SUPPORTING INFORMATION FOR
G Protein-Coupled Odorant Receptors: from sequence to structure
C.A. de March et al.
PDB and structure of OR1G1 built by homology modeling using rhodopsin as a template (PDB
Id 1U19)
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1
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
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
C
O
N
CA
CB
CG
CD
CE
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
2
2
3
3
3
3
4
4
4
4
4
4
49.739
50.890
51.851
51.243
52.431
52.855
51.651
51.081
52.976
53.791
55.299
55.723
55.587
55.612
55.457
53.543
53.251
53.639
53.462
54.561
54.374
55.763
56.861
58.234
59.419
60.763
61.951
2.646
3.544
3.532
4.098
4.307
2.547
3.108
2.902
2.952
2.579
2.747
4.203
4.930
4.244
6.183
1.141
0.335
0.801
-0.546
-1.355
-2.514
-0.765
-1.470
-0.858
-1.671
-1.256
-2.064
29.912
29.688
30.891
32.176
33.537
33.675
28.484
27.414
28.641
27.529
27.788
27.993
26.663
25.606
26.686
27.215
28.097
25.916
25.464
26.068
26.426
26.171
26.761
26.430
26.957
26.352
26.875
S1
1.00 32.18
1.00 32.18
1.00 32.18
1.00 32.18
1.00 32.18
1.00 32.18
1.00 32.18
1.00 32.18
1.00126.56
1.00126.56
1.00126.56
1.00126.56
1.00126.56
1.00126.56
1.00126.56
1.00126.56
1.00126.56
1.00108.20
1.00108.20
1.00108.20
1.00108.20
1.00 96.51
1.00 96.51
1.00 96.51
1.00 96.51
1.00 96.51
1.00 96.51
N
C
C
C
S
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
NZ
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
LYS
LYS
LYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
4
4
4
5
5
5
5
5
5
5
5
6
6
6
6
6
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
9
9
9
9
9
9
9
9
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
13
13
13
13
13
13
13
14
14
14
14
14
62.198
56.661
55.726
57.521
57.388
58.503
58.330
57.246
59.427
57.470
58.081
56.822
56.809
55.659
55.362
54.779
56.575
58.108
58.148
59.221
60.490
61.656
62.873
61.652
60.524
60.957
60.035
60.001
61.107
62.381
58.692
58.018
58.295
57.056
55.997
55.683
56.432
55.295
57.352
58.508
56.315
56.560
55.816
54.413
56.108
54.933
57.068
56.863
57.150
56.113
56.515
57.563
55.779
57.886
57.723
58.962
59.998
60.507
61.267
61.160
62.307
60.899
61.987
62.278
63.578
64.763
63.619
65.969
64.823
66.000
61.591
60.429
62.559
62.251
63.425
63.936
65.006
-1.737
-1.393
-0.747
-2.084
-2.045
-2.798
-4.287
-4.840
-4.954
-0.608
0.195
-0.236
1.146
1.509
0.475
-0.823
0.222
1.496
2.077
1.181
1.559
1.007
1.324
1.574
3.050
3.701
3.628
5.051
5.614
5.384
5.396
4.544
6.674
7.138
7.398
6.066
8.521
9.053
8.436
8.848
9.096
10.335
10.455
10.449
11.469
11.593
12.338
13.513
13.322
12.464
12.391
12.994
11.735
14.466
15.044
14.689
15.543
16.542
15.718
14.680
15.018
13.540
12.703
11.558
10.934
11.530
9.753
10.962
9.179
9.785
12.097
11.755
11.926
11.415
11.528
12.968
13.043
28.296
28.238
28.707
29.011
30.437
31.185
30.915
31.093
30.466
30.817
30.113
31.936
32.300
33.264
34.376
33.794
35.285
32.942
34.025
32.256
32.790
32.011
32.669
30.581
32.752
33.702
31.639
31.501
30.592
31.176
30.874
30.297
30.997
30.448
31.476
32.179
32.429
33.300
29.774
29.699
29.217
28.538
27.198
27.419
29.400
29.740
29.758
30.551
32.051
32.779
34.246
34.603
35.030
30.037
28.965
30.816
30.322
31.373
32.805
29.935
30.223
29.260
28.843
29.831
29.456
29.824
28.754
29.489
28.415
28.781
27.531
27.325
26.609
25.301
24.313
24.126
23.026
S2
1.00 96.51
1.00 96.51
1.00 96.51
1.00155.44
1.00155.44
1.00155.44
1.00155.44
1.00155.44
1.00155.44
1.00155.44
1.00155.44
1.00170.02
1.00170.02
1.00170.02
1.00170.02
1.00170.02
1.00170.02
1.00170.02
1.00170.02
1.00109.45
1.00109.45
1.00109.45
1.00109.45
1.00109.45
1.00109.45
1.00109.45
1.00194.29
1.00194.29
1.00194.29
1.00194.29
1.00194.29
1.00194.29
1.00297.21
1.00297.21
1.00297.21
1.00297.21
1.00297.21
1.00297.21
1.00297.21
1.00297.21
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00175.19
1.00175.19
1.00175.19
1.00175.19
1.00175.19
1.00175.19
1.00175.19
1.00175.19
1.00175.19
1.00121.64
1.00121.64
1.00121.64
1.00121.64
1.00121.64
1.00121.64
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 91.87
1.00 63.74
1.00 63.74
1.00 63.74
1.00 63.74
1.00 63.74
N
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
14
14
14
15
15
15
15
15
15
15
15
16
16
16
16
17
17
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
19
19
19
19
19
19
19
19
19
20
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
22
23
23
23
23
23
23
23
23
23
24
62.780
61.920
62.408
61.045
60.706
59.195
58.567
57.064
58.868
61.408
60.801
62.741
63.604
63.503
63.781
63.153
63.112
62.786
61.436
60.309
61.299
59.063
60.055
58.933
62.104
62.337
60.953
59.930
58.656
58.079
60.399
60.244
60.993
61.361
60.385
60.327
59.051
58.138
58.963
62.626
63.156
63.124
64.302
64.778
65.166
66.475
66.597
67.491
63.934
62.780
64.917
64.678
65.909
67.117
68.287
67.533
64.286
63.409
64.917
64.622
65.410
66.799
67.623
68.303
67.586
63.175
62.549
62.587
61.226
60.756
61.651
61.314
60.437
61.934
60.321
59.453
60.536
13.958
9.966
9.290
9.447
8.052
7.778
8.151
7.837
9.605
7.327
6.605
7.460
6.846
5.373
4.588
4.948
3.540
3.163
3.661
2.930
4.852
3.384
5.311
4.577
2.922
1.839
3.589
3.021
3.882
3.956
2.862
1.791
3.922
3.854
4.588
6.087
6.613
5.776
7.844
4.602
5.275
4.508
5.220
4.879
3.411
3.178
3.473
2.641
6.670
7.029
7.542
8.953
9.766
9.711
10.548
8.267
9.412
10.263
8.832
9.238
8.461
9.032
9.088
8.078
10.157
9.021
9.887
7.915
7.554
6.351
5.114
4.347
4.818
3.270
8.677
9.077
9.255
23.911
25.433
26.337
24.541
24.633
24.505
23.148
23.137
22.752
23.532
22.743
23.516
22.550
22.744
21.842
23.965
24.200
25.663
26.052
25.757
26.728
26.120
27.094
26.790
23.279
22.746
23.066
22.236
22.194
23.489
20.824
20.237
20.240
18.852
17.937
18.235
17.609
17.388
17.353
18.619
19.498
17.373
16.992
15.571
15.393
16.132
17.320
15.406
17.001
16.775
17.288
17.344
17.797
16.840
17.379
16.513
15.980
15.820
14.949
13.613
12.540
12.235
13.511
13.834
14.176
13.358
12.769
13.849
13.542
14.379
14.275
13.009
12.236
12.802
13.923
13.148
15.114
S3
1.00 63.74
1.00 63.74
1.00 63.74
1.00206.37
1.00206.37
1.00206.37
1.00206.37
1.00206.37
1.00206.37
1.00206.37
1.00206.37
1.00111.49
1.00111.49
1.00111.49
1.00111.49
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00134.84
1.00105.76
1.00105.76
1.00105.76
1.00105.76
1.00105.76
1.00105.76
1.00127.22
1.00127.22
1.00127.22
1.00127.22
1.00127.22
1.00127.22
1.00127.22
1.00127.22
1.00127.22
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00143.22
1.00143.22
1.00143.22
1.00143.22
1.00143.22
1.00143.22
1.00143.22
1.00143.22
1.00143.22
1.00104.54
1.00104.54
1.00104.54
1.00104.54
1.00104.54
1.00104.54
1.00104.54
1.00104.54
1.00104.54
1.00103.15
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
O
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
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
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
24
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
25
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
28
28
28
28
28
28
28
28
28
28
28
29
29
29
29
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
31
31
32
32
32
32
32
32
32
32
33
33
33
33
33
59.661
60.014
58.925
59.179
60.143
58.283
59.725
58.755
60.873
61.009
62.370
62.730
61.747
62.137
61.167
59.922
59.299
59.637
58.518
60.699
58.609
60.124
57.200
56.299
57.048
55.801
55.866
54.516
54.722
53.539
55.694
54.648
56.840
57.008
58.466
58.630
58.917
58.502
59.075
58.661
58.948
56.730
55.959
57.354
57.199
55.760
55.175
55.145
53.786
53.255
53.981
52.913
52.157
53.027
52.173
52.282
51.359
51.700
50.136
50.840
49.269
49.621
52.420
51.494
53.680
53.978
55.485
55.921
55.471
55.490
53.221
52.593
53.233
52.592
52.818
54.208
55.275
10.282
10.807
11.705
11.800
11.232
12.517
11.391
12.119
11.543
12.594
12.569
13.881
14.312
15.630
15.965
12.451
13.458
11.297
11.255
10.476
9.935
9.744
11.528
11.992
11.246
11.538
11.164
11.073
11.004
12.166
13.027
13.581
13.695
15.121
15.509
16.985
17.576
17.775
18.938
19.137
19.722
15.619
16.556
14.981
15.432
15.290
16.173
14.169
13.911
12.591
11.492
15.008
15.621
15.319
16.319
16.465
15.443
14.113
15.824
13.178
14.895
13.567
17.639
18.430
17.928
19.199
19.357
20.717
20.906
21.876
19.337
20.367
18.294
18.386
17.155
17.236
16.771
15.584
16.984
17.575
19.072
19.582
19.802
14.590
14.404
13.907
12.942
12.222
11.523
10.434
9.761
8.695
11.909
11.586
11.351
10.458
10.800
9.706
9.577
11.093
10.397
12.393
13.030
14.524
15.258
16.779
14.823
12.909
12.573
13.144
13.123
13.428
13.340
12.131
14.457
12.037
14.367
13.158
11.747
11.554
10.744
9.399
9.043
8.421
9.454
9.086
9.669
9.139
9.607
8.855
10.910
11.479
13.005
13.575
13.606
14.077
14.133
14.605
14.634
10.832
10.664
10.467
9.875
9.584
8.992
7.533
9.904
8.586
8.342
7.734
6.450
5.553
5.021
5.752
S4
1.00103.15
1.00103.15
1.00103.15
1.00103.15
1.00103.15
1.00103.15
1.00103.15
1.00103.15
1.00127.20
1.00127.20
1.00127.20
1.00127.20
1.00127.20
1.00127.20
1.00127.20
1.00127.20
1.00127.20
1.00142.92
1.00142.92
1.00142.92
1.00142.92
1.00142.92
1.00142.92
1.00142.92
1.00110.58
1.00110.58
1.00110.58
1.00110.58
1.00110.58
1.00110.58
1.00110.58
1.00110.58
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00151.29
1.00 20.12
1.00 20.12
1.00 20.12
1.00 20.12
1.00 83.30
1.00 83.30
1.00 83.30
1.00 83.30
1.00 83.30
1.00 83.30
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 68.55
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 39.47
1.00 39.47
1.00 39.47
1.00 39.47
1.00 39.47
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
33
33
33
33
33
33
34
34
34
34
34
34
34
34
35
35
35
35
35
35
35
35
35
35
35
35
36
36
36
36
36
36
36
36
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
41
41
41
41
42
42
42
42
42
42
42
42
43
43
43
43
43
54.446
56.556
55.724
56.783
51.119
50.514
50.497
49.075
48.486
48.417
47.284
47.949
48.687
47.649
49.511
49.235
50.344
50.064
50.517
49.355
50.265
49.099
49.555
49.295
49.220
48.354
50.188
50.295
51.530
51.777
50.740
51.907
49.065
48.508
48.630
47.494
47.383
46.091
48.660
46.199
45.344
46.035
44.804
44.880
43.620
45.945
44.430
43.253
45.406
45.065
46.258
45.814
46.882
44.458
43.356
45.150
44.695
45.682
43.384
42.463
43.255
42.068
40.879
39.811
41.022
39.920
40.211
40.215
39.322
41.251
39.562
38.386
40.574
40.319
41.614
41.417
40.925
17.783
16.848
17.863
17.396
18.570
19.381
17.825
17.914
16.865
15.490
15.442
13.918
19.289
19.805
19.923
21.251
21.746
23.143
24.208
23.392
25.500
24.682
25.738
27.063
22.166
23.030
21.990
22.872
22.549
23.490
23.307
24.949
22.750
23.760
21.508
21.261
19.821
19.639
19.429
21.630
22.274
21.237
21.382
20.747
20.802
21.492
22.817
23.163
23.695
25.063
25.880
27.340
25.248
25.726
26.267
25.679
26.396
26.304
25.862
26.624
24.526
23.942
24.275
24.586
24.183
24.433
24.030
22.511
21.849
21.939
25.885
26.239
26.770
28.181
29.003
30.523
31.236
3.781
5.260
3.281
4.021
6.615
5.916
7.546
7.699
8.655
7.985
6.559
5.827
8.138
7.731
8.987
9.455
10.403
10.840
10.096
11.991
10.492
12.394
11.644
12.055
8.272
8.150
7.355
6.230
5.360
4.157
3.034
4.618
5.384
4.960
5.091
4.243
3.837
3.022
3.074
4.904
4.298
6.180
6.903
8.257
8.907
9.071
7.091
7.015
7.378
7.647
8.047
8.235
9.302
6.444
6.518
5.289
4.129
2.952
3.648
3.357
3.572
3.021
3.863
3.339
5.197
6.082
7.537
7.608
7.082
8.277
6.083
6.126
6.075
6.130
6.304
6.505
5.233
S5
1.00 39.47
1.00 39.47
1.00 39.47
1.00 39.47
1.00 39.47
1.00 39.47
1.00105.69
1.00105.69
1.00105.69
1.00105.69
1.00105.69
1.00105.69
1.00105.69
1.00105.69
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 94.24
1.00 99.30
1.00 99.30
1.00 99.30
1.00 99.30
1.00 99.30
1.00 99.30
1.00 99.30
1.00 99.30
1.00 38.63
1.00 38.63
1.00 38.63
1.00 38.63
1.00 38.63
1.00 38.63
1.00 38.63
1.00112.81
1.00112.81
1.00112.81
1.00112.81
1.00112.81
1.00112.81
1.00112.81
1.00 40.88
1.00 40.88
1.00 40.88
1.00 40.88
1.00 40.88
1.00 40.88
1.00 40.88
1.00 34.03
1.00 34.03
1.00 34.03
1.00 34.03
1.00 34.03
1.00 28.38
1.00 28.38
1.00 28.38
1.00 28.38
1.00 47.12
1.00 47.12
1.00 47.12
1.00 47.12
1.00 47.12
1.00 47.12
1.00 47.12
1.00 47.12
1.00 94.50
1.00 94.50
1.00 94.50
1.00 94.50
1.00 94.50
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
43
43
43
44
44
44
44
44
44
44
44
45
45
45
45
45
45
45
45
46
46
46
46
46
46
46
46
47
47
47
47
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
51
51
51
51
51
51
51
52
52
52
52
52
52
52
52
53
53
53
53
40.524
39.646
38.704
40.112
39.575
40.301
40.002
40.801
38.505
38.130
37.274
37.818
36.469
36.343
37.089
36.833
36.708
35.602
34.484
36.088
35.282
35.861
37.048
34.783
34.204
35.075
33.972
36.128
36.011
37.356
37.337
36.604
36.800
35.000
34.156
35.046
34.149
34.407
33.293
35.818
32.730
31.863
32.445
31.072
30.860
31.597
29.355
29.039
30.504
29.372
31.263
30.737
31.641
31.777
32.987
33.830
30.516
29.461
31.497
31.425
32.641
32.584
32.723
30.217
29.506
29.934
28.793
28.964
29.409
29.405
29.785
27.562
27.307
26.732
25.564
24.839
23.814
30.800
28.613
29.403
28.101
28.545
27.890
28.477
27.725
28.530
28.157
28.957
26.919
26.448
24.982
24.205
24.659
23.176
27.294
27.637
27.666
28.470
28.624
29.595
29.061
30.450
29.826
30.368
30.414
31.743
32.270
33.713
33.828
34.695
31.761
32.653
30.771
30.793
29.689
29.705
29.897
30.683
31.408
29.801
29.618
28.585
29.014
28.374
27.255
30.903
31.258
31.636
32.850
33.462
32.464
33.874
34.766
33.870
34.500
34.036
35.080
35.134
36.277
33.850
34.905
35.872
33.672
33.495
32.352
31.062
31.001
30.116
33.338
32.306
34.396
34.505
35.802
35.946
7.725
4.863
4.886
3.713
2.461
1.264
-0.136
-1.212
-0.470
2.420
2.044
2.840
2.779
3.103
2.008
4.518
4.866
3.656
3.276
4.856
5.726
7.113
7.053
8.121
7.864
5.108
5.135
4.509
3.975
3.429
2.876
1.528
3.929
2.868
2.811
1.959
0.839
-0.140
-1.203
-0.719
1.303
0.817
2.279
2.660
3.729
5.005
3.940
4.926
3.173
2.846
4.005
4.562
5.595
6.757
4.975
5.885
3.487
3.427
2.579
1.597
0.714
-0.127
-0.128
0.731
0.463
0.273
-0.578
-1.607
-0.929
0.327
-1.672
0.264
0.882
0.257
1.080
0.880
1.853
S6
1.00 94.50
1.00 94.50
1.00 94.50
1.00 91.64
1.00 91.64
1.00 91.64
1.00 91.64
1.00 91.64
1.00 91.64
1.00 91.64
1.00 91.64
1.00103.41
1.00103.41
1.00103.41
1.00103.41
1.00103.41
1.00103.41
1.00103.41
1.00103.41
1.00129.03
1.00129.03
1.00129.03
1.00129.03
1.00129.03
1.00129.03
1.00129.03
1.00129.03
1.00 75.50
1.00 75.50
1.00 75.50
1.00 75.50
1.00 75.50
1.00 75.50
1.00 75.50
1.00 75.50
1.00 41.06
1.00 41.06
1.00 41.06
1.00 41.06
1.00 41.06
1.00 41.06
1.00 41.06
1.00 90.73
1.00 90.73
1.00 90.73
1.00 90.73
1.00 90.73
1.00 90.73
1.00 90.73
1.00 90.73
1.00 85.39
1.00 85.39
1.00 85.39
1.00 85.39
1.00 85.39
1.00 85.39
1.00 85.39
1.00 85.39
1.00100.54
1.00100.54
1.00100.54
1.00100.54
1.00100.54
1.00100.54
1.00100.54
1.00 99.80
1.00 99.80
1.00 99.80
1.00 99.80
1.00 99.80
1.00 99.80
1.00 99.80
1.00 99.80
1.00107.51
1.00107.51
1.00107.51
1.00107.51
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
53
53
53
54
54
54
54
54
54
54
54
54
55
55
55
55
55
55
55
55
56
56
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
60
60
60
60
60
60
60
60
60
60
60
60
61
61
61
61
61
61
61
61
61
61
61
62
62
24.238
24.611
23.872
24.579
23.653
23.641
24.964
24.790
25.737
23.542
23.917
22.973
25.189
25.393
26.841
27.209
27.128
28.561
25.004
25.839
23.703
23.250
22.964
23.408
22.509
25.169
24.757
24.057
22.285
21.217
22.626
21.716
21.687
22.883
21.507
22.199
23.206
21.520
21.989
20.084
20.905
19.617
23.345
24.183
23.597
24.876
24.943
24.075
24.174
25.853
25.930
27.035
25.618
26.624
26.177
25.931
26.953
24.670
26.703
24.411
25.435
25.184
27.014
28.191
26.033
26.343
25.108
24.449
24.835
23.444
24.231
22.836
23.229
27.162
28.178
26.775
27.463
35.817
33.404
32.940
32.990
31.993
31.852
31.370
31.280
31.000
31.527
30.646
29.906
30.261
28.913
28.439
28.282
29.623
27.579
28.785
28.885
28.522
28.386
32.106
30.808
29.631
32.163
30.861
32.875
27.244
27.389
26.062
24.966
23.958
23.195
24.706
24.246
24.635
23.216
22.505
23.089
21.479
22.167
21.951
21.915
21.528
20.968
20.376
19.128
18.371
17.714
22.022
21.758
23.257
24.275
25.632
25.455
25.558
25.175
25.388
25.004
25.112
24.938
24.489
24.688
24.485
24.697
24.833
26.145
27.258
26.264
28.473
27.478
28.585
23.570
23.816
22.302
21.205
-0.536
0.750
1.616
-0.525
-0.985
-2.517
-3.110
-4.620
-5.353
-5.102
-0.390
-0.120
-0.163
0.289
0.105
-1.382
-2.125
-1.556
1.727
2.625
1.978
3.329
4.203
4.088
3.848
4.481
4.262
4.438
3.427
4.017
2.879
3.045
1.928
1.906
0.596
4.256
4.844
4.668
5.814
4.490
6.131
5.633
5.523
6.419
4.274
3.947
2.528
2.346
0.695
0.925
4.049
4.521
3.614
3.645
3.070
1.611
0.699
1.151
-0.644
-0.186
-1.089
-2.465
5.069
5.358
5.995
7.381
8.282
8.035
8.746
7.103
8.530
6.884
7.597
7.940
8.587
7.678
8.311
S7
1.00107.51
1.00107.51
1.00107.51
1.00102.90
1.00102.90
1.00102.90
1.00102.90
1.00102.90
1.00102.90
1.00102.90
1.00102.90
1.00102.90
1.00132.51
1.00132.51
1.00132.51
1.00132.51
1.00132.51
1.00132.51
1.00132.51
1.00132.51
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00157.93
1.00 63.03
1.00 63.03
1.00 63.03
1.00 63.03
1.00 63.03
1.00 63.03
1.00 63.03
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 67.96
1.00 67.96
1.00 67.96
1.00 67.96
1.00 67.96
1.00 67.96
1.00 67.96
1.00 67.96
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00 63.31
1.00107.87
1.00107.87
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
C
O
N
CA
CB
SG
C
O
N
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
PHE
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
63
64
64
64
64
64
65
65
65
65
65
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
69
69
69
69
69
70
70
70
70
70
70
70
70
71
71
71
71
71
72
72
72
72
72
72
73
26.992
25.543
25.062
24.657
23.720
23.314
22.845
28.905
29.778
29.194
30.556
30.732
30.447
31.423
28.978
31.266
32.465
30.567
31.225
30.309
31.640
32.755
30.747
30.990
29.819
30.129
30.460
30.019
32.204
33.084
32.287
33.336
33.008
33.766
33.625
33.236
34.637
35.661
34.622
35.799
35.479
34.742
36.324
37.529
35.426
35.849
34.720
34.330
33.823
33.339
36.415
37.446
35.764
36.242
35.391
37.621
38.516
37.840
39.110
39.131
38.256
38.523
37.323
40.161
41.296
39.818
40.754
40.168
41.147
42.307
40.175
40.511
39.311
38.092
41.471
42.456
41.247
19.793
19.641
19.830
19.345
19.701
19.214
19.391
21.252
21.043
21.500
21.547
21.622
20.286
19.195
19.868
22.712
22.638
23.843
24.973
26.203
24.585
24.871
23.882
23.487
22.663
22.285
23.138
20.967
22.620
22.774
21.699
20.735
19.722
18.398
17.788
17.432
21.455
21.080
22.528
23.294
24.475
24.024
23.898
23.889
24.460
25.075
25.802
27.162
27.023
27.911
24.036
24.254
22.862
21.838
20.558
21.484
21.351
21.372
20.974
20.997
19.895
18.702
20.234
21.966
21.593
23.267
24.308
25.717
24.184
24.381
23.865
23.739
23.383
24.726
22.620
22.681
21.539
7.904
8.206
9.481
7.197
9.746
7.454
8.733
7.932
8.772
6.643
6.199
4.673
3.965
4.431
4.088
6.805
7.061
7.006
7.594
7.711
8.976
9.407
9.695
11.051
11.622
13.063
13.884
13.381
11.078
11.923
10.113
10.049
8.944
9.037
10.442
7.965
9.825
10.391
9.009
8.694
7.763
6.637
9.961
10.206
10.794
12.021
12.775
12.163
10.722
13.068
12.929
13.563
13.005
13.882
13.822
13.435
14.259
12.113
11.563
10.023
9.450
9.746
8.676
11.954
12.241
11.922
12.240
12.042
13.669
14.028
14.537
15.916
16.811
16.917
16.005
16.724
15.262
S8
1.00107.87
1.00107.87
1.00107.87
1.00107.87
1.00107.87
1.00107.87
1.00107.87
1.00107.87
1.00107.87
1.00112.39
1.00112.39
1.00112.39
1.00112.39
1.00112.39
1.00112.39
1.00112.39
1.00112.39
1.00 27.54
1.00 27.54
1.00 27.54
1.00 27.54
1.00 27.54
1.00 58.29
1.00 58.29
1.00 58.29
1.00 58.29
1.00 58.29
1.00 58.29
1.00 58.29
1.00 58.29
1.00157.94
1.00157.94
1.00157.94
1.00157.94
1.00157.94
1.00157.94
1.00157.94
1.00157.94
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 87.82
1.00 87.82
1.00 87.82
1.00 87.82
1.00 87.82
1.00 87.82
1.00 87.82
1.00 87.82
1.00 45.82
1.00 45.82
1.00 45.82
1.00 45.82
1.00 45.82
1.00 65.54
1.00 65.54
1.00 65.54
1.00 65.54
1.00 65.54
1.00 65.54
1.00 65.54
1.00 65.54
1.00 33.98
1.00 33.98
1.00 33.98
1.00 33.98
1.00 33.98
1.00 50.20
1.00 50.20
1.00 50.20
1.00 50.20
1.00 50.20
1.00 50.20
1.00165.42
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
S
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
73
73
73
73
73
73
73
73
73
73
74
74
74
74
74
74
74
75
75
75
75
75
75
76
76
76
76
76
76
76
77
77
77
77
77
77
77
78
78
78
78
78
78
78
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
81
82
82
82
82
82
82
82
82
83
42.146
41.531
40.365
40.575
39.065
39.539
38.010
38.244
43.527
44.498
43.676
45.010
45.074
44.268
46.555
45.657
46.771
44.966
45.529
44.675
45.278
45.688
46.762
44.614
44.798
43.599
43.908
42.386
45.509
46.418
45.113
45.814
44.976
45.694
44.622
47.078
48.117
47.016
48.102
47.787
49.034
46.542
49.380
50.412
49.462
50.754
48.456
50.515
49.213
51.362
52.582
50.530
51.012
49.891
50.394
51.543
52.914
53.983
51.599
52.676
50.897
51.340
50.355
50.416
52.052
52.516
52.642
53.569
52.745
53.944
53.765
54.998
56.090
55.515
55.055
56.167
54.774
20.481
19.125
19.340
19.858
19.181
20.107
19.417
19.877
20.776
20.507
21.392
21.688
22.313
23.622
22.504
22.618
22.370
23.715
24.705
25.983
26.922
24.205
24.324
23.708
23.320
23.511
23.096
22.777
22.014
21.987
20.876
19.636
18.406
17.261
18.260
19.444
19.078
19.712
19.443
19.839
19.593
19.062
20.139
19.485
21.395
21.936
22.082
23.344
23.155
21.145
21.000
20.672
19.960
19.621
19.390
18.387
19.064
18.048
18.661
18.269
17.958
16.668
16.027
14.498
13.772
13.702
16.847
16.057
17.904
18.133
19.293
19.629
20.338
18.384
18.452
17.946
19.300
15.544
15.235
16.151
17.404
15.767
18.274
16.616
17.886
15.063
15.767
13.881
13.461
12.098
12.076
11.763
14.449
14.909
14.811
15.684
15.755
16.632
17.083
17.660
17.723
19.087
19.980
21.304
19.433
19.344
20.169
18.728
19.018
18.801
19.225
17.315
18.236
18.786
16.918
16.018
14.605
13.738
14.143
16.397
16.257
16.797
17.097
17.592
17.610
18.396
18.211
18.242
19.158
20.304
21.301
22.729
22.836
22.915
23.019
19.854
20.297
18.946
18.502
17.507
17.415
17.102
18.858
17.784
17.939
16.960
16.208
15.207
14.345
15.156
13.605
17.167
17.028
18.174
S9
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00165.42
1.00112.57
1.00112.57
1.00112.57
1.00112.57
1.00112.57
1.00112.57
1.00112.57
1.00 96.11
1.00 96.11
1.00 96.11
1.00 96.11
1.00 96.11
1.00 96.11
1.00179.20
1.00179.20
1.00179.20
1.00179.20
1.00179.20
1.00179.20
1.00179.20
1.00137.22
1.00137.22
1.00137.22
1.00137.22
1.00137.22
1.00137.22
1.00137.22
1.00 68.17
1.00 68.17
1.00 68.17
1.00 68.17
1.00 68.17
1.00 68.17
1.00 68.17
1.00 91.97
1.00 91.97
1.00 91.97
1.00 91.97
1.00 91.97
1.00 91.97
1.00 91.97
1.00143.07
1.00143.07
1.00143.07
1.00143.07
1.00143.07
1.00143.07
1.00143.07
1.00143.07
1.00143.07
1.00121.92
1.00121.92
1.00121.92
1.00121.92
1.00121.92
1.00121.92
1.00121.92
1.00121.92
1.00103.26
1.00103.26
1.00103.26
1.00103.26
1.00103.26
1.00103.26
1.00103.26
1.00103.26
1.00 32.15
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
ALA
ALA
ALA
ALA
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
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
SER
SER
SER
SER
SER
SER
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
83
83
83
83
84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86
86
86
86
86
86
86
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
88
89
89
89
89
89
89
90
90
90
90
90
90
90
90
90
91
91
91
91
91
92
92
92
92
92
92
92
92
93
93
93
55.772
55.253
56.195
57.375
55.210
55.371
54.020
54.201
55.319
53.058
56.188
56.876
56.048
56.844
56.465
57.540
55.026
54.498
58.275
59.191
58.495
59.822
59.827
61.233
61.104
61.743
60.258
60.629
61.765
60.062
60.758
60.729
59.274
61.500
63.002
60.013
58.811
60.711
60.066
61.067
62.165
62.931
64.158
62.183
58.992
57.922
59.220
58.192
58.724
59.352
57.303
57.525
56.236
55.348
53.948
53.256
51.901
50.868
51.901
55.945
55.991
56.395
57.049
57.434
56.071
56.403
54.816
53.831
52.818
53.562
52.056
50.866
53.205
52.489
53.511
53.119
53.484
19.684
20.716
18.472
18.277
17.625
16.414
15.735
14.642
14.282
14.090
15.477
14.601
15.564
14.743
14.877
14.092
14.425
14.947
15.193
14.380
16.521
17.062
18.593
19.181
20.691
21.309
21.307
16.730
16.271
16.953
16.571
17.613
18.030
17.115
16.976
15.363
15.438
14.235
12.958
11.832
11.741
10.441
10.432
9.306
12.978
12.408
13.649
13.678
13.811
15.073
14.857
15.680
14.945
16.065
15.742
14.614
14.367
14.766
13.689
17.085
16.879
18.227
19.215
20.477
19.619
19.697
19.857
20.103
21.152
22.494
20.784
21.699
18.765
18.273
18.113
16.746
16.197
19.130
20.147
19.897
20.185
20.239
20.990
21.261
22.300
22.664
22.787
20.170
20.684
18.846
17.995
16.571
15.836
16.286
14.949
18.026
18.135
17.921
17.786
17.641
17.497
17.363
16.514
18.234
18.995
18.888
20.191
21.378
22.470
22.747
23.700
23.458
21.804
22.014
22.008
22.115
22.428
21.362
21.540
21.627
21.570
23.156
22.947
24.292
25.292
26.727
26.900
25.072
24.186
25.891
25.824
26.365
25.598
26.238
25.703
27.418
26.737
27.949
26.179
26.989
26.199
28.033
29.215
27.624
28.625
28.236
28.141
26.952
26.667
28.805
27.940
29.940
30.115
31.505
S10
1.00 32.15
1.00 32.15
1.00 32.15
1.00 32.15
1.00 91.63
1.00 91.63
1.00 91.63
1.00 91.63
1.00 91.63
1.00 91.63
1.00 91.63
1.00 91.63
1.00 68.24
1.00 68.24
1.00 68.24
1.00 68.24
1.00 68.24
1.00 68.24
1.00 68.24
1.00 68.24
1.00110.66
1.00110.66
1.00110.66
1.00110.66
1.00110.66
1.00110.66
1.00110.66
1.00110.66
1.00110.66
1.00317.70
1.00317.70
1.00317.70
1.00317.70
1.00317.70
1.00317.70
1.00317.70
1.00317.70
1.00 84.60
1.00 84.60
1.00 84.60
1.00 84.60
1.00 84.60
1.00 84.60
1.00 84.60
1.00 84.60
1.00 84.60
1.00 64.96
1.00 64.96
1.00 64.96
1.00 64.96
1.00 64.96
1.00 64.96
1.00 65.89
1.00 65.89
1.00 65.89
1.00 65.89
1.00 65.89
1.00 65.89
1.00 65.89
1.00 65.89
1.00 65.89
1.00 59.31
1.00 59.31
1.00 59.31
1.00 59.31
1.00 59.31
1.00261.95
1.00261.95
1.00261.95
1.00261.95
1.00261.95
1.00261.95
1.00261.95
1.00261.95
1.00121.43
1.00121.43
1.00121.43
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG
C
O
N
CA
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
93
93
93
94
94
94
94
94
94
94
94
94
94
94
94
95
95
95
95
95
95
96
96
96
96
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
101
101
101
101
101
101
101
101
102
102
102
102
102
102
102
102
102
102
102
102
103
53.066
51.645
51.157
50.891
49.488
48.866
49.448
48.909
50.538
49.441
51.075
50.527
51.076
48.758
47.861
49.131
48.411
49.001
48.913
48.476
47.458
49.683
49.847
49.045
48.484
49.007
48.320
48.559
48.037
46.853
46.150
46.355
44.964
44.698
43.232
42.354
43.119
44.574
43.565
45.390
45.068
46.092
46.154
47.190
44.762
45.078
44.169
46.104
46.205
47.461
47.599
48.815
48.801
49.897
45.023
44.403
44.673
43.599
43.571
42.375
41.109
42.139
42.254
41.486
41.945
40.621
40.500
39.138
38.074
38.929
36.823
37.679
36.622
35.338
40.267
39.202
41.182
14.845
16.557
16.318
16.686
16.403
16.364
15.166
13.918
15.283
12.806
14.173
12.933
11.793
17.402
17.046
18.686
19.714
21.112
21.443
19.455
19.487
19.163
18.967
17.785
17.762
16.753
15.542
14.439
12.830
15.816
15.224
16.714
17.062
18.082
18.529
17.390
19.815
17.723
17.377
18.698
19.434
20.545
21.639
22.718
22.224
18.498
18.501
17.639
16.778
15.900
15.083
14.193
13.044
14.730
15.859
15.694
15.237
14.286
13.515
12.562
13.316
11.724
14.911
14.436
16.019
16.579
17.805
18.398
17.891
19.477
18.448
20.038
19.523
20.094
17.019
16.703
17.753
31.619
29.938
28.835
31.039
31.015
32.420
33.088
32.870
33.922
33.478
34.532
34.310
34.935
30.183
29.418
30.306
29.616
29.860
31.238
28.147
27.456
27.635
26.226
25.804
24.711
26.663
26.349
27.394
26.747
26.267
25.449
27.138
27.199
28.320
28.465
29.013
29.297
25.913
25.300
25.460
24.277
23.974
25.055
24.700
25.344
23.118
22.288
23.045
21.914
21.930
20.648
20.794
20.361
21.419
21.865
20.817
23.006
23.041
24.376
24.561
24.996
23.295
22.805
21.969
23.505
23.468
24.392
24.262
24.971
23.434
24.848
23.308
24.016
23.891
22.090
21.562
21.457
S11
1.00121.43
1.00121.43
1.00121.43
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 97.74
1.00 30.13
1.00 30.13
1.00 30.13
1.00 30.13
1.00 30.13
1.00 30.13
1.00 26.85
1.00 26.85
1.00 26.85
1.00 26.85
1.00 54.23
1.00 54.23
1.00 54.23
1.00 54.23
1.00 54.23
1.00 54.23
1.00131.40
1.00131.40
1.00131.40
1.00131.40
1.00131.40
1.00131.40
1.00131.40
1.00131.40
1.00 43.29
1.00 43.29
1.00 43.29
1.00 43.29
1.00 43.29
1.00 43.29
1.00 43.29
1.00 43.29
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00104.05
1.00147.44
1.00147.44
1.00147.44
1.00147.44
1.00147.44
1.00147.44
1.00147.44
1.00147.44
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 65.59
1.00 91.33
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
O
N
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
103
103
103
103
103
103
103
103
103
103
104
104
104
104
104
104
104
104
104
104
104
105
105
105
105
105
105
105
105
106
106
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
109
109
109
109
109
109
109
109
110
110
110
110
110
110
110
110
111
111
111
111
111
111
40.908
41.983
41.656
40.469
42.518
40.142
42.198
41.009
40.734
39.850
41.549
41.374
42.449
41.825
41.264
41.798
40.684
41.218
40.660
40.033
39.326
39.658
38.411
38.180
39.205
38.722
38.263
37.284
36.316
37.407
36.357
36.751
35.602
36.111
34.816
36.150
35.013
37.255
37.195
38.527
38.125
37.616
38.256
37.231
37.873
37.359
36.440
35.505
36.873
36.332
37.004
38.471
36.847
34.884
34.060
34.552
33.223
33.197
33.988
33.347
34.721
32.329
31.162
32.833
32.025
32.741
33.016
33.632
31.758
31.650
30.534
32.602
32.360
33.604
33.358
34.653
35.255
18.337
19.383
20.393
21.090
20.666
22.028
21.602
22.285
17.284
17.386
16.219
15.232
14.124
12.833
12.007
12.442
10.814
11.247
10.431
14.585
14.304
14.309
13.652
13.376
12.450
11.895
13.548
14.538
14.095
15.835
16.766
18.185
19.208
20.582
19.284
16.751
16.781
16.686
16.695
16.420
16.290
17.379
15.095
17.279
14.992
16.083
15.537
15.694
14.331
13.142
11.892
11.918
11.804
13.059
12.718
13.387
13.300
13.567
12.521
10.826
10.039
14.273
13.972
15.480
16.461
17.795
18.627
19.988
18.759
15.921
16.128
15.232
14.691
14.022
13.432
12.786
12.018
20.191
19.913
20.964
20.895
22.000
21.846
22.955
22.880
19.133
18.284
19.145
18.119
18.131
18.545
17.596
19.863
17.951
20.225
19.270
18.319
17.353
19.587
19.871
21.366
22.015
23.676
24.274
19.459
18.841
19.774
19.509
19.968
20.039
20.505
18.728
18.024
17.553
17.250
15.812
15.099
13.674
13.007
13.004
11.693
11.687
11.030
15.280
14.497
15.676
15.101
15.602
15.141
17.131
15.431
14.584
16.688
17.201
18.714
19.503
19.347
20.236
16.494
16.251
16.170
15.494
15.228
16.488
16.122
17.363
14.161
13.684
13.512
12.213
11.603
10.213
9.739
10.536
S12
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00 91.33
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00 74.84
1.00 74.84
1.00 74.84
1.00 74.84
1.00 74.84
1.00 74.84
1.00 74.84
1.00 74.84
1.00108.82
1.00108.82
1.00108.82
1.00108.82
1.00108.82
1.00108.82
1.00108.82
1.00108.82
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00131.09
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00103.59
1.00103.59
1.00103.59
1.00103.59
1.00103.59
1.00103.59
1.00103.59
1.00103.59
1.00 52.13
1.00 52.13
1.00 52.13
1.00 52.13
1.00 52.13
1.00 52.13
1.00 52.13
1.00 52.13
1.00 81.27
1.00 81.27
1.00 81.27
1.00 81.27
1.00 81.27
1.00 81.27
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
OE2
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
OD1
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
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
ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
111
111
111
112
112
112
112
112
113
113
113
113
113
113
113
113
113
113
113
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
119
120
120
120
120
120
120
120
120
120
120
120
120
121
121
121
121
121
35.058
31.310
30.377
31.421
30.515
30.843
29.112
28.200
28.902
27.584
27.493
27.417
28.538
26.211
28.460
26.125
27.252
27.082
25.891
27.985
27.596
28.807
28.459
27.905
27.542
27.005
26.084
27.549
27.116
28.052
27.814
28.051
28.689
25.715
24.925
25.373
24.057
23.905
23.068
21.997
23.417
22.533
23.121
22.149
23.399
22.274
21.135
23.337
23.215
24.569
24.471
24.104
25.801
22.312
21.474
22.453
21.655
21.910
20.220
19.393
19.887
18.527
18.339
16.955
15.883
16.731
14.609
15.461
14.397
13.092
18.068
17.050
18.842
18.402
19.392
19.378
18.858
13.053
13.628
13.591
12.745
11.636
10.720
12.120
11.658
13.082
13.592
14.467
13.505
12.848
13.256
11.960
12.369
11.719
14.348
14.325
15.046
15.836
16.553
17.559
16.874
18.665
14.902
15.263
13.675
12.691
11.473
10.530
11.254
9.277
12.244
11.986
12.110
11.681
11.526
12.707
12.375
13.995
15.065
16.409
17.463
16.525
14.993
15.119
14.765
14.687
14.418
13.984
12.214
11.654
13.552
13.659
12.423
11.283
10.087
11.672
11.330
12.403
12.799
13.510
14.062
13.270
15.383
13.789
15.908
15.110
15.644
13.752
13.520
14.826
15.820
16.983
17.829
17.333
8.576
12.319
11.518
13.334
13.442
14.634
13.626
12.944
14.540
14.797
16.057
17.194
17.642
17.808
18.689
18.855
19.298
13.614
13.313
12.911
11.780
11.144
10.030
8.770
10.572
10.769
10.039
10.690
9.740
9.726
8.541
7.207
8.664
10.053
9.146
11.350
11.737
13.260
11.290
10.784
11.462
11.108
11.390
10.848
12.899
9.639
9.191
8.850
7.427
6.741
5.274
5.026
5.344
7.099
6.208
7.811
7.479
8.412
7.625
6.781
8.705
8.933
10.285
10.317
10.659
10.003
10.687
10.028
10.370
10.397
7.875
7.225
7.628
6.694
6.514
7.779
8.814
S13
1.00 81.27
1.00 81.27
1.00 81.27
1.00 39.41
1.00 39.41
1.00 39.41
1.00 39.41
1.00 39.41
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00 57.31
1.00151.08
1.00151.08
1.00151.08
1.00151.08
1.00151.08
1.00151.08
1.00151.08
1.00151.08
1.00138.94
1.00138.94
1.00138.94
1.00138.94
1.00138.94
1.00138.94
1.00138.94
1.00138.94
1.00 28.95
1.00 28.95
1.00 28.95
1.00 28.95
1.00 28.95
1.00 29.82
1.00 29.82
1.00 29.82
1.00 29.82
1.00 29.82
1.00 29.82
1.00 29.82
1.00150.09
1.00150.09
1.00150.09
1.00150.09
1.00150.09
1.00150.09
1.00150.09
1.00150.09
1.00 29.58
1.00 29.58
1.00 29.58
1.00 29.58
1.00 29.58
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00150.06
1.00 42.62
1.00 42.62
1.00 42.62
1.00 42.62
1.00 42.62
O
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
OD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
121
121
121
122
122
122
122
122
122
123
123
123
123
123
123
123
123
123
123
123
123
124
124
124
124
124
124
124
125
125
125
125
125
126
126
126
126
126
126
126
126
127
127
127
127
127
127
128
128
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
131
131
131
131
131
19.890
18.265
17.326
19.209
19.190
20.349
20.306
17.917
17.251
17.553
16.378
16.275
15.027
15.000
13.884
13.847
12.729
12.710
11.526
15.160
14.296
15.083
13.896
13.953
15.035
12.549
13.662
12.521
14.722
14.514
15.769
14.119
13.136
14.878
14.618
15.695
15.245
17.039
17.020
13.329
12.423
13.198
12.003
12.111
13.250
10.897
9.763
11.215
10.256
9.738
9.103
9.826
7.555
7.771
8.765
9.046
7.919
9.269
8.213
10.432
8.875
10.019
7.072
5.926
7.345
6.287
6.770
7.293
7.780
6.247
5.677
6.313
4.404
3.755
0.616
1.345
2.345
18.980
15.155
15.410
14.257
13.587
12.594
11.751
12.811
12.786
12.160
11.340
10.673
9.864
8.565
10.404
7.820
9.664
8.369
7.606
12.184
11.876
13.309
14.105
15.292
16.263
15.911
14.595
14.654
15.020
15.501
16.166
14.396
14.522
13.277
12.250
11.205
10.089
11.844
12.517
11.547
11.538
10.968
10.250
9.460
8.054
11.244
10.965
12.447
13.508
16.591
15.372
14.064
17.009
15.646
17.535
13.028
13.151
12.489
11.935
12.851
11.558
12.582
12.883
12.437
14.179
15.108
16.337
15.938
17.150
15.105
15.539
15.459
15.992
16.384
15.135
15.941
16.958
7.727
5.371
4.620
5.063
3.805
3.644
2.036
3.732
2.699
4.852
4.929
6.313
6.397
5.944
6.941
6.031
7.028
6.572
6.661
4.744
3.926
5.473
5.443
6.362
5.867
6.436
4.054
3.607
3.345
2.010
1.420
1.072
0.343
1.064
0.089
0.057
-0.901
-0.330
-1.702
0.365
-0.465
1.571
1.896
3.208
3.027
1.990
1.608
2.500
2.602
1.434
1.331
1.233
1.440
1.336
1.496
3.336
2.859
4.501
5.306
5.295
6.629
6.751
5.527
5.491
5.774
6.050
6.837
8.233
9.042
8.992
4.753
3.703
4.794
3.576
3.415
4.261
3.795
S14
1.00 42.62
1.00 42.62
1.00 42.62
1.00 34.52
1.00 34.52
1.00 34.52
1.00 34.52
1.00 34.52
1.00 34.52
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 55.68
1.00 99.89
1.00 99.89
1.00 99.89
1.00 99.89
1.00 99.89
1.00 99.89
1.00 99.89
1.00 52.81
1.00 52.81
1.00 52.81
1.00 52.81
1.00 52.81
1.00107.89
1.00107.89
1.00107.89
1.00107.89
1.00107.89
1.00107.89
1.00107.89
1.00107.89
1.00 53.32
1.00 53.32
1.00 53.32
1.00 53.32
1.00 53.32
1.00 53.32
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00161.06
1.00161.06
1.00161.06
1.00161.06
1.00161.06
1.00161.06
1.00161.06
1.00 44.21
1.00 44.21
1.00 44.21
1.00 44.21
1.00 44.21
1.00 44.21
1.00 44.21
1.00 44.21
1.00 60.90
1.00 60.90
1.00 60.90
1.00 60.90
1.00 60.90
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
131
131
131
131
131
132
132
132
132
132
132
132
132
132
132
132
132
133
133
133
133
133
133
133
133
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
138
138
138
138
138
138
138
139
139
139
139
140
140
140
140
140
140
140
140
141
141
141
-0.007
0.951
-0.177
4.580
4.991
4.840
5.743
5.130
4.049
2.761
4.317
1.759
3.320
2.038
1.011
6.253
5.502
7.563
8.110
8.259
9.056
6.870
5.964
9.456
10.221
9.770
11.079
11.135
10.329
10.424
10.725
11.842
12.162
12.151
12.913
13.157
13.946
13.839
12.953
14.208
14.858
14.613
15.886
16.515
16.828
17.483
15.885
15.779
15.894
15.567
15.617
14.660
14.780
17.009
17.721
17.447
18.744
17.045
19.123
17.830
18.497
17.336
19.517
19.193
18.864
19.337
18.027
17.706
16.597
15.262
14.146
14.869
18.969
19.373
19.660
20.900
21.589
14.612
15.609
14.360
17.466
17.377
18.533
19.527
20.528
21.341
20.859
22.586
21.606
23.338
22.846
23.615
20.245
20.884
20.109
20.809
19.966
20.773
19.527
20.696
21.288
20.567
22.543
23.021
24.540
25.010
26.533
24.230
22.730
23.620
21.442
21.049
19.567
19.140
19.207
19.442
21.739
22.160
21.870
22.450
21.952
20.455
19.821
19.868
23.933
24.500
24.604
26.032
26.695
28.109
26.346
25.463
27.556
27.911
28.380
29.218
29.681
28.024
28.020
28.024
28.185
26.822
26.414
26.084
24.735
24.155
24.903
24.328
24.957
23.990
23.159
24.321
23.662
24.011
5.484
5.521
4.198
2.976
1.820
3.750
3.269
2.263
2.891
2.949
3.413
3.523
3.988
4.044
4.632
4.466
5.200
4.727
5.841
7.072
8.111
7.565
7.950
5.445
4.807
5.800
5.513
5.286
4.062
3.879
2.800
6.746
7.532
6.935
8.068
8.139
6.891
9.470
10.694
7.880
8.834
6.606
6.358
5.045
5.048
3.475
2.613
6.255
5.171
7.398
7.388
8.393
8.319
7.812
8.287
7.643
8.139
6.518
7.438
6.737
9.598
9.979
10.460
11.845
12.354
13.409
11.599
11.936
11.043
11.235
10.351
12.719
11.727
12.539
10.624
10.394
9.079
S15
1.00 60.90
1.00 60.90
1.00 60.90
1.00 60.90
1.00 60.90
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00205.55
1.00120.33
1.00120.33
1.00120.33
1.00120.33
1.00120.33
1.00120.33
1.00120.33
1.00120.33
1.00 78.87
1.00 78.87
1.00 78.87
1.00 78.87
1.00 78.87
1.00 78.87
1.00 78.87
1.00 78.87
1.00156.90
1.00156.90
1.00156.90
1.00156.90
1.00156.90
1.00156.90
1.00156.90
1.00156.90
1.00106.38
1.00106.38
1.00106.38
1.00106.38
1.00106.38
1.00106.38
1.00106.38
1.00106.38
1.00 95.68
1.00 95.68
1.00 95.68
1.00 95.68
1.00 95.68
1.00 95.68
1.00246.68
1.00246.68
1.00246.68
1.00246.68
1.00246.68
1.00246.68
1.00246.68
1.00200.83
1.00200.83
1.00200.83
1.00200.83
1.00 79.96
1.00 79.96
1.00 79.96
1.00 79.96
1.00 79.96
1.00 79.96
1.00 79.96
1.00 79.96
1.00 87.08
1.00 87.08
1.00 87.08
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
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
1181
1182
SG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
141
141
141
142
142
142
142
142
142
142
142
143
143
143
143
143
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145
145
145
145
145
145
145
146
146
146
146
146
146
147
147
147
147
147
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
151
22.896
21.781
22.669
21.550
22.305
21.955
22.694
22.284
21.720
22.017
22.900
20.757
20.418
18.925
18.169
18.000
17.633
17.309
16.940
16.776
21.192
21.765
21.244
21.962
21.835
20.420
20.096
19.353
23.400
24.057
23.925
25.300
25.724
27.159
25.570
25.505
26.500
24.565
24.733
23.650
22.386
24.684
25.370
23.872
23.716
22.699
25.030
25.411
25.765
27.025
27.690
29.018
27.930
28.557
28.001
28.901
28.898
29.516
30.911
28.933
29.879
31.101
31.948
32.338
33.194
33.385
28.528
29.398
27.224
26.872
25.403
25.047
24.551
23.094
27.258
27.922
26.902
22.789
24.090
23.356
25.320
25.817
27.231
27.591
28.168
29.579
24.919
24.641
24.455
23.577
23.202
24.371
24.518
25.319
25.590
26.394
26.531
22.304
21.821
21.719
20.486
19.871
19.324
18.134
20.424
20.749
19.947
21.901
22.211
23.525
23.823
23.455
22.296
21.797
22.931
23.074
23.943
23.299
21.716
21.460
20.806
19.485
18.639
18.776
18.062
18.966
18.314
18.789
18.305
18.684
17.824
19.979
20.425
21.953
22.710
23.039
23.215
23.841
23.739
22.778
24.193
23.235
23.929
19.831
19.424
19.781
19.282
19.408
20.904
18.562
18.419
17.839
17.443
17.018
8.810
11.513
11.942
12.004
13.113
13.477
14.777
12.301
12.458
14.274
15.083
14.403
15.487
15.555
16.091
17.449
15.252
17.961
15.757
17.114
15.359
16.333
14.150
14.012
12.610
12.329
13.246
12.394
14.324
14.986
13.873
14.129
13.544
14.009
12.016
15.608
16.129
16.331
17.749
18.412
18.352
18.377
19.365
17.807
18.346
17.561
18.285
19.210
17.181
16.990
15.690
15.610
18.123
18.734
18.459
19.482
19.659
18.508
18.428
17.383
16.606
17.237
19.276
16.876
18.910
17.733
20.800
21.567
21.122
22.417
22.725
22.702
21.765
22.205
22.524
23.478
21.519
S16
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
87.08
87.08
87.08
46.56
46.56
46.56
46.56
46.56
46.56
46.56
46.56
90.31
90.31
90.31
90.31
90.31
90.31
90.31
90.31
90.31
90.31
90.31
78.25
78.25
78.25
78.25
78.25
78.25
78.25
78.25
34.20
34.20
34.20
34.20
34.20
34.20
34.20
30.76
30.76
30.76
30.76
30.76
30.76
24.78
24.78
24.78
24.78
24.78
89.53
89.53
89.53
89.53
89.53
89.53
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
53.33
90.16
90.16
90.16
90.16
90.16
90.16
90.16
90.16
58.65
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
151
151
151
151
151
151
151
152
152
152
152
152
152
152
152
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
155
155
155
155
156
156
156
156
156
156
157
157
157
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
160
160
160
27.139
26.601
25.079
24.186
22.532
28.602
29.048
29.392
30.802
31.371
30.641
30.564
30.040
31.450
32.425
30.921
31.431
30.720
31.213
32.074
30.054
29.793
28.435
27.244
27.394
27.014
30.863
31.289
31.288
32.334
33.873
33.761
32.521
35.863
34.984
35.150
33.673
34.380
34.055
35.374
35.642
35.587
35.658
36.749
34.693
34.873
33.643
33.750
32.472
34.053
35.119
35.915
34.482
34.470
33.729
33.688
32.944
33.108
35.861
36.129
36.792
38.102
39.074
39.701
38.996
41.258
41.035
40.050
38.819
39.647
38.561
39.222
38.914
39.843
37.489
38.779
39.545
15.607
14.845
14.906
14.112
14.430
15.335
14.508
16.030
15.811
16.405
15.498
14.292
16.051
16.287
15.696
17.373
17.893
19.184
16.869
16.661
16.182
15.228
14.504
15.249
15.301
16.639
14.187
13.730
13.731
12.751
10.022
11.308
12.148
10.566
11.623
9.627
13.309
12.735
14.443
15.004
16.071
15.489
15.627
15.453
16.372
17.166
18.078
19.167
20.020
18.608
16.329
16.701
15.155
14.393
13.061
12.194
12.920
10.803
14.073
14.169
13.715
13.286
14.980
13.964
12.851
15.310
14.182
15.757
14.387
14.111
15.661
16.751
18.105
19.062
18.524
16.743
17.067
21.608
20.387
20.262
21.632
20.953
21.695
22.488
20.870
20.820
19.539
18.559
18.785
17.477
22.081
22.544
22.670
23.905
24.345
24.976
25.830
24.954
25.992
25.888
26.528
28.057
25.925
25.984
27.042
24.796
24.743
23.744
23.265
23.344
22.912
22.759
23.508
25.128
25.953
24.513
24.637
23.563
22.270
25.973
26.509
26.539
27.729
27.968
29.066
29.086
30.466
28.955
29.813
29.060
30.278
30.089
31.352
32.486
31.053
30.763
31.959
29.862
30.268
27.691
28.374
29.089
27.450
28.218
27.158
30.994
31.861
30.635
31.300
30.719
31.206
31.117
32.727
