HEADER

COMPND
COMPND
SOURCE
AUTHOR
REVDAT
JRNL
JRNL
JRNL
JRNL
JRNL
JRNL
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES

HYDROLASE(CARBOXYLIC ESTERASE)
18-AUG-93 1ACL
ACETYLCHOLINESTERASE (E.C.3.1.1.7) COMPLEXED WITH
2 DECAMETHONIUM
(TORPEDO CALIFORNICA)
J.L.SUSSMAN,M.HAREL,I.SILMAN
1 31-AUG-94 1ACL
0
AUTH M.HAREL,I.SCHALK,L.EHRET-SABATTIER,F.BOUET,
AUTH 2 M.GOELDNER,C.HIRTH,P.AXELSEN,I.SILMAN,J.SUSSMAN
TITL QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN
TITL 2 THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
REF
PROC.NAT.ACAD.SCI.USA
V. 90 9031 1993
REFN ASTM PNASA6 US ISSN 0027-8424
0040
1
1 REFERENCE 1
1 AUTH J.SUSSMAN,M.HAREL,F.FROLOW,C.OEFNER,A.GOLDMAN,
1 AUTH 2 L.TOKER,I.SILMAN
1 TITL ATOMIC STRUCTURE OF ACETYLCHOLINESTERASE FROM
1 TITL 2 TORPEDO CALIFORNICA: A PROTOTYPIC
1 TITL 3 ACETYLCHOLINE-BINDING PROTEIN
1 REF
SCIENCE
V. 253 872 1991
1 REFN ASTM SCIEAS US ISSN 0036-8075
0038
2
2 RESOLUTION. 2.8 ANGSTROMS.
3
3 REFINEMENT.
3 PROGRAM
X-PLOR
3 AUTHORS
BRUNGER
3 R VALUE
0.199
3 RMSD BOND DISTANCES
0.013 ANGSTROMS
3
3 NUMBER OF REFLECTIONS
23089
3 RESOLUTION RANGE
8.0 - 2.8 ANGSTROMS
3 DATA CUTOFF
3.0
SIGMA(F)
3 PERCENT COMPLETION
91.2
3
3 NUMBER OF PROTEIN ATOMS
4110
3 NUMBER OF SOLVENT ATOMS
66
4
4 DECAMETHONIUM, A BISQUATERNARY INHIBITOR OF
4 ACETYLCHOLINESTERASE, WAS SOAKED INTO NATIVE CRYSTALS.
5
5 THE STRUCTURE WAS REFINED STARTING FROM NATIVE COORDINATES
5 USING X-PLOR.
6
6 RESIDUES 1 - 3, 485 - 489, AND 536 - 537 ARE NOT SEEN AND
6 NO COORDINATES ARE SUPPLIED FOR THEM.
7
7 PDB ADVISORY NOTICE: SIDE CHAIN ATOMS ARE MISSING FOR THE
7 FOLLOWING RESIDUES: 26, 42, 46, 47, 49, 88, 89, 161, 257,
7 260, 268, 270, 284, 299, 325, 344, 350, 353, 365, 382,
7 434, 455, 461, 478, 484, 498, 499, 508, 515, 526, AND 533.
1
537 ASP ASP HIS SER GLU LEU LEU VAL ASN THR LYS SER GLY
2
537 LYS VAL MET GLY THR ARG VAL PRO VAL LEU SER SER HIS
3
537 ILE SER ALA PHE LEU GLY ILE PRO PHE ALA GLU PRO PRO
4
537 VAL GLY ASN MET ARG PHE ARG ARG PRO GLU PRO LYS LYS
5
537 PRO TRP SER GLY VAL TRP ASN ALA SER THR TYR PRO ASN
6
537 ASN CYS GLN GLN TYR VAL ASP GLU GLN PHE PRO GLY PHE
7
537 SER GLY SER GLU MET TRP ASN PRO ASN ARG GLU MET SER
8
537 GLU ASP CYS LEU TYR LEU ASN ILE TRP VAL PRO SER PRO
9
537 ARG PRO LYS SER THR THR VAL MET VAL TRP ILE TYR GLY

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61

SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
SEQRES
FTNOTE
FTNOTE
FTNOTE
FTNOTE
HET
FORMUL
FORMUL
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
HELIX
SHEET
SHEET
SHEET
SHEET
SHEET

10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
1
1
2
2
DME
2
3
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
1
2
3
4
5

537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537
537

GLY
ASN
VAL
ALA
LEU
ASN
ILE
HIS
ALA
SER
LEU
GLU
LEU
ILE
PHE
ASN
ASP
PHE
PHE
ASP
TRP
LEU
LEU
GLY
LEU
GLU
LEU
ILE
PRO
PHE
GLU
CYS
ALA

GLY
GLY
SER
LEU
LEU
ILE
PHE
ILE
ILE
VAL
GLY
LEU
ILE
PHE
PHE
PHE
GLU
SER
MET
LEU
MET
ASP
MET
THR
VAL
ILE
ASN
MET
ASN
THR
PRO
VAL
THR

PHE
LYS
LEU
HIS
ASP
GLN
GLY
LEU
LEU
SER
ARG
ILE
ASP
ARG
PRO
LYS
GLY
LYS
SER
GLY
ASP
ASP
HIS
TYR
TRP
GLU
TYR
HIS
GLU
THR
MET
PHE
GLU

TYR
TYR
SER
GLY
GLN
PHE
GLU
SER
GLN
VAL
ASN
HIS
VAL
PHE
THR
LYS
SER
ASP
GLY
LEU
ASP
ILE
PHE
LEU
PRO
PHE
THR
TYR
PRO
LYS
LYS
TRP
THR

SER
LEU
TYR
SER
ARG
PHE
SER
PRO
SER
ALA
LEU
CYS
GLU
SER
SER
THR
PHE
SER
VAL
ASP
ASN
VAL
VAL
TYR
GLU
VAL
ALA
TRP
HIS
GLU
VAL
ASN

GLY
ALA
ARG
GLN
MET
GLY
ALA
GLY
GLY
GLU
ASN
LEU
TRP
PHE
LEU
GLN
PHE
GLU
LYS
ALA
ASN
GLY
ASN
PHE
TRP
PHE
GLU
ALA
SER
GLN
HIS
GLN

SER
TYR
VAL
GLU
ALA
GLY
GLY
SER
SER
GLY
CYS
ARG
ASN
VAL
GLU
ILE
LEU
SER
LEU
VAL
GLY
ASP
LYS
PHE
MET
GLY
GLU
THR
GLN
LYS
GLN
PHE

SER
THR
GLY
ALA
LEU
ASP
GLY
ARG
PRO
ARG
ASN
GLU
VAL
PRO
SER
LEU
LEU
LYS
SER
THR
ILE
HIS
TYR
ASN
GLY
LEU
GLU
PHE
GLU
PHE
ARG
LEU

THR
GLU
ALA
PRO
GLN
PRO
ALA
ASP
ASN
ARG
LEU
LYS
LEU
VAL
MET
LEU
TYR
ILE
VAL
LEU
LYS
ASN
THR
HIS
VAL
PRO
ALA
ALA
SER
ILE
LEU
PRO

LEU
GLU
PHE
GLY
TRP
LYS
SER
LEU
CYS
ARG
ASN
LYS
PRO
ILE
LEU
GLY
GLY
SER
PRO
GLN
ASN
VAL
LYS
ARG
ILE
LEU
LEU
LYS
LYS
ASP
ARG
LYS

ASP
VAL
GLY
ASN
VAL
THR
VAL
PHE
PRO
ALA
SER
PRO
PHE
ASP
ASN
VAL
ALA
ARG
HIS
TYR
ARG
ILE
PHE
ALA
HIS
VAL
SER
THR
TRP
LEU
VAL
LEU

VAL
VAL
PHE
VAL
HIS
VAL
GLY
ARG
TRP
VAL
ASP
GLN
ASP
GLY
SER
ASN
PRO
GLU
ALA
THR
ASP
CYS
GLY
SER
GLY
LYS
ARG
GLY
PRO
ASN
GLN
LEU

TYR
LEU
LEU
GLY
ASP
THR
MET
ARG
ALA
GLU
GLU
GLU
SER
GLU
GLY
LYS
GLY
ASP
ASN
ASP
GLY
PRO
ASN
ASN
TYR
GLU
ARG
ASN
LEU
THR
MET
ASN

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
CIS PROLINE - PRO
104
1ACL
1ACL
RESIDUE DME 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE. 1ACL
999
18
DECAMETHONIUM
1ACL
DME
C16 H38 N2 ++
1ACL
HOH *66(H2 O1)
1ACL
H1 SER
79 ASN
85 1
1ACL
H2 GLY
132 GLU
139 1
1ACL
H3 VAL
168 ASN
183 1
1ACL
H4 SER
200 LEU
211 1
1ACL
H5 VAL
238 LEU
252 1
1ACL
H6 ASP
259 GLU
268 1
1ACL
H7 PRO
271 GLU
278 1
1ACL
H8 LEU
305 SER
311 1
1ACL
H9 SER
329 GLY
335 1
1ACL
H10 ARG
349 VAL
360 1
1ACL
H11 ASP
365 THR
376 1
1ACL
H12 GLY
384 TYR
411 1
1ACL
H13 GLU
443 PHE
448 1
1ACL
H14 ALA
460 THR
479 1
1ACL
H15 VAL
518 ALA
534 1
1ACL
S112 LEU
6 THR
10 0
1ACL
S112 GLY
13 MET
16 -1
1ACL
S112 THR
18 PRO
21 -1
1ACL
S112 HIS
26 PRO
34 -1
1ACL
S112 VAL
57 ALA
60 -1
1ACL

62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121

SHEET
SHEET
SHEET
SHEET
SHEET
SHEET
SHEET
SHEET
SHEET
SSBOND
SSBOND
SSBOND
SITE
CRYST1
ORIGX1
ORIGX2
ORIGX3
SCALE1
SCALE2
SCALE3
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6 S112 TYR
96 PRO 102 -1
7 S112 VAL 142 SER 147 -1
8 S112 THR 109 TYR 116 1
9 S112 THR 193 GLU 199 1
10 S112 ARG 220 SER 226 1
11 S112 GLN 318 TYR 334 1
12 S112 GLY 417 PHE 423 1
1 S2 2 PHE 502 LEU 505 0
2 S2 2 MET 510 GLN 514 -1
1 CYS
67
CYS
94
2 CYS
254
CYS
265
3 CYS
402
CYS
521
1 DME 4 SER 200 HIS 440 GLU 327 DME 999
113.050 113.050 137.500 90.00 90.00 120.00 P 31 2 1
1.000000 0.000000 0.000000
0.00000
0.000000 1.000000 0.000000
0.00000
0.000000 0.000000 1.000000
0.00000
0.008846 0.005107 0.000000
0.00000
0.000000 0.010214 0.000000
0.00000
0.000000 0.000000 0.007273
0.00000
1 N SER
4
-12.869 86.561 35.045 1.00 53.86
2 CA SER
4
-12.059 87.787 35.148 1.00 49.97
3 C SER
4
-10.886 87.324 36.008 1.00 45.96
4 O SER
4
-10.914 86.133 36.306 1.00 46.99
5 CB SER
4
-12.876 88.917 35.772 1.00 51.99
6 OG SER
4
-13.506 88.384 36.947 1.00 62.58
7 N GLU
5
-9.950 88.188 36.456 1.00 40.37
8 CA GLU
5
-8.839 87.592 37.215 1.00 37.01
9 C GLU
5
-9.187 86.683 38.421 1.00 34.63
10 O GLU
5
-8.515 85.708 38.715 1.00 36.80
11 CB GLU
5
-7.729 88.580 37.595 1.00 35.28
12 CG GLU
5
-6.471 87.811 38.048 1.00 31.16
13 CD GLU
5
-5.241 88.670 38.202 1.00 32.07
14 OE1 GLU
5
-5.300 89.782 38.755 1.00 32.64
15 OE2 GLU
5
-4.204 88.199 37.752 1.00 35.69
16 N LEU
6
-10.226 87.023 39.139 1.00 30.38
17 CA LEU
6
-10.579 86.198 40.259 1.00 30.93
18 C LEU
6
-11.684 85.207 39.899 1.00 34.54
19 O LEU
6
-12.294 84.632 40.784 1.00 39.63
20 CB LEU
6
-11.105 87.137 41.331 1.00 30.55
21 CG LEU
6
-10.034 87.678 42.270 1.00 35.34
22 CD1 LEU
6
-8.843 88.358 41.567 1.00 34.15
23 CD2 LEU
6
-10.746 88.615 43.245 1.00 32.08
24 N LEU
7
-12.006 84.997 38.637 1.00 34.21
25 CA LEU
7
-13.101 84.040 38.384 1.00 33.58
26 C LEU
7
-12.706 83.104 37.276 1.00 30.29
27 O LEU
7
-12.857 83.522 36.122 1.00 35.70
28 CB LEU
7
-14.359 84.826 37.940 1.00 34.48
29 CG LEU
7
-15.634 84.003 38.158 1.00 36.22
30 CD1 LEU
7
-16.852 84.909 38.042 1.00 38.92
31 CD2 LEU
7
-15.781 82.836 37.171 1.00 38.78
32 N VAL
8
-12.240 81.903 37.616 1.00 20.85
33 CA VAL
8
-11.817 80.986 36.581 1.00 19.32
34 C VAL
8
-12.886 79.934 36.360 1.00 20.30
35 O VAL
8
-13.782 79.740 37.180 1.00 23.52
36 CB VAL
8
-10.401 80.431 36.863 1.00 22.41
37 CG1 VAL
8
-9.574 81.419 37.702 1.00 17.49
38 CG2 VAL
8
-10.357 79.043 37.519 1.00 21.76
39 N ASN
9
-12.766 79.231 35.239 1.00 20.27
40 CA ASN
9
-13.720 78.204 34.839 1.00 22.40

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
6 1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100

C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O

ASN
ASN
ASN
ASN
ASN
ASN
THR
THR
THR
THR
THR
THR
THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY

9
9
9
9
9
9
10
10
10
10
10
10
10
11
11
11
11
11
11
11
11
11
12
12
12
12
12
12
13
13
13
13
14
14
14
14
14
14
14
14
14
15
15
15
15
15
15
15
16
16
16
16
16
16
16
16
17
17
17
17

-12.987
-11.978
-14.123
-15.589
-16.166
-16.198
-13.444
-12.644
-13.487
-14.699
-12.066
-13.107
-11.327
-12.880
-13.738
-14.844
-15.678
-12.941
-12.078
-10.612
-9.722
-9.267
-14.816
-15.814
-16.829
-17.951
-15.138
-14.608
-16.444
-17.397
-16.591
-15.363
-17.273
-16.514
-16.259
-17.095
-17.364
-17.580
-19.046
-19.884
-21.284
-15.137
-14.786
-14.255
-13.361
-13.741
-14.123
-12.394
-14.839
-14.528
-13.532
-13.840
-15.886
-15.935
-16.365
-14.800
-12.354
-11.342
-11.309
-12.340

76.912
76.847
78.503
78.351
77.386
79.351
75.877
74.665
73.527
73.697
74.474
74.176
75.703
72.342
71.285
70.894
70.080
70.074
70.392
70.047
69.860
68.460
71.450
71.152
72.286
72.070
70.888
69.564
73.499
74.595
75.856
75.842
76.979
78.218
78.429
77.989
79.416
79.484
79.262
80.530
80.347
79.131
79.442
80.872
81.268
78.456
76.970
78.564
81.605
82.984
83.020
82.592
83.520
84.938
85.941
86.876
83.531
83.624
84.996
85.659

34.815
34.133
33.396
33.256
33.751
32.612
35.504
35.506
35.065
34.994
36.924
37.864
37.484
34.859
34.393
35.331
34.958
33.974
32.745
32.998
31.770
31.719
36.563
37.587
37.665
38.100
38.980
39.133
37.261
37.351
37.535
37.471
37.761
37.930
39.384
40.182
37.498
35.989
35.601
35.823
35.420
39.691
41.061
41.131
40.387
41.669
41.595
41.012
42.078
42.446
43.652
44.754
42.914
43.433
42.006
41.841
43.467
44.529
45.136
45.202

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

21.45
24.99
27.57
37.66
41.60
42.27
17.15
12.91
14.38
18.42
14.24
12.11
12.99
7.64
7.45
12.20
12.22
2.00
2.00
10.29
13.81
11.91
17.69
16.60
20.77
22.01
12.92
11.75
23.23
24.90
29.50
29.11
33.19
31.71
30.57
27.47
34.67
43.23
49.59
56.99
60.17
25.11
21.24
22.07
23.31
15.13
18.29
15.58
20.12
22.01
18.89
21.07
29.76
37.97
44.79
40.04
20.07
21.29
23.90
27.97

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160

N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG
N

THR
THR
THR
THR
THR
THR
THR
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
HIS

18
18
18
18
18
18
18
19
19
19
19
19
19
19
19
19
19
19
20
20
20
20
20
20
20
21
21
21
21
21
21
21
22
22
22
22
22
22
22
23
23
23
23
23
23
23
23
24
24
24
24
24
24
25
25
25
25
25
25
26

-10.125
-9.982
-8.631
-7.701
-9.958
-10.975
-10.271
-8.503
-7.171
-6.634
-7.380
-7.220
-7.604
-6.358
-5.717
-4.485
-3.720
-3.995
-5.404
-4.908
-3.619
-2.881
-4.815
-6.129
-3.593
-3.382
-2.209
-1.057
-1.215
-2.332
-3.392
-4.195
0.101
1.245
2.276
2.448
1.438
0.998
2.855
2.913
3.942
3.336
2.242
5.235
5.530
6.792
5.626
4.023
3.507
2.556
2.365
4.768
5.842
1.967
1.162
-0.064
-0.676
2.087
3.422
-0.419

85.458
86.771
87.371
86.684
86.556
85.621
87.796
88.663
89.258
89.186
89.528
90.770
91.080
91.118
92.440
92.619
91.598
93.848
88.753
88.735
89.519
89.309
87.310
86.551
86.500
90.460
91.322
90.475
89.468
92.379
91.807
90.728
90.889
90.096
91.102
91.608
88.781
88.808
88.227
91.448
92.430
93.694
94.121
91.823
90.418
89.698
90.503
94.249
95.484
95.286
96.208
96.187
95.975
94.095
93.807
93.012
93.171
92.954
93.459
92.127

45.556
46.215
46.012
45.636
47.754
48.102
48.610
46.267
46.178
47.597
48.507
45.875
44.432
43.534
43.542
43.013
42.620
42.911
47.803
49.169
49.081
48.128
49.762
49.470
49.321
49.999
49.895
50.268
50.949
50.982
51.927
51.156
49.861
50.227
50.010
48.923
49.430
47.978
49.553
51.107
51.066
50.488
50.852
50.482
51.124
50.614
52.653
49.540
48.994
47.833
47.042
48.474
49.406
47.738
46.572
46.887
47.921
45.687
45.648
45.940

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

26.90
30.93
30.46
33.88
30.73
40.21
39.40
32.72
36.68
36.23
35.77
40.77
50.58
63.96
67.81
72.20
74.61
76.91
33.51
33.23
32.23
36.68
33.11
33.27
29.21
28.72
26.97
26.02
27.00
24.85
31.89
28.50
21.11
20.92
21.94
19.25
19.22
20.93
19.57
26.54
27.48
32.27
31.48
25.73
27.15
27.20
32.39
38.07
43.56
43.69
46.69
47.98
56.13
39.51
35.72
34.41
39.55
35.21
38.64
31.32

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220

CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG

HIS
HIS
HIS
HIS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO

26
26
26
26
27
27
27
27
27
27
27
27
28
28
28
28
28
28
29
29
29
29
29
30
30
30
30
30
30
30
30
30
30
30
31
31
31
31
31
31
31
31
32
32
32
32
33
33
33
33
33
33
33
33
34
34
34
34
34
34

-1.548
-1.261
-0.246
-2.775
-2.218
-2.183
-3.626
-4.464
-1.415
0.022
-2.027
0.731
-3.959
-5.372
-5.308
-4.299
-5.864
-5.263
-6.342
-6.280
-7.565
-8.577
-6.183
-7.526
-8.787
-8.801
-8.137
-8.842
-8.737
-7.476
-9.897
-7.396
-9.815
-8.560
-9.484
-9.485
-10.690
-11.827
-9.500
-8.200
-6.905
-8.248
-10.427
-11.576
-12.185
-13.352
-11.452
-12.150
-12.326
-11.377
-11.307
-11.134
-11.901
-9.873
-13.527
-13.758
-13.192
-13.185
-15.303
-15.862

91.236
89.940
89.749
91.899
89.059
87.793
87.460
88.156
86.902
86.789
85.531
85.557
86.432
86.060
84.797
84.086
85.690
86.404
84.487
83.268
82.583
83.258
83.590
81.272
80.546
79.609
78.566
79.788
80.724
81.156
81.257
82.163
82.257
82.723
80.021
79.135
78.179
78.482
79.961
80.716
80.146
82.188
76.949
76.085
75.430
75.075
75.219
74.541
73.035
72.360
74.669
76.118
73.852
76.253
72.492
71.060
70.129
70.503
70.912
72.205

46.045
45.249
44.576
45.504
45.371
44.748
44.648
45.211
45.707
45.242
45.938
45.839
43.906
43.824
44.650
44.561
42.382
41.273
45.435
46.219
45.976
45.872
47.717
45.857
45.632
46.821
46.842
44.238
43.021
42.579
42.429
41.625
41.470
41.089
47.876
49.029
49.046
48.718
50.332
50.717
50.141
50.369
49.426
49.553
48.381
48.482
47.294
46.198
46.556
46.938
44.932
44.500
43.785
43.636
46.411
46.739
45.692
44.546
46.697
46.057

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

30.23
28.20
28.50
27.33
19.73
16.33
21.80
25.55
12.68
13.93
19.57
13.34
25.76
27.58
26.58
25.12
34.46
41.15
22.56
21.71
19.27
16.03
23.62
17.68
20.35
20.17
20.78
21.43
17.46
12.49
13.44
9.08
10.55
10.21
16.17
16.34
19.38
23.58
10.74
6.41
3.70
2.00
19.63
20.42
20.19
25.33
15.81
10.65
9.82
10.56
4.64
2.66
5.85
11.10
7.38
8.17
5.83
15.66
8.04
7.48

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280

CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
N
CA
C
O
CB
N
CA
C
O

PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
MET
MET
MET
MET

34
35
35
35
35
35
35
35
35
35
35
35
36
36
36
36
36
37
37
37
37
37
37
37
37
37
38
38
38
38
38
38
38
39
39
39
39
39
39
39
40
40
40
40
40
40
40
41
41
41
41
42
42
42
42
42
43
43
43
43

-14.704
-12.782
-12.265
-12.747
-12.445
-10.772
-10.134
-10.053
-9.553
-9.385
-8.877
-8.796
-13.504
-13.986
-15.291
-15.701
-12.974
-15.968
-17.252
-17.081
-16.359
-18.161
-18.635
-19.638
-19.206
-20.841
-17.800
-17.689
-17.912
-18.952
-18.890
-19.509
-18.988
-16.936
-17.044
-17.804
-17.281
-15.603
-14.849
-15.627
-19.022
-19.770
-20.683
-21.181
-20.468
-19.381
-21.337
-20.871
-21.754
-21.444
-20.445
-22.320
-22.166
-20.827
-20.208
-23.216
-20.377
-19.113
-17.934
-16.787

73.221
68.920
68.064
66.681
65.816
67.989
67.461
66.095
68.333
65.611
67.846
66.479
66.428
65.084
65.256
66.383
64.233
64.166
64.386
64.312
63.398
63.223
63.357
64.493
65.646
64.213
65.163
65.169
63.765
63.214
65.956
66.644
65.897
63.171
61.766
61.622
61.168
61.343
62.624
63.748
62.052
61.967
60.757
60.134
63.271
64.349
63.514
60.430
59.345
58.022
57.441
57.559
56.253
56.125
55.084
56.091
57.251
57.186
57.180
57.175

45.968
46.012
44.959
45.066
44.257
44.941
46.190
46.412
47.103
47.524
48.205
48.415
46.101
46.246
46.934
47.199
46.951
47.192
47.823
49.298
49.676
47.391
45.936
45.721
45.668
45.605
50.108
51.572
52.045
51.757
52.101
50.899
49.663
52.698
53.038
54.296
55.302
53.283
53.512
52.862
54.264
55.451
55.539
54.595
55.516
55.641
54.275
56.826
57.227
56.648
57.045
55.718
55.044
54.324
54.202
53.971
53.796
53.112
54.063
53.639

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

7.07
2.27
2.00
5.05
11.82
2.00
12.03
15.73
19.51
16.08
20.53
16.49
5.07
5.61
7.91
8.50
4.59
9.63
16.38
18.45
26.68
22.81
26.38
26.45
28.80
28.48
18.13
11.48
6.86
6.63
11.08
19.31
22.38
7.33
6.95
9.23
17.39
3.36
2.91
3.17
5.39
7.08
18.17
18.25
2.73
2.00
5.70
25.38
29.07
28.84
35.66
28.87
27.27
28.43
29.50
28.29
28.74
27.70
24.30
24.98

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340

CB
CG
SD
CE
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
NE
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD

MET
MET
MET
MET
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO

43
43
43
43
44
44
44
44
44
44
44
44
44
44
44
45
45
45
45
45
45
45
45
45
45
45
46
46
46
46
46
46
46
46
47
47
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
50
50
50
50
50
50
50

-19.017
-19.815
-19.411
-20.674
-18.165
-17.008
-16.177
-16.754
-17.426
-16.223
-16.579
-17.369
-17.865
-17.577
-18.663
-14.843
-13.870
-13.849
-13.134
-14.088
-14.301
-13.313
-15.476
-13.500
-15.666
-14.675
-14.655
-14.687
-13.710
-13.229
-16.050
-17.177
-17.044
-17.365
-13.428
-12.458
-13.114
-14.334
-11.992
-11.923
-12.291
-12.864
-13.596
-13.126
-11.672
-10.395
-10.841
-14.767
-15.449
-14.981
-14.723
-17.009
-17.818
-14.956
-14.637
-15.800
-16.940
-14.453
-15.101
-15.264

58.388
58.247
59.756
60.910
57.263
57.236
55.996
54.963
57.231
57.302
57.227
58.365
58.512
57.664
59.533
56.165
55.112
54.548
53.589
53.907
54.266
54.930
53.912
55.227
54.190
54.848
55.121
54.639
55.430
56.441
54.920
54.103
52.640
52.420
54.968
55.742
57.089
57.203
54.944
53.434
58.095
59.355
59.233
58.543
60.315
59.482
58.079
59.868
59.844
61.167
62.045
59.926
58.615
61.339
62.616
63.518
63.080
62.308
60.951
60.302

52.161
50.860
49.901
50.563
55.358
56.223
55.883
55.592
57.735
58.715
60.188
60.535
61.754
62.729
61.975
55.906
55.644
54.222
53.946
56.586
58.034
58.747
58.667
60.086
60.016
60.722
53.324
51.936
51.177
51.664
51.287
51.923
51.554
50.151
49.966
49.197
48.779
48.716
47.966
48.216
48.482
48.075
46.761
45.875
47.947
48.251
48.635
46.657
45.377
44.835
45.652
45.476
45.587
43.504
42.897
43.037
43.051
41.408
41.167
42.547

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

35.88
37.22
53.08
47.35
21.05
22.57
17.74
12.95
25.81
26.45
25.40
29.59
30.12
30.77
26.20
17.86
20.96
23.31
23.12
22.96
24.50
29.81
28.22
32.35
30.10
35.09
25.93
24.01
20.59
22.02
28.40
29.37
36.01
40.30
16.54
18.33
18.75
18.21
14.90
26.60
16.98
19.79
20.69
20.90
17.47
20.02
17.78
21.17
21.68
23.18
27.41
29.65
30.46
22.33
19.91
19.46
22.52
19.55
25.25
25.42

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400

N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O

LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
TRP
TRP
TRP
TRP

51
51
51
51
51
51
51
51
51
52
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
54
54
54
54
54
55
55
55
55
55
55
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58

-15.495
-16.538
-17.319
-16.766
-15.798
-16.629
-17.752
-18.476
-19.321
-18.611
-19.500
-19.502
-19.502
-20.949
-21.203
-22.732
-23.201
-23.773
-19.484
-19.259
-20.410
-21.507
-19.201
-19.027
-19.614
-20.169
-21.199
-21.593
-20.952
-20.714
-19.287
-18.936
-18.082
-17.598
-17.007
-17.775
-15.684
-16.441
-15.406
-22.723
-23.309
-23.068
-22.880
-24.834
-25.137
-23.128
-22.900
-21.445
-20.668
-21.073
-19.709
-19.598
-20.311
-19.197
-20.071
-17.722
-18.673
-18.349
-17.495
-16.610

64.798
65.796
66.136
66.794
67.084
68.344
68.202
69.547
69.560
65.733
66.052
67.596
68.354
65.719
64.302
64.052
62.692
62.836
68.043
69.452
70.285
69.779
69.461
68.007
67.184
71.564
72.501
73.519
73.728
73.253
73.820
75.121
73.177
75.290
74.123
71.939
73.816
71.657
72.553
74.182
75.255
76.513
76.443
75.131
74.127
77.675
78.922
79.010
78.099
80.144
80.207
79.846
80.354
81.568
82.697
81.753
78.916
78.496
79.641
80.175

43.106
43.261
42.019
41.142
43.627
43.792
44.815
44.956
46.126
41.994
40.863
40.598
41.557
41.178
41.725
41.778
42.365
43.706
39.326
38.992
39.387
39.508
37.467
37.025
38.158
39.521
39.948
38.841
37.808
41.261
41.172
40.731
41.490
40.716
41.148
42.007
41.484
42.322
42.031
39.155
38.352
39.165
40.374
38.202
37.240
38.487
39.207
39.615
39.349
40.194
40.582
42.064
42.911
40.149
40.635
40.502
42.352
43.716
44.322
43.645

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

21.73
22.72
22.99
22.47
24.99
23.85
22.96
28.39
29.37
26.50
28.61
28.87
30.21
31.79
35.82
42.03
48.92
48.58
28.40
23.92
21.32
23.79
30.21
31.88
32.22
22.23
29.09
35.85
37.26
20.57
11.69
9.98
2.00
7.71
9.04
2.00
7.15
6.53
7.72
43.47
44.98
45.94
48.70
41.67
49.08
45.82
42.86
40.52
45.16
34.50
29.78
32.25
31.38
22.61
23.27
24.86
35.27
32.05
32.91
31.68

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460

CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB

TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASN
ASN
ASN
ASN
ASN

58
58
58
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
60
60
60
60
60
61
61
61
61
61
61
62
62
62
62
62
62
62
63
63
63
63
63
63
63
63
63
63
63
63
64
64
64
64
64
64
64
65
65
65
65
65

-17.449
-17.070
-15.989
-17.795
-16.053
-17.132
-18.906
-17.656
-19.394
-18.777
-17.709
-16.965
-15.764
-15.807
-17.842
-17.379
-18.062
-16.221
-14.649
-13.453
-12.718
-11.561
-12.566
-13.375
-12.664
-12.362
-11.816
-13.526
-14.880
-12.755
-12.597
-11.942
-12.261
-14.014
-14.864
-14.626
-10.978
-10.392
-11.440
-12.412
-9.377
-8.107
-7.085
-7.879
-5.798
-6.592
-5.520
-4.198
-11.204
-12.205
-12.260
-11.462
-11.825
-10.331
-10.061
-13.240
-13.218
-11.950
-11.319
-14.398

77.281
76.740
77.154
75.761
76.470
75.609
75.016
74.694
74.104
73.951
79.987
81.099
80.685
80.516
81.853
83.278
84.011
83.689
80.593
80.140
81.243
81.498
79.529
81.893
83.019
82.847
83.733
84.256
83.934
81.666
81.360
79.984
78.969
81.435
80.589
82.823
79.937
78.598
77.557
77.857
78.571
79.212
78.463
80.539
78.977
81.065
80.264
80.694
76.327
75.327
74.810
75.137
74.198
74.419
75.897
73.938
73.368
72.497
72.134
72.406

43.589
44.942
45.778
45.611
46.951
46.902
45.274
47.791
46.187
47.425
45.621
46.226
46.994
48.198
47.243
47.492
48.183
46.900
46.322
46.979
47.650
47.357
45.901
48.574
49.228
50.723
51.382
49.019
49.336
51.245
52.660
52.905
52.297
53.203
52.439
53.050
53.811
53.967
54.385
55.049
55.069
54.714
54.199
55.034
54.148
54.958
54.571
54.672
54.034
54.327
55.783
56.648
53.333
53.012
53.277
56.052
57.410
57.506
56.502
57.702

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

32.24
32.20
29.46
28.22
28.88
29.40
30.16
29.01
26.79
28.62
29.36
24.67
24.71
28.29
26.24
26.61
24.01
18.65
23.68
20.37
21.25
21.25
21.59
23.61
28.04
28.83
26.21
29.01
37.68
27.35
24.76
21.77
20.45
23.25
27.86
27.55
17.91
16.65
12.84
17.88
14.20
17.07
24.84
24.33
28.00
29.35
26.06
26.97
5.89
13.68
13.63
13.32
13.56
19.07
11.09
14.96
19.79
22.37
27.56
19.29

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520

CG
OD1
ND2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG

ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS
CYS
CYS
CYS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP

65
65
65
66
66
66
66
66
66
66
66
67
67
67
67
67
67
68
68
68
68
68
68
68
68
68
69
69
69
69
69
69
69
69
69
70
70
70
70
70
70
70
70
70
70
70
70
71
71
71
71
71
71
71
72
72
72
72
72
72

-15.658
-15.617
-16.787
-11.570
-10.386
-10.910
-12.083
-9.553
-8.745
-7.570
-9.348
-10.047
-10.572
-10.747
-10.124
-9.557
-9.778
-11.564
-11.696
-10.345
-9.797
-12.657
-14.112
-14.422
-13.638
-15.567
-9.814
-8.500
-8.229
-8.978
-7.432
-7.550
-6.486
-5.303
-6.954
-7.118
-6.714
-6.184
-5.241
-5.556
-4.860
-3.822
-5.253
-3.202
-4.645
-3.627
-3.039
-6.731
-6.225
-5.315
-5.701
-7.417
-7.017
-8.391
-4.143
-3.227
-3.435
-3.308
-1.799
-0.723

73.192
74.385
72.501
72.145
71.300
69.920
69.648
71.712
72.949
73.025
73.953
68.988
67.653
67.327
68.033
66.708
66.545
66.292
65.882
65.346
64.565
64.729
65.188
65.997
66.031
66.673
65.717
65.232
65.541
66.252
65.991
67.509
68.223
68.299
68.718
64.994
65.217
66.636
67.016
64.257
64.407
65.312
63.657
65.487
63.840
64.771
65.015
67.396
68.744
68.713
68.162
69.641
71.090
69.499
69.355
69.299
70.367
71.569
69.443
69.404

57.932
58.241
57.735
58.742
58.896
59.051
59.184
60.078
59.775
60.048
59.177
59.040
59.148
60.611
61.380
58.420
56.600
60.958
62.340
62.767
62.007
62.420
62.364
63.591
64.521
63.561
63.943
64.315
65.772
66.439
63.491
63.599
62.797
63.118
61.678
66.244
67.622
67.833
67.163
67.835
69.164
69.289
70.270
70.518
71.494
71.628
72.850
68.789
69.010
70.216
71.238
69.284
69.455
68.122
70.141
71.267
72.318
72.094
70.760
71.857

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

21.65
14.58
22.31
19.99
13.81
13.91
16.50
13.96
17.34
16.82
19.17
15.13
18.53
13.29
12.26
21.97
20.01
9.45
10.67
17.96
21.02
5.62
14.59
13.51
9.19
9.32
19.90
18.94
21.37
21.13
12.63
9.40
11.63
14.71
12.47
19.68
20.86
21.93
24.51
25.36
31.56
38.12
31.38
42.82
33.74
39.11
45.55
19.48
15.79
18.79
21.54
9.53
4.89
14.50
16.23
18.98
23.39
31.60
23.48
22.45

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580

OD1
OD2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG
N

ASP
ASP
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
GLY

72
72
73
73
73
73
73
73
73
73
73
74
74
74
74
74
74
74
74
74
75
75
75
75
75
75
75
75
75
75
75
76
76
76
76
76
76
76
77
77
77
77
78
78
78
78
78
78
78
78
78
78
78
79
79
79
79
79
79
80

-0.551
-0.095
-3.682
-3.898
-2.818
-2.997
-5.264
-6.420
-7.758
-7.908
-8.633
-1.663
-0.670
-0.161
0.098
0.437
1.640
1.418
1.237
1.407
0.017
0.539
-0.350
0.037
1.945
2.926
3.057
3.753
4.006
4.685
4.813
-1.599
-2.576
-2.084
-1.294
-3.759
-3.594
-2.132
-2.603
-2.187
-0.748
-0.449
0.174
1.536
1.512
1.022
2.277
3.711
4.480
4.342
5.854
5.729
6.496
2.071
2.067
2.831
2.449
2.668
3.927
3.915

68.360
70.440
69.897
70.832
70.656
70.887
70.530
70.973
70.605
69.456
71.476
70.206
70.016
71.340
71.430
69.163
68.959
67.883
66.748
68.261
72.368
73.659
74.775
75.530
73.887
72.782
71.694
72.855
70.703
71.863
70.781
74.830
75.760
77.189
77.689
75.662
74.333
73.960
77.851
79.215
79.320
80.158
78.451
78.495
78.403
77.422
77.249
77.265
78.381
76.133
78.336
76.111
77.192
79.441
79.383
78.166
77.571
80.631
80.785
77.800

72.512
72.040
73.534
74.631
75.683
76.860
75.244
74.357
74.994
75.433
75.046
75.259
76.282
76.884
78.072
75.680
76.599
77.608
77.228
78.871
76.052
76.522
75.993
75.102
75.940
76.226
75.382
77.325
75.615
77.566
76.713
76.505
75.974
75.828
76.617
76.922
77.642
77.537
74.792
74.539
74.006
73.158
74.480
74.004
72.515
71.939
74.474
74.115
74.348
73.665
74.194
73.493
73.780
71.908
70.447
69.910
68.928
69.811
70.445
70.562

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

23.25
20.86
22.13
23.40
24.04
27.87
20.58
26.44
29.92
27.79
33.08
20.13
18.02
18.82
20.60
13.69
22.51
20.56
27.47
25.68
20.13
15.49
17.74
13.13
15.10
14.39
19.55
20.01
16.36
20.68
15.91
18.12
19.33
22.39
25.31
15.40
14.96
16.56
25.36
26.92
27.92
32.38
22.51
11.99
11.30
7.81
2.15
2.00
2.00
4.12
2.00
2.00
2.00
9.36
9.84
7.56
11.69
6.51
17.01
4.19

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640

CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB

GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
MET
MET
MET
MET
MET
MET
MET
MET
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASN
ASN
ASN
ASN
ASN

80
80
80
81
81
81
81
81
81
82
82
82
82
82
82
82
82
82
83
83
83
83
83
83
83
83
84
84
84
84
84
84
84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86
86
86
86
86
87
87
87
87
87

4.683
3.829
4.068
2.791
1.946
0.822
0.513
1.217
2.268
0.195
-0.993
-0.792
-1.701
-1.463
-1.882
-3.221
-3.832
-3.661
0.432
0.861
0.297
-0.179
2.364
3.076
4.807
5.106
0.440
0.054
-1.243
-1.487
0.977
2.414
3.092
3.299
4.356
4.548
3.183
5.620
4.282
5.487
-2.015
-3.324
-4.293
-4.066
-3.860
-3.850
-3.584
-4.141
-5.399
-6.381
-6.991
-7.260
-7.482
-7.304
-5.834
-7.249
-7.794
-9.124
-9.548
-6.764

76.676
75.473
74.816
75.203
74.036
74.282
73.486
73.623
73.332
75.417
75.932
76.157
76.033
77.260
77.199
76.497
76.091
76.346
76.481
76.712
75.785
76.137
76.432
77.511
77.039
77.894
74.549
73.435
72.858
71.772
72.216
72.632
72.851
72.895
73.237
73.285
72.867
73.616
73.202
73.570
73.473
72.868
73.389
74.492
73.361
72.346
71.180
72.812
72.634
73.031
74.347
74.556
71.970
71.295
71.506
75.197
76.504
76.836
77.970
77.589

70.068
69.742
68.757
70.543
70.301
69.394
68.510
71.590
72.483
69.713
69.025
67.512
66.714
69.707
71.198
71.383
70.394
72.525
67.147
65.791
64.793
63.722
65.750
64.984
65.130
66.699
65.209
64.406
64.724
64.201
64.662
64.810
66.029
63.758
65.741
64.384
62.382
63.577
61.611
62.201
65.616
65.909
64.853
64.359
67.279
68.362
68.157
69.555
64.589
63.599
63.948
65.124
63.650
64.973
65.372
62.921
63.179
62.587
62.684
62.946

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

5.87
8.15
11.15
10.76
17.53
19.01
24.57
21.15
35.51
21.29
23.91
17.87
20.39
31.96
34.66
43.65
44.76
51.37
12.41
6.96
7.45
12.17
5.23
10.05
9.66
25.52
5.77
9.37
14.37
18.65
15.07
19.12
19.94
16.44
23.03
17.54
16.03
18.80
20.90
22.45
14.23
15.55
13.49
12.42
23.99
22.42
33.07
24.46
10.86
11.19
12.99
16.51
6.92
7.74
11.59
16.02
13.36
15.76
22.08
5.99

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700

CG
OD1
ND2
N
CA
C
O
CB
CG
CD
NE
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG

ASN
ASN
ASN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU

87
87
87
88
88
88
88
88
88
88
88
89
89
89
89
89
89
90
90
90
90
90
90
90
90
91
91
91
91
91
91
92
92
92
92
92
92
92
92
92
93
93
93
93
93
93
93
93
94
94
94
94
94
94
95
95
95
95
95
95

-6.404
-6.996
-5.440
-9.801
-11.133
-11.935
-11.341
-11.166
-11.299
-9.971
-10.179
-13.265
-13.943
-13.597
-13.435
-15.485
-16.105
-13.435
-13.105
-14.389
-15.454
-12.557
-11.376
-10.394
-11.742
-14.333
-15.584
-15.202
-14.082
-16.207
-17.465
-16.124
-15.815
-15.730
-14.889
-16.809
-16.352
-17.218
-18.434
-16.651
-16.635
-16.552
-15.298
-15.334
-17.810
-17.775
-16.692
-18.838
-14.225
-13.040
-12.120
-10.995
-12.221
-11.739
-12.594
-11.745
-11.791
-12.748
-12.166
-11.863

77.736
77.049
78.618
75.920
76.264
75.143
74.166
76.399
77.832
78.620
80.042
75.238
74.109
72.805
72.726
74.295
74.798
71.784
70.511
69.991
70.308
69.639
70.329
69.131
68.256
69.231
68.726
67.477
67.383
69.711
69.208
66.496
65.303
65.779
65.377
64.158
63.207
61.964
62.060
60.885
66.695
67.283
68.175
69.272
68.133
69.037
69.248
69.519
67.728
68.567
68.425
68.885
68.204
66.430
67.785
67.612
68.822
68.933
66.322
65.094

61.544
60.751
61.228
61.933
61.383
61.988
62.444
59.847
59.282
59.292
58.993
62.040
62.695
61.992
60.780
62.813
61.505
62.798
62.214
61.642
62.147
63.326
64.021
65.001
65.800
60.579
60.077
59.367
58.902
59.065
58.575
59.284
58.525
57.075
56.297
58.725
59.832
59.877
59.705
60.071
56.716
55.377
55.382
55.903
55.094
53.854
53.311
53.441
54.773
54.859
53.690
53.786
56.121
56.322
52.582
51.399
50.463
49.716
50.698
51.544

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

10.10
15.89
2.00
17.62
16.12
21.26
28.65
15.54
25.07
29.19
34.09
19.62
21.52
20.47
22.70
28.77
34.58
17.93
13.53
14.36
18.45
11.67
12.81
19.14
20.69
13.96
16.83
15.64
19.12
19.47
21.51
10.59
10.85
11.51
11.63
11.05
12.37
15.25
15.50
21.29
12.45
14.33
11.76
11.08
17.06
21.70
25.44
20.45
12.71
17.50
20.43
18.99
16.49
17.14
23.15
17.81
16.12
24.49
8.12
2.00

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760

CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG1
CG2
N

LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO

95
95
96
96
96
96
96
96
96
96
96
96
96
96
97
97
97
97
97
97
97
97
98
98
98
98
98
98
98
98
99
99
99
99
99
99
99
99
100
100
100
100
100
100
100
100
100
100
100
100
100
100
101
101
101
101
101
101
101
102

-12.448
-10.367
-10.785
-10.718
-9.257
-8.282
-11.304
-12.770
-13.235
-13.695
-14.589
-15.051
-15.517
-16.880
-9.085
-7.748
-7.763
-8.844
-7.590
-7.517
-8.573
-6.129
-6.572
-6.359
-5.306
-4.388
-5.856
-6.921
-6.929
-7.875
-5.442
-4.477
-4.123
-5.040
-5.104
-5.910
-3.995
-6.397
-2.850
-2.506
-1.910
-0.885
-1.383
-1.959
-2.428
-2.199
-2.966
-2.865
-2.029
-3.254
-2.450
-3.066
-2.518
-1.944
-1.391
-1.824
-2.988
-2.381
-3.626
-0.373

63.892
64.894
69.719
70.906
71.289
70.789
72.035
71.856
71.117
72.438
70.925
72.297
71.510
71.338
72.196
72.644
74.069
74.620
72.561
71.082
70.783
70.732
74.660
76.102
76.370
75.563
76.503
76.249
75.271
77.158
77.423
77.723
79.135
79.947
77.592
76.274
77.607
75.897
79.452
80.877
81.177
80.566
81.177
81.257
82.424
80.194
82.107
80.773
78.832
79.969
78.049
78.607
82.086
82.414
83.878
84.728
82.168
82.373
80.759
84.134

50.884
51.740
50.523
49.707
49.348
49.879
50.522
50.770
51.826
49.946
52.021
50.152
51.183
51.360
48.403
48.012
48.269
48.457
46.483
46.063
45.033
45.518
48.230
48.383
47.311
47.230
49.788
50.857
51.588
50.976
46.468
45.377
45.490
45.631
43.933
43.787
42.870
42.384
45.413
45.499
44.182
43.878
46.525
47.908
48.527
48.796
49.737
49.937
48.721
50.953
49.761
50.858
43.393
42.062
42.101
42.899
40.953
39.579
41.069
41.240

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

2.00
2.00
10.76
8.77
9.58
12.79
9.15
11.08
17.63
14.51
16.38
12.18
11.95
22.85
11.46
12.72
14.01
15.22
11.96
16.19
16.49
20.98
16.00
18.36
17.78
15.59
23.25
30.14
34.44
33.80
20.65
18.79
16.28
23.50
18.04
22.45
21.29
16.41
11.75
20.30
28.08
34.28
16.95
15.37
15.74
12.89
19.24
8.41
14.42
6.87
10.81
14.23
33.85
30.81
31.21
28.89
26.67
24.38
28.57
25.84

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820

CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
N

PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
THR

102
102
102
102
102
102
103
103
103
103
103
103
104
104
104
104
104
104
104
105
105
105
105
105
105
105
105
105
105
105
106
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
109
109
109
109
109
109
109
110

-0.064
-1.140
-2.145
1.260
1.882
0.698
-0.856
-1.631
-0.491
0.315
-2.362
-3.510
-0.369
-1.127
-1.015
0.055
-0.473
0.314
0.593
-2.183
-2.297
-1.275
-1.270
-3.691
-3.944
-5.323
-6.381
-7.649
-7.946
-8.638
-0.404
0.577
-0.107
-1.225
1.628
0.994
-0.275
0.590
0.040
0.033
-0.991
0.836
0.872
-0.532
-1.206
-2.145
1.244
1.487
2.756
3.732
1.781
0.629
2.765
3.990
4.152
3.303
3.859
5.155
2.826
5.224

85.515
86.334
85.874
85.454
84.109
83.201
87.638
88.685
89.438
89.918
89.699
89.111
89.534
88.783
87.270
86.719
89.175
90.458
90.460
86.662
85.222
84.839
85.485
84.851
83.348
83.016
83.790
83.776
83.108
84.419
83.873
83.500
82.651
82.202
82.703
82.357
83.208
82.435
81.634
80.202
79.528
81.758
83.176
83.779
84.470
85.505
79.783
78.418
78.475
78.685
77.552
77.461
78.279
78.357
77.122
76.241
79.632
80.039
79.615
77.066

40.943
40.210
39.668
40.202
40.583
40.896
40.244
39.587
39.004
39.786
40.491
41.098
37.673
36.679
36.735
36.997
35.337
35.604
37.113
36.427
36.370
35.334
34.296
35.852
35.830
35.281
35.949
35.466
34.361
36.080
35.603
34.603
33.530
33.734
35.393
36.764
36.889
32.394
31.299
31.689
31.624
29.979
29.391
29.129
30.342
29.929
32.076
32.477
33.195
32.498
31.253
30.412
34.522
35.321
36.153
36.027
36.158
36.552
37.308
36.975

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

25.37
28.90
26.99
19.54
18.75
23.16
34.95
41.14
46.60
47.08
40.61
46.94
49.31
47.96
44.03
43.89
50.71
52.37
49.55
36.78
30.20
27.87
31.62
25.18
25.49
32.03
37.85
40.06
42.58
40.27
26.21
27.72
29.02
32.95
30.51
30.28
26.30
27.82
27.87
26.17
23.42
29.47
39.95
46.85
53.60
58.67
26.69
26.10
24.99
26.49
27.21
38.78
25.69
20.75
16.94
16.51
20.49
20.29
15.25
13.40

1
1
1
1
1
1
1

1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL
1ACL

902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880

CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2

THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR

110
110
110
110
110
110
111
111
111
111
111
111
111
112
112
112
112
112
112
112
112
113
113
113
113
113
113
113
114
114
114
114
114
114
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
116
116
116
116
116
116

5.470
4.429
3.950
6.861
7.798
7.461
4.097
3.106
3.769
4.562
1.996
0.841
1.486
3.427
3.941
2.721
1.940
4.899
5.937
7.523
7.185
2.538
1.394
1.984
2.869
0.808
-0.570
0.706
1.497
1.971
1.056
-0.117
1.957
2.152
1.141
3.347
1.679
3.020
4.630
4.016
5.606
5.293
1.626
0.922
1.505
2.708
1.246
1.059
0.407
1.384
0.620
1.016
1.195
0.622
-0.051
-1.409
-1.659
-2.429
-2.898
-3.670

75.896
75.844
76.894
75.966
76.593
74.587
74.632
74.429
73.618
72.745
73.548
73.384
74.084
73.899
73.160
72.837
73.746
74.041
74.741
74.655
75.723
71.559
71.109
70.731
69.892
69.789
69.325
69.880
71.285
71.025
70.043
70.304
72.397
72.287
72.393
72.015
72.184
71.932
71.820
71.626
71.534
71.440
68.891
67.901
68.136
67.985
66.494
66.404
65.425
65.004
68.545
68.804
67.480
66.468
69.606
68.934
67.848
69.417
67.245
68.834

37.829
38.906
39.330
38.481
37.595
38.761
39.327
40.356
41.431
41.093
39.798
40.798
38.483
42.704
43.868
44.720
45.036
44.677
43.820
44.690
46.079
45.046
45.859
47.212
47.220
45.283
45.851
43.784
48.320
49.678
50.398
50.697
50.433
51.919
52.907
52.572
54.136
53.992
52.135
54.887
53.060
54.401
50.659
51.423
52.847
53.103
50.936
49.416
51.688
48.849
53.768
55.140
55.869
55.490
55.930
56.005
56.842
55.232
56.940
55.354

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

14.31
12.28
17.26
17.36
24.70
23.90
8.66
6.76
11.79
12.33
2.54
7.37
2.50
15.39
13.99
15.27
22.11
13.97
6.80
17.30
19.00
10.93
9.95
13.35
18.53
7.92
2.71
7.26
13.38
10.26
11.68
15.41
11.36
12.48
14.97
10.09
10.72
9.65
9.36
2.00
7.35
2.14
13.95
17.04
23.20
28.18
16.77
20.54
21.96
17.10
24.62
21.98
24.98
22.44
21.61
17.51
16.40
18.67
11.96
19.33

1ACL 962
1ACL 963
1ACL 964
1ACL 965
1ACL 966
1ACL 967
1ACL 968
1ACL 969
1ACL 970
1ACL 971
1ACL 972
1ACL 973
1ACL 974
1ACL 975
1ACL 976
1ACL 977
1ACL 978
1ACL 979
1ACL 980
1ACL 981
1ACL 982
1ACL 983
1ACL 984
1ACL 985
1ACL 986
1ACL 987
1ACL 988
1ACL 989
1ACL 990
1ACL 991
1ACL 992
1ACL 993
1ACL 994
1ACL 995
1ACL 996
1ACL 997
1ACL 998
1ACL 999
1ACL1000
1ACL1001
1ACL1002
1ACL1003
1ACL1004
1ACL1005
1ACL1006
1ACL1007
1ACL1008
1ACL1009
1ACL1010
1ACL1011
1ACL1012
1ACL1013
1ACL1014
1ACL1015
1ACL1016
1ACL1017
1ACL1018
1ACL1019
1ACL1020
1ACL1021

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940

CZ
OH
N
CA
C
O
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG
N

TYR
TYR
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
THR

116
116
117
117
117
117
118
118
118
118
119
119
119
119
120
120
120
120
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
121
121
121
121
122
122
122
122
122
122
123
123
123
123
124
124
124
124
124
124
125
125
125
125
125
125
126

-3.930
-5.224
1.984
2.187
1.499
0.802
1.790
1.215
0.962
-0.125
1.998
1.854
0.697
0.460
-0.018
-1.124
-2.335
-3.323
-0.723
0.143
-0.375
1.416
0.357
2.161
1.638
-2.285
-3.416
-3.931
-4.942
-3.077
-2.040
-2.388
-0.716
-1.411
0.245
-0.075
0.954
-3.204
-3.561
-3.041
-2.460
-2.852
-1.476
-3.241
-2.762
-3.873
-5.052
-3.489
-4.484
-3.835
-2.640
-4.914
-4.971
-4.690
-4.231
-4.096
-3.118
-5.259
-5.995
-5.142

67.768
67.301
67.548
66.363
66.565
67.563
65.584
65.534
64.100
63.682
63.279
61.878
61.013
59.935
61.508
60.773
60.791
60.129
59.332
59.238
59.621
58.730
59.476
58.594
58.966
61.555
61.688
63.146
63.391
61.204
62.049
63.203
61.703
64.013
62.489
63.647
64.410
64.093
65.493
66.224
65.596
66.055
65.639
67.550
68.350
69.159
68.850
70.233
71.074
71.863
72.133
72.176
71.743
72.303
73.102
74.542
75.210
73.024
71.808
74.942

56.200
56.319
56.953
57.722
59.030
59.237
59.917
61.263
61.716
62.064
61.620
62.051
61.567
62.105
60.552
59.999
60.911
60.657
59.558
58.300
57.069
58.323
55.909
57.158
55.944
62.002
62.966
63.064
63.717
64.434
65.141
65.848
65.057
66.449
65.640
66.332
66.874
62.477
62.543
61.324
60.436
63.766
63.725
61.307
60.193
59.553
59.628
58.878
58.270
57.173
57.200
59.245
60.590
56.233
55.096
55.515
55.258
53.937
54.170
56.218

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

12.12
8.33
24.17
23.92
23.83
26.25
25.33
25.17
22.69
19.66
21.48
20.45
17.27
17.77
12.46
12.60
14.70
14.96
15.79
14.60
19.52
14.77
21.68
19.40
21.65
19.52
17.16
16.58
22.74
10.61
4.73
11.48
2.00
11.23
4.87
10.58
16.39
14.16
18.73
20.99
25.42
21.24
28.09
18.07
18.67
17.94
18.59
18.35
14.94
19.07
14.28
13.04
12.25
20.50
19.90
18.82
23.42
21.38
31.29
10.47

1ACL1022
1ACL1023
1ACL1024
1ACL1025
1ACL1026
1ACL1027
1ACL1028
1ACL1029
1ACL1030
1ACL1031
1ACL1032
1ACL1033
1ACL1034
1ACL1035
1ACL1036
1ACL1037
1ACL1038
1ACL1039
1ACL1040
1ACL1041
1ACL1042
1ACL1043
1ACL1044
1ACL1045
1ACL1046
1ACL1047
1ACL1048
1ACL1049
1ACL1050
1ACL1051
1ACL1052
1ACL1053
1ACL1054
1ACL1055
1ACL1056
1ACL1057
1ACL1058
1ACL1059
1ACL1060
1ACL1061
1ACL1062
1ACL1063
1ACL1064
1ACL1065
1ACL1066
1ACL1067
1ACL1068
1ACL1069
1ACL1070
1ACL1071
1ACL1072
1ACL1073
1ACL1074
1ACL1075
1ACL1076
1ACL1077
1ACL1078
1ACL1079
1ACL1080
1ACL1081

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000

CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
CG
CD

THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS

126
126
126
126
126
126
127
127
127
127
127
127
127
127
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
130
130
130
130
131
131
131
131
131
131
131
131
132
132
132
132
133
133
133
133
133
133
133

-5.352
-4.407
-4.552
-6.805
-7.076
-7.745
-3.442
-2.551
-1.879
-1.553
-1.276
-1.537
-0.194
-2.710
-1.516
-0.863
0.531
0.970
-0.791
-2.135
-3.138
-2.166
1.239
2.591
2.540
3.596
3.470
4.274
2.579
1.346
1.287
0.650
0.051
0.469
0.969
2.286
0.030
2.602
0.339
1.648
1.964
0.773
0.217
1.036
2.171
0.204
-0.747
-0.827
-1.497
0.399
1.103
1.397
2.183
0.768
1.009
2.450
2.838
0.197
0.800
0.107

76.250
76.806
77.922
76.269
75.388
75.672
76.030
76.677
77.913
78.044
75.872
74.450
73.961
74.391
78.760
79.991
79.717
80.399
81.062
81.517
81.511
81.877
78.730
78.443
77.765
77.458
77.573
78.434
76.501
77.449
76.845
77.845
77.432
75.579
74.492
74.285
73.617
73.206
72.545
72.284
71.060
79.173
80.238
80.375
80.857
81.602
82.539
82.554
83.309
79.970
79.951
81.209
81.227
82.280
83.511
83.983
84.573
84.641
85.216
86.519

56.708
57.753
58.240
57.171
58.265
56.117
58.202
59.197
58.663
57.496
59.509
59.962
60.518
60.936
59.613
59.199
58.683
57.778
60.307
60.881
60.139
62.071
59.273
58.752
57.404
56.902
59.693
60.690
60.386
56.866
55.549
54.552
53.568
55.611
56.544
56.906
57.064
57.725
57.878
58.190
58.825
54.821
53.959
52.682
52.633
54.651
53.925
52.698
54.711
51.597
50.334
49.633
48.686
50.098
49.396
49.280
48.287
50.039
51.334
51.695

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

7.82
9.19
15.22
10.45
6.49
11.23
9.18
10.00
11.67
16.12
7.26
5.93
8.30
2.09
17.74
23.64
21.25
24.65
32.11
42.17
49.94
43.68
22.10
20.27
21.21
24.07
17.27
7.13
13.27
21.50
18.44
22.24
24.07
8.32
7.60
2.00
6.00
2.00
2.27
5.63
4.46
22.34
22.97
24.15
26.09
24.59
26.17
29.61
20.02
25.81
25.56
27.63
27.42
26.03
20.89
19.06
19.49
18.01
12.80
18.09

1ACL1082
1ACL1083
1ACL1084
1ACL1085
1ACL1086
1ACL1087
1ACL1088
1ACL1089
1ACL1090
1ACL1091
1ACL1092
1ACL1093
1ACL1094
1ACL1095
1ACL1096
1ACL1097
1ACL1098
1ACL1099
1ACL1100
1ACL1101
1ACL1102
1ACL1103
1ACL1104
1ACL1105
1ACL1106
1ACL1107
1ACL1108
1ACL1109
1ACL1110
1ACL1111
1ACL1112
1ACL1113
1ACL1114
1ACL1115
1ACL1116
1ACL1117
1ACL1118
1ACL1119
1ACL1120
1ACL1121
1ACL1122
1ACL1123
1ACL1124
1ACL1125
1ACL1126
1ACL1127
1ACL1128
1ACL1129
1ACL1130
1ACL1131
1ACL1132
1ACL1133
1ACL1134
1ACL1135
1ACL1136
1ACL1137
1ACL1138
1ACL1139
1ACL1140
1ACL1141

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060

CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB

LYS
LYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU

133
133
134
134
134
134
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
135
136
136
136
136
136
137
137
137
137
137
137
137
137
137
137
137
137
138
138
138
138
138
138
138
139
139
139
139
139
139
139
139
139
140
140
140
140
140

-0.670
-1.397
3.272
4.600
5.454
6.286
5.334
4.479
3.653
4.502
2.871
3.718
2.906
2.106
5.213
6.035
5.601
6.391
5.911
6.961
8.367
6.905
4.276
3.681
4.152
4.654
2.153
3.980
4.351
5.815
6.158
3.990
4.473
5.764
3.646
6.238
4.136
5.419
5.860
6.700
8.107
8.642
9.370
8.914
8.552
10.435
8.334
8.859
7.893
8.139
9.224
10.206
11.557
12.101
12.063
6.743
5.869
5.348
5.130
6.570

86.488
87.728
83.715
84.324
83.668
84.288
84.432
85.023
84.187
86.377
84.695
86.886
86.044
86.500
82.371
81.629
81.921
82.196
80.145
79.253
79.817
77.902
81.867
82.148
83.502
83.713
82.201
84.448
85.806
85.912
86.246
86.585
87.977
88.300
88.921
89.572
90.196
90.538
91.825
85.593
85.754
84.969
85.531
85.445
86.404
85.598
83.666
82.883
82.753
82.054
81.481
81.464
81.873
81.174
82.896
83.405
83.295
81.892
81.555
83.855

52.980
53.076
50.273
50.141
49.109
48.454
51.498
52.617
53.355
52.921
54.379
53.935
54.665
55.680
48.957
48.007
46.600
45.699
48.343
47.756
47.925
48.474
46.432
45.131
44.645
43.549
45.241
45.555
45.305
44.965
43.859
46.569
46.489
46.868
45.948
46.663
45.745
46.096
45.857
45.889
45.578
44.398
43.586
46.841
47.827
46.745
44.311
43.175
41.970
41.000
43.650
44.807
44.324
43.478
44.777
42.025
40.870
40.605
39.469
39.598

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

18.54
24.89
19.77
21.78
21.63
23.97
25.42
26.75
30.20
22.77
29.67
19.54
23.03
30.38
16.40
11.04
11.91
10.16
6.81
2.00
2.00
2.00
12.31
14.78
22.63
29.12
14.98
22.29
19.74
22.22
26.67
26.34
30.93
27.90
34.79
34.73
35.67
34.81
40.40
24.77
27.53
29.92
34.33
28.64
36.18
32.59
27.38
23.63
22.15
16.64
22.31
18.11
24.90
23.07
33.08
22.43
25.21
21.27
23.56
27.91

1ACL1142
1ACL1143
1ACL1144
1ACL1145
1ACL1146
1ACL1147
1ACL1148
1ACL1149
1ACL1150
1ACL1151
1ACL1152
1ACL1153
1ACL1154
1ACL1155
1ACL1156
1ACL1157
1ACL1158
1ACL1159
1ACL1160
1ACL1161
1ACL1162
1ACL1163
1ACL1164
1ACL1165
1ACL1166
1ACL1167
1ACL1168
1ACL1169
1ACL1170
1ACL1171
1ACL1172
1ACL1173
1ACL1174
1ACL1175
1ACL1176
1ACL1177
1ACL1178
1ACL1179
1ACL1180
1ACL1181
1ACL1182
1ACL1183
1ACL1184
1ACL1185
1ACL1186
1ACL1187
1ACL1188
1ACL1189
1ACL1190
1ACL1191
1ACL1192
1ACL1193
1ACL1194
1ACL1195
1ACL1196
1ACL1197
1ACL1198
1ACL1199
1ACL1200
1ACL1201

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120

CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1

GLU
GLU
GLU
GLU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR

140
140
140
140
141
141
141
141
141
141
141
142
142
142
142
142
142
142
143
143
143
143
143
143
143
143
144
144
144
144
144
144
144
145
145
145
145
145
145
146
146
146
146
146
146
146
146
147
147
147
147
147
147
148
148
148
148
148
148
148

7.141
7.986
7.394
9.222
5.173
4.677
3.232
2.809
5.513
6.990
5.396
2.454
1.115
1.442
2.360
-0.120
-0.155
-0.329
0.676
0.922
-0.382
-1.308
1.425
2.173
3.548
1.327
-0.505
-1.822
-1.513
-0.426
-2.592
-1.948
-2.812
-2.434
-2.241
-3.328
-4.416
-2.732
-2.018
-3.152
-4.372
-4.748
-3.939
-4.228
-2.917
-2.920
-2.596
-5.996
-6.471
-6.499
-6.644
-7.985
-8.419
-6.426
-6.588
-7.080
-6.751
-5.379
-4.176
-3.376

85.275
85.879
86.505
85.731
81.062
79.752
79.689
80.555
78.742
78.855
78.847
78.727
78.643
77.658
76.827
78.257
79.075
76.782
77.754
76.895
76.365
77.176
77.794
76.956
77.501
76.760
75.055
74.581
73.828
73.255
73.722
73.679
72.262
73.817
73.073
72.078
72.486
73.918
75.114
70.845
70.000
69.502
69.558
68.895
68.128
67.291
67.287
69.063
68.495
67.030
66.634
68.726
70.063
66.191
64.762
64.196
64.738
64.012
64.053
65.172

39.868
38.744
37.865
38.763
41.597
41.271
41.701
42.454
42.074
41.737
43.598
41.198
41.804
42.937
42.817
40.924
39.636
40.598
44.035
45.173
45.557
45.646
46.330
47.357
47.673
48.626
45.718
46.132
47.401
47.502
45.070
43.680
45.458
48.361
49.606
49.585
49.170
50.811
50.981
50.029
49.956
51.359
52.292
48.872
48.948
50.227
47.710
51.499
52.728
52.491
51.351
52.883
53.085
53.515
53.271
54.546
55.580
52.767
53.652
53.725

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

40.78
43.06
51.75
40.74
15.30
18.17
19.95
24.26
18.70
21.69
21.37
17.38
18.72
21.89
24.46
15.85
20.44
12.12
20.14
13.89
12.95
14.13
8.69
14.48
9.40
16.02
9.85
10.53
14.76
17.96
6.82
2.00
2.00
13.12
12.25
14.90
23.90
13.74
14.05
14.97
15.30
16.91
25.53
4.10
7.34
4.91
2.00
11.45
9.82
11.86
12.65
9.98
18.67
15.11
13.88
10.02
10.74
18.20
17.18
14.77

1ACL1202
1ACL1203
1ACL1204
1ACL1205
1ACL1206
1ACL1207
1ACL1208
1ACL1209
1ACL1210
1ACL1211
1ACL1212
1ACL1213
1ACL1214
1ACL1215
1ACL1216
1ACL1217
1ACL1218
1ACL1219
1ACL1220
1ACL1221
1ACL1222
1ACL1223
1ACL1224
1ACL1225
1ACL1226
1ACL1227
1ACL1228
1ACL1229
1ACL1230
1ACL1231
1ACL1232
1ACL1233
1ACL1234
1ACL1235
1ACL1236
1ACL1237
1ACL1238
1ACL1239
1ACL1240
1ACL1241
1ACL1242
1ACL1243
1ACL1244
1ACL1245
1ACL1246
1ACL1247
1ACL1248
1ACL1249
1ACL1250
1ACL1251
1ACL1252
1ACL1253
1ACL1254
1ACL1255
1ACL1256
1ACL1257
1ACL1258
1ACL1259
1ACL1260
1ACL1261

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180

CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA

TYR
TYR
TYR
TYR
TYR
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLY
GLY
GLY
GLY
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU

148
148
148
148
148
149
149
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
151
151
151
151
152
152
152
152
152
153
153
153
153
153
153
153
153
153
153
153
154
154
154
154
155
155
155
155
155
155
155
155
155
155
155
156
156

-3.836
-2.240
-2.713
-1.915
-0.867
-7.885
-8.383
-7.307
-6.640
-9.447
-10.701
-11.673
-11.128
-11.866
-12.973
-11.484
-7.185
-6.164
-6.807
-8.010
-5.444
-4.516
-6.477
-6.021
-6.582
-7.371
-7.269
-8.226
-9.059
-9.831
-9.934
-10.096
-10.382
-11.185
-10.377
-10.919
-11.695
-12.375
-13.588
-11.758
-14.132
-12.306
-13.475
-9.077
-8.312
-7.561
-7.249
-7.271
-6.474
-6.942
-6.069
-5.024
-4.420
-4.699
-3.593
-4.182
-3.077
-3.382
-8.273
-8.741