33.633
S17
1.00 58.65
1.00 58.65
1.00 58.65
1.00 58.65
1.00 58.65
1.00 58.65
1.00 58.65
1.00 68.89
1.00 68.89
1.00 68.89
1.00 68.89
1.00 68.89
1.00 68.89
1.00 68.89
1.00 68.89
1.00 29.50
1.00 29.50
1.00 29.50
1.00 29.50
1.00 29.50
1.00101.29
1.00101.29
1.00101.29
1.00101.29
1.00101.29
1.00101.29
1.00101.29
1.00101.29
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 59.89
1.00 99.44
1.00 99.44
1.00 99.44
1.00 99.44
1.00 99.44
1.00 99.44
1.00108.73
1.00108.73
1.00108.73
1.00108.73
1.00108.73
1.00108.73
1.00108.73
1.00108.73
1.00146.47
1.00146.47
1.00146.47
1.00146.47
1.00146.47
1.00146.47
1.00146.47
1.00146.47
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00119.02
1.00114.03
1.00114.03
1.00114.03
1.00114.03
1.00114.03
1.00114.03
1.00114.03
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
C
O
N
CA
CB
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
161
161
161
161
161
161
161
161
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
167
167
168
168
168
168
168
168
168
168
168
168
168
169
169
169
169
169
169
170
170
170
170
170
171
171
171
37.507
36.944
35.410
34.687
33.161
35.146
37.493
38.563
36.801
37.173
36.337
36.546
37.982
36.122
37.026
37.840
35.985
35.725
34.288
33.261
31.518
31.312
36.703
36.932
37.317
38.328
37.812
37.297
38.053
35.974
39.382
39.384
40.380
41.354
42.380
43.173
42.107
42.043
42.815
43.612
43.798
44.437
43.624
45.927
44.941
45.456
45.521
46.807
46.754
46.169
47.540
46.942
48.881
49.706
51.198
51.507
51.809
51.485
52.087
51.761
52.064
49.470
49.231
49.513
49.226
48.485
47.671
50.525
51.590
50.456
51.595
51.233
52.662
52.418
53.915
55.023
55.836
16.374
16.278
16.159
17.394
17.209
18.681
15.023
14.559
14.501
13.321
13.126
14.233
14.220
15.609
12.068
11.157
11.968
10.713
10.588
10.415
10.528
12.266
10.454
11.296
9.248
8.818
8.428
9.644
10.304
9.934
9.880
10.849
9.688
10.734
10.749
9.572
10.540
9.477
11.598
11.512
12.871
13.998
14.294
13.755
10.967
11.280
10.095
9.560
8.221
8.409
9.334
9.126
9.365
9.176
9.372
8.560
7.221
9.159
6.497
8.442
7.106
7.805
6.856
7.689
6.453
6.626
5.091
5.766
6.316
4.538
3.677
2.262
4.201
4.922
3.865
4.197
5.400
32.946
34.257
34.260
33.696
33.727
34.396
34.849
34.465
35.871
36.594
37.871
38.922
39.467
38.383
35.785
35.922
34.932
34.281
33.747
34.871
34.363
34.849
33.185
32.319
33.223
32.295
30.892
30.138
29.430
30.257
32.196
32.954
31.313
31.206
32.353
32.319
29.934
29.320
29.490
28.306
27.595
28.440
29.709
28.713
28.707
29.780
27.862
28.189
28.940
30.221
26.912
25.857
26.993
25.843
26.154
27.363
27.277
28.602
28.415
29.741
29.647
25.307
26.052
23.968
23.318
21.985
21.470
23.082
23.358
22.542
22.433
21.956
21.539
20.575
21.897
21.064
21.557
S18
1.00151.55
1.00151.55
1.00151.55
1.00151.55
1.00151.55
1.00151.55
1.00151.55
1.00151.55
1.00118.43
1.00118.43
1.00118.43
1.00118.43
1.00118.43
1.00118.43
1.00118.43
1.00118.43
1.00113.88
1.00113.88
1.00113.88
1.00113.88
1.00113.88
1.00113.88
1.00113.88
1.00113.88
1.00159.69
1.00159.69
1.00159.69
1.00159.69
1.00159.69
1.00159.69
1.00159.69
1.00159.69
1.00103.56
1.00103.56
1.00103.56
1.00103.56
1.00103.56
1.00103.56
1.00148.60
1.00148.60
1.00148.60
1.00148.60
1.00148.60
1.00148.60
1.00148.60
1.00148.60
1.00 44.64
1.00 44.64
1.00 44.64
1.00 44.64
1.00 44.64
1.00 44.64
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00106.15
1.00123.71
1.00123.71
1.00123.71
1.00123.71
1.00123.71
1.00123.71
1.00265.18
1.00265.18
1.00265.18
1.00265.18
1.00265.18
1.00235.44
1.00235.44
1.00235.44
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
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
CG
OD1
ND2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
ASN
ASN
ASN
ASN
ASN
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
171
171
171
171
171
172
172
172
172
172
172
172
172
172
172
173
173
173
173
173
173
173
173
173
174
174
174
174
174
174
174
174
175
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
178
178
178
179
179
179
179
179
179
56.725
56.436
57.838
55.940
56.264
56.362
57.297
58.296
57.589
56.648
58.819
57.923
59.014
58.082
58.171
58.614
59.459
59.914
60.849
61.211
60.746
61.957
58.727
59.286
57.450
56.767
55.460
54.784
55.691
56.557
56.487
55.857
56.963
56.884
57.278
57.562
57.302
55.494
54.633
55.273
54.051
50.591
51.624
52.756
50.272
51.413
49.813
53.873
54.341
53.191
52.876
53.793
53.726
54.584
52.824
54.551
52.787
53.652
51.500
51.213
50.600
49.273
48.342
47.121
47.178
45.922
46.065
44.805
44.874
48.702
49.327
47.517
46.845
46.801
48.394
45.431
44.727
5.820
5.507
6.539
3.017
2.481
2.571
1.494
-1.669
-1.053
0.106
-2.737
-1.719
-2.667
1.862
3.043
0.882
1.198
-0.048
-0.965
-2.139
-2.148
-3.039
2.079
3.060
1.778
2.607
2.039
3.101
0.701
0.828
3.922
4.020
4.942
6.287
4.885
7.134
6.352
6.777
6.556
7.437
8.136
8.312
8.486
7.523
10.293
9.699
9.422
8.290
7.472
9.384
9.628
10.683
10.527
9.651
11.234
9.484
11.071
10.198
10.213
11.024
9.829
10.363
9.438
10.194
11.065
10.023
11.769
10.725
11.601
10.500
10.108
11.136
11.197
12.596
13.052
10.780
11.382
20.398
19.245
20.701
21.082
22.141
19.886
19.756
18.739
19.749
19.560
20.617
20.890
19.313
18.542
18.223
17.794
16.679
15.900
16.690
15.792
14.620
16.259
15.711
15.225
15.407
14.458
13.984
13.100
13.262
12.009
15.114
16.164
14.471
14.964
13.054
13.899
12.598
15.202
14.352
16.362
16.644
17.186
16.291
16.094
16.221
15.712
17.103
18.120
18.911
18.518
19.893
20.533
22.011
22.635
22.769
23.998
24.134
24.749
19.844
18.965
20.770
20.650
19.841
19.437
18.374
20.091
17.978
19.698
18.642
22.026
23.008
22.140
23.408
24.034
24.765
23.172
22.363
S19
1.00235.44
1.00235.44
1.00235.44
1.00235.44
1.00235.44
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00222.28
1.00 74.22
1.00 74.22
1.00 74.22
1.00 74.22
1.00 74.22
1.00 74.22
1.00 74.22
1.00 74.22
1.00 74.22
1.00 95.45
1.00 95.45
1.00 95.45
1.00 95.45
1.00 95.45
1.00 95.45
1.00 95.45
1.00 95.45
1.00104.51
1.00104.51
1.00104.51
1.00104.51
1.00104.51
1.00104.51
1.00104.51
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00333.26
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00329.38
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00276.55
1.00 88.34
1.00 88.34
1.00 88.34
1.00 88.34
1.00 88.34
1.00 88.34
C
O
N
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1414
1415
1416
1417
1418
1419
1420
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
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG1
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
181
182
182
182
182
182
182
182
182
183
183
183
183
183
183
183
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
187
187
187
187
187
187
187
187
188
188
188
188
188
188
189
189
189
189
189
189
190
190
190
190
44.978
43.650
43.646
42.256
41.409
42.022
43.026
43.596
41.802
41.042
39.680
38.942
38.895
38.642
41.854
42.856
41.524
42.312
42.616
43.798
43.715
44.940
41.677
40.967
41.881
41.575
41.628
41.372
40.926
42.722
42.602
43.834
45.111
46.225
46.490
45.268
47.774
45.103
44.223
46.071
46.307
47.370
47.772
48.694
46.546
46.824
46.324
47.840
48.474
49.589
50.152
47.454
47.197
46.828
45.815
45.215
46.237
45.583
47.008
44.767
44.241
44.456
43.501
43.897
42.969
42.231
42.081
41.260
40.047
38.811
38.954
40.161
39.443
41.036
41.195
42.134
41.686
9.728
9.226
7.884
7.606
8.539
6.453
8.985
9.317
8.420
7.998
7.473
6.966
8.579
9.805
6.901
6.500
6.431
5.375
5.584
6.523
7.601
6.092
4.010
3.590
3.329
1.925
3.984
1.654
2.981
1.112
-0.110
1.782
1.173
2.203
3.132
4.012
3.951
0.225
0.247
-0.717
-1.699
-2.728
-3.812
-3.261
-4.538
-1.044
-1.295
-0.169
0.381
1.386
1.877
1.098
0.739
2.129
2.780
4.014
5.159
6.453
5.360
1.748
1.587
0.987
-0.049
-1.009
-2.076
0.648
1.837
-0.078
0.590
-0.325
-1.835
1.088
0.628
2.090
2.593
3.761
4.837
23.884
23.680
22.916
22.354
22.378
21.901
25.027
26.065
25.013
26.157
25.774
27.025
25.051
25.927
26.772
26.181
28.001
28.588
30.077
30.161
30.742
29.563
28.508
29.423
27.407
27.311
26.136
25.828
25.235
27.840
27.921
28.196
28.461
28.719
27.519
27.211
27.720
29.613
30.467
29.574
30.595
30.163
31.194
32.294
31.771
31.832
32.928
31.682
32.843
32.522
33.729
33.646
34.793
33.056
33.821
33.131
33.006
32.503
34.320
34.020
35.119
32.957
33.162
34.301
34.410
33.502
33.229
34.077
34.416
34.321
35.327
35.819
36.704
36.049
37.382
37.505
36.695
S20
1.00 99.42
1.00 99.42
1.00 99.42
1.00 99.42
1.00 99.42
1.00 99.42
1.00 99.42
1.00 99.42
1.00138.40
1.00138.40
1.00138.40
1.00138.40
1.00138.40
1.00138.40
1.00138.40
1.00138.40
1.00146.99
1.00146.99
1.00146.99
1.00146.99
1.00146.99
1.00146.99
1.00146.99
1.00146.99
1.00188.67
1.00188.67
1.00188.67
1.00188.67
1.00188.67
1.00188.67
1.00188.67
1.00250.44
1.00250.44
1.00250.44
1.00250.44
1.00250.44
1.00250.44
1.00250.44
1.00250.44
1.00146.85
1.00146.85
1.00146.85
1.00146.85
1.00146.85
1.00146.85
1.00146.85
1.00146.85
1.00 62.99
1.00 62.99
1.00 62.99
1.00 62.99
1.00 62.99
1.00 62.99
1.00 42.38
1.00 42.38
1.00 42.38
1.00 42.38
1.00 42.38
1.00 42.38
1.00 42.38
1.00 42.38
1.00147.55
1.00147.55
1.00147.55
1.00147.55
1.00147.55
1.00147.55
1.00172.67
1.00172.67
1.00172.67
1.00172.67
1.00172.67
1.00172.67
1.00142.96
1.00142.96
1.00142.96
1.00142.96
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
S
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
190
190
190
191
191
191
191
191
191
191
191
192
192
192
192
192
192
192
193
193
193
193
193
193
193
193
193
193
193
194
194
194
194
194
194
194
195
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
200
43.553
39.866
39.305
39.328
38.055
37.468
38.394
39.561
37.938
38.138
37.250
39.073
39.136
40.323
40.336
41.279
39.416
40.366
38.608
38.697
40.032
41.064
41.785
41.316
42.737
42.266
42.979
37.598
37.084
37.210
36.168
34.768
33.822
34.503
36.350
35.485
37.508
37.858
39.289
40.296
39.943
41.595
36.964
36.468
36.709
36.014
35.877
35.361
35.421
35.086
35.800
34.644
34.212
33.923
32.567
31.890
30.395
30.169
29.587
32.535
31.698
33.458
33.424
34.481
34.408
34.261
33.635
32.974
34.558
34.854
35.962
35.468
36.448
37.826
33.624
33.362
32.839
3.335
3.080
4.020
2.442
2.879
2.028
2.010
1.558
2.424
4.324
5.054
4.840
6.263
4.204
6.533
5.363
6.705
6.177
7.642
8.151
7.927
8.840
8.491
10.056
9.335
10.906
10.547
7.516
8.124
6.277
5.493
5.945
5.024
7.356
5.413
5.823
4.869
4.740
4.206
5.242
6.378
4.838
3.765
4.043
2.598
1.547
0.281
-0.929
-2.136
-1.976
-3.234
1.985
1.716
2.687
3.058
3.743
4.084
5.247
2.829
3.991
3.845
4.970
5.946
6.997
7.848
7.792
5.288
5.631
4.314
3.729
2.724
1.470
2.465
1.818
3.079
3.165
2.397
37.107
37.843
37.279
38.901
39.380
40.530
41.734
41.580
42.833
39.769
39.332
40.551
40.709
40.946
41.610
41.277
39.312
38.738
38.771
37.427
36.682
37.257
38.376
36.665
38.898
37.182
38.301
36.627
35.689
37.011
36.393
36.733
36.211
36.182
34.907
34.134
34.479
33.091
32.882
33.360
33.669
33.412
32.386
31.297
33.004
32.319
33.181
32.405
33.331
34.535
32.845
31.915
30.796
32.805
32.517
33.723
33.543
32.563
33.176
31.346
30.457
31.302
30.251
30.365
29.086
31.664
28.930
27.952
28.860
27.587
27.627
28.367
26.195
26.133
27.039
25.841
27.894
S21
1.00142.96
1.00142.96
1.00142.96
1.00127.45
1.00127.45
1.00127.45
1.00127.45
1.00127.45
1.00127.45
1.00127.45
1.00127.45
1.00206.79
1.00206.79
1.00206.79
1.00206.79
1.00206.79
1.00206.79
1.00206.79
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00254.43
1.00193.95
1.00193.95
1.00193.95
1.00193.95
1.00193.95
1.00193.95
1.00193.95
1.00 73.52
1.00 73.52
1.00 73.52
1.00 73.52
1.00 73.52
1.00 73.52
1.00 73.52
1.00 73.52
1.00 88.96
1.00 88.96
1.00 88.96
1.00 88.96
1.00 88.96
1.00 88.96
1.00 88.96
1.00 88.96
1.00 88.96
1.00120.99
1.00120.99
1.00120.99
1.00120.99
1.00120.99
1.00120.99
1.00120.99
1.00120.99
1.00 38.21
1.00 38.21
1.00 38.21
1.00 38.21
1.00 38.21
1.00 38.21
1.00 38.21
1.00 89.75
1.00 89.75
1.00 89.75
1.00 89.75
1.00 89.75
1.00 89.75
1.00 89.75
1.00 89.75
1.00 89.96
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
CB
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
200
200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
201
201
202
202
202
202
202
202
202
203
203
203
203
204
204
204
204
205
205
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
210
210
210
210
210
210
211
211
211
31.630
30.852
31.602
31.380
32.524
32.067
33.215
32.987
30.716
30.066
30.655
29.755
29.855
29.006
29.445
28.004
30.096
29.209
31.397
31.807
33.287
33.704
33.625
31.458
30.931
31.739
31.526
30.080
29.751
29.177
27.781
27.197
26.590
27.374
26.759
26.923
26.211
26.403
24.734
27.354
26.636
28.696
29.256
30.191
30.719
31.317
29.967
31.188
29.210
29.815
28.897
28.471
28.528
27.692
27.412
26.521
27.202
26.064
26.379
25.898
25.778
24.467
23.887
23.774
24.711
23.982
24.471
23.621
25.452
25.447
26.640
26.631
25.538
24.906
26.340
26.532
27.533
1.782
1.003
-0.235
-1.404
-0.234
-2.551
-1.376
-2.539
2.865
2.737
3.977
5.043
6.192
7.347
5.751
5.252
5.572
5.830
5.760
6.304
6.527
7.445
7.060
5.378
5.806
4.073
3.189
3.151
3.230
2.973
2.894
4.215
4.335
5.245
6.523
7.478
6.995
7.985
6.681
7.194
7.703
7.215
7.898
9.014
9.652
8.476
6.931
6.792
6.320
5.402
4.266
4.149
3.402
2.314
1.310
0.131
-0.723
-0.696
2.862
2.531
3.753
4.256
5.097
4.208
6.373
7.410
5.096
4.927
6.005
6.924
7.895
9.055
6.148
6.504
5.069
4.285
3.183
27.421
28.500
28.854
28.163
29.873
28.485
30.202
29.506
26.949
25.912
27.703
27.379
28.337
27.782
29.750
29.838
26.023
25.213
25.744
24.482
24.402
25.402
23.001
23.361
22.336
23.521
22.415
22.045
20.865
23.030
22.701
22.296
21.233
23.146
22.920
24.113
25.388
26.546
25.118
21.732
20.873
21.647
20.530
20.932
19.775
21.831
19.636
19.677
18.706
17.786
17.454
16.308
18.410
17.994
19.126
18.693
17.614
19.907
17.539
16.456
18.350
18.058
19.162
20.407
19.393
20.246
16.821
15.950
16.690
15.590
15.624
14.224
14.317
13.325
14.316
13.130
13.314
S22
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 89.96
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 80.63
1.00 37.48
1.00 37.48
1.00 37.48
1.00 37.48
1.00 37.48
1.00 37.48
1.00 37.48
1.00 41.12
1.00 41.12
1.00 41.12
1.00 41.12
1.00 37.67
1.00 37.67
1.00 37.67
1.00 37.67
1.00162.54
1.00162.54
1.00162.54
1.00162.54
1.00162.54
1.00162.54
1.00162.54
1.00162.54
1.00219.17
1.00219.17
1.00219.17
1.00219.17
1.00219.17
1.00219.17
1.00219.17
1.00 72.13
1.00 72.13
1.00 72.13
1.00 72.13
1.00132.03
1.00132.03
1.00132.03
1.00132.03
1.00132.03
1.00132.03
1.00132.03
1.00132.03
1.00 98.43
1.00 98.43
1.00 98.43
1.00 98.43
1.00 98.43
1.00 98.43
1.00 98.43
1.00 98.43
1.00 74.36
1.00 74.36
1.00 74.36
1.00 74.36
1.00 74.36
1.00 74.36
1.00 29.77
1.00 29.77
1.00 29.77
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1645
1646
1647
1648
1649
1650
1651
1652
1653
1654
1655
1656
1657
1658
1659
1660
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
1721
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
211
211
211
211
212
212
212
212
212
212
212
212
213
213
213
213
213
213
214
214
214
214
214
214
214
214
215
215
215
215
215
215
215
215
216
216
216
216
216
216
216
216
217
217
217
217
217
217
218
218
218
218
218
218
218
218
218
218
218
218
219
219
219
219
219
219
219
220
220
220
220
220
220
220
220
221
221
27.533
28.901
25.242
24.898
24.481
23.271
22.578
23.230
24.700
22.398
22.299
21.649
22.173
21.218
21.197
19.983
21.583
20.736
22.873
23.332
24.835
25.158
26.661
24.315
23.103
22.627
23.436
23.297
23.850
23.504
25.357
25.933
21.851
21.462
21.009
19.618
18.858
18.882
17.445
16.706
19.012
18.240
19.374
18.786
19.332
18.711
19.122
18.353
20.295
20.761
22.162
22.508
22.995
22.341
23.313
22.657
23.143
23.467
19.830
19.505
19.353
18.540
18.059
17.597
16.900
17.338
16.816
16.849
15.704
15.253
14.707
15.462
13.355
16.041
15.266
17.242
17.731
2.311
3.812
3.658
3.685
3.079
2.410
1.656
0.297
0.442
-0.485
3.379
3.071
4.583
5.520
6.841
8.025
5.845
5.833
6.119
6.491
6.806
8.064
8.373
9.247
5.361
5.571
4.127
2.990
1.731
0.565
1.879
0.758
2.742
2.542
2.772
2.469
2.456
3.865
1.892
1.579
3.493
3.165
4.771
5.798
7.199
8.169
5.506
5.816
4.882
4.544
3.912
3.552
4.499
2.261
4.164
1.919
2.872
2.523
3.548
3.639
2.577
1.533
0.519
-0.640
1.117
2.166
1.663
3.268
3.964
5.117
4.516
4.053
4.528
4.559
4.472
5.152
5.824
12.046
13.621
12.704
11.523
13.651
13.267
14.417
14.741
15.154
15.769
12.676
11.679
13.259
12.743
13.532
12.876
11.329
10.438
11.090
9.782
9.782
10.596
10.600
10.101
8.833
7.719
9.249
8.387
8.990
8.049
9.257
10.117
8.103
6.954
9.152
8.988
10.286
10.901
10.071
11.372
8.087
7.190
8.273
7.467
7.795
6.963
6.045
5.136
5.821
4.509
4.525
3.120
2.250
2.673
0.955
1.380
0.518
-0.811
3.901
2.719
4.701
4.151
5.152
4.476
5.967
3.533
2.540
4.132
3.615
4.525
5.812
6.666
5.961
2.281
1.331
2.180
1.012
S23
1.00 29.77
1.00 29.77
1.00 29.77
1.00 29.77
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 60.93
1.00 60.93
1.00 60.93
1.00 60.93
1.00 60.93
1.00 60.93
1.00 40.30
1.00 40.30
1.00 40.30
1.00 40.30
1.00 40.30
1.00 40.30
1.00 40.30
1.00 40.30
1.00 31.03
1.00 31.03
1.00 31.03
1.00 31.03
1.00 31.03
1.00 31.03
1.00 31.03
1.00 31.03
1.00 75.68
1.00 75.68
1.00 75.68
1.00 75.68
1.00 75.68
1.00 75.68
1.00 75.68
1.00 75.68
1.00 64.39
1.00 64.39
1.00 64.39
1.00 64.39
1.00 64.39
1.00 64.39
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00 41.65
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00 47.70
1.00 47.70
1.00 47.70
1.00 47.70
1.00 47.70
1.00 47.70
1.00 47.70
1.00 47.70
1.00 74.05
1.00 74.05
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
OG
C
O
N
CA
VAL
VAL
VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
ALA
ALA
221
221
221
221
221
222
222
222
222
222
222
222
222
222
222
222
223
223
223
223
223
223
224
224
224
224
224
224
224
225
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
230
230
230
230
230
230
231
231
19.079
19.542
18.979
17.865
17.971
17.951
18.118
18.220
18.377
19.611
17.283
19.749
17.416
18.651
16.962
17.164
15.716
14.557
13.255
12.990
14.405
14.082
14.660
14.506
14.381
15.543
13.139
15.712
16.212
16.189
17.306
17.834
16.709
18.392
19.238
18.427
18.806
18.982
20.019
19.693
20.744
20.852
20.475
21.274
21.269
22.396
23.682
24.796
26.174
26.757
28.122
29.081
23.633
24.207
22.940
22.910
22.114
20.642
22.340
23.761
22.302
21.257
22.978
22.492
24.431
23.674
24.897
21.312
21.164
20.457
19.259
18.063
16.912
18.957
19.754
17.781
17.525
6.447
7.114
7.413
4.825
5.199
3.527
2.544
1.115
0.194
-0.017
-0.461
-0.868
-1.314
-1.517
2.556
2.659
2.465
2.393
2.172
3.298
3.676
3.682
4.803
6.101
7.201
7.256
6.935
6.381
5.494
7.645
8.069
9.424
10.448
9.411
10.638
7.095
6.742
6.631
5.643
4.407
3.282
2.705
2.201
6.267
7.390
5.533
5.997
4.961
5.440
6.581
7.056
5.929
6.271
7.254
5.415
5.636
4.611
4.727
4.765
4.414
6.978
7.320
7.761
9.082
7.702
9.860
9.152
9.026
8.056
10.061
10.183
9.436
9.605
11.637
12.460
11.988
13.378
1.234
-0.072
2.426
-0.089
-1.249
0.234
-0.800
-0.241
-1.401
-1.973
-1.919
-3.044
-2.989
-3.555
-1.761
-2.970
-1.253
-2.103
-1.314
-0.490
-2.852
-4.039
-2.168
-2.754
-1.738
-0.923
-0.873
-3.585
-4.276
-3.546
-4.340
-3.971
-4.192
-2.538
-2.203
-4.176
-3.062
-5.313
-5.282
-6.144
-6.076
-4.655
-7.135
-5.805
-6.306
-5.681
-6.109
-5.884
-6.347
-5.514
-6.016
-6.013
-7.573
-8.037
-8.345
-9.759
-10.515
-10.084
-12.028
-12.469
-9.989
-9.437
-10.780
-11.052
-10.815
-11.623
-11.018
-11.962
-12.706
-11.902
-12.672
-12.060
-12.877
-12.594
-13.045
-12.042
-11.827
S24
1.00 74.05
1.00 74.05
1.00 74.05
1.00 74.05
1.00 74.05
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 91.38
1.00 32.11
1.00 32.11
1.00 32.11
1.00 32.11
1.00 32.11
1.00 32.11
1.00123.53
1.00123.53
1.00123.53
1.00123.53
1.00123.53
1.00123.53
1.00123.53
1.00131.35
1.00131.35
1.00131.35
1.00131.35
1.00131.35
1.00131.35
1.00131.35
1.00131.35
1.00136.67
1.00136.67
1.00136.67
1.00136.67
1.00136.67
1.00136.67
1.00136.67
1.00136.67
1.00133.68
1.00133.68
1.00133.68
1.00133.68
1.00133.68
1.00133.68
1.00133.68
1.00133.68
1.00133.68
1.00138.83
1.00138.83
1.00138.83
1.00138.83
1.00138.83
1.00138.83
1.00138.83
1.00138.83
1.00149.53
1.00149.53
1.00149.53
1.00149.53
1.00149.53
1.00149.53
1.00149.53
1.00169.37
1.00169.37
1.00169.37
1.00169.37
1.00169.37
1.00169.37
1.00 86.23
1.00 86.23
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233
234
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
235
235
235
235
236
236
236
236
236
236
236
236
236
237
237
237
237
237
238
238
238
238
238
238
238
238
238
238
238
239
239
239
239
239
239
240
240
240
240
240
240
240
241
241
241
16.194
18.641
19.176
19.042
20.214
21.124
21.711
20.616
19.553
20.882
19.827
18.838
20.667
20.408
20.586
21.708
19.461
19.468
18.064
17.327
17.029
16.294
16.018
20.246
20.894
20.208
20.868
20.692
21.145
20.875
19.405
18.589
19.119
17.242
22.333
22.966
22.914
24.325
24.788
24.614
24.790
24.614
25.651
24.697
25.688
23.901
24.247
23.222
24.298
25.194
23.337
23.271
22.079
22.219
21.825
22.745
21.955
22.877
22.483
24.508
25.091
24.956
26.093
26.490
26.949
27.262
28.025
27.432
28.540
28.609
28.710
29.843
28.412
29.379
27.188
26.948
25.457
13.663
13.798
12.983
15.077
15.481
16.426
15.788
15.731
16.329
14.993
16.210
15.889
17.194
18.002
17.189
16.942
16.757
16.076
15.723
14.666
15.094
14.024
14.525
14.806
14.400
14.139
12.874
12.269
10.812
10.199
10.273
9.258
8.161
9.342
13.057
12.217
14.166
14.401
15.678
15.614
16.965
16.899
16.022
14.551
13.981
15.309
15.558
16.450
14.256
14.023
13.362
12.097
11.237
9.908
9.727
8.839
8.501
7.611
7.440
11.312
10.713
11.301
10.496
10.596
11.905
10.946
10.125
12.272
12.813
14.308
14.704
14.793
12.460
12.066
12.560
12.314
12.423
-11.112
-10.931
-10.182
-10.997
-10.281
-11.086
-12.347
-13.402
-13.245
-14.513
-9.042
-8.387
-8.670
-7.521
-6.282
-5.842
-5.688
-4.429
-3.907
-4.730
-6.166
-6.975
-8.338
-4.524
-3.561
-5.687
-5.820
-7.224
-7.333
-8.709
-8.946
-8.537
-7.920
-8.742
-5.568
-4.931
-6.064
-5.924
-6.646
-8.165
-8.861
-10.379
-10.970
-4.479
-4.025
-3.704
-2.334
-1.614
-1.603
-0.792
-1.888
-1.218
-1.672
-1.010
0.296
-1.699
0.905
-1.096
0.210
-1.508
-0.606
-2.776
-3.111
-4.595
-4.894
-2.295
-1.791
-2.146
-1.412
-1.511
-2.871
-0.736
0.036
0.687
0.574
1.962
2.292
S25
1.00 86.23
1.00 86.23
1.00 86.23
1.00197.03
1.00197.03
1.00197.03
1.00197.03
1.00197.03
1.00197.03
1.00197.03
1.00197.03
1.00197.03
1.00 76.86
1.00 76.86
1.00 76.86
1.00 76.86
1.00131.15
1.00131.15
1.00131.15
1.00131.15
1.00131.15
1.00131.15
1.00131.15
1.00131.15
1.00131.15
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 43.56
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 27.44
1.00 27.44
1.00 27.44
1.00 27.44
1.00 27.44
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 72.77
1.00 72.77
1.00 72.77
1.00 72.77
1.00 72.77
1.00 72.77
1.00 34.24
1.00 34.24
1.00 34.24
1.00 34.24
1.00 34.24
1.00 34.24
1.00 34.24
1.00 39.79
1.00 39.79
1.00 39.79
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
SG
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
CYS
CYS
CYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
244
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
245
246
246
246
246
246
246
247
247
247
247
247
247
247
248
248
248
248
248
248
248
249
249
249
249
249
249
250
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
24.804
27.374
27.889
27.129
27.499
26.963
27.360
28.995
29.557
29.682
31.112
31.708
31.580
31.738
32.718
31.163
31.710
30.769
31.310
30.961
32.207
32.186
31.341
31.659
32.516
30.623
30.515
29.225
29.150
29.142
27.971
31.652
32.282
31.954
32.967
33.114
33.553
34.284
35.039
34.585
35.868
36.078
35.109
37.558
36.025
37.107
34.945
35.019
33.717
33.865
33.338
35.371
36.255
34.702
34.882
33.981
32.614
36.292
36.917
36.848
38.172
38.675
38.061
36.529
38.702
39.103
39.979
38.945
39.840
39.792
40.483
39.847
41.772
40.479
42.410
41.765
39.667
14.102
10.913
10.615
10.011
8.634
7.766
6.415
8.509
7.754
9.251
9.130
9.971
11.355
9.592
9.012
10.638
11.160
14.065
13.660
12.386
15.646
14.637
15.258
10.089
10.031
9.236
8.171
7.351
6.122
6.527
5.211
7.213
6.804
6.839
5.854
5.504
6.639
6.368
5.649
7.646
8.172
9.594
10.505
9.949
8.117
7.826
8.407
8.434
8.843
8.773
10.235
7.076
6.948
6.021
4.692
3.660
3.965
4.248
3.730
4.461
3.976
4.248
3.316
3.413
3.555
4.633
3.985
5.948
6.640
8.158
8.309
7.954
8.785
8.077
8.911
8.556
6.256
2.049
2.242
3.319
1.277
1.409
0.259
0.441
1.405
2.196
0.515
0.404
-0.739
-0.455
1.680
2.144
2.298
3.514
2.158
3.357
4.067
2.774
3.720
1.856
4.552
5.430
4.508
5.462
5.293
6.220
7.702
5.843
5.288
6.262
4.031
3.786
2.294
1.562
4.266
4.917
3.986
4.347
3.911
4.679
4.126
5.832
6.336
6.577
8.008
8.634
10.163
8.103
8.541
9.386
8.040
8.555
7.853
8.084
8.360
9.284
7.156
6.919
5.490
4.425
4.386
3.049
7.880
8.451
8.087
8.961
8.759
7.446
6.278
7.379
5.063
6.168
5.007
10.405
S26
1.00 39.79
1.00 39.79
1.00 39.79
1.00 68.86
1.00 68.86
1.00 68.86
1.00 68.86
1.00 68.86
1.00 68.86
1.00 66.82
1.00 66.82
1.00 66.82
1.00 66.82
1.00 66.82
1.00 66.82
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 80.02
1.00 42.24
1.00 42.24
1.00 42.24
1.00 42.24
1.00 42.24
1.00 42.24
1.00 42.24
1.00 42.24
1.00 66.47
1.00 66.47
1.00 66.47
1.00 66.47
1.00 66.47
1.00 66.47
1.00 83.54
1.00 83.54
1.00 83.54
1.00 83.54
1.00 83.54
1.00 83.54
1.00 83.54
1.00 33.78
1.00 33.78
1.00 33.78
1.00 33.78
1.00 33.78
1.00 33.78
1.00 33.78
1.00 74.64
1.00 74.64
1.00 74.64
1.00 74.64
1.00 74.64
1.00 74.64
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00122.75
1.00122.75
1.00122.75
1.00122.75
1.00122.75
1.00122.75
1.00122.75
1.00122.75
1.00122.75
1.00122.75
S
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1953
1954
1955
1956
1957
1958
1959
1960
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
2021
2022
2023
2024
2025
2026
2027
2028
2029
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
251
252
252
252
252
252
252
252
252
252
252
252
253
253
253
253
254
254
254
254
254
254
254
255
255
255
255
255
255
256
256
256
256
256
256
256
256
256
256
256
257
257
257
257
257
257
258
258
258
258
258
258
258
259
259
259
259
259
259
259
259
260
260
260
260
260
260
260
260
260
260
260
261
261
261
261
261
40.659
38.413
38.104
36.691
36.576
37.132
35.908
37.032
35.805
36.368
38.221
38.603
37.880
37.741
39.000
38.952
40.163
41.364
42.568
42.825
42.303
41.630
41.980
41.473
41.753
41.587
41.879
40.816
41.237
39.506
38.510
37.067
36.200
35.885
35.706
35.087
34.907
34.597
38.694
38.573
38.979
39.069
39.300
40.933
40.187
40.023
41.356
42.470
43.698
44.812
44.057
42.096
42.382
41.421
41.053
40.332
40.191
39.591
40.671
40.141
40.268
39.191
38.284
37.160
36.203
35.222
36.280
34.334
35.395
34.420
39.026
38.831
39.927
40.608
41.570
42.622
41.408
6.128
6.128
5.811
6.274
6.193
7.176
5.154
7.122
5.096
6.079
4.354
4.027
3.433
2.042
1.453
0.730
1.731
1.106
1.468
2.862
1.072
1.543
0.736
2.846
3.337
4.863
5.295
2.709
2.144
2.761
2.267
2.467
1.892
2.624
0.616
2.087
0.073
0.810
0.802
0.320
0.041
-1.378
-2.166
-1.895
-1.686
-2.473
-1.053
-1.318
-0.556
-0.851
-0.931
-0.871
-1.540
0.287
0.871
2.221
2.883
2.257
4.039
-0.050
-0.184
-0.711
-1.569
-2.110
-2.855
-2.181
-4.223
-2.860
-4.907
-4.226
-2.743
-3.131
-3.326
-4.527
-5.041
-4.110
-4.292
11.118
10.890
12.266
12.669
14.155
14.943
14.763
16.313
16.134
16.912
12.633
13.755
11.712
12.063
12.622
13.616
12.013
12.488
11.670
11.761
10.208
13.893
14.753
14.169
15.483
15.589
16.910
16.458
17.466
16.154
17.064
16.581
17.648
18.773
17.527
19.756
18.506
19.624
17.271
18.395
16.200
16.385
15.079
14.333
17.328
18.258
17.129
17.990
17.590
18.609
16.141
19.363
20.356
19.440
20.689
20.519
21.884
22.799
22.024
21.403
22.604
20.724
21.435
20.534
21.401
22.091
21.521
22.893
22.321
23.009
21.994
23.146
21.186
21.571
20.486
20.282
22.812
S27
1.00122.75
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00114.97
1.00 33.86
1.00 33.86
1.00 33.86
1.00 33.86
1.00 31.83
1.00 31.83
1.00 31.83
1.00 31.83
1.00 31.83
1.00 31.83
1.00 31.83
1.00 38.11
1.00 38.11
1.00 38.11
1.00 38.11
1.00 38.11
1.00 38.11
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00100.95
1.00120.09
1.00120.09
1.00120.09
1.00120.09
1.00120.09
1.00120.09
1.00 42.40
1.00 42.40
1.00 42.40
1.00 42.40
1.00 42.40
1.00 42.40
1.00 42.40
1.00 98.64
1.00 98.64
1.00 98.64
1.00 98.64
1.00 98.64
1.00 98.64
1.00 98.64
1.00 98.64
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 49.18
1.00 81.89
1.00 81.89
1.00 81.89
1.00 81.89
1.00 81.89
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
SER
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
261
262
262
262
262
262
262
263
263
263
263
263
263
263
264
264
264
264
264
264
265
265
265
265
265
265
265
266
266
266
266
266
266
266
266
266
266
267
267
267
267
267
267
268
268
268
268
268
269
269
269
269
269
269
269
269
269
270
270
270
270
270
270
270
270
270
271
271
271
271
271
271
271
271
272
272
272
41.492
41.996
42.848
43.451
44.283
42.083
42.603
40.880
40.168
40.594
38.919
39.419
39.884
39.771
39.754
39.494
39.435
38.376
40.651
40.469
41.881
43.023
43.705
44.819
44.120
44.002
44.869
43.902
44.767
41.938
43.007
44.419
41.129
42.495
40.841
46.186
47.096
46.392
47.694
47.625
48.932
48.463
49.689
47.788
48.504
47.609
49.531
49.403
50.616
51.647
53.059
53.277
53.761
53.870
54.065
51.360
51.169
51.302
51.021
49.698
49.634
49.682
48.313
47.752
52.127
52.861
52.270
53.311
53.842
52.700
51.563
52.954
52.834
51.979
53.413
53.241
54.043
-5.165
-3.093
-2.865
-1.448
-1.291
-3.075
-3.709
-2.574
-2.842
-1.240
-1.985
-0.743
-4.276
-4.792
-4.926
-6.323
-6.965
-6.393
-6.917
-7.623
-6.631
-7.164
-8.273
-8.757
-7.789
-6.068
-5.736
-5.487
-4.408
-4.172
-3.357
-3.843
-2.111
-2.102
-3.376
-4.896
-4.322
-6.017
-6.531
-7.719
-8.184
-6.983
-7.064
-7.289
-7.800
-8.087
-6.793
-5.602
-7.262
-6.346
-6.964
-8.118
-7.538
-8.247
-6.212
-5.857
-6.642
-4.518
-3.919
-3.132
-1.982
-2.438
-2.821
-3.965
-2.957
-2.536
-2.607
-1.748
-2.169
-2.074
-2.483
-1.598
-0.326
0.124
0.399
1.802
2.229
23.673
22.960
24.093
24.115
25.256
25.367
26.283
25.505
26.707
25.097
26.683
25.957
26.787
27.896
25.623
25.666
24.271
23.519
26.389
27.379
25.918
26.600
25.840
26.574
24.441
26.892
26.084
28.099
28.471
30.289
29.987
29.857
30.088
29.867
30.336
28.553
27.959
29.263
29.592
30.564
30.865
28.391
28.448
27.269
26.132
24.915
25.722
25.999
25.075
24.691
24.729
23.749
22.428
21.429
22.420
23.308
22.380
23.152
21.881
21.843
22.850
24.310
24.878
24.125
21.569
22.461
20.271
19.774
18.394
17.392
17.748
16.253
19.660
20.420
18.672
18.369
17.191
S28
1.00 81.89
1.00 93.16
1.00 93.16
1.00 93.16
1.00 93.16
1.00 93.16
1.00 93.16
1.00177.21
1.00177.21
1.00177.21
1.00177.21
1.00177.21
1.00177.21
1.00177.21
1.00104.38
1.00104.38
1.00104.38
1.00104.38
1.00104.38
1.00104.38
1.00227.60
1.00227.60
1.00227.60
1.00227.60
1.00227.60
1.00227.60
1.00227.60
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00145.71
1.00103.44
1.00103.44
1.00103.44
1.00103.44
1.00103.44
1.00103.44
1.00 49.27
1.00 49.27
1.00 49.27
1.00 49.27
1.00 49.27
1.00130.72
1.00130.72
1.00130.72
1.00130.72
1.00130.72
1.00130.72
1.00130.72
1.00130.72
1.00130.72
1.00200.81
1.00200.81
1.00200.81
1.00200.81
1.00200.81
1.00200.81
1.00200.81
1.00200.81
1.00200.81
1.00203.45
1.00203.45
1.00203.45
1.00203.45
1.00203.45
1.00203.45
1.00203.45
1.00203.45
1.00220.18
1.00220.18
1.00220.18
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
O
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
272
272
272
272
273
273
273
273
273
273
273
274
274
274
274
274
275
275
275
275
275
275
276
276
276
276
276
276
276
277
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
280
280
280
280
280
280
280
281
281
281
281
281
281
281
282
282
282
282
282
282
282
53.463
55.417
51.837
51.014
51.524
50.187
49.462
49.207
50.336
50.107
50.102
50.021
49.829
50.051
48.431
48.219
47.430
46.046
45.092
45.229
45.715
44.975
46.256
45.933
46.530
45.902
48.053
46.424
45.710
47.662
48.181
49.681
50.028
51.780
51.682
47.435
47.205
47.032
46.419
46.081
46.429
45.604
47.635
45.997
48.030
47.211
47.620
45.120
44.777
44.381
43.066
42.453
41.058
43.103
43.124
42.122
44.309
44.573
46.025
46.253
46.405
44.222
44.103
44.116
43.759
43.737
43.225
45.145
42.375
41.985
41.587
40.212
39.488
40.092
39.501
40.066
39.015
1.724
1.594
2.056
1.147
3.321
3.635
4.456
3.544
5.675
4.322
5.549
3.518
4.016
2.940
4.537
5.600
3.796
4.113
3.078
3.067
5.445
6.224
5.741
6.975
7.074
5.980
6.957
8.120
9.101
8.041
9.114
8.979
7.896
7.876
9.369
9.184
10.263
8.006
7.809
6.318
5.889
6.083
5.258
5.654
4.830
5.028
4.584
8.566
9.216
8.512
9.074
8.794
9.050
9.710
10.568
11.205
11.156
12.571
12.878
14.398
12.262
13.148
14.361
12.305
12.746
11.630
12.177
11.018
13.331
14.102
12.974
13.368
12.764
13.114
11.237
14.867
15.338
15.997
17.348
17.915
17.928
17.520
17.095
18.110
19.320
18.459
15.763
15.669
14.684
13.351
12.276
13.176
12.596
13.695
13.466
14.085
15.499
14.050
13.452
15.242
15.888
17.256
18.137
17.116
15.054
14.866
14.532
13.725
13.390
12.372
11.886
10.854
12.430
11.889
11.924
10.640
10.453
9.071
7.986
8.892
6.737
7.653
6.569
5.292
10.613
9.626
11.735
11.898
13.243
13.201
14.292
11.751
11.434
11.987
11.982
12.249
12.188
13.604
10.641
10.497
9.604
8.282
7.277
5.935
7.202
8.325
7.449
9.354
9.444
10.623
11.858
10.452
9.407
8.976
S29
1.00220.18
1.00220.18
1.00220.18
1.00220.18
1.00255.67
1.00255.67
1.00255.67
1.00255.67
1.00255.67
1.00255.67
1.00255.67
1.00 61.05
1.00 61.05
1.00 61.05
1.00 61.05
1.00 61.05
1.00 38.19
1.00 38.19
1.00 38.19
1.00 38.19
1.00 38.19
1.00 38.19
1.00 97.40
1.00 97.40
1.00 97.40
1.00 97.40
1.00 97.40
1.00 97.40
1.00 97.40
1.00137.93
1.00137.93
1.00137.93
1.00137.93
1.00137.93
1.00137.93
1.00137.93
1.00137.93
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00137.89
1.00128.73
1.00128.73
1.00128.73
1.00128.73
1.00128.73
1.00128.73
1.00128.73
1.00 74.67
1.00 74.67
1.00 74.67
1.00 74.67
1.00 74.67
1.00 74.67
1.00 74.67
1.00 59.96
1.00 59.96
1.00 59.96
1.00 59.96
1.00 59.96
1.00 59.96
1.00 59.96
1.00 81.33
1.00 81.33
1.00 81.33
1.00 81.33
1.00 81.33
1.00 81.33
1.00 81.33
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2184
2185
2186
2187
2188
2189
2190
2191
2192
2193
2194
2195
2196
2197
2198
2199
2200
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
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG
C
O
N
CA
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
LEU
LEU
283
283
283
283
283
283
283
284
284
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286
286
286
286
286
286
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
290
290
290
290
290
290
290
290
290
290
290
290
291
291
291
291
291
291
292
292
40.983
40.792
41.601
41.782
41.891
40.844
40.353
41.589
41.684
43.025
43.196
44.777
44.429
40.616
40.138
40.201
39.469
39.191
40.473
40.138
41.406
38.157
37.788
37.402
36.088
35.182
35.902
36.774
35.533
36.073
35.243
36.902
36.806
37.612
37.739
37.827
37.148
36.623
38.043
38.500
39.620
40.203
40.997
39.987
41.548
40.537
41.316
37.350
37.109
36.586
35.482
34.804
33.555
35.787
35.269
34.471
33.868
34.262
33.256
33.185
31.986
30.722
32.125
29.612
31.019
29.760
28.622
33.555
32.680
34.809
35.140
36.585
36.856
35.006
34.491
35.475
35.441
15.671
17.082
15.423
17.778
16.800
17.563
18.660
16.881
17.227
16.777
17.155
16.635
17.324
16.723
17.456
15.453
14.748
13.288
12.461
11.010
12.577
15.366
15.418
15.851
16.301
16.564
17.401
16.908
18.706
17.438
17.384
18.453
19.517
18.860
20.619
20.373
19.053
19.605
18.057
17.579
16.537
16.201
17.110
14.967
16.802
14.655
15.572
16.953
17.230
16.106
15.418
14.472
13.910
13.385
12.556
16.434
16.319
17.457
18.456
19.388
20.269
19.726
21.636
20.536
22.450
21.902
22.735
19.240
19.428
19.696
20.482
21.009
21.773
19.627
20.070
18.369
17.502
9.870
9.671
11.161
10.601
11.781
8.241
7.990
7.344
5.939
5.333
3.860
3.124
1.481
4.996
4.131
5.157
4.133
4.518
4.713
5.081
3.497
3.788
2.615
4.780
4.446
5.671
6.714
7.429
6.800
3.460
2.552
3.514
2.552
4.715
3.053
4.570
1.173
0.207
1.063
-0.208
-0.036
-1.363
-2.025
-1.930
-3.247
-3.150
-3.813
-0.928
-2.102
-0.218
-0.819
0.129
-0.572
0.595
1.769
-1.244
-2.310
-0.398
-0.610
0.616
0.559
0.542
0.590
0.511
0.561
0.518
0.489
-1.855
-2.700
-2.024
-3.178
-3.143
-4.309
-4.397
-5.421
-4.314
-5.453
S30
1.00171.54
1.00171.54
1.00171.54
1.00171.54
1.00171.54
1.00171.54
1.00171.54
1.00160.37
1.00160.37
1.00160.37
1.00160.37
1.00160.37
1.00160.37
1.00160.37
1.00160.37
1.00 63.80
1.00 63.80
1.00 63.80
1.00 63.80
1.00 63.80
1.00 63.80
1.00 63.80
1.00 63.80
1.00129.53
1.00129.53
1.00129.53
1.00129.53
1.00129.53
1.00129.53
1.00129.53
1.00129.53
1.00 72.06
1.00 72.06
1.00 72.06
1.00 72.06
1.00 72.06
1.00 72.06
1.00 72.06
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 46.31
1.00 34.08
1.00 34.08
1.00 34.08
1.00 34.08
1.00 34.08
1.00 34.08
1.00 34.08
1.00 34.08
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 81.90
1.00 67.59
1.00 67.59
1.00 67.59
1.00 67.59
1.00 67.59
1.00 67.59
1.00 58.30
1.00 58.30
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
2321
2322
2323
2324
2325
2326
2327
2328
2329
2330
2331
2332
2333
2334
2335
2336
2337
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
292
292
292
292
292
292
293
293
293
293
293
293
293
293
293
293
293
294
294
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
300
300
300
300
300
300
301
301
301
301
301
36.175
37.698
38.382
38.267
34.038
33.717
33.148
31.855
31.342
30.195
30.660
29.450
28.849
29.361
27.742
30.843
29.746
31.171
30.186
30.267
28.928
28.603
28.120
30.468
31.405
29.646
29.905
28.921
29.187
28.149
27.899
27.515
29.767
30.594
28.711
28.449
27.093
26.828
25.469
24.695
25.192
29.493
29.920
29.909
30.889
31.136
32.382
29.880
29.557
32.165
32.846
32.521
33.671
34.141
33.162
33.790
32.829
33.525
33.168
31.986
34.029
33.522
32.441
32.026
33.022
33.134
32.469
32.181
31.282
32.006
33.529
33.881
34.311
35.670
36.307
35.562
36.274
16.167
16.314
14.940
17.286
17.166
17.161
16.866
16.463
15.166
14.534
13.917
13.502
14.390
15.647
14.020
17.527
17.240
18.792
19.818
20.493
21.152
22.212
20.498
20.839
21.629
20.856
21.764
21.598
22.559
22.298
21.155
23.391
23.169
24.020
23.443
24.784
24.931
26.361
26.395
25.416
27.399
25.275
26.426
24.427
24.828
23.769
24.167
23.584
24.833
25.061
26.062
24.130
24.408
23.248
22.870
21.965
21.571
20.702
25.507
25.791
26.248
27.311
26.902
28.038
28.464
29.607
28.247
29.374
29.070
28.342
29.707
30.862
28.625
28.723
27.346
26.482
25.136
-5.248
-5.109
-5.137
-6.158
-5.841
-7.029
-4.873
-5.344
-4.697
-5.488
-6.810
-7.574
-8.419
-8.562
-9.127
-5.062
-4.585
-5.373
-5.203
-3.823
-3.522
-4.053
-2.646
-6.257
-6.144
-7.321
-8.400
-9.568
-10.729
-11.811
-12.188
-12.317
-7.915
-8.234
-7.124
-6.683
-5.974
-5.502
-4.821
-4.989
-4.113
-5.722
-5.808
-4.760
-3.784
-2.758
-1.944
-1.905
-1.089
-4.489
-4.278
-5.385
-6.166
-7.060
-8.174
-9.235
-10.358
-11.334
-7.033
-7.094
-7.693
-8.508
-9.533
-10.276
-7.668
-8.096
-6.453
-5.620
-4.408
-3.428
-5.116
-4.881
-4.927
-4.499
-4.244
-3.207
-2.992
S31
1.00 58.30
1.00 58.30
1.00 58.30
1.00 58.30
1.00 58.30
1.00 58.30
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00223.04
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 84.89
1.00 84.89
1.00 84.89
1.00 84.89
1.00 84.89
1.00 84.89
1.00 84.89
1.00 84.89
1.00 84.89
1.00 55.54
1.00 55.54
1.00 55.54
1.00 55.54
1.00 55.54
1.00 55.54
1.00 55.54
1.00 55.54
1.00 55.54
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00120.45
1.00256.30
1.00256.30
1.00256.30
1.00256.30
1.00256.30
1.00256.30
1.00256.30
1.00256.30
1.00256.30
1.00256.03
1.00256.03
1.00256.03
1.00256.03
1.00256.03
1.00256.03
1.00125.73
1.00125.73
1.00125.73
1.00125.73
1.00125.73
1.00125.73
1.00156.57
1.00156.57
1.00156.57
1.00156.57
1.00156.57
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
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
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
301
301
301
302
302
302
302
302
302
302
302
302
302
302
303
303
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
308
308
308
309
309
309
309
309
309
35.320
36.430
37.228
36.181
36.919
36.618
37.125
37.075
38.080
39.388
39.777
40.308
36.549
37.397
35.255
34.830
33.331
32.385
30.916
30.579
29.145
35.556
35.976
35.683
36.362
36.197
36.817
38.354
36.265
37.825
38.410
38.445
39.870
40.371
41.873
40.050
40.698
40.246
41.149
39.548
39.946
39.505
39.952
41.301
39.238
40.051
41.326
42.425
42.483
43.589
43.618
39.292
38.103
40.052
39.535
40.507
40.775
39.931
38.313
37.336
38.324
37.175
37.441
36.187
35.614
36.509
35.976
34.621
36.798
36.145
36.453
34.874
33.721
32.417
31.104
30.713
29.323
27.243
29.340
30.253
28.856
29.385
28.668
27.225
26.593
27.301
26.912
25.872
27.565
30.821
31.669
31.134
32.493
32.716
32.128
32.146
31.136
31.220
33.332
34.439
32.854
33.645
33.066
33.907
33.860
35.342
33.723
34.807
32.564
32.515
31.141
31.249
30.161
30.543
33.409
34.234
33.304
34.228
33.848
34.836
34.939
35.799
36.497
35.979
34.231
36.325
34.580
35.608
35.493
35.517
36.590
37.827
38.962
39.207
40.186
38.177
38.675
37.875
38.153
38.113
38.308
39.726
40.590
41.529
41.664
42.331
37.117
36.008
37.505
36.703
37.514
36.764
35.712
35.114
-1.897
-5.623
-5.421
-6.857
-7.971
-9.299
-9.335
-10.727
-11.571
-11.547
-10.753
-12.316
-8.132
-8.412
-7.944
-8.110
-7.829
-8.874
-8.447
-7.350
-6.996
-7.115
-7.437
-5.862
-4.874
-3.451
-2.311
-2.301
-2.331
-5.189
-5.228
-5.484
-5.643
-5.977
-6.290
-4.835
-3.506
-6.762
-6.632
-7.902
-8.908
-10.330
-11.379
-11.862
-12.024
-12.884
-12.791
-11.550
-13.427
-12.195
-13.115
-8.494
-8.217
-8.440
-7.927
-8.063
-9.558
-7.330
-8.707
-8.150
-10.016
-10.820
-12.335
-13.192
-13.154
-13.974
-14.808
-14.909
-15.546
-10.514
-10.085
-10.692
-10.414
-10.572
-10.299
-11.339
-11.122
S32
1.00156.57
1.00156.57
1.00156.57
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00120.40
1.00 73.10
1.00 73.10
1.00 73.10
1.00 73.10
1.00 73.10
1.00 73.10
1.00 73.10
1.00 73.10
1.00 73.10
1.00156.60
1.00156.60
1.00156.60
1.00156.60
1.00156.60
1.00156.60
1.00156.60
1.00156.60
1.00113.13
1.00113.13
1.00113.13
1.00113.13
1.00113.13
1.00113.13
1.00113.13
1.00113.13
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00254.04
1.00187.02
1.00187.02
1.00187.02
1.00187.02
1.00187.02
1.00187.02
1.00187.02
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00353.45
1.00269.39
1.00269.39
1.00269.39
1.00269.39
1.00269.39
1.00269.39
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
END
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
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
OXT
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
311
311
311
311
311
312
312
312
312
312
312
313
313
313
313
313
313
313
313
313
29.263
33.643
33.286
33.977
33.762
34.299
35.827
33.825
34.068
34.375
35.571
33.523
33.953
30.766
31.619
33.093
29.536
30.850
29.534
33.784
32.799
34.765
34.613
35.109
36.511
35.433
36.645
34.769
35.482
33.438
34.449
33.364
36.174
35.772
37.114
34.427
35.520
34.441
35.679
34.623
34.929
35.081
33.867
34.255
33.348
33.265
32.311
31.042
29.757
30.758
30.580
31.600
31.878
30.314
30.039
29.304
29.952
29.005
29.517
29.735
27.812
27.893
26.697
25.497
26.706
24.526
25.450
24.992
25.406
24.167
-9.813
-11.321
-10.855
-12.623
-13.580
-14.951
-14.863
-15.958
-17.416
-13.098
-12.825
-12.975
-12.474
-11.937
-11.530
-11.283
-11.757
-11.426
-12.057
-13.562
-13.589
-14.479
-15.539
-16.902
-16.862
-15.184
-14.989
-15.092
-14.763
-14.504
-14.199
-13.622
-15.982
-17.102
-15.831
S33
1.00269.39
1.00269.39
1.00269.39
1.00279.20
1.00279.20
1.00279.20
1.00279.20
1.00279.20
1.00279.20
1.00279.20
1.00279.20
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00243.59
1.00105.51
1.00105.51
1.00105.51
1.00105.51
1.00105.51
1.00105.51
1.00142.88
1.00142.88
1.00142.88
1.00142.88
1.00142.88
1.00142.88
1.00142.88
1.00142.88
N
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
O
PDB and structure of OR1G1 built by homology modeling using CXC1 chemokine receptor
(PDB ID 2LNL) as template.