62.909
65.101
62.855
63.957
63.927
63.148
62.632
61.938
61.004
61.616
62.239
61.083
60.185
59.234
58.817
58.733
62.358
61.768
60.945
61.046
62.900
63.645
63.835
60.124
59.383
58.205
57.591
57.819
56.620
56.739
55.803
56.507
57.960
58.279
58.205
57.996
59.733
60.137
59.561
61.028
59.815
61.309
60.683
58.457
58.399
57.097
56.720
56.339
55.168
53.942
53.119
55.467
56.571
57.903
56.262
58.896
57.255
58.571
53.816
52.547

54.347
54.522
55.128
55.251
56.165
54.497
55.770
56.636
56.189
55.433
54.819
54.644
53.640
53.088
53.702
51.914
57.899
58.764
59.815
60.016
59.480
58.525
60.093
60.489
61.595
61.302
60.282
62.233
62.061
60.802
60.025
63.183
60.646
59.492
58.224
57.151
59.520
60.807
61.160
61.667
62.383
62.888
63.248
58.326
57.107
56.900
55.777
57.950
57.731
58.430
58.723
58.117
57.287
57.554
56.217
56.748
55.406
55.678
58.709
59.335

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

17.85
24.11
14.38
17.50
22.55
8.82
6.24
10.92
15.79
4.18
3.99
16.12
20.34
17.09
15.67
13.06
10.75
9.12
9.47
21.04
6.20
2.00
2.00
3.78
2.00
2.52
9.14
13.12
9.56
13.32
18.22
7.36
11.30
12.59
17.14
26.87
16.27
16.39
13.58
17.76
16.12
16.01
22.08
11.62
7.15
10.90
16.72
7.12
2.10
2.97
2.00
2.93
4.75
4.52
7.62
4.72
2.00
4.31
2.00
5.64

1ACL1262
1ACL1263
1ACL1264
1ACL1265
1ACL1266
1ACL1267
1ACL1268
1ACL1269
1ACL1270
1ACL1271
1ACL1272
1ACL1273
1ACL1274
1ACL1275
1ACL1276
1ACL1277
1ACL1278
1ACL1279
1ACL1280
1ACL1281
1ACL1282
1ACL1283
1ACL1284
1ACL1285
1ACL1286
1ACL1287
1ACL1288
1ACL1289
1ACL1290
1ACL1291
1ACL1292
1ACL1293
1ACL1294
1ACL1295
1ACL1296
1ACL1297
1ACL1298
1ACL1299
1ACL1300
1ACL1301
1ACL1302
1ACL1303
1ACL1304
1ACL1305
1ACL1306
1ACL1307
1ACL1308
1ACL1309
1ACL1310
1ACL1311
1ACL1312
1ACL1313
1ACL1314
1ACL1315
1ACL1316
1ACL1317
1ACL1318
1ACL1319
1ACL1320
1ACL1321

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240

C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O

LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA

156
156
156
156
156
156
157
157
157
157
157
158
158
158
158
158
158
158
158
159
159
159
159
159
159
159
159
159
159
160
160
160
160
161
161
161
161
161
162
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163
163
163
164
164
164
164

-8.479
-8.265
-10.243
-10.645
-10.327
-12.136
-8.564
-8.147
-8.505
-7.657
-6.606
-9.797
-10.252
-10.056
-10.953
-11.710
-11.905
-13.285
-10.842
-8.859
-8.446
-9.419
-9.561
-7.191
-6.604
-6.599
-6.004
-5.990
-5.624
-10.058
-10.913
-12.259
-13.082
-12.507
-13.818
-13.773
-13.229
-14.238
-14.490
-14.509
-15.110
-15.141
-15.409
-15.419
-16.528
-17.681
-16.112
-15.671
-16.275
-15.296
-15.606
-17.400
-18.465
-19.377
-18.893
-20.595
-14.142
-13.095
-11.826
-11.258

51.395
51.644
52.555
51.644
52.370
51.396
50.129
49.284
47.856
46.965
49.322
47.640
46.269
45.697
45.651
46.359
46.868
46.382
46.248
45.216
44.734
44.223
44.865
43.922
43.829
44.836
42.687
44.334
43.049
43.068
42.704
43.399
43.063
44.385
45.005
46.241
47.241
45.464
46.258
47.478
48.655
49.762
47.326
45.946
45.008
45.392
43.763
48.409
49.546
50.417
51.562
49.066
48.291
49.275
50.199
49.112
49.826
50.529
49.829
49.171

58.334
57.168
59.592
60.743
62.046
60.651
58.645
57.525
57.651
57.739
57.439
57.623
57.682
56.305
55.493
58.106
59.532
60.006
60.497
56.069
54.781
53.692
52.649
54.837
53.437
52.521
52.852
51.429
51.607
53.874
52.717
52.603
51.759
53.447
53.397
52.631
53.056
54.780
51.526
50.735
51.477
50.982
49.467
48.769
49.320
49.519
49.611
52.648
53.344
54.107
54.397
54.251
53.472
52.750
52.075
52.896
54.449
55.157
54.812
55.678

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

7.37
15.00
5.85
3.74
12.98
6.63
7.37
5.56
8.89
8.40
8.20
9.39
14.91
17.09
21.18
15.18
13.03
12.27
10.10
24.14
33.49
37.15
42.52
38.36
47.36
48.70
51.97
53.17
54.19
36.72
40.59
42.72
46.42
41.83
42.53
43.71
48.57
43.02
43.93
41.60
35.99
37.32
49.31
58.31
60.67
60.26
55.78
34.09
30.12
23.18
21.94
35.30
42.28
49.78
43.09
55.82
17.61
14.06
14.83
18.93

1ACL1322
1ACL1323
1ACL1324
1ACL1325
1ACL1326
1ACL1327
1ACL1328
1ACL1329
1ACL1330
1ACL1331
1ACL1332
1ACL1333
1ACL1334
1ACL1335
1ACL1336
1ACL1337
1ACL1338
1ACL1339
1ACL1340
1ACL1341
1ACL1342
1ACL1343
1ACL1344
1ACL1345
1ACL1346
1ACL1347
1ACL1348
1ACL1349
1ACL1350
1ACL1351
1ACL1352
1ACL1353
1ACL1354
1ACL1355
1ACL1356
1ACL1357
1ACL1358
1ACL1359
1ACL1360
1ACL1361
1ACL1362
1ACL1363
1ACL1364
1ACL1365
1ACL1366
1ACL1367
1ACL1368
1ACL1369
1ACL1370
1ACL1371
1ACL1372
1ACL1373
1ACL1374
1ACL1375
1ACL1376
1ACL1377
1ACL1378
1ACL1379
1ACL1380
1ACL1381

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300

CB
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB

ALA
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLN
GLN
GLN
GLN
GLN

164
165
165
165
165
165
165
165
166
166
166
166
167
167
167
167
167
167
167
167
168
168
168
168
168
168
168
169
169
169
169
170
170
170
170
170
170
170
170
171
171
171
171
171
171
171
171
172
172
172
172
172
172
172
172
173
173
173
173
173

-13.267
-11.399
-10.133
-9.112
-9.403
-10.144
-10.999
-11.967
-7.880
-7.064
-6.791
-7.207
-5.970
-5.423
-6.385
-6.008
-4.426
-3.404
-3.140
-2.841
-7.604
-8.480
-7.958
-8.195
-9.901
-10.375
-9.976
-7.194
-6.660
-5.551
-5.287
-4.893
-3.788
-4.337
-3.781
-2.883
-1.369
-0.847
-0.568
-5.495
-6.194
-6.738
-6.757
-7.363
-6.920
-8.148
-6.148
-7.180
-7.637
-6.553
-6.859
-7.965
-9.197
-9.113
-10.250
-5.284
-4.146
-4.111
-4.104
-2.790

50.537
49.955
49.363
50.337
51.499
49.636
50.913
50.930
49.963
51.080
52.209
52.325
53.069
54.188
55.151
55.948
53.704
52.837
52.975
51.901
55.163
56.116
57.532
58.317
55.995
54.547
56.559
57.862
59.219
59.492
60.627
58.388
58.460
58.751
59.539
57.212
57.526
58.778
56.362
58.108
58.344
59.773
60.420
57.407
55.952
55.046
55.672
60.295
61.693
62.562
63.453
62.261
61.599
60.457
62.213
62.273
63.037
62.883
63.889
62.575

56.653
53.540
53.082
53.510
53.768
51.592
51.398
52.590
53.499
53.972
52.987
51.843
53.537
52.847
52.250
51.403
51.783
52.435
53.627
51.684
52.707
52.054
52.103
51.218
52.596
52.632
54.006
53.108
53.188
52.213
51.813
51.819
50.877
49.520
48.768
50.932
50.796
51.488
51.353
49.247
47.986
47.947
46.911
47.793
47.711
47.760
46.436
49.096
49.069
48.495
47.735
50.453
50.962
51.347
50.956
48.862
48.335
46.819
46.121
48.901

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

9.65
14.97
11.99
14.23
23.12
14.13
16.08
14.62
15.19
16.82
17.29
24.29
13.59
11.66
9.78
13.35
9.22
16.95
26.43
13.61
10.29
12.58
11.66
21.01
11.23
5.67
15.82
11.57
10.32
11.85
13.83
12.64
10.48
11.28
8.02
2.35
2.00
2.00
3.04
14.08
11.92
14.17
13.93
10.66
8.12
16.56
6.48
15.14
15.10
13.36
16.60
14.42
13.98
14.35
17.03
13.77
8.06
9.95
12.38
2.53

1ACL1382
1ACL1383
1ACL1384
1ACL1385
1ACL1386
1ACL1387
1ACL1388
1ACL1389
1ACL1390
1ACL1391
1ACL1392
1ACL1393
1ACL1394
1ACL1395
1ACL1396
1ACL1397
1ACL1398
1ACL1399
1ACL1400
1ACL1401
1ACL1402
1ACL1403
1ACL1404
1ACL1405
1ACL1406
1ACL1407
1ACL1408
1ACL1409
1ACL1410
1ACL1411
1ACL1412
1ACL1413
1ACL1414
1ACL1415
1ACL1416
1ACL1417
1ACL1418
1ACL1419
1ACL1420
1ACL1421
1ACL1422
1ACL1423
1ACL1424
1ACL1425
1ACL1426
1ACL1427
1ACL1428
1ACL1429
1ACL1430
1ACL1431
1ACL1432
1ACL1433
1ACL1434
1ACL1435
1ACL1436
1ACL1437
1ACL1438
1ACL1439
1ACL1440
1ACL1441

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325
1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360

CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N

GLN
GLN
GLN
GLN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
VAL

173
173
173
173
174
174
174
174
174
174
174
174
174
174
174
175
175
175
175
175
175
175
175
176
176
176
176
176
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
178
179
179
179
179
179
179
179
179
179
179
179
179
179
179
180

-2.695
-1.285
-0.288
-1.202
-4.135
-4.107
-5.228
-5.015
-4.065
-3.920
-4.448
-3.437
-3.575
-4.782
-2.469
-6.446
-7.544
-7.264
-7.507
-8.900
-10.033
-11.624
-11.289
-6.708
-6.418
-5.337
-5.274
-5.817
-4.485
-3.414
-3.976
-3.574
-2.286
-0.927
-0.998
-0.316
-4.955
-5.606
-6.296
-6.077
-6.515
-7.409
-6.718
-6.345
-6.502
-7.119
-7.743
-6.737
-6.954
-8.546
-9.584
-10.950
-9.452
-11.676
-10.815
-8.386
-11.023
-8.623
-9.917
-5.611

62.601
62.270
62.299
61.978
61.617
61.312
61.990
62.510
59.809
59.286
57.837
56.855
55.492
54.915
54.698
61.980
62.687
64.200
64.903
62.392
62.833
62.081
60.338
64.746
66.159
66.359
67.405
66.706
65.345
65.499
65.468
66.202
64.440
64.877
66.085
63.688
64.590
64.510
65.821
66.417
63.289
63.009
61.935
60.851
62.275
66.321
67.599
68.666
69.595
68.127
69.166
68.859
70.584
70.018
71.107
71.452
72.455
72.815
73.290
68.580

50.426
50.914
50.232
52.172
46.346
44.926
44.158
43.071
44.720
43.266
43.114
43.483
43.524
43.549
43.550
44.698
44.007
43.995
43.033
44.626
43.705
44.155
43.898
45.056
44.922
43.852
43.235
46.210
43.624
42.612
41.201
40.291
42.774
43.376
44.278
44.140
41.034
39.722
39.418
38.380
39.730
38.530
37.705
38.155
36.449
40.320
39.989
39.741
38.978
41.142
40.788
40.574
40.822
40.512
40.665
40.888
40.595
40.798
40.662
40.409

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

4.10
5.73
5.40
10.73
6.20
4.58
8.54
10.76
12.40
9.95
7.50
6.68
9.20
2.00
11.78
10.93
10.48
9.85
10.84
9.91
14.89
19.84
8.64
11.85
15.62
16.77
16.51
15.99
14.33
14.60
18.78
23.12
9.93
4.49
2.00
4.62
17.50
15.23
10.05
10.73
19.84
24.13
34.71
42.34
42.91
5.67
5.24
6.39
12.71
4.23
3.01
2.00
2.00
13.68
4.06
2.00
2.00
2.00
3.24
10.23

1ACL1442
1ACL1443
1ACL1444
1ACL1445
1ACL1446
1ACL1447
1ACL1448
1ACL1449
1ACL1450
1ACL1451
1ACL1452
1ACL1453
1ACL1454
1ACL1455
1ACL1456
1ACL1457
1ACL1458
1ACL1459
1ACL1460
1ACL1461
1ACL1462
1ACL1463
1ACL1464
1ACL1465
1ACL1466
1ACL1467
1ACL1468
1ACL1469
1ACL1470
1ACL1471
1ACL1472
1ACL1473
1ACL1474
1ACL1475
1ACL1476
1ACL1477
1ACL1478
1ACL1479
1ACL1480
1ACL1481
1ACL1482
1ACL1483
1ACL1484
1ACL1485
1ACL1486
1ACL1487
1ACL1488
1ACL1489
1ACL1490
1ACL1491
1ACL1492
1ACL1493
1ACL1494
1ACL1495
1ACL1496
1ACL1497
1ACL1498
1ACL1499
1ACL1500
1ACL1501

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385
1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420

CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ

VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

180
180
180
180
180
180
181
181
181
181
181
181
181
181
181
181
182
182
182
182
182
182
182
182
183
183
183
183
183
183
183
183
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
185
186
186
186
186
186
186
186
186
186
186
186

-4.652
-4.245
-4.209
-3.427
-2.308
-3.899
-3.988
-3.554
-4.446
-4.110
-3.534
-2.941
-3.582
-1.611
-2.703
-1.526
-5.669
-6.717
-7.084
-7.393
-7.963
-7.791
-6.711
-8.753
-7.042
-7.464
-6.521
-6.941
-8.457
-9.598
-10.397
-9.654
-5.263
-4.362
-4.062
-3.718
-3.140
-2.480
-2.197
-3.395
-4.230
-4.052
-4.925
-4.497
-4.374
-5.774
-5.817
-4.915
-6.849
-6.154
-6.995
-6.596
-7.201
-8.451
-8.836
-8.671
-9.384
-9.059
-9.791
-9.626

69.628
69.442
70.428
69.667
70.618
70.116
68.210
67.900
68.454
69.254
66.368
65.873
65.039
66.040
64.676
65.266
67.945
68.276
69.743
70.174
67.467
65.957
65.516
65.221
70.512
71.951
73.049
74.198
72.114
71.321
71.841
70.060
72.756
73.821
74.806
75.968
73.234
74.257
72.575
74.585
74.277
75.004
76.239
77.257
74.080
73.431
72.467
71.680
72.560
76.159
77.363
78.429
79.508
76.982
75.821
75.871
74.686
74.806
73.617
73.677

40.083
38.669
37.996
41.027
40.571
42.408
38.230
36.863
35.764
34.871
36.717
35.409
34.564
34.927
33.620
33.826
35.911
34.978
34.895
33.802
35.312
35.141
34.763
35.371
36.018
36.050
36.408
36.398
37.180
36.716
35.949
37.151
36.699
37.102
36.004
36.212
37.826
38.760
36.849
39.970
34.789
33.547
33.490
32.983
32.357
32.361
31.190
30.962
30.398
34.027
33.973
35.007
35.114
34.197
33.337
31.971
33.900
31.189
33.113
31.752

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

11.38
7.89
9.35
11.76
13.22
14.65
11.57
12.20
13.68
13.56
13.66
17.22
14.60
19.54
11.59
15.88
11.04
12.87
14.74
15.77
11.11
9.45
14.07
7.59
18.68
15.29
15.99
19.42
13.34
17.05
23.88
14.63
15.09
13.74
15.82
20.34
11.11
14.63
7.89
9.15
17.41
14.25
13.45
12.47
16.69
20.41
28.37
31.66
31.45
12.70
14.82
18.34
18.23
15.11
21.57
21.61
30.29
21.51
25.65
24.23

1ACL1502
1ACL1503
1ACL1504
1ACL1505
1ACL1506
1ACL1507
1ACL1508
1ACL1509
1ACL1510
1ACL1511
1ACL1512
1ACL1513
1ACL1514
1ACL1515
1ACL1516
1ACL1517
1ACL1518
1ACL1519
1ACL1520
1ACL1521
1ACL1522
1ACL1523
1ACL1524
1ACL1525
1ACL1526
1ACL1527
1ACL1528
1ACL1529
1ACL1530
1ACL1531
1ACL1532
1ACL1533
1ACL1534
1ACL1535
1ACL1536
1ACL1537
1ACL1538
1ACL1539
1ACL1540
1ACL1541
1ACL1542
1ACL1543
1ACL1544
1ACL1545
1ACL1546
1ACL1547
1ACL1548
1ACL1549
1ACL1550
1ACL1551
1ACL1552
1ACL1553
1ACL1554
1ACL1555
1ACL1556
1ACL1557
1ACL1558
1ACL1559
1ACL1560
1ACL1561

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445
1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480

N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR

187
187
187
187
187
187
187
187
187
187
187
188
188
188
188
189
189
189
189
190
190
190
190
190
190
190
190
191
191
191
191
191
191
191
192
192
192
192
192
192
192
192
192
193
193
193
193
193
193
193
194
194
194
194
194
194
194
195
195
195

-5.549
-5.017
-3.663
-2.973
-4.997
-6.358
-6.801
-7.146
-7.996
-8.346
-8.784
-3.221
-1.907
-0.874
0.291
-1.249
-0.159
0.094
-0.730
1.264
1.653
1.574
2.476
3.110
3.841
3.248
5.037
0.601
0.492
1.631
1.748
-0.696
-1.420
-0.425
2.472
3.636
4.802
5.873
4.071
2.943
2.135
0.587
-0.200
4.581
5.619
5.087
5.231
6.443
6.730
7.813
4.452
3.920
4.846
5.199
2.417
2.118
1.772
5.250
6.096
5.291

78.057
78.912
79.361
80.010
78.302
77.849
76.552
78.681
76.070
78.218
76.925
79.001
79.518
78.548
78.797
77.401
76.477
75.511
75.258
74.936
74.015
72.577
72.119
74.377
73.405
72.451
73.606
71.792
70.442
69.564
68.514
69.787
70.931
72.113
69.972
69.151
69.414
68.859
69.373
69.245
67.891
67.996
66.989
70.286
70.642
70.978
72.095
71.821
71.591
71.876
69.970
70.160
69.352
68.217
69.753
68.285
70.078
69.951
69.266
69.007

35.818
36.878
36.524
37.286
38.276
38.770
38.522
39.525
39.031
40.046
39.802
35.354
35.003
35.297
35.073
35.787
36.073
34.946
34.080
34.986
33.969
34.454
35.104
33.664
32.752
32.228
32.576
34.087
34.635
34.403
34.995
33.915
33.213
33.119
33.471
33.145
34.075
33.869
31.667
30.599
30.640
30.376
31.107
35.080
36.009
37.380
37.874
35.483
34.116
36.141
37.979
39.318
40.225
39.909
39.365
39.096
40.688
41.332
42.305
43.598

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

15.32
10.15
10.92
15.92
4.36
2.00
2.00
2.00
2.00
2.00
2.00
12.28
8.23
5.28
9.37
3.83
12.43
15.87
23.41
9.89
8.10
2.65
5.02
8.22
20.70
24.54
31.33
2.00
4.08
8.70
12.58
2.00
2.00
2.95
18.20
27.86
29.82
26.20
36.14
50.28
59.84
65.32
63.96
32.11
32.27
32.07
34.54
30.34
34.42
39.06
30.29
26.67
25.43
21.08
22.73
21.01
28.54
25.31
24.91
26.17

1ACL1562
1ACL1563
1ACL1564
1ACL1565
1ACL1566
1ACL1567
1ACL1568
1ACL1569
1ACL1570
1ACL1571
1ACL1572
1ACL1573
1ACL1574
1ACL1575
1ACL1576
1ACL1577
1ACL1578
1ACL1579
1ACL1580
1ACL1581
1ACL1582
1ACL1583
1ACL1584
1ACL1585
1ACL1586
1ACL1587
1ACL1588
1ACL1589
1ACL1590
1ACL1591
1ACL1592
1ACL1593
1ACL1594
1ACL1595
1ACL1596
1ACL1597
1ACL1598
1ACL1599
1ACL1600
1ACL1601
1ACL1602
1ACL1603
1ACL1604
1ACL1605
1ACL1606
1ACL1607
1ACL1608
1ACL1609
1ACL1610
1ACL1611
1ACL1612
1ACL1613
1ACL1614
1ACL1615
1ACL1616
1ACL1617
1ACL1618
1ACL1619
1ACL1620
1ACL1621

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505
1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
1533
1534
1535
1536
1537
1538
1539
1540

O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB

THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ALA
ALA
ALA
ALA
ALA

195
195
195
195
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
197
197
197
198
198
198
198
199
199
199
199
199
199
199
199
199
200
200
200
200
200
200
201
201
201
201
201
202
202
202
202
203
203
203
203
204
204
204
204
204

4.710
7.206
7.975
8.120
5.226
4.542
5.644
6.665
3.757
4.628
2.660
3.880
5.441
6.358
5.573
4.335
7.135
6.454
5.224
7.116
4.665
6.564
5.329
6.288
5.555
6.565
7.597
6.246
7.105
6.588
5.384
7.025
8.217
7.982
6.827
8.999
7.441
6.980
6.141
6.576
6.293
5.865
4.914
4.065
3.703
3.192
2.856
3.963
3.688
4.876
4.777
6.063
7.224
7.307
7.997
6.596
6.557
5.424
5.472
6.363

69.947
70.242
70.504
69.707
67.764
67.601
67.631
66.932
66.322
65.102
66.423
63.837
68.528
68.676
68.398
68.405
69.976
71.292
71.594
72.271
72.837
73.508
73.796
68.111
67.813
67.389
66.822
67.665
67.399
66.344
66.247
68.702
68.947
68.777
68.533
68.902
65.593
64.612
63.657
63.185
65.268
64.380
63.420
62.486
62.973
62.252
62.122
64.243
64.699
64.267
63.770
64.412
64.034
62.555
61.994
61.896
60.428
60.039
58.989
59.715

44.139
42.679
41.520
43.775
44.096
45.357
46.480
46.444
45.322
45.051
44.290
45.398
47.459
48.573
49.871
49.861
48.486
48.798
48.287
49.549
48.514
49.782
49.262
50.985
52.210
53.208
52.862
54.478
55.637
56.591
56.731
56.473
57.423
58.914
59.318
59.627
57.299
58.271
57.495
56.462
59.531
60.590
57.946
57.228
55.793
54.949
58.075
55.535
54.192
53.330
52.221
53.891
53.131
52.996
52.151
53.902
53.829
52.910
52.307
55.169

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

31.50
20.43
19.69
22.97
20.62
13.25
18.04
16.08
9.82
7.40
9.77
3.67
16.91
15.21
20.46
21.77
11.89
10.29
9.55
9.41
11.79
2.00
4.23
16.31
15.75
20.05
20.39
21.13
15.17
14.49
14.11
16.27
20.32
17.19
2.00
19.68
14.24
17.33
14.57
21.28
22.36
21.95
8.60
10.01
12.02
12.73
3.63
8.32
12.09
13.65
15.08
9.37
8.78
12.44
14.46
15.23
19.78
18.79
24.37
17.75

1ACL1622
1ACL1623
1ACL1624
1ACL1625
1ACL1626
1ACL1627
1ACL1628
1ACL1629
1ACL1630
1ACL1631
1ACL1632
1ACL1633
1ACL1634
1ACL1635
1ACL1636
1ACL1637
1ACL1638
1ACL1639
1ACL1640
1ACL1641
1ACL1642
1ACL1643
1ACL1644
1ACL1645
1ACL1646
1ACL1647
1ACL1648
1ACL1649
1ACL1650
1ACL1651
1ACL1652
1ACL1653
1ACL1654
1ACL1655
1ACL1656
1ACL1657
1ACL1658
1ACL1659
1ACL1660
1ACL1661
1ACL1662
1ACL1663
1ACL1664
1ACL1665
1ACL1666
1ACL1667
1ACL1668
1ACL1669
1ACL1670
1ACL1671
1ACL1672
1ACL1673
1ACL1674
1ACL1675
1ACL1676
1ACL1677
1ACL1678
1ACL1679
1ACL1680
1ACL1681

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1541
1542
1543
1544
1545
1546
1547
1548
1549
1550
1551
1552
1553
1554
1555
1556
1557
1558
1559
1560
1561
1562
1563
1564
1565
1566
1567
1568
1569
1570
1571
1572
1573
1574
1575
1576
1577
1578
1579
1580
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600

N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C

SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLY
GLY
GLY
GLY
MET
MET
MET
MET
MET
MET
MET
MET
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO

205
205
205
205
205
205
206
206
206
206
206
206
206
207
207
207
207
208
208
208
208
208
208
208
208
209
209
209
209
209
209
209
209
209
209
210
210
210
210
210
210
210
210
211
211
211
211
211
211
211
211
212
212
212
212
212
212
213
213
213

4.379
3.323
3.871
3.653
2.052
1.421
4.601
5.220
5.990
5.749
6.113
7.139
5.275
6.939
7.623
6.656
6.890
5.577
4.642
4.136
4.252
3.563
4.221
3.045
3.684
3.602
3.228
4.450
4.298
2.838
1.524
1.288
0.318
0.021
-0.600
5.678
6.713
6.685
6.982
8.094
8.276
9.266
9.654
6.361
6.284
4.935
4.918
6.431
7.886
8.573
7.966
3.776
2.591
2.399
2.394
1.266
1.553
2.141
1.959
1.059

60.873
60.539
60.732
59.880
61.407
61.117
61.831
62.160
60.967
60.469
63.419
63.582
64.691
60.492
59.316
58.167
57.436
57.986
56.865
57.009
56.117
56.681
56.325
56.289
54.806
58.164
58.401
58.163
57.706
59.870
60.150
61.220
59.403
61.145
60.072
58.527
58.140
56.623
56.213
58.513
60.011
57.774
60.403
55.804
54.347
53.805
52.814
53.676
53.516
54.865
52.732
54.416
53.749
53.922
55.022
54.136
53.950
52.761
52.800
53.872

52.815
51.860
50.469
49.641
51.992
53.223
50.231
48.945
48.406
47.311
49.095
47.990
49.195
49.185
48.672
48.401
47.461
49.195
48.897
47.445
46.620
49.983
51.337
52.718
53.508
47.111
45.719
44.759
43.645
45.538
46.243
47.051
46.165
47.424
46.904
45.109
44.130
43.891
42.785
44.632
44.565
43.980
45.136
44.903
44.759
44.176
43.441
46.141
46.602
46.790
47.914
44.462
43.914
42.421
41.857
44.555
45.900
41.761
40.329
39.803

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

18.27
13.64
8.35
8.24
11.85
3.75
7.40
7.86
8.75
15.30
6.07
3.28
2.00
7.69
4.68
3.89
5.56
2.12
8.67
9.98
15.77
8.90
14.86
16.10
18.57
7.05
7.49
6.36
4.43
2.26
8.98
2.00
9.94
2.00
11.36
3.15
2.28
6.61
11.76
2.00
2.00
2.00
2.00
7.15
6.31
11.07
10.77
10.78
14.63
23.89
12.67
6.97
11.34
14.34
11.96
16.37
29.93
15.45
10.42
11.18

1ACL1682
1ACL1683
1ACL1684
1ACL1685
1ACL1686
1ACL1687
1ACL1688
1ACL1689
1ACL1690
1ACL1691
1ACL1692
1ACL1693
1ACL1694
1ACL1695
1ACL1696
1ACL1697
1ACL1698
1ACL1699
1ACL1700
1ACL1701
1ACL1702
1ACL1703
1ACL1704
1ACL1705
1ACL1706
1ACL1707
1ACL1708
1ACL1709
1ACL1710
1ACL1711
1ACL1712
1ACL1713
1ACL1714
1ACL1715
1ACL1716
1ACL1717
1ACL1718
1ACL1719
1ACL1720
1ACL1721
1ACL1722
1ACL1723
1ACL1724
1ACL1725
1ACL1726
1ACL1727
1ACL1728
1ACL1729
1ACL1730
1ACL1731
1ACL1732
1ACL1733
1ACL1734
1ACL1735
1ACL1736
1ACL1737
1ACL1738
1ACL1739
1ACL1740
1ACL1741

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1616
1617
1618
1619
1620
1621
1622
1623
1624
1625
1626
1627
1628
1629
1630
1631
1632
1633
1634
1635
1636
1637
1638
1639
1640
1641
1642
1643
1644
1645
1646
1647
1648
1649
1650
1651
1652
1653
1654
1655
1656
1657
1658
1659
1660

O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
NE

PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG

213
213
213
213
214
214
214
214
215
215
215
215
215
215
216
216
216
216
216
216
216
216
216
216
216
217
217
217
217
217
217
217
217
218
218
218
218
218
218
218
218
219
219
219
219
219
219
219
219
219
219
219
220
220
220
220
220
220
220
220

1.396
1.533
2.045
2.271
-0.073
-1.150
-0.940
-1.616
-0.002
0.160
1.304
1.301
0.403
-0.694
2.285
3.477
3.218
3.962
4.301
5.122
4.786
5.970
6.075
5.116
7.186
2.116
1.970
1.455
1.613
1.243
1.770
2.929
0.976
0.835
0.263
1.179
0.683
-0.753
-1.956
-2.836
-2.772
2.474
3.323
4.687
5.022
3.431
4.093
3.378
5.439
4.037
6.077
5.390
5.504
6.775
7.906
8.504
7.133
8.292
7.902
9.058

54.633
51.404
50.493
51.392
53.922
54.829
56.284
57.111
56.648
58.087
58.717
59.922
58.340
57.769
57.882
58.384
59.303
60.235
57.244
56.440
54.948
54.153
52.856
52.166
52.243
59.056
59.915
61.319
62.245
59.123
57.688
57.293
56.982
61.479
62.769
63.888
64.977
62.522
61.673
61.234
62.534
63.686
64.819
64.737
63.753
64.916
63.691
62.512
63.739
61.388
62.605
61.425
65.789
65.747
65.222
64.201
67.137
67.109
66.699
66.751

38.888
39.998
41.130
42.317
40.509
40.152
40.388
39.811
41.238
41.435
40.671
40.418
42.923
43.590
40.321
39.663
38.555
38.316
39.047
40.078
40.189
39.944
40.251
40.849
39.926
37.875
36.710
37.004
36.232
35.561
35.126
35.379
34.501
38.151
38.481
38.890
39.123
39.583
39.135
40.309
38.169
38.997
39.401
38.679
38.017
40.933
41.557
41.757
41.860
42.194
42.308
42.456
38.825
38.078
38.885
38.568
37.507
36.491
35.066
34.146

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

15.33
10.63
10.77
11.42
8.94
12.47
19.14
24.67
24.02
26.44
25.15
24.07
30.41
33.95
20.76
15.49
16.86
16.36
15.94
18.08
11.17
15.70
10.43
9.51
11.52
17.76
19.92
15.53
12.24
27.04
27.05
26.04
24.29
14.72
8.44
6.18
8.23
8.69
6.61
2.00
8.68
6.25
10.20
17.96
22.35
7.59
7.14
2.00
2.00
6.84
7.41
2.00
18.23
20.60
22.71
22.96
20.50
18.07
27.87
32.42

1ACL1742
1ACL1743
1ACL1744
1ACL1745
1ACL1746
1ACL1747
1ACL1748
1ACL1749
1ACL1750
1ACL1751
1ACL1752
1ACL1753
1ACL1754
1ACL1755
1ACL1756
1ACL1757
1ACL1758
1ACL1759
1ACL1760
1ACL1761
1ACL1762
1ACL1763
1ACL1764
1ACL1765
1ACL1766
1ACL1767
1ACL1768
1ACL1769
1ACL1770
1ACL1771
1ACL1772
1ACL1773
1ACL1774
1ACL1775
1ACL1776
1ACL1777
1ACL1778
1ACL1779
1ACL1780
1ACL1781
1ACL1782
1ACL1783
1ACL1784
1ACL1785
1ACL1786
1ACL1787
1ACL1788
1ACL1789
1ACL1790
1ACL1791
1ACL1792
1ACL1793
1ACL1794
1ACL1795
1ACL1796
1ACL1797
1ACL1798
1ACL1799
1ACL1800
1ACL1801

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1661
1662
1663
1664
1665
1666
1667
1668
1669
1670
1671
1672
1673
1674
1675
1676
1677
1678
1679
1680
1681
1682
1683
1684
1685
1686
1687
1688
1689
1690
1691
1692
1693
1694
1695
1696
1697
1698
1699
1700
1701
1702
1703
1704
1705
1706
1707
1708
1709
1710
1711
1712
1713
1714
1715
1716
1717
1718
1719
1720

CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
OG

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER

220
220
220
221
221
221
221
221
221
221
221
221
221
221
222
222
222
222
222
223
223
223
223
223
223
223
223
224
224
224
224
224
224
224
224
225
225
225
225
225
225
225
225
225
226
226
226
226
226
226
227
227
227
227
228
228
228
228
228
228

9.285
8.477
10.371
8.168
9.254
8.758
7.616
10.435
10.009
11.239
11.825
11.477
10.578
12.046
9.640
9.182
10.259
11.434
8.902
9.799
10.637
10.129
8.964
10.496
10.739
11.371
10.329
10.970
10.536
11.253
12.476
10.949
10.357
11.041
10.556
10.523
11.168
10.959
9.855
10.589
10.688
10.106
9.469
10.355
12.023
11.932
10.941
10.075
11.495
11.979
11.027
10.070
10.504
11.196
10.156
10.485
9.353
8.684
11.765
12.775

67.692
68.725
67.589
66.014
65.750
65.881
66.253
66.639
68.060
68.918
68.637
69.397
70.367
69.206
65.619
65.695
66.251
66.189
64.260
66.793
67.358
66.704
66.911
68.889
69.678
69.453
71.151
65.950
65.276
65.963
66.091
63.763
62.837
63.103
61.365
66.415
67.078
66.268
66.188
68.492
69.288
70.666
71.016
71.482
65.658
64.837
63.679
63.476
65.693
67.031
62.921
61.837
60.968
61.423
59.687
58.765
57.853
57.915
57.978
58.938

33.198
33.015
32.440
39.941
40.866
42.312
42.566
40.507
40.192
39.978
38.682
37.652
37.782
36.468
43.265
44.630
45.520
45.154
45.056
46.675
47.738
49.023
49.354
47.899
46.597
49.012
46.707
49.741
50.983
52.175
52.172
50.974
49.899
48.571
50.242
53.206
54.350
55.653
56.170
54.457
53.163
53.307
54.277
52.327
56.185
57.383
57.207
58.045
58.553
58.529
56.112
55.955
54.790
53.880
54.856
53.769
53.790
54.795
53.957
54.162

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

29.76
25.56
29.16
23.33
22.39
23.26
27.72
16.44
10.61
20.75
23.24
30.97
27.98
40.66
19.47
19.35
21.83
20.31
14.92
22.39
22.34
22.41
24.61
22.57
24.71
15.36
9.50
20.10
16.68
16.05
16.00
14.06
2.88
2.00
2.00
14.00
15.39
17.01
22.50
10.12
11.63
10.48
20.47
9.85
16.51
8.06
11.12
13.99
5.88
10.99
10.34
6.40
8.31
6.36
3.28
9.13
10.19
19.07
11.14
24.37

1ACL1802
1ACL1803
1ACL1804
1ACL1805
1ACL1806
1ACL1807
1ACL1808
1ACL1809
1ACL1810
1ACL1811
1ACL1812
1ACL1813
1ACL1814
1ACL1815
1ACL1816
1ACL1817
1ACL1818
1ACL1819
1ACL1820
1ACL1821
1ACL1822
1ACL1823
1ACL1824
1ACL1825
1ACL1826
1ACL1827
1ACL1828
1ACL1829
1ACL1830
1ACL1831
1ACL1832
1ACL1833
1ACL1834
1ACL1835
1ACL1836
1ACL1837
1ACL1838
1ACL1839
1ACL1840
1ACL1841
1ACL1842
1ACL1843
1ACL1844
1ACL1845
1ACL1846
1ACL1847
1ACL1848
1ACL1849
1ACL1850
1ACL1851
1ACL1852
1ACL1853
1ACL1854
1ACL1855
1ACL1856
1ACL1857
1ACL1858
1ACL1859
1ACL1860
1ACL1861

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
1743
1744
1745
1746
1747
1748
1749
1750
1751
1752
1753
1754
1755
1756
1757
1758
1759
1760
1761
1762
1763
1764
1765
1766
1767
1768
1769
1770
1771
1772
1773
1774
1775
1776
1777
1778
1779
1780

N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2

PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS
CYS
CYS
CYS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL

229
229
229
229
229
229
229
230
230
230
230
230
230
230
230
231
231
231
231
231
231
232
232
232
232
232
232
232
233
233
233
233
233
233
233
233
233
233
233
233
233
233
234
234
234
234
234
235
235
235
235
235
235
236
236
236
236
236
236
236

9.044
7.853
8.094
7.195
7.645
8.919
9.761
9.384
9.907
10.279
11.189
11.168
12.323
12.155
13.504
9.658
10.034
9.142
7.955
9.766
10.909
9.692
9.006
7.601
6.755
9.768
11.145
11.000
7.384
6.061
5.030
3.853
6.159
7.043
8.447
6.634
8.903
7.851
5.414
7.768
5.359
6.523
5.455
4.501
3.851
3.136
5.143
4.062
3.272
2.966
3.768
3.959
5.392
1.809
1.605
1.331
1.013
0.361
0.440
-0.960

57.052
56.219
55.086
54.498
55.680
55.995
56.953
54.804
53.739
54.162
53.582
53.127
54.119
55.268
53.688
55.194
55.526
54.654
54.591
56.985
58.150
54.010
52.994
53.268
52.405
52.935
53.443
54.310
54.536
54.965
55.147
55.221
56.302
57.294
57.421
58.259
58.431
58.979
58.581
59.982
59.595
60.277
55.244
55.487
54.269
54.428
56.330
53.051
52.026
50.846
50.576
51.605
51.785
50.204
49.005
47.890
48.052
49.041
50.170
49.116

52.762
52.866
53.805
54.373
51.433
50.601
51.478
53.935
54.758
56.197
56.784
54.058
53.996
53.640
54.389
56.777
58.167
59.055
58.776
58.530
57.748
60.126
60.882
61.227
61.294
62.196
61.879
60.652
61.495
61.916
60.829
61.158
62.668
61.944
62.120
60.999
61.322
60.623
60.430
59.702
59.495
59.153
59.562
58.512
57.921
56.954
57.440
58.373
57.667
58.568
59.440
56.334
56.371
58.434
59.229
58.261
57.102
60.094
61.098
59.323

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

11.72
11.75
10.29
12.62
17.36
17.67
15.94
8.40
14.20
17.73
23.04
10.60
10.10
6.24
14.72
16.77
16.95
17.22
15.68
17.04
27.64
11.88
8.47
10.59
12.04
2.01
5.76
10.04
17.11
18.99
22.30
29.79
12.45
10.40
9.61
4.74
8.58
2.00
2.00
2.00
2.00
4.80
16.32
10.41
8.54
12.83
7.79
10.25
13.52
11.39
13.69
15.57
23.01
8.86
8.60
14.33
24.04
3.17
2.72
5.68

1ACL1862
1ACL1863
1ACL1864
1ACL1865
1ACL1866
1ACL1867
1ACL1868
1ACL1869
1ACL1870
1ACL1871
1ACL1872
1ACL1873
1ACL1874
1ACL1875
1ACL1876
1ACL1877
1ACL1878
1ACL1879
1ACL1880
1ACL1881
1ACL1882
1ACL1883
1ACL1884
1ACL1885
1ACL1886
1ACL1887
1ACL1888
1ACL1889
1ACL1890
1ACL1891
1ACL1892
1ACL1893
1ACL1894
1ACL1895
1ACL1896
1ACL1897
1ACL1898
1ACL1899
1ACL1900
1ACL1901
1ACL1902
1ACL1903
1ACL1904
1ACL1905
1ACL1906
1ACL1907
1ACL1908
1ACL1909
1ACL1910
1ACL1911
1ACL1912
1ACL1913
1ACL1914
1ACL1915
1ACL1916
1ACL1917
1ACL1918
1ACL1919
1ACL1920
1ACL1921

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
1799
1800
1801
1802
1803
1804
1805
1806
1807
1808
1809
1810
1811
1812
1813
1814
1815
1816
1817
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840

N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD

SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG

237
237
237
237
237
237
238
238
238
238
238
238
238
239
239
239
239
239
240
240
240
240
240
240
240
240
240
241
241
241
241
242
242
242
242
242
242
242
242
242
242
242
243
243
243
243
243
243
243
243
243
243
243
244
244
244
244
244
244
244

1.383
1.036
-0.469
-1.169
1.549
1.228
-0.940
-2.362
-3.002
-4.086
-2.534
-4.001
-1.893
-2.239
-2.643
-2.830
-3.885
-1.503
-1.728
-1.710
-2.817
-3.375
-0.345
-0.274
-0.193
0.727
-1.074
-3.124
-4.229
-5.621
-6.572
-5.698
-6.923
-7.026
-7.985
-6.866
-8.030
-8.610
-9.416
-10.264
-10.316
-11.069
-5.904
-5.652
-6.087
-6.879
-4.174
-3.840
-3.927
-2.877
-2.948
-3.935
-1.998
-5.547
-5.913
-7.389
-7.928
-5.002
-3.552
-2.587

46.691
45.601
45.540
46.177
44.295
44.294
44.649
44.473
43.984
44.362
43.509
43.235
44.133
43.079
42.460
43.492
43.648
41.508
44.217
45.209
46.211
46.728
45.848
46.956
46.320
45.545
46.575
46.502
47.434
46.867
47.598
45.519
44.817
44.900
45.373
43.342
42.423
41.549
42.396
41.931
40.632
42.782
44.433
44.370
45.677
45.723
44.063
43.413
44.347
45.376
46.466
46.652
47.390
46.768
48.049
48.376
49.075
49.212
48.856
49.942

58.748
57.867
57.875
58.658
58.453
59.844
57.027
56.895
58.131
58.557
55.758
55.521
54.506
58.691
59.911
61.011
61.602
60.307
61.253
62.291
62.076
63.028
62.387
63.445
64.800
65.037
65.609
60.826
60.654
61.061
61.417
60.966
61.325
62.829
63.435
60.834
61.286
60.148
59.283
58.356
58.057
57.717
63.391
64.797
65.481
66.416
64.960
66.296
67.543
67.566
68.375
69.270
68.263
64.967
65.541
65.328
66.168
65.097
65.363
64.974

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

17.94
18.16
20.79
21.83
22.13
28.14
23.48
24.21
26.91
29.46
20.38
21.06
26.16
27.13
25.50
24.86
24.86
26.16
22.64
20.15
18.86
16.44
22.18
31.94
37.69
42.07
45.76
17.35
21.50
22.93
18.27
23.48
26.54
24.51
22.54
30.81
40.10
41.23
49.27
54.86
63.59
58.21
22.12
17.94
13.68
9.72
21.64
40.23
50.67
50.82
52.30
49.88
53.33
12.23
9.62
11.54
14.12
2.00
2.00
2.00

1ACL1922
1ACL1923
1ACL1924
1ACL1925
1ACL1926
1ACL1927
1ACL1928
1ACL1929
1ACL1930
1ACL1931
1ACL1932
1ACL1933
1ACL1934
1ACL1935
1ACL1936
1ACL1937
1ACL1938
1ACL1939
1ACL1940
1ACL1941
1ACL1942
1ACL1943
1ACL1944
1ACL1945
1ACL1946
1ACL1947
1ACL1948
1ACL1949
1ACL1950
1ACL1951
1ACL1952
1ACL1953
1ACL1954
1ACL1955
1ACL1956
1ACL1957
1ACL1958
1ACL1959
1ACL1960
1ACL1961
1ACL1962
1ACL1963
1ACL1964
1ACL1965
1ACL1966
1ACL1967
1ACL1968
1ACL1969
1ACL1970
1ACL1971
1ACL1972
1ACL1973
1ACL1974
1ACL1975
1ACL1976
1ACL1977
1ACL1978
1ACL1979
1ACL1980
1ACL1981

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1841
1842
1843
1844
1845
1846
1847
1848
1849
1850
1851
1852
1853
1854
1855
1856
1857
1858
1859
1860
1861
1862
1863
1864
1865
1866
1867
1868
1869
1870
1871
1872
1873
1874
1875
1876
1877
1878
1879
1880
1881
1882
1883
1884
1885
1886
1887
1888
1889
1890
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900

NE
CZ
NH1
NH2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O

ARG
ARG
ARG
ARG
ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU

244
244
244
244
245
245
245
245
245
246
246
246
246
246
246
246
247
247
247
247
247
247
247
247
247
248
248
248
248
248
248
248
248
249
249
249
249
250
250
250
250
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
252
252
252
252

-1.292
-0.189
-0.206
0.977
-8.051
-9.453
-10.332
-11.471
-9.918
-9.899
-10.842
-10.588
-11.460
-10.653
-11.583
-9.198
-9.335
-9.037
-9.751
-10.239
-7.528
-7.121
-7.706
-7.631
-8.260
-9.833
-10.596
-12.053
-12.933
-10.252
-11.260
-10.697
-11.975
-12.324
-13.707
-14.188
-15.342
-13.223
-13.508
-13.589
-14.481
-12.489
-12.393
-11.639
-10.420
-10.424
-11.548
-9.292
-12.684
-12.836
-14.191
-14.507
-11.645
-10.329
-9.708
-9.848
-14.979
-16.261
-17.386
-18.582

49.420
50.145
51.444
49.530
47.907
48.294
47.408
47.779
48.824
46.228
45.561
46.204
46.434
44.063
43.389
43.645
46.550
47.196
48.478
48.816
47.461
47.313
46.001
44.993
46.009
49.211
50.431
49.986
50.562
51.441
52.596
54.036
52.389
48.850
48.418
48.211
48.489
47.719
47.445
48.727
48.903
46.530
45.175
44.198
43.766
42.806
42.114
42.544
49.663
50.884
51.586
52.522
51.886
51.501
52.296
50.271
51.188
51.871
50.901
51.150

65.287
65.139
64.856
65.268
64.255
64.135
64.979
65.194
62.791
65.450
66.406
67.762
68.577
66.516
65.518
66.290
68.008
69.265
69.425
70.489
69.452
70.921
71.476
70.763
72.588
68.348
68.480
68.576
69.195
67.348
67.133
67.223
65.779
67.997
68.014
69.381
69.711
70.169
71.561
72.352
73.164
72.225
71.554
72.459
71.812
70.872
70.617
70.196
72.106
72.933
72.670
73.367
72.898
73.620
74.331
73.396
71.671
71.469
71.770
71.760

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

2.00
5.80
2.00
4.07
11.59
11.81
16.93
19.78
11.63
20.19
21.17
19.95
21.82
23.73
32.94
27.27
18.30
18.68
15.71
21.31
23.32
31.01
36.42
35.93
38.84
11.26
9.56
8.24
10.36
3.55
13.52
8.26
10.57
10.93
12.79
15.86
10.77
19.56
25.94
27.88
30.98
22.70
20.84
29.85
40.47
46.77
50.29
45.60
28.63
30.55
26.76
30.26
30.06
39.19
42.17
38.14
23.61
26.17
28.36
19.81

1ACL1982
1ACL1983
1ACL1984
1ACL1985
1ACL1986
1ACL1987
1ACL1988
1ACL1989
1ACL1990
1ACL1991
1ACL1992
1ACL1993
1ACL1994
1ACL1995
1ACL1996
1ACL1997
1ACL1998
1ACL1999
1ACL2000
1ACL2001
1ACL2002
1ACL2003
1ACL2004
1ACL2005
1ACL2006
1ACL2007
1ACL2008
1ACL2009
1ACL2010
1ACL2011
1ACL2012
1ACL2013
1ACL2014
1ACL2015
1ACL2016
1ACL2017
1ACL2018
1ACL2019
1ACL2020
1ACL2021
1ACL2022
1ACL2023
1ACL2024
1ACL2025
1ACL2026
1ACL2027
1ACL2028
1ACL2029
1ACL2030
1ACL2031
1ACL2032
1ACL2033
1ACL2034
1ACL2035
1ACL2036
1ACL2037
1ACL2038
1ACL2039
1ACL2040
1ACL2041

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1901
1902
1903
1904
1905
1906
1907
1908
1909
1910
1911
1912
1913
1914
1915
1916
1917
1918
1919
1920
1921
1922
1923
1924
1925
1926
1927
1928
1929
1930
1931
1932
1933
1934
1935
1936
1937
1938
1939
1940
1941
1942
1943
1944
1945
1946
1947
1948
1949
1950
1951
1952
1953
1954
1955
1956
1957
1958
1959
1960

CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA

LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS
CYS
CYS
CYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLU
GLU
GLU
GLU
GLU
GLU
GLU

252
252
252
252
253
253
253
253
253
253
253
253
254
254
254
254
254
254
255
255
255
255
255
255
255
255
256
256
256
256
256
256
256
256
257
257
257
257
257
258
258
258
258
258
258
259
259
259
259
259
259
259
259
260
260
260
260
260
261
261

-16.265
-15.135
-14.780
-15.487
-16.933
-17.846
-18.714
-19.926
-18.700
-18.845
-17.926
-20.048
-18.014
-18.689
-18.887
-18.319
-17.869
-18.053
-19.726
-19.972
-18.820
-18.581
-21.287
-21.509
-20.743
-22.547
-18.105
-16.925
-17.121
-16.158
-15.784
-14.894
-15.559
-13.491
-18.344
-18.460
-18.337
-17.332
-19.813
-19.477
-19.528
-18.747
-19.175
-21.017
-21.816
-17.606
-16.734
-17.468
-17.096
-15.783
-14.713
-15.072
-13.526
-18.575
-19.452
-20.111
-20.421
-20.548
-20.355
-20.906

52.644
53.711
54.204
54.931
49.708
48.685
48.254
48.101
49.186
48.081
47.303
48.038
48.080
47.678
46.197
45.376
48.081
49.833
45.857
44.461
44.014
44.542
44.253
42.768
41.968
42.402
43.056
42.585
41.259
40.573
42.482
43.738
44.857
43.454
40.836
39.537
39.777
39.654
38.882
40.195
40.438
41.692
42.782
40.483
39.530
41.530
42.632
43.888
45.029
42.018
42.976
44.030
42.666
43.648
44.659
45.552
46.734
43.899
44.863
45.413

70.156
70.138
68.731
70.986
72.107
72.509
71.413
71.525
73.685
74.697
74.957
75.279
70.302
69.086
68.995
69.704
67.869
67.549
68.016
67.790
66.953
65.885
67.061
67.163
66.651
67.903
67.471
66.788
66.112
65.834
67.843
67.887
68.678
68.438
65.860
65.213
63.740
63.047
65.522
63.224
61.816
61.487
61.811
61.394
62.128
60.826
60.425
59.868
60.039
59.403
58.946
58.419
59.114
59.150
58.553
59.638
59.433
57.807
60.805
62.053

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

26.03
30.69
36.83
33.06
34.59
41.17
40.26
40.33
53.07
62.34
64.08
68.49
38.36
37.96
41.34
45.20
29.02
20.97
43.79
44.83
42.87
42.03
49.24
55.80
58.87
61.52
44.42
44.94
45.60
49.17
41.10
41.31
38.97
41.46
46.55
46.24
46.56
46.36
45.80
46.80
47.85
44.72
45.91
52.31
56.38
40.40
38.08
36.80
32.10
40.89
49.39
52.08
52.38
38.12
34.19
34.31
29.96
33.77
30.02
29.08

1ACL2042
1ACL2043
1ACL2044
1ACL2045
1ACL2046
1ACL2047
1ACL2048
1ACL2049
1ACL2050
1ACL2051
1ACL2052
1ACL2053
1ACL2054
1ACL2055
1ACL2056
1ACL2057
1ACL2058
1ACL2059
1ACL2060
1ACL2061
1ACL2062
1ACL2063
1ACL2064
1ACL2065
1ACL2066
1ACL2067
1ACL2068
1ACL2069
1ACL2070
1ACL2071
1ACL2072
1ACL2073
1ACL2074
1ACL2075
1ACL2076
1ACL2077
1ACL2078
1ACL2079
1ACL2080
1ACL2081
1ACL2082
1ACL2083
1ACL2084
1ACL2085
1ACL2086
1ACL2087
1ACL2088
1ACL2089
1ACL2090
1ACL2091
1ACL2092
1ACL2093
1ACL2094
1ACL2095
1ACL2096
1ACL2097
1ACL2098
1ACL2099
1ACL2100
1ACL2101

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1961
1962
1963
1964
1965
1966
1967
1968
1969
1970
1971
1972
1973
1974
1975
1976
1977
1978
1979
1980
1981
1982
1983
1984
1985
1986
1987
1988
1989
1990
1991
1992
1993
1994
1995
1996
1997
1998
1999
2000
2001
2002
2003
2004
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
2016
2017
2018
2019
2020

C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA

GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU

261
261
261
261
261
261
261
262
262
262
262
262
262
262
262
263
263
263
263
263
263
263
263
264
264
264
264
264
264
264
264
264
264
265
265
265
265
265
265
266
266
266
266
266
266
266
266
267
267
267
267
267
267
267
267
267
267
267
268
268

-19.846
-20.110
-21.363
-22.668
-22.890
-21.930
-24.014
-18.595
-17.539
-17.606
-17.725
-16.216
-15.087
-13.846
-14.787
-17.596
-17.666
-18.921
-18.911
-17.583
-16.260
-17.786
-15.064
-20.003
-21.197
-21.158
-21.454
-22.438
-23.672
-24.641
-23.992
-25.525
-25.150
-20.774
-20.719
-19.916
-20.398
-20.135
-19.977
-18.684
-17.876
-18.507
-18.411
-16.547
-15.800
-14.408
-15.663
-19.200
-19.791
-20.905
-21.383
-20.253
-19.167
-19.460
-20.096
-19.384
-18.084
-20.025
-21.336
-22.423

46.263
47.249
44.347
43.630
42.472
41.749
42.317
45.858
46.673
48.032
49.122
45.984
46.385
45.489
47.850
47.886
49.043
49.854
51.076
48.657
47.959
49.882
48.875
49.152
49.931
50.684
51.867
49.041
49.854
49.438
51.167
50.452
51.496
49.937
50.540
51.817
52.863
49.488
50.031
51.731
52.924
54.006
55.199
52.540
51.498
51.193
51.940
53.577
54.563
55.332
56.329
53.865
53.594
54.233
53.287
52.494
52.682
51.459
54.792
55.449

62.777
63.459
63.036
62.657
63.628
63.912
64.112
62.628
63.222
62.522
63.100
62.929
63.846
63.589
63.657
61.187
60.311
60.555
60.502
58.808
58.461
57.913
58.796
60.832
61.023
62.342
62.479
60.886
61.244
62.094
60.808
62.181
61.414
63.348
64.654
64.639
65.032
65.556
67.258
64.107
64.042
63.174
63.393
63.427
64.256
63.688
65.714
62.137
61.260
61.925
61.365
59.941
58.866
57.495
56.604
55.769
55.485
55.240
63.096
63.861

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

24.36
21.39
35.70
43.71
46.63
47.57
52.34
19.39
15.57
16.37
14.52
10.99
5.53
2.00
9.82
16.75
21.59
24.33
19.46
16.94
12.21
13.65
18.26
27.66
35.93
32.57
33.97
51.39
66.57
72.89
70.48
78.19
77.49
26.53
22.11
17.82
18.38
25.38
25.83
15.41
13.21
19.28
20.56
9.22
12.18
2.36
15.19
20.60
18.48
19.24
13.43
20.21
13.45
17.62
25.65
29.26
25.46
28.46
22.12
29.14

1ACL2102
1ACL2103
1ACL2104
1ACL2105
1ACL2106
1ACL2107
1ACL2108
1ACL2109
1ACL2110
1ACL2111
1ACL2112
1ACL2113
1ACL2114
1ACL2115
1ACL2116
1ACL2117
1ACL2118
1ACL2119
1ACL2120
1ACL2121
1ACL2122
1ACL2123
1ACL2124
1ACL2125
1ACL2126
1ACL2127
1ACL2128
1ACL2129
1ACL2130
1ACL2131
1ACL2132
1ACL2133
1ACL2134
1ACL2135
1ACL2136
1ACL2137
1ACL2138
1ACL2139
1ACL2140
1ACL2141
1ACL2142
1ACL2143
1ACL2144
1ACL2145
1ACL2146
1ACL2147
1ACL2148
1ACL2149
1ACL2150
1ACL2151
1ACL2152
1ACL2153
1ACL2154
1ACL2155
1ACL2156
1ACL2157
1ACL2158
1ACL2159
1ACL2160
1ACL2161

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
2043
2044
2045
2046
2047
2048
2049
2050
2051
2052
2053
2054
2055
2056
2057
2058
2059
2060
2061
2062
2063
2064
2065
2066
2067
2068
2069
2070
2071
2072
2073
2074
2075
2076
2077
2078
2079
2080

C
O
CB
CG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1

GLU
GLU
GLU
GLU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE

268
268
268
268
269
269
269
269
269
269
269
269
269
270
270
270
270
270
270
271
271
271
271
271
271
271
272
272
272
272
272
272
272
272
272
273
273
273
273
273
273
273
273
273
274
274
274
274
274
274
274
274
275
275
275
275
275
275
275
275

-21.897
-22.670
-23.551
-24.388
-20.636
-20.109
-19.810
-19.524
-18.780
-18.907
-19.945
-19.687
-20.843
-19.832
-19.530
-18.019
-17.321
-20.140
-21.610
-17.477
-16.092
-15.214
-14.286
-15.774
-17.029
-18.054
-15.574
-14.713
-14.595
-13.603
-15.027
-13.781
-13.113
-13.790
-11.769
-15.565
-15.398
-14.206
-13.410
-16.623
-17.828
-19.182
-19.424
-19.989
-14.101
-12.972
-11.703
-10.643
-13.222
-14.379
-15.690
-14.005
-11.811
-10.583
-10.085
-8.904
-10.784
-11.275
-9.512
-11.320

56.244
56.996
54.508
53.742
56.015
56.792
58.187
58.342
56.171
55.267
54.147
53.115
52.311
59.200
60.561
60.759
59.993
61.559
61.245
61.791
61.737
61.750
60.968
63.012
63.874
63.118
62.639
62.726
61.447
61.298
63.883
64.484
65.574
66.392
65.573
60.519
59.300
58.540
58.070
58.401
59.163
58.490
57.436
59.035
58.501
57.845
58.616
58.023
57.745
56.753
57.501
55.752
59.949
60.694
60.427
60.263
62.183
62.400
63.022
63.891

65.052
65.635
64.411
63.391
65.460
66.593
66.098
64.933
67.015
68.209
68.117
69.257
69.598
66.950
66.458
66.390
67.039
67.443
67.673
65.708
65.365
66.577
66.717
64.555
64.616
65.498
67.513
68.696
69.484
70.166
69.675
70.382
69.511
68.893
69.449
69.409
70.232
69.790
70.597
70.249
70.837
70.592
71.181
69.828
68.456
67.816
68.088
68.193
66.297
65.987
65.695
64.884
68.226
68.465
69.856
70.132
68.190
66.753
68.468
66.359

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

30.06
32.42
30.42
22.76
29.27
27.35
23.83
29.50
26.22
26.54
28.22
32.66
35.83
21.34
21.17
19.91
29.18
21.12
28.67
13.77
13.99
17.08
18.05
9.45
13.33
17.51
20.14
21.80
18.95
19.33
22.98
29.83
36.25
38.72
29.46
18.15
19.30
17.07
16.79
21.87
28.47
32.38
34.09
32.02
13.66
8.25
6.32
6.40
7.48
13.15
12.02
8.98
5.72
6.44
9.60
10.64
8.00
6.50
4.98
11.02

1ACL2162
1ACL2163
1ACL2164
1ACL2165
1ACL2166
1ACL2167
1ACL2168
1ACL2169
1ACL2170
1ACL2171
1ACL2172
1ACL2173
1ACL2174
1ACL2175
1ACL2176
1ACL2177
1ACL2178
1ACL2179
1ACL2180
1ACL2181
1ACL2182
1ACL2183
1ACL2184
1ACL2185
1ACL2186
1ACL2187
1ACL2188
1ACL2189
1ACL2190
1ACL2191
1ACL2192
1ACL2193
1ACL2194
1ACL2195
1ACL2196
1ACL2197
1ACL2198
1ACL2199
1ACL2200
1ACL2201
1ACL2202
1ACL2203
1ACL2204
1ACL2205
1ACL2206
1ACL2207
1ACL2208
1ACL2209
1ACL2210
1ACL2211
1ACL2212
1ACL2213
1ACL2214
1ACL2215
1ACL2216
1ACL2217
1ACL2218
1ACL2219
1ACL2220
1ACL2221

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2081
2082
2083
2084
2085
2086
2087
2088
2089
2090
2091
2092
2093
2094
2095
2096
2097
2098
2099
2100
2101
2102
2103
2104
2105
2106
2107
2108
2109
2110
2111
2112
2113
2114
2115
2116
2117
2118
2119
2120
2121
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140

N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1

ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU

276
276
276
276
276
276
276
276
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
279
279
279
279
279
279
279
280
280
280
280
280
280
280
280
281
281
281
281
281
281
281
282
282
282
282
282
282
282

-11.056
-10.798
-10.082
-9.002
-12.126
-12.672
-12.090
-13.695
-10.627
-9.909
-8.817
-8.222
-10.934
-12.145
-11.520
-8.568
-7.596
-6.233
-5.477
-7.302
-6.164
-6.555
-7.463
-6.031
-5.881
-4.512
-4.431
-3.335
-3.802
-3.682
-4.610
-2.623
-4.164
-2.935
-1.440
-2.063
-0.582
-0.884
-5.570
-5.468
-5.416
-5.851
-6.743
-6.931
-5.951
-8.196
-4.959
-4.932
-3.605
-3.444
-5.848
-7.290
-5.504
-2.654
-1.306
-0.925
-1.492
-0.299
-0.273
0.355

60.373
60.100
58.794
58.850
60.068
61.484
62.464
61.567
57.641
56.391
56.044
54.958
55.251
55.580
54.880
56.995
56.766
56.307
55.864
58.106
58.177
59.267
59.003
60.380
56.433
56.040
54.848
54.396
57.198
58.386
59.437
58.704
60.400
60.021
58.067
60.617
58.693
59.960
54.316
53.160
51.937
50.917
53.014
54.264
54.878
54.655
52.020
50.858
50.525
49.444
51.054
51.045
52.334
51.435
51.025
49.801
49.550
52.068
53.194
54.457

70.744
72.118
72.342
72.906
72.837
73.013
72.463
73.713
71.909
72.178
71.133
71.129
72.293
73.151
70.938
70.222
69.162
69.559
68.723
68.495
67.424
66.443
65.645
66.509
70.808
71.102
71.964
72.238
71.797
70.873
70.768
70.026
69.924
69.461
69.685
68.567
68.769
68.251
72.389
73.295
72.525
73.015
74.144
74.918
75.322
75.106
71.292
70.437
70.012
69.507
69.245
69.768
68.470
70.159
69.781
70.560
71.609
70.200
69.177
69.686

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

9.03
6.21
7.03
8.19
8.86
19.02
18.45
19.60
3.61
4.79
8.77
5.94
5.24
6.67
15.82
8.69
10.41
11.03
11.07
15.90
12.39
18.57
26.19
23.40
11.51
13.80
10.12
4.54
13.69
16.02
22.36
18.50
23.99
20.63
25.92
23.71
32.22
31.99
12.56
14.70
16.70
26.24
19.06
27.84
24.26
35.74
20.01
14.83
10.54
13.51
14.73
12.00
18.02
11.54
14.13
18.01
30.43
11.70
5.82
4.69

1ACL2222
1ACL2223
1ACL2224
1ACL2225
1ACL2226
1ACL2227
1ACL2228
1ACL2229
1ACL2230
1ACL2231
1ACL2232
1ACL2233
1ACL2234
1ACL2235
1ACL2236
1ACL2237
1ACL2238
1ACL2239
1ACL2240
1ACL2241
1ACL2242
1ACL2243
1ACL2244
1ACL2245
1ACL2246
1ACL2247
1ACL2248
1ACL2249
1ACL2250
1ACL2251
1ACL2252
1ACL2253
1ACL2254
1ACL2255
1ACL2256
1ACL2257
1ACL2258
1ACL2259
1ACL2260
1ACL2261
1ACL2262
1ACL2263
1ACL2264
1ACL2265
1ACL2266
1ACL2267
1ACL2268
1ACL2269
1ACL2270
1ACL2271
1ACL2272
1ACL2273
1ACL2274
1ACL2275
1ACL2276
1ACL2277
1ACL2278
1ACL2279
1ACL2280
1ACL2281

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2141
2142
2143
2144
2145
2146
2147
2148
2149
2150
2151
2152
2153
2154
2155
2156
2157
2158
2159
2160
2161
2162
2163
2164
2165
2166
2167
2168
2169
2170
2171
2172
2173
2174
2175
2176
2177
2178
2179
2180
2181
2182
2183
2184
2185
2186
2187
2188
2189
2190
2191
2192
2193
2194
2195
2196
2197
2198
2199
2200

CD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA

LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE

282
283
283
283
283
283
283
283
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286
286
286
286
287
287
287
287
287
287
287
287
288
288
288
288
288
288
288
288
288
288
288
289
289
289
289
289
289
289
289
289
289
289
290
290

0.521
0.015
0.407
1.590
2.123
0.848
1.121
0.508
2.051
3.246
3.462
2.709
4.545
4.569
4.487
4.729
5.765
6.803
5.145
4.911
4.397
5.240
5.476
6.413
6.230
5.086
5.873
5.571
7.315
7.287
7.405
7.784
8.503
8.316
9.860
9.641
7.082
7.163
6.626
7.240
8.563
8.675
7.688
9.813
7.890
10.029
9.047
5.389
4.769
3.325
2.958
5.147
5.177
6.577
7.591
8.832
9.100
9.785
2.565
1.185

52.739
49.036
47.821
47.891
46.840
46.882
47.761
49.134
49.078
49.058
50.417
51.349
48.595
48.893
50.523
51.847
52.361
51.716
51.786
53.026
54.017
52.990
53.511
53.988
55.413
55.833
53.520
52.121
56.086
57.471
57.358
56.296
58.094
59.544
57.891
60.065
58.407
58.476
57.266
56.619
58.760
59.679
59.709
60.492
60.577
61.332
61.376
56.967
55.837
56.230
56.793
54.643
53.447
52.830
53.823
53.377
52.063
54.242
56.040
56.474

67.967
70.074
70.798
71.763
72.122
69.648
68.428
68.719
72.182
73.047
73.654
73.389
72.263
70.775
74.516
75.086
74.114
73.924
76.559
77.434
76.931
78.627
73.476
72.490
72.308
72.435
71.102
71.033
71.953
71.610
70.038
69.569
72.324
72.633
71.617
73.203
69.245
67.753
67.039
66.196
67.211
66.010
65.031
65.888
63.980
64.815
63.862
67.382
66.752
66.820
67.853
67.528
66.616
66.451
66.164
65.886
65.903
65.578
65.703
65.658

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

17.47
18.19
19.26
17.99
18.11
18.97
19.69
22.51
17.63
18.39
16.67
19.06
17.95
15.44
12.58
14.59
18.94
17.95
17.55
21.76
30.63
22.52
20.20
19.40
19.05
17.98
18.10
26.41
16.70
15.62
17.74
17.65
14.61
18.28
10.50
32.56
19.72
14.23
14.34
17.71
15.03
17.01
10.32
15.40
17.99
2.00
12.61
9.87
5.54
11.58
10.99
2.00
11.95
5.57
2.01
10.26
13.21
6.76
9.79
6.27