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1
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
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
2
2
3
3
3
3
4
4
4
4
4
4
4
4
4
5
5
5
5
5
5
5
5
6
6
6
6
39.031
39.701
38.725
38.135
36.898
35.656
40.910
41.595
41.209
42.387
42.698
43.088
44.601
45.234
45.145
42.151
41.371
42.817
42.711
41.371
40.490
41.191
39.931
39.940
40.856
41.014
41.407
42.750
38.959
37.809
39.421
38.563
38.099
37.493
36.793
37.777
37.365
36.227
37.607
36.535
37.040
35.951
-43.576
-43.979
-43.858
-42.459
-42.339
-43.384
-43.144
-42.745
-42.857
-42.098
-42.009
-43.338
-43.493
-42.670
-44.429
-40.704
-39.955
-40.333
-38.999
-38.854
-39.695
-37.758
-37.484
-36.230
-36.334
-35.009
-33.836
-34.066
-37.221
-37.655
-36.516
-36.170
-37.381
-36.869
-35.858
-37.581
-35.492
-35.889
-34.445
-33.722
-32.682
-31.837
19.283
18.027
16.843
16.653
15.324
16.144
17.784
18.725
16.504
16.216
14.710
14.055
14.148
14.862
13.503
16.694
16.108
17.803
18.308
18.943
18.763
19.706
20.327
21.220
22.441
23.191
22.292
21.717
19.226
19.279
18.176
17.081
16.253
14.949
14.925
13.825
17.649
17.398
18.457
19.068
20.091
20.787
S34
1.00 72.38
1.00 72.38
1.00 72.38
1.00 72.38
1.00 72.38
1.00 72.38
1.00 72.38
1.00 72.38
1.00191.24
1.00191.24
1.00191.24
1.00191.24
1.00191.24
1.00191.24
1.00191.24
1.00191.24
1.00191.24
1.00 68.40
1.00 68.40
1.00 68.40
1.00 68.40
1.00 78.89
1.00 78.89
1.00 78.89
1.00 78.89
1.00 78.89
1.00 78.89
1.00 78.89
1.00 78.89
1.00 78.89
1.00230.31
1.00230.31
1.00230.31
1.00230.31
1.00230.31
1.00230.31
1.00230.31
1.00230.31
1.00298.82
1.00298.82
1.00298.82
1.00298.82
N
C
C
C
S
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
C
O
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
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
GLY
GLY
GLY
GLY
6
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
9
9
9
9
9
9
9
9
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
13
13
13
13
13
13
13
14
14
14
14
14
14
14
14
15
15
15
15
15
15
15
15
16
16
16
16
35.350
34.882
35.783
36.362
34.449
33.605
33.142
32.482
32.194
32.395
32.104
31.652
30.506
30.015
28.908
29.406
29.549
28.274
27.145
26.000
26.470
25.475
24.157
26.656
26.537
26.404
25.891
26.420
25.980
24.409
23.832
23.760
22.341
21.798
21.941
21.680
21.377
21.788
22.064
22.948
20.828
20.580
19.182
17.853
20.725
20.569
21.049
21.328
21.587
20.305
20.002
19.399
18.813
18.210
17.914
20.160
19.009
20.440
19.371
19.834
20.871
21.225
20.440
18.532
19.025
17.221
16.397
14.913
14.621
13.117
15.212
16.506
16.698
16.437
16.445
15.158
14.152
-30.779
-32.731
-33.017
-32.320
-33.208
-32.538
-33.406
-32.617
-34.486
-32.108
-32.639
-31.121
-30.642
-29.259
-28.828
-31.634
-32.609
-31.405
-32.284
-31.816
-31.769
-30.468
-30.034
-32.318
-31.284
-33.538
-33.696
-34.939
-36.121
-33.840
-33.839
-33.963
-34.130
-34.158
-32.832
-33.087
-34.256
-32.111
-35.478
-36.332
-35.712
-37.029
-37.227
-37.038
-37.914
-37.467
-39.196
-40.097
-41.540
-42.037
-41.834
-42.699
-42.288
-43.154
-42.949
-40.106
-39.976
-40.245
-40.237
-40.413
-39.382
-39.613
-37.939
-41.421
-42.544
-41.199
-42.327
-41.969
-41.079
-40.779
-41.685
-43.185
-44.396
-42.550
-43.319
-44.047
-43.502
19.849
21.433
17.989
17.159
17.976
17.033
15.899
14.920
16.449
17.795
18.865
17.263
17.975
17.503
18.282
17.778
17.042
18.469
18.410
19.258
20.720
18.737
19.373
17.001
16.345
16.487
15.160
14.423
15.073
15.255
16.341
14.083
14.014
12.575
11.831
10.351
9.987
9.562
14.574
14.624
15.042
15.529
16.137
14.915
14.337
13.201
14.569
13.492
13.960
14.535
15.862
13.738
16.383
14.254
15.579
12.571
12.989
11.265
10.322
8.867
8.390
6.916
8.680
10.634
10.748
10.787
11.056
11.215
12.434
12.548
13.717
9.851
9.948
8.667
7.467
7.529
7.983
S35
1.00298.82
1.00298.82
1.00298.82
1.00298.82
1.00280.96
1.00280.96
1.00280.96
1.00280.96
1.00280.96
1.00280.96
1.00280.96
1.00151.14
1.00151.14
1.00151.14
1.00151.14
1.00151.14
1.00151.14
1.00122.07
1.00122.07
1.00122.07
1.00122.07
1.00122.07
1.00122.07
1.00122.07
1.00122.07
1.00115.36
1.00115.36
1.00115.36
1.00115.36
1.00115.36
1.00115.36
1.00190.95
1.00190.95
1.00190.95
1.00190.95
1.00190.95
1.00190.95
1.00190.95
1.00190.95
1.00190.95
1.00 97.78
1.00 97.78
1.00 97.78
1.00 97.78
1.00 97.78
1.00 97.78
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00194.30
1.00300.81
1.00300.81
1.00300.81
1.00300.81
1.00300.81
1.00300.81
1.00300.81
1.00300.81
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 83.37
1.00 87.39
1.00 87.39
1.00 87.39
1.00 87.39
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
17
17
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
19
19
19
19
19
19
19
19
19
20
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
22
23
23
23
23
23
23
23
23
23
24
24
24
24
24
24
24
24
24
25
25
25
25
25
25
25
15.144
13.925
13.892
12.469
11.583
12.013
10.261
10.690
9.814
13.884
14.919
12.703
12.652
11.259
10.385
13.583
14.185
13.732
14.633
14.618
15.149
16.634
17.177
17.244
14.190
15.020
12.866
12.320
10.846
9.824
8.454
8.339
7.383
13.086
13.680
13.034
13.740
12.913
11.717
12.188
10.741
14.988
15.004
16.079
17.359
18.446
19.867
20.517
20.299
21.257
17.650
18.245
17.171
17.363
16.648
16.994
18.387
19.206
18.650
16.764
17.269
15.677
15.013
13.778
12.590
11.403
10.932
10.901
15.957
15.871
16.872
17.749
18.700
19.440
20.333
21.251
21.822
-45.305
-46.018
-47.405
-47.841
-47.389
-48.682
-47.763
-49.061
-48.602
-46.218
-46.110
-46.499
-46.626
-46.955
-45.851
-47.716
-48.411
-47.869
-48.833
-48.866
-47.575
-47.487
-48.482
-46.427
-50.159
-51.043
-50.319
-51.559
-51.522
-51.448
-51.630
-51.741
-51.667
-52.013
-51.202
-53.349
-54.122
-54.428
-55.357
-56.756
-54.725
-53.414
-52.542
-53.800
-53.227
-53.830
-53.376
-54.466
-55.664
-54.119
-53.564
-52.774
-54.742
-55.238
-56.580
-57.238
-57.836
-57.265
-58.873
-54.247
-54.051
-53.574
-52.656
-51.973
-52.922
-52.116
-52.318
-51.177
-51.573
-51.091
-51.134
-50.069
-49.630
-48.317
-48.354
-49.574
-49.735
7.075
7.252
6.589
6.653
5.703
7.643
5.734
7.680
6.725
8.723
9.376
9.299
10.726
11.292
11.112
11.145
10.329
12.468
13.008
14.545
15.173
14.855
14.304
15.156
12.502
12.293
12.290
11.815
11.375
12.510
11.871
10.651
12.707
10.630
9.918
10.429
9.452
8.193
8.472
8.902
9.476
9.070
8.202
9.746
9.501
10.410
10.077
9.236
9.558
8.276
8.089
7.367
7.660
6.333
6.102
4.766
4.907
5.676
4.242
5.388
4.285
5.805
4.926
5.536
5.680
6.183
7.301
5.338
4.506
3.379
5.388
4.990
6.121
5.860
4.624
4.600
3.248
S36
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00184.80
1.00120.49
1.00120.49
1.00120.49
1.00120.49
1.00120.49
1.00120.49
1.00118.71
1.00118.71
1.00118.71
1.00118.71
1.00118.71
1.00118.71
1.00118.71
1.00118.71
1.00118.71
1.00250.50
1.00250.50
1.00250.50
1.00250.50
1.00250.50
1.00250.50
1.00250.50
1.00250.50
1.00250.50
1.00272.35
1.00272.35
1.00272.35
1.00272.35
1.00272.35
1.00272.35
1.00272.35
1.00272.35
1.00157.61
1.00157.61
1.00157.61
1.00157.61
1.00157.61
1.00157.61
1.00157.61
1.00157.61
1.00157.61
1.00114.28
1.00114.28
1.00114.28
1.00114.28
1.00114.28
1.00114.28
1.00114.28
1.00114.28
1.00114.28
1.00 71.67
1.00 71.67
1.00 71.67
1.00 71.67
1.00 71.67
1.00 71.67
1.00 71.67
1.00 71.67
1.00 71.67
1.00188.15
1.00188.15
1.00188.15
1.00188.15
1.00188.15
1.00188.15
1.00188.15
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
LYS
LYS
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
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
TYR
25
25
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
28
28
28
28
28
28
28
28
28
28
28
29
29
29
29
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
31
31
32
32
32
32
32
32
32
32
33
33
33
33
33
33
33
33
33
33
33
34
34
34
34
34
34
34
34
35
18.536
18.664
19.062
19.742
19.686
20.527
20.158
18.774
19.203
17.468
16.523
15.072
14.028
14.279
12.593
16.613
16.636
16.706
16.773
16.975
15.898
15.960
14.845
14.988
13.872
13.935
18.023
18.026
19.125
20.405
20.360
20.883
19.715
19.698
18.933
17.542
19.008
19.381
17.979
17.240
16.042
15.117
14.121
15.244
13.259
14.383
13.388
18.168
18.208
18.974
19.831
20.630
21.461
22.166
22.465
20.781
20.964
21.407
22.330
23.135
24.224
23.997
25.485
25.010
26.503
26.266
21.589
22.086
20.369
19.624
18.248
17.472
15.887
15.475
19.404
19.526
19.077
-50.534
3.804
-49.804
2.821
-51.724
3.838
-52.203
2.678
-52.260
5.029
-53.445
3.110
-53.648
4.590
-52.438
1.574
-52.559
0.432
-52.523
1.879
-52.754
0.829
-52.854
1.342
-53.123
0.240
-54.480 -0.438
-52.997
0.780
-51.580 -0.095
-51.734 -1.315
-50.363
0.471
-49.179 -0.340
-47.894
0.485
-47.737
1.504
-48.443
2.682
-46.877
1.308
-48.314
3.646
-46.743
2.270
-47.459
3.440
-49.276 -1.148
-49.056 -2.360
-49.637 -0.468
-49.662 -1.103
-50.632 -2.229
-50.363 -3.309
-51.788 -2.013
-52.779 -3.041
-54.056 -2.656
-53.792 -2.571
-52.180 -4.217
-52.430 -5.360
-51.359 -3.958
-50.749 -5.018
-49.946 -4.481
-49.665 -5.612
-50.563 -5.920
-48.522 -6.365
-50.323 -6.962
-48.276 -7.408
-49.176 -7.708
-49.827 -5.744
-49.814 -6.973
-49.054 -4.990
-48.079 -5.606
-47.285 -4.545
-46.073 -5.029
-45.404 -3.840
-46.429 -6.132
-48.801 -6.516
-48.413 -7.671
-49.885 -6.026
-50.623 -6.838
-51.681 -6.059
-50.964 -5.327
-50.364 -4.109
-50.890 -5.874
-49.706 -3.450
-50.234 -5.222
-49.641 -4.006
-51.273 -7.961
-51.335 -9.084
-51.771 -7.693
-52.429 -8.726
-52.923 -8.251
-53.682 -9.327
-54.376 -8.770
-55.145 -10.362
-51.427 -9.811
-51.737 -10.994
-50.184 -9.416
S37
1.00188.15
1.00188.15
1.00 93.06
1.00 93.06
1.00 93.06
1.00 93.06
1.00 93.06
1.00 93.06
1.00 93.06
1.00 80.21
1.00 80.21
1.00 80.21
1.00 80.21
1.00 80.21
1.00 80.21
1.00 80.21
1.00 80.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00103.21
1.00 27.27
1.00 27.27
1.00 27.27
1.00 27.27
1.00 31.73
1.00 31.73
1.00 31.73
1.00 31.73
1.00 31.73
1.00 31.73
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 50.07
1.00 96.86
1.00 96.86
1.00 96.86
1.00 96.86
1.00 96.86
1.00 96.86
1.00 96.86
1.00 96.86
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 59.06
1.00 59.06
1.00 59.06
1.00 59.06
1.00 59.06
1.00 59.06
1.00 59.06
1.00 59.06
1.00 73.60
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
35
35
35
35
35
35
35
35
35
35
35
36
36
36
36
36
36
36
36
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
41
41
41
41
42
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
44
45
45
45
45
18.879
18.370
18.421
17.537
19.351
17.586
19.405
18.524
18.579
20.182
20.219
21.292
22.590
23.720
23.669
24.822
23.618
22.917
23.598
22.475
22.854
22.307
20.769
22.892
22.375
23.144
21.098
20.568
19.075
18.602
18.715
21.199
21.468
21.490
21.969
22.255
23.637
22.117
23.229
23.495
24.033
25.271
26.023
24.947
25.665
23.839
23.407
23.104
23.272
22.636
22.211
21.690
20.862
21.389
19.520
23.340
23.118
24.590
25.617
27.007
27.681
28.265
28.715
25.675
25.828
25.547
25.628
25.533
26.699
26.699
26.706
24.479
24.654
23.267
22.062
20.833
20.768
-49.105
-47.804
-46.819
-46.913
-45.806
-46.013
-44.902
-45.009
-44.087
-48.793
-48.433
-48.933
-48.563
-48.865
-48.006
-48.357
-46.513
-49.326
-48.804
-50.590
-51.330
-52.735
-52.693
-53.472
-50.609
-50.392
-50.188
-49.477
-49.299
-48.780
-48.341
-48.121
-47.604
-47.524
-46.172
-45.619
-46.086
-44.090
-46.107
-45.109
-47.184
-47.179
-48.518
-46.943
-46.230
-47.538
-47.387
-45.942
-45.418
-45.268
-43.905
-43.371
-42.146
-41.122
-42.257
-43.039
-42.076
-43.311
-42.444
-42.725
-44.052
-43.994
-44.497
-42.619
-41.656
-43.872
-44.134
-45.632
-46.459
-46.468
-47.869
-43.478
-42.796
-43.667
-43.168
-43.633
-45.166
-10.337
-9.692
-10.804
-11.853
-10.797
-12.890
-11.831
-12.880
-13.946
-10.999
-12.174
-10.254
-10.742
-9.746
-8.476
-7.522
-8.841
-11.989
-12.870
-12.107
-13.277
-13.287
-13.269
-14.505
-14.506
-15.441
-14.529
-15.657
-15.604
-16.837
-14.461
-15.721
-16.805
-14.548
-14.524
-13.153
-12.675
-13.222
-15.325
-15.992
-15.301
-16.024
-15.925
-17.465
-18.160
-17.940
-19.299
-19.525
-20.625
-18.462
-18.537
-17.198
-17.529
-17.957
-17.338
-19.000
-19.726
-18.593
-19.089
-18.475
-18.890
-20.312
-17.844
-20.575
-21.323
-21.047
-22.454
-22.778
-22.211
-20.676
-22.809
-23.147
-24.153
-22.597
-23.188
-22.462
-22.564
S38
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00 73.60
1.00160.44
1.00160.44
1.00160.44
1.00160.44
1.00160.44
1.00160.44
1.00160.44
1.00160.44
1.00 93.90
1.00 93.90
1.00 93.90
1.00 93.90
1.00 93.90
1.00 93.90
1.00 93.90
1.00100.81
1.00100.81
1.00100.81
1.00100.81
1.00100.81
1.00100.81
1.00100.81
1.00 99.16
1.00 99.16
1.00 99.16
1.00 99.16
1.00 99.16
1.00 99.16
1.00 99.16
1.00 27.33
1.00 27.33
1.00 27.33
1.00 27.33
1.00 27.33
1.00 25.39
1.00 25.39
1.00 25.39
1.00 25.39
1.00 95.15
1.00 95.15
1.00 95.15
1.00 95.15
1.00 95.15
1.00 95.15
1.00 95.15
1.00 95.15
1.00106.16
1.00106.16
1.00106.16
1.00106.16
1.00106.16
1.00106.16
1.00106.16
1.00106.16
1.00 82.10
1.00 82.10
1.00 82.10
1.00 82.10
1.00 82.10
1.00 82.10
1.00 82.10
1.00 82.10
1.00 93.74
1.00 93.74
1.00 93.74
1.00 93.74
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
45
45
45
45
46
46
46
46
46
46
46
46
47
47
47
47
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
51
51
51
51
51
51
51
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
55
55
55
20.837
19.503
22.063
21.663
22.506
22.439
22.810
24.295
22.410
23.157
23.307
22.859
24.568
25.429
26.918
27.601
27.011
29.134
25.010
25.015
24.624
24.358
24.025
23.627
25.229
23.211
23.307
22.094
20.955
19.717
18.557
19.453
18.303
21.263
21.040
21.865
22.133
22.807
24.217
22.773
23.605
23.013
22.839
23.986
24.885
25.950
26.731
26.834
24.096
24.365
23.087
22.360
21.304
22.022
23.081
21.509
21.658
21.196
21.625
20.931
21.270
20.707
20.731
19.451
18.673
19.048
17.698
17.653
16.244
16.402
15.767
17.280
17.039
15.818
17.883
17.689
19.011
-43.114
-43.284
-41.675
-41.028
-41.086
-39.672
-39.250
-39.574
-37.790
-36.734
-38.986
-38.044
-39.423
-38.760
-39.137
-38.562
-39.167
-38.676
-39.012
-38.101
-40.260
-40.612
-42.064
-42.295
-42.903
-39.834
-39.276
-39.747
-39.131
-39.261
-38.675
-40.738
-40.932
-37.694
-37.241
-36.952
-35.555
-34.892
-35.491
-33.354
-32.776
-35.437
-34.540
-36.351
-36.316
-37.372
-37.196
-37.274
-36.560
-35.952
-37.450
-37.819
-38.912
-40.229
-40.464
-41.021
-36.629
-35.741
-36.558
-35.517
-35.474
-34.317
-36.743
-35.742
-34.799
-37.026
-37.534
-39.069
-39.658
-41.170
-41.849
-41.713
-37.126
-37.165
-36.764
-36.462
-35.956
-21.017
-20.296
-23.166
-24.132
-22.047
-21.877
-20.481
-20.256
-20.191
-21.006
-22.890
-23.540
-23.062
-24.003
-23.876
-22.617
-21.333
-22.702
-25.419
-26.245
-25.740
-27.106
-27.288
-28.758
-26.830
-27.662
-28.755
-26.923
-27.520
-26.685
-27.496
-26.349
-25.362
-27.809
-28.924
-26.861
-27.087
-25.912
-25.754
-26.030
-27.174
-28.294
-29.120
-28.430
-29.543
-29.466
-28.292
-30.721
-30.786
-31.820
-30.717
-31.899
-31.660
-31.399
-32.039
-30.564
-32.479
-31.770
-33.824
-34.529
-35.993
-36.593
-36.672
-34.406
-34.272
-34.418
-34.396
-34.415
-34.386
-34.334
-33.529
-35.219
-33.118
-32.988
-32.144
-30.753
-30.169
S39
1.00 93.74
1.00 93.74
1.00 93.74
1.00 93.74
1.00152.17
1.00152.17
1.00152.17
1.00152.17
1.00152.17
1.00152.17
1.00152.17
1.00152.17
1.00 90.41
1.00 90.41
1.00 90.41
1.00 90.41
1.00 90.41
1.00 90.41
1.00 90.41
1.00 90.41
1.00 39.19
1.00 39.19
1.00 39.19
1.00 39.19
1.00 39.19
1.00 39.19
1.00 39.19
1.00 71.89
1.00 71.89
1.00 71.89
1.00 71.89
1.00 71.89
1.00 71.89
1.00 71.89
1.00 71.89
1.00172.05
1.00172.05
1.00172.05
1.00172.05
1.00172.05
1.00172.05
1.00172.05
1.00172.05
1.00 32.30
1.00 32.30
1.00 32.30
1.00 32.30
1.00 32.30
1.00 32.30
1.00 32.30
1.00 53.77
1.00 53.77
1.00 53.77
1.00 53.77
1.00 53.77
1.00 53.77
1.00 53.77
1.00 53.77
1.00109.42
1.00109.42
1.00109.42
1.00109.42
1.00109.42
1.00109.42
1.00109.42
1.00128.50
1.00128.50
1.00128.50
1.00128.50
1.00128.50
1.00128.50
1.00128.50
1.00128.50
1.00128.50
1.00215.84
1.00215.84
1.00215.84
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
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
55
55
55
55
55
56
56
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
60
60
60
60
60
60
60
60
60
60
60
60
61
61
61
61
61
61
61
61
61
61
61
62
62
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
19.064
18.687
18.275
16.723
16.096
16.602
15.816
15.844
16.674
16.238
17.881
17.916
16.617
14.343
13.758
13.704
12.301
12.070
10.792
12.229
11.831
12.573
10.651
10.293
9.478
8.812
8.275
11.203
11.159
11.961
12.945
13.427
14.487
15.056
15.829
14.165
14.851
14.482
15.753
16.003
15.462
16.248
14.204
15.787
13.734
14.526
14.053
15.879
16.954
14.795
14.934
13.665
14.039
14.695
13.735
15.046
14.083
14.738
15.273
16.131
14.607
14.803
13.848
12.511
11.626
12.147
10.397
10.920
10.041
16.201
16.772
16.802
18.121
18.600
17.728
18.397
17.338
-35.134
-33.659
-35.765
-35.400
-35.556
-34.280
-33.254
-31.150
-31.568
-31.808
-31.319
-31.667
-31.016
-33.432
-33.062
-33.965
-34.250
-35.742
-36.090
-36.252
-33.649
-32.871
-33.927
-33.342
-34.042
-33.652
-33.632
-33.796
-33.225
-34.873
-35.422
-36.810
-36.789
-38.443
-38.821
-34.556
-34.525
-33.835
-33.166
-32.379
-30.988
-29.979
-30.671
-28.688
-29.379
-28.386
-27.060
-32.216
-32.083
-31.509
-30.604
-29.797
-28.848
-27.673
-29.127
-26.790
-28.247
-27.078
-31.427
-31.059
-32.586
-33.463
-34.669
-34.173
-33.624
-34.257
-33.168
-33.801
-33.258
-33.974
-34.098
-34.305
-34.865
-35.444
-36.642
-37.443
-37.504
-28.852
-29.080
-27.703
-30.384
-29.342
-31.117
-30.490
-33.256
-32.243
-30.829
-34.134
-32.795
-34.365
-30.669
-31.685
-29.606
-29.572
-29.575
-30.086
-28.134
-28.267
-27.670
-27.771
-26.508
-28.625
-26.314
-27.756
-25.417
-24.329
-25.671
-24.785
-25.222
-26.321
-26.804
-25.205
-24.733
-23.712
-25.827
-25.908
-27.219
-27.145
-26.632
-27.602
-26.549
-27.523
-26.995
-26.909
-24.764
-24.182
-24.407
-23.306
-22.986
-21.898
-22.193
-20.586
-21.200
-19.586
-19.892
-22.106
-21.304
-21.972
-20.857
-20.847
-20.412
-21.312
-19.087
-20.898
-18.667
-19.573
-20.835
-19.761
-21.989
-21.931
-23.263
-23.668
-24.781
-22.455
S40
1.00215.84
1.00215.84
1.00215.84
1.00215.84
1.00215.84
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00161.37
1.00134.09
1.00134.09
1.00134.09
1.00134.09
1.00134.09
1.00134.09
1.00134.09
1.00150.45
1.00150.45
1.00150.45
1.00150.45
1.00150.45
1.00150.45
1.00150.45
1.00155.68
1.00155.68
1.00155.68
1.00155.68
1.00155.68
1.00155.68
1.00155.68
1.00155.68
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00158.00
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 48.88
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 66.79
1.00 82.29
1.00 82.29
1.00 82.29
1.00 82.29
1.00 82.29
1.00 82.29
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
63
63
64
64
64
64
64
65
65
65
65
65
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
69
69
69
69
69
70
70
70
70
70
70
70
70
71
71
71
71
71
72
72
72
72
72
72
73
73
73
73
73
73
73
73
73
73
73
74
74
74
74
74
19.114
20.023
18.989
19.948
19.693
19.818
20.808
18.565
18.259
16.742
16.490
17.108
15.559
18.791
19.277
18.709
19.045
18.802
18.931
20.339
17.814
20.495
20.892
21.339
22.739
23.605
23.299
22.934
23.668
22.258
22.369
21.545
21.602
22.995
20.474
21.815
22.415
20.633
19.970
18.573
20.764
21.028
21.167
21.902
21.898
20.484
19.730
20.136
23.290
23.832
23.927
25.255
25.918
25.185
25.913
24.272
24.214
23.161
23.587
23.848
24.590
22.682
22.293
20.850
20.728
20.589
20.755
20.481
20.645
20.507
23.135
23.832
23.112
23.798
23.591
24.487
22.089
-33.881
-34.263
-32.590
-31.658
-30.218
-31.696
-31.716
-31.745
-31.798
-31.794
-32.074
-31.476
-33.027
-33.072
-33.090
-34.167
-35.505
-36.491
-37.998
-38.395
-38.467
-35.552
-36.194
-34.887
-34.958
-34.163
-32.778
-34.362
-34.892
-33.230
-32.554
-31.256
-30.488
-29.891
-29.449
-33.420
-33.564
-34.012
-34.773
-35.246
-35.987
-36.265
-36.750
-37.947
-38.926
-39.495
-39.182
-40.250
-37.628
-38.281
-36.619
-36.317
-35.206
-35.843
-36.320
-34.900
-34.382
-33.273
-31.737
-35.482
-35.781
-36.119
-37.127
-37.615
-38.777
-38.571
-40.066
-39.639
-41.137
-40.923
-38.353
-38.716
-39.023
-40.273
-40.970
-42.221
-41.255
-21.403
-20.667
-21.754
-21.230
-21.699
-19.739
-19.008
-19.261
-17.862
-17.613
-16.139
-15.260
-15.864
-17.284
-16.159
-18.055
-17.667
-18.833
-18.521
-18.053
-17.583
-17.335
-16.366
-18.141
-17.853
-18.844
-18.765
-16.506
-15.678
-16.257
-15.002
-14.980
-13.647
-13.398
-13.553
-13.917
-12.856
-14.154
-13.141
-13.580
-12.803
-11.635
-13.831
-13.572
-14.750
-14.747
-13.787
-15.692
-13.131
-12.244
-13.740
-13.305
-14.139
-11.891
-11.023
-11.608
-10.278
-10.105
-10.978
-9.339
-8.405
-9.559
-8.618
-8.799
-7.878
-6.527
-8.364
-5.672
-7.510
-6.160
-8.690
-7.745
-9.849
-9.915
-11.225
-11.254
-11.402
S41
1.00 82.29
1.00 82.29
1.00 33.45
1.00 33.45
1.00 33.45
1.00 33.45
1.00 33.45
1.00 60.60
1.00 60.60
1.00 60.60
1.00 60.60
1.00 60.60
1.00 60.60
1.00 60.60
1.00 60.60
1.00126.45
1.00126.45
1.00126.45
1.00126.45
1.00126.45
1.00126.45
1.00126.45
1.00126.45
1.00 25.30
1.00 25.30
1.00 25.30
1.00 25.30
1.00 25.30
1.00 25.30
1.00 47.50
1.00 47.50
1.00 47.50
1.00 47.50
1.00 47.50
1.00 47.50
1.00 47.50
1.00 47.50
1.00 47.96
1.00 47.96
1.00 47.96
1.00 47.96
1.00 47.96
1.00 66.81
1.00 66.81
1.00 66.81
1.00 66.81
1.00 66.81
1.00 66.81
1.00 66.81
1.00 66.81
1.00 35.21
1.00 35.21
1.00 35.21
1.00 35.21
1.00 35.21
1.00 91.85
1.00 91.85
1.00 91.85
1.00 91.85
1.00 91.85
1.00 91.85
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 91.74
1.00 86.53
1.00 86.53
1.00 86.53
1.00 86.53
1.00 86.53
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
VAL
VAL
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
74
74
75
75
75
75
75
75
76
76
76
76
76
76
76
77
77
77
77
77
77
77
78
78
78
78
78
78
78
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
81
82
82
82
82
82
82
82
82
83
83
83
83
83
84
84
84
84
84
84
84
84
85
85
85
25.261
25.936
25.792
27.212
27.746
27.406
27.778
28.241
27.736
28.435
28.523
29.329
27.108
27.861
28.594
26.536
25.948
24.586
23.619
24.691
25.901
25.976
25.783
25.613
25.481
25.562
24.140
26.742
26.492
27.967
29.025
28.424
30.316
29.931
28.855
29.339
28.184
27.928
27.208
26.758
27.911
27.467
28.651
27.038
27.124
26.145
25.200
24.276
23.217
21.905
22.929
25.935
25.605
26.976
27.700
28.857
28.391
29.589
27.369
28.299
28.305
28.781
29.422
29.851
28.434
28.787
27.154
26.170
24.762
23.759
23.613
23.048
26.144
26.255
25.994
25.903
25.474
-40.051
-40.633
-39.166
-39.077
-38.201
-38.773
-38.545
-39.293
-37.211
-36.585
-35.094
-34.536
-34.496
-36.874
-37.252
-36.714
-36.789
-36.150
-36.868
-34.716
-38.187
-38.379
-39.206
-40.554
-41.575
-42.969
-41.342
-40.987
-41.673
-40.644
-41.123
-40.384
-40.696
-40.693
-40.664
-41.342
-39.518
-39.044
-37.682
-37.268
-37.031
-36.764
-36.709
-40.050
-40.299
-40.651
-41.617
-42.137
-43.119
-42.349
-42.107
-42.801
-43.296
-43.277
-44.418
-44.834
-45.391
-45.799
-46.526
-44.028
-44.803
-42.778
-42.306
-40.833
-42.413
-42.752
-42.133
-42.162
-41.885
-41.812
-42.750
-40.657
-43.526
-43.655
-44.582
-45.926
-46.922
-9.786
-8.938
-10.636
-10.655
-11.802
-13.057
-9.384
-8.525
-9.237
-8.158
-8.321
-7.293
-8.283
-6.806
-5.894
-6.637
-5.329
-5.232
-5.977
-5.779
-4.790
-3.577
-5.663
-5.192
-6.283
-5.638
-6.996
-4.309
-3.319
-4.576
-3.732
-5.929
-4.423
-5.916
-2.319
-1.413
-2.107
-0.778
-0.745
0.660
1.637
3.078
3.966
-0.129
1.073
-0.935
-0.461
-1.575
-1.073
-0.080
1.399
0.091
1.167
-0.616
-0.135
-1.058
-2.414
-3.286
-2.227
1.171
2.127
1.249
2.436
2.333
3.550
4.679
3.260
4.300
3.743
4.881
5.663
4.974
4.927
6.146
4.104
4.606
3.563
S42
1.00 86.53
1.00 86.53
1.00139.01
1.00139.01
1.00139.01
1.00139.01
1.00139.01
1.00139.01
1.00120.48
1.00120.48
1.00120.48
1.00120.48
1.00120.48
1.00120.48
1.00120.48
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 63.95
1.00 57.94
1.00 57.94
1.00 57.94
1.00 57.94
1.00 57.94
1.00 57.94
1.00 57.94
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00115.21
1.00115.21
1.00115.21
1.00115.21
1.00115.21
1.00115.21
1.00115.21
1.00115.21
1.00115.21
1.00116.06
1.00116.06
1.00116.06
1.00116.06
1.00116.06
1.00116.06
1.00116.06
1.00116.06
1.00 38.57
1.00 38.57
1.00 38.57
1.00 38.57
1.00 38.57
1.00 38.57
1.00 38.57
1.00 38.57
1.00 32.90
1.00 32.90
1.00 32.90
1.00 32.90
1.00 32.90
1.00 85.31
1.00 85.31
1.00 85.31
1.00 85.31
1.00 85.31
1.00 85.31
1.00 85.31
1.00 85.31
1.00103.90
1.00103.90
1.00103.90
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
SER
SER
SER
SER
SER
SER
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
85
85
85
85
85
86
86
86
86
86
86
86
86
86
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
88
89
89
89
89
89
89
90
90
90
90
90
90
90
90
90
91
91
91
91
91
92
92
92
92
92
92
92
92
93
93
93
93
93
93
94
94
94
94
94
94
94
94
94
94
94
94
26.483
25.298
24.694
27.201
27.235
28.313
29.562
30.689
30.353
30.068
30.963
28.784
29.962
30.448
29.741
30.095
29.788
28.264
30.544
30.195
29.291
29.768
28.045
27.134
27.657
26.634
27.208
28.413
26.321
26.909
27.585
25.924
25.600
26.827
27.521
24.832
24.068
25.004
24.307
23.778
24.893
25.625
25.091
26.881
25.280
26.488
24.753
25.599
24.911
25.983
25.356
27.068
27.413
28.726
29.876
28.903
29.025
27.481
28.166
26.715
26.653
27.173
28.594
25.229
24.365
24.973
23.663
23.773
22.457
21.778
21.915
20.575
20.711
20.037
18.801
23.258
22.362
-46.882
-48.311
-49.352
-46.420
-46.982
-46.198
-46.795
-46.480
-46.950
-48.445
-49.250
-48.831
-46.305
-47.070
-45.009
-44.464
-42.988
-42.796
-42.333
-42.897
-45.225
-45.543
-45.569
-46.220
-47.534
-48.220
-49.559
-49.791
-50.471
-45.238
-45.230
-44.363
-43.299
-42.555
-41.907
-42.340
-42.737
-41.035
-40.066
-38.873
-38.000
-38.811
-39.074
-39.228
-39.509
-39.711
-38.829
-38.176
-37.873
-36.868
-36.411
-36.248
-34.963
-34.952
-35.235
-33.657
-32.372
-34.005
-34.265
-32.895
-31.796
-32.057
-32.063
-31.346
-31.794
-30.408
-29.869
-28.333
-27.631
-27.294
-27.272
-26.634
-26.611
-26.292
-25.613
-30.424
-29.912
2.403
4.201
3.263
5.167
6.260
4.442
4.817
3.825
2.409
2.473
2.727
2.239
6.164
6.995
6.425
7.696
7.800
7.848
8.971
10.344
8.697
9.785
8.321
9.209
9.818
10.728
11.167
11.076
11.650
10.296
11.323
10.049
10.937
11.491
10.435
10.099
9.220
10.361
9.578
10.393
10.973
12.031
13.108
11.714
8.594
8.702
7.561
6.612
5.267
7.222
8.176
6.721
7.248
8.001
7.022
8.818
7.998
6.099
5.111
6.211
5.280
3.851
3.840
5.178
5.930
4.241
4.000
3.858
3.774
4.921
2.560
4.854
2.486
3.639
3.578
2.669
1.999
S43
1.00103.90
1.00103.90
1.00103.90
1.00103.90
1.00103.90
1.00 81.52
1.00 81.52
1.00 81.52
1.00 81.52
1.00 81.52
1.00 81.52
1.00 81.52
1.00 81.52
1.00 81.52
1.00165.14
1.00165.14
1.00165.14
1.00165.14
1.00165.14
1.00165.14
1.00165.14
1.00165.14
1.00298.59
1.00298.59
1.00298.59
1.00298.59
1.00298.59
1.00298.59
1.00298.59
1.00298.59
1.00298.59
1.00186.13
1.00186.13
1.00186.13
1.00186.13
1.00186.13
1.00186.13
1.00177.43
1.00177.43
1.00177.43
1.00177.43
1.00177.43
1.00177.43
1.00177.43
1.00177.43
1.00177.43
1.00 54.37
1.00 54.37
1.00 54.37
1.00 54.37
1.00 54.37
1.00173.36
1.00173.36
1.00173.36
1.00173.36
1.00173.36
1.00173.36
1.00173.36
1.00173.36
1.00256.26
1.00256.26
1.00256.26
1.00256.26
1.00256.26
1.00256.26
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
1.00249.33
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
OG
C
O
N
CA
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
95
95
95
95
95
95
96
96
96
96
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
101
101
101
101
101
101
101
101
102
102
102
102
102
102
102
102
102
102
102
102
103
103
103
103
103
103
103
103
103
103
103
104
104
104
104
104
23.889
23.685
24.724
24.583
22.343
21.836
21.728
20.532
19.466
19.003
19.011
18.039
17.027
15.881
18.682
18.084
19.930
20.492
21.859
22.407
22.979
21.341
20.636
20.386
21.151
21.256
22.375
23.765
24.887
23.997
19.980
19.512
19.364
18.253
17.926
19.001
20.148
20.156
21.153
17.008
16.340
16.654
15.463
15.254
13.995
12.716
14.068
15.667
14.775
16.886
17.126
18.530
18.590
18.918
18.312
18.971
18.363
18.695
18.751
16.963
16.256
17.578
17.437
18.500
18.449
19.100
17.767
19.067
17.731
18.380
16.020
15.527
15.313
13.953
13.354
13.979
13.583
-31.546
-32.147
-33.237
-34.318
-32.794
-32.989
-33.166
-33.946
-33.196
-33.639
-32.053
-31.292
-30.554
-31.767
-30.412
-30.102
-29.973
-29.050
-28.475
-27.400
-28.000
-26.326
-29.695
-29.044
-30.931
-31.518
-32.568
-31.942
-32.987
-30.726
-32.118
-31.751
-33.045
-33.816
-35.026
-36.115
-35.710
-36.025
-35.001
-33.011
-33.103
-32.206
-31.413
-30.660
-29.783
-30.639
-28.840
-30.396
-30.117
-29.834
-28.757
-28.154
-26.896
-26.906
-25.695
-25.729
-24.516
-24.533
-23.329
-29.210
-28.560
-30.340
-30.660
-31.609
-33.025
-33.428
-33.961
-34.739
-35.274
-35.666
-31.050
-30.810
-31.672
-32.057
-33.058
-34.343
-34.933
2.284
1.000
0.688
1.598
0.907
-0.195
2.044
1.896
1.160
0.110
1.702
0.978
1.859
2.596
-0.040
-1.067
0.206
-0.729
-0.308
-1.278
-2.574
-1.559
-2.068
-3.073
-2.159
-3.466
-3.539
-3.297
-3.396
-4.208
-3.990
-5.065
-3.226
-3.722
-2.836
-2.888
-1.979
-0.790
-2.555
-3.896
-4.924
-2.885
-2.938
-1.612
-1.536
-1.557
-0.324
-4.007
-4.808
-4.056
-4.960
-4.849
-5.647
-6.985
-5.037
-7.695
-5.742
-7.075
-7.809
-6.371
-7.138
-6.771
-8.160
-8.776
-8.325
-7.185
-9.063
-6.777
-8.663
-7.518
-8.463
-9.565
-7.501
-7.761
-6.761
-7.181
-8.360
S44
1.00116.79
1.00116.79
1.00116.79
1.00116.79
1.00116.79
1.00116.79
1.00130.00
1.00130.00
1.00130.00
1.00130.00
1.00101.13
1.00101.13
1.00101.13
1.00101.13
1.00101.13
1.00101.13
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00194.10
1.00194.10
1.00194.10
1.00194.10
1.00194.10
1.00194.10
1.00194.10
1.00194.10
1.00113.91
1.00113.91
1.00113.91
1.00113.91
1.00113.91
1.00113.91
1.00113.91
1.00113.91
1.00113.91
1.00107.15
1.00107.15
1.00107.15
1.00107.15
1.00107.15
1.00107.15
1.00107.15
1.00107.15
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00117.62
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00195.36
1.00128.64
1.00128.64
1.00128.64
1.00128.64
1.00128.64
N
C
C
O
C
O
N
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
104
104
104
104
104
104
105
105
105
105
105
105
105
105
106
106
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
109
109
109
109
109
109
109
109
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
113
113
113
113
113
113
113
14.977
14.153
15.547
15.143
13.046
12.172
13.229
12.349
12.735
11.641
11.192
12.775
12.467
11.484
13.695
13.946
15.437
15.857
15.829
17.222
13.161
12.617
13.094
12.387
12.533
11.817
12.456
10.513
11.809
9.860
10.507
10.925
10.292
10.336
8.929
8.383
9.114
6.855
8.657
7.687
9.545
9.474
10.603
10.697
11.602
13.201
9.660
9.148
10.428
10.847
11.628
12.197
13.020
11.123
9.621
9.596
8.564
7.393
6.345
6.799
5.650
4.588
5.817
6.764
6.286
6.749
6.128
6.270
6.857
6.265
8.192
9.065
10.438
10.131
9.573
10.367
9.283
-34.935
-36.105
-36.108
-36.698
-30.877
-30.915
-29.783
-28.652
-27.490
-26.436
-25.482
-24.602
-28.162
-27.768
-28.190
-27.779
-27.952
-27.476
-25.944
-28.060
-28.711
-28.299
-30.004
-30.980
-32.418
-33.303
-33.748
-33.681
-34.563
-34.497
-34.938
-30.671
-30.709
-30.365
-30.104
-30.017
-28.905
-29.896
-28.860
-28.776
-27.866
-26.615
-25.670
-24.415
-24.580
-24.891
-26.873
-26.146
-27.924
-28.223
-29.558
-30.020
-31.304
-30.216
-28.339
-27.828
-28.997
-29.143
-30.092
-31.552
-32.442
-31.886
-33.690
-27.810
-27.549
-26.916
-25.642
-24.711
-24.967
-24.435
-25.004
-24.377
-23.974
-22.624
-22.460
-21.509
-21.200
-6.446
-8.796
-6.878
-8.053
-7.957
-8.821
-7.195
-7.323
-6.389
-6.185
-7.663
-7.794
-8.730
-9.355
-9.266
-10.612
-10.972
-12.374
-12.471
-12.775
-11.476
-12.495
-11.101
-11.888
-11.359
-12.323
-13.458
-12.100
-14.356
-12.995
-14.125
-11.907
-12.960
-10.738
-10.716
-9.327
-8.560
-9.435
-11.505
-12.256
-11.367
-12.064
-11.642
-12.504
-14.076
-13.280
-13.520
-14.371
-13.832
-15.164
-15.221
-16.586
-16.401
-17.671
-15.991
-17.102
-15.489
-16.302
-15.702
-15.770
-15.323
-14.936
-15.372
-16.555
-17.658
-15.550
-15.768
-14.557
-16.878
-17.816
-16.784
-17.723
-17.173
-16.626
-15.382
-17.397
-14.916
S45
1.00128.64
1.00128.64
1.00128.64
1.00128.64
1.00128.64
1.00128.64
1.00113.41
1.00113.41
1.00113.41
1.00113.41
1.00113.41
1.00113.41
1.00113.41
1.00113.41
1.00137.61
1.00137.61
1.00137.61
1.00137.61
1.00137.61
1.00137.61
1.00137.61
1.00137.61
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00 47.87
1.00112.31
1.00112.31
1.00112.31
1.00112.31
1.00112.31
1.00112.31
1.00112.31
1.00166.85
1.00166.85
1.00166.85
1.00166.85
1.00166.85
1.00166.85
1.00166.85
1.00166.85
1.00110.28
1.00110.28
1.00110.28
1.00110.28
1.00110.28
1.00110.28
1.00110.28
1.00110.28
1.00 45.42
1.00 45.42
1.00 45.42
1.00 45.42
1.00 45.42
1.00 45.42
1.00 45.42
1.00 45.42
1.00 45.42
1.00 41.14
1.00 41.14
1.00 41.14
1.00 41.14
1.00 41.14
1.00165.55
1.00165.55
1.00165.55
1.00165.55
1.00165.55
1.00165.55
1.00165.55
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
113
113
113
113
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
119
120
120
120
120
120
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
123
123
123
123
123
123
10.077
9.534
9.162
9.603
8.786
8.975
8.368
8.790
8.116
8.571
8.276
8.812
7.078
6.335
5.029
4.167
3.954
4.741
7.162
7.234
7.827
8.622
9.341
9.669
9.924
10.284
11.308
11.860
12.889
12.422
10.683
11.298
9.431
8.780
7.355
6.678
7.364
6.209
8.670
9.007
8.223
8.087
7.524
9.446
9.638
10.446
11.744
12.794
14.058
14.277
15.028
15.443
16.196
16.406
17.603
12.293
12.809
12.216
12.784
12.866
11.478
10.778
11.100
11.973
12.513
10.644
9.801
8.304
7.616
10.178
10.269
10.477
10.718
11.067
9.841
8.947
9.564
-20.248
-20.089
-25.088
-24.498
-26.375
-27.166
-28.578
-29.615
-30.974
-29.118
-26.457
-26.340
-25.910
-25.230
-24.625
-25.680
-26.869
-26.096
-24.081
-23.763
-23.432
-22.285
-21.725
-22.703
-22.010
-23.875
-24.358
-25.681
-26.157
-25.522
-24.556
-24.294
-25.043
-25.283
-25.838
-26.254
-27.755
-27.775
-23.971
-23.849
-22.923
-21.665
-20.563
-21.240
-20.840
-21.381
-20.881
-21.013
-20.504
-19.153
-21.383
-18.688
-20.924
-19.573
-19.099
-21.585
-20.932
-22.930
-23.594
-25.135
-25.753
-25.659
-26.329
-23.247
-23.060
-23.143
-22.834
-22.785
-24.420
-21.486
-21.308
-20.515
-19.171
-18.144
-17.692
-16.826
-18.123
-16.930
-15.680
-19.031
-20.014
-19.081
-20.261
-20.107
-21.170
-20.909
-22.605
-21.381
-22.482
-21.113
-22.134
-21.605
-20.904
-21.844
-19.538
-22.579
-23.765
-21.611
-21.918
-20.681
-22.897
-23.881
-22.668
-23.546
-23.102
-24.140
-21.679
-24.887
-25.919
-24.905
-26.157
-25.979
-27.287
-28.050
-29.452
-26.869
-28.046
-26.158
-26.822
-25.905
-27.260
-28.406
-26.371
-26.708
-25.599
-26.205
-26.350
-26.630
-26.911
-27.191
-27.332
-27.908
-27.906
-28.812
-27.956
-29.094
-29.010
-29.037
-27.997
-30.092
-30.294
-31.381
-30.127
-31.242
-30.886
-30.487
-31.758
-32.963
-30.872
-31.327
-30.223
-29.484
-30.073
-28.209
S46
1.00165.55
1.00165.55
1.00165.55
1.00165.55
1.00107.11
1.00107.11
1.00107.11
1.00107.11
1.00107.11
1.00107.11
1.00107.11
1.00107.11
1.00111.50
1.00111.50
1.00111.50
1.00111.50
1.00111.50
1.00111.50
1.00111.50
1.00111.50
1.00 37.85
1.00 37.85
1.00 37.85
1.00 37.85
1.00 37.85
1.00 35.36
1.00 35.36
1.00 35.36
1.00 35.36
1.00 35.36
1.00 35.36
1.00 35.36
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00149.09
1.00 37.85
1.00 37.85
1.00 37.85
1.00 37.85
1.00 37.85
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00 56.34
1.00 56.34
1.00 56.34
1.00 56.34
1.00 56.34
1.00 56.34
1.00 56.34
1.00 56.34
1.00 51.02
1.00 51.02
1.00 51.02
1.00 51.02
1.00 51.02
1.00 51.02
1.00132.59
1.00132.59
1.00132.59
1.00132.59
1.00132.59
1.00132.59
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
123
123
123
123
123
123
124
124
124
124
124
124
124
125
125
125
125
125
126
126
126
126
126
126
126
126
127
127
127
127
127
127
128
128
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
131
131
131
131
131
131
131
131
131
131
132
132
132
132
132
132
132
132
132
132
7.819
8.437
7.560
6.404
11.825
11.726
12.909
13.964
15.111
14.636
16.262
13.357
13.700
12.459
11.812
11.067
10.802
10.915
9.767
8.677
7.426
6.385
6.945
7.858
8.921
8.898
9.216
9.260
7.908
6.665
10.202
10.497
10.667
11.597
12.523
11.980
10.976
13.440
12.552
13.389
12.715
12.809
13.548
14.665
13.238
15.375
14.244
15.415
15.310
16.215
16.660
17.770
18.263
17.162
19.568
17.214
16.608
18.322
18.894
21.533
20.884
20.350
21.484
20.861
21.872
18.883
18.267
19.485
19.466
20.067
19.826
18.578
20.834
18.331
20.593
19.340
19.090
-16.394
-17.702
-16.833
-16.396
-19.136
-18.396
-19.915
-19.864
-20.794
-22.251
-20.465
-20.254
-19.696
-21.258
-21.621
-22.962
-20.601
-20.098
-20.300
-19.441
-19.719
-18.655
-21.165
-22.234
-17.964
-17.252
-17.454
-16.022
-15.393
-15.593
-15.639
-16.439
-14.370
-13.904
-11.906
-13.174
-13.649
-13.048
-13.855
-11.887
-14.885
-15.537
-15.061
-15.945
-14.796
-15.952
-15.640
-15.299
-14.079
-16.058
-15.611
-16.505
-16.048
-16.177
-16.759
-14.238
-13.335
-14.018
-12.716
-10.526
-11.324
-12.695
-9.388
-10.612
-9.381
-12.451
-13.198
-11.354
-11.248
-9.929
-9.892
-9.571
-10.169
-9.532
-10.132
-9.815
-9.778
-29.417
-27.540
-28.143
-27.461
-32.330
-33.307
-32.137
-33.108
-32.810
-32.909
-33.773
-34.419
-35.461
-34.404
-35.630
-35.525
-36.109
-37.224
-35.288
-35.671
-34.887
-35.281
-35.123
-34.523
-35.569
-36.569
-34.354
-34.248
-33.872
-35.182
-33.166
-32.290
-33.196
-32.210
-29.768
-29.811
-30.824
-28.093
-28.781
-28.722
-32.061
-31.021
-33.054
-32.902
-34.450
-34.253
-35.253
-31.790
-31.673
-31.021
-29.728
-29.166
-27.782
-26.718
-27.396
-29.740
-29.165
-30.455
-30.503
-30.613
-29.698
-29.992
-28.702
-28.536
-29.965
-31.961
-32.718
-32.422
-33.846
-34.363
-35.833
-36.312
-36.727
-37.663
-38.081
-38.549
-39.936
S47
1.00132.59
1.00132.59
1.00132.59
1.00132.59
1.00132.59
1.00132.59
1.00104.16
1.00104.16
1.00104.16
1.00104.16
1.00104.16
1.00104.16
1.00104.16
1.00 80.54
1.00 80.54
1.00 80.54
1.00 80.54
1.00 80.54
1.00126.79
1.00126.79
1.00126.79
1.00126.79
1.00126.79
1.00126.79
1.00126.79
1.00126.79
1.00 67.23
1.00 67.23
1.00 67.23
1.00 67.23
1.00 67.23
1.00 67.23
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00 93.32
1.00173.74
1.00173.74
1.00173.74
1.00173.74
1.00173.74
1.00173.74
1.00173.74
1.00245.98
1.00245.98
1.00245.98
1.00245.98
1.00245.98
1.00245.98
1.00245.98
1.00245.98
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00239.55
1.00173.57
1.00173.57
1.00173.57
1.00173.57
1.00173.57
1.00173.57
1.00173.57
1.00173.57
1.00173.57
1.00173.57
C
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
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
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
132
132
133
133
133
133
133
133
133
133
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
138
138
138
138
138
138
138
139
139
139
139
140
140
140
140
140
140
140
140
141
141
141
141
141
141
142
142
142
142
142
142
142
142
143
143
143
143
20.307
19.885
21.528
22.387
23.626
24.344
24.490
25.601
22.798
23.510
22.339
22.733
21.938
22.542
22.579
23.907
22.438
21.524
23.233
23.049
24.208
24.476
23.994
25.251
21.790
21.478
20.998
19.748
18.904
17.569
16.610
17.689
19.967
19.262
20.946
21.123
22.104
22.226
21.565
20.962
22.566
22.940
23.743
24.333
24.949
21.920
21.944
21.028
20.053
19.213
18.930
18.788
17.957
17.456
16.685
17.623
15.555
18.714
18.250
19.914
20.566
21.842
21.486
20.936
20.367
21.888
22.344
23.592
23.941
24.717
25.067
21.318
20.873
20.893
20.058
19.903
19.183
-12.379
-13.141
-12.520
-13.611
-13.186
-12.090
-14.408
-14.103
-14.287
-13.718
-15.537
-16.201
-15.699
-16.015
-17.513
-15.329
-17.648
-17.991
-18.538
-19.953
-20.724
-20.204
-22.239
-23.072
-20.347
-19.843
-21.244
-21.616
-22.567
-22.916
-24.212
-25.555
-22.308
-22.033
-23.230
-24.010
-25.188
-25.917
-23.170
-23.266
-22.344
-21.613
-22.698
-21.051
-22.110
-20.634
-20.300
-20.139
-19.218
-19.959
-19.475
-21.174
-21.961
-23.228
-24.258
-25.095
-23.589
-22.374
-22.181
-22.952
-23.500
-24.281
-25.773
-22.460
-22.399
-21.582
-20.679
-19.954
-18.929
-20.963
-21.812
-19.643
-19.497
-18.913
-17.774
-16.914
-15.662
-34.358
-35.226
-33.796
-34.151
-34.896
-34.092
-35.251
-36.256
-32.881
-32.054
-32.681
-31.479
-30.255
-28.867
-28.551
-28.694
-31.715
-32.463
-31.099
-31.243
-30.690
-29.269
-30.851
-30.606
-30.538
-29.463
-31.157
-30.560
-31.421
-30.757
-31.597
-31.026
-29.253
-28.283
-29.189
-27.998
-28.182
-26.970
-26.830
-25.762
-26.946
-25.767
-27.726
-26.038
-26.970
-25.289
-24.106
-26.165
-25.668
-24.687
-23.594
-25.068
-24.213
-24.943
-24.091
-23.204
-23.294
-22.996
-21.873
-23.185
-22.037
-22.391
-23.369
-21.039
-19.953
-21.389
-20.378
-20.791
-19.698
-21.062
-19.842
-20.075
-18.937
-21.120
-20.901
-22.170
-21.800
S48
1.00173.57
1.00173.57
1.00122.24
1.00122.24
1.00122.24
1.00122.24
1.00122.24
1.00122.24
1.00122.24
1.00122.24
1.00146.65
1.00146.65
1.00146.65
1.00146.65
1.00146.65
1.00146.65
1.00146.65
1.00146.65
1.00118.99
1.00118.99
1.00118.99
1.00118.99
1.00118.99
1.00118.99
1.00118.99
1.00118.99
1.00121.97
1.00121.97
1.00121.97
1.00121.97
1.00121.97
1.00121.97
1.00121.97
1.00121.97
1.00 87.78
1.00 87.78
1.00 87.78
1.00 87.78
1.00 87.78
1.00 87.78
1.00124.48
1.00124.48
1.00124.48
1.00124.48
1.00124.48
1.00124.48
1.00124.48
1.00 24.85
1.00 24.85
1.00 24.85
1.00 24.85
1.00111.92
1.00111.92
1.00111.92
1.00111.92
1.00111.92
1.00111.92
1.00111.92
1.00111.92
1.00127.41
1.00127.41
1.00127.41
1.00127.41
1.00127.41
1.00127.41
1.00151.40
1.00151.40
1.00151.40
1.00151.40
1.00151.40
1.00151.40
1.00151.40
1.00151.40
1.00126.70
1.00126.70
1.00126.70
1.00126.70
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
143
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145
145
145
145
145
145
145
146
146
146
146
146
146
147
147
147
147
147
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
151
151
151
151
151
151
151
151
152
152
152
152
152
152
152
152
17.809
19.886
17.149
19.231
17.858
18.687
18.234
17.999
16.611
15.958
14.423
13.980
13.695
16.408
15.659
17.095
16.793
17.478
17.179
18.957
17.196
16.513
18.317
18.789
20.034
20.453
17.717
17.350
17.165
16.174
15.724
14.958
14.388
14.538
13.345
13.024
12.680
13.528
12.599
14.759
15.068
16.525
16.796
18.097
15.918
16.588
17.930
19.328
18.996
20.402
20.238
14.834
14.298
15.196
15.100
15.576
17.062
14.683
14.900
13.683
13.429
12.713
11.349
10.361
8.925
7.738
8.513
10.999
10.341
11.470
11.227
11.855
11.162
11.734
9.873
11.864
11.379
-15.629
-14.513
-14.472
-13.352
-13.331
-18.137
-17.666
-19.011
-19.251
-20.144
-20.339
-21.172
-18.991
-19.919
-19.423
-21.050
-21.756
-23.084
-23.926
-22.878
-20.890
-20.831
-20.169
-19.356
-18.538
-17.749
-18.381
-18.271
-17.658
-16.659
-15.900
-17.307
-16.826
-18.441
-19.107
-20.341
-19.944
-19.569
-19.532
-19.984
-20.532
-21.013
-22.258
-22.838
-23.053
-24.097
-23.977
-22.454
-24.757
-23.240
-24.369
-19.518
-19.860
-18.244
-17.264
-15.899
-16.009
-15.316
-13.821
-17.116
-17.042
-17.075
-16.898
-16.892
-16.561
-16.569
-15.183
-18.067
-17.935
-19.250
-20.491
-21.645
-21.548
-21.846
-21.120
-20.417
-20.996
-21.744
-21.510
-21.403
-21.169
-21.113
-20.436
-19.395
-21.192
-20.926
-22.004
-21.908
-20.691
-22.010
-19.611
-18.771
-19.376
-18.169
-18.015
-19.268
-17.664
-17.033
-16.014
-17.191
-16.114
-16.491
-15.387
-15.740
-14.571
-16.731
-16.448
-17.705
-15.867
-14.890
-16.452
-16.018
-16.874
-18.194
-14.609
-13.805
-14.273
-12.989
-12.881
-13.687
-13.874
-14.362
-14.952
-14.660
-13.423
-15.009
-13.781
-14.557
-11.924
-10.875
-12.160
-11.113
-11.515
-11.892
-12.620
-12.851
-10.654
-9.454
-11.586
-11.172
-12.350
-11.941
-13.316
-14.197
-10.313
-9.282
-10.733
-10.068
-10.839
-12.177
-13.224
-12.126
-8.729
-7.759
S49
1.00126.70
1.00126.70
1.00126.70
1.00126.70
1.00126.70
1.00126.70
1.00126.70
1.00113.57
1.00113.57
1.00113.57
1.00113.57
1.00113.57
1.00113.57
1.00113.57
1.00113.57
1.00105.06
1.00105.06
1.00105.06
1.00105.06
1.00105.06
1.00105.06
1.00105.06
1.00 65.90
1.00 65.90
1.00 65.90
1.00 65.90
1.00 65.90
1.00 65.90
1.00 24.35
1.00 24.35
1.00 24.35
1.00 24.35
1.00 24.35
1.00 26.48
1.00 26.48
1.00 26.48
1.00 26.48
1.00 26.48
1.00 26.48
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 55.70
1.00 86.29
1.00 86.29
1.00 86.29
1.00 86.29
1.00 86.29
1.00 86.29
1.00 86.29
1.00 86.29
1.00 61.10
1.00 61.10
1.00 61.10
1.00 61.10
1.00 61.10
1.00 61.10
1.00 61.10
1.00 61.10
1.00 66.51
1.00 66.51
1.00 66.51
1.00 66.51
1.00 66.51
1.00 66.51
1.00 66.51
1.00 66.51
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
155
155
155
155
156
156
156
156
156
156
157
157
157
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
160
160
160
161
161
161
161
161
161
161
161
162
162
162
162
162
162
162
12.979
13.699
14.892
12.742
12.657
11.930
11.036
10.096
10.804
9.781
11.765
10.160
9.888
9.708
8.864
6.173
7.503
8.405
6.617
7.760
5.691
9.638
9.100
10.921
11.794
12.971
13.763
12.353
12.879
12.263
12.926
12.881
14.008
13.854
14.182
12.416
13.201
11.103
10.576
9.059
8.263
8.586
6.756
11.241
11.538
11.535
12.098
14.707
13.792
12.363
15.788
14.468
15.884
13.398
13.697
14.214
15.466
16.306
15.658
16.535
15.178
15.706
14.351
14.142
13.614
14.645
14.872
14.280
13.229
13.689
11.897
10.867
9.580
9.767
10.807
8.423
10.453
-19.680
-19.558
-18.593
-18.979
-19.455
-18.002
-17.315
-16.359
-15.241
-14.346
-14.434
-18.345
-18.290
-19.326
-20.355
-20.496
-20.783
-21.366
-19.956
-20.446
-20.005
-21.132
-21.527
-21.405
-22.192
-22.792
-21.772
-21.441
-22.074
-20.095
-19.357
-17.815
-17.138
-17.283
-15.673
-19.683
-19.757
-19.905
-20.084
-20.315
-19.075
-18.704
-19.256
-21.245
-21.191
-22.313
-23.487
-25.552
-24.720
-24.622
-24.501
-24.085
-25.382
-23.132
-23.623
-22.276
-21.968
-21.000