1ACL2282
1ACL2283
1ACL2284
1ACL2285
1ACL2286
1ACL2287
1ACL2288
1ACL2289
1ACL2290
1ACL2291
1ACL2292
1ACL2293
1ACL2294
1ACL2295
1ACL2296
1ACL2297
1ACL2298
1ACL2299
1ACL2300
1ACL2301
1ACL2302
1ACL2303
1ACL2304
1ACL2305
1ACL2306
1ACL2307
1ACL2308
1ACL2309
1ACL2310
1ACL2311
1ACL2312
1ACL2313
1ACL2314
1ACL2315
1ACL2316
1ACL2317
1ACL2318
1ACL2319
1ACL2320
1ACL2321
1ACL2322
1ACL2323
1ACL2324
1ACL2325
1ACL2326
1ACL2327
1ACL2328
1ACL2329
1ACL2330
1ACL2331
1ACL2332
1ACL2333
1ACL2334
1ACL2335
1ACL2336
1ACL2337
1ACL2338
1ACL2339
1ACL2340
1ACL2341

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2201
2202
2203
2204
2205
2206
2207
2208
2209
2210
2211
2212
2213
2214
2215
2216
2217
2218
2219
2220
2221
2222
2223
2224
2225
2226
2227
2228
2229
2230
2231
2232
2233
2234
2235
2236
2237
2238
2239
2240
2241
2242
2243
2244
2245
2246
2247
2248
2249
2250
2251
2252
2253
2254
2255
2256
2257
2258
2259
2260

C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ASP
ASP
ASP
ASP
ASP

290
290
290
290
290
290
290
290
290
291
291
291
291
291
291
292
292
292
292
292
292
292
292
292
292
292
293
293
293
293
293
293
293
294
294
294
294
294
294
294
295
295
295
295
295
295
295
296
296
296
296
296
296
296
296
297
297
297
297
297

0.237
0.615
1.062
2.096
2.108
3.128
3.146
4.177
4.195
-1.040
-1.991
-2.458
-2.225
-3.291
-2.950
-3.183
-3.696
-2.829
-2.678
-5.130
-5.991
-6.347
-6.416
-7.165
-7.210
-7.598
-2.265
-1.349
-1.590
-2.358
-0.044
0.812
0.684
-0.887
-0.899
-0.546
0.510
0.174
0.332
-0.135
-1.457
-1.149
-0.470
-0.765
-2.442
-3.650
-2.325
0.443
1.085
0.187
0.396
2.485
3.220
3.283
3.013
-0.836
-1.821
-1.676
-2.593
-3.225

55.307
54.283
57.542
58.591
59.463
58.668
60.388
59.580
60.439
55.496
54.409
54.057
52.914
54.532
54.719
54.970
54.656
55.316
56.538
55.108
54.498
53.180
55.236
52.618
54.677
53.368
54.402
54.806
53.949
52.982
54.609
53.487
55.919
54.322
53.530
52.042
51.634
54.196
55.620
55.574
51.224
49.797
49.456
50.015
49.024
49.578
47.527
48.513
48.102
47.019
45.837
47.607
48.723
47.201
50.091
47.435
46.463
45.800
45.073
47.075

65.385
64.822
64.576
64.725
65.804
63.810
66.004
64.003
65.104
65.772
65.612
64.234
63.853
66.434
67.757
63.540
62.179
61.105
60.941
61.989
63.036
62.909
64.124
63.857
65.096
64.942
60.322
59.316
58.025
58.026
60.134
59.584
60.381
56.923
55.727
55.862
56.366
54.854
55.363
56.793
55.351
55.392
54.047
52.987
55.659
54.900
55.367
54.077
52.838
52.318
52.526
53.190
53.903
51.978
53.235
51.618
51.189
49.908
49.582
51.191

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

9.41
11.55
3.11
3.86
8.88
15.77
2.00
12.94
3.75
10.75
13.51
16.69
22.58
12.33
11.05
13.30
11.84
16.56
15.85
11.32
9.46
10.16
11.95
16.38
7.95
16.98
14.87
11.36
14.10
21.46
5.16
9.70
6.21
9.65
5.86
8.47
5.54
5.70
5.36
6.77
6.85
5.58
8.55
16.07
2.00
4.66
6.45
2.91
7.78
10.02
14.66
2.44
7.25
2.00
19.66
10.23
12.97
15.90
19.04
18.97

1ACL2342
1ACL2343
1ACL2344
1ACL2345
1ACL2346
1ACL2347
1ACL2348
1ACL2349
1ACL2350
1ACL2351
1ACL2352
1ACL2353
1ACL2354
1ACL2355
1ACL2356
1ACL2357
1ACL2358
1ACL2359
1ACL2360
1ACL2361
1ACL2362
1ACL2363
1ACL2364
1ACL2365
1ACL2366
1ACL2367
1ACL2368
1ACL2369
1ACL2370
1ACL2371
1ACL2372
1ACL2373
1ACL2374
1ACL2375
1ACL2376
1ACL2377
1ACL2378
1ACL2379
1ACL2380
1ACL2381
1ACL2382
1ACL2383
1ACL2384
1ACL2385
1ACL2386
1ACL2387
1ACL2388
1ACL2389
1ACL2390
1ACL2391
1ACL2392
1ACL2393
1ACL2394
1ACL2395
1ACL2396
1ACL2397
1ACL2398
1ACL2399
1ACL2400
1ACL2401

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
2277
2278
2279
2280
2281
2282
2283
2284
2285
2286
2287
2288
2289
2290
2291
2292
2293
2294
2295
2296
2297
2298
2299
2300
2301
2302
2303
2304
2305
2306
2307
2308
2309
2310
2311
2312
2313
2314
2315
2316
2317
2318
2319
2320

CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB

ASP
ASP
ASP
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU

297
297
297
298
298
298
298
299
299
299
299
299
299
300
300
300
300
300
300
300
300
300
300
300
301
301
301
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
303
303
303
303
303
303
303
304
304
304
304
304
304
305
305
305
305
305

-3.328
-2.312
-4.460
-0.650
-0.697
-1.338
-0.917
-2.457
-3.056
-2.435
-2.078
-4.583
-5.127
-2.291
-1.648
-0.135
0.635
-2.274
-1.938
-0.647
-2.897
-0.261
-2.524
-1.205
0.300
1.710
1.699
1.300
2.315
2.158
1.015
3.141
0.861
2.976
1.839
2.156
2.137
2.770
2.380
2.898
2.995
2.693
3.803
4.518
5.316
5.257
5.349
6.038
6.437
6.107
6.844
7.738
8.336
7.452
8.685
7.856
8.644
10.078
10.855
8.507

48.350
48.997
48.696
46.015
45.201
45.953
45.935
46.589
47.465
48.786
48.896
47.435
48.330
49.799
51.034
50.817
51.461
51.687
53.154
53.579
54.127
54.926
55.471
55.878
49.917
49.575
48.117
47.310
49.574
50.882
51.131
51.831
52.369
53.063
53.339
47.804
46.442
45.444
44.290
46.513
47.990
48.776
45.917
44.971
45.766
46.985
44.105
43.059
44.849
45.038
45.713
46.814
46.714
44.680
44.145
47.871
48.947
48.584
49.237
50.132

50.346
50.060
49.999
49.117
47.881
46.748
45.605
47.056
46.033
46.491
47.658
46.076
44.973
45.677
46.224
46.328
45.619
47.488
47.578
47.878
47.326
47.908
47.327
47.602
47.225
47.358
46.982
47.818
48.767
49.456
50.198
49.315
50.778
49.893
50.615
45.742
45.265
46.183
46.309
43.938
43.521
44.769
46.850
47.658
48.673
48.766
46.652
47.271
45.912
49.439
50.466
49.890
48.833
51.444
50.982
50.656
50.175
50.071
49.399
51.131

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

23.17
16.87
31.59
20.98
25.71
26.47
23.16
28.63
27.79
26.93
32.18
29.64
36.42
20.86
17.13
15.06
14.51
3.97
2.00
6.22
2.00
2.00
5.48
4.57
14.57
16.44
18.97
15.36
20.26
19.38
16.64
17.20
20.02
17.07
17.77
19.98
16.10
18.12
24.70
15.23
17.29
19.84
17.71
16.86
14.93
14.27
11.04
21.29
14.11
14.95
17.35
13.61
18.88
16.49
19.24
7.18
11.35
12.61
13.75
11.46

1ACL2402
1ACL2403
1ACL2404
1ACL2405
1ACL2406
1ACL2407
1ACL2408
1ACL2409
1ACL2410
1ACL2411
1ACL2412
1ACL2413
1ACL2414
1ACL2415
1ACL2416
1ACL2417
1ACL2418
1ACL2419
1ACL2420
1ACL2421
1ACL2422
1ACL2423
1ACL2424
1ACL2425
1ACL2426
1ACL2427
1ACL2428
1ACL2429
1ACL2430
1ACL2431
1ACL2432
1ACL2433
1ACL2434
1ACL2435
1ACL2436
1ACL2437
1ACL2438
1ACL2439
1ACL2440
1ACL2441
1ACL2442
1ACL2443
1ACL2444
1ACL2445
1ACL2446
1ACL2447
1ACL2448
1ACL2449
1ACL2450
1ACL2451
1ACL2452
1ACL2453
1ACL2454
1ACL2455
1ACL2456
1ACL2457
1ACL2458
1ACL2459
1ACL2460
1ACL2461

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2321
2322
2323
2324
2325
2326
2327
2328
2329
2330
2331
2332
2333
2334
2335
2336
2337
2338
2339
2340
2341
2342
2343
2344
2345
2346
2347
2348
2349
2350
2351
2352
2353
2354
2355
2356
2357
2358
2359
2360
2361
2362
2363
2364
2365
2366
2367
2368
2369
2370
2371
2372
2373
2374
2375
2376
2377
2378
2379
2380

CG
CD1
CD2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2

LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN

305
305
305
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
308
308
308
308
308
308
308
308
309
309
309
309
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
311
312
312
312
312
313
313
313
313
313
313
313
313

7.137
5.995
7.150
10.462
11.861
12.059
13.050
12.449
14.000
14.838
14.240
16.091
11.088
11.326
11.350
12.248
10.245
9.919
10.343
10.268
11.535
12.109
8.999
7.767
6.215
6.292
12.001
13.204
14.333
15.106
13.535
13.180
11.689
13.623
14.361
15.433
15.487
16.552
15.399
16.197
16.835
16.150
14.317
14.264
14.053
13.920
13.233
11.951
13.959
13.794
12.384
12.051
11.523
10.154
9.601
9.074
9.427
7.931
7.245
7.393

50.806
49.923
52.090
47.546
47.268
46.668
46.956
46.453
46.344
47.673
48.757
47.606
45.854
45.309
46.417
46.517
44.340
43.489
47.272
48.341
49.184
49.487
49.155
48.277
49.212
50.154
49.517
50.313
49.529
49.998
50.650
52.083
52.369
52.280
48.260
47.414
47.170
46.882
46.052
45.970
46.894
44.760
47.252
46.967
48.173
48.054
45.893
46.305
49.360
50.466
50.611
51.417
49.813
49.943
51.196
51.172
48.712
48.714
49.702
47.500

51.058
51.528
51.878
50.790
50.670
49.308
48.643
51.829
51.701
51.832
51.894
51.874
48.863
47.541
46.521
45.701
47.091
48.168
46.604
45.643
45.585
44.535
45.884
45.726
45.823
44.270
46.775
46.808
46.168
45.349
48.282
48.699
48.594
50.128
46.546
46.079
44.592
44.039
46.793
48.096
48.593
48.667
43.958
42.525
41.674
40.471
42.207
42.652
42.256
41.309
40.872
40.023
41.473
41.064
41.692
42.798
41.576
41.324
41.118
41.364

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

10.90
13.58
12.95
16.51
24.49
26.64
27.35
27.92
44.29
51.56
53.90
51.81
23.58
26.86
27.04
32.15
31.69
39.67
21.06
19.74
20.68
20.71
15.77
18.72
26.26
27.51
19.88
19.54
21.61
19.95
21.14
19.89
25.10
26.51
22.26
24.41
24.69
25.07
31.81
38.82
42.25
42.69
21.99
17.99
16.39
17.45
13.75
25.72
18.88
15.49
17.23
21.39
14.33
11.44
13.19
19.37
11.86
14.38
13.69
15.55

1ACL2462
1ACL2463
1ACL2464
1ACL2465
1ACL2466
1ACL2467
1ACL2468
1ACL2469
1ACL2470
1ACL2471
1ACL2472
1ACL2473
1ACL2474
1ACL2475
1ACL2476
1ACL2477
1ACL2478
1ACL2479
1ACL2480
1ACL2481
1ACL2482
1ACL2483
1ACL2484
1ACL2485
1ACL2486
1ACL2487
1ACL2488
1ACL2489
1ACL2490
1ACL2491
1ACL2492
1ACL2493
1ACL2494
1ACL2495
1ACL2496
1ACL2497
1ACL2498
1ACL2499
1ACL2500
1ACL2501
1ACL2502
1ACL2503
1ACL2504
1ACL2505
1ACL2506
1ACL2507
1ACL2508
1ACL2509
1ACL2510
1ACL2511
1ACL2512
1ACL2513
1ACL2514
1ACL2515
1ACL2516
1ACL2517
1ACL2518
1ACL2519
1ACL2520
1ACL2521

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2381
2382
2383
2384
2385
2386
2387
2388
2389
2390
2391
2392
2393
2394
2395
2396
2397
2398
2399
2400
2401
2402
2403
2404
2405
2406
2407
2408
2409
2410
2411
2412
2413
2414
2415
2416
2417
2418
2419
2420
2421
2422
2423
2424
2425
2426
2427
2428
2429
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440

N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU

314
314
314
314
314
314
314
314
314
314
314
315
315
315
315
315
315
315
315
315
316
316
316
316
316
316
316
316
316
317
317
317
317
317
317
317
318
318
318
318
318
318
318
318
318
319
319
319
319
319
319
319
319
320
320
320
320
320
320
320

9.787
9.254
9.479
10.282
9.916
11.418
12.269
11.943
13.618
13.313
14.133
8.748
8.908
10.359
10.956
8.249
7.867
6.832
6.650
6.465
10.893
12.304
12.532
12.870
13.137
13.054
13.437
13.062
13.431
12.349
12.564
13.698
14.418
11.295
11.191
10.937
13.861
14.864
14.075
12.934
15.707
14.919
14.248
13.026
15.076
14.708
14.080
15.046
16.262
13.786
15.076
12.617
14.873
14.445
15.177
14.692
13.485
14.820
15.788
16.327

52.315
53.558
54.625
54.446
53.945
53.760
54.695
52.665
54.590
52.549
53.510
55.745
56.853
57.225
57.130
58.165
59.138
60.154
61.333
60.911
57.700
58.052
59.447
59.657
57.079
55.733
54.566
53.247
52.183
60.390
61.808
62.143
61.270
62.465
63.835
62.200
63.429
63.884
64.379
64.805
65.018
66.195
65.831
65.861
65.408
64.328
64.740
65.576
65.539
63.488
62.654
62.644
61.428
66.293
67.136
66.751
66.813
68.593
69.488
70.551

41.035
41.556
40.496
39.575
42.888
42.953
42.381
43.606
42.462
43.691
43.129
40.626
39.676
39.639
40.696
40.188
39.079
39.506
38.545
37.176
38.485
38.454
37.987
36.852
37.635
38.318
37.441
38.092
37.176
38.882
38.687
39.613
40.111
39.160
38.837
40.618
39.849
40.763
41.916
41.742
40.238
39.699
38.428
38.353
37.464
43.097
44.325
45.076
44.861
45.168
45.306
44.566
46.206
46.002
46.912
48.299
48.535
46.682
47.443
46.481

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

11.07
12.45
14.49
16.57
12.00
6.94
2.00
7.54
2.00
3.25
2.00
11.92
11.68
14.42
17.05
4.92
2.59
7.83
13.38
17.15
15.26
11.99
10.70
15.81
2.00
8.12
19.07
19.80
28.64
9.75
4.96
8.10
10.60
3.46
7.11
2.00
5.98
9.54
15.67
19.26
11.86
18.34
24.98
24.05
23.68
18.35
12.61
13.59
12.14
8.76
8.48
9.10
17.48
13.17
16.72
21.17
24.34
10.43
6.00
4.58

1ACL2522
1ACL2523
1ACL2524
1ACL2525
1ACL2526
1ACL2527
1ACL2528
1ACL2529
1ACL2530
1ACL2531
1ACL2532
1ACL2533
1ACL2534
1ACL2535
1ACL2536
1ACL2537
1ACL2538
1ACL2539
1ACL2540
1ACL2541
1ACL2542
1ACL2543
1ACL2544
1ACL2545
1ACL2546
1ACL2547
1ACL2548
1ACL2549
1ACL2550
1ACL2551
1ACL2552
1ACL2553
1ACL2554
1ACL2555
1ACL2556
1ACL2557
1ACL2558
1ACL2559
1ACL2560
1ACL2561
1ACL2562
1ACL2563
1ACL2564
1ACL2565
1ACL2566
1ACL2567
1ACL2568
1ACL2569
1ACL2570
1ACL2571
1ACL2572
1ACL2573
1ACL2574
1ACL2575
1ACL2576
1ACL2577
1ACL2578
1ACL2579
1ACL2580
1ACL2581

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
2451
2452
2453
2454
2455
2456
2457
2458
2459
2460
2461
2462
2463
2464
2465
2466
2467
2468
2469
2470
2471
2472
2473
2474
2475
2476
2477
2478
2479
2480
2481
2482
2483
2484
2485
2486
2487
2488
2489
2490
2491
2492
2493
2494
2495
2496
2497
2498
2499
2500

CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
N
CA
C

LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
SER
SER
SER

320
321
321
321
321
321
321
321
321
322
322
322
322
323
323
323
323
323
323
323
324
324
324
324
324
324
324
324
325
325
325
325
325
325
325
325
326
326
326
326
326
326
326
326
327
327
327
327
327
327
327
327
327
328
328
328
328
329
329
329

15.012
15.571
15.059
16.054
17.206
14.558
15.592
14.808
16.625
15.607
16.562
15.959
14.796
16.833
16.544
17.004
17.862
17.509
17.861
16.926
16.466
16.997
17.605
17.255
16.246
14.939
14.114
14.739
18.445
19.238
18.654
19.151
20.097
21.374
22.026
23.552
17.589
17.012
15.643
14.574
16.985
18.393
19.151
18.728
15.689
14.383
13.602
12.417
14.478
15.143
14.136
13.084
14.389
14.346
13.822
12.981
11.889
13.562
13.021
11.533

70.131
66.347
65.982
66.326
66.646
64.552
63.449
62.132
63.725
66.305
66.659
66.404
66.027
66.622
66.384
67.571
68.294
65.199
64.996
63.886
67.782
68.887
68.380
67.316
70.164
70.177
70.944
69.338
69.188
68.783
68.005
66.934
69.934
69.562
70.837
70.778
68.535
67.822
67.321
67.889
68.754
69.189
68.264
70.387
66.142
65.651
65.204
65.523
64.533
65.054
65.782
66.208
65.891
64.458
63.812
64.608
64.241
65.728
66.635
66.615

48.590
49.231
50.548
51.626
51.390
50.622
50.482
50.271
49.384
52.862
53.888
55.212
55.394
56.167
57.535
58.328
57.837
57.800
59.253
57.250
59.541
60.356
61.674
62.157
60.264
60.795
60.338
61.768
62.269
63.404
64.519
64.844
63.875
64.617
65.225
65.271
65.141
66.293
65.968
66.223
67.490
67.779
68.079
67.682
65.383
65.033
66.212
66.315
64.013
62.739
61.847
62.320
60.658
67.067
68.309
69.355
69.792
69.750
70.689
70.844

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

4.39
20.61
18.31
22.75
24.64
9.17
5.48
4.28
2.00
26.38
23.11
25.50
24.70
22.39
20.48
21.64
28.34
16.88
24.57
14.06
17.44
15.42
16.20
20.40
13.30
8.71
9.56
19.48
13.08
14.31
19.62
23.35
14.95
14.37
14.80
17.81
21.54
17.94
17.03
16.30
20.54
22.40
27.99
17.31
13.08
10.56
11.94
12.18
13.25
12.38
9.90
13.13
5.00
11.61
14.83
13.95
12.76
12.44
11.70
16.53

1ACL2582
1ACL2583
1ACL2584
1ACL2585
1ACL2586
1ACL2587
1ACL2588
1ACL2589
1ACL2590
1ACL2591
1ACL2592
1ACL2593
1ACL2594
1ACL2595
1ACL2596
1ACL2597
1ACL2598
1ACL2599
1ACL2600
1ACL2601
1ACL2602
1ACL2603
1ACL2604
1ACL2605
1ACL2606
1ACL2607
1ACL2608
1ACL2609
1ACL2610
1ACL2611
1ACL2612
1ACL2613
1ACL2614
1ACL2615
1ACL2616
1ACL2617
1ACL2618
1ACL2619
1ACL2620
1ACL2621
1ACL2622
1ACL2623
1ACL2624
1ACL2625
1ACL2626
1ACL2627
1ACL2628
1ACL2629
1ACL2630
1ACL2631
1ACL2632
1ACL2633
1ACL2634
1ACL2635
1ACL2636
1ACL2637
1ACL2638
1ACL2639
1ACL2640
1ACL2641

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2501
2502
2503
2504
2505
2506
2507
2508
2509
2510
2511
2512
2513
2514
2515
2516
2517
2518
2519
2520
2521
2522
2523
2524
2525
2526
2527
2528
2529
2530
2531
2532
2533
2534
2535
2536
2537
2538
2539
2540
2541
2542
2543
2544
2545
2546
2547
2548
2549
2550
2551
2552
2553
2554
2555
2556
2557
2558
2559
2560

O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
N
CA
C

SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
GLY
GLY
GLY
GLY
ALA
ALA
ALA

329
329
329
330
330
330
330
330
330
330
330
330
330
330
331
331
331
331
331
331
331
331
331
331
331
332
332
332
332
332
332
332
332
333
333
333
333
333
333
333
333
334
334
334
334
334
334
334
334
334
334
334
334
335
335
335
335
336
336
336

11.046
13.497
14.911
10.788
9.348
8.659
7.713
8.628
7.841
7.323
7.580
6.559
6.817
6.297
9.140
8.528
8.980
8.196
8.887
8.503
7.204
9.416
6.807
9.021
7.728
10.280
10.912
10.157
9.592
12.402
13.190
14.631
13.087
10.080
9.343
8.041
7.810
9.073
8.261
9.195
7.684
7.179
5.836
5.789
4.742
4.973
4.467
5.320
3.114
4.781
2.599
3.409
2.856
6.822
6.484
7.483
7.240
8.621
9.674
9.902

66.231
68.050
67.960
66.967
67.043
65.850
65.967
67.354
68.652
69.331
69.160
70.462
70.309
70.960
64.670
63.442
63.190
62.762
62.297
62.686
62.456
63.345
62.909
63.813
63.591
63.456
63.300
64.186
63.653
63.610
62.440
62.872
61.195
65.492
66.472
65.946
65.726
67.774
68.827
69.463
69.947
65.760
65.229
63.724
63.131
65.383
66.765
67.746
67.016
68.930
68.202
69.154
70.299
63.035
61.612
60.751
59.573
61.350
60.653
61.316

71.892
70.304
70.306
69.816
70.042
70.713
71.472
68.684
68.559
69.649
67.298
69.465
67.121
68.213
70.380
70.859
72.210
73.020
69.914
68.507
68.056
67.701
66.804
66.479
66.035
72.440
73.755
74.662
75.579
73.732
73.179
73.010
74.051
74.383
75.184
75.530
76.679
74.419
75.182
76.196
74.296
74.549
74.783
75.119
74.909
73.528
73.238
72.754
73.340
72.295
72.910
72.341
71.790
75.607
75.843
76.561
76.813
76.866
77.541
78.912

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

24.06
9.64
10.52
14.20
15.21
13.50
10.51
21.91
24.16
23.60
27.90
21.11
30.79
27.19
16.64
14.30
12.87
14.49
15.15
14.76
17.31
8.02
12.74
7.85
14.96
10.54
5.44
7.06
11.47
5.52
2.00
2.00
2.00
9.38
4.78
2.00
6.98
8.12
9.53
9.94
3.10
5.30
4.49
7.87
14.48
2.00
3.04
4.90
2.00
7.90
2.00
5.47
2.00
9.10
8.66
10.19
10.02
10.36
13.40
16.03

1ACL2642
1ACL2643
1ACL2644
1ACL2645
1ACL2646
1ACL2647
1ACL2648
1ACL2649
1ACL2650
1ACL2651
1ACL2652
1ACL2653
1ACL2654
1ACL2655
1ACL2656
1ACL2657
1ACL2658
1ACL2659
1ACL2660
1ACL2661
1ACL2662
1ACL2663
1ACL2664
1ACL2665
1ACL2666
1ACL2667
1ACL2668
1ACL2669
1ACL2670
1ACL2671
1ACL2672
1ACL2673
1ACL2674
1ACL2675
1ACL2676
1ACL2677
1ACL2678
1ACL2679
1ACL2680
1ACL2681
1ACL2682
1ACL2683
1ACL2684
1ACL2685
1ACL2686
1ACL2687
1ACL2688
1ACL2689
1ACL2690
1ACL2691
1ACL2692
1ACL2693
1ACL2694
1ACL2695
1ACL2696
1ACL2697
1ACL2698
1ACL2699
1ACL2700
1ACL2701

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2561
2562
2563
2564
2565
2566
2567
2568
2569
2570
2571
2572
2573
2574
2575
2576
2577
2578
2579
2580
2581
2582
2583
2584
2585
2586
2587
2588
2589
2590
2591
2592
2593
2594
2595
2596
2597
2598
2599
2600
2601
2602
2603
2604
2605
2606
2607
2608
2609
2610
2611
2612
2613
2614
2615
2616
2617
2618
2619
2620

O
CB
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
N

ALA
ALA
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
SER

336
336
337
337
337
337
337
337
337
338
338
338
338
339
339
339
339
339
339
339
339
339
339
339
340
340
340
340
340
340
341
341
341
341
341
341
341
341
341
342
342
342
342
342
342
342
342
343
343
343
343
343
343
344
344
344
344
344
344
345

9.894
10.969
10.089
10.046
11.316
12.378
10.095
10.766
10.488
11.191
12.343
12.398
12.951
11.731
11.738
10.624
9.485
11.527
12.708
13.806
12.690
14.838
13.756
14.808
10.928
9.859
10.275
11.416
9.528
10.586
9.304
9.481
9.763
9.186
8.063
8.056
7.867
6.400
6.088
10.576
10.707
11.832
12.369
9.429
8.429
8.861
7.232
12.194
13.350
14.384
14.081
13.209
12.850
15.631
16.668
16.985
18.101
17.855
19.167
15.893

62.535
60.665
60.432
60.856
61.631
61.147
59.547
58.538
59.045
62.790
63.602
64.933
65.950
64.915
66.090
67.014
66.600
65.613
64.842
65.532
63.470
64.846
62.791
63.475
68.294
69.213
70.497
70.890
69.424
69.004
71.156
72.462
73.220
72.809
72.810
73.928
75.291
75.502
76.826
74.251
74.837
74.230
74.888
75.041
75.969
76.784
75.910
72.963
72.415
72.445
72.755
70.907
70.606
72.122
72.054
70.599
70.131
73.122
73.008
69.882

79.102
76.730
79.893
81.269
81.569
81.197
82.007
81.067
79.687
82.253
82.605
81.880
82.332
80.714
79.852
80.101
80.263
78.414
77.911
77.434
77.908
76.828
77.355
76.770
80.069
80.310
79.746
79.826
81.802
82.630
79.132
78.575
79.852
80.843
78.061
77.036
77.681
78.076
77.724
79.928
81.277
82.117
83.007
82.118
81.432
80.615
81.739
81.896
82.627
81.559
80.419
82.868
84.196
81.923
80.882
80.861
80.856
80.885
81.671
80.948

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

13.46
13.70
15.81
14.87
17.81
20.80
13.18
19.21
17.11
12.92
14.06
20.44
23.27
18.54
12.57
11.47
16.74
12.86
4.39
2.74
2.14
4.11
8.52
2.00
7.81
6.90
5.68
7.42
5.51
15.97
8.35
9.43
13.83
21.77
10.69
21.21
17.29
11.05
20.78
13.94
13.91
17.30
17.86
16.49
21.70
25.60
22.19
17.90
18.49
18.87
20.88
20.87
31.10
18.66
16.39
17.75
23.93
20.05
9.80
19.19

1ACL2702
1ACL2703
1ACL2704
1ACL2705
1ACL2706
1ACL2707
1ACL2708
1ACL2709
1ACL2710
1ACL2711
1ACL2712
1ACL2713
1ACL2714
1ACL2715
1ACL2716
1ACL2717
1ACL2718
1ACL2719
1ACL2720
1ACL2721
1ACL2722
1ACL2723
1ACL2724
1ACL2725
1ACL2726
1ACL2727
1ACL2728
1ACL2729
1ACL2730
1ACL2731
1ACL2732
1ACL2733
1ACL2734
1ACL2735
1ACL2736
1ACL2737
1ACL2738
1ACL2739
1ACL2740
1ACL2741
1ACL2742
1ACL2743
1ACL2744
1ACL2745
1ACL2746
1ACL2747
1ACL2748
1ACL2749
1ACL2750
1ACL2751
1ACL2752
1ACL2753
1ACL2754
1ACL2755
1ACL2756
1ACL2757
1ACL2758
1ACL2759
1ACL2760
1ACL2761

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2621
2622
2623
2624
2625
2626
2627
2628
2629
2630
2631
2632
2633
2634
2635
2636
2637
2638
2639
2640
2641
2642
2643
2644
2645
2646
2647
2648
2649
2650
2651
2652
2653
2654
2655
2656
2657
2658
2659
2660
2661
2662
2663
2664
2665
2666
2667
2668
2669
2670
2671
2672
2673
2674
2675
2676
2677
2678
2679
2680

CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD1

SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PHE
PHE
PHE
PHE
PHE
PHE
PHE

345
345
345
345
345
346
346
346
346
346
346
346
346
346
347
347
347
347
347
347
347
347
348
348
348
348
348
348
349
349
349
349
349
349
349
349
349
349
349
350
350
350
350
350
350
351
351
351
351
351
351
351
351
352
352
352
352
352
352
352

15.801
17.079
17.428
14.914
13.742
17.777
18.972
18.394
17.597
19.924
20.277
21.603
21.773
22.082
18.753
18.142
19.076
20.286
17.720
16.250
17.936
15.968
18.433
19.215
19.514
18.873
18.292
17.063
20.419
20.546
19.286
19.024
21.829
23.098
23.081
22.618
23.376
24.658
22.829
18.480
17.281
16.268
15.750
16.585
15.630
16.005
15.065
15.636
14.911
14.791
14.048
13.207
14.320
16.972
17.584
17.199
16.690
19.108
19.861
20.126

68.449
67.634
67.068
68.121
68.956
67.599
66.782
65.434
65.319
67.305
68.757
69.173
70.706
71.084
64.404
63.120
62.319
62.444
62.466
62.783
60.977
64.283
61.425
60.587
59.300
58.999
60.250
59.686
58.482
57.222
56.385
55.456
56.408
56.959
57.001
55.777
54.689
54.634
53.613
56.755
55.943
56.139
55.207
56.285
55.176
57.428
57.914
57.745
57.820
59.409
59.808
59.030
60.919
57.572
57.354
55.943
55.687
57.507
57.137
55.810

80.964
80.933
79.909
79.773
79.892
82.080
82.143
82.508
83.428
83.201
82.922
83.565
83.621
84.988
81.793
82.092
82.988
83.037
80.751
80.422
80.646
80.234
83.706
84.598
83.896
82.898
85.762
85.303
84.427
83.694
83.892
83.155
83.986
83.278
81.713
81.069
80.892
81.248
80.343
84.865
85.065
83.974
83.386
86.399
86.834
83.764
82.767
81.361
80.363
82.918
84.187
84.669
84.670
81.287
79.985
79.535
78.462
80.104
78.847
78.580

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

20.55
21.86
25.27
22.39
17.28
22.03
23.88
27.63
35.43
23.21
26.99
35.94
41.45
49.15
29.01
29.29
31.23
31.97
23.70
28.80
23.00
22.38
30.25
29.71
31.95
39.15
26.41
24.69
31.14
33.27
27.74
26.60
39.78
46.05
52.26
54.54
57.23
61.61
63.01
25.57
32.29
32.07
28.70
36.74
38.21
33.85
36.55
38.40
44.89
38.87
41.59
40.69
40.17
30.38
24.52
21.28
23.82
22.30
22.61
19.24

1ACL2762
1ACL2763
1ACL2764
1ACL2765
1ACL2766
1ACL2767
1ACL2768
1ACL2769
1ACL2770
1ACL2771
1ACL2772
1ACL2773
1ACL2774
1ACL2775
1ACL2776
1ACL2777
1ACL2778
1ACL2779
1ACL2780
1ACL2781
1ACL2782
1ACL2783
1ACL2784
1ACL2785
1ACL2786
1ACL2787
1ACL2788
1ACL2789
1ACL2790
1ACL2791
1ACL2792
1ACL2793
1ACL2794
1ACL2795
1ACL2796
1ACL2797
1ACL2798
1ACL2799
1ACL2800
1ACL2801
1ACL2802
1ACL2803
1ACL2804
1ACL2805
1ACL2806
1ACL2807
1ACL2808
1ACL2809
1ACL2810
1ACL2811
1ACL2812
1ACL2813
1ACL2814
1ACL2815
1ACL2816
1ACL2817
1ACL2818
1ACL2819
1ACL2820
1ACL2821

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2681
2682
2683
2684
2685
2686
2687
2688
2689
2690
2691
2692
2693
2694
2695
2696
2697
2698
2699
2700
2701
2702
2703
2704
2705
2706
2707
2708
2709
2710
2711
2712
2713
2714
2715
2716
2717
2718
2719
2720
2721
2722
2723
2724
2725
2726
2727
2728
2729
2730
2731
2732
2733
2734
2735
2736
2737
2738
2739
2740

CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
N
CA
C

PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO

352
352
352
352
353
353
353
353
353
353
354
354
354
354
354
354
355
355
355
355
356
356
356
356
356
356
356
357
357
357
357
357
357
357
357
357
358
358
358
358
358
358
358
358
359
359
359
359
359
359
360
360
360
360
360
360
360
361
361
361

20.333
20.873
21.099
21.374
17.436
17.103
15.593
15.147
17.818
19.335
14.809
13.349
13.037
12.171
12.556
12.948
13.791
13.772
14.053
13.181
15.246
15.494
14.442
14.266
16.883
17.920
17.006
13.769
12.777
11.628
11.075
12.151
13.209
12.565
13.248
12.900
11.232
10.135
10.453
9.545
9.907
9.253
9.119
7.878
11.741
12.265
12.413
12.173
13.643
13.530
12.810
12.994
12.095
12.546
14.462
14.838
15.414
10.788
9.830
9.813