-19.741
-21.568
-21.355
-21.809
-20.294
-19.800
-18.357
-17.358
-17.561
-15.910
-20.644
-21.358
-20.550
-21.178
-20.333
-18.992
-18.099
-18.277
-22.595
-8.651
-7.433
-7.535
-6.460
-5.338
-6.898
-6.010
-6.762
-7.550
-8.267
-6.664
-5.375
-4.177
-6.173
-5.648
-7.549
-7.757
-6.712
-9.660
-9.051
-8.719
-4.631
-3.599
-4.936
-4.108
-4.902
-5.489
-2.919
-2.005
-2.865
-1.817
-1.902
-2.713
-4.225
-2.290
-0.456
0.487
-0.300
1.022
1.039
0.587
-0.869
0.829
1.687
2.879
0.929
1.526
0.676
0.074
0.519
-0.956
-0.922
0.022
2.161
3.249
1.510
2.129
1.343
1.256
-0.067
3.465
4.479
3.525
4.851
4.864
4.302
2.797
4.654
5.709
6.598
5.461
6.263
6.308
7.045
6.346
7.251
5.950
S50
1.00 34.35
1.00 34.35
1.00 34.35
1.00 34.35
1.00 34.35
1.00 40.70
1.00 40.70
1.00 40.70
1.00 40.70
1.00 40.70
1.00 40.70
1.00 40.70
1.00 40.70
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 98.85
1.00 67.16
1.00 67.16
1.00 67.16
1.00 67.16
1.00 67.16
1.00 67.16
1.00111.09
1.00111.09
1.00111.09
1.00111.09
1.00111.09
1.00111.09
1.00111.09
1.00111.09
1.00 90.87
1.00 90.87
1.00 90.87
1.00 90.87
1.00 90.87
1.00 90.87
1.00 90.87
1.00 90.87
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 84.37
1.00 51.54
1.00 51.54
1.00 51.54
1.00 51.54
1.00 51.54
1.00 51.54
1.00 51.54
1.00134.39
1.00134.39
1.00134.39
1.00134.39
1.00134.39
1.00134.39
1.00134.39
1.00134.39
1.00159.59
1.00159.59
1.00159.59
1.00159.59
1.00159.59
1.00159.59
1.00159.59
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
162
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
167
167
168
168
168
168
168
168
168
168
168
168
168
169
169
169
169
169
169
170
170
170
170
170
171
171
171
171
171
171
171
171
172
172
172
172
172
172
172
172
172
172
10.406
10.154
9.486
8.847
7.724
6.736
8.127
10.395
11.607
9.779
10.571
11.629
10.939
9.968
11.445
11.330
11.010
12.350
13.133
12.516
12.363
14.493
14.709
15.452
16.829
17.628
19.093
19.886
19.744
16.875
17.845
15.806
15.691
14.244
13.521
16.279
16.306
16.805
17.511
18.396
17.465
16.831
17.198
15.963
16.332
15.712
16.534
15.412
16.971
16.306
15.151
14.198
17.403
18.566
17.105
18.232
17.864
18.692
19.846
17.740
17.787
18.383
19.873
20.389
20.586
16.337
15.867
15.593
14.159
12.310
13.427
13.566
13.730
14.284
12.545
13.803
12.921
-23.447
-22.883
-24.103
-24.078
-23.061
-23.330
-23.182
-25.281
-25.177
-26.471
-27.650
-27.557
-27.322
-26.572
-27.987
-27.794
-27.172
-28.668
-28.781
-29.724
-31.026
-29.289
-29.954
-28.891
-29.277
-28.389
-28.815
-28.718
-28.037
-30.673
-31.399
-31.050
-32.268
-32.635
-33.005
-33.421
-33.474
-34.366
-35.530
-36.100
-36.671
-35.850
-38.023
-36.367
-38.546
-37.718
-36.610
-36.643
-37.502
-38.703
-38.477
-39.983
-39.417
-39.126
-40.406
-40.907
-42.024
-39.717
-39.305
-39.119
-37.881
-37.995
-38.258
-39.264
-37.333
-37.640
-37.530
-37.550
-37.520
-34.912
-35.111
-36.259
-33.275
-34.101
-33.802
-38.705
-38.644
6.837
4.666
4.290
2.887
2.694
1.190
0.032
4.282
4.465
4.113
3.981
2.862
1.527
1.446
0.454
5.246
6.258
5.226
6.408
7.456
6.913
6.064
5.052
6.915
6.957
7.927
8.129
6.818
9.287
7.484
7.269
8.215
8.965
9.338
8.174
8.231
7.003
9.033
8.600
9.719
10.736
11.638
10.770
12.571
11.701
12.605
8.269
8.772
7.363
6.957
5.966
5.598
6.250
6.517
5.384
4.658
3.669
3.858
3.941
3.108
2.388
0.978
1.123
0.639
1.818
2.224
1.098
3.343
3.263
4.345
3.563
2.608
4.838
3.875
5.088
2.434
1.580
S51
1.00159.59
1.00 91.36
1.00 91.36
1.00 91.36
1.00 91.36
1.00 91.36
1.00 91.36
1.00 91.36
1.00 91.36
1.00108.11
1.00108.11
1.00108.11
1.00108.11
1.00108.11
1.00108.11
1.00108.11
1.00108.11
1.00 68.96
1.00 68.96
1.00 68.96
1.00 68.96
1.00 68.96
1.00 68.96
1.00176.00
1.00176.00
1.00176.00
1.00176.00
1.00176.00
1.00176.00
1.00176.00
1.00176.00
1.00130.20
1.00130.20
1.00130.20
1.00130.20
1.00130.20
1.00130.20
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00196.31
1.00137.48
1.00137.48
1.00137.48
1.00137.48
1.00137.48
1.00137.48
1.00112.90
1.00112.90
1.00112.90
1.00112.90
1.00112.90
1.00177.44
1.00177.44
1.00177.44
1.00177.44
1.00177.44
1.00177.44
1.00177.44
1.00177.44
1.00215.80
1.00215.80
1.00215.80
1.00215.80
1.00215.80
1.00215.80
1.00215.80
1.00215.80
1.00215.80
1.00215.80
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
N
C
C
N
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1352
1353
1354
1355
1356
1357
1358
1359
1360
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
1421
1422
1423
1424
1425
1426
1427
1428
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG2
CG1
CD1
C
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
173
173
173
173
173
173
173
173
173
174
174
174
174
174
174
174
174
175
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
178
178
178
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
14.504
14.327
15.463
15.561
16.319
16.529
16.704
13.069
13.010
12.020
10.756
9.695
10.249
9.247
10.380
10.312
11.111
9.109
8.711
8.432
7.355
7.453
8.754
7.958
9.699
9.881
10.351
9.440
9.705
8.456
8.290
9.708
11.289
12.007
11.730
13.040
13.387
12.188
11.770
11.436
10.637
10.309
9.906
14.057
14.735
14.111
15.065
16.459
17.304
17.335
18.085
18.122
18.876
18.894
14.505
13.456
15.229
14.707
15.509
14.640
13.352
13.177
12.354
10.994
10.247
8.842
8.518
8.059
10.298
10.766
9.120
8.158
6.845
7.048
6.306
4.879
7.943
-39.827
-40.963
-41.990
-42.957
-42.234
-41.000
-42.900
-41.647
-42.312
-41.475
-42.118
-41.258
-40.741
-40.151
-39.263
-42.379
-42.212
-42.822
-42.953
-43.771
-43.651
-44.526
-41.582
-40.731
-41.364
-40.103
-36.605
-37.623
-38.892
-35.926
-37.192
-35.614
-40.133
-41.098
-39.086
-39.180
-37.938
-37.582
-38.303
-36.504
-37.912
-36.110
-36.817
-39.269
-40.284
-38.221
-38.062
-37.573
-38.781
-39.460
-39.231
-40.578
-40.345
-41.022
-37.109
-37.416
-35.990
-35.013
-33.683
-32.375
-34.709
-34.076
-35.219
-35.280
-36.327
-36.653
-36.422
-37.161
-33.981
-33.064
-33.920
-32.876
-33.276
-33.506
-34.500
-34.904
-32.653
2.674
1.827
1.953
0.771
-0.334
-0.187
-1.333
2.222
3.252
1.402
1.606
2.225
3.561
1.258
0.764
0.219
-0.701
0.002
-1.358
0.867
-1.329
-0.059
-1.935
-1.540
-2.861
-3.501
-3.505
-3.338
-2.583
-4.454
-3.927
-4.174
-3.971
-3.714
-4.684
-5.245
-6.064
-6.879
-7.977
-6.481
-8.663
-7.160
-8.265
-4.144
-4.002
-3.291
-2.222
-2.641
-2.855
-4.051
-1.815
-4.192
-1.952
-3.146
-1.219
-0.656
-0.903
0.029
0.135
1.082
-0.504
-1.540
0.224
-0.193
0.659
0.166
-1.027
1.012
-0.003
0.670
-0.643
-0.553
-1.150
-2.658
-0.386
-0.753
0.901
S52
1.00247.98
1.00247.98
1.00247.98
1.00247.98
1.00247.98
1.00247.98
1.00247.98
1.00247.98
1.00247.98
1.00176.42
1.00176.42
1.00176.42
1.00176.42
1.00176.42
1.00176.42
1.00176.42
1.00176.42
1.00189.06
1.00189.06
1.00189.06
1.00189.06
1.00189.06
1.00189.06
1.00189.06
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00275.87
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00165.94
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00190.63
1.00159.87
1.00159.87
1.00159.87
1.00159.87
1.00159.87
1.00159.87
1.00137.76
1.00137.76
1.00137.76
1.00137.76
1.00137.76
1.00137.76
1.00137.76
1.00137.76
1.00145.15
1.00145.15
1.00145.15
1.00145.15
1.00145.15
1.00145.15
1.00145.15
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CD
CB
ILE
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
181
182
182
182
182
182
182
182
182
183
183
183
183
183
183
183
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
187
187
187
187
187
187
187
187
188
188
188
188
188
188
189
189
189
189
189
189
190
190
190
190
190
190
190
191
191
191
191
191
191
191
191
192
192
192
192
8.210
7.485
7.329
6.661
7.662
8.866
7.167
6.545
5.477
7.163
6.611
8.614
7.777
8.935
5.430
4.661
5.249
4.161
4.589
5.565
5.934
5.034
3.184
3.499
1.931
0.934
-0.457
-0.888
-2.370
-0.524
1.292
1.313
1.636
1.966
3.254
4.375
0.825
1.014
-0.393
-1.561
-2.805
-2.836
-3.030
-1.608
-1.930
-1.813
-2.373
-2.794
-1.637
-0.806
-3.581
-3.835
-4.005
-4.703
-5.108
-6.001
-3.703
-4.026
-2.430
-1.352
-1.075
-0.001
-0.825
-0.170
-0.226
0.942
2.123
1.888
1.735
2.454
0.910
2.713
2.260
3.726
4.363
4.694
5.690
-33.530
-31.441
-31.058
-29.686
-28.742
-28.975
-27.664
-32.089
-32.553
-32.481
-33.492
-32.458
-34.031
-33.049
-33.104
-33.988
-31.813
-31.510
-30.757
-31.565
-30.806
-32.980
-30.665
-30.050
-30.672
-29.870
-30.174
-31.629
-31.847
-32.075
-28.434
-27.624
-28.101
-26.752
-26.217
-26.968
-25.912
-24.771
-26.489
-25.753
-26.602
-27.168
-26.040
-28.020
-24.865
-25.222
-23.653
-22.688
-21.906
-22.781
-21.714
-21.928
-20.615
-19.628
-18.409
-17.151
-19.182
-18.878
-19.163
-18.717
-17.247
-16.819
-16.935
-19.551
-20.777
-18.904
-19.630
-20.833
-20.251
-19.258
-20.783
-20.038
-19.595
-20.843
-21.155
-20.791
-21.815
1.720
1.253
2.621
2.758
2.118
2.202
1.452
3.362
2.962
4.440
5.299
4.502
6.134
5.882
6.122
6.495
6.435
7.310
8.581
9.462
10.746
9.739
6.575
5.559
7.050
6.423
6.999
6.733
7.073
5.307
6.653
5.727
7.912
8.266
7.619
8.061
7.810
7.390
7.855
7.479
7.137
5.702
4.679
5.376
8.609
9.781
8.253
9.212
9.861
10.610
8.417
7.233
9.054
8.299
9.145
8.184
7.294
6.145
7.729
6.913
7.114
6.291
8.601
7.263
7.172
7.655
7.973
8.908
10.302
10.597
11.090
6.673
5.620
6.702
5.460
7.791
5.825
S53
1.00145.15
1.00 86.48
1.00 86.48
1.00 86.48
1.00 86.48
1.00 86.48
1.00 86.48
1.00 86.48
1.00 86.48
1.00115.13
1.00115.13
1.00115.13
1.00115.13
1.00115.13
1.00115.13
1.00115.13
1.00 63.45
1.00 63.45
1.00 63.45
1.00 63.45
1.00 63.45
1.00 63.45
1.00 63.45
1.00 63.45
1.00 80.97
1.00 80.97
1.00 80.97
1.00 80.97
1.00 80.97
1.00 80.97
1.00 80.97
1.00 80.97
1.00184.68
1.00184.68
1.00184.68
1.00184.68
1.00184.68
1.00184.68
1.00264.73
1.00264.73
1.00264.73
1.00264.73
1.00264.73
1.00264.73
1.00264.73
1.00264.73
1.00209.70
1.00209.70
1.00209.70
1.00209.70
1.00209.70
1.00209.70
1.00133.23
1.00133.23
1.00133.23
1.00133.23
1.00133.23
1.00133.23
1.00288.36
1.00288.36
1.00288.36
1.00288.36
1.00288.36
1.00288.36
1.00288.36
1.00204.38
1.00204.38
1.00204.38
1.00204.38
1.00204.38
1.00204.38
1.00204.38
1.00204.38
1.00188.91
1.00188.91
1.00188.91
1.00188.91
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
S
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
192
192
192
193
193
193
193
193
193
193
193
193
193
193
194
194
194
194
194
194
194
195
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
200
200
200
200
200
200
200
200
200
200
200
201
201
201
201
201
6.052
3.570
3.936
2.488
1.829
1.147
-0.193
-1.255
-0.397
-2.504
-1.644
-2.697
2.848
2.955
3.637
4.665
5.436
6.601
4.526
3.985
4.528
2.736
1.932
0.508
-0.233
-0.028
-1.127
1.819
1.573
2.013
1.835
2.216
1.334
-0.119
-0.684
-0.682
2.684
2.266
3.889
4.719
6.092
6.916
7.155
8.223
4.024
4.096
3.332
2.672
1.977
3.039
0.923
1.648
1.532
0.844
-0.201
-1.257
-1.861
-0.692
-1.780
0.242
-0.029
0.940
1.197
1.702
1.713
0.546
2.877
0.534
2.873
1.701
2.173
1.824
3.417
4.426
5.795
6.752
5.970
-21.152
-21.905
-21.803
-22.621
-23.414
-22.614
-22.160
-23.035
-20.880
-22.643
-20.481
-21.364
-24.304
-24.394
-24.994
-25.852
-26.505
-27.137
-27.528
-26.901
-27.398
-27.217
-28.224
-28.274
-29.445
-30.599
-29.137
-27.894
-28.773
-26.613
-26.125
-24.635
-23.643
-23.861
-24.914
-22.980
-26.879
-27.046
-27.353
-27.960
-28.437
-29.061
-28.041
-29.684
-29.138
-29.346
-29.955
-31.063
-31.967
-32.609
-31.172
-30.532
-31.017
-29.538
-29.089
-28.314
-29.258
-27.028
-26.045
-28.254
-28.605
-27.126
-26.192
-24.831
-23.900
-23.298
-23.624
-22.437
-22.762
-22.167
-26.676
-26.818
-26.979
-27.261
-27.215
-27.187
-25.921
7.165
4.444
3.274
4.819
3.818
2.692
3.157
3.116
3.615
3.532
4.033
3.992
3.185
1.965
4.018
3.518
4.626
4.123
5.312
2.696
1.710
3.072
2.448
3.027
2.399
2.772
1.422
0.992
0.172
0.631
-0.708
-0.869
-0.100
-0.494
-0.099
-1.197
-1.689
-2.830
-1.316
-2.324
-1.827
-2.969
-4.092
-2.455
-2.929
-4.139
-2.121
-2.737
-1.754
-0.853
-0.971
-3.692
-4.814
-3.272
-4.143
-3.402
-2.354
-2.777
-2.353
-5.317
-6.463
-5.068
-6.128
-5.615
-6.778
-7.189
-7.459
-8.258
-8.531
-8.932
-7.151
-8.321
-6.735
-7.708
-7.117
-8.307
-6.305
S54
1.00188.91
1.00188.91
1.00188.91
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00226.41
1.00141.03
1.00141.03
1.00141.03
1.00141.03
1.00141.03
1.00141.03
1.00141.03
1.00107.78
1.00107.78
1.00107.78
1.00107.78
1.00107.78
1.00107.78
1.00107.78
1.00107.78
1.00105.84
1.00105.84
1.00105.84
1.00105.84
1.00105.84
1.00105.84
1.00105.84
1.00105.84
1.00105.84
1.00 62.85
1.00 62.85
1.00 62.85
1.00 62.85
1.00 62.85
1.00 62.85
1.00 62.85
1.00 62.85
1.00113.52
1.00113.52
1.00113.52
1.00113.52
1.00113.52
1.00113.52
1.00113.52
1.00 77.94
1.00 77.94
1.00 77.94
1.00 77.94
1.00 77.94
1.00 77.94
1.00 77.94
1.00 77.94
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00166.11
1.00139.95
1.00139.95
1.00139.95
1.00139.95
1.00139.95
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
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
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
201
201
201
202
202
202
202
202
202
202
203
203
203
203
204
204
204
204
205
205
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
210
210
210
210
210
210
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
213
213
213
5.844
4.181
4.256
3.925
3.721
3.968
2.998
5.375
2.361
2.245
1.284
-0.031
-0.363
-0.800
-0.165
-0.526
0.349
-0.121
1.663
2.513
4.013
4.400
4.197
3.605
2.250
2.267
2.065
1.846
2.020
1.028
3.416
0.479
0.343
-0.592
-1.826
-2.891
-3.460
-3.208
-4.353
-4.563
-5.890
-5.930
-6.163
-4.172
-5.021
-3.068
-3.016
-1.938
-1.835
-2.202
-1.015
-2.739
-3.546
-1.586
-1.100
0.373
1.004
-1.871
-2.242
-2.149
-2.731
-3.058
-3.826
-1.765
-4.033
-4.274
-4.910
-6.206
-7.136
-7.503
-6.271
-8.669
-6.081
-6.737
-5.220
-5.142
-4.157
-24.657
-28.578
-28.668
-29.659
-30.894
-32.141
-32.289
-32.061
-30.999
-31.253
-30.794
-31.011
-29.998
-30.339
-28.710
-27.652
-27.657
-27.476
-27.850
-27.736
-27.692
-26.339
-25.198
-26.068
-28.813
-28.554
-30.061
-31.171
-32.481
-32.626
-32.508
-31.203
-31.280
-31.063
-31.446
-30.419
-30.044
-29.957
-29.113
-28.666
-27.936
-27.566
-26.705
-27.905
-27.619
-27.160
-25.997
-25.034
-23.943
-24.489
-23.725
-26.337
-26.071
-26.984
-27.168
-27.611
-27.814
-28.146
-27.845
-29.339
-30.370
-31.623
-32.573
-32.237
-29.893
-29.968
-29.385
-28.955
-28.558
-29.737
-30.265
-29.377
-27.758
-27.664
-26.802
-25.601
-24.559
-7.154
-8.377
-9.601
-7.609
-8.313
-7.510
-6.491
-6.896
-8.943
-10.140
-8.158
-8.699
-9.746
-10.844
-9.415
-10.310
-11.518
-12.639
-11.330
-12.477
-12.153
-11.534
-12.537
-10.259
-13.473
-14.675
-13.007
-13.887
-13.177
-12.170
-12.534
-14.493
-15.710
-13.689
-14.310
-14.220
-15.245
-12.997
-12.859
-11.393
-11.055
-9.562
-11.932
-13.714
-14.555
-13.552
-14.382
-13.969
-15.049
-12.557
-11.971
-15.814
-16.702
-16.058
-17.397
-17.433
-19.126
-18.217
-19.352
-17.661
-18.471
-17.709
-18.644
-17.161
-19.014
-20.218
-18.130
-18.562
-17.405
-16.489
-15.738
-15.556
-19.443
-20.479
-19.060
-19.834
-19.277
S55
1.00139.95
1.00139.95
1.00139.95
1.00158.44
1.00158.44
1.00158.44
1.00158.44
1.00158.44
1.00158.44
1.00158.44
1.00116.52
1.00116.52
1.00116.52
1.00116.52
1.00108.86
1.00108.86
1.00108.86
1.00108.86
1.00119.29
1.00119.29
1.00119.29
1.00119.29
1.00119.29
1.00119.29
1.00119.29
1.00119.29
1.00160.69
1.00160.69
1.00160.69
1.00160.69
1.00160.69
1.00160.69
1.00160.69
1.00 95.95
1.00 95.95
1.00 95.95
1.00 95.95
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00 95.64
1.00 95.64
1.00 95.64
1.00 95.64
1.00 95.64
1.00 95.64
1.00 48.01
1.00 48.01
1.00 48.01
1.00 48.01
1.00 48.01
1.00 48.01
1.00 48.01
1.00 77.10
1.00 77.10
1.00 77.10
1.00 77.10
1.00 77.10
1.00 77.10
1.00 77.10
1.00 77.10
1.00 31.81
1.00 31.81
1.00 31.81
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1660
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
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
213
213
213
214
214
214
214
214
214
214
214
215
215
215
215
215
215
215
215
216
216
216
216
216
216
216
216
217
217
217
217
217
217
218
218
218
218
218
218
218
218
218
218
218
218
219
219
219
219
219
219
219
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
222
222
222
222
222
-4.774
-4.685
-5.215
-3.686
-3.205
-2.004
-0.739
0.463
-0.460
-4.300
-4.568
-5.010
-6.004
-6.671
-7.418
-7.565
-8.067
-7.060
-7.522
-7.480
-8.512
-8.992
-7.867
-10.298
-11.464
-7.998
-8.698
-6.742
-6.135
-4.796
-3.846
-5.878
-5.750
-5.817
-5.505
-5.507
-4.205
-3.111
-4.059
-1.891
-2.841
-1.754
-0.504
-6.510
-6.154
-7.798
-8.779
-10.180
-10.291
-10.543
-8.459
-8.536
-8.071
-7.777
-7.424
-8.673
-9.733
-8.547
-6.600
-6.643
-5.516
-4.318
-3.168
-2.801
-3.555
-4.566
-4.087
-5.348
-5.616
-6.404
-5.403
-4.676
-5.191
-3.744
-4.258
-3.532
-6.345
-23.721
-25.931
-25.408
-26.817
-27.066
-28.025
-27.442
-28.380
-26.014
-27.657
-27.185
-28.664
-29.322
-30.482
-29.962
-31.240
-32.588
-28.343
-28.337
-27.486
-26.547
-25.766
-24.834
-25.031
-25.972
-25.605
-25.289
-25.146
-24.213
-23.661
-24.708
-24.865
-24.176
-26.211
-26.858
-28.402
-28.919
-28.919
-29.400
-29.385
-29.870
-29.862
-30.342
-26.469
-26.186
-26.438
-26.091
-26.065
-25.094
-27.464
-24.714
-24.432
-23.820
-22.469
-21.578
-21.403
-21.946
-20.606
-22.438
-21.786
-23.154
-23.125
-23.847
-23.123
-25.319
-23.748
-23.254
-24.841
-25.573
-26.880
-27.939
-28.476
-28.398
-29.458
-29.383
-29.912
-24.734
-17.787
-21.211
-22.190
-21.338
-22.659
-22.706
-22.051
-22.230
-22.545
-23.474
-24.574
-22.931
-23.727
-23.043
-21.808
-24.043
-23.528
-24.108
-25.248
-23.161
-23.477
-22.280
-21.799
-22.620
-22.918
-24.526
-25.487
-24.370
-25.274
-24.752
-24.612
-26.598
-27.609
-26.646
-27.889
-27.875
-27.364
-28.197
-26.085
-27.769
-25.647
-26.488
-26.043
-28.912
-30.053
-28.538
-29.519
-28.980
-27.949
-28.450
-30.000
-31.194
-29.073
-29.450
-28.247
-27.396
-27.701
-26.302
-30.378
-31.420
-30.025
-30.816
-30.175
-28.870
-29.981
-32.156
-33.175
-32.186
-33.391
-33.202
-32.905
-33.942
-31.628
-33.717
-31.397
-32.438
-34.375
S56
1.00 31.81
1.00 31.81
1.00 31.81
1.00 49.62
1.00 49.62
1.00 49.62
1.00 49.62
1.00 49.62
1.00 49.62
1.00 49.62
1.00 49.62
1.00 81.20
1.00 81.20
1.00 81.20
1.00 81.20
1.00 81.20
1.00 81.20
1.00 81.20
1.00 81.20
1.00110.05
1.00110.05
1.00110.05
1.00110.05
1.00110.05
1.00110.05
1.00110.05
1.00110.05
1.00 36.13
1.00 36.13
1.00 36.13
1.00 36.13
1.00 36.13
1.00 36.13
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00116.04
1.00 96.24
1.00 96.24
1.00 96.24
1.00 96.24
1.00 96.24
1.00 96.24
1.00 96.24
1.00 34.30
1.00 34.30
1.00 34.30
1.00 34.30
1.00 34.30
1.00 34.30
1.00 34.30
1.00 34.30
1.00 91.99
1.00 91.99
1.00 91.99
1.00 91.99
1.00 91.99
1.00 91.99
1.00 91.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
1.00 69.99
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
C
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
222
223
223
223
223
223
223
224
224
224
224
224
224
224
225
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
230
230
230
230
230
230
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
-6.248
-7.133
-7.885
-8.671
-7.783
-6.954
-7.200
-5.864
-4.953
-3.962
-3.085
-3.180
-4.209
-4.276
-3.500
-2.755
-1.292
-1.146
-0.507
1.006
-3.338
-2.804
-4.499
-5.139
-6.610
-7.475
-8.930
-6.957
-4.400
-4.145
-4.024
-3.546
-3.324
-2.854
-3.934
-4.199
-3.020
-2.275
-2.258
-1.165
-0.033
0.997
0.313
1.624
0.622
0.638
1.333
0.373
1.150
-0.999
0.315
-1.131
2.427
3.409
2.453
3.583
3.436
3.342
4.835
4.857
5.917
7.206
7.193
8.016
7.481
9.345
10.125
11.593
11.741
11.160
11.705
10.013
10.069
11.075
8.847
8.653
8.706
-24.986
-23.751
-22.967
-21.823
-20.882
-22.370
-22.487
-21.709
-21.149
-20.216
-19.688
-20.950
-22.221
-22.279
-23.123
-24.133
-24.102
-24.167
-25.174
-24.986
-25.462
-26.215
-25.765
-27.022
-26.984
-28.253
-27.943
-29.479
-28.067
-29.163
-27.693
-28.561
-27.793
-28.664
-29.605
-30.804
-31.697
-29.290
-30.517
-28.611
-29.482
-29.086
-29.169
-27.708
-26.556
-29.618
-28.721
-30.727
-31.066
-31.195
-32.056
-31.735
-31.670
-31.665
-32.176
-32.944
-33.503
-32.434
-32.143
-30.947
-32.819
-32.210
-30.804
-33.058
-33.878
-32.878
-33.635
-33.772
-34.515
-35.912
-36.737
-36.182
-32.852
-32.345
-32.742
-32.045
-30.580
-35.573
-33.911
-34.845
-34.180
-33.595
-35.861
-37.061
-35.424
-36.382
-35.744
-36.727
-34.639
-37.128
-38.355
-36.412
-37.107
-36.745
-35.215
-37.513
-37.409
-36.759
-35.947
-37.354
-37.128
-37.600
-37.409
-37.795
-38.183
-37.898
-37.402
-39.136
-40.171
-41.484
-42.650
-43.181
-42.271
-42.266
-39.903
-39.959
-39.578
-39.614
-40.643
-42.019
-40.349
-40.324
-38.298
-37.822
-37.669
-36.520
-37.544
-35.712
-36.115
-36.999
-36.264
-38.244
-38.675
-40.099
-41.027
-38.607
-38.894
-38.171
-38.088
-37.467
-37.200
-36.453
-37.251
-36.336
-36.760
-38.087
-37.909
-37.178
-38.589
-35.076
-34.582
-34.529
-33.306
-33.570
S57
1.00 69.99
1.00 41.46
1.00 41.46
1.00 41.46
1.00 41.46
1.00 41.46
1.00 41.46
1.00126.29
1.00126.29
1.00126.29
1.00126.29
1.00126.29
1.00126.29
1.00126.29
1.00122.54
1.00122.54
1.00122.54
1.00122.54
1.00122.54
1.00122.54
1.00122.54
1.00122.54
1.00116.61
1.00116.61
1.00116.61
1.00116.61
1.00116.61
1.00116.61
1.00116.61
1.00116.61
1.00178.38
1.00178.38
1.00178.38
1.00178.38
1.00178.38
1.00178.38
1.00178.38
1.00178.38
1.00178.38
1.00197.84
1.00197.84
1.00197.84
1.00197.84
1.00197.84
1.00197.84
1.00197.84
1.00197.84
1.00225.85
1.00225.85
1.00225.85
1.00225.85
1.00225.85
1.00225.85
1.00225.85
1.00149.80
1.00149.80
1.00149.80
1.00149.80
1.00149.80
1.00149.80
1.00319.56
1.00319.56
1.00319.56
1.00319.56
1.00319.56
1.00227.53
1.00227.53
1.00227.53
1.00227.53
1.00227.53
1.00227.53
1.00227.53
1.00227.53
1.00227.53
1.00219.48
1.00219.48
1.00219.48
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
233
234
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
235
235
235
235
236
236
236
236
236
236
236
236
236
237
237
237
237
237
238
238
238
238
238
238
238
238
238
238
238
239
239
239
239
239
239
240
240
240
240
240
240
240
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
8.821
8.618
8.670
8.594
9.842
11.131
11.068
12.219
7.487
7.590
6.327
5.136
4.209
4.962
4.135
5.088
5.507
5.016
6.429
4.418
3.734
4.605
3.965
4.395
3.534
3.674
2.854
3.345
4.383
3.622
5.606
6.178
7.538
5.253
5.143
4.546
3.712
2.943
2.369
1.114
3.094
0.588
2.573
1.318
2.703
2.507
2.030
1.041
0.343
-0.623
1.715
1.220
2.891
3.615
4.878
4.590
5.551
4.028
4.019
4.390
4.924
5.169
5.970
3.928
4.276
2.651
1.641
0.277
0.379
1.479
1.269
1.586
1.388
1.438
0.345
2.449
2.156
-29.789
-30.160
-28.748
-28.358
-28.738
-28.137
-26.620
-26.158
-28.156
-27.115
-28.829
-28.301
-27.720
-26.707
-26.010
-25.143
-23.968
-23.573
-23.198
-29.431
-29.237
-30.654
-31.859
-33.083
-34.343
-35.104
-36.399
-37.315
-32.117
-32.659
-31.686
-31.976
-31.294
-31.495
-32.125
-30.381
-29.809
-28.593
-27.817
-28.103
-26.796
-27.379
-26.068
-26.362
-30.823
-31.016
-31.507
-32.474
-33.130
-34.070
-33.572
-34.030
-33.998
-35.095
-35.398
-35.682
-36.609
-34.747
-35.593
-33.476
-33.050
-31.532
-30.982
-33.389
-33.986
-33.041
-33.317
-32.718
-31.302
-34.801
-35.322
-35.522
-36.944
-37.544
-37.072
-37.622
-38.530
-32.636
-34.844
-35.074
-36.561
-37.363
-36.801
-36.623
-35.816
-34.387
-33.739
-34.502
-33.909
-34.985
-35.849
-36.927
-37.674
-37.122
-35.910
-37.770
-33.236
-32.233
-33.767
-33.314
-34.149
-34.004
-32.685
-32.669
-31.616
-31.907
-31.106
-31.566
-30.289
-30.071
-29.223
-28.178
-29.452
-28.433
-28.976
-27.844
-27.361
-27.271
-26.317
-26.227
-25.750
-27.981
-26.782
-28.926
-28.537
-29.740
-29.294
-27.777
-26.748
-28.268
-27.700
-28.444
-29.804
-27.777
-26.313
-25.423
-26.093
-24.840
-24.812
-23.279
-23.781
-22.764
-24.007
-23.031
-23.409
-23.472
-22.915
-21.821
-24.048
-24.053
-25.470
-26.245
-23.237
-22.467
S58
1.00219.48
1.00185.45
1.00185.45
1.00185.45
1.00185.45
1.00185.45
1.00185.45
1.00185.45
1.00185.45
1.00185.45
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00163.13
1.00126.30
1.00126.30
1.00126.30
1.00126.30
1.00126.30
1.00126.30
1.00126.30
1.00126.30
1.00126.30
1.00 52.55
1.00 52.55
1.00 52.55
1.00 52.55
1.00 52.55
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00116.13
1.00 75.53
1.00 75.53
1.00 75.53
1.00 75.53
1.00 75.53
1.00 75.53
1.00 44.82
1.00 44.82
1.00 44.82
1.00 44.82
1.00 44.82
1.00 44.82
1.00 44.82
1.00 78.90
1.00 78.90
1.00 78.90
1.00 78.90
1.00 78.90
1.00 78.90
1.00 71.57
1.00 71.57
1.00 71.57
1.00 71.57
1.00 71.57
1.00 71.57
1.00 75.63
1.00 75.63
1.00 75.63
1.00 75.63
1.00 75.63
1.00 75.63
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
S
C
O
N
C
C
O
C
O
N
C
C
O
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900
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
1961
1962
1963
1964
1965
1966
1967
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
244
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
245
246
246
246
246
246
246
247
247
247
247
247
247
247
248
248
248
248
248
248
248
249
249
249
249
249
249
250
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
252
252
252
252
253
253
253
3.715
4.838
7.649
7.405
6.143
9.476
8.531
8.902
4.663
4.865
4.276
4.123
3.705
4.711
4.269
6.142
3.023
3.138
1.932
0.780
-0.369
-0.808
1.149
0.759
1.904
2.248
2.950
1.989
4.281
3.129
2.931
4.120
5.035
6.049
6.870
6.890
4.240
4.458
3.288
2.459
1.654
0.679
1.484
0.906
1.253
0.289
0.133
-0.517
-0.628
-1.867
0.793
0.048
2.077
2.713
3.978
3.536
3.316
3.334
2.909
2.927
2.716
3.101
2.975
3.613
4.216
4.753
6.021
7.203
6.054
8.409
7.261
8.437
3.201
3.464
2.005
1.018
0.519
-37.196
-37.790
-37.788
-37.643
-37.072
-38.491
-38.075
-38.299
-37.615
-38.541
-36.400
-36.156
-34.704
-33.663
-32.231
-33.975
-37.049
-37.691
-37.126
-37.892
-37.788
-36.443
-39.340
-40.026
-39.855
-41.247
-41.698
-41.511
-40.942
-41.527
-42.506
-40.648
-40.829
-39.725
-39.897
-39.747
-40.795
-41.596
-39.847
-39.647
-38.334
-38.372
-40.773
-40.970
-41.537
-42.592
-43.440
-42.710
-43.648
-42.081
-43.513
-43.916
-43.896
-44.730
-45.405
-46.363
-45.940
-47.686
-46.827
-48.578
-48.149
-43.947
-44.421
-42.724
-41.854
-40.610
-40.139
-40.670
-39.190
-40.271
-38.786
-39.328
-41.375
-41.351
-40.981
-40.333
-41.181
-23.383
-22.710
-21.181
-22.529
-23.105
-22.239
-23.159
-21.065
-21.238
-20.454
-20.821
-19.420
-19.125
-19.654
-19.313
-19.193
-18.939
-17.896
-19.723
-19.348
-20.368
-20.480
-19.259
-18.317
-20.246
-20.250
-21.504
-22.692
-21.641
-19.077
-18.360
-18.840
-17.757
-17.685
-16.395
-18.974
-16.494
-15.585
-16.423
-15.273
-15.310
-16.340
-15.154
-14.087
-16.241
-16.128
-17.406
-18.596
-19.812
-18.202
-15.074
-14.183
-15.184
-14.206
-14.745
-15.795
-17.086
-15.483
-18.056
-16.446
-17.734
-12.986
-11.861
-13.211
-12.237
-12.964
-12.348
-12.809
-11.354
-12.291
-10.832
-11.295
-11.234
-10.033
-11.715
-10.893
-9.755
S59
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00 88.63
1.00141.77
1.00141.77
1.00141.77
1.00141.77
1.00141.77
1.00141.77
1.00141.77
1.00141.77
1.00 74.01
1.00 74.01
1.00 74.01
1.00 74.01
1.00 74.01
1.00 74.01
1.00 90.53
1.00 90.53
1.00 90.53
1.00 90.53
1.00 90.53
1.00 90.53
1.00 90.53
1.00 33.72
1.00 33.72
1.00 33.72
1.00 33.72
1.00 33.72
1.00 33.72
1.00 33.72
1.00 47.32
1.00 47.32
1.00 47.32
1.00 47.32
1.00 47.32
1.00 47.32
1.00140.51
1.00140.51
1.00140.51
1.00140.51
1.00140.51
1.00140.51
1.00140.51
1.00140.51
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00108.97
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00138.88
1.00 41.25
1.00 41.25
1.00 41.25
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
2043
2044
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
GLY
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
253
254
254
254
254
254
254
254
255
255
255
255
255
255
256
256
256
256
256
256
256
256
256
256
256
257
257
257
257
257
257
258
258
258
258
258
258
258
259
259
259
259
259
259
259
259
260
260
260
260
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
263
263
263
263
263
263
263
264
0.443
0.151
-0.425
-0.830
-1.786
-1.415
0.579
0.293
1.798
2.815
4.132
4.703
3.114
3.074
3.405
3.751
4.255
5.723
6.244
6.583
7.606
7.943
8.456
2.619
2.843
1.388
0.294
-1.032
-2.413
0.098
0.043
0.028
-0.206
-0.314
1.030
-0.755
0.948
0.791
2.145
3.370
4.636
5.022
4.675
5.668
3.351
3.983
2.689
2.733
2.038
2.722
4.028
2.031
4.637
2.635
3.945
2.007
2.510
0.821
0.054
-1.305
-2.151
0.812
0.941
1.359
1.985
2.281
2.799
3.187
3.222
4.186
5.169
4.954
6.364
6.173
4.679
5.405
3.491
-40.701 -8.628
-42.455 -9.999
-43.256 -8.947
-44.626 -9.418
-44.530 -10.463
-45.413 -8.231
-43.472 -7.868
-43.291 -6.684
-43.866 -8.269
-44.164 -7.314
-44.631 -7.965
-43.581 -8.734
-42.927 -6.545
-42.949 -5.320
-41.807 -7.230
-40.591 -6.549
-39.467 -7.471
-39.672 -7.619
-40.556 -8.535
-38.961 -6.813
-40.722 -8.638
-39.122 -6.912
-40.005 -7.830
-40.056 -5.746
-39.593 -4.630
-40.055 -6.277
-39.522 -5.517
-39.543 -6.295
-38.874 -5.323
-40.358 -4.294
-39.854 -3.172
-41.686 -4.480
-42.540 -3.360
-43.992 -3.723
-44.468 -4.297
-44.764 -2.468
-42.371 -2.440
-42.411 -1.227
-42.193 -3.020
-42.017 -2.300
-42.024 -3.180
-43.469 -3.476
-44.358 -2.653
-43.701 -4.533
-40.721 -1.554
-40.604 -0.517
-39.667 -2.049
-38.486 -1.245
-37.260 -1.870
-36.918 -3.151
-36.484 -3.169
-36.996 -4.339
-36.166 -4.362
-36.677 -5.533
-36.267 -5.546
-38.817
0.011
-38.618
1.115
-39.419 -0.145
-39.747
1.013
-40.386
0.669
-39.452
0.013
-40.739
1.859
-40.574
3.073
-41.794
1.228
-42.864
1.953
-44.105
1.081
-43.744 -0.191
-42.408
2.734
-42.675
3.930
-41.767
2.184
-41.258
3.091
-42.532
1.218
-40.833
2.234
-41.635
0.931
-40.250
4.071
-39.991
5.031
-39.652
3.860
S60
1.00 41.25
1.00 38.94
1.00 38.94
1.00 38.94
1.00 38.94
1.00 38.94
1.00 38.94
1.00 38.94
1.00 43.94
1.00 43.94
1.00 43.94
1.00 43.94
1.00 43.94
1.00 43.94
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 70.91
1.00 46.75
1.00 46.75
1.00 46.75
1.00 46.75
1.00 46.75
1.00 46.75
1.00 90.01
1.00 90.01
1.00 90.01
1.00 90.01
1.00 90.01
1.00 90.01
1.00 90.01
1.00 78.34
1.00 78.34
1.00 78.34
1.00 78.34
1.00 78.34
1.00 78.34
1.00 78.34
1.00 78.34
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00111.36
1.00103.06
1.00103.06
1.00103.06
1.00103.06
1.00103.06
1.00103.06
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00 86.09
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00148.85
1.00115.98
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
264
264
264
264
264
265
265
265
265
265
265
265
266
266
266
266
266
266
266
266
266
266
267
267
267
267
267
267
268
268
268
268
268
269
269
269
269
269
269
269
269
269
270
270
270
270
270
270
270
270
270
271
271
271
271
271
271
271
271
272
272
272
272
272
272
272
273
273
273
273
273
273
273
274
274
274
274
2.977
1.594
1.689
2.825
2.987
2.511
2.474
1.655
0.308
1.723
3.898
4.355
4.624
6.053
8.794
8.060
6.566
10.246
8.963
10.095
6.571
7.485
6.006
6.616
5.901
6.016
6.624
7.408
5.772
5.650
4.669
6.989
7.906
7.126
8.376
8.344
8.030
8.070
8.645
7.450
8.781
7.959
10.094
10.591
11.582
10.956
11.963
11.322
10.540
11.284
11.874
11.169
11.786
10.852
9.841
10.233
8.663
12.967
13.540
13.349
14.456
15.677
16.794
15.400
14.017
12.829
14.966
14.759
16.053
16.672
16.971
13.988
14.546
12.649
11.743
10.278
11.841
-38.791
4.883
-38.204
4.563
-37.294
3.478
-39.698
6.055
-39.294
7.204
-40.976
5.766
-42.004
6.768
-43.200
6.371
-42.820
6.128
-44.246
7.496
-42.471
6.865
-43.315
6.101
-41.958
7.865
-42.086
7.990
-40.202
8.870
-41.268
9.337
-41.357
9.243
-41.633
9.757
-42.136
9.875
-40.471
9.148
-43.495
8.064
-43.846
7.322
-44.362
8.919
-45.646
9.138
-46.457 10.224
-45.780 11.466
-46.452
7.881
-47.390
7.742
-46.085
6.912
-46.831
5.695
-46.199
4.694
-46.921
5.035
-46.151
5.319
-47.909
4.130
-48.167
3.486
-49.388
2.550
-50.691
3.291
-51.834
2.286
-51.709
1.206
-52.986
2.655
-46.966
2.707
-46.113
2.380
-46.854
2.433
-45.710
1.736
-44.917
2.601
-44.476
3.930
-44.112
5.024
-43.773
6.374
-42.521
6.271
-46.195
0.498
-47.274
0.478
-45.415 -0.595
-45.754 -1.845
-45.593 -3.055
-46.731 -3.019
-47.858 -2.611
-46.490 -3.391
-44.865 -2.075
-44.298 -1.146
-44.755 -3.366
-43.964 -3.830
-44.780 -4.149
-43.929 -4.363
-45.636 -5.398
-43.235 -5.083
-42.958 -5.228
-42.912 -6.009
-42.101 -7.192
-41.601 -7.770
-40.623 -6.760
-42.797 -8.084
-42.767 -8.306
-43.366 -9.225
-42.632 -8.261
-43.107 -9.273
-43.062 -8.806
-42.276 -10.523
S61
1.00115.98
1.00115.98
1.00115.98
1.00115.98
1.00115.98
1.00179.81
1.00179.81
1.00179.81
1.00179.81
1.00179.81
1.00179.81
1.00179.81
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00205.83
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00 67.25
1.00 52.17
1.00 52.17
1.00 52.17
1.00 52.17
1.00 52.17
1.00 97.23
1.00 97.23
1.00 97.23
1.00 97.23
1.00 97.23
1.00 97.23
1.00 97.23
1.00 97.23
1.00 97.23
1.00283.45
1.00283.45
1.00283.45
1.00283.45
1.00283.45
1.00283.45
1.00283.45
1.00283.45
1.00283.45
1.00184.73
1.00184.73
1.00184.73
1.00184.73
1.00184.73
1.00184.73
1.00184.73
1.00184.73
1.00207.02
1.00207.02
1.00207.02
1.00207.02
1.00207.02
1.00207.02
1.00207.02
1.00244.01
1.00244.01
1.00244.01
1.00244.01
1.00244.01
1.00244.01
1.00244.01
1.00 78.05
1.00 78.05
1.00 78.05
1.00 78.05
C
C
O
C
O
N
C
C
O
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
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
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
ALA
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
274
275
275
275
275
275
275
276
276
276
276
276
276
276
277
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
280
280
280
280
280
280
280
281
281
281
281
281
281
281
282
282
282
282
282
282
282
283
283
283
283
283
283
283
284
284
284
284
284
284
284
284
11.754
11.999
12.002
12.105
12.078
13.183
13.137
14.288
15.457
16.610
17.813
16.876
15.122
15.404
14.473
14.165
13.519
13.377
12.153
12.151
13.220
13.391
12.203
11.224
10.041
9.122
9.337
8.024
8.468
7.152
7.375
6.481
11.865
11.439
12.921
13.517
14.697
14.912
15.941
13.979
14.091
14.273
14.738
14.931
15.347
15.950
13.716
14.042
12.435
11.388
10.016
9.883
8.988
11.649
11.173
12.422
12.708
13.659
13.091
13.954
13.302
13.159
14.089
14.519
15.179
15.863
16.428
13.559
13.853
12.538
11.571
10.828
9.931
9.090
8.506
10.536
10.258
-42.798
-40.944
-40.053
-38.570
-37.765
-40.359
-40.202
-40.790
-41.099
-41.511
-41.838
-40.398
-42.255
-42.226
-43.303
-44.496
-45.586
-46.963
-47.077
-48.894
-44.183
-44.664
-43.347
-43.007
-42.186
-43.126
-43.510
-43.631
-44.377
-44.496
-44.872
-45.760
-42.268
-42.399
-41.484
-40.655
-39.842
-38.766
-40.744
-41.509
-41.033
-42.793
-43.702
-45.091
-46.011
-45.036
-43.764
-44.070
-43.510
-43.535
-43.331
-41.876
-43.738
-42.451
-42.504
-41.428
-40.311
-39.351
-38.856
-38.190
-40.837
-40.208
-41.875
-42.522
-41.807
-43.176
-42.330
-43.493
-43.912
-44.009
-44.938
-45.682
-46.831
-47.697
-49.078
-44.288
-44.730
-11.634
-10.369
-11.500
-11.123
-12.293
-12.351
-13.570
-11.724
-12.486
-11.616
-12.511
-10.594
-13.384
-14.580
-12.830
-13.576
-12.699
-13.360
-14.699
-14.725
-14.695
-15.814
-14.423
-15.413
-14.869
-14.158
-12.852
-14.817
-12.226
-14.200
-12.899
-12.264
-16.547
-17.693
-16.270
-17.283
-16.831
-17.734
-16.816
-18.421
-19.547
-18.158
-19.168
-18.635
-19.793
-17.483
-20.269
-21.414
-19.948
-20.934
-20.364
-19.890
-21.432
-21.936
-23.070
-21.538
-22.391
-21.732
-20.528
-22.684
-23.668
-24.715
-23.596
-24.815
-22.630
-24.501
-23.351
-25.449
-26.561
-24.730
-25.276
-24.152
-24.612
-23.251
-24.274
-26.147
-27.261
S62
1.00 78.05
1.00 81.41
1.00 81.41
1.00 81.41
1.00 81.41
1.00 81.41
1.00 81.41
1.00 42.26
1.00 42.26
1.00 42.26
1.00 42.26
1.00 42.26
1.00 42.26
1.00 42.26
1.00145.52
1.00145.52
1.00145.52
1.00145.52
1.00145.52
1.00145.52
1.00145.52
1.00145.52
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00118.64
1.00123.12
1.00123.12
1.00123.12
1.00123.12
1.00123.12
1.00123.12
1.00123.12
1.00 50.90
1.00 50.90
1.00 50.90
1.00 50.90
1.00 50.90
1.00 50.90
1.00 50.90
1.00102.89
1.00102.89
1.00102.89
1.00102.89
1.00102.89
1.00102.89
1.00102.89
1.00 79.13
1.00 79.13
1.00 79.13
1.00 79.13
1.00 79.13
1.00 79.13
1.00 79.13
1.00193.44
1.00193.44
1.00193.44
1.00193.44
1.00193.44
1.00193.44
1.00193.44
1.00114.64
1.00114.64
1.00114.64
1.00114.64
1.00114.64
1.00114.64
1.00114.64
1.00114.64
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2199
2200
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
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
285
285
285
285
285
285
285
285
286
286
286
286
286
286
286
286
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
290
290
290
290
290
290
290
290
290
290
290
290
291
291
291
291
291
291
292
292
292
292
292
292
292
292
293
293
293
293
293
293
293
293
293
9.958
8.869
8.338
7.839
7.301
6.822
9.361
8.605
10.651
11.223
12.683
13.212
13.369
13.504
11.144
10.627
11.594
11.483
12.740
12.419
12.897
10.068
9.757
9.200
7.835
6.979
5.549
5.114
4.633
3.794
3.311
2.889
7.247
6.659
7.402
6.832
6.854
6.592
5.823
6.112
7.530
6.883
8.872
9.615
11.142
11.544
11.156
12.337
11.538
12.722
12.321
12.714
9.222
9.069
9.041
8.677
8.683
7.656
7.299
6.913
6.525
5.165
4.455
2.990
2.145
2.398
5.119
4.247
6.054
6.016
7.092
6.776
5.461
5.390
5.859
6.400
5.779
-43.186
-42.499
-41.370
-41.912
-40.796
-43.044
-41.915
-41.747
-41.552
-40.927
-40.485
-39.830
-40.479
-38.504
-41.841
-41.418
-43.068
-43.926
-43.437
-45.114
-44.942
-44.311
-44.710
-44.256
-44.603
-44.629
-44.825
-46.021
-43.815
-46.199
-43.987
-45.181
-43.595
-43.947
-42.298
-41.294
-39.907
-38.917
-39.786
-40.676
-41.284
-41.183
-41.396
-41.370
-41.380
-39.981
-39.381
-39.268
-38.088
-37.979
-37.385
-36.062
-42.540
-42.425
-43.703
-44.896
-46.146
-46.069
-44.726
-45.409
-43.787
-43.582
-42.493
-42.270
-43.530
-41.023
-43.167
-43.610
-42.304
-41.839
-40.781
-39.928
-39.148
-38.583
-37.329
-36.575
-36.826
-25.647
-26.274
-25.383
-24.031
-23.129
-24.227
-27.548
-28.504
-27.569
-28.721
-28.484
-29.748
-30.781
-29.666
-29.914
-30.946
-29.858
-30.998
-29.068
-30.759
-29.309
-31.250
-32.368
-30.227
-30.476
-29.197
-29.576
-30.097
-29.381
-30.438
-29.718
-30.251
-31.404
-32.423
-31.086
-31.936
-31.356
-32.504
-30.218
-29.012
-33.256
-34.296
-33.252
-34.480
-34.272
-33.934
-32.757
-34.805
-32.467
-34.522
-33.351
-33.059
-35.315
-36.531
-34.672
-35.368
-34.466
-33.491
-35.923
-36.871
-35.353
-35.757
-34.934
-35.355
-35.123
-34.677
-37.196
-37.941
-37.629
-38.985
-39.287
-40.518
-40.391
-39.012
-38.746
-39.748
-37.479
S63
1.00 72.14
1.00 72.14
1.00 72.14
1.00 72.14
1.00 72.14
1.00 72.14
1.00 72.14
1.00 72.14
1.00 76.59
1.00 76.59
1.00 76.59
1.00 76.59
1.00 76.59
1.00 76.59
1.00 76.59
1.00 76.59
1.00100.78
1.00100.78
1.00100.78
1.00100.78
1.00100.78
1.00100.78
1.00100.78
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00105.99
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 68.11
1.00 44.99
1.00 44.99
1.00 44.99
1.00 44.99
1.00 44.99
1.00 44.99
1.00129.39
1.00129.39
1.00129.39
1.00129.39
1.00129.39
1.00129.39
1.00129.39
1.00129.39
1.00167.47
1.00167.47
1.00167.47
1.00167.47
1.00167.47
1.00167.47
1.00167.47
1.00167.47
1.00167.47
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
293
293
294
294
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
300
300
300
300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
302
302
303
6.221
5.544
7.162
7.406
8.680
9.893
10.510
10.250
6.258
5.837
5.683
4.602
3.868
3.226
4.335
4.398
5.237
5.099
4.454
6.280
6.786
8.173
8.788
8.286
7.054
9.130
6.969
6.502
7.647
7.999
9.016
10.334
8.515
9.630
6.787
6.785
5.718
4.549
3.439
2.235
1.245
0.072
0.386
3.977
3.794
3.699
3.065
2.771
3.975
3.966
3.611
5.189
6.040
6.613
5.569
7.178
8.008
7.253
8.394
8.421
7.415
7.817
5.977
9.516
9.345
10.675
11.785
13.070
14.305
15.616
15.930
15.533
14.886
15.786
12.001
12.059
12.107
-43.016
-43.146
-43.915
-45.071
-45.841
-44.981
-45.120
-44.063
-46.018
-46.300
-46.489
-47.432
-47.518
-46.191
-45.237
-44.098
-45.713
-48.809
-49.541
-49.187
-50.535
-50.663
-52.061
-52.884
-52.856
-53.557
-50.977
-52.041
-50.145
-50.451
-49.483
-49.732
-48.046
-47.061
-50.586
-51.374
-49.833
-49.804
-48.969
-48.692
-47.718
-47.338
-46.086
-51.173
-51.595
-51.919
-53.192
-53.918
-54.172
-54.039
-54.473
-54.276
-55.055
-56.304
-57.212
-54.185
-53.850
-53.788
-53.012
-52.513
-51.385
-50.100
-51.826
-53.954
-55.158
-53.434
-54.312
-53.554
-54.445
-53.660
-53.123
-51.864
-51.080
-51.390
-54.882
-56.097
-53.990
-39.888
-40.906
-39.533
-40.351
-39.957
-40.276
-41.331
-39.337
-40.175
-39.055
-41.297
-41.270
-42.619
-43.038
-43.457
-42.999
-44.357
-40.927
-40.178
-41.458
-41.366
-42.018
-41.923
-43.098
-43.359
-43.748
-39.951
-39.549
-39.154
-37.803
-37.286
-38.041
-37.420
-37.100
-36.932
-35.987
-37.232
-36.401
-37.055
-36.158
-36.799
-35.894
-35.171
-36.194
-35.052
-37.280
-37.096
-38.421
-39.128
-36.275
-35.181
-36.764
-35.935
-36.625
-36.943
-35.575
-36.417
-34.295
-33.954
-32.501
-32.226
-32.967
-32.541
-34.128
-33.934
-34.563
-34.718
-35.093
-35.235
-35.342
-33.987
-33.640
-34.551
-32.385
-33.365
-33.184
-32.368
S64
1.00167.47
1.00167.47
1.00 53.26
1.00 53.26
1.00 53.26
1.00 53.26
1.00 53.26
1.00 53.26
1.00 53.26
1.00 53.26
1.00107.09
1.00107.09
1.00107.09
1.00107.09
1.00107.09
1.00107.09
1.00107.09
1.00107.09
1.00107.09
1.00125.43
1.00125.43
1.00125.43
1.00125.43
1.00125.43
1.00125.43
1.00125.43
1.00125.43
1.00125.43
1.00133.27
1.00133.27
1.00133.27
1.00133.27
1.00133.27
1.00133.27
1.00133.27
1.00133.27
1.00 97.35
1.00 97.35
1.00 97.35
1.00 97.35
1.00 97.35
1.00 97.35
1.00 97.35
1.00 97.35
1.00 97.35
1.00106.37
1.00106.37
1.00106.37
1.00106.37
1.00106.37
1.00106.37
1.00169.44
1.00169.44
1.00169.44
1.00169.44
1.00169.44
1.00169.44
1.00223.41
1.00223.41
1.00223.41
1.00223.41
1.00223.41
1.00223.41
1.00223.41
1.00223.41
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00122.62
1.00110.98
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
ND1
CG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
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
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
HIS
HIS
303
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
308
308
308
309
309
309
309
309
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
12.290
12.724
13.008
13.777
14.023
14.864
11.029
11.028
9.907
8.735
7.623
8.015
6.837
8.601
8.117
8.037
7.683
6.949
6.260
5.747
5.143
4.063
7.827
7.483
9.007
9.832
11.118
12.027
11.835
13.131
13.647
12.857
10.882
12.946
10.978
11.991
10.226
10.000
10.791
11.298
11.973
12.339
13.182
10.185
10.258
9.100
8.046
7.345
8.324
8.974
10.036
10.379
9.721
11.381
7.062
6.253
7.094
6.181
6.417
7.639
7.988
9.085
9.288
4.829
4.446
4.076
2.751
2.067
2.837
1.922
0.992
1.980
1.239
2.162
1.416
-1.693
-0.841
-54.465
-53.364
-53.885
-52.890
-53.391
-52.426
-55.062
-56.193
-54.315
-54.753
-53.695
-52.428
-51.443
-52.781
-56.002
-57.007
-55.993
-57.137
-56.920
-58.280
-55.881
-56.330
-58.334
-59.409
-58.171
-59.314
-58.951
-60.119
-61.033
-60.549
-61.667
-61.976
-61.080
-62.989
-62.100
-63.035
-59.923
-61.109
-59.109
-59.678
-58.687
-59.404
-58.093
-60.287
-61.449
-59.527
-60.094
-59.059
-58.356
-59.284
-58.510
-58.834
-59.837
-58.155
-60.613
-59.864
-61.933
-62.416
-63.874
-64.042
-65.503
-65.686
-67.126
-62.309
-63.080
-61.305
-61.118
-59.902
-58.666
-59.993
-58.942
-62.322
-62.889
-62.763
-63.890
-64.929
-64.592
-31.036
-30.054
-28.644
-27.773
-26.349
-25.607
-30.493
-30.011
-30.576
-29.870
-29.846
-29.069
-28.989
-27.692
-30.401
-29.697
-31.673
-32.127
-33.441
-33.948
-33.258
-32.275
-32.236
-31.750
-32.855
-33.093
-33.858
-34.140
-35.236
-33.468
-34.075
-35.166
-36.213
-36.079
-37.136
-37.070
-31.789
-31.556
-30.881
-29.667
-28.766
-27.453
-29.508
-28.890
-28.495
-28.669
-27.894
-26.994
-26.047
-25.016
-24.312
-23.030
-22.380
-22.399
-28.877
-29.421
-29.128
-30.110
-30.546
-31.451
-31.737
-32.789
-33.061
-29.515
-28.637
-29.988
-29.500
-30.073
-29.584
-31.607
-32.216
-29.902
-29.103
-31.161
-31.619
-31.496
-32.524
S65
1.00110.98
1.00110.98
1.00110.98
1.00110.98
1.00110.98
1.00110.98
1.00110.98
1.00110.98
1.00181.17
1.00181.17
1.00181.17
1.00181.17
1.00181.17
1.00181.17
1.00181.17
1.00181.17
1.00102.75
1.00102.75
1.00102.75
1.00102.75
1.00102.75
1.00102.75
1.00102.75
1.00102.75
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00146.62
1.00 67.18
1.00 67.18
1.00 67.18
1.00 67.18
1.00 67.18
1.00 67.18
1.00 67.18
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00228.48
1.00167.96
1.00167.96
1.00167.96
1.00167.96
1.00167.96
1.00167.96
1.00167.96
1.00167.96
1.00167.96
1.00109.67
1.00109.67
1.00109.67
1.00109.67
1.00109.67
1.00109.67
1.00109.67
1.00109.67
1.00117.79
1.00117.79
1.00117.79
1.00117.79
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
END
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
OXT
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
311
311
311
311
311
311
312
312
312
312
312
312
313
313
313
313
313
313
313
313
313
0.166
-2.137
-1.127
-2.444
2.307
3.387
1.876
2.676
3.150
4.099
1.836
0.618
2.498
1.796
3.591
2.683
3.491
1.509
1.558
1.220
-63.488
-66.321
-65.450
-65.969
-64.672
-64.215
-65.896
-66.707
-68.020
-67.743
-67.082
-67.235
-67.214
-67.585
-66.295
-67.150
-65.977
-69.048
-69.655
-69.599
-32.420
-33.171
-33.541
-31.935
-32.526
-32.897
-32.889
-33.755
-33.114
-32.096
-34.923
-34.831
-36.033
-37.228
-36.313
-38.393
-37.812
-37.220
-38.323
-36.124
S66
1.00117.79
1.00117.79
1.00117.79
1.00117.79
1.00117.79
1.00117.79
1.00167.71
1.00167.71
1.00167.71
1.00167.71
1.00167.71
1.00167.71
1.00140.94
1.00140.94
1.00140.94
1.00140.94
1.00140.94
1.00140.94
1.00140.94
1.00140.94
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
O
PDB and structure of OR1G1 built by homology modeling using beta 2 adrenergic receptor
(PDB ID 2RH1) as template.
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1
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
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
2
2
3
3
3
3
4
4
4
4
4
4
4
4
4
5
5
5
5
5
5
5
5
6
6
-44.518
-43.317
-42.892
-43.734
-45.417
-46.230
-43.576
-42.796
-44.682
-45.011
-46.442
-46.912
-47.103
-47.894
-46.461
-44.080
-43.596
-43.804
-42.914
-43.576
-44.802
-42.776
-43.410
-42.484
-43.241
-42.487
-42.555
-41.738
-43.985
-43.293
-45.303
-46.045
-46.996
-46.116
-45.368
-46.191
-46.857
-46.827
-47.588
-48.281
-5.502
-5.603
-4.209
-3.612
-3.061
-4.670
-6.469
-6.482
-7.233
-8.073
-8.629
-9.114
-7.850
-6.979
-7.732
-9.238
-9.648
-9.809
-10.930
-12.010
-12.070
-12.902
-13.895
-14.582
-15.529
-15.865
-14.745
-15.095
-14.944
-15.556
-15.147
-16.164
-15.623
-15.076
-15.813
-13.737
-16.743
-16.219
-17.845
-18.288
51.513
52.374
52.876
54.013
53.589
53.814
53.561
54.512
53.528
54.638
54.594
55.962
56.782
56.333
57.859
54.625
53.571
55.813
55.860
55.080
55.005
54.469
53.666
52.649
51.714
50.428
49.387
48.204
54.549
55.361
54.395
55.068
56.148
57.263
57.903
57.492
53.968
52.854
54.198
53.031
S67
1.00133.77
1.00133.77
1.00133.77
1.00133.77
1.00133.77
1.00133.77
1.00133.77
1.00133.77
1.00243.12
1.00243.12
1.00243.12
1.00243.12
1.00243.12
1.00243.12
1.00243.12
1.00243.12
1.00243.12
1.00 86.84
1.00 86.84
1.00 86.84
1.00 86.84
1.00216.51
1.00216.51
1.00216.51
1.00216.51
1.00216.51
1.00216.51
1.00216.51
1.00216.51
1.00216.51
1.00215.17
1.00215.17
1.00215.17
1.00215.17
1.00215.17
1.00215.17
1.00215.17
1.00215.17
1.00234.94
1.00234.94
N
C
C
C
S
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
CB
CG
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
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
GLY
GLY
6
6
6
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
9
9
9
9
9
9
9
9
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
13
13
13
13
13
13
13
14
14
14
14
14
14
14
14
15
15
15
15
15
15
15
15
16
16
-48.773
-49.144
-49.708
-50.050
-49.468
-50.496
-49.324
-50.361
-50.222
-49.048
-50.163
-50.200
-49.434
-50.936
-50.751
-51.833
-53.082
-49.416
-48.882
-48.825
-47.517
-46.575
-45.230
-46.448
-45.847
-47.675
-48.429
-46.997
-47.086
-46.603
-46.725
-46.206
-45.110
-46.664
-45.857
-46.191
-45.536
-46.113
-46.589
-46.090
-46.135
-47.243
-45.106
-45.338
-44.092
-43.556
-45.818
-45.518
-46.596
-47.117
-48.624
-49.072
-48.938
-49.637
-49.354
-50.055
-49.914
-46.928
-47.129
-46.510
-46.421
-45.053
-43.958
-42.639
-44.437
-47.438
-47.543
-48.229
-49.270
-50.516
-51.289
-52.516
-51.662
-48.760
-48.105
-49.035
-48.705
-19.750
-20.348
-21.770
-19.429
-17.391
-17.595
-16.353
-15.401
-14.122
-13.432
-14.449
-15.035
-15.668
-14.008
-13.607
-12.641
-13.316
-12.938
-12.519
-12.838
-12.260
-13.053
-12.307
-14.498
-14.596
-10.933
-10.796
-9.897
-8.620
-7.450
-6.225
-8.698
-9.251
-8.147
-8.268
-9.538
-9.620
-10.855
-11.755
-10.915
-7.110
-6.576
-6.670
-5.652
-4.836
-3.722
-6.385
-7.565
-5.721
-6.494
-6.737
-7.864
-9.162
-7.630
-10.213
-8.677
-9.969
-5.728
-4.515
-6.426
-5.785
-5.896
-5.067
-5.101
-3.633
-6.456
-7.681
-5.660
-6.246
-5.352
-5.148
-4.247
-6.497
-6.458
-5.592
-7.652
-7.919
53.088
51.709
51.850
50.875
52.910
53.553
52.068
51.816
52.592
52.192
54.095
50.382
49.657
49.922
48.563
48.046
47.955
48.511
49.537
47.305
47.207
46.344
46.319
46.856
48.255
46.543
45.582
47.074
46.431
47.306
46.596
45.228
45.286
44.090
42.915
42.120
40.744
40.073
40.813
38.813
42.019
41.998
41.271
40.294
39.911
41.244
39.088
38.915
38.220
37.138
37.316
36.453
36.893
35.224
36.110
34.436
34.880
35.870
35.828
34.799
33.522
32.828
33.525
32.738
33.803
32.666
32.655
31.932
31.147
31.021
32.336
32.124
32.969
29.764
29.188
29.210
27.845
S68
1.00234.94
1.00234.94
1.00234.94
1.00234.94
1.00234.94
1.00234.94
1.00268.22
1.00268.22
1.00268.22
1.00268.22
1.00268.22
1.00268.22
1.00268.22
1.00158.50
1.00158.50
1.00158.50
1.00158.50
1.00158.50
1.00158.50
1.00100.13
1.00100.13
1.00100.13
1.00100.13
1.00100.13
1.00100.13
1.00100.13
1.00100.13
1.00156.83
1.00156.83
1.00156.83
1.00156.83
1.00156.83
1.00156.83
1.00288.80
1.00288.80
1.00288.80
1.00288.80
1.00288.80
1.00288.80
1.00288.80
1.00288.80
1.00288.80
1.00 92.28
1.00 92.28
1.00 92.28
1.00 92.28
1.00 92.28
1.00 92.28
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00284.45
1.00224.02
1.00224.02
1.00224.02
1.00224.02
1.00224.02
1.00224.02
1.00224.02
1.00224.02
1.00197.32
1.00197.32
1.00197.32
1.00197.32
1.00197.32
1.00197.32
1.00197.32
1.00197.32
1.00106.77
1.00106.77
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
16
16
17
17
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
19
19
19
19
19
19
19
19
19
20
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
22
23
23
23
23
23
23
23
23
23
24
24
24
24
24
24
24
24
24
25
25
25
25
25
-47.316
-46.522
-47.020
-45.744
-45.894
-44.586
-43.704
-44.260
-42.505
-43.063
-42.184
-45.130
-45.783
-43.872
-43.352
-41.992
-41.548
-43.172
-42.265
-44.049
-43.935
-44.967
-46.421
-47.296
-46.825
-48.448
-44.119
-44.859
-43.420
-43.452
-42.461
-42.390
-41.231
-41.318
-40.105
-44.815
-45.274
-45.514
-46.769
-47.426
-46.672
-47.345
-46.464
-47.717
-48.337
-47.828
-48.756
-48.751
-49.395
-50.891
-51.285
-51.662
-48.337
-49.153
-47.024
-46.487
-44.961
-44.369
-42.858
-42.388
-42.153
-46.772
-46.986
-46.791
-46.864
-46.685
-45.244
-45.099
-46.088
-43.830
-48.116
-48.050
-49.298
-50.414
-51.801
-52.904
-52.831
-8.447
-8.417
-8.950
-9.462
-10.609
-11.249
-10.666
-12.464
-11.274
-13.076
-12.483
-8.304
-7.673
-7.955
-6.813
-6.333
-5.194
-7.240
-8.008
-6.747
-7.126
-8.179
-7.728
-8.946
-10.081
-8.757
-5.893
-4.987
-5.831
-4.667
-4.699
-3.366
-3.442
-2.972
-4.057
-4.493
-3.366
-5.598
-5.481
-6.847
-7.624
-8.963
-6.720
-4.641
-3.731
-4.886
-4.111
-4.508
-5.868
-5.665
-4.621
-6.545
-2.684
-1.783
-2.453
-1.130
-1.110
0.300
0.165
-0.981
1.195
-0.484
0.722
-1.275
-0.742
-1.811
-2.334
-3.299
-3.784
-3.587
0.036
1.078
-0.408
0.417
-0.176
0.763
1.022
27.730
28.669
26.518
26.129
25.107
24.785
23.903
25.343
23.612
25.055
24.182
25.423
24.594
25.747
25.062
25.603
24.875
23.649
23.334
22.754
21.381
20.944
21.076
20.808
21.082
20.338
20.568
20.948
19.422
18.593
17.418
16.662
15.679
14.546
16.130
18.021
17.868
17.710
17.026
16.754
15.662
15.311
14.438
17.816
17.269
19.128
19.898
21.382
21.638
21.486
20.902
21.960
19.822
19.630
19.934
19.933
20.102
20.081
20.168
20.401
19.997
18.618
18.555
17.534
16.211
15.116
15.070
13.903
13.357
13.506
15.952
15.303
16.415
16.053
16.362
15.868
14.360
S69
1.00106.77
1.00106.77
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00287.82
1.00167.70
1.00167.70
1.00167.70
1.00167.70
1.00167.70
1.00167.70
1.00270.85
1.00270.85
1.00270.85
1.00270.85
1.00270.85
1.00270.85
1.00270.85
1.00270.85
1.00270.85
1.00 83.49
1.00 83.49
1.00 83.49
1.00 83.49
1.00 83.49
1.00 83.49
1.00 83.49
1.00 83.49
1.00 83.49
1.00 44.93
1.00 44.93
1.00 44.93
1.00 44.93
1.00 44.93
1.00 44.93
1.00 44.93
1.00 44.93
1.00 63.51
1.00 63.51
1.00 63.51
1.00 63.51
1.00 63.51
1.00 63.51
1.00 63.51
1.00 63.51
1.00 63.51
1.00 77.18
1.00 77.18
1.00 77.18
1.00 77.18
1.00 77.18
1.00 77.18
1.00 77.18
1.00 77.18
1.00 77.18
1.00 52.50
1.00 52.50
1.00 52.50
1.00 52.50
1.00 52.50
1.00 52.50
1.00 52.50
1.00 52.50
1.00 52.50
1.00128.73
1.00128.73
1.00128.73
1.00128.73
1.00128.73
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CE
NZ
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
LYS
LYS
LYS
LYS
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
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
25
25
25
25
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
28
28
28
28
28
28
28
28
28
28
28
29
29
29
29
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
31
31
32
32
32
32
32
32
32
32
33
33
33
33
33
33
33
33
33
33
33
34
34
34
34
34
34
34
-53.745
-53.394
-50.303
-50.466
-50.022
-49.905
-50.530
-49.918
-50.762
-48.706
-48.717
-47.658
-46.438
-45.339
-44.018
-43.384
-43.057
-46.718
-46.191
-47.576
-47.904
-48.892
-48.991
-48.002
-50.078
-48.088
-50.170
-49.172
-48.542
-48.202
-49.480
-50.152
-49.136
-49.199
-48.171
-47.168
-46.172
-46.842
-46.361
-46.171
-45.861
-45.042
-44.377
-43.145
-43.212
-41.915
-42.065
-40.767
-40.841
-45.825
-45.304
-47.094
-47.872
-49.293
-50.118
-50.448
-49.438
-47.979
-47.873
-48.166
-48.331
-48.534
-48.896
-50.187
-47.948
-50.528
-48.284
-49.576
-47.082
-47.144
-45.906
-44.662
-43.441
-43.442
-41.957
-40.954
-44.480
2.149
2.521
1.754
2.786
1.818
3.112
0.829
2.871
1.591
3.843
5.073
3.099
3.667
2.611
3.194
4.138
2.090
4.298
5.362
3.637
4.051
3.078
3.380
2.961
4.052
3.227
4.322
3.910
5.396
6.309
5.555
6.810
7.850
8.982
7.484
8.403
7.753
7.321
8.898
10.102
7.980
8.370
7.205
6.848
6.126
7.229
5.797
6.903
6.187
9.165
10.110
8.796
9.515
8.933
9.527
11.012
9.254
10.923
11.884
11.055
12.293
11.980
13.195
13.662
13.841
14.781
14.959
15.432
13.108
14.299
12.472
13.178
12.339
11.996
11.127
12.639
13.672
13.874
12.484
16.717
16.055
17.986
18.595
18.924
20.101
20.242
18.092
18.086
17.701
17.211
16.988
16.458
17.495
15.997
15.893
15.576
15.097
13.764
13.098
11.639
10.777
11.130
9.433
9.786
8.935
13.858
13.109
14.807
14.952
15.307
14.828
16.170
16.629
17.603
18.777
15.468
15.310
14.622
13.508
12.768
13.519
14.687
13.033
15.370
13.710
14.882
12.517
11.927
12.286
11.321
11.169
10.008
10.218
8.656
11.819
11.059
13.143
13.845
15.342
16.115
16.105
16.875
16.828
17.598
17.573
13.661
13.363
13.819
13.707
14.109
15.601
16.177
16.180
12.307
S70
1.00128.73
1.00128.73
1.00128.73
1.00128.73
1.00122.81
1.00122.81
1.00122.81
1.00122.81
1.00122.81
1.00122.81
1.00122.81
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 45.29
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 90.74
1.00 85.00
1.00 85.00
1.00 85.00
1.00 85.00
1.00 87.63
1.00 87.63
1.00 87.63
1.00 87.63
1.00 87.63
1.00 87.63
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00 59.51
1.00128.45
1.00128.45
1.00128.45
1.00128.45
1.00128.45
1.00128.45
1.00128.45
1.00128.45
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 91.04
1.00 42.21
1.00 42.21
1.00 42.21
1.00 42.21
1.00 42.21
1.00 42.21
1.00 42.21
C
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
S
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
34
35
35
35
35
35
35
35
35
35
35
35
35
36
36
36
36
36
36
36
36
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
41
41
41
41
42
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
44
45
45
-43.942
-44.913
-44.826
-45.417
-45.828
-44.911
-47.167
-45.329
-47.590
-46.669
-47.106
-45.636
-45.180
-46.868
-47.764
-49.150
-49.914
-51.296
-49.982
-47.207
-47.270
-46.647
-46.196
-45.687
-46.839
-44.464
-45.097
-45.072
-44.150
-43.011
-41.988
-40.751
-42.539
-43.449
-42.949
-44.409
-44.885
-45.902
-45.290
-47.205
-45.560
-45.290
-46.458
-47.261
-48.312
-46.432
-46.595
-45.508
-44.742
-43.851
-43.708
-43.204
-42.291
-41.543
-40.481
-40.685
-39.311
-43.032
-42.537
-44.235
-45.007
-46.314
-47.235
-48.328
-47.877
-45.327
-45.263
-45.656
-46.049
-46.490
-47.181
-47.609
-46.330
-44.893
-45.084
-43.661
-42.473
14.755
12.880
13.268
12.169
12.763
13.101
12.969
13.644
13.508
13.846
14.400
14.506
15.467
14.511
15.616
15.363
14.178
14.001
14.300
16.830
17.935
16.671
17.844
17.578
17.024
16.652
18.496
19.715
17.691
18.207
17.123
17.662
16.044
18.852
19.920
18.244
18.801
17.915
16.542
17.765
20.130
21.113
20.194
21.360
21.134
22.530
23.633
22.311
23.389
24.002
25.223
23.154
23.614
22.467
22.001
21.066
22.689
24.367
25.369
23.891
24.564
23.805
24.441
23.456
25.756
25.932
26.915
26.033
27.287
27.116
28.327
27.963
29.607
28.250
29.439
27.756
28.570
12.089
11.315
9.938
9.040
7.740
6.777
7.493
5.581
6.302
5.345
4.121
9.732
9.112
10.268
10.098
10.718
10.100
10.750
8.570
10.777
10.242
11.987
12.678
14.070
14.923
13.998
11.901
11.744
11.392
10.700
10.527
10.094
9.584
9.409
9.052
8.679
7.435
6.715
6.437
7.512
7.682
6.992
8.686
8.925
10.023
9.351
8.832
10.303
10.865
9.834
9.779
9.013
8.007
7.313
8.297
9.068
8.287
6.960
6.450
6.596
5.595
5.258
4.184
3.731
4.668
6.116
5.383
7.416
8.004
9.476
10.146
11.576
10.118
7.934
7.683
8.164
8.164
S71
1.00 42.21
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00154.01
1.00140.83
1.00140.83
1.00140.83
1.00140.83
1.00140.83
1.00140.83
1.00140.83
1.00140.83
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00 95.27
1.00125.19
1.00125.19
1.00125.19
1.00125.19
1.00125.19
1.00125.19
1.00125.19
1.00120.55
1.00120.55
1.00120.55
1.00120.55
1.00120.55
1.00120.55
1.00120.55
1.00 42.15
1.00 42.15
1.00 42.15
1.00 42.15
1.00 42.15
1.00 33.48
1.00 33.48
1.00 33.48
1.00 33.48
1.00 67.32
1.00 67.32
1.00 67.32
1.00 67.32
1.00 67.32
1.00 67.32
1.00 67.32
1.00 67.32
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00 49.97
1.00 49.97
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
45
45
45
45
45
45
46
46
46
46
46
46
46
46
47
47
47
47
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
51
51
51
51
51
51
51
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
55
-41.242
-40.030
-41.352
-40.298
-42.231
-41.929
-42.334
-42.047
-42.016
-40.820
-43.363
-43.447
-43.040
-42.659
-44.338
-45.347
-46.789
-47.320
-47.566
-46.412
-45.158
-45.297
-44.828
-44.715
-44.433
-45.600
-43.063
-43.618
-43.778
-42.467
-41.340
-40.168
-39.068
-39.709
-39.208
-41.707
-41.419
-42.350
-42.683
-43.237
-44.601
-43.306
-41.940
-43.681
-43.525
-44.740
-45.801
-47.022
-48.079
-46.678
-45.399
-45.710
-44.690
-44.441
-44.601
-46.094
-46.889
-46.455
-43.075
-42.066
-43.041
-41.841
-42.089
-42.939
-40.734
-40.971
-39.748
-41.578
-40.776
-41.601
-42.290
-42.978
-43.070
-43.471
-39.917
-38.757
-40.463
27.770
28.707
27.081
25.991
29.125
30.305
28.271
28.700
27.563
26.664
26.830
25.774
29.732
30.738
29.518
30.456
29.988
28.959
29.617
27.724
31.777
32.822
31.784
33.036
32.885
32.128
32.219
33.862
35.067
33.235
33.930
33.022
33.846
32.358
33.343
34.457
35.609
33.609
33.990
32.851
32.421
33.254
33.530
35.113
36.071
35.019
35.991
35.554
36.481
35.450
37.331
38.354
37.376
38.652
38.644
38.596
38.848
38.313
39.151
38.501
40.365
41.009
42.316
42.124
42.881
41.294
41.219
41.629
41.955
42.313
43.679
43.913
45.042
42.811
40.774
40.936
39.552
8.474
8.338
9.843
10.035
6.794
6.634
5.760
4.423
3.441
3.796
3.403
2.304
3.986
3.389
4.277
3.871
4.146
3.127
1.758
3.031
4.556
3.923
5.863
6.562
8.036
8.696
8.222
5.955
5.764
5.639
5.079
4.845
4.152
6.153
7.205
3.728
3.402
2.901
1.558
0.731
1.300
-0.753
-1.380
1.553
0.799
2.383
2.372
3.133
2.933
4.628
2.912
2.303
4.060
4.666
6.194
6.488
5.545
7.662
4.329
4.593
3.749
3.302
2.615
1.496
2.155
4.479
4.385
5.630
6.769
8.017
7.944
9.282
9.761
9.909
7.105
7.478
6.992
S72
1.00 49.97
1.00 49.97
1.00 49.97
1.00 49.97
1.00 49.97
1.00 49.97
1.00102.49
1.00102.49
1.00102.49
1.00102.49
1.00102.49
1.00102.49
1.00102.49
1.00102.49
1.00147.30
1.00147.30
1.00147.30
1.00147.30
1.00147.30
1.00147.30
1.00147.30
1.00147.30
1.00 96.83
1.00 96.83
1.00 96.83
1.00 96.83
1.00 96.83
1.00 96.83
1.00 96.83
1.00 96.66
1.00 96.66
1.00 96.66
1.00 96.66
1.00 96.66
1.00 96.66
1.00 96.66
1.00 96.66
1.00129.37
1.00129.37
1.00129.37
1.00129.37
1.00129.37
1.00129.37
1.00129.37
1.00129.37
1.00109.35
1.00109.35
1.00109.35
1.00109.35
1.00109.35
1.00109.35
1.00109.35
1.00 46.98
1.00 46.98
1.00 46.98
1.00 46.98
1.00 46.98
1.00 46.98
1.00 46.98
1.00 46.98
1.00 32.05
1.00 32.05
1.00 32.05
1.00 32.05
1.00 32.05
1.00 32.05
1.00 32.05
1.00 50.65
1.00 50.65
1.00 50.65
1.00 50.65
1.00 50.65
1.00 50.65
1.00 50.65
1.00 50.65
1.00 50.65
1.00118.81
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
O
N
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
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
55
55
55
55
55
55
55
56
56
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
60
60
60
60
60
60
60
60
60
60
60
60
61
61
61
61
61
61
61
61
61
61
61
62
62
62
62
62
62
62
62
62
62
62
63
63
63
63
-39.727
-40.583
-41.499
-42.654
-41.963
-38.639
-37.693
-38.756
-37.739
-38.586
-38.979
-38.105
-40.649
-40.241
-39.621
-36.470
-36.306
-35.524
-34.217
-33.912
-33.844
-35.015
-33.300
-33.760
-32.026
-31.110
-31.523
-29.764
-30.146
-31.109
-31.002
-31.257
-31.232
-31.365
-30.179
-30.415
-31.649
-32.388
-32.253
-33.551
-34.782
-35.983
-36.219
-35.293
-37.350
-35.470
-37.537
-36.599
-36.787
-34.646
-35.313
-33.835
-33.625
-32.712
-33.531
-33.985
-33.825
-34.736
-34.572
-35.029
-32.978
-33.360
-31.969
-31.295
-30.066
-29.039
-28.446
-28.634
-27.494
-27.683
-27.111
-32.269
-32.241
-33.146
-34.132
-34.982
-35.990
38.361
37.088
37.141
38.134
35.743
38.092
37.378
38.592
38.269
36.182
37.490
38.540
36.353
37.574
35.548
39.008
40.179
38.301
38.834
39.262
38.137
40.219
37.708
36.597
37.949
36.908
39.268
37.597
39.024
35.730
34.602
35.955
34.871
35.356
36.214
37.052
38.225
33.969
32.746
34.573
33.888
34.846
35.309
36.114
34.958
36.559
35.399
36.201
36.655
33.061
32.036
33.507
32.705
33.357
34.222
35.456
33.776
36.226
34.543
35.772
31.416
30.351
31.476
30.280
30.533
31.265
30.691
32.529
31.373
33.215
32.639
29.437
28.210
30.091
29.424
30.445
29.884
7.312
7.478
8.720
8.530
9.156
6.318
6.640
5.068
4.104
1.807
2.005
2.629
0.997
1.505
1.202
4.385
4.046
5.029
5.247
6.658
7.516
7.146
4.898
4.613
4.870
4.502
4.525
4.317
3.887
5.429
4.949
6.747
7.687
9.139
9.582
11.175
10.542
7.388
7.374
7.093
6.821
6.720
8.124
8.742
8.827
10.030
10.120
10.726
12.050
5.579
5.452
4.599
3.422
2.368
1.474
1.876
0.206
1.017
-0.655
-0.246
3.820
3.338
4.708
5.129
6.022
5.219
4.116
5.596
3.392
4.878
3.770
5.894
5.809
6.679
7.484
8.280
9.312
S73
1.00118.81
1.00118.81
1.00118.81
1.00118.81
1.00118.81
1.00118.81
1.00118.81
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 76.23
1.00 56.98
1.00 56.98
1.00 56.98
1.00 56.98
1.00 56.98
1.00 56.98
1.00 56.98
1.00153.67
1.00153.67
1.00153.67
1.00153.67
1.00153.67
1.00153.67
1.00153.67
1.00 77.83
1.00 77.83
1.00 77.83
1.00 77.83
1.00 77.83
1.00 77.83
1.00 77.83
1.00 77.83
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 75.75
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.26
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 89.03
1.00 89.03
1.00 89.03
1.00 89.03
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
63
63
63
63
64
64
64
64
64
65
65
65
65
65
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
69
69
69
69
69
70
70
70
70
70
70
70
70
71
71
71
71
71
72
72
72
72
72
72
73
73
73
73
73
73
73
73
73
73
73
74
74
74
-36.694
-37.012
-35.023
-35.397
-35.384
-36.244
-36.548
-35.555
-36.173
-34.241
-33.504
-32.072
-31.502
-31.806
-30.641
-33.489
-33.543
-33.405
-33.457
-33.341
-31.944
-31.915
-30.891
-34.809
-34.923
-35.871
-37.228
-38.280
-39.590
-37.460
-38.232
-36.832
-37.014
-36.392
-36.608
-38.104
-35.831
-36.403
-37.001
-35.193
-34.516
-33.136
-35.367
-35.514
-35.946
-36.804
-37.190
-37.618
-38.590
-36.962
-38.037
-38.485
-38.609
-39.809
-40.293
-39.546
-40.376
-38.380
-38.093
-36.771
-36.815
-38.010
-38.405
-37.487
-37.338
-36.713
-36.253
-35.130
-36.913
-34.682
-36.468
-35.355
-38.713
-38.938
-39.676
-41.010
-41.896
31.036
28.912
28.666
27.527
29.288
28.656
29.562
27.429
26.376
27.531
26.418
26.794
25.675
24.499
26.055
25.332
24.147
25.711
24.759
25.398
25.926
26.530
24.826
24.104
22.895
24.904
24.426
25.542
25.003
23.428
22.490
23.624
22.717
23.201
22.201
22.000
22.611
21.379
20.343
21.364
20.126
20.329
19.353
18.137
20.076
19.560
20.744
20.210
19.408
20.584
19.010
17.913
19.773
19.387
20.461
18.145
17.245
18.054
16.908
17.079
18.501
15.706
14.603
15.908
14.883
15.485
14.402
13.677
14.137
12.679
13.140
12.411
14.375
13.167
15.300
14.963
16.187
10.047
8.699
6.552
6.828
5.415
4.460
3.256
3.949
3.812
3.668
3.140
2.716
1.848
2.037
0.866
4.184
3.858
5.474
6.550
7.942
8.291
9.703
8.108
6.540
6.734
6.320
6.359
6.182
6.227
5.264
5.450
4.086
2.982
1.660
0.505
0.219
-0.754
3.283
2.995
3.873
4.142
4.789
5.088
4.984
6.050
7.063
7.948
9.272
9.274
10.280
6.408
6.729
5.454
4.763
3.774
3.965
3.902
3.314
2.501
1.743
0.606
3.389
3.019
4.606
5.592
6.861
7.762
7.435
8.937
8.260
9.768
9.427
5.922
6.003
6.096
6.509
6.703
S74
1.00 89.03
1.00 89.03
1.00 89.03
1.00 89.03
1.00 29.43
1.00 29.43
1.00 29.43
1.00 29.43
1.00 29.43
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00160.34
1.00160.34
1.00160.34
1.00160.34
1.00160.34
1.00160.34
1.00160.34
1.00160.34
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00 85.06
1.00132.79
1.00132.79
1.00132.79
1.00132.79
1.00132.79
1.00132.79
1.00132.79
1.00132.79
1.00 46.60
1.00 46.60
1.00 46.60
1.00 46.60
1.00 46.60
1.00123.57
1.00123.57
1.00123.57
1.00123.57
1.00123.57
1.00123.57
1.00123.57
1.00123.57
1.00 43.00
1.00 43.00
1.00 43.00
1.00 43.00
1.00 43.00
1.00 38.84
1.00 38.84
1.00 38.84
1.00 38.84
1.00 38.84
1.00 38.84
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00 97.87
1.00134.78
1.00134.78
1.00134.78
C
C
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
580
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
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
74
74
74
74
75
75
75
75
75
75
76
76
76
76
76
76
76
77
77
77
77
77
77
77
78
78
78
78
78
78
78
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
81
82
82
82
82
82
82
82
82
83
83
83
83
83
84
84
84
84
84
84
84
84
85
-41.049
-42.559
-41.648
-42.361
-41.465
-42.072
-42.146
-42.736
-41.355
-41.905
-40.111
-39.347
-38.194
-37.274
-38.739
-38.784
-38.900
-38.077
-37.392
-36.268
-35.335
-35.588
-38.236
-38.235
-39.009
-39.678
-40.387
-41.157
-39.355
-40.690
-40.753
-41.500
-42.528
-41.844
-43.409
-43.248
-42.005
-42.606
-40.908
-40.327
-39.243
-39.754
-40.891
-41.429
-42.008
-39.694
-39.787
-39.029
-38.350
-37.711
-37.124
-36.373
-34.796
-39.370
-39.154
-40.523
-41.574
-42.775
-44.004
-43.715
-45.234
-42.088
-42.251
-42.334
-42.877
-43.076
-41.904
-42.290
-40.603
-39.557
-38.172
-37.065
-37.299
-35.819
-39.745
-39.783
-39.881
17.258
16.711
14.108
13.159
14.482
13.798
14.688
13.976
12.538
11.442
12.696
11.603
12.061
12.817
12.897
10.644
9.432
11.157
10.299
11.003
11.483
10.001
9.656
8.438
10.467
10.005
11.117
10.516
12.187
8.939
7.953
9.073
8.096
10.368
8.662
10.188
6.720
5.758
6.611
5.351
5.489
6.112
5.347
6.075
7.377
4.707
3.494
5.516
5.007
6.130
5.657
6.967
7.029
4.354
3.257
5.023
4.523
5.477
4.845
4.431
5.753
3.230
2.261
3.177
2.001
2.149
0.893
-0.242
1.224
0.252
0.934
-0.111
-1.290
0.336
-0.498
-1.727
0.228
7.378
5.423
5.452
5.766
4.169
3.069
1.818
0.742
2.686
2.775
2.186
1.647
0.793
1.561
-0.379
2.660
2.488
3.691
4.625
5.320
4.362
6.270
5.692
5.855
6.431
7.616
8.329
9.516
8.729
7.333
8.070
6.326
6.112
5.763
5.001
5.159
5.838
6.308
5.064
4.689
3.605
2.302
1.624
0.390
0.793
5.880
6.062
6.728
7.884
8.726
10.060
11.078
10.181
8.755
9.269
8.921
9.753
9.817
10.493
11.943
10.350
9.209
9.948
7.889
7.276
5.758
7.478
7.753
7.378
7.459
7.518
7.520
7.262
7.831
8.734
8.734
9.856
S75
1.00134.78
1.00134.78
1.00134.78
1.00134.78
1.00101.97
1.00101.97
1.00101.97
1.00101.97
1.00101.97
1.00101.97
1.00144.99
1.00144.99
1.00144.99
1.00144.99
1.00144.99
1.00144.99
1.00144.99
1.00 71.84
1.00 71.84
1.00 71.84
1.00 71.84
1.00 71.84
1.00 71.84
1.00 71.84
1.00 61.76
1.00 61.76
1.00 61.76
1.00 61.76
1.00 61.76
1.00 61.76
1.00 61.76
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00 78.58
1.00122.82
1.00122.82
1.00122.82
1.00122.82
1.00122.82
1.00122.82
1.00122.82
1.00122.82
1.00122.82
1.00102.46
1.00102.46
1.00102.46
1.00102.46
1.00102.46
1.00102.46
1.00102.46
1.00102.46
1.00134.59
1.00134.59
1.00134.59
1.00134.59
1.00134.59
1.00134.59
1.00134.59
1.00134.59
1.00 32.99
1.00 32.99
1.00 32.99
1.00 32.99
1.00 32.99
1.00 48.77
1.00 48.77
1.00 48.77
1.00 48.77
1.00 48.77
1.00 48.77
1.00 48.77
1.00 48.77
1.00 47.39
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
SER
SER
SER
SER
SER
SER
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
85
85
85
85
85
85
85
86
86
86
86
86
86
86
86
86
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
88
89
89
89
89
89
89
90
90
90
90
90
90
90
90
90
91
91
91
91
91
92
92
92
92
92
92
92
92
93
93
93
93
93
93
94
94
94
94
94
94
94
94
94
94
-40.070
-39.917
-40.339
-38.475
-38.272
-41.432
-41.557
-42.489
-43.831
-44.906
-45.118
-45.998
-46.044
-46.727
-44.005
-44.436
-43.643
-43.744
-44.337
-44.145
-45.803
-46.408
-42.338
-41.583
-41.942
-40.573
-40.155
-40.236
-39.801
-40.307
-38.830
-40.395
-41.116
-39.441
-39.029
-39.839
-39.611
-39.166
-39.650
-38.708
-38.852
-37.522
-36.702
-37.041
-37.868
-36.379
-39.670
-39.307
-40.830
-41.739
-43.075
-41.102
-41.302
-40.303
-39.701
-39.441
-38.370
-39.111
-39.142
-38.401
-37.597
-38.175
-37.101
-37.100
-38.316
-35.757
-35.629
-34.711
-33.343
-32.354
-32.411
-33.431
-31.415
-33.479
-31.458
-32.483
-32.514
-0.422
0.515
-0.225
1.048
2.193
-1.054
-2.210
-0.324
-0.812
0.149
1.392
0.991
1.678
-0.148
-2.108
-3.092
-2.153
-3.381
-3.215
-4.515
-2.768
-2.310
-3.817
-3.250
-4.839
-5.225
-6.288
-5.770
-6.885
-8.005
-6.572
-5.772
-6.683
-5.155
-5.435
-6.517
-7.772
-4.136
-3.160
-4.072
-2.851
-2.244
-1.588
-0.103
0.355
0.679
-3.146
-3.982
-2.474
-2.574
-1.851
-1.959
-2.411
-0.901
-0.158
1.281
1.327
2.131
3.635
-0.826
-1.129
-1.051
-1.811
-1.776
-2.296
-1.299
-0.467
-1.855
-1.519
-2.068
-3.545
-4.164
-4.306
-5.533
-5.673
-6.287
-7.692
11.118
12.280
13.560
12.321
13.310
11.197
11.597
10.782
10.971
10.427
11.296
12.474
13.494
12.331
10.263
10.862
8.970
8.250
6.875
6.078
6.991
5.665
8.099
7.312
8.875
8.785
9.814
11.249
12.183
12.111
13.081
7.423
7.019
6.697
5.353
4.619
5.243
4.632
5.206
3.370
2.633
2.158
3.271
3.288
4.075
2.393
1.422
0.596
1.328
0.224
0.472
-0.978
-2.105
-0.751
-1.820
-1.442
-0.338
-2.677
-2.399
-2.152
-1.275
-3.464
-4.048
-5.589
-6.102
-3.637
-2.739
-4.294
-4.020
-5.059
-5.161
-5.841
-4.600
-5.952
-4.708
-5.379
-5.485
S76
1.00 47.39
1.00 47.39
1.00 47.39
1.00 47.39
1.00 47.39
1.00 47.39
1.00 47.39
1.00106.17
1.00106.17
1.00106.17
1.00106.17
1.00106.17
1.00106.17
1.00106.17
1.00106.17
1.00106.17
1.00209.99
1.00209.99
1.00209.99
1.00209.99
1.00209.99
1.00209.99
1.00209.99
1.00209.99
1.00202.54
1.00202.54
1.00202.54
1.00202.54
1.00202.54
1.00202.54
1.00202.54
1.00202.54
1.00202.54
1.00 91.96
1.00 91.96
1.00 91.96
1.00 91.96
1.00 91.96
1.00 91.96
1.00126.71
1.00126.71
1.00126.71
1.00126.71
1.00126.71
1.00126.71
1.00126.71
1.00126.71
1.00126.71
1.00 67.40
1.00 67.40
1.00 67.40
1.00 67.40
1.00 67.40
1.00281.31
1.00281.31
1.00281.31
1.00281.31
1.00281.31
1.00281.31
1.00281.31
1.00281.31
1.00165.95
1.00165.95
1.00165.95
1.00165.95
1.00165.95
1.00165.95
1.00132.20
1.00132.20
1.00132.20
1.00132.20
1.00132.20
1.00132.20
1.00132.20
1.00132.20
1.00132.20
1.00132.20
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CB
OG
C
O
N
CA
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
TYR
TYR
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
94
94
95
95
95
95
95
95
96
96
96
96
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
101
101
101
101
101
101
101
101
102
102
102
102
102
102
102
102
102
102
102
102
103
103
103
103
103
103
103
103
103
103
103
104
104
104
-33.236
-32.756
-33.704
-33.664
-34.097
-35.468
-34.649
-35.524
-34.531
-35.528
-34.947
-34.966
-34.423
-33.737
-33.282
-32.031
-32.504
-32.177
-31.802
-30.579
-29.995
-28.692
-28.959
-27.612
-30.866
-30.110
-31.978
-32.335
-33.572
-33.934
-32.862
-35.352
-32.682
-32.212
-33.512
-33.995
-35.059
-35.593
-34.702
-34.627
-34.006
-32.843
-32.774
-31.887
-30.748
-29.814
-28.663
-27.824
-27.794
-30.013
-29.584
-29.881
-29.209
-29.178
-29.277
-28.195
-30.519
-28.378
-30.706
-29.627
-29.811
-29.882
-29.209
-31.226
-31.911
-33.409
-33.732
-33.492
-34.237
-33.763
-34.512
-34.275
-31.763
-31.638
-31.788
-31.676
-31.625
-0.062
0.691
0.376
1.780
2.207
1.906
2.291
1.567
3.526
3.913
3.652
4.522
2.428
2.151
0.682
0.432
2.980
3.702
2.867
3.544
3.019
3.681
5.082
3.677
5.000
5.841
5.325
6.695
6.803
8.245
8.852
8.330
7.358
8.454
6.678
7.218
6.331
6.902
6.412
5.215
7.362
7.400
8.385
6.456
6.507
5.309
5.073
3.861
6.318
7.777
8.504
8.075
9.230
9.125
10.467
11.299
10.873
12.527
12.094
12.925
14.183
10.503
11.460
10.558
11.773
11.771
13.209
14.068
13.698
15.406
15.040
15.887
12.050
13.204
10.990
11.154
9.804
-4.257
-3.412
-5.438
-5.671
-7.087
-7.307
-4.691
-4.250
-4.229
-3.286
-1.931
-1.066
-1.705
-0.474
-0.342
0.960
-0.511
0.429
-1.653
-1.956
-3.283
-3.771
-4.342
-2.680
-2.092
-1.604
-2.779
-3.019
-3.926
-4.312
-5.233
-4.897
-1.720
-1.419
-0.904
0.335
1.010
2.328
3.460
3.730
4.143
1.267
2.002
1.242
2.114
1.844
2.846
2.421
3.063
1.799
2.694
0.493
-0.039
-1.572
-2.196
-2.375
-2.620
-2.970
-3.213
-3.390
-4.000
0.389
0.774
0.331
0.675
0.358
0.511
-0.536
1.693
-0.421
1.815
0.760
2.138
2.553
2.965
4.385
5.118
S77
1.00132.20
1.00132.20
1.00168.15
1.00168.15
1.00168.15
1.00168.15
1.00168.15
1.00168.15
1.00226.83
1.00226.83
1.00226.83
1.00226.83
1.00 83.41
1.00 83.41
1.00 83.41
1.00 83.41
1.00 83.41
1.00 83.41
1.00136.56
1.00136.56
1.00136.56
1.00136.56
1.00136.56
1.00136.56
1.00136.56
1.00136.56
1.00 54.58
1.00 54.58
1.00 54.58
1.00 54.58
1.00 54.58
1.00 54.58
1.00 54.58
1.00 54.58
1.00 77.96
1.00 77.96
1.00 77.96
1.00 77.96
1.00 77.96
1.00 77.96
1.00 77.96
1.00 77.96
1.00 77.96
1.00137.13
1.00137.13
1.00137.13
1.00137.13
1.00137.13
1.00137.13
1.00137.13
1.00137.13
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00175.40
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 98.11
1.00 52.16
1.00 52.16
1.00 52.16
C
O
N
C
C
O
C
O
N
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
104
104
104
104
104
104
104
104
105
105
105
105
105
105
105
105
106
106
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
109
109
109
109
109
109
109
109
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
113
113
113
113
113
-31.214
-32.126
-29.896
-31.725
-29.489
-30.405
-30.395
-30.382
-29.287
-27.970
-26.917
-26.743
-25.834
-24.285
-27.923
-27.318
-28.561
-28.532
-29.357
-29.308
-27.924
-30.459
-29.162
-28.587
-30.347
-31.107
-32.422
-32.771
-33.139
-32.738
-33.460
-33.057
-33.420
-30.351
-30.322
-29.748
-29.033
-28.542
-27.708
-27.728
-27.843
-27.555
-27.120
-25.919
-25.297
-23.891
-23.209
-23.452
-26.237
-25.549
-27.321
-27.768
-29.050
-29.736
-30.981
-30.110
-28.103
-27.752
-28.799
-29.242
-30.115
-30.722
-31.486
-32.138
-31.421
-28.077
-28.038
-27.087
-25.968
-25.003
-25.193
-24.782
-24.982
-24.199
-23.882
-22.723
-22.889
10.058
10.442
9.901
10.668
10.125
10.510
11.865
12.858
11.385
11.914
11.166
9.695
8.705
9.640
13.340
14.195
13.624
14.914
14.884
16.156
16.338
16.168
15.925
16.974
15.601
16.488
15.851
16.456
17.775
15.671
18.301
16.187
17.509
16.860
18.032
15.866
16.140
14.906
14.056
15.369
17.007
17.934
16.720
17.425
16.860
17.377
16.776
15.020
18.861
19.770
19.080
20.372
20.199
21.445
20.991
22.521
21.172
22.344
20.556
21.338
20.555
21.443
20.544
19.581
20.806
21.878
23.065
21.020
21.422
20.261
22.476
23.459
22.299
23.230
22.753
21.828
20.490
6.528
7.483
6.888
8.781
8.181
9.130
4.683
5.408
4.092
4.313
3.482
3.863
2.637
2.771
3.846
4.490
2.696
2.065
0.768
-0.090
-0.733
-1.110
2.978
3.258
3.520
4.363
4.843
6.163
6.288
7.294
7.518
8.527
8.639
5.588
5.962
6.259
7.466
8.166
7.198
9.382
7.180
7.935
6.078
5.719
4.434
4.135
2.562
2.954
5.439
5.901
4.678
4.253
3.403
2.804
2.043
3.831
5.475
5.582
6.448
7.565
8.559
9.651
10.611
10.129
11.842
8.337
8.656
8.644
9.448
9.736
8.737
9.352
7.418
6.660
5.234
5.384
5.670
S78
1.00 52.16
1.00 52.16
1.00 52.16
1.00 52.16
1.00 52.16
1.00 52.16
1.00 52.16
1.00 52.16
1.00 48.35
1.00 48.35
1.00 48.35
1.00 48.35
1.00 48.35
1.00 48.35
1.00 48.35
1.00 48.35
1.00 59.53
1.00 59.53
1.00 59.53
1.00 59.53
1.00 59.53
1.00 59.53
1.00 59.53
1.00 59.53
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00116.96
1.00107.52
1.00107.52
1.00107.52
1.00107.52
1.00107.52
1.00107.52
1.00107.52
1.00113.01
1.00113.01
1.00113.01
1.00113.01
1.00113.01
1.00113.01
1.00113.01
1.00113.01
1.00114.29
1.00114.29
1.00114.29
1.00114.29
1.00114.29
1.00114.29
1.00114.29
1.00114.29
1.00 84.58
1.00 84.58
1.00 84.58
1.00 84.58
1.00 84.58
1.00 84.58
1.00 84.58
1.00 84.58
1.00 84.58
1.00 41.11
1.00 41.11
1.00 41.11
1.00 41.11
1.00 41.11
1.00142.59
1.00142.59
1.00142.59
1.00142.59
1.00142.59
C
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
113
113
113
113
113
113
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
119
120
120
120
120
120
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
123
123
123
123
-21.449
-21.793
-20.352
-20.523
-24.863
-24.193
-26.197
-26.886
-28.394
-28.797
-28.006
-30.315
-26.715
-26.461
-26.822
-26.707
-26.740
-28.120
-28.108
-29.170
-25.372
-25.258
-24.325
-22.995
-21.934
-22.933
-22.264
-23.623
-23.618
-24.400
-24.374
-23.813
-24.237
-23.794
-25.298
-25.968
-27.262
-28.225
-29.811
-30.476
-25.044
-25.046
-24.234
-23.325
-22.598
-22.276
-21.898
-21.746
-20.732
-20.172
-19.085
-17.778
-19.365
-16.767
-18.356
-17.058
-16.020
-21.357
-20.782
-22.574
-23.263
-24.590
-25.024
-24.285
-26.106
-23.564
-23.397
-24.017
-24.336
-25.045
-24.020
-23.083
-23.106
-21.948
-20.712
-19.559
-18.238
22.328
19.669
21.514
20.180
24.570
25.593
24.608
25.867
25.742
25.664
24.593
25.467
26.505
27.705
25.712
26.265
25.206
24.570
23.546
25.664
26.921
28.017
26.262
26.787
25.865
28.082
29.017
28.157
29.332
29.144
30.451
27.937
30.458
31.601
30.168
31.193
30.682
30.174
29.533
31.174
31.751
32.953
30.887
31.314
30.138
32.228
33.223
31.902
32.733
32.142
33.014
32.807
34.031
33.599
34.828
34.611
35.423
34.053
35.108
34.012
35.187
34.836
36.020
37.037
35.907
36.080
37.295
35.505
36.306
35.533
34.257
36.917
38.020
36.204
36.714
35.719
36.368
5.251
5.805
5.386
5.666
6.638
6.765
6.475
6.495
6.240
4.760
3.993
4.663
7.838
7.933
8.919
10.237
11.356
11.572
12.719
11.780
10.347
10.891
9.824
9.907
9.291
9.162
9.595
8.008
7.183
5.915
5.102
5.167
7.943
7.842
8.716
9.457
10.103
9.026
9.628
10.023
10.504
10.761
11.147
12.178
12.853
11.609
12.225
10.419
9.834
8.528
7.995
8.380
7.110
7.890
6.617
7.008
6.506
9.500
9.760
8.922
8.468
7.776
6.925
6.881
6.297
9.636
9.550
10.766
11.916
13.048
13.829
12.466
13.010
12.360
12.879
12.638
12.884
S79
1.00142.59
1.00142.59
1.00142.59
1.00142.59
1.00142.59
1.00142.59
1.00 53.06
1.00 53.06
1.00 53.06
1.00 53.06
1.00 53.06
1.00 53.06
1.00 53.06
1.00 53.06
1.00 52.49
1.00 52.49
1.00 52.49
1.00 52.49
1.00 52.49
1.00 52.49
1.00 52.49
1.00 52.49
1.00 32.11
1.00 32.11
1.00 32.11
1.00 32.11
1.00 32.11
1.00 31.87
1.00 31.87
1.00 31.87
1.00 31.87
1.00 31.87
1.00 31.87
1.00 31.87
1.00 44.75
1.00 44.75
1.00 44.75
1.00 44.75
1.00 44.75
1.00 44.75
1.00 44.75
1.00 44.75
1.00 32.78
1.00 32.78
1.00 32.78
1.00 32.78
1.00 32.78
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00135.64
1.00 48.08
1.00 48.08
1.00 48.08
1.00 48.08
1.00 48.08
1.00 48.08
1.00 48.08
1.00 48.08
1.00 87.53
1.00 87.53
1.00 87.53
1.00 87.53
1.00 87.53
1.00 87.53
1.00 56.64
1.00 56.64
1.00 56.64
1.00 56.64
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
123
123
123
123
123
123
123
123
124
124
124
124
124
124
124
125
125
125
125
125
126
126
126
126
126
126
126
126
127
127
127
127
127
127
128
128
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
131
131
131
131
131
131
131
131
131
131
132
132
132
132
132
132
132
132
-17.746
-17.475
-16.521
-16.251
-15.772
-14.515
-20.388
-20.105
-20.448
-20.118
-20.068
-18.952
-21.460
-21.133
-20.799
-22.415
-23.433
-24.836
-23.192
-23.245
-22.901
-22.731
-22.759
-21.480
-22.982
-23.432
-21.490
-21.463
-20.397
-19.150
-17.954
-18.102
-19.203
-18.605
-19.920
-19.838
-17.938
-19.229
-20.295
-18.018
-19.263
-17.258
-20.513
-21.463
-19.974
-20.449
-18.950
-19.513
-18.964
-21.884
-22.608
-22.314
-23.724
-24.120
-23.881
-24.824
-22.406
-24.144
-24.226
-24.435
-24.668
-25.394
-25.729
-24.773
-27.541
-27.043
-26.515
-25.918
-26.920
-25.830
-26.883
-28.117
-27.672
-27.505
-27.425
-27.094
-27.014
36.542
36.786
37.138
37.381
37.556
38.166
37.995
39.004
38.002
39.192
38.999
37.992
38.586
40.252
41.428
39.865
40.855
40.232
41.601
42.830
40.875
41.489
40.520
39.666
41.285
40.395
42.331
43.334
41.896
42.617
41.794
41.320
43.906
44.900
43.943
45.097
44.592
44.122
44.842
42.698
42.964
43.700
46.325
46.275
47.455
48.764
47.502
49.755
48.960
48.923
49.614
48.348
48.341
48.225
49.498
50.636
49.916
47.085
46.022
47.209
46.085
48.944
47.615
46.481
48.894
47.605
49.662
45.364
45.955
44.028
43.080
43.418
43.380
42.180
44.544
42.136
44.505
14.158
11.815
14.360
12.011
13.286
13.490
12.174
12.818
10.827
10.092
8.605
8.292
8.097
10.366
10.499
10.460
10.634
10.725
11.909
11.931
13.005
14.295
15.450
15.427
16.769
17.927
14.365
15.077
13.706
13.726
13.198
11.451
12.945
13.355
11.804
10.942
8.620
8.723
9.497
7.460
8.009
7.853
11.476
12.259
11.066
11.429
10.035
10.738
9.540
11.036
11.752
9.893
9.638
8.152
7.317
7.749
7.334
10.312
9.701
11.615
12.463
13.986
14.150
13.944
14.564
14.502
14.245
12.094
11.697
12.215
12.041
12.898
14.323
14.970
15.018
16.282
16.332
S80
1.00 56.64
1.00 56.64
1.00 56.64
1.00 56.64
1.00 56.64
1.00 56.64
1.00 56.64
1.00 56.64
1.00 94.21
1.00 94.21
1.00 94.21
1.00 94.21
1.00 94.21
1.00 94.21
1.00 94.21
1.00 34.81
1.00 34.81
1.00 34.81
1.00 34.81
1.00 34.81
1.00 74.99
1.00 74.99
1.00 74.99
1.00 74.99
1.00 74.99
1.00 74.99
1.00 74.99
1.00 74.99
1.00 96.39
1.00 96.39
1.00 96.39
1.00 96.39
1.00 96.39
1.00 96.39
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00100.00
1.00144.23
1.00144.23
1.00144.23
1.00144.23
1.00144.23
1.00144.23
1.00144.23
1.00108.25
1.00108.25
1.00108.25
1.00108.25
1.00108.25
1.00108.25
1.00108.25
1.00108.25
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00126.85
1.00228.41
1.00228.41
1.00228.41
1.00228.41
1.00228.41
1.00228.41
1.00228.41
1.00228.41
C
C
C
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
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
CZ
OH
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
132
132
132
132
133
133
133
133
133
133
133
133
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
138
138
138
138
138
138
138
139
139
139
139
140
140
140
140
140
140
140
140
141
141
141
141
141
141
142
142
142
142
142
142
142
142
143
143
-26.842
-26.419
-27.291
-28.066
-26.742
-27.116
-27.054
-25.596
-27.683
-27.893
-26.154
-24.946
-26.683
-25.819
-26.610
-27.363
-28.190
-26.394
-25.084
-25.601
-23.826
-23.067
-21.655
-20.915
-21.630
-20.258
-23.745
-23.825
-24.261
-24.803
-24.992
-23.704
-22.346
-21.186
-26.152
-26.932
-26.426
-27.702
-27.634
-27.173
-28.510
-28.001
-29.766
-30.558
-30.584
-32.019
-31.945
-30.113
-30.295
-29.557
-29.103
-27.929
-27.791
-27.041
-25.844
-25.036
-24.521
-23.729
-23.720
-26.261
-25.672
-27.314
-27.785
-29.002
-29.602
-28.218
-27.971
-28.890
-29.335
-30.163
-30.224
-31.546
-32.383
-28.149
-28.166
-27.079
-25.949
43.299
43.250
43.004
42.125
43.862
43.685
44.910
45.382
44.598
45.826
42.693
42.787
41.670
40.670
39.443
38.796
37.576
38.481
41.309
42.203
40.895
41.510
41.004
41.325
39.517
39.045
41.211
42.064
39.974
39.477
37.954
37.211
37.452
36.432
40.053
40.393
40.181
40.597
41.254
40.322
39.340
38.254
39.440
38.251
40.596
38.708
40.244
37.376
36.164
37.959
37.192
36.363
35.211
36.960
36.315
37.206
38.526
39.335
38.283
35.144
34.068
35.347
34.347
34.802
33.502
33.140
32.014
33.340
32.211
32.563
31.308
33.090
32.058
31.436
30.207
32.122
31.404
16.965
18.310
10.609
10.240
9.731
8.363
7.497
7.410
6.128
5.244
7.819
8.024
7.137
6.605
6.124
7.307
6.892
8.455
5.477
4.811
5.259
4.212
4.094
5.404
3.708
3.226
2.912
2.029
2.775
1.543
1.558
1.903
0.724
1.678
1.223
2.110
-0.096
-0.615
-2.007
-2.974
-0.747
-0.498
-1.101
-1.245
-0.789
-1.308
-1.416
-2.377
-2.282
-3.458
-4.584
-4.172
-4.581
-3.355
-2.890
-1.930
-2.533
-1.493
-3.822
-2.065
-2.146
-1.253
-0.344
0.478
1.601
-1.109
-0.682
-2.256
-3.020
-4.220
-5.103
-3.798
-3.039
-3.504
-3.503
-3.942
-4.459
S81
1.00228.41
1.00228.41
1.00228.41
1.00228.41
1.00126.00
1.00126.00
1.00126.00
1.00126.00
1.00126.00
1.00126.00
1.00126.00
1.00126.00
1.00 91.45
1.00 91.45
1.00 91.45
1.00 91.45
1.00 91.45
1.00 91.45
1.00 91.45
1.00 91.45
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00 93.26
1.00128.96
1.00128.96
1.00128.96
1.00128.96
1.00128.96
1.00128.96
1.00128.96
1.00128.96
1.00108.40
1.00108.40
1.00108.40
1.00108.40
1.00108.40
1.00108.40
1.00 95.89
1.00 95.89
1.00 95.89
1.00 95.89
1.00 95.89
1.00 95.89
1.00 95.89
1.00 17.69
1.00 17.69
1.00 17.69
1.00 17.69
1.00 39.45
1.00 39.45
1.00 39.45
1.00 39.45
1.00 39.45
1.00 39.45
1.00 39.45
1.00 39.45
1.00 68.84
1.00 68.84
1.00 68.84
1.00 68.84
1.00 68.84
1.00 68.84
1.00 86.25
1.00 86.25
1.00 86.25
1.00 86.25
1.00 86.25
1.00 86.25
1.00 86.25
1.00 86.25
1.00 29.28
1.00 29.28
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1119
1120
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
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
143
143
143
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145
145
145
145
145
145
145
146
146
146
146
146
146
147
147
147
147
147
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
151
151
151
151
151
151
151
151
152
152
152
152
152
152
-24.805
-23.737
-23.831
-22.648
-22.862
-21.674
-21.779
-25.392
-25.089
-25.251
-24.663
-24.502
-23.761
-23.533
-24.471
-25.531
-25.028
-26.861
-27.732
-29.155
-29.182
-29.730
-27.694
-27.585
-27.754
-27.762
-27.866
-29.130
-26.481
-26.458
-25.377
-24.096
-22.962
-24.148
-23.616
-24.809
-24.847
-25.619
-25.598
-25.513
-25.070
-26.598
-27.234
-28.519
-29.757
-30.693
-30.278
-31.490
-31.757
-30.669
-32.831
-31.736
-32.796
-26.306
-26.239
-25.572
-24.731
-24.084
-23.057
-25.161
-24.614
-23.660
-23.437
-22.975
-21.920
-21.100
-20.090
-20.798
-20.991
-22.500
-21.921
-23.679
-24.418
-25.770
-26.714
-26.295
-28.036
32.317
31.424
30.934
31.073
30.107
30.246
29.762
30.543
29.371
31.106
30.364
31.228
30.586
31.627
29.340
29.179
28.069
29.377
28.292
28.718
29.723
29.256
27.235
26.049
27.636
26.663
27.296
27.926
25.900
24.687
26.599
25.965
26.944
24.951
23.854
25.286
24.386
24.961
24.040
23.118
22.025
23.213
22.007
22.235
22.495
21.448
23.647
23.385
22.038
20.116
21.289
19.361
19.938
21.221
19.999
21.889
21.143
21.997
21.137
22.609
23.640
20.431
19.239
21.110
20.419
21.318
22.205
23.536
22.522
19.287
18.204
19.524
18.580
19.208
18.176
17.141
18.481
-4.932
-5.465
-6.747
-4.698
-7.260
-5.206
-6.488
-3.372
-3.589
-2.159
-1.085
0.189
1.387
2.495
1.942
-0.787
-0.622
-0.714
-0.364
-0.149
1.018
-1.466
-1.425
-1.121
-2.708
-3.761
-5.158
-5.307
-3.685
-3.888
-3.369
-3.284
-2.941
-2.190
-2.328
-1.067
0.049
1.251
2.330
-0.384
-0.033
-1.171
-1.612
-2.415
-1.601
-1.288
-1.085
-0.488
-0.604
-1.571
-0.202
-1.134
-0.465
-2.485
-2.373
-3.394
-4.284
-5.335
-6.088
-6.249
-7.234
-3.512
-3.722
-2.575
-1.885
-0.948
-1.684
-2.694
-4.188
-1.093
-1.023
-0.489
0.303
0.701
1.284
1.801
1.160
S82
1.00 29.28
1.00 29.28
1.00 29.28
1.00 29.28
1.00 29.28
1.00 29.28
1.00 29.28
1.00 29.28
1.00 29.28
1.00 85.76
1.00 85.76
1.00 85.76
1.00 85.76
1.00 85.76
1.00 85.76
1.00 85.76
1.00 85.76
1.00 93.73
1.00 93.73
1.00 93.73
1.00 93.73
1.00 93.73
1.00 93.73
1.00 93.73
1.00 65.30
1.00 65.30
1.00 65.30
1.00 65.30
1.00 65.30
1.00 65.30
1.00 22.72
1.00 22.72
1.00 22.72
1.00 22.72
1.00 22.72
1.00 68.28
1.00 68.28
1.00 68.28
1.00 68.28
1.00 68.28
1.00 68.28
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 79.51
1.00 37.52
1.00 37.52
1.00 37.52
1.00 37.52
1.00 37.52
1.00 37.52
1.00 37.52
1.00 37.52
1.00109.73
1.00109.73
1.00109.73
1.00109.73
1.00109.73
1.00109.73
1.00109.73
1.00109.73
1.00 98.01
1.00 98.01
1.00 98.01
1.00 98.01
1.00 98.01
1.00 98.01
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
ASN
ASN
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
152
152
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
155
155
155
155
156
156
156
156
156
156
157
157
157
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
160
160
160
161
161
161
161
161
161
161
161
162
162
162
162
162
-24.698
-24.510
-25.164
-25.492
-26.122
-24.257
-24.257
-23.153
-21.970
-20.820
-20.991
-20.956
-22.243
-21.478
-21.026
-21.522
-21.034
-18.862
-20.219
-20.863
-19.808
-20.785
-18.669
-21.927
-21.432
-23.264
-24.192
-25.588
-26.160
-24.377
-24.195
-24.761
-25.175
-25.710
-26.501
-26.836
-25.812
-24.049
-24.247
-22.833
-21.780
-20.470
-20.556
-19.202
-21.107
-21.427
-21.379
-21.200
-20.761
-18.953
-19.192
-20.451
-17.173
-18.094
-17.732
-21.816
-21.505
-23.092
-24.155
-25.480
-26.481
-25.865
-24.311
-24.413
-24.345
-24.501
-24.654
-26.052
-26.155
-27.159
-23.302
-23.420
-22.113
-20.853
-19.624
-19.500
-18.139
17.376
16.242
17.601
16.532
17.041
15.769
14.539
16.477
15.771
16.669
17.165
15.989
18.032
14.929
13.807
15.441
14.644
14.302
14.485
15.391
12.952
13.654
13.376
13.467
12.395
13.650
12.588
13.120
13.780
11.604
10.400
12.123
11.373
12.352
11.765
12.861
10.567
10.557
9.396
11.129
10.447
11.263
12.552
13.278
12.272
9.140
8.109
9.135
7.949
10.247
8.977
8.194
9.672
8.640
10.615
6.884
5.709
7.260
6.296
6.883
5.880
8.002
5.682
4.462
6.505
5.965
7.007
7.637
8.444
6.575
5.149
4.092
5.642
5.013
5.887
7.120
7.811
-0.540
-0.102
-1.781
-2.679
-3.987
-3.038
-3.041
-3.341
-3.735
-4.230
-5.685
-6.675
-5.872
-2.603
-2.820
-1.360
-0.273
2.181
2.069
1.059
3.671
2.987
3.154
0.004
0.341
-0.034
0.271
0.636
-0.484
-0.850
-0.681
-2.031
-3.190
-4.264
-5.456
-6.477
-6.118
-3.775
-4.133
-3.885
-4.596
-4.697
-5.545
-5.600
-6.951