58.105
55.445
57.742
56.405
54.997
53.650
53.482
52.560
52.611
52.476
54.398
54.324
54.852
54.376
55.231
55.151
55.929
56.665
55.730
55.507
55.130
54.246
53.159
52.674
53.632
54.729
52.580
52.715
51.690
52.281
51.680
51.044
50.299
49.308
49.287
50.503
53.481
54.060
54.310
54.330
55.459
55.459
56.906
54.762
54.574
54.896
53.740
53.904
55.579
56.603
52.591
51.480
50.384
49.337
51.032
50.097
52.238
50.622
49.771
48.371

77.969
77.470
76.868
76.624
80.410
80.022
79.805
79.119
80.933
80.617
80.402
80.205
78.808
78.088
81.178
82.548
78.511
77.274
76.119
75.291
76.078
74.986
74.803
73.698
75.098
75.373
76.183
75.856
75.543
74.779
73.881
76.772
77.577
78.558
79.931
80.660
75.152
74.418
72.957
72.128
74.986
76.341
76.781
76.261
72.703
71.383
70.436
69.250
71.483
72.471
70.925
70.027
70.492
70.958
70.144
68.999
70.238
70.393
71.087
70.695

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

25.47
19.49
26.95
20.16
17.83
15.33
12.41
3.18
21.55
19.24
14.28
18.36
19.65
22.27
21.82
32.69
18.87
14.44
16.66
20.29
8.73
9.76
10.73
14.27
14.15
24.51
15.79
10.14
18.53
20.29
27.06
24.76
38.34
49.34
55.40
57.78
18.78
15.55
17.12
21.01
10.52
4.87
2.00
2.73
14.45
14.35
14.75
23.09
12.31
16.27
9.10
8.45
12.81
17.60
10.44
9.07
13.43
13.15
17.21
21.59

1ACL2822
1ACL2823
1ACL2824
1ACL2825
1ACL2826
1ACL2827
1ACL2828
1ACL2829
1ACL2830
1ACL2831
1ACL2832
1ACL2833
1ACL2834
1ACL2835
1ACL2836
1ACL2837
1ACL2838
1ACL2839
1ACL2840
1ACL2841
1ACL2842
1ACL2843
1ACL2844
1ACL2845
1ACL2846
1ACL2847
1ACL2848
1ACL2849
1ACL2850
1ACL2851
1ACL2852
1ACL2853
1ACL2854
1ACL2855
1ACL2856
1ACL2857
1ACL2858
1ACL2859
1ACL2860
1ACL2861
1ACL2862
1ACL2863
1ACL2864
1ACL2865
1ACL2866
1ACL2867
1ACL2868
1ACL2869
1ACL2870
1ACL2871
1ACL2872
1ACL2873
1ACL2874
1ACL2875
1ACL2876
1ACL2877
1ACL2878
1ACL2879
1ACL2880
1ACL2881

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2741
2742
2743
2744
2745
2746
2747
2748
2749
2750
2751
2752
2753
2754
2755
2756
2757
2758
2759
2760
2761
2762
2763
2764
2765
2766
2767
2768
2769
2770
2771
2772
2773
2774
2775
2776
2777
2778
2779
2780
2781
2782
2783
2784
2785
2786
2787
2788
2789
2790
2791
2792
2793
2794
2795
2796
2797
2798
2799
2800

O
CB
CG
CD
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
OD2

PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASP
ASP
ASP
ASP
ASP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP

361
361
361
361
362
362
362
362
362
362
362
362
362
362
363
363
363
363
363
364
364
364
364
364
364
364
364
365
365
365
365
365
366
366
366
366
366
366
366
366
367
367
367
367
368
368
368
368
368
368
368
368
369
369
369
369
369
369
369
369

9.186
8.444
8.691
10.171
10.443
10.414
11.643
11.725
10.238
11.058
12.276
10.701
12.668
11.735
12.640
13.842
13.713
12.922
14.855
14.576
14.604
15.677
16.349
14.865
16.229
17.110
16.422
15.868
16.858
18.262
19.010
16.954
18.650
19.985
20.119
21.094
20.243
21.702
22.680
21.929
19.028
18.907
19.001
19.687
18.320
18.443
19.878
20.402
17.545
16.011
15.216
15.497
20.531
21.946
22.774
23.664
22.586
22.204
21.361
22.782

47.562
50.270
51.296
51.697
48.085
46.701
45.907
44.693
46.720
47.833
47.651
49.195
48.845
49.784
46.646
45.967
44.964
45.059
47.039
43.954
43.031
43.676
44.644
41.583
41.345
42.139
40.236
43.057
43.535
43.642
44.586
42.594
42.609
42.650
43.843
44.583
41.398
40.978
42.156
39.982
44.033
45.166
46.466
47.384
46.559
47.814
47.992
49.093
47.862
47.825
47.473
49.168
46.845
46.911
47.478
48.274
45.564
45.113
45.764
44.122

71.342
70.700
69.603
69.654
69.580
69.109
69.473
69.302
67.586
66.942
66.401
66.782
65.926
66.152
69.937
70.259
71.409
72.336
70.699
71.324
72.431
73.298
72.925
72.028
71.493
71.751
70.760
74.471
75.454
74.887
75.102
76.678
74.125
73.601
72.736
72.707
72.795
72.767
72.843
73.888
72.026
71.144
71.901
71.501
73.030
73.774
74.184
74.210
75.036
74.772
76.037
74.237
74.460
74.880
73.815
74.087
75.292
76.710
77.338
77.180

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

27.35
13.20
17.50
13.22
26.07
28.81
26.83
25.62
35.56
37.98
42.01
36.89
41.15
38.74
21.96
22.11
22.44
21.64
23.51
21.00
17.78
20.00
16.71
18.65
20.81
26.55
22.59
21.95
19.71
18.62
15.28
18.33
16.54
15.75
17.71
20.69
17.36
15.98
10.98
20.15
18.46
24.08
21.30
21.65
23.27
25.69
26.15
26.04
29.04
30.51
33.19
34.56
27.66
26.85
24.49
25.13
24.07
22.56
20.51
21.17

1ACL2882
1ACL2883
1ACL2884
1ACL2885
1ACL2886
1ACL2887
1ACL2888
1ACL2889
1ACL2890
1ACL2891
1ACL2892
1ACL2893
1ACL2894
1ACL2895
1ACL2896
1ACL2897
1ACL2898
1ACL2899
1ACL2900
1ACL2901
1ACL2902
1ACL2903
1ACL2904
1ACL2905
1ACL2906
1ACL2907
1ACL2908
1ACL2909
1ACL2910
1ACL2911
1ACL2912
1ACL2913
1ACL2914
1ACL2915
1ACL2916
1ACL2917
1ACL2918
1ACL2919
1ACL2920
1ACL2921
1ACL2922
1ACL2923
1ACL2924
1ACL2925
1ACL2926
1ACL2927
1ACL2928
1ACL2929
1ACL2930
1ACL2931
1ACL2932
1ACL2933
1ACL2934
1ACL2935
1ACL2936
1ACL2937
1ACL2938
1ACL2939
1ACL2940
1ACL2941

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2801
2802
2803
2804
2805
2806
2807
2808
2809
2810
2811
2812
2813
2814
2815
2816
2817
2818
2819
2820
2821
2822
2823
2824
2825
2826
2827
2828
2829
2830
2831
2832
2833
2834
2835
2836
2837
2838
2839
2840
2841
2842
2843
2844
2845
2846
2847
2848
2849
2850
2851
2852
2853
2854
2855
2856
2857
2858
2859
2860

N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB

ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP

370
370
370
370
370
371
371
371
371
371
371
371
372
372
372
372
372
372
372
373
373
373
373
373
373
373
373
374
374
374
374
374
374
374
374
374
375
375
375
375
375
375
375
375
375
375
375
375
376
376
376
376
376
376
376
377
377
377
377
377

22.452
23.235
23.019
23.931
22.950
21.794
21.546
22.295
22.837
20.035
19.828
19.260
22.245
22.899
24.378
24.962
22.634
21.236
23.075
24.971
26.372
26.757
27.834
26.710
28.172
29.085
28.399
25.816
26.142
25.921
26.632
25.358
25.786
27.173
27.845
27.613
24.929
24.661
25.193
25.069
23.157
22.858
22.882
22.585
22.627
22.309
22.315
21.944
25.782
26.300
27.779
28.569
26.126
24.788
26.342
28.164
29.576
30.085
29.975
29.684

47.045
47.574
49.069
49.833
46.825
49.483
50.905
51.788
52.841
51.201
52.713
50.338
51.328
52.048
52.161
53.228
51.326
51.068
52.137
51.007
50.976
51.997
52.587
49.562
49.286
49.766
47.794
52.204
53.147
54.558
55.427
52.907
51.663
51.732
50.730
52.960
54.789
56.191
56.750
57.945
56.360
56.458
57.705
55.335
57.855
55.476
56.751
56.951
55.917
56.397
56.735
56.137
55.255
54.795
55.599
57.736
58.149
57.428
57.910
59.678

72.593
71.476
71.309
71.035
70.167
71.516
71.320
72.296
71.946
71.334
71.129
70.311
73.554
74.642
74.373
74.334
75.982
76.139
77.201
74.138
73.888
72.847
72.905
73.408
73.116
74.229
72.978
71.894
70.813
71.182
70.701
69.493
68.710
68.035
67.815
67.725
72.017
72.326
73.642
73.883
72.085
70.590
69.992
69.816
68.657
68.471
67.917
66.618
74.501
75.785
75.697
74.984
76.822
76.792
78.295
76.492
76.601
77.864
78.976
76.747

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

22.62
19.32
12.69
15.64
13.66
8.89
12.46
13.82
11.85
6.91
4.18
2.00
16.65
16.27
13.45
14.85
16.00
20.70
15.99
8.94
8.45
13.07
15.05
4.52
2.00
7.24
2.73
16.42
19.06
18.67
19.38
17.39
26.64
37.41
36.44
39.35
20.29
22.17
24.56
22.37
21.77
17.07
11.82
10.83
8.23
9.07
15.99
21.39
28.94
30.31
31.30
33.15
28.24
35.03
26.03
36.72
38.95
39.72
38.19
41.24

1ACL2942
1ACL2943
1ACL2944
1ACL2945
1ACL2946
1ACL2947
1ACL2948
1ACL2949
1ACL2950
1ACL2951
1ACL2952
1ACL2953
1ACL2954
1ACL2955
1ACL2956
1ACL2957
1ACL2958
1ACL2959
1ACL2960
1ACL2961
1ACL2962
1ACL2963
1ACL2964
1ACL2965
1ACL2966
1ACL2967
1ACL2968
1ACL2969
1ACL2970
1ACL2971
1ACL2972
1ACL2973
1ACL2974
1ACL2975
1ACL2976
1ACL2977
1ACL2978
1ACL2979
1ACL2980
1ACL2981
1ACL2982
1ACL2983
1ACL2984
1ACL2985
1ACL2986
1ACL2987
1ACL2988
1ACL2989
1ACL2990
1ACL2991
1ACL2992
1ACL2993
1ACL2994
1ACL2995
1ACL2996
1ACL2997
1ACL2998
1ACL2999
1ACL3000
1ACL3001

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2861
2862
2863
2864
2865
2866
2867
2868
2869
2870
2871
2872
2873
2874
2875
2876
2877
2878
2879
2880
2881
2882
2883
2884
2885
2886
2887
2888
2889
2890
2891
2892
2893
2894
2895
2896
2897
2898
2899
2900
2901
2902
2903
2904
2905
2906
2907
2908
2909
2910
2911
2912
2913
2914
2915
2916
2917
2918
2919
2920

CG
OD1
OD2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA

ASP
ASP
ASP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
MET
MET
MET
MET
MET
MET
MET
MET
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
ILE
ILE

377
377
377
378
378
378
378
378
378
378
378
378
378
378
378
378
378
379
379
379
379
379
379
379
379
380
380
380
380
380
380
380
380
381
381
381
381
381
381
381
381
382
382
382
382
382
383
383
383
383
383
383
383
383
384
384
384
384
385
385

31.114
32.044
31.287
30.641
31.101
32.083
32.195
31.585
30.395
30.073
29.347
28.884
28.388
29.078
27.223
27.895
26.984
32.761
33.743
33.129
33.803
34.581
35.909
36.816
38.371
31.801
31.038
29.584
28.712
31.251
30.566
29.814
30.799
29.388
28.134
26.933
25.947
28.255
28.545
29.688
27.626
26.983
25.715
25.590
24.768
25.421
26.409
26.257
24.830
24.478
27.236
27.094
25.997
28.268
24.020
22.632
22.321
21.422
23.075
22.842

60.166
59.362
61.352
56.239
55.464
56.172
55.876
54.096
53.456
53.493
52.806
52.895
52.441
52.508
51.769
51.844
51.469
57.144
57.940
58.963
59.754
58.714
58.027
58.058
57.306
58.961
59.900
59.514
60.301
61.307
62.394
62.080
63.553
58.224
57.528
58.027
57.316
55.995
55.487
55.627
54.917
59.167
59.623
61.104
61.694
59.232
61.727
63.184
63.495
63.364
63.695
65.185
65.743
65.833
63.964
64.259
64.906
64.487
65.925
66.555

76.966
76.863
77.263
77.708
78.839
79.686
80.868
78.409
77.775
76.407
78.425
76.191
77.388
79.740
77.728
80.038
79.049
79.089
79.828
80.797
81.450
78.789
78.534
80.120
79.499
80.844
81.658
81.479
81.100
81.057
81.819
82.741
81.487
81.797
81.627
82.349
82.298
81.757
83.164
83.626
83.767
83.064
83.698
83.590
84.283
85.160
82.714
82.548
82.088
80.933
81.480
81.273
81.158
81.257
83.009
82.700
81.368
80.672
81.000
79.731

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

43.42
43.27
44.67
43.20
43.15
47.28
51.93
42.24
43.49
48.24
43.40
48.75
46.45
45.38
48.53
48.59
46.71
49.19
53.98
52.48
48.40
62.71
74.86
83.44
82.61
51.90
52.45
52.28
45.05
54.19
53.38
57.55
54.23
54.80
54.65
53.54
52.57
59.56
66.41
67.08
68.82
53.36
51.56
49.35
53.08
52.85
43.60
34.97
26.82
25.39
32.57
36.73
33.43
36.10
21.99
21.33
16.91
15.95
15.44
14.30

1ACL3002
1ACL3003
1ACL3004
1ACL3005
1ACL3006
1ACL3007
1ACL3008
1ACL3009
1ACL3010
1ACL3011
1ACL3012
1ACL3013
1ACL3014
1ACL3015
1ACL3016
1ACL3017
1ACL3018
1ACL3019
1ACL3020
1ACL3021
1ACL3022
1ACL3023
1ACL3024
1ACL3025
1ACL3026
1ACL3027
1ACL3028
1ACL3029
1ACL3030
1ACL3031
1ACL3032
1ACL3033
1ACL3034
1ACL3035
1ACL3036
1ACL3037
1ACL3038
1ACL3039
1ACL3040
1ACL3041
1ACL3042
1ACL3043
1ACL3044
1ACL3045
1ACL3046
1ACL3047
1ACL3048
1ACL3049
1ACL3050
1ACL3051
1ACL3052
1ACL3053
1ACL3054
1ACL3055
1ACL3056
1ACL3057
1ACL3058
1ACL3059
1ACL3060
1ACL3061

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2921
2922
2923
2924
2925
2926
2927
2928
2929
2930
2931
2932
2933
2934
2935
2936
2937
2938
2939
2940
2941
2942
2943
2944
2945
2946
2947
2948
2949
2950
2951
2952
2953
2954
2955
2956
2957
2958
2959
2960
2961
2962
2963
2964
2965
2966
2967
2968
2969
2970
2971
2972
2973
2974
2975
2976
2977
2978
2979
2980

C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG

ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP

385
385
385
385
385
385
386
386
386
386
386
386
386
386
386
387
387
387
387
387
387
387
387
388
388
388
388
388
388
388
388
388
388
388
389
389
389
389
389
389
389
389
390
390
390
390
391
391
391
391
391
391
391
391
392
392
392
392
392
392

23.229
22.545
23.655
22.681
24.773
23.391
24.368
24.727
23.640
23.326
26.084
27.263
28.614
29.786
31.048
23.032
21.983
20.826
20.113
21.423
22.431
23.405
22.170
20.635
19.488
19.713
18.993
19.202
18.181
18.802
18.924
19.925
20.821
20.085
20.754
21.055
21.243
20.934
22.357
22.328
21.238
23.400
21.741
21.875
20.529
20.374
19.492
18.183
17.664
17.002
17.136
17.230
16.314
16.758
17.960
17.562
18.092
17.475
18.185
17.379

65.611
65.469
67.840
68.959
67.981
70.284
64.940
64.020
62.954
62.484
63.317
64.291
63.579
64.573
63.914
62.581
61.578
62.178
61.505
61.107
60.398
59.783
60.524
63.477
64.127
64.120
63.485
65.523
66.414
67.719
68.834
69.751
69.555
70.878
64.828
64.859
63.493
63.299
65.556
66.985
67.502
67.578
62.520
61.232
60.676
60.076
60.865
60.336
61.148
60.690
60.513
59.484
59.927
58.132
62.424
63.265
62.719
62.854
64.631
65.721

78.562
77.550
79.749
79.685
78.717
79.818
78.688
77.601
77.466
76.388
77.836
77.776
77.932
77.915
78.234
78.575
78.463
77.755
77.031
79.813
80.681
80.235
81.987
77.964
77.320
75.844
75.086
77.919
77.193
76.680
77.638
77.406
76.440
78.123
75.423
73.990
73.372
72.215
73.724
74.215
74.445
74.365
74.094
73.441
73.069
72.025
73.887
73.459
72.283
71.357
74.545
75.628
76.769
75.122
72.353
71.246
69.909
68.860
71.455
70.856

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

22.66
25.93
7.79
8.74
2.00
2.00
26.33
28.69
28.74
33.37
28.91
30.27
36.34
38.43
41.47
27.67
23.25
21.23
26.44
25.36
28.74
28.60
27.06
15.56
13.40
12.77
14.34
6.07
14.90
17.20
12.66
17.09
11.82
16.56
12.62
11.15
12.24
18.77
16.90
22.96
30.24
27.67
6.81
5.98
11.46
18.78
15.92
17.35
19.54
20.83
15.21
13.37
24.29
19.04
15.42
20.46
23.37
31.68
28.20
33.05

1ACL3062
1ACL3063
1ACL3064
1ACL3065
1ACL3066
1ACL3067
1ACL3068
1ACL3069
1ACL3070
1ACL3071
1ACL3072
1ACL3073
1ACL3074
1ACL3075
1ACL3076
1ACL3077
1ACL3078
1ACL3079
1ACL3080
1ACL3081
1ACL3082
1ACL3083
1ACL3084
1ACL3085
1ACL3086
1ACL3087
1ACL3088
1ACL3089
1ACL3090
1ACL3091
1ACL3092
1ACL3093
1ACL3094
1ACL3095
1ACL3096
1ACL3097
1ACL3098
1ACL3099
1ACL3100
1ACL3101
1ACL3102
1ACL3103
1ACL3104
1ACL3105
1ACL3106
1ACL3107
1ACL3108
1ACL3109
1ACL3110
1ACL3111
1ACL3112
1ACL3113
1ACL3114
1ACL3115
1ACL3116
1ACL3117
1ACL3118
1ACL3119
1ACL3120
1ACL3121

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2981
2982
2983
2984
2985
2986
2987
2988
2989
2990
2991
2992
2993
2994
2995
2996
2997
2998
2999
3000
3001
3002
3003
3004
3005
3006
3007
3008
3009
3010
3011
3012
3013
3014
3015
3016
3017
3018
3019
3020
3021
3022
3023
3024
3025
3026
3027
3028
3029
3030
3031
3032
3033
3034
3035
3036
3037
3038
3039
3040

OD1
OD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB

ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL

392
392
393
393
393
393
393
393
393
393
394
394
394
394
394
394
394
394
395
395
395
395
395
395
395
396
396
396
396
397
397
397
397
397
397
397
397
398
398
398
398
398
398
398
398
398
398
399
399
399
399
399
399
399
399
400
400
400
400
400

16.889
17.239
19.268
19.759
19.189
19.046
21.248
22.084
21.585
23.255
18.896
18.346
16.974
16.619
18.247
19.627
17.444
19.554
16.176
14.884
15.074
14.610
13.974
12.574
13.942
15.768
15.967
16.476
15.845
17.649
18.267
17.366
17.142
19.521
20.596
20.310
21.719
16.846
16.031
14.767
14.254
15.685
14.607
14.807
13.241
13.606
12.636
14.255
12.936
12.933
11.917
12.002
11.504
10.720
11.958
13.982
13.896
15.192
15.214
13.242

65.528
66.763
62.086
61.531
60.164
59.714
61.284
62.510
63.623
62.323
59.438
58.082
58.164
57.389
57.268
56.933
55.978
56.001
59.126
59.182
59.674
59.050
60.068
60.119
59.548
60.805
61.369
60.353
60.077
59.789
58.818
57.656
57.321
58.224
59.287
60.423
58.990
57.024
55.889
56.236
55.398
55.232
54.173
52.976
54.284
52.384
53.146
57.432
57.707
58.570
58.599
58.337
57.312
56.453
57.405
59.344
60.107
60.087
59.787
61.504

69.755
71.499
69.932
68.676
68.433
67.312
68.708
68.890
68.645
69.272
69.496
69.268
68.605
67.753
70.587
71.173
70.386
72.395
69.018
68.399
66.997
66.067
69.255
68.661
70.697
66.855
65.523
64.490
63.482
64.740
63.856
63.500
62.356
64.551
64.678
64.340
65.109
64.508
64.275
63.582
62.872
65.656
65.539
64.979
65.859
64.938
65.460
63.755
63.174
61.959
61.272
64.248
65.276
64.924
66.538
61.684
60.443
59.691
58.518
60.541

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

39.53
42.21
20.00
12.58
10.81
13.39
10.72
16.70
12.69
23.22
15.67
13.55
10.91
4.56
8.47
7.87
12.92
2.00
16.54
15.60
18.30
20.25
12.53
12.48
11.11
20.85
16.82
19.44
25.36
13.97
8.30
8.80
11.21
5.06
9.57
4.38
10.67
8.26
6.03
6.96
16.24
8.08
3.80
2.00
8.80
7.42
5.75
6.37
5.68
8.34
12.64
15.89
22.48
24.83
22.79
7.35
6.81
6.02
10.63
2.00

1ACL3122
1ACL3123
1ACL3124
1ACL3125
1ACL3126
1ACL3127
1ACL3128
1ACL3129
1ACL3130
1ACL3131
1ACL3132
1ACL3133
1ACL3134
1ACL3135
1ACL3136
1ACL3137
1ACL3138
1ACL3139
1ACL3140
1ACL3141
1ACL3142
1ACL3143
1ACL3144
1ACL3145
1ACL3146
1ACL3147
1ACL3148
1ACL3149
1ACL3150
1ACL3151
1ACL3152
1ACL3153
1ACL3154
1ACL3155
1ACL3156
1ACL3157
1ACL3158
1ACL3159
1ACL3160
1ACL3161
1ACL3162
1ACL3163
1ACL3164
1ACL3165
1ACL3166
1ACL3167
1ACL3168
1ACL3169
1ACL3170
1ACL3171
1ACL3172
1ACL3173
1ACL3174
1ACL3175
1ACL3176
1ACL3177
1ACL3178
1ACL3179
1ACL3180
1ACL3181

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3041
3042
3043
3044
3045
3046
3047
3048
3049
3050
3051
3052
3053
3054
3055
3056
3057
3058
3059
3060
3061
3062
3063
3064
3065
3066
3067
3068
3069
3070
3071
3072
3073
3074
3075
3076
3077
3078
3079
3080
3081
3082
3083
3084
3085
3086
3087
3088
3089
3090
3091
3092
3093
3094
3095
3096
3097
3098
3099
3100

CG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ

VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

400
400
401
401
401
401
401
401
401
401
402
402
402
402
402
402
403
403
403
403
403
403
403
404
404
404
404
404
404
404
404
405
405
405
405
405
405
405
405
406
406
406
406
406
406
406
406
406
406
407
407
407
407
407
407
407
407
407
407
407

12.375
14.237
16.302
17.547
17.944
18.193
18.653
18.055
19.690
19.095
17.984
18.346
17.355
17.822
18.836
20.164
16.048
15.239
15.360
15.276
13.829
13.927
15.316
15.598
15.744
17.039
17.045
15.568
15.632
14.836
17.050
18.174
19.366
19.240
19.980
20.591
20.869
20.687
22.386
18.350
18.188
17.550
18.072
17.233
17.152
18.198
15.987
17.701
16.367
16.399
15.667
16.535
16.452
14.458
13.651
12.743
13.708
11.821
12.779
11.827

61.657
62.630
60.337
60.411
59.122
59.000
61.055
62.213
61.605
63.053
58.108
56.892
56.374
55.968
55.828
56.457
56.310
55.769
56.588
56.020
55.468
55.837
56.472
57.909
58.785
58.457
58.126
60.277
61.306
62.599
61.733
58.519
58.104
56.742
56.464
57.977
59.257
60.516
60.407
55.874
54.592
54.853
54.512
53.688
52.332
51.498
51.667
50.349
50.432
55.522
55.856
56.665
56.445
56.672
57.198
56.374
58.550
56.921
59.088
58.274

61.764
60.612
60.358
59.573
59.011
57.830
60.316
61.110
59.378
61.830
59.825
59.155
58.130
57.079
60.092
61.066
58.340
57.262
55.965
54.884
57.831
59.297
59.547
56.096
54.925
54.255
53.080
55.276
54.118
54.406
53.782
54.963
54.237
53.547
52.607
55.149
55.856
54.600
53.985
54.030
53.344
51.966
50.912
54.115
53.462
53.337
53.028
52.864
52.678
52.021
50.816
49.888
48.688
51.182
50.032
49.405
49.714
48.528
48.840
48.263

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

2.72
2.00
4.56
2.00
6.56
12.70
2.00
6.79
2.00
15.06
8.10
11.85
9.68
16.47
13.79
18.61
6.84
11.53
10.57
16.78
6.18
2.40
8.37
10.35
5.27
8.01
8.87
2.00
2.00
9.15
4.48
6.69
7.34
5.50
5.91
7.47
7.71
17.61
5.59
5.19
10.82
13.72
15.12
10.14
10.28
3.06
10.17
9.89
7.49
12.80
13.24
16.36
19.32
9.23
7.37
9.81
9.30
11.55
9.49
4.44

1ACL3182
1ACL3183
1ACL3184
1ACL3185
1ACL3186
1ACL3187
1ACL3188
1ACL3189
1ACL3190
1ACL3191
1ACL3192
1ACL3193
1ACL3194
1ACL3195
1ACL3196
1ACL3197
1ACL3198
1ACL3199
1ACL3200
1ACL3201
1ACL3202
1ACL3203
1ACL3204
1ACL3205
1ACL3206
1ACL3207
1ACL3208
1ACL3209
1ACL3210
1ACL3211
1ACL3212
1ACL3213
1ACL3214
1ACL3215
1ACL3216
1ACL3217
1ACL3218
1ACL3219
1ACL3220
1ACL3221
1ACL3222
1ACL3223
1ACL3224
1ACL3225
1ACL3226
1ACL3227
1ACL3228
1ACL3229
1ACL3230
1ACL3231
1ACL3232
1ACL3233
1ACL3234
1ACL3235
1ACL3236
1ACL3237
1ACL3238
1ACL3239
1ACL3240
1ACL3241

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3101
3102
3103
3104
3105
3106
3107
3108
3109
3110
3111
3112
3113
3114
3115
3116
3117
3118
3119
3120
3121
3122
3123
3124
3125
3126
3127
3128
3129
3130
3131
3132
3133
3134
3135
3136
3137
3138
3139
3140
3141
3142
3143
3144
3145
3146
3147
3148
3149
3150
3151
3152
3153
3154
3155
3156
3157
3158
3159
3160

N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2

VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

408
408
408
408
408
408
408
409
409
409
409
409
409
409
409
410
410
410
410
410
410
410
410
410
411
411
411
411
411
411
411
411
411
411
411
411
412
412
412
412
412
412
412
413
413
413
413
413
413
413
413
413
414
414
414
414
414
414
414
414

17.349
18.210
19.089
19.126
19.035
20.452
18.274
19.755
20.725
20.196
20.874
21.586
22.738
23.785
22.554
18.987
18.413
17.914
18.135
17.231
17.568
17.683
19.076
19.150
17.214
16.673
17.760
17.509
15.671
14.863
15.334
13.643
14.605
12.919
13.410
12.705
18.966
19.874
20.440
21.120
20.748
22.103
20.218
20.178
20.678
19.731
20.022
20.778
21.800
21.227
20.953
22.046
18.596
17.728
17.012
16.181
16.571
16.902
17.338
16.676

57.608
58.336
57.364
57.293
59.442
59.732
60.769
56.554
55.637
54.650
54.314
55.007
55.949
55.845
56.895
54.159
53.197
53.903
53.512
52.451
51.620
50.100
49.770
48.437
54.987
55.701
56.380
56.613
56.765
57.557
58.760
57.052
59.414
57.691
58.846
59.430
56.701
57.428
56.501
56.931
58.634
58.395
59.274
55.197
54.274
54.215
53.555
52.848
52.713
51.918
50.446
49.624
54.858
54.735
56.020
56.061
53.795
52.347
51.899
51.429

50.427
49.533
48.803
47.578
50.245
49.729
50.129
49.635
49.036
48.027
47.077
50.154
50.414
49.809
51.315
48.232
47.286
46.037
44.911
47.943
49.212
48.937
48.442
47.854
46.245
45.120
44.336
43.170
45.649
44.638
44.094
44.222
43.107
43.234
42.669
41.670
44.869
43.940
42.933
42.023
44.453
44.831
45.731
43.108
42.084
40.881
39.916
42.618
43.746
44.922
44.585
45.111
40.928
39.783
39.483
38.587
40.174
40.403
41.628
39.393

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

11.03
6.31
10.89
11.39
2.81
2.00
4.09
12.00
12.28
13.17
13.72
14.97
17.93
24.52
15.63
17.82
19.04
19.00
23.11
20.96
19.59
11.64
13.32
23.43
18.24
14.85
18.27
22.25
15.22
12.95
14.54
12.46
14.90
14.16
16.27
12.49
19.72
19.85
18.70
16.80
20.24
27.44
16.63
22.23
27.94
27.68
32.11
27.94
37.25
42.12
53.53
63.94
27.66
30.33
31.94
34.84
30.57
28.06
30.29
34.70

1ACL3242
1ACL3243
1ACL3244
1ACL3245
1ACL3246
1ACL3247
1ACL3248
1ACL3249
1ACL3250
1ACL3251
1ACL3252
1ACL3253
1ACL3254
1ACL3255
1ACL3256
1ACL3257
1ACL3258
1ACL3259
1ACL3260
1ACL3261
1ACL3262
1ACL3263
1ACL3264
1ACL3265
1ACL3266
1ACL3267
1ACL3268
1ACL3269
1ACL3270
1ACL3271
1ACL3272
1ACL3273
1ACL3274
1ACL3275
1ACL3276
1ACL3277
1ACL3278
1ACL3279
1ACL3280
1ACL3281
1ACL3282
1ACL3283
1ACL3284
1ACL3285
1ACL3286
1ACL3287
1ACL3288
1ACL3289
1ACL3290
1ACL3291
1ACL3292
1ACL3293
1ACL3294
1ACL3295
1ACL3296
1ACL3297
1ACL3298
1ACL3299
1ACL3300
1ACL3301

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3161
3162
3163
3164
3165
3166
3167
3168
3169
3170
3171
3172
3173
3174
3175
3176
3177
3178
3179
3180
3181
3182
3183
3184
3185
3186
3187
3188
3189
3190
3191
3192
3193
3194
3195
3196
3197
3198
3199
3200
3201
3202
3203
3204
3205
3206
3207
3208
3209
3210
3211
3212
3213
3214
3215
3216
3217
3218
3219
3220

CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA

PHE
PHE
PHE
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
PHE

414
414
414
415
415
415
415
416
416
416
416
416
416
416
416
417
417
417
417
418
418
418
418
418
418
418
419
419
419
419
419
419
419
419
419
419
419
419
420
420
420
420
420
420
420
420
421
421
421
421
421
421
421
421
421
421
421
421
422
422

17.526
16.869
17.290
17.295
16.507
17.228
18.399
16.544
17.231
17.853
17.686
16.342
17.014
16.334
18.357
18.540
19.198
18.699
17.508
19.619
19.144
19.857
21.078
19.484
18.867
18.964
19.092
19.697
19.278
18.087
19.219
19.656
18.855
20.875
19.285
21.307
20.524
20.987
20.253
19.977
20.482
21.642
20.783
20.771
19.348
21.680
19.665
20.106
20.020
19.267
19.245
17.806
16.869
17.396
15.570
16.088
15.169
13.905
20.760
20.733

50.540
50.072
49.617
57.056
58.256
59.235
59.056
60.325
61.261
62.368
63.488
61.794
62.217
62.404
62.358
62.108
63.236
63.425
63.443
63.583
63.718
64.825
64.825
62.409
61.406
62.297
65.749
66.888
66.709
66.626
68.228
68.378
67.891
68.965
67.972
69.046
68.536
68.543
66.623
66.375
67.493
67.845
65.123
64.831
64.512
63.660
68.019
69.110
68.656
67.756
70.388
70.204
69.668
70.538
69.449
70.307
69.741
69.434
69.322
69.064

41.856
39.603
40.843
40.234
39.998
39.174
38.892
38.833
37.974
38.730
38.273
36.804
35.445
34.437
35.396
39.860
40.590
42.011
42.296
42.936
44.302
44.951
44.862
45.012
44.204
46.468
45.583
46.284
47.713
47.971
45.713
44.270
43.234
43.971
41.921
42.663
41.654
40.372
48.631
50.040
50.866
50.677
50.476
51.971
52.433
52.306
51.778
52.677
54.137
54.467
52.567
52.986
52.141
54.255
52.561
54.677
53.833
54.290
55.012
56.436

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

38.31
39.85
41.00
28.61
33.20
34.35
34.41
32.42
34.84
33.62
35.72
41.96
46.83
47.66
47.59
33.14
29.09
26.05
22.35
26.51
27.96
28.65
26.21
26.33
29.84
27.06
28.67
32.37
31.95
35.38
32.50
33.15
34.60
30.98
33.05
27.68
30.87
36.16
29.69
22.43
18.86
24.46
18.68
19.19
19.59
20.90
16.28
15.84
15.91
25.18
9.60
8.06
5.03
14.77
5.89
13.71
4.98
8.93
14.33
13.65