-3.949
-4.618
-2.624
-1.942
-0.662
-0.190
-0.453
0.541
0.545
-0.196
-2.006
-2.201
-1.808
-1.809
-1.405
-1.359
-2.391
-3.172
-3.287
-4.242
-5.565
-6.690
-6.820
-8.126
-6.702
-5.924
-6.543
-5.541
-5.815
-5.503
-6.420
-6.242
S83
1.00 98.01
1.00 98.01
1.00 33.08
1.00 33.08
1.00 33.08
1.00 33.08
1.00 33.08
1.00144.52
1.00144.52
1.00144.52
1.00144.52
1.00144.52
1.00144.52
1.00144.52
1.00144.52
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00130.55
1.00 62.27
1.00 62.27
1.00 62.27
1.00 62.27
1.00 62.27
1.00 62.27
1.00109.43
1.00109.43
1.00109.43
1.00109.43
1.00109.43
1.00109.43
1.00109.43
1.00109.43
1.00 52.70
1.00 52.70
1.00 52.70
1.00 52.70
1.00 52.70
1.00 52.70
1.00 52.70
1.00 52.70
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00 75.49
1.00112.46
1.00112.46
1.00112.46
1.00112.46
1.00112.46
1.00112.46
1.00112.46
1.00 60.62
1.00 60.62
1.00 60.62
1.00 60.62
1.00 60.62
1.00 60.62
1.00 60.62
1.00 60.62
1.00 67.55
1.00 67.55
1.00 67.55
1.00 67.55
1.00 67.55
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
162
162
162
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
167
167
168
168
168
168
168
168
168
168
168
168
168
169
169
169
169
169
169
170
170
170
170
170
171
171
171
171
171
171
171
171
172
172
172
172
172
172
172
172
-19.806
-20.747
-19.972
-21.544
-21.447
-21.702
-23.137
-23.357
-25.114
-20.073
-19.526
-19.478
-18.210
-17.660
-17.272
-17.114
-17.100
-18.401
-17.528
-19.572
-19.907
-21.273
-22.292
-19.971
-19.668
-20.338
-20.619
-21.124
-22.468
-22.976
-23.493
-19.438
-18.288
-19.737
-18.770
-19.191
-18.232
-18.658
-19.479
-17.617
-17.531
-16.091
-16.179
-16.513
-15.915
-16.599
-15.999
-16.341
-18.149
-17.635
-19.295
-19.959
-20.635
-21.833
-21.062
-21.253
-21.802
-22.951
-23.086
-24.108
-24.271
-24.941
-26.053
-25.794
-25.600
-24.933
-26.205
-27.173
-27.025
-28.342
-29.442
-30.375
-30.887
-30.795
-31.244
-31.417
-30.613
6.762
3.729
2.850
3.575
2.433
1.093
0.865
-0.731
-0.522
2.374
1.291
3.550
3.646
5.083
5.521
4.697
6.857
3.225
2.598
3.573
3.397
4.010
3.345
1.955
1.625
1.052
-0.316
-1.134
-0.598
-1.419
-0.490
-1.027
-0.802
-1.901
-2.721
-3.104
-3.976
-3.996
-4.290
-4.794
-6.059
-6.527
-7.733
-7.592
-8.994
-8.685
-10.092
-9.939
-7.033
-7.265
-7.617
-8.530
-7.821
-6.589
-9.144
-8.820
-10.076
-10.609
-12.135
-9.991
-10.168
-9.230
-8.592
-7.128
-6.268
-6.664
-5.050
-8.599
-9.053
-8.092
-8.143
-8.891
-9.094
-8.076
-10.936
-10.349
-10.024
-7.883
-5.045
-5.416
-3.970
-3.098
-3.809
-4.295
-5.143
-5.556
-2.508
-2.280
-2.260
-1.592
-1.543
-2.948
-3.847
-3.142
-0.163
0.435
0.408
1.798
2.138
1.402
2.214
3.361
1.289
1.638
0.441
-0.077
-1.269
1.066
2.217
1.842
3.200
3.867
5.295
5.878
3.103
2.234
3.401
2.737
2.459
1.591
0.265
2.082
-0.562
1.259
-0.064
3.683
4.775
3.291
4.169
5.348
4.751
3.383
2.213
4.011
3.350
3.482
4.057
5.264
3.322
3.952
4.360
3.116
2.162
3.130
2.975
1.841
3.393
2.488
5.557
4.297
3.203
5.547
4.306
6.264
S84
1.00 67.55
1.00 67.55
1.00 67.55
1.00125.98
1.00125.98
1.00125.98
1.00125.98
1.00125.98
1.00125.98
1.00125.98
1.00125.98
1.00 43.21
1.00 43.21
1.00 43.21
1.00 43.21
1.00 43.21
1.00 43.21
1.00 43.21
1.00 43.21
1.00 57.23
1.00 57.23
1.00 57.23
1.00 57.23
1.00 57.23
1.00 57.23
1.00 69.43
1.00 69.43
1.00 69.43
1.00 69.43
1.00 69.43
1.00 69.43
1.00 69.43
1.00 69.43
1.00169.25
1.00169.25
1.00169.25
1.00169.25
1.00169.25
1.00169.25
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00263.12
1.00131.27
1.00131.27
1.00131.27
1.00131.27
1.00131.27
1.00131.27
1.00207.64
1.00207.64
1.00207.64
1.00207.64
1.00207.64
1.00267.42
1.00267.42
1.00267.42
1.00267.42
1.00267.42
1.00267.42
1.00267.42
1.00267.42
1.00163.46
1.00163.46
1.00163.46
1.00163.46
1.00163.46
1.00163.46
1.00163.46
1.00163.46
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
N
C
C
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
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
1421
1422
1423
1424
1425
1426
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG2
CG1
HIS
HIS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ILE
ILE
ILE
ILE
ILE
172
172
173
173
173
173
173
173
173
173
173
174
174
174
174
174
174
174
174
175
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
178
178
178
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
-29.347
-30.356
-28.106
-27.889
-26.399
-26.104
-24.596
-24.046
-23.971
-28.388
-29.073
-28.049
-28.476
-27.684
-26.279
-27.665
-26.966
-29.963
-30.561
-30.636
-32.060
-30.133
-32.550
-31.342
-32.712
-32.301
-33.743
-34.513
-36.168
-36.451
-35.530
-38.152
-37.668
-37.217
-35.307
-35.578
-35.697
-36.599
-36.800
-38.189
-39.229
-38.468
-40.526
-39.767
-40.797
-36.027
-36.758
-34.705
-34.183
-33.250
-34.053
-34.949
-33.906
-35.688
-34.642
-35.536
-33.425
-32.850
-33.443
-32.780
-33.783
-33.035
-32.095
-32.601
-30.911
-30.162
-29.721
-30.948
-32.071
-30.780
-28.922
-28.270
-28.551
-27.394
-27.594
-28.717
-27.906
-6.972
-6.434
-6.567
-5.501
-5.181
-3.932
-3.788
-3.465
-4.005
-6.012
-5.313
-7.281
-7.904
-9.138
-8.663
-10.233
-11.509
-8.105
-7.980
-8.424
-8.536
-9.291
-9.408
-9.501
-7.196
-6.279
-7.080
-5.883
-8.464
-7.187
-6.018
-8.556
-7.261
-9.243
-5.648
-4.512
-6.760
-6.846
-8.335
-8.590
-8.515
-8.953
-8.756
-9.198
-9.099
-6.128
-5.450
-6.246
-5.635
-6.561
-7.773
-7.761
-8.924
-8.882
-10.049
-10.027
-4.390
-4.272
-3.402
-2.146
-1.030
0.605
-1.755
-0.922
-2.345
-2.009
-3.231
-3.852
-3.330
-4.852
-1.316
-1.763
-0.194
0.514
2.007
2.247
2.622
1.573
1.122
1.264
0.341
0.196
-0.625
-0.621
0.466
-1.693
-0.965
-1.709
-1.261
-2.471
-2.861
-3.259
-1.790
-2.258
-2.473
-3.542
-1.398
-1.526
-0.350
-0.369
0.575
-1.599
-0.891
-2.453
-2.634
-4.000
-3.577
-3.777
-3.002
-2.968
-3.634
-1.390
-1.004
-0.750
0.358
0.701
1.183
0.282
2.480
0.663
2.866
1.965
1.549
2.270
1.804
2.998
3.788
4.119
5.162
3.380
5.456
3.669
4.711
2.651
1.569
3.575
3.356
2.985
2.717
4.629
5.382
4.901
6.081
6.911
7.568
7.336
8.317
5.613
4.670
6.264
5.801
5.740
4.721
7.114
S85
1.00163.46
1.00163.46
1.00 92.33
1.00 92.33
1.00 92.33
1.00 92.33
1.00 92.33
1.00 92.33
1.00 92.33
1.00 92.33
1.00 92.33
1.00120.27
1.00120.27
1.00120.27
1.00120.27
1.00120.27
1.00120.27
1.00120.27
1.00120.27
1.00 93.14
1.00 93.14
1.00 93.14
1.00 93.14
1.00 93.14
1.00 93.14
1.00 93.14
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00 95.62
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00153.51
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00159.95
1.00 78.21
1.00 78.21
1.00 78.21
1.00 78.21
1.00 78.21
1.00 78.21
1.00 57.03
1.00 57.03
1.00 57.03
1.00 57.03
1.00 57.03
1.00 57.03
1.00 57.03
1.00 57.03
1.00168.31
1.00168.31
1.00168.31
1.00168.31
1.00168.31
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
CD1
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
ILE
ILE
ILE
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
181
181
181
182
182
182
182
182
182
182
182
183
183
183
183
183
183
183
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
187
187
187
187
187
187
187
187
188
188
188
188
188
188
189
189
189
189
189
189
190
190
190
190
190
190
190
191
191
191
191
191
191
191
191
192
192
-29.227
-26.239
-26.135
-25.314
-24.226
-24.098
-25.289
-26.298
-25.173
-22.960
-22.571
-22.352
-21.043
-23.081
-20.760
-22.154
-20.204
-19.172
-20.654
-20.037
-19.048
-18.512
-17.734
-17.709
-21.140
-21.929
-21.244
-22.269
-22.712
-24.040
-23.949
-25.196
-21.641
-20.432
-22.444
-21.911
-22.990
-22.398
-21.260
-20.240
-21.817
-21.257
-22.132
-21.527
-21.362
-22.323
-19.936
-19.858
-18.848
-17.532
-17.055
-17.803
-16.599
-16.955
-15.368
-14.368
-13.397
-14.222
-13.515
-13.784
-12.464
-11.535
-10.618
-9.860
-9.688
-10.719
-10.791
-9.904
-9.235
-8.295
-7.047
-6.319
-6.805
-10.324
-10.191
-11.406
-12.558
2.136
0.187
0.659
-0.641
-1.034
-2.560
-3.027
-3.478
-2.890
-0.517
-0.845
0.360
0.813
1.305
1.970
2.520
-0.385
-0.580
-1.174
-2.387
-2.160
-3.453
-4.297
-3.146
-3.232
-2.778
-4.488
-5.320
-6.447
-7.139
-7.948
-6.121
-5.904
-6.127
-6.151
-6.626
-6.800
-7.251
-7.954
-8.262
-8.769
-10.068
-10.922
-12.300
-13.142
-13.025
-9.887
-9.750
-9.896
-9.774
-8.325
-7.698
-10.457
-10.757
-10.721
-11.428
-12.215
-13.392
-10.412
-9.214
-10.886
-9.962
-10.555
-9.534
-11.570
-9.512
-10.116
-8.454
-7.904
-8.918
-9.100
-8.092
-10.244
-7.564
-7.790
-7.013
-6.817
7.712
6.686
7.816
6.172
7.007
7.134
7.956
7.417
9.304
6.420
5.304
7.159
6.811
7.985
7.763
8.118
7.076
6.436
8.069
8.498
9.649
10.282
9.264
11.555
9.036
9.863
8.570
9.119
8.164
8.534
9.833
8.524
10.345
10.378
11.396
12.641
13.727
14.940
12.414
13.028
11.500
11.254
10.321
10.001
11.275
8.901
10.579
9.359
11.375
10.826
10.641
9.606
11.772
12.911
11.295
12.039
11.140
10.025
12.721
12.666
13.416
13.979
15.010
15.639
14.326
12.817
11.746
12.997
11.855
11.172
12.022
12.207
12.502
10.881
9.681
11.369
10.537
S86
1.00168.31
1.00168.31
1.00168.31
1.00 85.90
1.00 85.90
1.00 85.90
1.00 85.90
1.00 85.90
1.00 85.90
1.00 85.90
1.00 85.90
1.00269.56
1.00269.56
1.00269.56
1.00269.56
1.00269.56
1.00269.56
1.00269.56
1.00300.24
1.00300.24
1.00300.24
1.00300.24
1.00300.24
1.00300.24
1.00300.24
1.00300.24
1.00280.75
1.00280.75
1.00280.75
1.00280.75
1.00280.75
1.00280.75
1.00280.75
1.00280.75
1.00 98.68
1.00 98.68
1.00 98.68
1.00 98.68
1.00 98.68
1.00 98.68
1.00242.97
1.00242.97
1.00242.97
1.00242.97
1.00242.97
1.00242.97
1.00242.97
1.00242.97
1.00199.46
1.00199.46
1.00199.46
1.00199.46
1.00199.46
1.00199.46
1.00 72.36
1.00 72.36
1.00 72.36
1.00 72.36
1.00 72.36
1.00 72.36
1.00235.22
1.00235.22
1.00235.22
1.00235.22
1.00235.22
1.00235.22
1.00235.22
1.00214.14
1.00214.14
1.00214.14
1.00214.14
1.00214.14
1.00214.14
1.00214.14
1.00214.14
1.00110.04
1.00110.04
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
S
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
192
192
192
192
192
193
193
193
193
193
193
193
193
193
193
193
194
194
194
194
194
194
194
195
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
200
200
200
200
200
200
200
200
200
200
200
201
201
201
-11.375
-13.563
-12.657
-12.246
-11.409
-12.907
-12.802
-12.506
-11.029
-10.301
-10.375
-8.935
-9.008
-8.288
-14.111
-15.163
-14.059
-15.230
-15.882
-17.111
-14.914
-14.738
-13.533
-15.653
-15.106
-15.774
-15.115
-14.502
-15.219
-15.216
-16.200
-14.172
-14.034
-12.786
-12.566
-11.315
-10.948
-10.712
-13.842
-14.274
-13.179
-12.856
-12.097
-10.734
-10.013
-9.867
-14.116
-14.241
-15.103
-16.281
-17.245
-16.553
-17.729
-16.991
-17.453
-17.067
-17.843
-17.863
-18.239
-16.532
-16.355
-17.251
-17.969
-15.917
-15.254
-13.770
-13.209
-13.454
-12.441
-12.939
-11.918
-12.170
-15.324
-15.697
-14.989
-14.874
-14.374
-6.034
-6.079
-5.199
-5.992
-5.094
-6.305
-5.503
-6.284
-6.389
-7.173
-5.697
-7.253
-5.775
-6.555
-4.814
-5.449
-3.475
-2.675
-2.275
-1.617
-1.337
-1.409
-1.232
-0.494
0.751
1.361
0.691
1.359
-0.663
1.681
2.398
1.645
2.484
2.101
2.898
2.350
1.177
3.096
3.861
4.854
3.935
5.196
5.048
4.340
4.247
4.992
5.942
7.116
5.297
6.029
5.241
4.877
4.021
6.467
7.604
5.586
5.899
4.763
3.528
4.543
5.415
7.108
8.028
7.124
8.215
7.923
9.132
9.357
10.025
10.468
11.139
11.360
9.429
10.506
9.262
10.379
9.991
12.452
11.412
12.292
9.333
9.414
8.201
7.021
5.730
5.616
6.483
4.626
6.361
4.499
5.370
6.844
6.809
6.769
6.581
7.868
7.620
8.614
5.983
5.815
5.613
5.192
3.953
2.756
1.925
2.677
6.349
6.519
7.194
8.344
9.175
10.468
11.159
10.876
11.975
7.804
8.386
6.637
6.047
4.713
4.842
3.486
5.929
5.753
6.120
5.114
4.758
3.915
2.592
4.712
5.998
6.089
7.008
8.171
9.161
8.337
9.904
11.150
8.818
9.207
8.957
9.591
9.851
10.511
11.845
9.808
12.469
10.429
11.760
8.728
9.183
7.431
6.544
5.177
S87
1.00110.04
1.00110.04
1.00110.04
1.00110.04
1.00110.04
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00198.18
1.00281.28
1.00281.28
1.00281.28
1.00281.28
1.00281.28
1.00281.28
1.00281.28
1.00181.35
1.00181.35
1.00181.35
1.00181.35
1.00181.35
1.00181.35
1.00181.35
1.00181.35
1.00 87.83
1.00 87.83
1.00 87.83
1.00 87.83
1.00 87.83
1.00 87.83
1.00 87.83
1.00 87.83
1.00 87.83
1.00 48.68
1.00 48.68
1.00 48.68
1.00 48.68
1.00 48.68
1.00 48.68
1.00 48.68
1.00 48.68
1.00 97.67
1.00 97.67
1.00 97.67
1.00 97.67
1.00 97.67
1.00 97.67
1.00 97.67
1.00139.60
1.00139.60
1.00139.60
1.00139.60
1.00139.60
1.00139.60
1.00139.60
1.00139.60
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 93.49
1.00 92.57
1.00 92.57
1.00 92.57
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
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
CG2
CG1
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
201
201
201
201
201
202
202
202
202
202
202
202
203
203
203
203
204
204
204
204
205
205
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
210
210
210
210
210
210
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
213
-12.960
-15.349
-15.108
-16.191
-16.280
-17.258
-18.521
-19.593
-20.801
-19.809
-18.982
-19.441
-18.855
-19.330
-18.567
-19.142
-17.239
-16.494
-16.891
-17.194
-16.896
-17.185
-16.903
-17.199
-16.542
-18.709
-18.606
-18.887
-19.555
-20.906
-21.932
-23.230
-21.892
-21.251
-21.728
-21.117
-21.441
-20.392
-20.621
-19.200
-18.224
-17.046
-17.438
-16.210
-18.179
-17.639
-17.514
-17.250
-16.570
-16.096
-17.289
-15.353
-14.604
-17.475
-17.104
-18.706
-19.703
-20.924
-22.047
-20.114
-20.342
-20.257
-20.677
-20.992
-22.176
-19.726
-19.632
-19.947
-18.353
-17.329
-15.946
-15.886
-14.481
-16.424
-17.228
-17.148
-17.234
9.415
9.028
8.897
11.057
12.281
10.282
10.898
9.913
10.600
8.919
11.649
12.783
11.033
11.634
12.884
13.869
12.871
14.050
15.180
16.274
14.941
16.004
15.640
16.742
16.392
16.969
16.431
17.626
15.480
15.947
14.866
15.435
13.783
16.647
17.780
15.953
16.501
17.294
18.436
16.695
17.201
16.235
14.893
13.983
15.090
18.526
19.396
18.722
19.941
19.978
19.702
21.298
21.314
21.110
22.086
21.000
22.023
21.520
22.835
22.321
23.475
21.275
21.463
20.175
19.510
19.303
22.183
23.103
21.795
22.375
21.750
20.236
19.666
19.903
23.839
24.654
24.212
5.346
4.476
2.972
6.365
6.460
6.119
5.841
5.461
5.169
6.613
7.039
6.928
8.226
9.436
9.722
10.183
9.509
9.833
8.936
9.407
7.609
6.695
5.219
4.166
2.825
3.942
6.813
6.885
6.803
6.802
6.534
6.466
7.627
8.083
8.041
9.238
10.529
11.268
11.656
11.468
12.408
12.598
13.243
13.388
14.577
12.046
12.906
10.774
10.438
9.006
8.073
8.723
7.390
10.657
11.305
10.142
10.152
9.377
8.877
11.564
11.924
12.398
13.758
14.467
13.745
14.547
14.557
15.311
14.409
15.227
14.967
15.257
14.998
16.658
14.943
15.862
13.651
S88
1.00 92.57
1.00 92.57
1.00 92.57
1.00 92.57
1.00 92.57
1.00104.18
1.00104.18
1.00104.18
1.00104.18
1.00104.18
1.00104.18
1.00104.18
1.00 30.91
1.00 30.91
1.00 30.91
1.00 30.91
1.00 30.79
1.00 30.79
1.00 30.79
1.00 30.79
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00102.04
1.00142.11
1.00142.11
1.00142.11
1.00142.11
1.00142.11
1.00142.11
1.00142.11
1.00 75.66
1.00 75.66
1.00 75.66
1.00 75.66
1.00 65.71
1.00 65.71
1.00 65.71
1.00 65.71
1.00 65.71
1.00 65.71
1.00 65.71
1.00 65.71
1.00 89.72
1.00 89.72
1.00 89.72
1.00 89.72
1.00 89.72
1.00 89.72
1.00 89.72
1.00 89.72
1.00 77.25
1.00 77.25
1.00 77.25
1.00 77.25
1.00 77.25
1.00 77.25
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00 95.18
1.00136.19
1.00136.19
1.00136.19
1.00136.19
1.00136.19
1.00136.19
1.00136.19
1.00136.19
1.00 72.18
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1658
1659
1660
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
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
213
213
213
213
213
214
214
214
214
214
214
214
214
215
215
215
215
215
215
215
215
216
216
216
216
216
216
216
216
217
217
217
217
217
217
218
218
218
218
218
218
218
218
218
218
218
218
219
219
219
219
219
219
219
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
222
222
222
-17.103
-16.906
-18.182
-18.302
-18.178
-19.498
-20.715
-21.932
-23.276
-23.623
-24.388
-20.658
-20.921
-20.277
-20.266
-19.970
-18.528
-20.282
-20.314
-19.253
-19.533
-18.047
-17.003
-15.677
-15.789
-14.552
-13.145
-17.376
-17.225
-17.883
-18.199
-18.581
-17.473
-19.362
-19.411
-20.342
-21.530
-22.645
-23.909
-24.385
-24.608
-25.544
-25.770
-26.234
-27.425
-21.202
-21.844
-20.236
-19.916
-18.910
-18.855
-17.527
-19.380
-19.709
-18.549
-17.965
-16.852
-17.403
-18.281
-16.864
-19.048
-18.914
-20.140
-21.264
-22.353
-23.583
-21.786
-21.819
-22.167
-21.906
-22.440
-22.405
-23.242
-24.616
-22.641
-25.380
-23.398
25.588
25.779
24.955
26.363
27.489
25.762
26.442
25.515
26.183
27.241
25.143
26.846
27.999
25.906
26.175
24.952
24.485
25.223
23.954
27.233
28.160
27.129
28.058
27.673
27.715
28.546
28.029
29.432
30.404
29.559
30.859
30.844
30.414
31.436
32.633
30.593
31.088
30.035
30.818
31.307
31.071
32.039
31.805
32.293
33.045
31.576
32.498
30.936
31.373
30.511
30.873
30.683
32.774
33.598
33.087
34.398
34.536
34.437
35.201
33.473
35.401
36.573
34.966
35.818
35.091
36.004
34.613
36.256
37.421
35.320
35.617
34.424
33.298
33.368
32.149
32.314
31.093
13.276
11.763
10.770
13.727
14.206
13.614
13.944
13.785
14.115
13.055
14.327
15.384
15.724
16.266
17.672
18.500
18.231
19.979
20.831
17.983
18.741
17.394
17.707
17.103
15.569
17.685
17.384
17.241
17.978
16.004
15.489
14.000
13.222
16.234
16.502
16.588
17.213
17.310
17.323
16.127
18.476
16.061
18.414
17.216
17.170
18.590
19.088
19.278
20.608
21.329
22.703
20.686
20.542
21.393
19.521
19.408
18.337
16.926
16.529
16.131
19.152
19.496
18.496
18.233
17.498
17.379
16.151
19.557
19.740
20.524
21.825
22.799
22.306
22.333
21.844
21.889
21.400
S89
1.00 72.18
1.00 72.18
1.00 72.18
1.00 72.18
1.00 72.18
1.00 45.57
1.00 45.57
1.00 45.57
1.00 45.57
1.00 45.57
1.00 45.57
1.00 45.57
1.00 45.57
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 76.94
1.00 76.94
1.00 76.94
1.00 76.94
1.00 76.94
1.00 76.94
1.00 76.94
1.00 76.94
1.00 29.58
1.00 29.58
1.00 29.58
1.00 29.58
1.00 29.58
1.00 29.58
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 87.05
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00 96.45
1.00106.07
1.00106.07
1.00106.07
1.00106.07
1.00106.07
1.00106.07
1.00106.07
1.00106.07
1.00 39.72
1.00 39.72
1.00 39.72
1.00 39.72
1.00 39.72
1.00 39.72
1.00 39.72
1.00 56.71
1.00 56.71
1.00 56.71
1.00 56.71
1.00 56.71
1.00 56.71
1.00 56.71
1.00 56.71
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
222
222
222
223
223
223
223
223
223
224
224
224
224
224
224
224
225
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
230
230
230
230
230
230
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
-24.771
-21.572
-22.061
-20.244
-19.409
-17.912
-17.441
-19.585
-19.685
-19.653
-19.751
-19.748
-20.913
-18.488
-21.034
-21.057
-22.143
-23.414
-24.588
-24.454
-25.902
-27.141
-23.441
-23.936
-22.895
-23.000
-22.323
-22.398
-21.465
-23.854
-22.332
-22.878
-21.135
-20.417
-18.994
-18.950
-17.601
-17.523
-16.323
-21.148
-21.331
-21.614
-22.132
-22.224
-22.954
-20.824
-20.838
-23.437
-23.473
-24.511
-25.715
-24.823
-26.881
-26.237
-25.985
-25.519
-26.734
-27.186
-27.763
-26.739
-28.279
-28.196
-29.337
-30.448
-31.666
-30.892
-30.846
-31.329
-31.766
-30.624
-29.610
-30.086
-29.375
-31.329
-32.707
-32.567
-33.719
31.176
36.641
37.619
36.446
37.375
37.019
37.100
38.729
39.725
38.809
40.100
40.040
39.377
39.283
40.744
41.910
39.986
40.566
39.652
38.443
40.429
39.619
41.021
42.109
40.223
40.606
39.601
39.951
41.107
40.189
41.923
42.824
42.089
43.291
43.289
42.937
43.190
44.541
44.588
44.510
45.448
44.544
45.808
45.919
47.229
45.817
45.626
46.216
47.306
45.456
46.035
44.718
45.554
45.147
45.746
44.727
46.637
46.331
47.548
48.503
45.311
44.216
45.654
44.764
45.109
44.928
46.028
43.830
43.977
43.868
45.019
46.106
47.071
45.941
42.867
41.745
43.179
21.420
22.488
23.050
22.450
23.148
23.087
21.752
22.545
23.259
21.205
20.592
19.094
18.624
18.641
21.013
21.406
20.969
21.287
21.079
22.011
21.273
20.895
22.708
22.992
23.643
25.022
25.983
27.490
27.891
27.926
25.207
25.843
24.624
24.903
24.307
22.820
22.144
21.435
20.573
24.434
25.209
23.171
22.732
21.227
20.884
20.597
19.080
23.378
23.959
23.366
23.930
22.147
23.070
21.740
25.368
25.874
26.049
27.373
28.114
28.350
27.244
27.798
26.476
26.281
27.156
24.864
24.318
24.217
22.861
21.827
21.843
20.887
20.609
20.362
22.536
23.021
21.707
S90
1.00 56.71
1.00 56.71
1.00 56.71
1.00 26.16
1.00 26.16
1.00 26.16
1.00 26.16
1.00 26.16
1.00 26.16
1.00101.50
1.00101.50
1.00101.50
1.00101.50
1.00101.50
1.00101.50
1.00101.50
1.00 96.99
1.00 96.99
1.00 96.99
1.00 96.99
1.00 96.99
1.00 96.99
1.00 96.99
1.00 96.99
1.00129.11
1.00129.11
1.00129.11
1.00129.11
1.00129.11
1.00129.11
1.00129.11
1.00129.11
1.00112.16
1.00112.16
1.00112.16
1.00112.16
1.00112.16
1.00112.16
1.00112.16
1.00112.16
1.00112.16
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00 81.06
1.00135.78
1.00135.78
1.00135.78
1.00135.78
1.00135.78
1.00135.78
1.00135.78
1.00129.20
1.00129.20
1.00129.20
1.00129.20
1.00129.20
1.00129.20
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 40.28
1.00 96.57
1.00 96.57
1.00 96.57
1.00 96.57
1.00 96.57
1.00 96.57
1.00 96.57
1.00 96.57
1.00 96.57
1.00 24.78
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
233
233
233
234
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
235
235
235
235
236
236
236
236
236
236
236
236
236
237
237
237
237
237
238
238
238
238
238
238
238
238
238
238
238
239
239
239
239
239
239
240
240
240
240
240
240
240
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
-34.605
-33.770
-33.969
-32.800
-31.934
-30.899
-31.531
-32.383
-33.879
-34.513
-31.186
-30.892
-30.833
-30.117
-29.725
-28.964
-28.551
-27.965
-27.135
-26.808
-26.642
-31.003
-30.549
-32.305
-33.202
-34.635
-34.725
-36.089
-36.503
-37.782
-33.228
-33.313
-33.142
-33.183
-33.051
-32.025
-32.162
-30.848
-29.671
-28.378
-28.091
-27.610
-28.298
-27.346
-28.035
-27.562
-29.854
-29.363
-30.535
-30.712
-31.420
-32.793
-31.543
-31.310
-32.528
-33.387
-34.426
-35.274
-35.251
-32.545
-32.701
-31.616
-30.772
-29.801
-30.665
-29.952
-29.756
-29.475
-28.650
-28.331
-27.673
-29.436
-28.886
-30.753
-31.643
-33.077
-33.959
42.180
41.336
40.129
41.992
41.360
42.328
43.458
42.962
42.892
44.197
40.275
39.239
40.491
39.468
39.827
38.671
38.898
37.614
37.591
38.754
36.403
38.274
37.140
38.499
37.392
37.799
38.420
39.025
40.140
40.729
36.684
35.459
37.439
36.823
37.835
35.882
34.781
36.295
35.478
36.168
37.205
36.848
38.534
37.807
39.496
39.133
34.243
33.180
34.347
33.180
33.456
33.744
32.182
30.978
32.659
31.766
32.469
33.256
31.411
30.969
29.753
31.635
30.935
31.865
33.038
29.959
28.823
30.375
29.530
30.142
31.392
28.298
27.200
28.472
27.410
27.918
26.829
21.194
20.287
20.161
19.624
18.676
18.085
17.273
16.102
16.410
16.117
19.377
18.784
20.657
21.357
22.797
23.453
24.906
25.385
26.467
27.106
26.923
21.460
21.321
21.715
21.835
22.205
23.599
23.912
22.952
23.404
20.518
20.467
19.408
18.112
16.963
18.001
17.470
18.508
18.422
18.881
17.856
16.615
18.138
15.669
17.193
15.956
19.237
18.864
20.392
21.207
22.545
22.328
20.456
20.559
19.667
18.940
18.111
18.937
17.358
17.997
17.894
17.289
16.365
15.614
14.527
17.145
16.720
18.333
19.147
20.523
20.392
19.457
19.519
19.676
20.045
20.275
20.508
S91
1.00 24.78
1.00 24.78
1.00 24.78
1.00127.36
1.00127.36
1.00127.36
1.00127.36
1.00127.36
1.00127.36
1.00127.36
1.00127.36
1.00127.36
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 97.11
1.00 61.98
1.00 61.98
1.00 61.98
1.00 61.98
1.00 61.98
1.00 61.98
1.00 61.98
1.00 61.98
1.00 61.98
1.00 24.85
1.00 24.85
1.00 24.85
1.00 24.85
1.00 24.85
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 98.22
1.00 70.20
1.00 70.20
1.00 70.20
1.00 70.20
1.00 70.20
1.00 70.20
1.00 31.01
1.00 31.01
1.00 31.01
1.00 31.01
1.00 31.01
1.00 31.01
1.00 31.01
1.00 26.16
1.00 26.16
1.00 26.16
1.00 26.16
1.00 26.16
1.00 26.16
1.00 75.66
1.00 75.66
1.00 75.66
1.00 75.66
1.00 75.66
1.00 75.66
1.00 74.85
1.00 74.85
1.00 74.85
1.00 74.85
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
S
C
O
N
C
C
O
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1889
1890
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900
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
1961
1962
1963
1964
1965
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
SER
SER
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
243
243
244
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
245
246
246
246
246
246
246
247
247
247
247
247
247
247
248
248
248
248
248
248
248
249
249
249
249
249
249
250
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
252
252
252
252
253
-31.710
-31.608
-31.874
-32.003
-32.611
-32.281
-32.306
-32.043
-31.944
-32.446
-30.748
-30.790
-29.589
-28.337
-27.161
-27.149
-28.473
-25.936
-28.102
-27.674
-28.393
-28.141
-28.422
-27.560
-29.012
-28.554
-30.298
-31.219
-32.626
-32.687
-33.576
-30.772
-30.803
-30.323
-29.905
-29.458
-28.895
-30.640
-28.737
-28.620
-27.841
-26.646
-25.819
-25.389
-26.993
-26.511
-27.859
-28.147
-28.968
-28.150
-27.774
-28.845
-28.846
-28.579
-29.769
-30.493
-31.630
-32.773
-32.875
-33.758
-33.939
-34.820
-34.911
-29.588
-29.720
-28.696
-27.749
-27.166
-28.215
-29.210
-28.208
-30.179
-29.173
-30.166
-26.559
-26.083
-26.038
26.399
25.199
26.863
25.947
24.421
25.756
26.661
24.898
26.034
23.956
25.144
23.926
25.810
25.129
26.111
26.813
27.539
27.739
24.156
23.028
24.557
23.719
24.456
25.581
22.499
21.386
22.675
21.574
22.006
22.523
20.832
20.574
19.369
21.046
20.150
20.851
19.792
21.652
19.364
18.170
20.030
19.419
20.394
21.504
18.256
17.145
18.471
17.411
17.828
18.644
20.023
18.699
16.272
15.117
16.551
15.477
15.959
16.348
17.606
15.431
17.937
15.749
17.010
14.579
13.357
15.174
14.516
15.471
15.690
16.616
14.942
16.807
15.135
16.065
13.911
12.850
14.562
18.951
19.195
17.701
16.611
14.106
14.081
15.277
12.010
12.794
12.840
16.494
16.328
16.596
16.449
16.330
14.955
14.665
14.813
17.565
17.327
18.813
19.949
21.270
21.387
19.888
20.138
19.534
19.511
19.200
17.755
19.480
18.483
18.724
17.306
16.268
15.019
14.055
14.445
16.771
16.505
17.521
18.023
18.883
18.109
18.901
18.686
19.910
20.834
22.067
23.086
22.530
24.456
20.162
20.486
19.222
18.594
17.671
18.548
19.089
18.835
19.898
19.645
20.179
17.796
17.858
16.981
16.115
15.061
14.035
14.228
12.883
13.272
11.929
12.118
16.809
16.411
17.864
S92
1.00 74.85
1.00 74.85
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00103.51
1.00 94.34
1.00 94.34
1.00 94.34
1.00 94.34
1.00 94.34
1.00 94.34
1.00 94.34
1.00 94.34
1.00 72.62
1.00 72.62
1.00 72.62
1.00 72.62
1.00 72.62
1.00 72.62
1.00 80.79
1.00 80.79
1.00 80.79
1.00 80.79
1.00 80.79
1.00 80.79
1.00 80.79
1.00 32.78
1.00 32.78
1.00 32.78
1.00 32.78
1.00 32.78
1.00 32.78
1.00 32.78
1.00 37.43
1.00 37.43
1.00 37.43
1.00 37.43
1.00 37.43
1.00 37.43
1.00 87.86
1.00 87.86
1.00 87.86
1.00 87.86
1.00 87.86
1.00 87.86
1.00 87.86
1.00 87.86
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 57.72
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 75.18
1.00 37.45
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
CA
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
GLY
GLY
GLY
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
253
253
253
254
254
254
254
254
254
254
255
255
255
255
255
255
256
256
256
256
256
256
256
256
256
256
256
257
257
257
257
257
257
258
258
258
258
258
258
258
259
259
259
259
259
259
259
259
260
260
260
260
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
263
263
263
263
263
263
-24.755
-24.693
-23.701
-25.739
-25.664
-26.924
-28.014
-27.172
-25.450
-24.634
-26.168
-26.080
-26.991
-26.865
-24.679
-24.134
-24.052
-22.742
-22.281
-23.049
-22.666
-24.152
-23.366
-24.855
-24.466
-21.711
-20.775
-21.825
-20.838
-21.076
-19.785
-20.895
-19.861
-22.121
-22.344
-23.803
-23.922
-24.478
-21.721
-21.149
-21.809
-21.285
-21.348
-22.799
-23.478
-23.250
-19.843
-19.352
-19.126
-17.731
-17.042
-17.038
-16.081
-17.995
-16.076
-17.994
-17.031
-17.578
-16.738
-18.428
-18.264
-19.398
-19.181
-18.250
-17.309
-19.268
-19.354
-20.605
-21.781
-18.122
-17.227
-18.006
-16.895
-18.554
-17.053
-17.697
-15.592
14.191
12.753
12.078
12.229
10.879
10.446
10.531
11.361
9.962
9.045
10.194
9.324
9.761
8.849
9.323
8.267
10.509
10.615
12.062
12.550
12.197
13.360
12.641
13.806
13.448
9.914
9.333
9.972
9.316
9.476
8.657
7.850
7.200
7.304
5.905
5.548
4.064
5.893
5.512
4.428
6.391
6.069
7.260
7.546
6.626
8.704
5.757
4.751
6.600
6.363
7.464
8.719
8.918
9.686
10.074
10.845
11.040
5.086
4.251
4.883
3.763
3.649
2.520
2.476
1.696
2.224
0.920
0.734
0.899
0.549
-0.081
0.907
0.457
2.141
1.145
2.485
0.838
18.403
18.810
18.537
19.463
19.932
20.615
19.710
21.823
18.769
18.843
17.657
16.523
15.366
14.284
15.995
15.683
15.896
15.313
15.067
13.885
12.613
14.039
11.514
12.942
11.674
16.135
15.586
17.473
18.280
19.794
20.780
17.968
17.813
17.830
17.586
17.495
17.105
18.834
16.285
16.171
15.269
13.977
13.003
12.645
12.129
12.889
14.160
13.657
14.918
15.124
15.949
15.144
14.174
15.347
13.429
14.605
13.644
15.882
15.559
16.901
17.777
18.809
19.644
17.011
17.147
16.166
15.570
14.684
15.459
14.784
15.338
13.530
12.740
13.005
11.391
11.780
13.354
S93
1.00 37.45
1.00 37.45
1.00 37.45
1.00 39.89
1.00 39.89
1.00 39.89
1.00 39.89
1.00 39.89
1.00 39.89
1.00 39.89
1.00 83.40
1.00 83.40
1.00 83.40
1.00 83.40
1.00 83.40
1.00 83.40
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 67.66
1.00 69.62
1.00 69.62
1.00 69.62
1.00 69.62
1.00 69.62
1.00 69.62
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 45.25
1.00 52.62
1.00 52.62
1.00 52.62
1.00 52.62
1.00 52.62
1.00 52.62
1.00 52.62
1.00 52.62
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 86.87
1.00 79.59
1.00 79.59
1.00 79.59
1.00 79.59
1.00 79.59
1.00 79.59
1.00 83.92
1.00 83.92
1.00 83.92
1.00 83.92
1.00 83.92
1.00 83.92
1.00144.84
1.00144.84
1.00144.84
1.00144.84
1.00144.84
1.00144.84
C
C
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
PRO
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
263
264
264
264
264
264
264
265
265
265
265
265
265
265
266
266
266
266
266
266
266
266
266
266
267
267
267
267
267
267
268
268
268
268
268
269
269
269
269
269
269
269
269
269
270
270
270
270
270
270
270
270
270
271
271
271
271
271
271
271
271
272
272
272
272
272
272
272
273
273
273
273
273
273
273
274
274
-14.663
-15.482
-14.193
-14.096
-12.787
-13.799
-13.100
-14.261
-13.840
-14.189
-13.623
-15.716
-14.379
-13.612
-15.706
-16.198
-17.315
-16.286
-16.316
-15.655
-15.281
-16.886
-17.574
-18.325
-17.941
-19.208
-19.344
-18.349
-20.315
-21.380
-20.093
-21.142
-20.768
-21.443
-20.554
-22.739
-23.119
-23.260
-24.414
-24.076
-24.123
-23.743
-24.458
-24.897
-25.137
-26.458
-27.143
-26.682
-27.036
-26.662
-27.059
-27.228
-26.889
-28.264
-28.984
-30.067
-30.596
-29.922
-31.682
-29.664
-29.429
-30.487
-31.242
-32.731
-33.186
-33.064
-30.953
-30.175
-31.564
-31.322
-31.408
-30.266
-32.796
-32.339
-33.078
-32.373
-33.237
0.033
2.059
2.411
3.848
4.091
1.506
0.515
1.838
1.122
1.820
1.120
1.919
-0.272
-1.220
-0.456
-1.793
-4.561
-3.697
-2.215
-5.805
-4.475
-5.807
-1.826
-0.859
-2.950
-3.042
-4.344
-4.381
-2.982
-2.431
-3.530
-3.515
-4.208
-2.092
-1.248
-1.785
-0.445
0.476
0.131
-1.118
-2.238
-0.927
-0.526
-1.593
0.629
0.610
1.995
2.898
2.344
3.254
2.621
-0.308
-0.488
-0.954
-1.975
-2.614
-3.838
-4.299
-4.329
-1.466
-1.989
-0.404
-0.043
-0.165
0.714
-1.621
1.374
2.050
1.845
3.178
3.274
2.446
2.773
4.106
4.800
4.166
5.081
13.309
13.907
14.413
14.949
15.438
15.534
15.333
16.758
17.928
19.217
20.316
19.371
17.992
18.155
17.848
17.995
19.369
19.669
19.467
20.174
20.161
19.689
17.412
17.522
16.771
16.104
15.298
14.281
17.107
16.832
18.314
19.287
20.607
19.605
19.687
19.777
20.086
18.854
17.903
17.097
17.604
15.793
20.726
21.153
20.831
21.370
21.411
22.567
23.955
25.130
26.411
20.479
19.310
21.040
20.337
21.219
20.497
19.534
20.899
19.097
18.009
19.194
18.023
18.198
19.216
18.568
17.654
18.322
16.543
16.075
14.583
13.966
14.151
16.671
15.970
18.012
18.701
S94
1.00144.84
1.00114.56
1.00114.56
1.00114.56
1.00114.56
1.00114.56
1.00114.56
1.00121.02
1.00121.02
1.00121.02
1.00121.02
1.00121.02
1.00121.02
1.00121.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00 85.02
1.00105.36
1.00105.36
1.00105.36
1.00105.36
1.00105.36
1.00105.36
1.00244.22
1.00244.22
1.00244.22
1.00244.22
1.00244.22
1.00326.41
1.00326.41
1.00326.41
1.00326.41
1.00326.41
1.00326.41
1.00326.41
1.00326.41
1.00326.41
1.00148.54
1.00148.54
1.00148.54
1.00148.54
1.00148.54
1.00148.54
1.00148.54
1.00148.54
1.00148.54
1.00117.45
1.00117.45
1.00117.45
1.00117.45
1.00117.45
1.00117.45
1.00117.45
1.00117.45
1.00263.98
1.00263.98
1.00263.98
1.00263.98
1.00263.98
1.00263.98
1.00263.98
1.00205.23
1.00205.23
1.00205.23
1.00205.23
1.00205.23
1.00205.23
1.00205.23
1.00 47.44
1.00 47.44
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2120
2121
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
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
CB
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
274
274
274
275
275
275
275
275
275
276
276
276
276
276
276
276
277
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
280
280
280
280
280
280
280
281
281
281
281
281
281
281
282
282
282
282
282
282
282
283
283
283
283
283
283
283
284
284
284
284
284
284
-33.190
-32.726
-33.480
-31.387
-30.660
-29.142
-28.461
-31.031
-31.094
-31.264
-31.567
-31.673
-32.016
-30.359
-32.872
-33.014
-33.859
-35.183
-36.118
-36.370
-37.257
-35.781
-35.117
-35.877
-34.207
-34.111
-33.019
-33.275
-34.454
-32.342
-34.724
-32.610
-33.805
-34.087
-33.748
-34.233
-32.863
-32.446
-31.494
-30.260
-31.319
-33.610
-33.803
-34.424
-35.503
-36.222
-35.190
-37.074
-36.524
-37.156
-36.726
-37.689
-37.736
-38.711
-38.090
-37.318
-38.195
-36.013
-35.643
-34.172
-34.001
-33.303
-36.211
-36.414
-36.481
-37.109
-35.547
-37.113
-35.795
-38.439
-38.916
-39.112
-40.347
-41.113
-40.379
-41.256
-41.929
4.897
6.450
7.406
6.541
7.758
7.519
8.740
8.376
9.599
7.550
8.061
6.968
7.603
6.169
8.793
9.867
8.217
8.758
7.834
6.499
5.258
4.638
10.073
10.990
10.200
11.415
11.310
12.325
12.267
13.281
13.170
14.190
14.138
15.061
12.474
13.603
12.118
13.006
12.348
12.054
13.253
13.419
14.606
12.443
12.677
11.419
10.424
10.881
13.573
14.387
13.414
14.173
13.781
14.725
12.286
15.623
16.481
15.951
17.337
17.614
18.983
17.257
18.143
19.350
17.599
18.403
16.664
17.526
16.745
18.995
19.902
18.460
19.018
18.064
17.763
16.645
17.967
20.227
18.398
18.217
18.332
18.136
18.089
17.849
16.829
16.718
15.797
14.492
13.472
12.116
13.471
14.529
13.944
15.240
15.343
16.142
15.436
16.425
17.280
16.050
15.754
17.025
17.774
18.852
19.910
20.615
20.250
21.615
21.252
21.933
22.962
16.783
16.846
15.833
14.789
13.842
14.477
12.618
13.934
13.679
13.486
12.559
12.144
11.590
13.301
13.185
12.516
14.498
15.234
16.684
17.406
16.791
15.192
15.129
15.187
15.300
15.529
15.865
14.316
14.169
14.346
13.017
12.004
12.408
10.759
10.893
12.407
11.727
13.439
13.931
14.871
16.182
17.320
18.367
S95
1.00 47.44
1.00 47.44
1.00 47.44
1.00 75.84
1.00 75.84
1.00 75.84
1.00 75.84
1.00 75.84
1.00 75.84
1.00 32.68
1.00 32.68
1.00 32.68
1.00 32.68
1.00 32.68
1.00 32.68
1.00 32.68
1.00119.09
1.00119.09
1.00119.09
1.00119.09
1.00119.09
1.00119.09
1.00119.09
1.00119.09
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00130.33
1.00 51.20
1.00 51.20
1.00 51.20
1.00 51.20
1.00 51.20
1.00 51.20
1.00 51.20
1.00119.43
1.00119.43
1.00119.43
1.00119.43
1.00119.43
1.00119.43
1.00119.43
1.00 51.13
1.00 51.13
1.00 51.13
1.00 51.13
1.00 51.13
1.00 51.13
1.00 51.13
1.00141.05
1.00141.05
1.00141.05
1.00141.05
1.00141.05
1.00141.05
1.00141.05
1.00158.92
1.00158.92
1.00158.92
1.00158.92
1.00158.92
1.00158.92
1.00158.92
1.00127.87
1.00127.87
1.00127.87
1.00127.87
1.00127.87
1.00127.87
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2197
2198
2199
2200
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
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
284
284
285
285
285
285
285
285
285
285
286
286
286
286
286
286
286
286
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
290
290
290
290
290
290
290
290
290
290
290
290
291
291
291
291
291
291
292
292
292
292
292
292
292
292
293
293
293
293
293
293
293
-40.151
-41.027
-39.012
-38.725
-37.419
-37.429
-36.139
-38.702
-38.615
-39.117
-37.981
-37.685
-37.119
-35.738
-35.202
-35.146
-38.918
-38.862
-40.026
-41.183
-40.050
-42.231
-41.385
-41.614
-42.094
-41.471
-41.864
-41.812
-42.779
-44.129
-42.335
-45.024
-43.224
-44.570
-40.925
-41.334
-39.629
-38.583
-37.226
-36.201
-36.903
-35.631
-38.842
-38.586
-39.365
-39.635
-40.235
-39.174
-37.948
-39.425
-36.971
-38.452
-37.220
-36.214
-40.624
-40.635
-41.505
-42.515
-43.288
-44.023
-41.833
-42.426
-40.552
-39.849
-38.397
-38.323
-36.877
-39.287
-39.829
-40.064
-39.558
-39.614
-38.775
-39.161
-38.086
-37.156
-36.508
20.299
21.160
20.424
21.434
21.124
19.727
19.473
19.498
22.867
23.757
23.156
24.522
24.679
24.058
23.516
24.155
25.378
26.510
24.918
25.766
23.903
24.981
24.111
26.205
27.330
25.341
25.718
24.576
23.527
23.686
22.388
22.719
21.418
21.578
26.768
27.723
26.603
27.470
27.034
28.093
25.620
25.020
28.856
29.839
28.966
30.233
30.115
29.512
30.126
28.353
29.561
27.786
28.386
27.803
30.978
32.209
30.246
30.869
29.870
28.946
31.810
32.799
31.549
32.385
31.938
30.563
30.183
30.497
33.779
34.722
33.983
35.352
35.676
34.892
34.910
33.784
33.184
14.710
14.721
15.419
16.414
17.151
17.794
18.583
18.623
15.957
16.643
14.805
14.444
13.020
12.910
13.876
11.688
14.440
14.910
13.928
13.887
12.887
13.098
12.146
15.253
15.387
16.275
17.604
18.631
18.214
18.432
17.581
18.043
17.193
17.426
18.099
18.759
17.782
18.241
17.763
18.201
18.283
17.680
17.733
18.425
16.503
15.887
14.480
13.636
13.507
12.946
12.725
12.163
12.057
11.256
16.723
16.734
17.425
18.227
19.112
18.320
19.167
19.600
19.484
20.410
20.645
21.332
21.694
22.527
19.881
20.635
18.578
18.167
16.918
15.667
14.586
14.871
13.831
S96
1.00127.87
1.00127.87
1.00 69.67
1.00 69.67
1.00 69.67
1.00 69.67
1.00 69.67
1.00 69.67
1.00 69.67
1.00 69.67
1.00 75.55
1.00 75.55
1.00 75.55
1.00 75.55
1.00 75.55
1.00 75.55
1.00 75.55
1.00 75.55
1.00 78.60
1.00 78.60
1.00 78.60
1.00 78.60
1.00 78.60
1.00 78.60
1.00 78.60
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 92.79
1.00 49.33
1.00 49.33
1.00 49.33
1.00 49.33
1.00 49.33
1.00 49.33
1.00 49.33
1.00 49.33
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 73.89
1.00 40.54
1.00 40.54
1.00 40.54
1.00 40.54
1.00 40.54
1.00 40.54
1.00 49.80
1.00 49.80
1.00 49.80
1.00 49.80
1.00 49.80
1.00 49.80
1.00 49.80
1.00 49.80
1.00194.51
1.00194.51
1.00194.51
1.00194.51
1.00194.51
1.00194.51
1.00194.51
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
NH1
NH2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
293
293
293
293
294
294
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
300
300
300
300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
302
-36.740
-35.640
-41.055
-41.582
-41.734
-43.145
-43.712
-43.561
-42.453
-44.705
-43.478
-44.427
-42.708
-43.179
-42.390
-40.922
-40.313
-40.678
-39.362
-43.171
-44.210
-42.026
-42.118
-40.753
-40.106
-38.767
-37.758
-38.743
-42.837
-43.873
-42.312
-42.870
-41.986
-42.785
-40.723
-39.664
-44.208
-45.149
-44.354
-45.633
-45.724
-45.420
-46.492
-46.412
-47.669
-46.659
-47.764
-46.332
-47.330
-46.874
-46.734
-47.690
-48.866
-46.686
-46.945
-45.657
-45.972
-47.793
-48.805
-47.399
-48.084
-47.349
-46.097
-45.182
-45.347
-49.463
-50.417
-49.609
-50.878
-50.781
-52.057
-51.905
-53.214
-53.259
-52.109
-54.453
-51.796
33.607
32.158
35.607
35.426
36.025
36.219
36.577
35.354
34.873
34.832
37.339
37.252
38.436
39.525
40.824
40.750
42.117
43.110
42.173
39.204
39.287
38.799
38.588
38.565
39.949
39.809
39.547
39.958
37.321
37.356
36.162
34.899
33.720
32.423
33.795
32.759
34.678
34.309
34.923
34.648
34.874
33.640
32.556
31.472
30.692
35.504
35.040
36.774
37.600
39.053
39.705
37.024
36.977
36.559
36.043
35.671
35.170
34.811
34.685
33.871
32.623
31.725
31.035
32.022
30.265
32.885
32.242
33.854
34.161
35.293
35.496
36.531
36.630
36.683
36.572
36.853
34.601
12.556
14.065
17.921
16.825
18.999
18.973
20.356
21.250
21.479
21.768
18.055
17.281
18.102
17.314
17.540
17.128
17.402
16.774
18.372
15.850
15.201
15.274
13.859
13.160
13.095
12.384
13.084
11.132
13.492
12.832
13.943
13.547
13.859
13.648
12.985
13.341
14.163
13.464
15.480
16.068
17.587
18.429
18.281
19.354
19.368
15.418
15.151
15.134
14.530
14.318
15.571
13.195
12.839
12.426
11.110
10.352
9.062
11.208
10.519
12.091
12.281
13.290
12.709
11.963
13.812
12.791
12.358
13.713
14.308
15.349
16.168
17.286
17.993
19.357
20.087
19.993
13.218
S97
1.00194.51
1.00194.51
1.00194.51
1.00194.51
1.00 40.31
1.00 40.31
1.00 40.31
1.00 40.31
1.00 40.31
1.00 40.31
1.00 40.31
1.00 40.31
1.00119.24
1.00119.24
1.00119.24
1.00119.24
1.00119.24
1.00119.24
1.00119.24
1.00119.24
1.00119.24
1.00 70.63
1.00 70.63
1.00 70.63
1.00 70.63
1.00 70.63
1.00 70.63
1.00 70.63
1.00 70.63
1.00 70.63
1.00 58.90
1.00 58.90
1.00 58.90
1.00 58.90
1.00 58.90
1.00 58.90
1.00 58.90
1.00 58.90
1.00121.87
1.00121.87
1.00121.87
1.00121.87
1.00121.87
1.00121.87
1.00121.87
1.00121.87
1.00121.87
1.00 31.49
1.00 31.49
1.00 31.49
1.00 31.49
1.00 31.49
1.00 31.49
1.00 74.61
1.00 74.61
1.00 74.61
1.00 74.61
1.00 74.61
1.00 74.61
1.00 91.19
1.00 91.19
1.00 91.19
1.00 91.19
1.00 91.19
1.00 91.19
1.00 91.19
1.00 91.19
1.00144.20
1.00144.20
1.00144.20
1.00144.20
1.00144.20
1.00144.20
1.00144.20
1.00144.20
1.00144.20
1.00144.20
N
N
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
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
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
302
303
303
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
308
308
308
309
309
309
309
309
309
309
309
309
310
310
310
310
310
310
310
310
311
311
-52.988
-51.269
-52.086
-51.303
-50.661
-49.639
-48.961
-47.962
-52.565
-53.754
-51.631
-51.941
-50.718
-49.652
-48.466
-50.265
-52.929
-53.877
-52.711
-53.587
-53.042
-54.186
-51.834
-52.204
-54.918
-55.956
-54.924
-56.140
-57.031
-56.630
-56.765
-56.100
-55.899
-56.304
-57.231
-56.301
-57.232
-56.776
-56.967
-58.167
-56.368
-57.216
-56.499
-55.894
-55.457
-58.018
-57.529
-59.291
-60.205
-61.407
-61.071
-62.302
-61.895
-62.366
-63.181
-62.019
-60.815
-60.405
-61.807
-62.517
-62.681
-63.440
-63.241
-61.991
-60.773
-63.873
-64.305
-64.573
-65.856
-66.364
-66.550
-67.638
-68.102
-66.884
-66.873
-67.797
-68.842
34.301
35.351
35.796
36.625
37.902
38.520
39.778
40.278
34.589
34.451
33.664
32.508
31.618
32.284
31.337
32.834
31.668
31.162
31.481
30.691
30.433
29.871
29.487
28.109
31.360
30.713
32.683
33.415
33.588
34.727
34.715
35.938
36.688
35.945
33.758
36.238
34.057
35.272
32.794
32.593
32.470
31.976
31.350
30.009
32.352
33.133
34.262
32.867
33.880
34.095
34.557
34.539
34.991
34.324
33.237
34.731
33.393
32.372
34.151
33.779
34.935
34.546
35.515
35.218
35.513
33.297
33.545
32.574
31.973
31.125
32.043
30.362
29.345
33.029
34.088
32.759
33.684
13.243
12.234
11.142
10.107
10.651
9.692
10.238
9.266
10.395
10.110
10.085
9.292
9.006
8.115
7.867
6.816
10.028
9.434
11.342
12.157
13.530
14.385
13.450
12.899
12.308
12.182
12.562
12.786
11.544
10.639
9.210
10.969
9.834
8.746
8.357
7.412
7.012
6.551
13.860
13.678
15.021
16.066
17.229
16.782
17.748
16.572
16.623
16.939
17.391
16.453
15.036
14.126
12.767
11.675
11.840
10.421
18.666
19.215
19.182
20.370
21.379
22.651
23.819
24.652
23.864
19.947
18.822
20.848
20.581
21.715
22.931
21.313
22.359
20.332
20.958
19.371
19.034
S98
1.00144.20
1.00 65.80
1.00 65.80
1.00 65.80
1.00 65.80
1.00 65.80
1.00 65.80
1.00 65.80
1.00 65.80
1.00 65.80
1.00 43.68
1.00 43.68
1.00 43.68
1.00 43.68
1.00 43.68
1.00 43.68
1.00 43.68
1.00 43.68
1.00 89.30
1.00 89.30
1.00 89.30
1.00 89.30
1.00 89.30
1.00 89.30
1.00 89.30
1.00 89.30
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00 86.96
1.00131.49
1.00131.49
1.00131.49
1.00131.49
1.00131.49
1.00131.49
1.00131.49
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00233.27
1.00249.86
1.00249.86
1.00249.86
1.00249.86
1.00249.86
1.00249.86
1.00249.86
1.00249.86
1.00249.86
1.00145.08
1.00145.08
1.00145.08
1.00145.08
1.00145.08
1.00145.08
1.00145.08
1.00145.08
1.00256.42
1.00256.42
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
END
2428
2429
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
OXT
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
311
311
311
311
311
311
311
311
312
312
312
312
312
312
313
313
313
313
313
313
313
313
313
-69.075
-69.696
-68.985
-71.168
-70.971
-69.999
-70.119
-70.309
-71.021
-72.248
-72.978
-74.200
-73.190
-73.318
-73.842
-74.826
-73.076
-74.847
-73.456
-76.142
-77.160
-76.169
36.368
35.138
33.879
36.693
35.354
37.259
33.082
31.868
33.921
33.426
34.451
33.906
33.053
33.743
31.943
31.530
30.804
30.005
29.624
32.124
31.785
32.932
17.068
17.109
17.512
16.392
16.693
16.635
19.545
19.478
20.096
20.657
21.546
22.025
19.562
18.549
19.765
18.801
20.251
18.816
19.347
19.183
18.522
20.150
S99
1.00256.42
1.00256.42
1.00256.42
1.00256.42
1.00256.42
1.00256.42
1.00256.42
1.00256.42
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00153.99
1.00136.72
1.00136.72
1.00136.72
1.00136.72
1.00136.72
1.00136.72
1.00136.72
1.00136.72
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
O
PDB and structure of OR1G1 built by homology modeling using PDB ids 1U19, 2LNL and 2RH1
as templates.
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1
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
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
2
2
3
3
3
3
4
4
4
4
4
4
4
4
4
5
5
5
5
5
5
5
5
6
6
6
6
6
-30.124
-30.545
-29.562
-29.395
-28.381
-26.871
-30.400
-29.573
-31.248
-31.052
-32.282
-32.512
-32.362
-31.214
-33.407
-30.467
-30.361
-30.032
-29.430
-30.453
-30.950
-30.808
-31.667
-33.163
-33.999
-33.771
-32.354
-32.189
-31.452
-31.848
-30.784
-30.450
-29.410
-30.033
-30.770
-29.754
-31.638
-31.815
-32.505
-33.510
-34.329
-35.386
-36.602
-4.703
-5.403
-6.538
-7.614
-9.025
-8.046
-4.464
-3.561
-4.616
-3.869
-3.235
-1.776
-1.646
-1.725
-1.459
-4.826
-6.020
-4.325
-5.266
-5.759
-5.016
-7.047
-7.723
-7.441
-7.925
-7.098
-7.205
-6.258
-9.166
-9.634
-9.899
-11.276
-11.802
-11.776
-10.854
-12.828
-12.192
-13.043
-12.023
-13.011
-12.680
-13.730
-13.755
1.154
2.390
2.723
1.654
2.193
2.434
3.534
3.486
4.564
5.767
6.435
6.052
4.556
4.049
3.892
6.732
6.460
7.892
8.769
9.729
10.573
9.584
10.504
10.313
11.498
12.768
13.333
14.457
10.198
9.134
11.107
10.876
11.886
13.276
13.618
14.090
10.935
10.064
11.952
12.212
13.478
13.890
12.949
S100
1.00 96.76
1.00 96.76
1.00 96.76
1.00 96.76
1.00 96.76
1.00 96.76
1.00 96.76
1.00 96.76
1.00158.04
1.00158.04
1.00158.04
1.00158.04
1.00158.04
1.00158.04
1.00158.04
1.00158.04
1.00158.04
1.00127.91
1.00127.91
1.00127.91
1.00127.91
1.00246.79
1.00246.79
1.00246.79
1.00246.79
1.00246.79
1.00246.79
1.00246.79
1.00246.79
1.00246.79
1.00 98.78
1.00 98.78
1.00 98.78
1.00 98.78
1.00 98.78
1.00 98.78
1.00 98.78
1.00 98.78
1.00165.07
1.00165.07
1.00165.07
1.00165.07
1.00165.07
N
C
C
C
S
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
C
O
N
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
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
GLY
GLY
GLY
GLY
PHE
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
9
9
9
9
9
9
9
9
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
13
13
13
13
13
13
13
14
14
14
14
14
14
14
14
15
15
15
15
15
15
15
15
16
16
16
16
17
-34.744
-34.439
-34.660
-34.994
-35.934
-37.316
-38.219
-37.276
-35.467
-34.930
-35.651
-35.246
-35.185
-34.154
-36.187
-35.785
-37.450
-38.280
-39.207
-38.343
-40.218
-39.589
-39.151
-39.474
-39.490
-40.446
-39.902
-39.824
-40.901
-41.132
-41.035
-41.577
-41.574
-42.322
-42.183
-41.541
-42.715
-42.994
-43.539
-43.602
-44.937
-45.918
-46.161
-44.796
-43.674
-45.925
-45.889
-44.876
-45.243
-44.861
-45.955
-45.191
-46.288
-45.906
-45.531
-44.841
-45.997
-45.754
-46.613
-48.132
-48.565
-48.590
-44.322
-43.711
-43.742
-42.379
-41.894
-40.425
-39.463
-40.075
-42.316
-41.418
-43.272
-43.389
-42.054
-41.660
-41.332
-15.116
-13.149
-14.259
-12.035
-12.211
-11.727
-12.124
-10.196
-11.436
-10.337
-12.035
-11.441
-12.453
-13.403
-10.354
-9.497
-10.308
-9.387
-10.077
-10.846
-10.968
-12.143
-8.460
-8.682
-7.341
-6.318
-5.215
-5.725
-5.702
-4.495
-6.538
-6.087
-7.196
-8.486
-9.410
-8.983
-10.551
-5.775
-4.743
-6.713
-6.661
-7.555
-6.988
-7.235
-7.464
-7.462
-8.021
-9.169
-10.301
-10.291
-11.376
-11.332
-12.420
-12.400
-6.919
-5.968
-7.032
-6.012
-6.183
-6.138
-4.773
-7.318
-6.108
-7.173
-4.970
-4.965
-3.577
-3.558
-3.913
-2.226
-5.864
-6.693
-5.726
-6.584
-6.683
-5.807
-7.776
14.062
11.057
10.575
10.553
9.487
9.802
8.779
9.905
8.310
8.431
7.124
5.891
4.734
4.965
5.462
4.678
5.945
5.216
4.257
3.244
5.003
5.751
6.013
7.181
5.322
5.641
6.556
7.878
4.347
4.258
3.297
2.047
0.968
1.313
0.112
-0.886
0.171
2.347
1.960
3.085
3.568
2.792
1.082
4.928
5.376
5.620
6.937
7.137
6.240
4.918
6.718
4.084
5.888
4.568
7.874
7.510
9.126
10.095
11.358
11.093
10.536
10.220
10.503
10.429
10.932
11.358
11.807
12.274
11.125
12.955
12.532
12.595
13.477
14.622
15.253
16.014
14.941
S101
1.00165.07
1.00165.07
1.00165.07
1.00263.78
1.00263.78
1.00263.78
1.00263.78
1.00263.78
1.00263.78
1.00263.78
1.00151.65
1.00151.65
1.00151.65
1.00151.65
1.00151.65
1.00151.65
1.00386.20
1.00386.20
1.00386.20
1.00386.20
1.00386.20
1.00386.20
1.00386.20
1.00386.20
1.00228.29
1.00228.29
1.00228.29
1.00228.29
1.00228.29
1.00228.29
1.00133.40
1.00133.40
1.00133.40
1.00133.40
1.00133.40
1.00133.40
1.00133.40
1.00133.40
1.00133.40
1.00 66.29
1.00 66.29
1.00 66.29
1.00 66.29
1.00 66.29
1.00 66.29
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00116.63
1.00241.40
1.00241.40
1.00241.40
1.00241.40
1.00241.40
1.00241.40
1.00241.40
1.00241.40
1.00234.14
1.00234.14
1.00234.14
1.00234.14
1.00234.14
1.00234.14
1.00234.14
1.00234.14
1.00118.55
1.00118.55
1.00118.55
1.00118.55
1.00306.51
C
C
O
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
C
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
17
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
19
19
19
19
19
19
19
19
19
20
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
22
23
23
23
23
23
23
23
23
23
24
24
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
-39.993
-39.242
-39.282
-38.354
-40.273
-38.406
-40.328
-39.397
-39.249
-39.586
-38.211
-37.323
-36.832
-37.827
-37.946
-37.292
-39.198
-39.789
-40.325
-39.237
-39.913
-41.159
-39.186
-40.974
-41.497
-41.436
-42.623
-42.810
-41.826
-42.241
-43.271
-41.424
-43.762
-43.695
-44.846
-45.942
-47.013
-47.536
-46.422
-48.272
-46.550
-46.369
-47.230
-47.884
-48.679
-49.743
-50.928
-51.072
-51.705
-46.837
-47.176
-45.544
-44.423
-43.107
-41.886
-40.695
-40.860
-39.605
-44.305
-43.926
-44.650
-44.596
-45.136
-44.246
-43.122
-42.776
-42.537
-45.507
-45.239
-46.600
-47.556
-48.804
-49.683
-50.946
-51.808
-53.040
-46.908
-7.962
-9.091
-8.788
-7.963
-9.330
-7.687
-9.057
-8.237
-6.699
-5.951
-6.470
-5.343
-4.873
-4.097
-4.162
-3.132
-4.281
-3.164
-2.071
-1.335
-0.295
-0.142
0.362
-3.659
-4.735
-2.889
-3.332
-2.766
-3.360
-4.805
-5.263
-5.546
-2.880
-1.843
-3.668
-3.243
-4.327
-5.047
-5.852
-4.093
-2.079
-1.874
-1.232
-0.078
-0.407
-1.490
-0.882
0.366
-1.649
0.928
2.063
0.546
1.421
0.654
1.532
0.597
-0.484
0.951
2.230
3.399
1.584
2.222
1.334
0.140
0.648
0.021
1.818
3.385
4.450
3.215
4.275
3.940
2.913
2.504
1.495
1.173
5.516
15.396
14.665
13.206
12.613
12.427
11.268
11.082
10.495
15.117
14.200
15.938
15.973
14.590
13.940
16.643
16.786
17.124
17.800
16.857
16.077
15.196
15.301
14.402
18.554
18.284
19.550
20.209
21.624
22.631
22.878
22.384
23.672
19.366
18.710
19.337
18.533
18.290
19.550
20.236
20.504
19.222
20.420
18.444
18.970
20.244
20.034
19.304
19.375
18.675
19.328
19.636
19.270
19.480
19.662
19.900
20.045
20.671
19.525
18.242
18.258
17.120
15.849
14.715
14.363
13.475
12.475
13.848
15.964
15.414
16.725
16.800
17.631
16.914
17.671
16.903
17.661
17.321
S102
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00306.51
1.00253.69
1.00253.69
1.00253.69
1.00253.69
1.00253.69
1.00253.69
1.00126.08
1.00126.08
1.00126.08
1.00126.08
1.00126.08
1.00126.08
1.00126.08
1.00126.08
1.00126.08
1.00315.11
1.00315.11
1.00315.11
1.00315.11
1.00315.11
1.00315.11
1.00315.11
1.00315.11
1.00315.11
1.00365.93
1.00365.93
1.00365.93
1.00365.93
1.00365.93
1.00365.93
1.00365.93
1.00365.93
1.00353.20
1.00353.20
1.00353.20
1.00353.20
1.00353.20
1.00353.20
1.00353.20
1.00353.20
1.00353.20
1.00150.94
1.00150.94
1.00150.94
1.00150.94
1.00150.94
1.00150.94
1.00150.94
1.00150.94
1.00150.94
1.00147.31
1.00147.31
1.00147.31
1.00147.31
1.00147.31
1.00147.31
1.00147.31
1.00147.31
1.00147.31
1.00167.60
1.00167.60
1.00167.60
1.00167.60
1.00167.60
1.00167.60
1.00167.60
1.00167.60
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
LYS
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
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
25
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
28
28
28
28
28
28
28
28
28
28
28
29
29
29
29
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
31
31
32
32
32
32
32
32
32
32
33
33
33
33
33
33
33
33
33
33
33
34
34
34
34
34
34
34
34
35
35
-47.244
-46.017
-45.435
-46.165
-44.689
-45.536
-44.633
-44.617
-43.963
-43.181
-42.386
-41.321
-41.961
-40.309
-44.106
-43.903
-45.172
-45.966
-46.263
-44.912
-43.763
-44.750
-42.525
-43.527
-42.402
-46.924
-47.352
-47.318
-48.138
-47.306
-47.805
-45.993
-45.092
-43.646
-42.801
-45.093
-45.203
-44.996
-44.946
-44.507
-43.032
-42.254
-42.430
-40.891
-41.066
-40.293
-46.232
-46.246
-47.365
-48.587
-49.823
-51.148
-51.416
-52.315
-48.550
-48.857
-48.140
-48.180
-47.695
-48.576
-49.768
-48.205
-50.574
-49.006
-50.195
-47.247
-47.608
-46.019
-45.003
-43.650
-43.017
-42.514
-41.874
-45.420
-45.183
-46.037
-46.334
6.593
5.488
6.744
4.652
6.516
5.429
7.341
8.564
6.521
7.139
6.133
5.374
4.427
4.681
7.847
9.007
7.160
7.887
7.196
7.486
6.846
8.458
7.113
8.746
8.065
8.873
9.800
8.705
9.730
10.971
12.061
10.816
11.927
11.516
12.656
12.547
13.765
11.723
12.286
11.312
11.294
12.230
10.380
12.248
10.391
11.325
12.967
13.947
12.465
13.137
12.443
13.150
13.142
12.561
14.544
15.489
14.738
16.067
16.168
15.389
15.910
14.128
15.182
13.396
13.923
16.940
18.042
16.446
17.254
16.528
16.242
17.725
16.826
17.638
18.754
16.706
17.063
16.837
18.270
18.623
19.443
19.933
20.613
17.520
17.401
16.693
15.669
14.826
15.633
16.655
14.711
14.765
14.411
14.347
13.430
12.114
11.510
11.917
10.565
11.377
10.006
10.397
14.012
13.325
15.286
15.856
15.796
15.512
16.045
16.033
16.353
16.322
14.670
14.536
13.610
12.293
11.201
11.394
10.757
12.226
10.928
12.399
11.751
11.959
11.219
12.470
12.143
12.742
12.397
10.884
13.206
12.672
11.948
13.942
14.494
15.952
16.863
17.310
17.267
18.153
18.110
18.554
13.733
13.326
13.505
12.906
12.811
14.176
15.102
16.545
11.538
11.080
10.813
9.475
S103
1.00167.60
1.00186.26
1.00186.26
1.00186.26
1.00186.26
1.00186.26
1.00186.26
1.00186.26
1.00164.80
1.00164.80
1.00164.80
1.00164.80
1.00164.80
1.00164.80
1.00164.80
1.00164.80
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00181.02
1.00 63.00
1.00 63.00
1.00 63.00
1.00 63.00
1.00 95.47
1.00 95.47
1.00 95.47
1.00 95.47
1.00 95.47
1.00 95.47
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00172.19
1.00102.78
1.00102.78
1.00102.78
1.00102.78
1.00102.78
1.00102.78
1.00102.78
1.00102.78
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00130.93
1.00134.78
1.00134.78
1.00134.78
1.00134.78
1.00134.78
1.00134.78
1.00134.78
1.00134.78
1.00510.11
1.00510.11
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
35
35
35
35
35
35
35
35
35
35
36
36
36
36
36
36
36
36
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
41
41
41
41
42
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
44
45
45
45
45
45
-46.221
-44.734
-43.921
-44.141
-42.559
-42.771
-41.985
-40.590
-47.453
-47.452
-48.449
-49.449
-50.593
-51.648
-51.038
-52.796
-48.814
-49.063
-47.954
-47.377
-46.600
-47.555
-45.381
-46.464
-46.481
-45.634
-44.687
-43.696
-43.082
-42.609
-45.431
-45.015
-46.550
-47.318
-48.512
-49.358
-48.064
-47.854
-47.726
-48.459
-49.107
-49.816
-48.122
-48.344
-46.985
-46.050
-45.476
-45.325
-45.123
-44.497
-44.004
-42.784
-41.885
-42.751
-45.470
-45.101
-46.747
-47.758
-49.149
-49.242
-50.655
-48.759
-47.854
-47.949
-47.816
-47.943
-47.946
-49.312
-50.283
-49.912
-46.813
-47.011
-45.587
-44.472
-43.146
-43.069
-42.943
15.875
15.798
16.635
14.976
16.642
14.971
15.807
15.838
18.039
18.888
17.976
18.995
18.850
17.795
16.403
17.785
20.336
21.276
20.463
21.742
21.751
21.381
20.829
22.215
23.392
21.320
21.750
20.692
20.169
21.379
22.190
23.118
21.511
21.863
20.973
21.567
19.540
23.251
24.079
23.550
24.818
24.957
25.937
26.895
25.835
26.924
27.189
28.343
26.124
26.295
24.978
24.529
25.320
23.222
26.916
27.745
26.515
27.054
26.455
24.944
24.414
24.601
28.522
29.325
28.927
30.326
30.664
30.514
31.615
29.117
31.071
32.136
30.539
31.238
30.706
30.983
29.229
8.527
8.710
7.985
9.644
8.139
9.806
9.049
9.189
9.359
8.471
10.252
10.142
11.160
10.778
10.564
11.801
10.363
9.610
11.392
11.707
12.993
14.141
12.855
10.615
10.259
10.049
9.061
8.687
9.856
7.843
7.837
7.142
7.524
6.366
6.169
5.031
5.879
6.520
5.620
7.683
7.838
9.196
7.739
7.003
8.448
8.488
7.132
6.734
6.390
5.110
4.492
5.283
5.564
5.654
4.168
3.338
4.270
3.414
3.685
3.409
3.702
1.993
3.691
2.768
4.975
5.269
6.773
7.473
7.023
7.285
4.653
4.070
4.768
4.219
4.697
6.206
4.338
S104
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00510.11
1.00289.14
1.00289.14
1.00289.14
1.00289.14
1.00289.14
1.00289.14
1.00289.14
1.00289.14
1.00227.29
1.00227.29
1.00227.29
1.00227.29
1.00227.29
1.00227.29
1.00227.29
1.00123.82
1.00123.82
1.00123.82
1.00123.82
1.00123.82
1.00123.82
1.00123.82
1.00367.98
1.00367.98
1.00367.98
1.00367.98
1.00367.98
1.00367.98
1.00367.98
1.00104.95
1.00104.95
1.00104.95
1.00104.95
1.00104.95
1.00 74.16
1.00 74.16
1.00 74.16
1.00 74.16
1.00184.11
1.00184.11
1.00184.11
1.00184.11
1.00184.11
1.00184.11
1.00184.11
1.00184.11
1.00294.30
1.00294.30
1.00294.30
1.00294.30
1.00294.30
1.00294.30
1.00294.30
1.00294.30
1.00176.93
1.00176.93
1.00176.93
1.00176.93
1.00176.93
1.00176.93
1.00176.93
1.00176.93
1.00267.43
1.00267.43
1.00267.43
1.00267.43
1.00267.43
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
45
45
45
46
46
46
46
46
46
46
46
47
47
47
47
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
51
51
51
51
51
51
51
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
55
55
55
55
-41.593
-44.568
-44.303
-44.971
-45.040
-45.363
-44.215
-46.739
-47.203
-46.066
-45.791
-47.277
-48.325
-49.684
-50.414
-49.569
-51.810
-47.971
-48.203
-47.388
-47.083
-46.430
-45.873
-47.463
-46.138
-46.357
-45.076
-44.056
-42.950
-41.892
-42.357
-41.445
-44.656
-44.407
-45.481
-46.067
-46.849
-47.555
-45.929
-46.686
-47.009
-46.987
-47.851
-48.878
-49.746
-48.966
-50.436
-48.287
-48.728
-47.262
-46.744
-46.227
-45.149
-44.749
-44.718
-45.702
-44.689
-45.957
-45.100
-45.643
-46.920
-44.661
-43.787
-42.737
-43.821
-42.654
-42.960
-43.461
-43.712
-44.171
-43.413
-41.633
-40.440
-42.038
-41.000
-41.465
-41.998
28.704
31.287
32.329
30.179
30.174
28.821
27.869
28.325
27.057
31.153
31.922
31.156
32.035
31.763
30.518
29.243
30.377
33.470
34.319
33.782
35.140
35.228
36.642
34.818
35.717
36.815
34.969
35.472
34.464
35.030
34.105
32.881
35.780
36.841
34.865
35.081
33.892
34.286
32.668
31.354
36.246
37.111
36.306
37.308
37.165
37.298
35.791
38.676
39.562
38.892
40.223
40.592
39.635
38.708
39.826
40.466
39.776
41.491
41.839
42.963
42.619
43.229
42.280
42.059
42.911
43.476
44.172
43.228
44.057
43.545
45.380
42.418
42.685
41.190
40.256
39.193
39.776
4.827
2.722
2.121
2.072
0.637
0.060
0.420
0.521
-0.193
0.145
-0.774
0.739
0.293
0.967
0.421
0.563
1.052
0.532
-0.326
1.701
2.043
3.392
3.593
4.454
1.040
0.532
0.700
-0.170
-0.340
-1.299
1.034
1.000
-1.506
-2.075
-2.042
-3.333
-3.813
-5.122
-3.954
-4.139
-3.277
-4.151
-2.227
-2.142
-0.923
0.257
-0.960
-2.097
-2.827
-1.251
-1.145
0.265
0.756
0.003
1.924
-2.193
-2.289
-3.028
-4.122
-4.955
-5.474
-6.109
-3.569
-4.169
-2.382
-1.770
-0.431
0.663
1.916
2.937
1.832
-1.511
-1.634
-1.142
-0.801
0.212
1.539
S105
1.00267.43
1.00267.43
1.00267.43
1.00340.80
1.00340.80
1.00340.80
1.00340.80
1.00340.80
1.00340.80
1.00340.80
1.00340.80
1.00142.21
1.00142.21
1.00142.21
1.00142.21
1.00142.21
1.00142.21
1.00142.21
1.00142.21
1.00 91.77
1.00 91.77
1.00 91.77
1.00 91.77
1.00 91.77
1.00 91.77
1.00 91.77
1.00168.56
1.00168.56
1.00168.56
1.00168.56
1.00168.56
1.00168.56
1.00168.56
1.00168.56
1.00 99.61
1.00 99.61
1.00 99.61
1.00 99.61
1.00 99.61
1.00 99.61
1.00 99.61
1.00 99.61
1.00177.02
1.00177.02
1.00177.02
1.00177.02
1.00177.02
1.00177.02
1.00177.02
1.00172.72
1.00172.72
1.00172.72
1.00172.72
1.00172.72
1.00172.72
1.00172.72
1.00172.72
1.00 71.77
1.00 71.77
1.00 71.77
1.00 71.77
1.00 71.77
1.00 71.77
1.00 71.77
1.00376.32
1.00376.32
1.00376.32
1.00376.32
1.00376.32
1.00376.32
1.00376.32
1.00376.32
1.00376.32
1.00455.19
1.00455.19
1.00455.19
1.00455.19
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
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
55
55
55
55
56
56
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
60
60
60
60
60
60
60
60
60
60
60
60
61
61
61
61
61
61
61
61
61
61
61
62
62
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
-42.314
-41.066
-40.534
-40.839
-39.737
-39.291
-42.270
-41.397
-39.940
-43.450
-42.135
-43.482
-37.817
-37.307
-37.076
-35.662
-34.969
-35.070
-35.621
-35.127
-35.866
-33.863
-33.304
-33.116
-31.875
-31.963
-33.424
-33.543
-33.389
-33.477
-33.315
-31.943
-31.769
-31.862
-34.830
-34.974
-35.871
-37.208
-38.299
-38.329
-39.117
-37.568
-39.147
-37.593
-38.383
-38.413
-37.365
-38.109
-36.712
-36.789
-36.061
-36.960
-37.035
-37.748
-37.875
-38.589
-38.651
-36.169
-36.735
-34.993
-34.271
-33.039
-32.654
-31.848
-33.101
-31.517
-32.770
-31.970
-35.142
-35.236
-35.790
-36.604
-37.231
-38.096
-37.234
-38.960
-37.740
38.660
40.861
39.515
38.336
40.154
39.408
40.032
39.515
39.862
38.640
38.667
39.475
39.572
39.772
39.454
39.593
40.145
39.239
41.488
38.228
37.247
38.125
36.830
39.173
37.076
38.448
36.060
34.839
36.757
36.144
37.161
37.837
39.125
37.981
35.527
34.415
36.251
35.759
36.780
37.798
37.603
38.940
38.532
39.875
39.672
40.629
34.541
33.632
34.514
33.373
33.574
34.337
35.711
33.655
36.387
34.325
35.696
32.185
31.093
32.384
31.336
31.902
30.955
29.874
31.160
29.021
30.304
29.222
30.737
29.517
31.597
31.110
32.225
31.651
30.871
32.732
30.338
2.552
2.103
-2.027
-2.189
-2.913
-4.059
-6.382
-5.450
-5.376
-5.111
-4.682
-6.134
-4.203
-5.306
-3.090
-3.222
-2.010
-0.924
-1.644
-3.473
-3.429
-3.758
-3.978
-4.435
-4.456
-5.154
-2.704
-2.766
-1.548
-0.248
0.894
0.923
2.194
3.601
-0.087
0.421
-0.526
-0.390
-0.760
0.329
1.441
0.254
2.454
1.262
2.366
3.403
-1.245
-0.883
-2.427
-3.301
-4.641
-5.555
-5.514
-6.454
-6.370
-7.310
-7.270
-2.638
-2.642
-2.025
-1.367
-0.630
0.457
0.209
1.746
1.235
2.769
2.512
-0.323
-0.201
0.475
1.540
2.380
3.508
4.510
4.165
0.959
S106
1.00455.19
1.00455.19
1.00455.19
1.00455.19
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00282.13
1.00184.32
1.00184.32
1.00184.32
1.00184.32
1.00184.32
1.00184.32
1.00184.32
1.00505.30
1.00505.30
1.00505.30
1.00505.30
1.00505.30
1.00505.30
1.00505.30
1.00411.23
1.00411.23
1.00411.23
1.00411.23
1.00411.23
1.00411.23
1.00411.23
1.00411.23
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00102.91
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00170.31
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00343.80
1.00328.84
1.00328.84
1.00328.84
1.00328.84
1.00328.84
1.00328.84
1.00328.84
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
C
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
63
64
64
64
64
64
65
65
65
65
65
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
69
69
69
69
69
70
70
70
70
70
70
70
70
71
71
71
71
71
72
72
72
72
72
72
73
73
73
73
73
73
73
73
73
73
73
74
74
74
74
74
74
-38.145
-38.303
-39.426
-39.971
-39.024
-39.762
-37.847
-37.549
-36.412
-35.107
-34.716
-34.420
-37.245
-37.507
-36.657
-36.339
-35.544
-35.126
-34.103
-36.334
-37.637
-37.724
-38.688
-39.972
-40.987
-41.468
-40.580
-41.318
-40.311
-40.831
-40.468
-41.155
-40.686
-40.987
-40.203
-40.873
-38.887
-38.159
-36.670
-38.756
-38.923
-39.093
-39.682
-39.900
-38.554
-37.539
-38.527
-41.045
-41.459
-41.791
-43.125
-43.815
-43.074
-43.909
-42.096
-42.005
-40.986
-39.252
-41.631
-42.036
-40.814
-40.473
-39.470
-39.123
-38.117
-39.808
-37.794
-39.488
-38.480
-41.720
-42.022
-42.486
-43.667
-44.329
-45.574
-43.299
-44.658
29.319
30.827
30.169
30.922
28.805
27.844
28.662
27.350
27.251
27.112
25.992
28.255
26.469
25.270
27.047
26.319
27.203
26.541
27.415
26.257
25.847
24.719
26.697
26.344
27.500
27.757
25.266
24.418
25.304
24.332
24.685
23.862
24.330
22.342
23.026
21.996
23.044
21.851
22.133
21.272
20.061
22.133
21.688
22.841
23.390
22.650
24.566
21.137
20.138
21.803
21.388
22.342
20.039
19.183
19.817
18.553
18.502
18.361
17.513
16.362
17.860
16.841
17.302
16.079
15.247
15.757
14.112
14.623
13.798
16.441
15.256
17.448
17.181
18.415
17.992
19.201
16.442
1.512
-0.162
-0.758
-1.982
-1.221
-1.022
-1.861
-2.355
-3.381
-2.651
-2.327
-2.395
-1.181
-1.211
-0.115
1.078
2.061
3.385
4.119
4.284
1.677
2.159
1.652
2.202
2.213
0.904
1.359
1.856
0.041
-0.874
-2.333
-3.444
-4.830
-3.265
-0.518
-0.489
-0.227
0.099
0.369
1.346
1.460
2.323
3.555
4.550
4.998
4.897
5.448
3.263
3.849
2.361
2.029
1.036
1.394
1.684
0.495
-0.173
-1.332
-0.810
0.830
0.714
1.839
2.785
3.853
4.626
4.192
5.773
4.896
6.480
6.044
3.490
3.634
3.939
4.686
5.180
5.965
6.000
3.860
S107
1.00328.84
1.00 86.28
1.00 86.28
1.00 86.28
1.00 86.28
1.00 86.28
1.00204.31
1.00204.31
1.00204.31
1.00204.31
1.00204.31
1.00204.31
1.00204.31
1.00204.31
1.00277.01
1.00277.01
1.00277.01
1.00277.01
1.00277.01
1.00277.01
1.00277.01
1.00277.01
1.00 99.33
1.00 99.33
1.00 99.33
1.00 99.33
1.00 99.33
1.00 99.33
1.00132.83
1.00132.83
1.00132.83
1.00132.83
1.00132.83
1.00132.83
1.00132.83
1.00132.83
1.00100.23
1.00100.23
1.00100.23
1.00100.23
1.00100.23
1.00140.31
1.00140.31
1.00140.31
1.00140.31
1.00140.31
1.00140.31
1.00140.31
1.00140.31
1.00101.09
1.00101.09
1.00101.09
1.00101.09
1.00101.09
1.00132.02
1.00132.02
1.00132.02
1.00132.02
1.00132.02
1.00132.02
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00133.93
1.00111.19
1.00111.19
1.00111.19
1.00111.19
1.00111.19
1.00111.19
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG2
VAL
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
ILE
74
75
75
75
75
75
75
76
76
76
76
76
76
76
77
77
77
77
77
77
77
78
78
78
78
78
78
78
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
81
82
82
82
82
82
82
82
82
83
83
83
83
83
84
84
84
84
84
84
84
84
85
85
85
85
-45.215
-44.947
-45.942
-46.428
-47.061
-45.464
-46.160
-44.298
-43.861
-42.770
-43.176
-42.527
-43.385
-43.876
-42.371
-41.793
-40.419
-39.547
-39.897
-42.593
-42.817
-43.058
-43.628
-43.978
-44.656
-42.685
-44.859
-45.065
-45.726
-46.896
-45.973
-47.859
-47.470
-46.568
-47.251
-45.549
-45.255
-44.301
-42.830
-42.554
-43.622
-43.649
-44.676
-44.939
-43.864
-43.257
-42.206
-42.752
-41.468
-40.509
-44.344
-44.250
-45.405
-46.514
-47.563
-48.591
-49.606
-49.262
-47.139
-47.445
-47.320
-47.935
-48.120
-47.064
-47.556
-45.735
-44.792
-43.341
-42.396
-42.823
-41.070
-45.059
-45.100
-45.194
-45.554
-45.208
-46.324
15.463
16.914
16.308
17.267
18.394
15.065
14.055
15.127
14.007
14.362
15.441
13.123
12.831
11.719
13.037
11.960
12.276
12.570
11.053
11.588
10.410
12.610
12.380
13.623
13.194
14.431
11.534
10.743
11.651
10.840
12.883
11.387
12.871
9.401
8.579
9.067
7.679
7.349
7.144
5.775
4.725
4.444
7.195
6.070
8.040
7.663
8.669
10.005
11.213
10.066
7.469
6.607
8.290
8.158
9.268
9.429
10.528
8.108
6.827
6.069
6.499
5.263
5.122
4.137
3.094
4.333
3.308
3.820
2.666
1.541
2.965
2.864
1.669
3.803
3.389
4.309
4.260
4.338
2.632
1.783
0.685
1.272
1.091
1.063
0.430
-0.353
-1.312
-2.142
-2.183
0.454
0.279
1.320
2.083
2.594
1.515
3.367
3.285
3.562
4.023
5.315
6.044
7.355
6.220
5.273
6.190
4.317
4.377
3.614
3.329
3.259
4.226
4.832
3.414
3.254
2.089
2.445
3.077
2.742
1.286
4.543
4.957
5.214
6.458
6.967
7.457
7.902
8.934
7.468
8.342
7.380
8.280
8.070
9.209
8.880
9.600
8.017
8.937
6.727
6.352
4.832
6.814
7.242
6.743
7.077
7.035
7.332
7.589
7.311
8.477
8.750
9.425
10.749
11.862
12.917
S108
1.00111.19
1.00154.67
1.00154.67
1.00154.67
1.00154.67
1.00154.67
1.00154.67
1.00104.12
1.00104.12
1.00104.12
1.00104.12
1.00104.12
1.00104.12
1.00104.12
1.00124.19
1.00124.19
1.00124.19
1.00124.19
1.00124.19
1.00124.19
1.00124.19
1.00196.14
1.00196.14
1.00196.14
1.00196.14
1.00196.14
1.00196.14
1.00196.14
1.00196.86
1.00196.86
1.00196.86
1.00196.86
1.00196.86
1.00196.86
1.00196.86
1.00231.11
1.00231.11
1.00231.11
1.00231.11
1.00231.11
1.00231.11
1.00231.11
1.00231.11
1.00231.11
1.00210.81
1.00210.81
1.00210.81
1.00210.81
1.00210.81
1.00210.81
1.00210.81
1.00210.81
1.00208.82
1.00208.82
1.00208.82
1.00208.82
1.00208.82
1.00208.82
1.00208.82
1.00208.82
1.00 61.79
1.00 61.79
1.00 61.79
1.00 61.79
1.00 61.79
1.00 92.12
1.00 92.12
1.00 92.12
1.00 92.12
1.00 92.12
1.00 92.12
1.00 92.12
1.00 92.12
1.00161.84
1.00161.84
1.00161.84
1.00161.84
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
SER
SER
SER
SER
SER
SER
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
85
85
85
85
86
86
86
86
86
86
86
86
86
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
88
89
89
89
89
89
89
90
90
90
90
90
90
90
90
90
91
91
91
91
91
92
92
92
92
92
92
92
92
93
93
93
93
93
93
94
94
94
94
94
94
94
94
94
94
94
94
95
-43.791
-42.710
-46.972
-47.237
-47.925
-49.306
-50.272
-50.489
-51.471
-51.973
-51.757
-49.490
-50.136
-48.918
-49.018
-49.453
-49.338
-50.857
-51.233
-47.626
-46.751
-47.369
-46.003
-45.829
-46.177
-45.980
-46.809
-44.857
-45.425
-45.855
-44.428
-43.726
-43.631
-42.842
-44.448
-45.636
-43.766
-44.523
-43.807
-44.693
-45.836
-46.806
-45.725
-45.053
-44.330
-46.379
-47.093
-48.604
-46.571
-46.426
-46.264
-45.724
-45.928
-47.444
-45.236
-45.423
-44.287
-43.644
-43.788
-42.516
-42.401
-41.260
-41.407
-41.484
-40.322
-39.131
-38.069
-38.570
-38.382
-39.216
-38.837
-39.674
-39.488
-39.957
-39.506
-38.903
-40.494
3.953
4.161
2.942
2.015
3.578
3.229
3.972
5.440
5.499
4.475
6.735
1.774
1.078
1.266
-0.141
-0.473
-1.995
0.083
0.039
-0.627
-0.142
-1.608
-1.990
-3.072
-2.556
-3.681
-4.582
-3.621
-2.473
-3.482
-1.705
-1.937
-3.413
-4.141
-1.174
-0.889
-0.808
-0.061
1.119
1.861
2.512
2.983
2.536
-0.978
-1.740
-0.901
-1.721
-1.439
-1.408
-2.291
-0.124
0.189
1.618
1.842
2.593
4.057
-0.131
0.322
-0.960
-1.616
-2.529
-3.373
-0.611
0.454
-0.948
-0.169
-0.697
-0.547
0.631
-1.587
0.775
-1.449
-0.266
-0.120
1.208
2.171
1.341
12.352
11.292
10.890
11.653
10.183
10.386
9.448
9.811
10.973
11.432
11.462
10.116
10.896
9.012
8.759
7.360
7.177
7.071
5.588
8.889
8.183
9.774
9.980
11.060
12.458
13.459
13.575
14.223
8.690
8.134
8.199
6.968
6.540
7.470
5.911
6.042
4.815
3.864
3.188
2.192
2.956
2.364
4.311
2.825
2.184
2.648
1.724
1.711
0.373
-0.470
0.131
-1.148
-1.562
-1.673
-0.603
-0.997
-0.989
-0.048
-1.920
-1.943
-3.188
-3.141
-1.956
-1.347
-2.668
-2.682
-3.670
-5.069
-5.760
-5.697
-7.048
-6.987
-7.663
-8.986
-3.105
-2.646
-4.008
S109
1.00161.84
1.00161.84
1.00161.84
1.00161.84
1.00125.81
1.00125.81
1.00125.81
1.00125.81
1.00125.81
1.00125.81
1.00125.81
1.00125.81
1.00125.81
1.00252.87
1.00252.87
1.00252.87
1.00252.87
1.00252.87
1.00252.87
1.00252.87
1.00252.87
1.00205.89
1.00205.89
1.00205.89
1.00205.89
1.00205.89
1.00205.89
1.00205.89
1.00205.89
1.00205.89
1.00127.75
1.00127.75
1.00127.75
1.00127.75
1.00127.75
1.00127.75
1.00187.90
1.00187.90
1.00187.90
1.00187.90
1.00187.90
1.00187.90
1.00187.90
1.00187.90
1.00187.90
1.00 89.37
1.00 89.37
1.00 89.37
1.00 89.37
1.00 89.37
1.00320.34
1.00320.34
1.00320.34
1.00320.34
1.00320.34
1.00320.34
1.00320.34
1.00320.34
1.00196.09
1.00196.09
1.00196.09
1.00196.09
1.00196.09
1.00196.09
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00212.56
1.00 90.75
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
OG
C
O
N
CA
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
95
95
95
95
95
96
96
96
96
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
101
101
101
101
101
101
101
101
102
102
102
102
102
102
102
102
102
102
102
102
103
103
103
103
103
103
103
103
103
103
103
104
104
104
104
104
104
-40.880
-42.043
-41.642
-41.307
-40.948
-42.080
-42.507
-41.285
-41.228
-40.280
-39.061
-38.002
-36.477
-38.420
-37.725
-38.622
-37.997
-38.382
-37.987
-38.415
-36.493
-38.502
-37.713
-39.832
-40.418
-41.953
-42.642
-44.171
-42.176
-39.943
-39.496
-40.024
-39.618
-40.074
-39.527
-39.935
-40.039
-40.157
-38.141
-37.708
-37.313
-35.892
-35.072
-33.549
-32.871
-32.815
-35.516
-34.788
-36.023
-35.593
-36.288
-35.938
-34.733
-36.823
-34.414
-36.512
-35.302
-34.974
-35.909
-35.049
-37.153
-37.518
-39.021
-39.601
-39.876
-39.835
-40.406
-40.365
-40.653
-36.727
-36.261
-36.529
-35.820
-35.683
-34.700
-35.092
-33.372
2.630
2.555
1.833
3.541
4.717
3.040
3.885
4.361
5.500
3.475
3.895
2.817
3.627
4.880
5.797
4.702
5.591
5.298
3.899
3.699
3.620
6.973
7.909
7.134
8.428
8.385
7.912
7.890
8.732
9.010
10.157
8.245
8.860
8.169
6.774
6.364
5.178
7.370
9.121
10.194
8.167
8.374
7.122
7.175
5.871
8.381
9.468
10.386
9.413
10.296
10.001
11.088
11.081
12.114
12.082
13.120
13.103
14.130
11.701
12.574
11.955
13.299
13.470
13.368
12.141
14.507
12.055
14.427
13.198
13.761
14.896
12.877
13.219
12.010
12.345
12.978
12.016
-4.516
-5.518
-6.673
-3.398
-3.391
-2.416
-1.335
-0.629
-0.166
-0.488
0.128
0.374
0.948
-0.784
-0.359
-2.093
-3.010
-4.472
-4.978
-6.440
-4.767
-2.713
-2.629
-2.527
-2.301
-2.205
-3.497
-3.337
-4.711
-1.011
-0.977
0.096
1.323
2.632
2.912
4.325
4.636
5.214
1.335
1.749
0.870
0.918
0.531
0.829
0.401
0.222
-0.048
0.319
-1.299
-2.350
-3.692
-4.654
-5.316
-4.903
-6.202
-5.788
-6.438
-7.348
-2.009
-2.101
-1.585
-1.293
-1.063
-2.430
-2.990
-3.167
-4.256
-4.433
-4.978
-0.120
-0.100
0.874
2.073
3.020
4.090
5.247
3.934
S110
1.00 90.75
1.00 90.75
1.00 90.75
1.00 90.75
1.00 90.75
1.00125.34
1.00125.34
1.00125.34
1.00125.34
1.00164.87
1.00164.87
1.00164.87
1.00164.87
1.00164.87
1.00164.87
1.00133.56
1.00133.56
1.00133.56
1.00133.56
1.00133.56
1.00133.56
1.00133.56
1.00133.56
1.00165.68
1.00165.68
1.00165.68
1.00165.68
1.00165.68
1.00165.68
1.00165.68
1.00165.68
1.00261.38
1.00261.38
1.00261.38
1.00261.38
1.00261.38
1.00261.38
1.00261.38
1.00261.38
1.00261.38
1.00198.52
1.00198.52
1.00198.52
1.00198.52
1.00198.52
1.00198.52
1.00198.52
1.00198.52
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00168.19
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00269.99
1.00193.38
1.00193.38
1.00193.38
1.00193.38
1.00193.38
1.00193.38
C
C
O
C
O
N
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CE1
CE2
CZ
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
104
104
104
104
104
105
105
105
105
105
105
105
105
106
106
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
109
109
109
109
109
109
109
109
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
113
113
113
113
113
113
113
113
-34.174
-32.450
-32.851
-34.428
-33.987
-33.683
-32.321
-31.595
-30.090
-29.168
-29.452
-32.280
-31.453
-33.195
-33.224
-34.346
-34.412
-35.575
-34.511
-33.485
-32.831
-34.441
-34.824
-35.944
-35.885
-36.309
-35.398
-36.250
-35.339
-35.763
-33.677
-33.414
-32.969
-31.885
-31.268
-30.076
-32.359
-30.814
-30.256
-30.503
-29.456
-29.280
-28.869
-28.665
-27.912
-29.810
-29.006
-31.055
-31.527
-32.998
-33.600
-32.952
-35.128
-31.465
-31.080
-31.847
-31.864
-32.378
-32.553
-33.062
-32.398
-34.122
-30.476
-30.260
-29.498
-28.135
-27.228
-27.571
-26.854
-27.869
-27.353
-27.694
-26.770
-27.075
-25.585
-26.216
-24.720
13.280
12.315
12.950
13.668
14.724
12.872
13.216
12.119
12.358
12.160
10.371
14.462
15.345
14.560
15.666
15.485
16.503
16.156
17.961
16.897
17.922
16.807
17.917
17.572
18.630
19.908
18.332
20.881
19.303
20.580
18.397
19.596
17.474
17.856
16.688
17.195
15.995
18.495
19.522
17.893
18.385
17.545
16.092
15.117
13.684
19.756
20.680
19.926
21.156
21.042
22.331
22.712
22.228
22.232
23.363
21.911
22.931
22.430
23.545
22.920
21.972
23.379
23.444
24.651
22.534
22.897
21.674
23.659
24.639
23.228
23.923
23.273
22.127
20.853
22.334
19.806
21.292
6.225
4.907
6.056
1.739
2.185
0.953
0.657
-0.135
-0.260
1.294
1.427
-0.166
0.062
-1.147
-2.056
-3.105
-4.265
-5.206
-3.787
-1.251
-1.434
-0.311
0.505
1.494
2.535
2.270
3.787
3.240
4.758
4.488
1.325
1.372
1.998
2.853
3.568
4.400
4.402
2.022
2.405
0.857
0.003
-1.278
-1.046
-2.569
-1.743
-0.473
-0.381
-0.946
-1.517
-1.956
-2.543
-3.882
-2.631
-0.484
-0.774
0.763
1.764
3.124
4.156
5.448
5.946
5.951
1.974
1.938
2.153
2.427
2.655
1.267
1.463
0.025
-1.121
-2.479
-2.730
-2.312
-3.397
-2.552
-3.641
S111
1.00193.38
1.00193.38
1.00193.38
1.00193.38
1.00193.38
1.00200.51
1.00200.51
1.00200.51
1.00200.51
1.00200.51
1.00200.51
1.00200.51
1.00200.51
1.00170.95
1.00170.95
1.00170.95
1.00170.95
1.00170.95
1.00170.95
1.00170.95
1.00170.95
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00196.82
1.00131.02
1.00131.02
1.00131.02
1.00131.02
1.00131.02
1.00131.02
1.00131.02
1.00182.29
1.00182.29
1.00182.29
1.00182.29
1.00182.29
1.00182.29
1.00182.29
1.00182.29
1.00157.77
1.00157.77
1.00157.77
1.00157.77
1.00157.77
1.00157.77
1.00157.77
1.00157.77
1.00107.74
1.00107.74
1.00107.74
1.00107.74
1.00107.74
1.00107.74
1.00107.74
1.00107.74
1.00107.74
1.00 50.43
1.00 50.43
1.00 50.43
1.00 50.43
1.00 50.43
1.00121.89
1.00121.89
1.00121.89
1.00121.89
1.00121.89
1.00121.89
1.00121.89
1.00121.89
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
CD1
CD2
CE1
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
113
113
113
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
119
120
120
120
120
120
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
123
123
123
123
123
123
123
-25.035
-27.912
-27.187
-29.223
-29.790
-31.306
-32.092
-31.679
-32.085
-29.164
-28.907
-28.898
-28.285
-28.033
-29.256
-30.389
-28.830
-26.962
-26.557
-26.237
-24.959
-24.241
-25.140
-24.352
-26.188
-26.371
-27.495
-28.858
-27.245
-26.636
-26.172
-27.403
-27.707
-28.756
-28.363
-29.665
-28.822
-26.439
-26.237
-25.527
-24.305
-23.385
-23.561
-23.023
-23.521
-22.803
-22.823
-22.134
-20.764
-22.863
-20.132
-22.237
-20.869
-20.224
-23.420
-22.719
-24.759
-25.415
-26.930
-27.469
-26.642
-28.717
-25.204
-24.975
-25.266
-25.116
-25.252
-26.938
-23.752
-23.568
-22.749
-21.419
-20.361
-19.070
-18.285
-18.648
-17.095
20.024
25.308
26.270
25.454
26.770
26.825
26.649
27.708
25.216
27.624
28.802
27.081
27.919
27.237
27.169
26.286
26.762
28.388
29.524
27.524
27.918
26.786
29.053
29.998
28.993
30.021
29.765
30.016
30.645
31.315
32.366
31.276
32.498
32.366
31.514
31.419
30.172
33.089
34.298
32.250
32.778
31.690
33.460
34.550
32.831
33.368
32.419
33.104
33.063
33.789
33.695
34.423
34.376
35.026
34.659
35.647
34.691
35.871
35.693
36.947
37.791
37.082
36.968
38.116
36.632
37.603
37.003
36.438
38.191
39.387
37.359
37.880
36.826
37.556
37.822
37.978
38.496
-3.218
-1.139
-1.383
-0.878
-0.894
-0.695
-1.995
-3.027
-2.523
0.159
-0.076
1.357
2.347
3.708
4.650
4.124
6.066
1.817
2.053
1.087
0.569
-0.186
-0.393
-0.399
-1.238
-2.221
-3.191
-2.519
-4.425
-1.527
-1.966
-0.422
0.252
1.373
2.577
3.843
4.856
0.782
0.700
1.308
1.841
2.418
0.732
0.916
-0.459
-1.583
-2.795
-3.924
-4.042
-4.870
-5.087
-5.916
-6.027
-7.100
-2.027
-2.237
-2.169
-2.648
-2.814
-3.483
-3.919
-3.561
-1.656
-2.032
-0.355
0.689
2.099
2.476
0.597
0.819
0.272
0.211
-0.154
-0.308
0.789
-1.550
0.650
S112
1.00121.89
1.00121.89
1.00121.89
1.00150.44
1.00150.44
1.00150.44
1.00150.44
1.00150.44
1.00150.44
1.00150.44
1.00150.44
1.00156.59
1.00156.59
1.00156.59
1.00156.59
1.00156.59
1.00156.59
1.00156.59
1.00156.59
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00 74.29
1.00218.34
1.00218.34
1.00218.34
1.00218.34
1.00218.34
1.00218.34
1.00218.34
1.00231.56
1.00231.56
1.00231.56
1.00231.56
1.00231.56
1.00231.56
1.00231.56
1.00231.56
1.00 92.96
1.00 92.96
1.00 92.96
1.00 92.96
1.00 92.96
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00263.66
1.00246.91
1.00246.91
1.00246.91
1.00246.91
1.00246.91
1.00246.91
1.00246.91
1.00246.91
1.00146.24
1.00146.24
1.00146.24
1.00146.24
1.00146.24
1.00146.24
1.00148.13
1.00148.13
1.00148.13
1.00148.13
1.00148.13
1.00148.13
1.00148.13
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
C
O
O
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CE2
CZ
OH
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
123
123
123
123
123
124
124
124
124
124
124
124
125
125
125
125
125
126
126
126
126
126
126
126
126
127
127
127
127
127
127
128
128
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
131
131
131
131
131
131
131
131
131
131
132
132
132
132
132
132
132
132
132
132
132
-17.459
-16.680
-15.457
-21.353
-20.823
-21.903
-21.778
-22.301
-23.835
-21.767
-22.507
-22.035
-23.688
-24.481
-25.824
-23.751
-23.710
-23.149
-22.475
-22.046
-20.987
-21.586
-22.727
-21.262
-20.972
-20.486
-19.272
-18.410
-16.773
-19.542
-18.782
-20.648
-20.991
-21.914
-22.685
-22.338
-23.741
-23.795
-22.593
-21.033
-21.354
-20.641
-20.597
-19.869
-20.029
-19.188
-21.960
-22.080
-22.999
-24.338
-25.356
-25.113
-26.160
-25.016
-24.638
-24.999
-24.494
-24.544
-24.367
-24.705
-24.036
-26.006
-25.708
-25.174
-25.909
-26.928
-25.908
-27.017
-27.826
-26.884
-26.560
-26.293
-25.689
-25.420
-25.120
-24.225
-27.935
38.653
38.910
39.600
38.920
40.007
38.629
39.578
39.114
39.042
40.085
40.836
41.932
40.711
41.865
41.503
42.747
43.964
42.149
42.912
42.065
41.056
42.951
43.689
43.590
44.739
42.871
43.386
42.271
42.875
44.405
45.354
44.227
44.983
44.730
44.946
44.489
45.798
45.598
45.260
46.459
46.926
47.188
48.627
46.609
49.027
47.805
49.165
50.148
48.553
48.919
48.706
49.604
49.350
51.085
47.930
46.791
48.356
47.441
50.562
49.346
48.053
50.955
49.604
51.490
46.885
47.559
45.587
44.775
45.393
45.487
44.358
46.682
44.424
46.754
45.624
45.698
44.501
-1.695
-0.592
-0.732
-0.860
-0.638
-2.054
-3.122
-4.452
-4.407
-5.520
-2.768
-3.063
-2.133
-1.819
-1.157
-0.860
-1.032
0.182
1.193
2.364
1.895
3.530
4.223
0.621
0.946
-0.207
-0.774
-1.377
-1.860
-1.845
-2.022
-2.584
-3.756
-6.810
-5.691
-4.313
-7.491
-6.125
-7.859
-3.479
-2.387
-4.498
-4.486
-5.583
-5.845
-6.267
-4.212
-3.482
-4.810
-4.469
-5.604
-6.828
-7.925
-6.428
-3.408
-3.698
-2.144
-1.048
0.079
0.628
0.271
1.529
1.512
0.653
-0.817
-0.956
-0.463
-0.069
1.080
2.229
2.941
2.571
4.001
3.630
4.350
5.439
-1.209
S113
1.00148.13
1.00148.13
1.00148.13
1.00148.13
1.00148.13
1.00153.78
1.00153.78
1.00153.78
1.00153.78
1.00153.78
1.00153.78
1.00153.78
1.00103.61
1.00103.61
1.00103.61
1.00103.61
1.00103.61
1.00192.34
1.00192.34
1.00192.34
1.00192.34
1.00192.34
1.00192.34
1.00192.34
1.00192.34
1.00149.40
1.00149.40
1.00149.40
1.00149.40
1.00149.40
1.00149.40
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00148.34
1.00292.17
1.00292.17
1.00292.17
1.00292.17
1.00292.17
1.00292.17
1.00292.17
1.00187.08
1.00187.08
1.00187.08
1.00187.08
1.00187.08
1.00187.08
1.00187.08
1.00187.08
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00283.79
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
1.00319.82
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
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
1121
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
132
133
133
133
133
133
133
133
133
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
138
138
138
138
138
138
138
139
139
139
139
140
140
140
140
140
140
140
140
141
141
141
141
141
141
142
142
142
142
142
142
142
142
143
143
143
143
143
-28.870
-27.670
-28.527
-28.598
-29.417
-29.171
-29.005
-27.901
-26.706
-28.689
-28.108
-29.044
-29.548
-28.383
-30.508
-27.818
-28.536
-26.719
-26.367
-25.066
-25.204
-24.654
-24.294
-27.457
-27.829
-27.989
-28.983
-29.159
-29.614
-29.326
-30.504
-30.311
-30.703
-31.034
-32.355
-32.716
-32.701
-33.275
-32.831
-34.551
-35.456
-35.092
-36.821
-36.473
-35.327
-34.762
-35.729
-35.566
-34.190
-33.961
-33.219
-31.910
-30.865
-30.647
-29.574
-30.349
-32.057
-31.559
-32.821
-33.041
-33.976
-35.567
-33.692
-33.317
-34.686
-35.360
-36.615
-37.622
-36.335
-37.551
-34.410
-34.475
-33.510
-32.587
-31.685
-31.001
-29.845
43.712
45.079
44.721
45.748
45.151
47.066
48.243
43.500
43.483
42.423
41.236
40.020
39.723
39.465
40.817
41.552
42.324
40.994
41.252
40.617
39.089
41.106
42.590
40.688
41.256
39.532
38.783
37.385
37.442
35.918
34.919
39.473
40.080
39.405
39.946
40.397
39.282
38.828
37.730
39.075
37.988
40.336
38.624
39.990
37.209
37.728
35.942
35.275
34.704
33.540
35.544
35.022
36.109
37.072
38.126
36.303
34.177
33.056
34.705
34.032
34.831
35.201
32.721
31.690
32.723
31.500
31.684
32.451
32.350
32.363
30.572
29.358
31.120
30.281
31.072
30.081
29.453
-1.074
-2.389
-3.470
-4.560
-5.718
-4.014
-4.974
-4.035
-4.325
-4.171
-4.701
-4.640
-3.213
-2.244
-2.719
-6.128
-6.761
-6.660
-8.023
-8.431
-8.311
-9.829
-9.876
-8.873
-9.899
-8.442
-9.146