1ACL3302
1ACL3303
1ACL3304
1ACL3305
1ACL3306
1ACL3307
1ACL3308
1ACL3309
1ACL3310
1ACL3311
1ACL3312
1ACL3313
1ACL3314
1ACL3315
1ACL3316
1ACL3317
1ACL3318
1ACL3319
1ACL3320
1ACL3321
1ACL3322
1ACL3323
1ACL3324
1ACL3325
1ACL3326
1ACL3327
1ACL3328
1ACL3329
1ACL3330
1ACL3331
1ACL3332
1ACL3333
1ACL3334
1ACL3335
1ACL3336
1ACL3337
1ACL3338
1ACL3339
1ACL3340
1ACL3341
1ACL3342
1ACL3343
1ACL3344
1ACL3345
1ACL3346
1ACL3347
1ACL3348
1ACL3349
1ACL3350
1ACL3351
1ACL3352
1ACL3353
1ACL3354
1ACL3355
1ACL3356
1ACL3357
1ACL3358
1ACL3359
1ACL3360
1ACL3361

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3221
3222
3223
3224
3225
3226
3227
3228
3229
3230
3231
3232
3233
3234
3235
3236
3237
3238
3239
3240
3241
3242
3243
3244
3245
3246
3247
3248
3249
3250
3251
3252
3253
3254
3255
3256
3257
3258
3259
3260
3261
3262
3263
3264
3265
3266
3267
3268
3269
3270
3271
3272
3273
3274
3275
3276
3277
3278
3279
3280

C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
N
CA
C
O
CB
OG

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER

422
422
422
422
422
422
422
422
422
423
423
423
423
423
423
423
423
423
423
423
424
424
424
424
424
424
424
424
425
425
425
425
425
425
425
425
425
425
426
426
426
426
426
426
426
426
426
426
426
427
427
427
427
427
428
428
428
428
428
428

20.440
21.337
22.144
22.180
21.531
22.904
21.666
23.033
22.421
19.272
18.964
19.344
19.081
17.480
17.019
17.286
16.262
16.788
15.767
16.026
19.932
20.416
20.530
21.528
21.795
22.812
22.496
24.079
19.494
19.494
18.426
17.329
19.026
18.789
19.755
17.553
19.137
17.819
18.726
17.728
17.039
17.713
18.487
17.933
17.244
16.404
15.508
15.385
14.782
15.739
15.312
15.487
15.349
13.870
15.751
16.016
14.855
15.043
16.589
15.824

70.404
71.215
68.712
68.520
67.399
69.422
67.141
69.154
68.015
70.663
72.017
72.025
71.086
72.381
73.703
74.872
73.782
76.092
75.009
76.158
73.117
73.181
74.608
75.043
72.504
73.290
74.136
73.034
75.362
76.732
76.809
76.286
77.601
79.038
79.893
79.708
81.052
80.958
77.493
77.633
78.953
79.968
77.728
76.797
77.521
76.532
76.835
78.110
75.809
79.019
80.419
81.223
80.710
80.550
82.535
83.442
83.730
84.144
84.793
85.285

57.025
56.898
56.905
58.403
58.942
59.191
60.283
60.534
61.063
57.629
58.162
59.607
60.336
57.950
58.470
57.757
59.618
58.180
60.047
59.325
60.023
61.372
61.834
62.371
61.427
60.633
59.797
60.940
61.611
62.062
63.127
62.969
60.896
61.329
61.742
61.380
62.027
61.818
64.209
65.263
65.054
65.194
66.610
67.692
68.852
69.506
70.451
70.894
70.917
64.755
64.584
65.891
67.005
64.087
65.695
66.816
67.697
68.829
66.387
65.279

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

10.71
7.30
16.97
18.27
10.29
12.53
10.65
12.50
14.89
11.59
14.80
15.44
17.88
11.58
7.53
10.07
9.14
4.47
14.12
10.44
17.99
19.57
19.48
21.45
19.25
27.90
31.15
35.68
20.96
20.13
22.79
28.22
18.72
13.68
12.23
9.88
6.12
11.65
21.62
21.94
22.29
24.28
24.99
28.92
30.40
34.79
34.37
28.88
31.53
20.70
22.91
27.76
26.17
24.91
28.96
27.25
28.08
33.22
26.48
29.57

1ACL3362
1ACL3363
1ACL3364
1ACL3365
1ACL3366
1ACL3367
1ACL3368
1ACL3369
1ACL3370
1ACL3371
1ACL3372
1ACL3373
1ACL3374
1ACL3375
1ACL3376
1ACL3377
1ACL3378
1ACL3379
1ACL3380
1ACL3381
1ACL3382
1ACL3383
1ACL3384
1ACL3385
1ACL3386
1ACL3387
1ACL3388
1ACL3389
1ACL3390
1ACL3391
1ACL3392
1ACL3393
1ACL3394
1ACL3395
1ACL3396
1ACL3397
1ACL3398
1ACL3399
1ACL3400
1ACL3401
1ACL3402
1ACL3403
1ACL3404
1ACL3405
1ACL3406
1ACL3407
1ACL3408
1ACL3409
1ACL3410
1ACL3411
1ACL3412
1ACL3413
1ACL3414
1ACL3415
1ACL3416
1ACL3417
1ACL3418
1ACL3419
1ACL3420
1ACL3421

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3281
3282
3283
3284
3285
3286
3287
3288
3289
3290
3291
3292
3293
3294
3295
3296
3297
3298
3299
3300
3301
3302
3303
3304
3305
3306
3307
3308
3309
3310
3311
3312
3313
3314
3315
3316
3317
3318
3319
3320
3321
3322
3323
3324
3325
3326
3327
3328
3329
3330
3331
3332
3333
3334
3335
3336
3337
3338
3339
3340

N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2

ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP

429
429
429
429
429
429
429
429
430
430
430
430
430
430
430
430
431
431
431
431
431
431
431
432
432
432
432
432
432
432
432
432
432
432
432
432
432
433
433
433
433
433
433
433
434
434
434
434
434
434
435
435
435
435
435
435
435
435
435
435

13.673
12.467
11.711
10.484
11.558
11.280
11.908
10.328
12.418
11.676
11.049
11.646
12.655
12.179
13.115
10.803
9.873
9.350
9.694
9.520
7.835
7.397
7.140
10.107
10.461
11.809
12.555
10.576
9.204
8.629
8.243
7.369
7.067
8.145
5.906
6.952
5.850
12.100
13.329
14.464
14.402
13.158
11.957
11.229
15.556
16.814
17.255
17.901
17.953
19.218
16.931
17.442
16.930
17.608
17.294
15.850
14.995
15.103
13.777
13.786

83.563
83.830
82.572
82.633
84.716
84.160
83.216
84.835
81.421
80.184
80.280
80.910
78.982
77.799
76.600
77.328
79.686
79.759
78.549
78.472
79.867
81.260
78.824
77.510
76.297
76.522
77.420
75.185
74.814
75.228
74.033
74.744
74.000
73.473
73.379
72.900
72.829
75.679
75.793
75.324
74.337
74.859
73.964
74.610
76.031
75.809
74.392
74.003
76.591
76.796
73.629
72.265
71.488
70.598
71.475
71.150
71.894
70.048
71.308
70.174

67.149
67.891
68.219
68.326
67.046
65.669
65.165
65.042
68.366
68.630
70.038
70.888
68.515
67.678
67.803
68.090
70.290
71.652
72.483
73.679
71.665
71.269
70.793
71.809
72.513
73.206
72.826
71.470
70.989
69.779
71.678
69.694
70.820
72.935
71.257
73.349
72.518
74.236
74.982
74.137
73.421
76.194
75.905
74.720
74.327
73.636
73.560
72.593
74.353
73.509
74.621
74.570
73.383
72.883
75.897
76.235
77.099
75.787
77.211
76.432

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

24.62
24.81
25.77
31.04
31.49
36.73
40.42
38.82
20.98
14.33
14.02
17.13
7.24
4.05
3.29
5.94
7.50
8.87
10.36
14.65
9.27
15.73
15.09
17.08
13.91
17.65
14.88
13.92
13.40
10.18
15.32
20.50
17.78
14.29
9.68
16.66
10.47
19.73
21.13
24.34
32.32
22.56
22.39
22.02
24.15
20.26
20.43
23.48
22.24
23.51
17.16
15.38
15.49
20.88
9.65
6.59
8.18
4.53
2.00
3.46

1ACL3422
1ACL3423
1ACL3424
1ACL3425
1ACL3426
1ACL3427
1ACL3428
1ACL3429
1ACL3430
1ACL3431
1ACL3432
1ACL3433
1ACL3434
1ACL3435
1ACL3436
1ACL3437
1ACL3438
1ACL3439
1ACL3440
1ACL3441
1ACL3442
1ACL3443
1ACL3444
1ACL3445
1ACL3446
1ACL3447
1ACL3448
1ACL3449
1ACL3450
1ACL3451
1ACL3452
1ACL3453
1ACL3454
1ACL3455
1ACL3456
1ACL3457
1ACL3458
1ACL3459
1ACL3460
1ACL3461
1ACL3462
1ACL3463
1ACL3464
1ACL3465
1ACL3466
1ACL3467
1ACL3468
1ACL3469
1ACL3470
1ACL3471
1ACL3472
1ACL3473
1ACL3474
1ACL3475
1ACL3476
1ACL3477
1ACL3478
1ACL3479
1ACL3480
1ACL3481

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3341
3342
3343
3344
3345
3346
3347
3348
3349
3350
3351
3352
3353
3354
3355
3356
3357
3358
3359
3360
3361
3362
3363
3364
3365
3366
3367
3368
3369
3370
3371
3372
3373
3374
3375
3376
3377
3378
3379
3380
3381
3382
3383
3384
3385
3386
3387
3388
3389
3390
3391
3392
3393
3394
3395
3396
3397
3398
3399
3400

CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C

TRP
TRP
TRP
TRP
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLY
GLY
GLY
GLY
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
GLU
GLU
GLU

435
435
435
435
436
436
436
436
436
436
436
436
437
437
437
437
438
438
438
438
438
438
438
439
439
439
439
439
439
439
439
440
440
440
440
440
440
440
440
440
440
441
441
441
441
442
442
442
442
442
442
442
442
442
442
442
442
443
443
443

15.400
12.886
14.447
13.208
15.711
15.128
15.882
15.863
13.654
12.847
11.224
10.273
16.557
17.326
16.464
15.439
16.978
16.357
15.352
15.591
17.441
16.806
18.518
14.181
13.102
12.545
12.467
11.976
12.518
10.672
11.508
12.020
11.392
10.227
9.236
10.929
10.017
10.373
8.627
9.239
8.160
10.338
9.157
9.423
8.664
10.579
10.814
11.437
11.650
11.293
10.122
9.605
9.475
8.458
8.297
7.782
6.570
11.725
12.284
11.163

68.917
69.127
67.914
68.002
71.825
71.099
71.343
70.531
71.434
70.870
71.703
70.402
72.497
72.815
73.082
73.766
72.539
72.629
71.483
70.331
72.545
72.725
73.626
71.904
70.987
70.511
71.136
71.662
72.078
70.807
72.855
69.327
68.736
69.620
69.614
67.372
66.648
65.557
66.847
65.080
65.836
70.408
71.173
72.586
73.289
72.992
74.418
74.968
76.161
74.869
74.855
73.670
76.036
73.639
76.029
74.824
74.801
74.069
74.543
75.083

75.033
76.275
74.917
75.523
72.956
71.843
70.526
69.610
71.758
72.906
72.791
71.934
70.456
69.263
68.024
68.031
66.912
65.593
65.543
65.209
64.514
63.170
64.678
65.925
66.028
64.712
63.663
66.879
68.260
67.026
69.106
64.853
63.734
63.366
64.060
64.235
63.274
62.580
63.113
62.040
62.352
62.315
61.972
61.764
61.081
62.284
62.205
60.889
60.683
63.617
64.628
65.141
64.945
65.894
65.667
66.115
66.762
59.945
58.675
57.803

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

2.00
7.35
2.00
2.00
14.63
17.22
20.77
15.97
13.64
2.00
13.36
3.34
21.83
17.62
19.52
21.74
20.56
14.87
10.84
2.00
10.15
17.07
2.00
15.24
18.65
18.20
19.68
18.64
15.76
22.10
6.76
16.53
13.38
12.56
13.59
10.49
9.22
2.00
7.71
8.91
11.31
11.66
11.37
14.74
15.13
8.80
10.90
15.46
17.78
14.09
10.15
8.76
11.63
7.25
10.96
14.73
18.81
16.80
10.75
6.62

1ACL3482
1ACL3483
1ACL3484
1ACL3485
1ACL3486
1ACL3487
1ACL3488
1ACL3489
1ACL3490
1ACL3491
1ACL3492
1ACL3493
1ACL3494
1ACL3495
1ACL3496
1ACL3497
1ACL3498
1ACL3499
1ACL3500
1ACL3501
1ACL3502
1ACL3503
1ACL3504
1ACL3505
1ACL3506
1ACL3507
1ACL3508
1ACL3509
1ACL3510
1ACL3511
1ACL3512
1ACL3513
1ACL3514
1ACL3515
1ACL3516
1ACL3517
1ACL3518
1ACL3519
1ACL3520
1ACL3521
1ACL3522
1ACL3523
1ACL3524
1ACL3525
1ACL3526
1ACL3527
1ACL3528
1ACL3529
1ACL3530
1ACL3531
1ACL3532
1ACL3533
1ACL3534
1ACL3535
1ACL3536
1ACL3537
1ACL3538
1ACL3539
1ACL3540
1ACL3541

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3401
3402
3403
3404
3405
3406
3407
3408
3409
3410
3411
3412
3413
3414
3415
3416
3417
3418
3419
3420
3421
3422
3423
3424
3425
3426
3427
3428
3429
3430
3431
3432
3433
3434
3435
3436
3437
3438
3439
3440
3441
3442
3443
3444
3445
3446
3447
3448
3449
3450
3451
3452
3453
3454
3455
3456
3457
3458
3459
3460

O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O

GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU

443
443
443
443
443
443
444
444
444
444
444
444
444
444
445
445
445
445
445
445
445
445
445
446
446
446
446
446
446
446
446
446
446
446
447
447
447
447
447
447
447
448
448
448
448
448
448
448
448
448
448
448
449
449
449
449
450
450
450
450

11.292
13.053
12.208
11.274
11.586
10.215
10.028
8.828
8.666
8.543
7.549
7.602
6.230
6.318
8.727
8.483
9.378
9.058
8.392
9.713
9.428
8.679
9.974
10.532
11.498
11.112
11.133
12.918
13.499
13.119
14.432
13.687
15.002
14.636
10.752
10.345
9.148
9.049
10.006
9.385
11.281
8.226
7.037
7.121
6.111
5.856
5.137
5.755
3.829
5.100
3.170
3.815
8.308
8.452
7.952
7.620
7.901
7.433
8.481
8.117

76.050
73.433
72.512
71.573
70.990
71.390
74.412
74.821
76.350
76.931
74.217
72.691
74.668
71.984
77.030
78.477
79.288
80.422
79.091
79.177
78.961
78.009
79.731
78.674
79.316
79.039
79.911
78.822
79.616
79.335
80.625
80.025
81.317
81.011
77.797
77.458
78.262
78.643
75.954
75.464
75.183
78.531
79.269
80.791
81.468
78.684
77.521
76.298
77.690
75.249
76.648
75.428
81.350
82.814
83.637
84.828
83.027
83.886
84.860
85.935

57.056
57.995
57.118
57.811
58.848
57.248
57.940
57.224
57.171
56.109
57.901
57.967
57.261
58.432
58.331
58.313
57.411
57.034
59.726
60.540
62.022
62.329
62.846
57.127
56.261
54.858
54.023
56.558
57.714
59.007
57.504
60.052
58.561
59.846
54.588
53.228
52.803
51.668
53.174
51.871
53.467
53.687
53.282
53.448
53.539
54.070
53.412
53.267
52.935
52.645
52.306
52.157
53.533
53.637
54.843
54.726
56.026
57.127
57.586
58.013

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

5.99
14.48
12.88
13.06
16.99
14.39
2.31
4.64
10.13
14.75
2.00
6.70
2.00
2.00
13.33
14.14
14.87
12.25
19.92
20.23
21.74
8.56
22.08
15.75
18.55
17.49
17.20
22.08
26.45
26.46
28.40
28.55
26.70
25.70
18.42
14.80
14.09
22.33
11.26
7.48
11.04
12.33
10.22
12.27
17.76
6.40
7.57
4.84
8.07
6.30
11.19
12.95
14.09
19.76
23.62
22.21
23.89
22.44
19.34
15.48

1ACL3542
1ACL3543
1ACL3544
1ACL3545
1ACL3546
1ACL3547
1ACL3548
1ACL3549
1ACL3550
1ACL3551
1ACL3552
1ACL3553
1ACL3554
1ACL3555
1ACL3556
1ACL3557
1ACL3558
1ACL3559
1ACL3560
1ACL3561
1ACL3562
1ACL3563
1ACL3564
1ACL3565
1ACL3566
1ACL3567
1ACL3568
1ACL3569
1ACL3570
1ACL3571
1ACL3572
1ACL3573
1ACL3574
1ACL3575
1ACL3576
1ACL3577
1ACL3578
1ACL3579
1ACL3580
1ACL3581
1ACL3582
1ACL3583
1ACL3584
1ACL3585
1ACL3586
1ACL3587
1ACL3588
1ACL3589
1ACL3590
1ACL3591
1ACL3592
1ACL3593
1ACL3594
1ACL3595
1ACL3596
1ACL3597
1ACL3598
1ACL3599
1ACL3600
1ACL3601

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3461
3462
3463
3464
3465
3466
3467
3468
3469
3470
3471
3472
3473
3474
3475
3476
3477
3478
3479
3480
3481
3482
3483
3484
3485
3486
3487
3488
3489
3490
3491
3492
3493
3494
3495
3496
3497
3498
3499
3500
3501
3502
3503
3504
3505
3506
3507
3508
3509
3510
3511
3512
3513
3514
3515
3516
3517
3518
3519
3520

CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C

LEU
LEU
LEU
LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
TYR
TYR
TYR

450
450
450
450
451
451
451
451
451
451
451
452
452
452
452
452
452
452
452
453
453
453
453
453
453
453
454
454
454
454
454
454
454
454
454
455
455
455
455
455
455
456
456
456
456
456
456
456
456
457
457
457
457
457
457
457
457
458
458
458

6.986
5.561
5.026
5.538
9.784
10.774
10.767
11.723
12.133
11.798
10.369
9.749
9.678
8.789
8.922
9.211
10.132
11.613
9.728
7.866
6.963
7.765
8.234
5.883
4.722
5.371
7.869
8.647
8.011
8.623
8.856
9.454
10.809
11.383
12.688
6.688
5.851
6.138
6.021
4.366
4.116
6.510
6.747
8.189
8.625
5.903
5.669
6.732
4.267
8.918
10.275
11.268
11.574
10.237
9.371
8.438
9.717
11.790
12.849
14.068

83.076
82.538
82.401
81.161
84.535
85.583
86.823
87.597
84.849
83.397
83.193
86.976
88.170
89.156
90.347
87.916
87.028
87.155
85.546
88.642
89.474
90.112
89.451
88.513
89.268
87.570
91.441
92.099
92.039
91.948
93.571
93.718
92.986
93.171
92.545
92.096
92.096
90.936
91.091
92.115
93.110
89.790
88.658
88.428
87.325
87.422
87.155
86.211
86.589
89.524
89.543
88.446
87.664
89.476
90.459
90.095
91.745
88.359
87.340
88.218

58.320
58.225
56.796
58.899
57.503
57.734
56.824
56.858
57.714
58.000
57.439
55.955
55.090
55.793
55.617
53.624
52.764
53.136
52.829
56.579
57.347
58.538
59.465
57.871
58.490
56.781
58.535
59.606
61.011
62.081
59.200
57.783
57.584
56.171
56.086
60.915
62.091
62.991
64.183
61.695
60.558
62.434
63.322
63.798
64.115
62.976
61.492
60.986
61.247
63.838
64.376
64.066
64.958
65.936
66.673
67.389
66.494
62.845
62.652
62.485

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

28.34
28.93
30.82
28.05
17.48
16.30
18.99
24.60
12.09
10.19
13.24
21.49
23.48
23.41
24.73
19.27
17.61
11.68
14.92
28.41
36.66
43.30
46.58
33.11
35.04
33.69
45.59
49.69
49.24
46.31
53.38
61.47
64.58
66.21
71.67
45.99
41.36
42.88
47.28
35.18
31.47
41.75
41.90
42.09
41.04
41.69
39.63
35.03
41.80
41.46
43.16
41.67
45.32
47.45
52.99
54.01
50.76
38.01
33.60
35.47

1ACL3602
1ACL3603
1ACL3604
1ACL3605
1ACL3606
1ACL3607
1ACL3608
1ACL3609
1ACL3610
1ACL3611
1ACL3612
1ACL3613
1ACL3614
1ACL3615
1ACL3616
1ACL3617
1ACL3618
1ACL3619
1ACL3620
1ACL3621
1ACL3622
1ACL3623
1ACL3624
1ACL3625
1ACL3626
1ACL3627
1ACL3628
1ACL3629
1ACL3630
1ACL3631
1ACL3632
1ACL3633
1ACL3634
1ACL3635
1ACL3636
1ACL3637
1ACL3638
1ACL3639
1ACL3640
1ACL3641
1ACL3642
1ACL3643
1ACL3644
1ACL3645
1ACL3646
1ACL3647
1ACL3648
1ACL3649
1ACL3650
1ACL3651
1ACL3652
1ACL3653
1ACL3654
1ACL3655
1ACL3656
1ACL3657
1ACL3658
1ACL3659
1ACL3660
1ACL3661

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3521
3522
3523
3524
3525
3526
3527
3528
3529
3530
3531
3532
3533
3534
3535
3536
3537
3538
3539
3540
3541
3542
3543
3544
3545
3546
3547
3548
3549
3550
3551
3552
3553
3554
3555
3556
3557
3558
3559
3560
3561
3562
3563
3564
3565
3566
3567
3568
3569
3570
3571
3572
3573
3574
3575
3576
3577
3578
3579
3580

O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER

458
458
458
458
458
458
458
458
458
459
459
459
459
459
459
459
460
460
460
460
460
461
461
461
461
461
461
462
462
462
462
462
462
462
462
462
463
463
463
463
463
463
463
463
463
464
464
464
464
464
465
465
465
465
465
465
465
465
466
466

13.924
12.666
11.777
10.408
12.292
9.549
11.415
10.046
9.116
15.269
16.408
16.651
16.260
17.681
18.113
17.483
17.350
17.597
18.298
18.001
18.467
19.252
19.877
18.867
19.008
21.153
21.960
17.851
16.841
15.988
15.575
15.944
16.816
16.216
15.356
16.657
15.726
14.960
15.731
15.244
14.844
13.897
13.940
15.026
12.862
17.003
17.793
17.805
17.723
19.219
17.923
17.983
16.709
16.736
18.278
18.250
19.230
18.566
15.594
14.279

89.425
86.511
85.321
85.492
84.071
84.437
83.017
83.211
82.201
87.677
88.592
88.699
87.783
88.084
86.767
88.110
89.734
89.854
88.686
88.334
91.053
88.078
86.960
85.818
85.004
86.536
87.736
85.730
84.690
85.028
84.148
84.571
83.903
83.943
84.789
83.107
86.340
86.769
86.226
85.527
88.318
88.717
90.155
90.731
90.677
86.528
86.038
84.518
84.009
86.490
83.788
82.333
81.796
80.802
81.705
80.157
79.513
79.635
82.486
82.139

62.538
61.411
61.623
61.450
61.952
61.594
62.110
61.932
62.064
62.289
62.132
60.681
59.979
62.849
62.441
64.371
60.231
58.803
58.156
57.020
58.499
58.864
58.161
57.955
57.059
58.855
59.377
58.822
58.634
57.419
56.666
59.853
60.894
62.241
62.531
63.007
57.224
56.044
54.854
53.990
55.923
54.771
54.235
54.087
53.926
54.854
53.777
53.635
52.531
54.006
54.740
54.656
54.055
53.326
56.031
56.078
55.136
57.476
54.398
53.893

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

40.60
28.57
21.56
15.50
13.94
5.84
14.56
10.41
14.86
36.13
36.83
38.32
46.04
38.56
39.54
43.32
37.19
34.77
35.05
39.77
36.15
30.43
27.40
28.61
31.20
28.31
32.29
26.38
27.76
34.17
38.60
24.58
22.50
21.38
14.53
25.19
34.30
30.13
27.34
30.85
32.71
35.37
37.77
36.10
42.22
22.84
22.36
23.82
29.03
20.19
22.69
19.48
22.24
17.45
19.50
17.06
18.10
16.25
21.83
24.04

1ACL3662
1ACL3663
1ACL3664
1ACL3665
1ACL3666
1ACL3667
1ACL3668
1ACL3669
1ACL3670
1ACL3671
1ACL3672
1ACL3673
1ACL3674
1ACL3675
1ACL3676
1ACL3677
1ACL3678
1ACL3679
1ACL3680
1ACL3681
1ACL3682
1ACL3683
1ACL3684
1ACL3685
1ACL3686
1ACL3687
1ACL3688
1ACL3689
1ACL3690
1ACL3691
1ACL3692
1ACL3693
1ACL3694
1ACL3695
1ACL3696
1ACL3697
1ACL3698
1ACL3699
1ACL3700
1ACL3701
1ACL3702
1ACL3703
1ACL3704
1ACL3705
1ACL3706
1ACL3707
1ACL3708
1ACL3709
1ACL3710
1ACL3711
1ACL3712
1ACL3713
1ACL3714
1ACL3715
1ACL3716
1ACL3717
1ACL3718
1ACL3719
1ACL3720
1ACL3721

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3581
3582
3583
3584
3585
3586
3587
3588
3589
3590
3591
3592
3593
3594
3595
3596
3597
3598
3599
3600
3601
3602
3603
3604
3605
3606
3607
3608
3609
3610
3611
3612
3613
3614
3615
3616
3617
3618
3619
3620
3621
3622
3623
3624
3625
3626
3627
3628
3629
3630
3631
3632
3633
3634
3635
3636
3637
3638
3639
3640

C
O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2

SER
SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR

466
466
466
466
467
467
467
467
467
467
467
467
467
467
467
468
468
468
468
468
468
468
468
468
468
468
469
469
469
469
469
469
469
469
470
470
470
470
470
470
470
470
471
471
471
471
471
471
471
471
471
471
472
472
472
472
472
472
472
472

14.264
13.677
13.205
11.863
14.902
14.842
15.678
15.225
15.227
14.253
14.349
12.984
12.679
13.604
11.447
16.897
17.747
16.969
16.999
18.967
20.110
21.233
21.562
22.316
22.985
22.401
16.301
15.532
14.431
14.433
14.912
15.981
13.729
16.019
13.481
12.365
12.837
12.153
11.482
10.918
9.684
10.693
13.991
14.518
14.945
14.476
15.746
16.031
15.188
17.196
15.817
17.027
15.850
16.320
15.156
15.205
17.061
18.457
19.431
18.814

82.416
81.687
82.987
82.858
83.480
83.671
82.621
82.102
85.102
86.038
87.509
87.981
89.258
90.195
89.569
82.313
81.300
80.016
79.325
80.874
81.879
81.356
79.954
79.139
79.631
77.822
79.687
78.456
78.503
77.676
78.188
77.865
77.188
76.387
79.468
79.500
79.420
78.850
80.737
80.912
82.260
83.647
80.027
79.982
78.569
77.968
80.884
81.166
81.862
80.832
81.960
81.358
78.008
76.642
75.694
74.784
76.094
76.597
76.488
77.075

52.406
51.629
54.583
54.094
51.957
50.502
49.758
48.744
50.166
50.873
50.482
50.364
50.176
50.393
49.748
50.281
49.645
49.550
48.557
50.491
50.691
51.630
51.341
52.144
53.183
51.906
50.636
50.626
49.580
48.672
52.020
53.065
52.037
53.377
49.712
48.763
47.340
46.509
48.890
50.278
50.317
49.774
47.062
45.722
45.373
44.428
45.575
44.105
43.293
43.360
42.101
42.117
46.184
45.921
45.643
44.824
47.158
47.421
46.459
48.656

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

29.42
36.89
24.05
21.43
30.51
31.37
28.65
25.27
37.43
45.18
52.23
60.41
65.20
69.97
68.45
25.08
21.50
19.38
22.50
22.53
30.71
35.01
48.04
52.78
56.05
49.12
17.47
15.96
20.58
24.07
8.57
4.28
3.76
2.00
18.46
17.98
20.50
25.58
11.44
14.79
22.18
26.81
18.87
20.76
21.83
18.32
30.01
39.63
38.41
42.96
40.76
41.54
24.93
22.94
21.48
25.79
26.04
28.86
37.72
29.77

1ACL3722
1ACL3723
1ACL3724
1ACL3725
1ACL3726
1ACL3727
1ACL3728
1ACL3729
1ACL3730
1ACL3731
1ACL3732
1ACL3733
1ACL3734
1ACL3735
1ACL3736
1ACL3737
1ACL3738
1ACL3739
1ACL3740
1ACL3741
1ACL3742
1ACL3743
1ACL3744
1ACL3745
1ACL3746
1ACL3747
1ACL3748
1ACL3749
1ACL3750
1ACL3751
1ACL3752
1ACL3753
1ACL3754
1ACL3755
1ACL3756
1ACL3757
1ACL3758
1ACL3759
1ACL3760
1ACL3761
1ACL3762
1ACL3763
1ACL3764
1ACL3765
1ACL3766
1ACL3767
1ACL3768
1ACL3769
1ACL3770
1ACL3771
1ACL3772
1ACL3773
1ACL3774
1ACL3775
1ACL3776
1ACL3777
1ACL3778
1ACL3779
1ACL3780
1ACL3781

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3641
3642
3643
3644
3645
3646
3647
3648
3649
3650
3651
3652
3653
3654
3655
3656
3657
3658
3659
3660
3661
3662
3663
3664
3665
3666
3667
3668
3669
3670
3671
3672
3673
3674
3675
3676
3677
3678
3679
3680
3681
3682
3683
3684
3685
3686
3687
3688
3689
3690
3691
3692
3693
3694
3695
3696
3697
3698
3699
3700

CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2

TYR
TYR
TYR
TYR
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ALA
ALA
ALA
ALA
ALA
THR
THR
THR
THR
THR
THR
THR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR

472
472
472
472
473
473
473
473
473
473
473
473
473
473
473
473
473
473
474
474
474
474
474
475
475
475
475
475
475
475
476
476
476
476
476
476
476
476
476
476
476
477
477
477
477
477
478
478
478
478
478
478
478
479
479
479
479
479
479
479

20.753
20.118
21.113
22.455
14.091
12.920
12.232
12.060
12.001
12.071
10.948
13.148
11.272
12.595
14.493
13.411
15.282
14.754
11.841
11.126
12.035
11.658
10.529
13.245
14.162
14.280
14.363
15.499
15.190
16.597
14.273
14.298
12.967
12.923
14.507
14.278
15.280
13.068
15.089
12.870
13.886
11.862
10.542
10.314
9.300
9.436
11.227
11.081
12.274
12.266
10.885
11.760
11.330
13.372
14.544
14.837
15.517
15.634
15.285
17.058

76.797
77.392
77.233
77.473
75.937
75.155
75.369
74.407
75.490
74.448
73.728
74.016
72.899
73.015
74.350
72.420
73.724
72.779
76.627
76.879
76.601
75.911
78.232
77.094
76.741
75.219
74.709
77.461
78.843
77.029
74.449
73.009
72.519
71.673
72.261
70.772
69.959
70.214
68.598
68.852
68.046
73.083
72.685
72.771
72.265
73.450
73.455
73.559
72.996
72.073
74.976
76.080
77.461
73.544
73.045
71.586
70.933
73.879
75.215
73.699

46.727
48.930
47.978
48.261
46.398
46.302
44.979
44.240
47.474
48.589
49.027
49.415
50.037
50.335
49.530
51.285
50.498
51.360
44.667
43.412
42.296
41.378
43.271
42.349
41.269
41.099
39.990
41.459
41.251
40.489
42.176
41.924
41.273
40.385
43.235
43.080
42.581
43.447
42.479
43.348
42.877
41.740
41.266
39.755
39.265
42.002
39.027
37.571
36.924
36.140
37.038
37.636
37.170
37.283
36.684
36.965
36.186
37.341
37.028
36.824

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

41.64
36.53
41.72
46.62
16.92
13.23
16.32
18.82
15.07
21.79
22.55
22.50
20.05
17.44
22.01
20.22
18.50
16.42
15.99
9.96
10.13
16.20
5.60
7.50
10.23
13.78
22.64
8.38
9.92
2.00
16.78
16.86
19.61
19.64
9.90
7.79
3.58
2.20
3.85
2.00
3.70
19.56
21.20
25.07
26.84
10.90
24.87
25.22
27.31
35.14
25.34
30.10
35.25
24.39
25.00
27.35
33.93
25.77
31.32
35.23

1ACL3782
1ACL3783
1ACL3784
1ACL3785
1ACL3786
1ACL3787
1ACL3788
1ACL3789
1ACL3790
1ACL3791
1ACL3792
1ACL3793
1ACL3794
1ACL3795
1ACL3796
1ACL3797
1ACL3798
1ACL3799
1ACL3800
1ACL3801
1ACL3802
1ACL3803
1ACL3804
1ACL3805
1ACL3806
1ACL3807
1ACL3808
1ACL3809
1ACL3810
1ACL3811
1ACL3812
1ACL3813
1ACL3814
1ACL3815
1ACL3816
1ACL3817
1ACL3818
1ACL3819
1ACL3820
1ACL3821
1ACL3822
1ACL3823
1ACL3824
1ACL3825
1ACL3826
1ACL3827
1ACL3828
1ACL3829
1ACL3830
1ACL3831
1ACL3832
1ACL3833
1ACL3834
1ACL3835
1ACL3836
1ACL3837
1ACL3838
1ACL3839
1ACL3840
1ACL3841

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3701
3702
3703
3704
3705
3706
3707
3708
3709
3710
3711
3712
3713
3714
3715
3716
3717
3718
3719
3720
3721
3722
3723
3724
3725
3726
3727
3728
3729
3730
3731
3732
3733
3734
3735
3736
3737
3738
3739
3740
3741
3742
3743
3744
3745
3746
3747
3748
3749
3750
3751
3752
3753
3754
3755
3756
3757
3758
3759
3760

N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2

GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP

480
480
480
480
481
481
481
481
481
481
481
481
482
482
482
482
482
482
482
483
483
483
483
483
483
483
483
484
484
484
484
484
484
490
490
490
490
490
490
491
491
491
491
491
491
491
491
491
492
492
492
492
492
492
492
492
492
492
492
492

14.336
14.798
16.104
16.696
16.540
17.736
17.642
17.049
18.955
20.055
21.158
19.707
18.211
17.922
18.729
18.335
18.353
19.432
19.153
19.930
20.685
20.566
20.593
22.171
22.715
23.160
22.597
20.413
20.290
21.677
22.653
19.401
19.794
28.748
27.618
26.710
25.511
28.114
28.475
27.315
26.475
26.362
27.327
27.111
27.596
26.691
25.519
25.982
25.156
24.719
24.899
24.205
23.262
22.392
22.586
21.153
21.528
20.604
20.419
19.368

71.033
69.665
69.807
68.840
71.085
71.290
72.647
73.574
71.038
72.004
71.720
73.220
72.705
73.759
75.014
76.083
73.158
72.136
71.712
74.911
76.185
76.553
75.659
76.122
74.748
74.092
74.256
77.864
78.319
78.493
78.223
79.608
80.886
77.063
77.667
76.653
76.660
78.605
79.713
75.811
74.781
73.792
73.579
74.154
75.196
75.342
76.335
77.719
73.314
72.364
71.050
70.765
72.798
71.877
70.502
72.209
69.994
70.985
73.374
70.972

38.062
38.310
39.108
39.575
39.314
40.096
40.840
40.294
39.245
39.427
39.849
39.056
42.092
43.049
42.866
43.300
44.393
44.083
42.646
42.319
42.143
40.676
39.845
42.556
42.308
43.227
41.074
40.376
38.979
38.356
39.060
38.820
39.599
46.394
45.668
45.051
45.280
44.574
45.360
44.204
43.660
44.807
45.541
42.405
41.343
40.081
40.249
40.335
44.969
45.932
45.157
44.195
46.228
47.067
47.324
47.647
48.010
48.229
47.742
48.840

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

25.37
17.83
18.25
11.76
17.79
19.88
22.50
24.60
22.38
21.87
21.33
28.82
20.75
21.09
24.54
28.21
18.23
11.28
19.54
25.41
31.70
34.97
33.38
28.36
31.27
30.91
31.51
39.09
41.51
44.88
48.50
41.42
34.03
52.85
52.15
48.09
44.82
54.59
65.43
43.61
42.28
38.08
40.07
47.04
57.61
59.38
62.06
63.43
29.29
19.26
17.17
18.11
13.90
8.58
14.27
2.40
16.63
4.08
2.00
2.00

1ACL3842
1ACL3843
1ACL3844
1ACL3845
1ACL3846
1ACL3847
1ACL3848
1ACL3849
1ACL3850
1ACL3851
1ACL3852
1ACL3853
1ACL3854
1ACL3855
1ACL3856
1ACL3857
1ACL3858
1ACL3859
1ACL3860
1ACL3861
1ACL3862
1ACL3863
1ACL3864
1ACL3865
1ACL3866
1ACL3867
1ACL3868
1ACL3869
1ACL3870
1ACL3871
1ACL3872
1ACL3873
1ACL3874
1ACL3875
1ACL3876
1ACL3877
1ACL3878
1ACL3879
1ACL3880
1ACL3881
1ACL3882
1ACL3883
1ACL3884
1ACL3885
1ACL3886
1ACL3887
1ACL3888
1ACL3889
1ACL3890
1ACL3891
1ACL3892
1ACL3893
1ACL3894
1ACL3895
1ACL3896
1ACL3897
1ACL3898
1ACL3899
1ACL3900
1ACL3901

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3761
3762
3763
3764
3765
3766
3767
3768
3769
3770
3771
3772
3773
3774
3775
3776
3777
3778
3779
3780
3781
3782
3783
3784
3785
3786
3787
3788
3789
3790
3791
3792
3793
3794
3795
3796
3797
3798
3799
3800
3801
3802
3803
3804
3805
3806
3807
3808
3809
3810
3811
3812
3813
3814
3815
3816
3817
3818
3819
3820

CZ3
CH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
CE
N
CA
C
O
CB
N
CA
C
O
CB

TRP
TRP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN

492
492
493
493
493
493
493
493
493
494
494
494
494
494
494
494
494
495
495
495
495
495
495
495
495
495
495
495
496
496
496
496
496
496
496
497
497
497
497
497
497
497
498
498
498
498
498
498
498
498
499
499
499
499
499
500
500
500
500
500

19.180
18.658
25.879
26.108
24.971
24.050
27.206
27.844
26.842
25.109
24.132
24.698
25.914
24.168
23.370
23.925
21.892
23.732
24.026
24.353
23.729
22.785
23.040
22.928
23.506
23.290
23.871
23.760
25.377
25.827
26.351
27.004
26.939
26.735
26.963
26.099
26.465
27.965
28.383
25.803
25.740
24.370
28.775
30.179
30.572
30.656
30.977
32.086
33.388
33.542
30.789
31.192
29.972
29.918
32.311
28.972
27.676
27.543
27.328
27.115

73.327
72.145
70.245
69.015
68.079
68.158
68.231
69.309
70.495
67.152
66.095
65.100
64.937
65.251
65.804
65.238
65.414
64.423
63.373
62.212
61.993
63.014
61.880
60.570
62.141
59.528
61.102
59.798
61.472
60.338
59.339
59.597
60.736
62.055
59.789
58.130
56.983
56.776
55.707
55.742
55.948
55.535
57.764
57.555
58.440
58.035
57.787
56.735
57.095
56.356
59.715
60.691
61.505
62.696
61.599
60.822
61.334
62.765
62.965
60.284

48.387
48.921
45.511
44.775
44.730
45.537
45.550
46.410
46.547
43.773
43.715
44.686
44.853
42.426
41.264
39.985
41.387
45.268
46.168
45.230
44.196
47.009
47.967
47.544
49.238
48.376
50.067
49.636
45.626
44.896
45.895
46.899
43.936
43.424
42.749
45.521
46.309
46.501
46.923
45.672
44.260
46.147
46.156
46.358
47.481
48.631
45.068
44.917
45.671
46.994
47.150
48.176
48.535
48.357
47.609
49.026
49.404
50.017
51.212
50.356

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

5.89
2.00
14.27
16.10
18.98
28.06
3.62
12.33
10.58
19.44
18.92
19.90
19.07
19.67
22.84
23.70
32.01
18.30
19.24
24.59
23.93
18.38
16.89
22.72
19.44
23.56
20.73
21.93
30.29
30.22
32.82
33.90
29.34
32.63
34.44
34.26
35.72
36.32
36.75
34.37
36.98
32.36
37.10
43.03
45.53
51.28
47.35
54.79
57.70
62.46
46.95
47.07
43.25
45.49
53.72
37.84
36.11
36.29
39.07
38.36

1ACL3902
1ACL3903
1ACL3904
1ACL3905
1ACL3906
1ACL3907
1ACL3908
1ACL3909
1ACL3910
1ACL3911
1ACL3912
1ACL3913
1ACL3914
1ACL3915
1ACL3916
1ACL3917
1ACL3918
1ACL3919
1ACL3920
1ACL3921
1ACL3922
1ACL3923
1ACL3924
1ACL3925
1ACL3926
1ACL3927
1ACL3928
1ACL3929
1ACL3930
1ACL3931
1ACL3932
1ACL3933
1ACL3934
1ACL3935
1ACL3936
1ACL3937
1ACL3938
1ACL3939
1ACL3940
1ACL3941
1ACL3942
1ACL3943
1ACL3944
1ACL3945
1ACL3946
1ACL3947
1ACL3948
1ACL3949
1ACL3950
1ACL3951
1ACL3952
1ACL3953
1ACL3954
1ACL3955
1ACL3956
1ACL3957
1ACL3958
1ACL3959
1ACL3960
1ACL3961

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3821
3822
3823
3824
3825
3826
3827
3828
3829
3830
3831
3832
3833
3834
3835
3836
3837
3838
3839
3840
3841
3842
3843
3844
3845
3846
3847
3848
3849
3850
3851
3852
3853
3854
3855
3856
3857
3858
3859
3860
3861
3862
3863
3864
3865
3866
3867
3868
3869
3870
3871
3872
3873
3874
3875
3876
3877
3878
3879
3880

CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O

GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
THR
THR
THR
THR

500
500
500
500
501
501
501
501
501
501
501
501
501
502
502
502
502
502
502
502
502
502
502
502
503
503
503
503
503
503
503
503
504
504
504
504
504
504
504
504
505
505
505
505
505
505
505
505
506
506
506
506
506
506
506
506
507
507
507
507

27.768
26.747
26.035
26.623
27.672
27.641
26.265
25.273
28.153
29.663
30.161
31.648
32.151
26.234
24.981
25.419
26.608
24.212
24.913
24.701
25.754
25.315
26.356
26.132
24.499
24.988
24.285
23.208
24.685
23.220
25.616
22.819
24.909
24.128
23.395
23.919
24.794
26.187
26.361
27.078
22.192
21.382
21.164
20.334
20.117
19.152
19.828
18.210
21.936
21.734
22.185
22.526
22.501
23.978
24.550
24.619
22.172
22.563
24.046
24.465

58.892
57.927
58.168
56.841
63.755
65.144
65.672
65.231
65.944
65.960
66.518
66.874
67.145
66.674
67.316
68.674
68.894
66.535
66.554
67.625
65.522
67.680
65.569
66.644
69.581
70.860
71.228
70.691
71.980
72.052
71.928
73.542
72.144
72.539
73.726
74.503
73.003
72.566
71.405
73.433
73.871
74.949
75.840
75.552
74.232
75.011
75.854
73.959
76.903
77.782
79.138
79.326
77.361
77.248
77.947
76.313
80.073
81.466
81.733
82.875

50.382
50.922
51.896
50.194
49.151
49.518
49.838
49.271
48.300
48.191
46.868
46.962
45.636
50.719
51.067
51.555
51.728
52.143
53.496
54.361
53.874
55.583
55.108
55.953
51.802
52.299
53.578
53.866
51.307
50.814
50.136
50.731
54.372
55.541
55.000
54.207
56.844
57.167
57.588
57.031
55.477
55.031
56.220
57.065
54.601
53.751
52.660
53.121
56.353
57.511
57.063
55.916
58.788
58.504
57.692
59.172
58.001
57.783
57.537
57.420

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

37.30
39.00
44.07
39.64
32.20
30.62
30.51
33.46
30.82
35.00
39.79
43.16
51.63
24.70
24.02
21.94
21.88
24.19
25.03
23.73
22.63
19.61
23.81
24.66
19.03
22.75
28.00
31.51
18.94
14.81
19.52
11.00
25.84
27.24
24.74
26.19
31.88
38.48
36.33
41.33
20.55
18.98
21.10
22.60
15.74
16.85
17.95
15.94
22.79
27.57
31.29
34.75
25.23
26.35
20.01
37.06
32.75
31.84
31.35
32.78

1ACL3962
1ACL3963
1ACL3964
1ACL3965
1ACL3966
1ACL3967
1ACL3968
1ACL3969
1ACL3970
1ACL3971
1ACL3972
1ACL3973
1ACL3974
1ACL3975
1ACL3976
1ACL3977
1ACL3978
1ACL3979
1ACL3980
1ACL3981
1ACL3982
1ACL3983
1ACL3984
1ACL3985
1ACL3986
1ACL3987
1ACL3988
1ACL3989
1ACL3990
1ACL3991
1ACL3992
1ACL3993
1ACL3994
1ACL3995
1ACL3996
1ACL3997
1ACL3998
1ACL3999
1ACL4000
1ACL4001
1ACL4002
1ACL4003
1ACL4004
1ACL4005
1ACL4006
1ACL4007
1ACL4008
1ACL4009
1ACL4010
1ACL4011
1ACL4012
1ACL4013
1ACL4014
1ACL4015
1ACL4016
1ACL4017
1ACL4018
1ACL4019
1ACL4020
1ACL4021

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3881
3882
3883
3884
3885
3886
3887
3888
3889
3890
3891
3892
3893
3894
3895
3896
3897
3898
3899
3900
3901
3902
3903
3904
3905
3906
3907
3908
3909
3910
3911
3912
3913
3914
3915
3916
3917
3918
3919
3920
3921
3922
3923
3924
3925
3926
3927
3928
3929
3930
3931
3932
3933
3934
3935
3936
3937
3938
3939
3940

CB
OG1
CG2
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N

THR
THR
THR
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ARG

507
507
507
508
508
508
508
508
508
509
509
509
509
509
509
509
510
510
510
510
510
510
510
510
511
511
511
511
511
511
511
511
511
512
512
512
512
512
512
512
513
513
513
513
513
513
513
513
513
513
514
514
514
514
514
514
514
514
514
515

22.106
22.406
20.603
24.864
26.283
26.479
25.697
27.144
27.509
27.535
27.883
27.868
28.771
29.268
29.391
28.382
26.837
26.676
27.954
28.728
25.401
25.276
26.102
25.212
28.091
29.221
28.757
27.808
29.741
30.969
31.574
32.908
33.741
29.440
29.085
29.854
31.000
29.541
29.491
28.767
29.225
29.878
29.584
28.902
29.136
29.196
28.562
29.922
28.926
29.715
30.026
29.672
29.106
29.076
30.903
31.390
32.789
33.067
33.698
28.647

82.302
81.558
82.597
80.706
80.915
80.391
79.557
80.102
80.810
80.857
80.301
78.749
78.058
80.907
82.158
81.980
78.240
76.812
76.103
76.473
76.344
76.711
75.404
75.692
75.023
74.154
72.776
72.232
74.245
73.385
73.761
73.021
73.743
72.198
70.836
69.963
70.267
70.574
69.118
71.429
68.878
67.925
66.616
66.613
67.873
69.173
70.308
69.430
71.213
70.728
65.493
64.191
63.250
63.529
63.527
64.199
63.673
62.478
64.632
62.120

58.989
60.192
58.993
57.529
57.253
55.819
55.382
58.249
59.542
55.086
53.745
53.600
54.061
53.443
54.339
55.492
52.888
52.765
52.365
51.489
52.044
50.559
49.602
48.049
53.087
53.014
52.657
53.207
54.474
54.837
56.220
56.523
57.493
51.706
51.363
52.339
52.677
49.907
49.453
48.913
52.776
53.682
53.061
52.056
55.021
55.773
55.395
56.965
56.312
57.271
53.623
53.034
54.080
55.251
52.484
51.215
50.975
50.958
50.867
53.638

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

32.45
39.71
28.89
35.18
42.37
48.95
55.10
41.46
39.43
52.42
54.59
53.20
53.03
57.10
57.84
54.88
50.86
48.64
44.81
44.36
52.03
50.91
46.61
49.81
43.05
41.58
34.61
34.81
48.96
59.73
66.88
72.24
73.60
29.07
24.05
23.00
25.88
21.82
20.52
21.93
19.62
19.87
17.08
21.33
30.32
34.56
31.56
37.44
32.66
35.74
17.07
19.73
18.89
23.51
26.10
35.48
43.25
46.91
47.80
19.59

1ACL4022
1ACL4023
1ACL4024
1ACL4025
1ACL4026
1ACL4027
1ACL4028
1ACL4029
1ACL4030
1ACL4031
1ACL4032
1ACL4033
1ACL4034
1ACL4035
1ACL4036
1ACL4037
1ACL4038
1ACL4039
1ACL4040
1ACL4041
1ACL4042
1ACL4043
1ACL4044
1ACL4045
1ACL4046
1ACL4047
1ACL4048
1ACL4049
1ACL4050
1ACL4051
1ACL4052
1ACL4053
1ACL4054
1ACL4055
1ACL4056
1ACL4057
1ACL4058
1ACL4059
1ACL4060
1ACL4061
1ACL4062
1ACL4063
1ACL4064
1ACL4065
1ACL4066
1ACL4067
1ACL4068
1ACL4069
1ACL4070
1ACL4071
1ACL4072
1ACL4073
1ACL4074
1ACL4075
1ACL4076
1ACL4077
1ACL4078
1ACL4079
1ACL4080
1ACL4081

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3941
3942
3943
3944
3945
3946
3947
3948
3949
3950
3951
3952
3953
3954
3955
3956
3957
3958
3959
3960
3961
3962
3963
3964
3965
3966
3967
3968
3969
3970
3971
3972
3973
3974
3975
3976
3977
3978
3979
3980
3981
3982
3983
3984
3985
3986
3987
3988
3989
3990
3991
3992
3993
3994
3995
3996
3997
3998
3999
4000

CA
C
O
CB
CG
CD
NE
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
SG
N
CA
C
O

ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
MET
MET
MET
MET
MET
MET
MET
MET
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL

515
515
515
515
515
515
515
516
516
516
516
516
516
516
516
517
517
517
517
517
517
517
517
517
517
517
518
518
518
518
518
518
518
519
519
519
519
519
519
519
519
519
520
520
520
520
520
520
520
520
521
521
521
521
521
521
522
522
522
522

28.100
27.349
27.861
29.171
30.196
30.843
31.940
26.102
25.253
25.032
24.662
23.823
23.160
21.628
23.721
25.244
25.077
25.511
24.788
23.618
22.814
23.578
24.138
23.369
22.098
23.911
26.684
27.035
27.260
26.773
28.223
29.466
28.557
27.974
28.260
27.069
26.971
29.320
30.395
31.849
32.716
32.073
26.157
24.963
23.987
23.319
24.328
25.318
25.410
26.076
23.908
22.967
23.349
22.487
22.542
21.608
24.646
25.056
24.372
23.683

61.066
61.426
61.189
59.991
59.849
58.453
58.269
61.978
62.340
61.118
60.038
62.785
63.994
63.829
64.267
61.310
60.265
58.938
57.969
60.055
61.290
62.426
62.017
61.905
62.321
61.372
58.864
57.565
56.490
55.380
57.682
58.281
56.340
56.825
55.745
55.195
54.015
56.142
57.120
56.767
56.835
56.349
56.110
55.690
55.020
54.054
56.884
57.702
57.102
55.423
55.550
54.958
53.549
52.823
55.947
57.275
53.175
51.785
50.923
49.934

54.475
55.790
56.886
54.765
53.635
53.486
54.411
55.653
56.828
57.789
57.348
56.377
57.070
57.110
58.448
59.111
60.133
59.642
59.830
60.611
61.008
61.731
63.006
64.078
64.052
65.173
59.049
58.522
59.554
59.428
57.577
58.265
56.907
60.627
61.583
62.284
62.587
62.614
62.038
62.354
61.488
63.591
62.550
63.246
62.311
62.666
63.996
64.856
66.598
66.402
61.089
60.165
59.720
59.234
59.128
59.889
59.910
59.615
60.702
60.494

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

27.93
29.61
31.16
28.47
38.78
42.80
45.83
28.53
25.85
23.53
23.76
23.79
18.81
12.70
19.94
20.54
20.17
20.33
24.00
23.96
32.86
38.46
37.21
36.25
34.88
36.56
22.54
25.46
29.02
31.45
26.37
29.02
31.03
32.45
35.37
31.85
36.71
43.80
59.10
63.86
68.98
68.63
26.99
24.28
22.67
21.31
23.19
25.60
31.10
16.86
20.45
17.47
19.19
11.73
12.51
13.65
21.37
18.63
19.29
21.91

1ACL4082
1ACL4083
1ACL4084
1ACL4085
1ACL4086
1ACL4087
1ACL4088
1ACL4089
1ACL4090
1ACL4091
1ACL4092
1ACL4093
1ACL4094
1ACL4095
1ACL4096
1ACL4097
1ACL4098
1ACL4099
1ACL4100
1ACL4101
1ACL4102
1ACL4103
1ACL4104
1ACL4105
1ACL4106
1ACL4107
1ACL4108
1ACL4109
1ACL4110
1ACL4111
1ACL4112
1ACL4113
1ACL4114
1ACL4115
1ACL4116
1ACL4117
1ACL4118
1ACL4119
1ACL4120
1ACL4121
1ACL4122
1ACL4123
1ACL4124
1ACL4125
1ACL4126
1ACL4127
1ACL4128
1ACL4129
1ACL4130
1ACL4131
1ACL4132
1ACL4133
1ACL4134
1ACL4135
1ACL4136
1ACL4137
1ACL4138
1ACL4139
1ACL4140
1ACL4141

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4001
4002
4003
4004
4005
4006
4007
4008
4009
4010
4011
4012
4013
4014
4015
4016
4017
4018
4019
4020
4021
4022
4023
4024
4025
4026
4027
4028
4029
4030
4031
4032
4033
4034
4035
4036
4037
4038
4039
4040
4041
4042
4043
4044
4045
4046
4047
4048
4049
4050
4051
4052
4053
4054
4055
4056
4057
4058
4059
4060

CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1

VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLN
GLN
GLN
GLN
GLN
GLN
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU

522
522
522
523
523
523
523
523
523
523
523
523
523
523
524
524
524
524
524
524
524
524
524
524
524
524
524
524
525
525
525
525
525
525
525
525
526
526
526
526
526
526
527
527
527
527
527
527
527
527
527
527
527
528
528
528
528
528
528
528

26.614
27.083
27.339
24.554
23.959
22.452
21.923
24.255
23.505
23.738
22.550
23.008
21.813
22.047
21.765
20.312
19.733
18.734
19.721
19.774
20.550
18.998
20.260
19.346
18.027
18.742
17.418
17.775
20.384
19.919
20.457
19.925
20.355
19.576
18.490
20.132
21.520
22.061
22.310
21.863
23.348
23.300
23.009
23.345
22.177
21.961
24.372
24.874
25.620
24.516
25.986
24.892
25.610
21.441
20.290
19.432
19.275
19.556
19.290
18.422

51.608
50.153
52.332
51.357
50.637
50.398
49.303
51.429
50.958
49.684
51.759
49.198
51.277
49.998
51.476
51.376
50.709
49.990
52.776
53.363
54.465
53.011
54.801
53.955
52.073
53.914
52.053
52.959
51.031
50.507
49.124
48.436
51.395
52.691
52.852
53.671
48.714
47.378
46.504
45.356
47.520
48.724
47.094
46.271
45.720
44.516
46.937
45.969
44.868
46.113
43.892
45.150
44.040
46.682
46.373
45.326
44.215
47.650
47.720
48.922

59.648
59.606
58.498
61.943
63.088
62.948
63.114
64.395
65.602
66.108
66.197
67.187
67.275
67.761
62.589
62.510
61.296
61.381
62.553
63.929
64.306
65.053
65.588
66.095
65.341
67.331
66.591
67.568
60.160
58.883
58.565
57.706
57.735
57.658
58.190
56.942
59.233
58.919
60.172
60.254
58.061
57.086
61.175
62.348
63.155
63.260
63.269
64.310
63.929
65.628
64.839
66.546
66.151
63.732
64.530
63.802
64.273
64.990
66.497
66.869

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

16.80
15.88
14.78
20.83
15.91
12.65
9.43
12.05
8.68
15.08
4.42
8.07
4.98
6.32
12.58
12.07
15.25
14.62
10.51
8.89
12.36
13.37
19.13
17.10
20.07
18.50
16.54
20.19
15.02
14.36
17.09
19.46
13.49
15.83
12.63
16.57
15.95
18.32
18.61
16.50
18.00
23.34
16.04
17.15
16.95
12.17
14.59
12.50
18.65
14.55
15.62
19.27
15.97
17.12
15.40
15.76
16.98
13.74
14.93
13.01

1ACL4142
1ACL4143
1ACL4144
1ACL4145
1ACL4146
1ACL4147
1ACL4148
1ACL4149
1ACL4150
1ACL4151
1ACL4152
1ACL4153
1ACL4154
1ACL4155
1ACL4156
1ACL4157
1ACL4158
1ACL4159
1ACL4160
1ACL4161
1ACL4162
1ACL4163
1ACL4164
1ACL4165
1ACL4166
1ACL4167
1ACL4168
1ACL4169
1ACL4170
1ACL4171
1ACL4172
1ACL4173
1ACL4174
1ACL4175
1ACL4176
1ACL4177
1ACL4178
1ACL4179
1ACL4180
1ACL4181
1ACL4182
1ACL4183
1ACL4184
1ACL4185
1ACL4186
1ACL4187
1ACL4188
1ACL4189
1ACL4190
1ACL4191
1ACL4192
1ACL4193
1ACL4194
1ACL4195
1ACL4196
1ACL4197
1ACL4198
1ACL4199
1ACL4200
1ACL4201

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM

4061
4062
4063
4064
4065
4066
4067
4068
4069
4070
4071
4072
4073
4074
4075
4076
4077
4078
4079
4080
4081
4082
4083
4084
4085
4086
4087
4088
4089
4090
4091
4092
4093
4094
4095
4096
4097
4098
4099
4100
4101
4102
4103
4104
4105
4106
4107
4108
4109
4110
4111
4112
4113
4114
4115
4116
4117
4118
4119
4120

CD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
OG1
CG2
O
O
O
O
O
O
O
O
O

LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ALA
ALA
ALA
ALA
ALA
THR
THR
THR
THR
THR
THR
THR
THR
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH

528
529
529
529
529
529
529
529
530
530
530
530
530
530
530
530
530
531
531
531
531
531
531
531
531
532
532
532
532
532
532
532
532
533
533
533
533
533
534
534
534
534
534
535
535
535
535
535
535
535
535
601
602
603
604
605
606
607
608
609

18.601
18.910
18.054
18.577
17.853
17.947
18.393
19.147
19.883
20.479
20.549
20.487
21.835
22.437
23.907
24.407
25.855
20.679
20.724
19.299
19.037
21.241
21.531
22.813
20.404
18.328
16.985
16.499
15.614
16.012
16.263
15.347
16.134
17.094
16.717
17.186
16.439
17.347
18.472
19.023
18.248
17.313
20.524
18.689
18.004
18.853
19.531
17.412
16.754
18.418

46.479
45.643
44.681
43.235
42.272
45.274
46.761
46.909
43.112
41.793
41.126
39.911
41.961
40.624
40.726
39.388
39.369
41.981
41.523
41.141
40.131
42.709
42.432
43.146
42.930
41.994
41.664
40.485
39.765
42.860
44.004
45.196
43.625
40.297
39.152
37.873
36.915
39.139
37.839
36.638
36.463
35.682
36.814
37.188
37.252
38.143
37.650
35.912
36.179
34.777

67.008
62.621
61.934
61.935
62.157
60.516
60.563
61.885
61.690
61.665
63.085
63.292
61.002
60.578
60.123
59.557
59.415
64.087
65.460
65.914
66.551
66.307
67.809
68.197
68.736
65.586
66.009
65.205
65.645
65.944
66.965
66.747
68.451
64.001
63.154
63.788
63.815
61.745
64.224
64.869
66.173
66.263
65.066
67.199
68.482
69.388
70.286
69.052
70.292
69.273

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

16.42
18.03
16.98
20.05
16.86
22.58
24.65
23.46
22.00
22.64
23.78
20.74
28.06
39.07
46.42
50.13
56.42
21.29
20.29
20.59
18.61
21.83
17.80
10.85
16.38
19.48
25.21
32.87
34.16
21.92
21.52
20.52
20.61
39.91
45.05
48.73
50.13
46.74
52.94
58.77
66.61
70.23
53.31
74.42
80.60
79.53
80.88
85.64
91.21
88.56

21.067
1.761
6.476
-21.689
3.432
16.471
9.512
12.902
8.262

52.257
90.635
82.274
71.478
82.455
62.295
55.568
45.289
50.449

53.248
54.822
64.815
47.291
31.812
88.256
34.834
58.958
37.133

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

12.47
19.99
35.12
44.96
25.78
44.53
47.27
42.28
14.74

1ACL4202
1ACL4203
1ACL4204
1ACL4205
1ACL4206
1ACL4207
1ACL4208
1ACL4209
1ACL4210
1ACL4211
1ACL4212
1ACL4213
1ACL4214
1ACL4215
1ACL4216
1ACL4217
1ACL4218
1ACL4219
1ACL4220
1ACL4221
1ACL4222
1ACL4223
1ACL4224
1ACL4225
1ACL4226
1ACL4227
1ACL4228
1ACL4229
1ACL4230
1ACL4231
1ACL4232
1ACL4233
1ACL4234
1ACL4235
1ACL4236
1ACL4237
1ACL4238
1ACL4239
1ACL4240
1ACL4241
1ACL4242
1ACL4243
1ACL4244
1ACL4245
1ACL4246
1ACL4247
1ACL4248
1ACL4249
1ACL4250
1ACL4251
1ACL4252
1ACL4253
1ACL4254
1ACL4255
1ACL4256
1ACL4257
1ACL4258
1ACL4259
1ACL4260
1ACL4261

HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM

4121
4122
4123
4124
4125
4126
4127
4128
4129
4130
4131
4132
4133
4134
4135
4136
4137
4138
4139
4140
4141
4142
4143
4144
4145
4146
4147
4148
4149
4150
4151
4152
4153
4154
4155
4156
4157
4158
4159
4160
4161
4162
4163
4164
4165
4166
4167
4168
4169
4170
4171
4172
4173
4174
4175
4176
4177
4178
4179
4180

O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
N1
C2
C3

HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
HOH
DME
DME
DME

610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
658
659
660
661
662
663
664
665
666
667
999
999
999

-13.764
0.704
4.748
23.071
6.859
1.377
-6.294
-8.203
-9.731
-5.971
-13.696
-11.073
0.732
-6.881
-14.898
5.147
-3.402
-11.827
-1.054
3.670
-3.952
-7.607
9.292
2.202
0.361
15.704
-5.437
3.014
20.965
2.763
0.583
23.306
0.229
-3.812
-15.363
11.146
-16.815
-18.023
11.506
6.894
9.561
-1.977
24.328
31.360
13.108
-4.246
7.789
-18.505
5.304
-2.635
8.735
-19.975
23.803
-8.425
20.844
17.487
24.037
0.354
1.174
1.939

63.179
48.575
60.005
54.841
79.222
74.593
52.471
80.437
51.332
65.792
81.636
79.591
70.224
56.410
60.402
48.676
94.237
86.427
51.470
81.475
86.567
69.273
47.211
41.184
68.134
69.529
57.636
46.517
49.478
47.105
69.827
51.805
66.634
47.374
83.759
50.613
68.906
86.360
48.880
79.505
72.900
58.040
68.776
64.899
49.535
57.621
47.192
66.902
44.411
78.754
95.735
87.744
65.760
54.161
55.705
93.337
59.638
62.248
62.295
63.625

57.234
76.054
69.755
54.102
64.019
30.111
40.319
32.600
46.394
32.287
32.467
32.264
67.986
41.061
57.497
56.957
47.907
31.832
42.427
63.602
54.413
57.659
62.884
61.466
64.457
86.298
38.139
61.090
53.904
77.579
61.878
54.667
69.810
74.299
31.325
36.567
49.354
49.864
60.774
79.119
32.550
63.312
85.614
43.594
54.882
65.309
54.007
60.807
74.244
62.421
46.681
51.650
85.744
42.309
34.923
62.310
34.762
71.567
70.340
70.294

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

13.98
35.75
38.77
39.41
27.97
51.37
56.54
45.67
44.41
31.66
30.94
23.71
47.91
48.89
36.01
43.77
17.94
77.45
32.43
37.34
35.88
21.24
36.33
30.87
56.67
74.25
55.17
50.97
28.08
33.43
26.73
42.55
46.61
48.68
71.22
31.18
33.34
38.72
34.58
67.46
49.61
47.41
61.64
51.08
44.46
26.07
29.57
58.05
43.80
46.95
61.75
66.53
36.68
57.16
44.15
50.48
48.95
21.86
20.34
19.23

1ACL4262
1ACL4263
1ACL4264
1ACL4265
1ACL4266
1ACL4267
1ACL4268
1ACL4269
1ACL4270
1ACL4271
1ACL4272
1ACL4273
1ACL4274
1ACL4275
1ACL4276
1ACL4277
1ACL4278
1ACL4279
1ACL4280
1ACL4281
1ACL4282
1ACL4283
1ACL4284
1ACL4285
1ACL4286
1ACL4287
1ACL4288
1ACL4289
1ACL4290
1ACL4291
1ACL4292
1ACL4293
1ACL4294
1ACL4295
1ACL4296
1ACL4297
1ACL4298
1ACL4299
1ACL4300
1ACL4301
1ACL4302
1ACL4303
1ACL4304
1ACL4305
1ACL4306
1ACL4307
1ACL4308
1ACL4309
1ACL4310
1ACL4311
1ACL4312
1ACL4313
1ACL4314
1ACL4315
1ACL4316
1ACL4317
1ACL4318
2 1ACL4319
2 1ACL4320
2 1ACL4321

HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
HETATM
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
CONECT
MASTER
END

4181
4182
4183
4184
4185
4186
4187
4188
4189
4190
4191
4192
4193
4194
4195
477
694
1918
1999
3056
3996
4178
4179
4180
4181
4182
4183
4184
4185
4186
4187
4188
4189
4190
4191
4192
4193
4194
4195

C4
C5
C6
C7
C8
C9
C10
C11
N12
C13
C14
C15
C16
C17
C18
476
477
1917
1918
3055
3056
4179
4178
4179
4180
4181
4182
4183
4184
4185
4186
4187
4188
4178
4178
4178
4189
4189
4189
39

DME
DME
DME
DME
DME
DME
DME
DME
DME
DME
DME
DME
DME
DME
DME
694
693
1999
1998
3996
3995
4190
4180
4181
4182
4183
4184
4185
4186
4187
4188
4189
4193

999
999
999
999
999
999
999
999
999
999
999
999
999
999
999

3.211
3.767
5.009
4.749
4.339
3.711
4.292
3.840
4.766
-0.382
-0.683
1.203
5.964
4.072
5.167

63.724
65.143
65.507
66.485
67.920
68.650
68.241
69.056
68.964
63.521
61.201
61.900
69.816
69.378
67.571

69.452
69.695
68.892
67.771
68.136
66.914
65.534
64.293
63.115
71.796
71.454
72.734
63.326
61.885
62.883

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

19.57
20.97
14.60
20.98
12.44
20.29
22.74
26.94
25.24
24.30
24.41
25.02
18.56
19.07
28.44

4191 4192

4194 4195

15

14

6 4194

24

2
2
2
2
2
2
2
2
2
2
2
2
2
2
2

1ACL4322
1ACL4323
1ACL4324
1ACL4325
1ACL4326
1ACL4327
1ACL4328
1ACL4329
1ACL4330
1ACL4331
1ACL4332
1ACL4333
1ACL4334
1ACL4335
1ACL4336
1ACL4337
1ACL4338
1ACL4339
1ACL4340
1ACL4341
1ACL4342
1ACL4343
1ACL4344
1ACL4345
1ACL4346
1ACL4347
1ACL4348
1ACL4349
1ACL4350
1ACL4351
1ACL4352
1ACL4353
1ACL4354
1ACL4355
1ACL4356
1ACL4357
1ACL4358
1ACL4359
1ACL4360
42 1ACL4361
1ACL4362