-8.536
-7.076
-6.129
-7.078
-9.104
-8.109
-10.236
-10.336
-11.761
-12.641
-9.978
-9.645
-10.004
-9.793
-9.523
-9.558
-8.938
-11.054
-12.004
-11.107
-12.363
-12.321
-12.639
-11.930
-11.720
-11.423
-12.606
-12.291
-13.903
-10.503
-10.432
-9.527
-8.283
-7.361
-8.158
-8.586
-8.027
-9.493
-9.818
-10.628
-9.756
-11.977
-12.899
-10.501
-10.311
-11.335
-12.044
-13.008
-13.886
-13.483
S114
1.00319.82
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00105.63
1.00105.63
1.00105.63
1.00105.63
1.00105.63
1.00105.63
1.00105.63
1.00105.63
1.00134.92
1.00134.92
1.00134.92
1.00134.92
1.00134.92
1.00134.92
1.00134.92
1.00134.92
1.00123.17
1.00123.17
1.00123.17
1.00123.17
1.00123.17
1.00123.17
1.00123.17
1.00123.17
1.00 77.34
1.00 77.34
1.00 77.34
1.00 77.34
1.00 77.34
1.00 77.34
1.00265.88
1.00265.88
1.00265.88
1.00265.88
1.00265.88
1.00265.88
1.00265.88
1.00393.48
1.00393.48
1.00393.48
1.00393.48
1.00128.06
1.00128.06
1.00128.06
1.00128.06
1.00128.06
1.00128.06
1.00128.06
1.00128.06
1.00104.23
1.00104.23
1.00104.23
1.00104.23
1.00104.23
1.00104.23
1.00125.02
1.00125.02
1.00125.02
1.00125.02
1.00125.02
1.00125.02
1.00125.02
1.00125.02
1.00107.63
1.00107.63
1.00107.63
1.00107.63
1.00107.63
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ALA
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145
145
145
145
145
145
145
146
146
146
146
146
146
147
147
147
147
147
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
151
151
151
151
151
151
151
151
152
152
152
152
152
152
152
152
153
-31.527
-29.222
-30.909
-29.753
-31.705
-31.490
-31.176
-30.304
-29.700
-28.545
-27.315
-28.977
-31.061
-30.539
-32.327
-33.093
-34.487
-35.270
-34.414
-33.205
-33.022
-33.487
-33.678
-34.064
-32.962
-32.405
-32.421
-31.260
-29.992
-28.810
-29.819
-29.299
-30.264
-30.101
-30.712
-30.531
-30.781
-30.250
-31.987
-32.737
-34.177
-35.027
-35.952
-35.101
-36.015
-36.547
-36.282
-37.488
-37.225
-37.815
-32.059
-32.024
-31.495
-30.899
-30.387
-31.587
-29.247
-28.509
-29.750
-29.591
-28.927
-27.763
-26.952
-25.627
-24.369
-23.038
-28.184
-27.645
-29.194
-29.577
-30.584
-31.914
-32.586
-32.326
-30.129
-29.926
-30.846
29.773
28.538
28.859
28.238
29.577
28.371
30.311
29.697
30.682
31.526
30.650
32.339
28.657
27.581
28.949
27.986
28.453
27.283
29.695
26.743
25.637
26.890
25.735
26.079
26.654
24.953
23.723
25.656
24.993
25.978
24.133
23.022
24.636
23.927
24.701
23.969
22.600
21.588
22.570
21.357
21.586
22.263
21.562
23.579
23.740
22.506
20.239
22.139
19.870
20.803
20.351
19.165
20.782
19.810
20.387
20.995
21.389
21.779
19.170
17.950
19.987
19.464
20.569
20.089
19.664
19.396
18.473
17.370
18.821
17.933
18.517
18.863
18.022
20.149
16.665
15.590
16.752
-15.119
-14.300
-15.940
-15.532
-11.055
-11.155
-10.054
-9.091
-8.074
-8.644
-8.931
-9.871
-8.340
-8.048
-8.006
-7.282
-6.992
-6.375
-6.088
-8.112
-7.608
-9.421
-10.255
-11.707
-12.392
-10.305
-10.303
-10.332
-10.429
-10.471
-9.224
-9.305
-8.064
-6.832
-5.657
-4.460
-6.908
-6.451
-7.487
-7.562
-8.047
-6.997
-6.152
-6.641
-5.625
-5.317
-6.086
-4.397
-5.153
-4.326
-8.442
-8.118
-9.583
-10.453
-11.744
-12.485
-11.507
-12.788
-9.748
-9.772
-9.074
-8.431
-7.730
-7.141
-8.383
-7.176
-7.392
-7.325
-6.574
-5.513
-4.496
-5.148
-5.741
-5.000
-6.079
-5.516
-7.212
S115
1.00107.63
1.00107.63
1.00107.63
1.00107.63
1.00107.63
1.00107.63
1.00124.90
1.00124.90
1.00124.90
1.00124.90
1.00124.90
1.00124.90
1.00124.90
1.00124.90
1.00 53.16
1.00 53.16
1.00 53.16
1.00 53.16
1.00 53.16
1.00 53.16
1.00 53.16
1.00 39.25
1.00 39.25
1.00 39.25
1.00 39.25
1.00 39.25
1.00 39.25
1.00 55.37
1.00 55.37
1.00 55.37
1.00 55.37
1.00 55.37
1.00107.41
1.00107.41
1.00107.41
1.00107.41
1.00107.41
1.00107.41
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 80.85
1.00 99.90
1.00 99.90
1.00 99.90
1.00 99.90
1.00 99.90
1.00 99.90
1.00 99.90
1.00 99.90
1.00163.86
1.00163.86
1.00163.86
1.00163.86
1.00163.86
1.00163.86
1.00163.86
1.00163.86
1.00117.46
1.00117.46
1.00117.46
1.00117.46
1.00117.46
1.00117.46
1.00117.46
1.00117.46
1.00 46.71
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
155
155
155
155
156
156
156
156
156
156
157
157
157
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
160
160
160
161
161
161
161
161
161
161
161
162
162
162
162
162
162
162
162
-31.458
-32.294
-30.398
-30.520
-29.304
-28.319
-27.117
-27.397
-27.605
-28.557
-27.793
-27.669
-27.495
-26.929
-24.249
-25.485
-26.431
-24.531
-25.639
-23.724
-27.927
-27.564
-29.207
-30.262
-31.547
-32.580
-30.571
-30.885
-30.487
-30.839
-31.015
-32.437
-32.854
-32.594
-29.940
-30.420
-28.643
-27.757
-26.322
-25.494
-25.485
-25.872
-28.286
-28.204
-28.863
-29.343
-30.271
-30.731
-29.923
-32.357
-32.007
-31.284
-30.371
-30.420
-31.231
-32.225
-33.188
-32.531
-33.789
-31.547
-31.937
-30.511
-29.881
-28.817
-29.393
-28.317
-30.639
-29.217
-29.478
-28.343
-27.706
-26.726
-26.049
-27.080
-24.927
-26.894
-26.972
15.588
15.904
14.620
13.421
15.119
14.189
14.823
15.168
13.884
16.165
13.401
12.186
14.058
13.377
15.040
15.352
14.348
17.228
16.691
16.199
12.431
11.344
12.841
12.047
12.876
12.090
10.869
9.781
11.056
10.024
10.492
10.992
12.226
11.189
8.813
7.737
8.907
7.775
7.961
9.088
8.988
10.464
6.559
5.460
6.703
5.524
7.978
6.948
5.716
8.496
7.282
8.874
4.848
3.620
5.606
4.937
5.866
6.608
6.819
4.148
3.018
4.732
4.077
4.960
6.274
7.095
6.018
2.802
1.753
2.835
1.600
1.095
-0.229
-1.353
-0.602
1.819
1.052
-7.781
-9.031
-8.181
-7.936
-8.783
-9.241
-9.964
-11.437
-12.259
-11.585
-8.092
-8.205
-6.955
-5.824
-5.852
-5.330
-4.740
-6.146
-5.517
-6.329
-5.221
-4.779
-5.152
-4.580
-4.433
-3.865
-5.459
-4.980
-6.786
-7.722
-9.179
-9.515
-8.702
-11.029
-7.722
-8.067
-7.350
-7.524
-6.986
-7.636
-9.171
-7.079
-6.829
-7.378
-5.621
-4.962
-2.460
-3.251
-3.542
-3.022
-3.590
-2.351
-5.810
-5.841
-6.518
-7.309
-7.995
-9.010
-6.949
-8.387
-8.678
-9.020
-10.130
-10.804
-11.363
-12.094
-12.227
-9.712
-10.290
-8.683
-8.341
-9.413
-9.016
-8.831
-9.993
-7.116
-6.159
S116
1.00 46.71
1.00 46.71
1.00 46.71
1.00 46.71
1.00188.11
1.00188.11
1.00188.11
1.00188.11
1.00188.11
1.00188.11
1.00188.11
1.00188.11
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00143.23
1.00173.29
1.00173.29
1.00173.29
1.00173.29
1.00173.29
1.00173.29
1.00214.00
1.00214.00
1.00214.00
1.00214.00
1.00214.00
1.00214.00
1.00214.00
1.00214.00
1.00216.87
1.00216.87
1.00216.87
1.00216.87
1.00216.87
1.00216.87
1.00216.87
1.00216.87
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00221.69
1.00207.08
1.00207.08
1.00207.08
1.00207.08
1.00207.08
1.00207.08
1.00207.08
1.00136.44
1.00136.44
1.00136.44
1.00136.44
1.00136.44
1.00136.44
1.00136.44
1.00136.44
1.00263.94
1.00263.94
1.00263.94
1.00263.94
1.00263.94
1.00263.94
1.00263.94
1.00263.94
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLU
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
167
167
168
168
168
168
168
168
168
168
168
168
168
169
169
169
169
169
169
170
170
170
170
170
171
171
171
171
171
171
171
171
172
172
172
172
172
172
172
172
172
172
173
-26.085
-25.194
-24.391
-23.461
-22.504
-21.690
-26.016
-27.105
-25.503
-26.192
-26.082
-26.746
-27.765
-26.136
-27.603
-27.971
-28.441
-29.740
-29.825
-31.125
-30.692
-30.306
-31.982
-33.087
-34.425
-34.603
-34.524
-33.632
-33.011
-33.332
-32.627
-32.423
-31.000
-30.890
-33.548
-34.531
-33.518
-34.618
-35.417
-36.760
-37.060
-37.725
-38.286
-38.957
-39.246
-33.981
-32.992
-34.527
-34.078
-34.801
-34.487
-34.470
-33.772
-35.632
-36.214
-37.742
-35.656
-34.446
-36.558
-36.241
-37.486
-37.066
-37.421
-36.288
-35.419
-34.865
-35.325
-34.457
-32.189
-33.234
-34.443
-31.714
-32.923
-31.308
-34.814
-35.977
-33.751
2.891
3.197
4.489
4.426
5.938
5.285
3.394
3.957
2.908
2.944
4.263
5.443
5.945
5.948
2.486
1.920
2.634
2.110
0.596
0.094
2.803
3.581
2.514
3.073
2.577
2.936
4.459
2.153
2.690
3.535
1.427
0.883
1.143
0.781
1.248
1.734
0.940
1.188
-0.091
0.225
1.479
-0.752
1.778
-0.465
0.801
1.535
0.918
2.526
2.830
4.039
5.598
1.645
1.248
1.063
-0.068
-0.152
-1.323
-1.479
-2.274
-3.598
-4.455
-5.917
-6.768
-6.212
-3.573
-2.545
-4.743
-5.109
-7.796
-7.264
-6.644
-8.138
-7.479
-8.304
-4.498
-4.265
-4.193
-7.140
-6.067
-6.294
-7.507
-7.823
-9.311
-4.854
-4.915
-3.711
-2.460
-1.654
-2.347
-1.877
-3.452
-2.651
-3.682
-1.619
-1.867
-1.579
-1.851
-0.961
-0.087
-1.189
-0.497
-1.061
-2.548
-2.746
-3.451
0.942
1.762
1.271
2.607
3.164
4.532
3.525
3.012
4.849
5.762
6.135
6.732
7.210
6.847
7.754
7.390
7.840
7.078
7.463
7.806
9.129
9.746
8.873
9.951
10.877
9.615
10.280
10.174
9.688
9.569
9.364
8.892
8.653
8.796
7.983
9.873
7.606
7.235
6.911
5.800
5.715
4.991
5.635
3.572
3.684
4.817
4.454
4.127
3.661
S117
1.00217.33
1.00217.33
1.00217.33
1.00217.33
1.00217.33
1.00217.33
1.00217.33
1.00217.33
1.00309.13
1.00309.13
1.00309.13
1.00309.13
1.00309.13
1.00309.13
1.00309.13
1.00309.13
1.00259.29
1.00259.29
1.00259.29
1.00259.29
1.00259.29
1.00259.29
1.00232.69
1.00232.69
1.00232.69
1.00232.69
1.00232.69
1.00232.69
1.00232.69
1.00232.69
1.00298.15
1.00298.15
1.00298.15
1.00298.15
1.00298.15
1.00298.15
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00446.93
1.00275.16
1.00275.16
1.00275.16
1.00275.16
1.00275.16
1.00275.16
1.00366.50
1.00366.50
1.00366.50
1.00366.50
1.00366.50
1.00611.39
1.00611.39
1.00611.39
1.00611.39
1.00611.39
1.00611.39
1.00611.39
1.00611.39
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00251.78
1.00188.89
N
C
C
C
S
C
C
O
N
C
C
C
O
N
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
N
C
C
C
O
N
C
O
N
C
N
C
C
N
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1353
1354
1355
1356
1357
1358
1359
1360
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
1421
1422
1423
1424
1425
1426
1427
1428
1429
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
173
173
173
173
173
173
173
173
174
174
174
174
174
174
174
174
175
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
178
178
178
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
181
-33.755
-32.389
-32.368
-31.857
-32.205
-31.097
-34.169
-34.840
-33.760
-34.105
-33.633
-34.292
-32.101
-31.523
-35.587
-36.156
-36.249
-37.664
-35.823
-38.203
-36.963
-38.154
-37.442
-39.383
-40.018
-42.622
-41.478
-41.446
-40.964
-40.475
-42.258
-40.101
-39.843
-40.458
-40.472
-41.746
-41.278
-41.020
-41.098
-40.586
-40.662
-40.403
-39.476
-39.652
-38.469
-37.367
-36.107
-35.848
-36.657
-34.839
-36.448
-34.613
-35.416
-37.195
-37.290
-37.010
-36.715
-37.862
-37.163
-35.672
-35.785
-34.627
-33.563
-33.442
-32.424
-31.208
-32.853
-32.208
-31.913
-31.318
-30.028
-29.147
-28.671
-28.005
-27.300
-29.307
-29.447
-3.627
-3.055
-2.226
-3.071
-4.278
-2.508
-4.599
-4.229
-5.867
-6.825
-8.217
-9.142
-8.275
-9.615
-6.858
-6.914
-6.796
-6.801
-7.461
-7.112
-7.139
-5.534
-4.536
-5.579
-4.494
-6.564
-5.906
-4.841
-7.377
-6.415
-7.432
-3.338
-2.212
-3.517
-2.230
-1.699
-0.322
0.567
0.102
1.845
1.376
2.255
-2.033
-2.453
-1.241
-0.785
-1.594
-1.395
-1.958
-0.582
-1.770
-0.375
-0.977
0.649
0.886
1.668
2.977
3.931
5.012
3.695
3.667
4.303
5.138
5.062
6.099
5.888
7.120
4.770
3.589
5.741
5.457
6.657
7.123
6.328
7.571
4.459
4.470
2.327
1.916
0.635
-0.519
-0.594
-1.352
1.291
0.328
1.448
0.444
0.727
-0.307
0.710
1.163
0.369
-0.719
1.480
1.381
2.697
2.760
3.670
0.818
0.845
0.310
-0.344
-2.243
-1.850
-0.793
-3.483
-2.616
-3.221
0.587
0.173
1.873
2.472
3.079
3.427
2.406
4.727
2.668
4.985
3.965
3.535
4.678
3.153
3.929
3.538
2.068
1.115
1.613
-0.231
0.271
-0.663
3.462
2.263
4.342
3.780
3.535
2.277
4.610
5.836
3.946
4.512
6.039
6.481
6.229
7.081
3.938
3.838
3.584
2.969
2.785
4.171
1.811
1.274
3.807
5.026
S118
1.00188.89
1.00188.89
1.00188.89
1.00188.89
1.00188.89
1.00188.89
1.00188.89
1.00188.89
1.00 64.24
1.00 64.24
1.00 64.24
1.00 64.24
1.00 64.24
1.00 64.24
1.00 64.24
1.00 64.24
1.00114.78
1.00114.78
1.00114.78
1.00114.78
1.00114.78
1.00114.78
1.00114.78
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00113.43
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00350.76
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00283.03
1.00379.54
1.00379.54
1.00379.54
1.00379.54
1.00379.54
1.00379.54
1.00358.33
1.00358.33
1.00358.33
1.00358.33
1.00358.33
1.00358.33
1.00358.33
1.00358.33
1.00263.63
1.00263.63
1.00263.63
1.00263.63
1.00263.63
1.00263.63
1.00263.63
1.00263.63
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CD
CB
CG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
182
182
182
182
182
182
182
182
183
183
183
183
183
183
183
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
187
187
187
187
187
187
187
187
188
188
188
188
188
188
189
189
189
189
189
189
190
190
190
190
190
190
190
191
191
191
191
191
191
191
191
192
192
192
192
192
-28.513
-27.975
-27.903
-27.909
-27.244
-28.692
-26.629
-25.724
-26.581
-25.390
-27.786
-25.875
-27.337
-24.633
-23.594
-25.097
-24.578
-25.705
-26.768
-27.855
-26.129
-23.534
-22.335
-24.011
-23.336
-24.342
-25.396
-24.736
-26.341
-22.218
-21.114
-22.408
-21.196
-21.376
-20.134
-20.492
-19.346
-21.291
-21.193
-20.322
-18.815
-17.989
-18.340
-22.610
-22.981
-23.426
-24.811
-25.029
-24.041
-25.295
-25.986
-25.010
-25.382
-26.509
-26.959
-24.182
-23.646
-23.727
-22.514
-22.209
-23.236
-22.105
-22.569
-21.643
-23.680
-23.681
-25.038
-25.210
-24.229
-26.317
-23.291
-22.377
-23.876
-23.394
-25.300
-24.458
-25.757
3.568
2.449
1.196
-0.007
-0.019
-1.052
2.753
3.263
2.593
2.712
2.816
3.318
2.873
1.427
1.504
0.245
-0.983
-1.987
-1.441
-2.489
-0.865
-1.732
-1.524
-2.661
-3.711
-4.547
-5.294
-6.315
-4.321
-3.331
-3.840
-2.495
-2.230
-1.422
-1.264
-1.386
-1.605
-0.424
0.466
1.706
1.391
2.663
0.617
0.878
1.994
-0.085
0.104
1.019
2.039
-1.218
-1.947
-1.517
-2.786
-2.711
-4.343
-3.299
-2.655
-4.488
-5.072
-6.372
-7.312
-6.153
-5.408
-5.084
-6.014
-6.631
-7.279
-8.447
-8.749
-9.049
-5.687
-6.013
-4.541
-3.731
-4.348
-2.658
-3.340
3.168
3.886
3.001
3.917
4.951
3.538
4.483
3.832
5.784
6.600
6.564
7.918
8.026
6.883
7.536
6.434
6.996
7.284
8.255
8.541
9.529
6.193
6.358
5.331
4.603
3.788
4.634
5.573
5.356
3.671
3.843
2.633
1.904
0.614
-0.052
2.891
3.263
3.349
4.449
4.189
4.104
3.849
5.345
4.423
4.779
3.927
3.643
2.433
2.357
3.156
3.849
1.877
1.331
0.292
-0.379
0.619
-0.277
1.036
0.561
1.240
0.955
2.754
-0.888
-1.626
-1.341
-2.635
-2.970
-2.007
-1.277
-1.984
-3.730
-4.487
-3.893
-4.974
-3.664
-5.196
-4.732
S119
1.00216.31
1.00216.31
1.00216.31
1.00216.31
1.00216.31
1.00216.31
1.00216.31
1.00216.31
1.00258.09
1.00258.09
1.00258.09
1.00258.09
1.00258.09
1.00258.09
1.00258.09
1.00238.75
1.00238.75
1.00238.75
1.00238.75
1.00238.75
1.00238.75
1.00238.75
1.00238.75
1.00181.98
1.00181.98
1.00181.98
1.00181.98
1.00181.98
1.00181.98
1.00181.98
1.00181.98
1.00176.40
1.00176.40
1.00176.40
1.00176.40
1.00176.40
1.00176.40
1.00178.20
1.00178.20
1.00178.20
1.00178.20
1.00178.20
1.00178.20
1.00178.20
1.00178.20
1.00245.83
1.00245.83
1.00245.83
1.00245.83
1.00245.83
1.00245.83
1.00249.88
1.00249.88
1.00249.88
1.00249.88
1.00249.88
1.00249.88
1.00187.22
1.00187.22
1.00187.22
1.00187.22
1.00187.22
1.00187.22
1.00187.22
1.00 96.30
1.00 96.30
1.00 96.30
1.00 96.30
1.00 96.30
1.00 96.30
1.00 96.30
1.00 96.30
1.00270.88
1.00270.88
1.00270.88
1.00270.88
1.00270.88
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
S
C
O
N
C
C
O
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
CD1
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
192
192
193
193
193
193
193
193
193
193
193
193
193
194
194
194
194
194
194
194
195
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
200
200
200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
-22.037
-21.291
-21.733
-20.504
-19.224
-19.046
-18.411
-19.505
-18.235
-19.332
-18.696
-20.422
-19.465
-21.469
-21.476
-22.578
-22.535
-23.925
-21.676
-21.276
-22.295
-22.737
-23.386
-24.540
-24.334
-25.788
-21.609
-21.752
-20.440
-19.382
-18.108
-18.294
-17.116
-16.012
-17.313
-18.966
-18.839
-18.746
-18.241
-17.944
-17.390
-16.960
-18.374
-19.269
-18.940
-20.549
-21.604
-22.951
-24.016
-22.957
-21.658
-21.862
-21.479
-21.610
-21.530
-22.707
-20.167
-19.086
-20.574
-20.871
-19.327
-18.291
-16.900
-15.896
-15.421
-15.425
-14.493
-14.497
-14.030
-18.566
-18.509
-18.900
-19.081
-19.306
-20.598
-19.287
-17.914
-3.189
-2.891
-3.012
-2.465
-3.152
-4.460
-4.507
-5.632
-5.700
-6.829
-6.866
-1.034
-0.330
-0.545
0.812
1.115
2.483
0.759
1.612
2.769
0.974
1.639
0.634
-0.031
-0.679
0.127
2.338
3.492
1.693
2.313
1.464
0.160
-0.758
-0.488
-1.748
3.619
4.626
3.646
4.849
4.675
5.906
5.489
7.091
5.909
7.053
5.540
6.504
5.896
6.978
5.274
7.155
8.361
6.387
7.012
6.028
5.053
5.318
6.118
8.077
9.177
7.791
8.771
8.216
9.277
9.445
10.100
10.420
11.076
11.239
9.925
11.084
9.625
10.658
10.114
9.280
11.253
11.905
-4.670
-5.599
-3.369
-2.861
-3.377
-2.685
-1.465
-3.241
-0.806
-2.585
-1.366
-3.248
-2.936
-3.904
-4.314
-5.284
-5.657
-4.640
-3.079
-2.991
-2.072
-0.896
0.051
-0.692
-1.716
-0.176
-0.204
0.195
-0.069
0.689
0.714
1.473
1.195
1.737
0.441
0.089
0.785
-1.232
-1.827
-3.335
-4.097
-5.510
-4.172
-1.653
-1.348
-1.828
-1.799
-2.046
-1.836
-3.452
-0.462
-0.371
0.623
1.902
3.045
2.874
3.149
3.876
2.036
2.497
1.627
1.775
1.426
1.726
3.006
0.729
3.290
1.006
2.288
0.867
1.276
-0.400
-1.373
-2.761
-2.762
-3.794
-3.952
S120
1.00270.88
1.00270.88
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00359.67
1.00237.10
1.00237.10
1.00237.10
1.00237.10
1.00237.10
1.00237.10
1.00237.10
1.00188.35
1.00188.35
1.00188.35
1.00188.35
1.00188.35
1.00188.35
1.00188.35
1.00188.35
1.00148.53
1.00148.53
1.00148.53
1.00148.53
1.00148.53
1.00148.53
1.00148.53
1.00148.53
1.00148.53
1.00170.48
1.00170.48
1.00170.48
1.00170.48
1.00170.48
1.00170.48
1.00170.48
1.00170.48
1.00139.74
1.00139.74
1.00139.74
1.00139.74
1.00139.74
1.00139.74
1.00139.74
1.00200.38
1.00200.38
1.00200.38
1.00200.38
1.00200.38
1.00200.38
1.00200.38
1.00200.38
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00147.20
1.00197.95
1.00197.95
1.00197.95
1.00197.95
1.00197.95
1.00197.95
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
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
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
SG
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
201
201
202
202
202
202
202
202
202
203
203
203
203
204
204
204
204
205
205
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
210
210
210
210
210
210
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
213
213
213
213
-20.241
-20.143
-21.369
-22.587
-23.753
-23.499
-23.991
-22.478
-22.878
-21.933
-21.918
-21.084
-21.467
-19.905
-19.048
-19.641
-19.737
-20.059
-20.526
-20.639
-21.081
-20.131
-21.212
-21.850
-22.038
-22.810
-24.145
-25.056
-25.174
-26.424
-24.202
-24.977
-23.394
-23.553
-22.339
-22.370
-21.238
-20.075
-18.961
-19.341
-19.511
-20.570
-19.490
-19.071
-19.427
-18.805
-18.763
-18.274
-17.903
-16.452
-19.563
-18.970
-20.900
-21.706
-23.202
-23.551
-21.560
-21.564
-21.440
-21.327
-21.227
-20.947
-22.516
-20.078
-20.095
-18.955
-17.699
-16.535
-16.258
-15.085
-16.066
-17.765
-17.343
-18.301
-18.322
-18.827
-20.578
11.529
12.751
10.917
11.630
10.726
9.897
9.877
12.527
13.687
12.026
12.854
14.050
15.171
13.837
14.954
15.875
17.080
15.324
16.127
15.292
16.078
17.250
15.130
16.781
17.964
16.013
16.468
15.337
14.423
15.916
17.427
18.383
17.191
17.941
18.749
19.977
18.071
18.715
17.719
16.771
17.539
15.919
19.739
20.800
19.469
20.406
19.911
21.066
18.639
18.849
21.700
22.769
21.640
22.826
22.515
21.674
23.542
24.770
22.775
23.334
22.281
22.973
21.443
24.159
25.262
23.646
24.333
23.550
22.212
21.467
22.413
25.652
26.671
25.678
26.909
26.761
26.295
-1.003
-1.070
-0.600
-0.334
-0.079
1.045
-1.332
0.846
0.782
1.965
3.129
2.842
3.173
2.232
1.975
0.949
1.169
-0.207
-1.303
-2.588
-3.830
-4.124
-5.031
-1.009
-1.285
-0.459
-0.168
0.196
-0.884
0.581
0.980
0.943
2.033
3.247
3.600
3.561
3.973
4.522
4.886
6.039
7.360
5.685
3.590
4.048
2.271
1.370
-0.046
-0.935
-0.148
0.282
1.355
1.490
1.219
1.154
0.962
-0.613
2.459
2.512
3.557
4.871
5.934
7.278
5.910
4.960
5.501
4.424
4.548
3.923
4.631
3.971
6.145
3.847
4.394
2.613
1.880
0.429
0.300
S121
1.00197.95
1.00197.95
1.00159.18
1.00159.18
1.00159.18
1.00159.18
1.00159.18
1.00159.18
1.00159.18
1.00 70.42
1.00 70.42
1.00 70.42
1.00 70.42
1.00 60.79
1.00 60.79
1.00 60.79
1.00 60.79
1.00193.33
1.00193.33
1.00193.33
1.00193.33
1.00193.33
1.00193.33
1.00193.33
1.00193.33
1.00 97.07
1.00 97.07
1.00 97.07
1.00 97.07
1.00 97.07
1.00 97.07
1.00 97.07
1.00102.03
1.00102.03
1.00102.03
1.00102.03
1.00109.38
1.00109.38
1.00109.38
1.00109.38
1.00109.38
1.00109.38
1.00109.38
1.00109.38
1.00 95.36
1.00 95.36
1.00 95.36
1.00 95.36
1.00 95.36
1.00 95.36
1.00 95.36
1.00 95.36
1.00 46.99
1.00 46.99
1.00 46.99
1.00 46.99
1.00 46.99
1.00 46.99
1.00 51.84
1.00 51.84
1.00 51.84
1.00 51.84
1.00 51.84
1.00 51.84
1.00 51.84
1.00 47.78
1.00 47.78
1.00 47.78
1.00 47.78
1.00 47.78
1.00 47.78
1.00 47.78
1.00 47.78
1.00 77.69
1.00 77.69
1.00 77.69
1.00 77.69
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
S
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
213
213
214
214
214
214
214
214
214
214
215
215
215
215
215
215
215
215
216
216
216
216
216
216
216
216
217
217
217
217
217
217
218
218
218
218
218
218
218
218
218
218
218
218
219
219
219
219
219
219
219
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
222
222
222
222
222
222
-19.199
-18.854
-20.353
-21.322
-22.544
-23.681
-23.292
-24.209
-20.691
-20.786
-20.003
-19.418
-18.835
-17.679
-18.443
-18.114
-18.340
-18.279
-17.471
-16.372
-15.423
-14.815
-16.125
-15.162
-16.878
-16.445
-17.825
-18.302
-19.261
-20.448
-19.048
-18.879
-19.890
-20.738
-21.814
-22.869
-23.685
-23.056
-24.671
-24.046
-24.852
-25.864
-19.905
-20.259
-18.792
-17.955
-16.767
-15.916
-17.264
-17.432
-17.314
-17.104
-16.575
-16.261
-15.110
-14.345
-14.978
-17.603
-17.269
-18.890
-19.956
-21.306
-22.391
-21.342
-19.948
-20.157
-19.693
-19.705
-19.420
-20.599
-21.769
-20.531
-22.863
-21.623
-22.792
-18.648
-18.897
27.886
29.059
27.406
28.243
27.412
28.179
28.624
29.325
28.861
30.069
28.051
28.572
27.510
26.808
28.121
27.072
29.552
30.637
29.209
30.074
29.476
28.206
29.228
28.944
31.372
32.444
31.313
32.504
32.211
31.603
33.359
34.577
32.737
33.501
32.685
33.700
34.086
34.266
35.023
35.207
35.587
36.552
34.223
35.320
33.610
34.248
33.423
33.202
32.084
35.517
36.532
35.483
36.621
36.323
35.327
35.198
34.604
37.709
38.885
37.338
38.297
37.656
38.737
36.915
39.041
40.252
38.338
38.998
38.069
37.185
37.703
35.842
36.896
35.030
35.557
40.059
41.176
2.592
2.723
3.089
3.730
4.171
4.874
6.293
3.998
4.934
5.143
5.754
6.953
7.844
7.114
9.197
10.256
6.613
7.190
5.646
5.336
4.333
4.952
2.987
1.836
4.785
5.203
3.834
3.196
2.029
2.517
4.168
4.191
5.011
5.874
6.606
6.879
5.841
8.118
6.019
8.306
7.257
7.441
6.891
7.318
7.341
8.319
8.722
7.608
9.291
7.720
8.405
6.414
5.718
4.241
4.195
5.148
3.050
5.738
5.867
5.609
5.584
5.427
5.565
4.078
6.880
6.909
7.997
9.269
10.461
10.668
11.175
10.383
11.376
10.583
11.079
9.292
9.744
S122
1.00 77.69
1.00 77.69
1.00130.40
1.00130.40
1.00130.40
1.00130.40
1.00130.40
1.00130.40
1.00130.40
1.00130.40
1.00 88.29
1.00 88.29
1.00 88.29
1.00 88.29
1.00 88.29
1.00 88.29
1.00 88.29
1.00 88.29
1.00 84.61
1.00 84.61
1.00 84.61
1.00 84.61
1.00 84.61
1.00 84.61
1.00 84.61
1.00 84.61
1.00 43.65
1.00 43.65
1.00 43.65
1.00 43.65
1.00 43.65
1.00 43.65
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00 95.24
1.00110.56
1.00110.56
1.00110.56
1.00110.56
1.00110.56
1.00110.56
1.00110.56
1.00 54.59
1.00 54.59
1.00 54.59
1.00 54.59
1.00 54.59
1.00 54.59
1.00 54.59
1.00 54.59
1.00 52.12
1.00 52.12
1.00 52.12
1.00 52.12
1.00 52.12
1.00 52.12
1.00 52.12
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
1.00 82.36
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
C
O
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
GLY
223
223
223
223
223
223
224
224
224
224
224
224
224
225
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
230
230
230
230
230
230
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233
-17.435
-16.368
-15.059
-14.557
-16.766
-16.557
-17.352
-17.734
-18.214
-19.379
-17.092
-18.830
-18.811
-19.792
-20.937
-21.877
-22.957
-22.439
-23.166
-20.480
-20.901
-19.611
-19.008
-19.607
-19.243
-19.890
-17.723
-19.035
-19.839
-18.129
-18.014
-16.956
-15.580
-14.698
-15.185
-14.374
-19.307
-19.903
-19.795
-20.966
-21.021
-19.832
-21.063
-21.382
-22.170
-22.218
-23.140
-24.389
-22.893
-25.199
-24.120
-24.923
-24.768
-25.555
-26.005
-26.481
-26.888
-27.150
-27.555
-27.686
-28.785
-29.343
-29.849
-30.536
-30.000
-31.025
-32.424
-33.587
-34.864
-35.093
-35.721
-30.920
-29.848
-32.055
-32.159
-31.389
-31.569
39.748
40.706
40.193
39.095
41.932
43.052
41.750
42.872
42.491
41.685
41.724
43.633
44.862
42.923
43.588
42.647
43.485
41.616
40.453
44.594
45.746
44.182
45.024
46.425
47.509
48.856
47.611
44.316
43.416
44.735
44.140
44.862
44.927
46.033
47.439
48.458
44.353
43.424
45.603
45.933
47.376
47.645
48.297
49.753
45.656
45.922
45.074
44.855
44.114
43.980
43.187
46.227
47.064
46.486
47.816
48.023
49.367
48.060
47.174
49.292
49.612
51.024
48.641
48.110
48.370
47.449
48.017
47.021
47.808
48.867
47.283
47.231
47.344
46.850
46.723
45.555
44.417
8.798
8.867
8.243
8.991
8.108
8.571
6.912
6.108
4.734
4.813
4.016
6.785
6.803
7.407
7.957
8.653
9.359
7.660
8.336
8.959
8.876
9.909
10.912
11.175
10.135
10.497
9.940
12.219
12.456
13.115
14.409
15.250
14.591
15.170
14.806
15.508
15.126
15.669
15.103
15.851
16.267
17.204
15.036
15.376
15.026
13.826
15.667
15.010
16.729
15.963
16.728
14.797
15.684
13.643
13.382
11.931
11.723
14.294
15.045
14.259
15.108
14.858
14.740
15.611
13.428
13.051
13.365
13.320
13.591
13.007
14.507
11.576
10.982
10.964
9.547
9.034
9.463
S123
1.00 87.92
1.00 87.92
1.00 87.92
1.00 87.92
1.00 87.92
1.00 87.92
1.00146.38
1.00146.38
1.00146.38
1.00146.38
1.00146.38
1.00146.38
1.00146.38
1.00135.62
1.00135.62
1.00135.62
1.00135.62
1.00135.62
1.00135.62
1.00135.62
1.00135.62
1.00354.06
1.00354.06
1.00354.06
1.00354.06
1.00354.06
1.00354.06
1.00354.06
1.00354.06
1.00243.28
1.00243.28
1.00243.28
1.00243.28
1.00243.28
1.00243.28
1.00243.28
1.00243.28
1.00243.28
1.00220.18
1.00220.18
1.00220.18
1.00220.18
1.00220.18
1.00220.18
1.00220.18
1.00220.18
1.00197.13
1.00197.13
1.00197.13
1.00197.13
1.00197.13
1.00197.13
1.00197.13
1.00 91.40
1.00 91.40
1.00 91.40
1.00 91.40
1.00 91.40
1.00 91.40
1.00360.34
1.00360.34
1.00360.34
1.00360.34
1.00360.34
1.00298.30
1.00298.30
1.00298.30
1.00298.30
1.00298.30
1.00298.30
1.00298.30
1.00298.30
1.00298.30
1.00567.95
1.00567.95
1.00567.95
1.00567.95
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
SG
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
HIS
234
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
235
235
235
235
236
236
236
236
236
236
236
236
236
237
237
237
237
237
238
238
238
238
238
238
238
238
238
238
238
239
239
239
239
239
239
240
240
240
240
240
240
240
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
244
-30.494
-29.798
-28.873
-28.467
-29.645
-29.245
-29.054
-28.967
-28.869
-28.344
-27.481
-26.814
-25.708
-26.204
-25.070
-25.270
-26.499
-24.265
-28.300
-27.846
-29.545
-30.399
-31.765
-32.688
-33.934
-34.895
-34.399
-30.653
-30.624
-30.876
-31.203
-31.406
-30.077
-30.290
-28.836
-27.711
-26.362
-26.230
-26.904
-25.421
-26.781
-25.294
-25.974
-27.722
-27.446
-28.052
-28.016
-28.380
-29.744
-28.996
-28.701
-30.191
-31.172
-32.518
-33.475
-32.455
-30.688
-30.861
-30.043
-29.599
-28.849
-29.909
-28.645
-28.662
-27.787
-26.830
-25.882
-24.964
-27.563
-27.123
-28.712
-29.443
-30.620
-31.244
-29.985
-29.962
-30.483
45.845
44.844
45.430
44.405
43.959
43.146
41.720
43.977
42.773
44.549
43.745
44.541
43.763
42.986
42.160
40.832
40.294
40.046
42.652
41.514
42.972
42.009
42.596
41.591
42.231
41.220
40.802
40.869
39.708
41.173
40.151
40.706
39.174
37.966
39.673
38.791
39.531
40.088
41.227
39.467
41.736
39.976
41.113
37.844
36.657
38.333
37.457
38.154
38.548
36.348
35.195
36.657
35.619
36.097
35.065
36.479
34.575
33.380
34.992
34.029
34.667
35.763
33.113
31.902
33.674
32.861
33.680
32.816
31.897
30.764
32.318
31.467
32.186
31.319
30.285
29.162
30.502
8.077
7.328
6.249
5.187
4.314
3.077
3.432
8.213
7.981
9.255
10.069
11.207
11.926
13.145
13.644
13.876
13.622
14.362
10.678
10.791
11.072
11.705
12.085
12.769
13.380
14.003
15.332
10.768
11.170
9.478
8.528
7.106
8.481
8.380
8.562
8.480
8.436
7.062
6.693
6.142
5.423
4.869
4.504
9.637
9.473
10.845
11.979
13.302
13.296
11.784
12.096
11.251
11.123
10.656
10.834
9.170
10.170
10.405
9.069
8.104
6.922
5.934
8.796
8.580
9.664
10.354
11.251
11.906
11.236
11.423
11.805
12.702
13.382
14.316
11.955
12.457
10.722
S124
1.00267.96
1.00267.96
1.00267.96
1.00267.96
1.00267.96
1.00267.96
1.00267.96
1.00267.96
1.00267.96
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00150.56
1.00148.16
1.00148.16
1.00148.16
1.00148.16
1.00148.16
1.00148.16
1.00148.16
1.00148.16
1.00148.16
1.00123.32
1.00123.32
1.00123.32
1.00123.32
1.00123.32
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00 84.41
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00102.39
1.00182.35
1.00182.35
1.00182.35
1.00182.35
1.00182.35
1.00182.35
1.00182.35
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 83.12
1.00 94.32
1.00 94.32
1.00 94.32
1.00 94.32
1.00 94.32
1.00 94.32
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00 93.23
1.00135.19
N
C
C
C
C
C
N
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
S
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1892
1893
1894
1895
1896
1897
1898
1899
1900
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
1961
1962
1963
1964
1965
1966
1967
1968
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
C
O
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
245
246
246
246
246
246
246
247
247
247
247
247
247
247
248
248
248
248
248
248
248
249
249
249
249
249
249
250
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
252
252
252
252
253
253
253
253
-31.034
-33.127
-32.034
-31.604
-32.189
-31.473
-33.173
-29.958
-30.188
-28.749
-27.646
-26.380
-26.472
-25.261
-26.641
-27.320
-27.159
-27.232
-26.848
-26.689
-26.312
-27.893
-27.569
-29.181
-30.238
-31.598
-32.619
-31.778
-30.157
-30.279
-29.939
-29.902
-29.632
-29.490
-30.752
-28.793
-28.957
-27.628
-26.501
-25.215
-25.352
-26.803
-26.489
-27.455
-27.682
-28.418
-27.653
-28.448
-26.223
-28.539
-28.248
-29.639
-30.517
-31.875
-32.600
-32.275
-33.617
-32.939
-34.285
-33.946
-29.910
-30.092
-29.237
-28.623
-28.301
-29.597
-30.422
-29.987
-31.618
-31.181
-31.999
-27.361
-27.089
-26.550
-25.242
-25.315
-24.495
29.416
27.866
28.654
29.836
27.016
28.121
26.902
28.417
27.210
28.906
28.049
28.859
29.667
30.596
28.731
27.206
25.992
27.838
27.139
28.074
27.325
26.126
25.014
26.482
25.586
26.155
25.038
27.411
24.352
23.241
24.518
23.398
23.802
22.531
24.747
22.498
21.281
23.081
22.277
23.093
23.947
21.537
20.355
22.206
21.594
22.530
23.826
24.708
23.532
20.375
19.325
20.476
19.349
19.693
20.570
21.902
20.071
22.721
20.884
22.211
18.241
17.071
18.588
17.666
18.311
18.484
19.547
17.576
19.702
17.725
18.790
17.037
15.874
17.777
17.303
15.984
15.106
9.960
8.063
7.779
8.597
6.234
6.659
7.108
9.691
9.755
9.371
9.053
8.727
7.421
7.251
6.217
10.247
10.136
11.432
12.625
13.836
14.983
12.978
13.391
12.819
13.192
12.954
13.231
13.822
12.360
12.873
11.046
10.156
8.736
7.882
8.273
10.581
10.640
10.904
11.267
11.489
12.614
12.531
12.651
13.498
14.774
15.752
16.080
17.057
16.564
14.619
15.190
13.853
13.735
13.126
14.093
14.201
14.875
15.084
15.761
15.868
12.926
13.254
11.808
10.884
9.525
8.812
9.096
7.854
8.436
7.191
7.481
11.399
11.111
12.173
12.532
13.240
12.980
S125
1.00135.19
1.00135.19
1.00135.19
1.00135.19
1.00135.19
1.00135.19
1.00135.19
1.00135.19
1.00135.19
1.00 92.45
1.00 92.45
1.00 92.45
1.00 92.45
1.00 92.45
1.00 92.45
1.00 92.45
1.00 92.45
1.00 93.27
1.00 93.27
1.00 93.27
1.00 93.27
1.00 93.27
1.00 93.27
1.00 43.84
1.00 43.84
1.00 43.84
1.00 43.84
1.00 43.84
1.00 43.84
1.00 43.84
1.00 72.32
1.00 72.32
1.00 72.32
1.00 72.32
1.00 72.32
1.00 72.32
1.00 72.32
1.00107.29
1.00107.29
1.00107.29
1.00107.29
1.00107.29
1.00107.29
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00 57.85
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00129.72
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00150.63
1.00 47.42
1.00 47.42
1.00 47.42
1.00 47.42
C
N
C
C
N
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
CB
OG1
CG2
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
SG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
N
CA
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
254
254
254
254
254
254
254
255
255
255
255
255
255
256
256
256
256
256
256
256
256
256
256
256
257
257
257
257
257
257
258
258
258
258
258
258
258
259
259
259
259
259
259
259
259
260
260
260
260
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
263
263
263
263
263
263
263
264
264
-26.286
-26.353
-27.448
-27.357
-28.816
-26.582
-25.967
-27.479
-27.768
-28.899
-28.508
-26.538
-26.205
-25.825
-24.640
-23.989
-24.874
-24.823
-25.745
-25.635
-26.561
-26.508
-23.633
-23.004
-23.450
-22.470
-22.356
-21.112
-22.829
-22.001
-24.096
-24.525
-25.953
-26.354
-26.093
-24.405
-23.938
-24.824
-24.740
-25.460
-24.812
-23.579
-25.565
-23.295
-22.925
-22.408
-21.025
-20.107
-18.693
-18.137
-17.918
-16.830
-16.611
-16.064
-20.683
-20.089
-21.107
-20.774
-21.333
-20.737
-21.321
-20.625
-22.573
-23.112
-24.604
-25.377
-22.295
-21.882
-22.024
-21.142
-23.135
-21.180
-22.665
-19.802
-19.204
-19.288
-18.022
15.799
14.574
14.581
13.422
14.636
13.422
12.367
13.585
12.514
12.847
13.911
12.201
11.034
13.241
13.018
14.312
14.878
14.390
15.903
14.908
16.425
15.927
12.324
11.358
12.805
12.221
12.957
12.211
10.801
9.900
10.561
9.238
9.197
7.727
10.069
8.367
7.232
8.883
8.081
8.659
9.927
9.924
10.920
7.852
6.834
8.793
8.502
9.656
9.267
9.429
8.746
9.070
8.385
8.546
7.311
6.343
7.344
6.311
6.580
7.748
4.993
3.985
4.939
3.645
3.690
4.142
2.999
1.853
3.637
2.966
4.139
3.773
4.168
2.662
1.680
3.468
3.072
14.152
14.897
15.928
16.743
15.227
13.965
14.115
12.974
12.065
11.076
10.222
11.270
11.073
10.794
10.014
9.493
8.434
7.149
8.719
6.168
7.743
6.464
10.871
10.442
12.113
12.980
14.327
15.421
13.281
13.152
13.672
14.033
14.489
14.703
15.748
12.830
12.919
11.661
10.479
9.236
8.695
8.437
8.513
10.198
9.637
10.546
10.310
10.753
10.492
9.245
11.503
9.009
11.272
10.023
11.146
10.671
12.421
13.354
14.762
15.306
12.903
12.969
12.416
12.088
11.702
12.804
11.002
11.163
9.897
8.998
9.114
7.710
7.647
9.561
9.127
10.504
11.033
S126
1.00117.12
1.00117.12
1.00117.12
1.00117.12
1.00117.12
1.00117.12
1.00117.12
1.00 74.37
1.00 74.37
1.00 74.37
1.00 74.37
1.00 74.37
1.00 74.37
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00102.73
1.00109.41
1.00109.41
1.00109.41
1.00109.41
1.00109.41
1.00109.41
1.00 76.64
1.00 76.64
1.00 76.64
1.00 76.64
1.00 76.64
1.00 76.64
1.00 76.64
1.00192.04
1.00192.04
1.00192.04
1.00192.04
1.00192.04
1.00192.04
1.00192.04
1.00192.04
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00136.74
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00 77.32
1.00 77.32
1.00 77.32
1.00 77.32
1.00 77.32
1.00 77.32
1.00237.37
1.00237.37
1.00237.37
1.00237.37
1.00237.37
1.00237.37
1.00237.37
1.00106.18
1.00106.18
N
C
C
O
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
S
C
O
N
C
C
C
C
C
O
N
C
C
C
O
O
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
OG
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
ND1
CG
CB
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CB
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
OD1
OD2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
C
O
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
264
264
264
264
265
265
265
265
265
265
265
266
266
266
266
266
266
266
266
266
266
267
267
267
267
267
267
268
268
268
268
268
269
269
269
269
269
269
269
269
269
270
270
270
270
270
270
270
270
270
271
271
271
271
271
271
271
271
272
272
272
272
272
272
272
273
273
273
273
273
273
273
274
274
274
274
274
-17.366
-18.073
-18.246
-17.439
-19.373
-19.641
-19.998
-21.146
-18.801
-20.786
-21.954
-20.472
-21.499
-22.514
-21.997
-20.935
-23.564
-22.649
-23.444
-22.427
-23.644
-21.891
-22.793
-22.255
-22.061
-22.921
-21.939
-24.144
-24.233
-24.486
-25.357
-26.339
-25.196
-26.137
-25.619
-26.621
-26.046
-24.872
-26.896
-27.377
-28.476
-27.226
-28.302
-27.918
-28.853
-30.257
-30.365
-30.193
-29.517
-29.436
-30.689
-31.971
-32.948
-32.435
-31.510
-32.960
-32.601
-32.000
-33.868
-34.610
-36.052
-36.153
-36.713
-33.970
-33.022
-34.484
-33.837
-33.981
-35.467
-33.164
-34.300
-35.230
-33.632
-33.943
-33.259
-33.479
-34.186
4.116
4.235
1.811
0.885
1.734
0.556
0.860
1.694
1.561
-0.173
0.080
-1.164
-1.879
-3.449
-3.790
-3.019
-5.303
-4.921
-4.386
-2.497
-2.354
-3.208
-3.745
-5.004
-6.024
-2.676
-2.288
-2.159
-1.065
0.287
-1.289
-1.962
-0.708
-0.772
-0.098
-0.148
0.641
0.509
1.498
-0.035
-0.433
1.059
1.962
3.022
4.232
3.936
4.083
5.501
1.215
0.224
1.680
1.097
1.194
0.294
-0.516
0.401
1.829
1.997
2.255
2.953
3.176
4.004
1.812
4.297
4.632
5.103
6.326
6.601
6.667
7.860
7.556
8.245
7.895
9.118
9.212
10.287
11.282
11.959
13.183
11.808
11.756
12.543
13.314
14.744
14.808
15.410
12.682
12.972
11.831
11.131
8.316
9.548
10.270
8.958
9.924
8.013
12.122
12.022
13.124
14.092
14.785
13.818
15.118
15.747
15.319
16.234
15.545
17.182
16.877
18.383
19.457
20.739
21.895
23.064
23.403
23.693
19.071
19.447
18.300
17.995
16.942
16.886
16.364
14.845
14.462
17.530
16.806
18.008
17.730
18.913
20.033
19.761
21.174
16.584
15.526
16.776
15.763
16.121
17.270
16.389
15.569
16.273
14.608
14.211
12.733
12.326
12.427
14.947
14.536
16.064
16.750
18.125
15.926
15.768
S127
1.00106.18
1.00106.18
1.00106.18
1.00106.18
1.00247.51
1.00247.51
1.00247.51
1.00247.51
1.00247.51
1.00247.51
1.00247.51
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00209.49
1.00150.04
1.00150.04
1.00150.04
1.00150.04
1.00150.04
1.00150.04
1.00108.69
1.00108.69
1.00108.69
1.00108.69
1.00108.69
1.00141.31
1.00141.31
1.00141.31
1.00141.31
1.00141.31
1.00141.31
1.00141.31
1.00141.31
1.00141.31
1.00251.37
1.00251.37
1.00251.37
1.00251.37
1.00251.37
1.00251.37
1.00251.37
1.00251.37
1.00251.37
1.00163.96
1.00163.96
1.00163.96
1.00163.96
1.00163.96
1.00163.96
1.00163.96
1.00163.96
1.00312.69
1.00312.69
1.00312.69
1.00312.69
1.00312.69
1.00312.69
1.00312.69
1.00510.13
1.00510.13
1.00510.13
1.00510.13
1.00510.13
1.00510.13
1.00510.13
1.00164.10
1.00164.10
1.00164.10
1.00164.10
1.00164.10
C
O
C
O
N
C
C
O
C
C
O
N
C
N
C
C
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
O
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
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
N
CA
CB
OG
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
SD
CE
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
OG1
CG2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
SD
CE
C
O
N
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
LEU
275
275
275
275
275
275
276
276
276
276
276
276
276
277
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
280
280
280
280
280
280
280
281
281
281
281
281
281
281
282
282
282
282
282
282
282
283
283
283
283
283
283
283
284
284
284
284
284
284
284
284
285
-32.261
-31.587
-30.164
-30.217
-32.327
-32.475
-32.801
-33.464
-33.945
-34.867
-32.715
-34.702
-34.993
-35.475
-36.721
-37.585
-36.953
-37.931
-39.152
-36.440
-37.213
-35.332
-34.984
-33.732
-33.403
-34.170
-32.313
-33.872
-32.010
-32.790
-32.480
-34.712
-35.134
-34.003
-33.664
-32.791
-32.219
-33.648
-34.928
-35.043
-35.922
-37.184
-38.068
-39.158
-38.487
-37.842
-38.641
-37.550
-38.104
-37.679
-38.232
-38.151
-37.674
-38.408
-36.464
-36.004
-34.628
-34.398
-33.576
-36.963
-37.084
-37.664
-38.577
-37.097
-39.112
-37.892
-39.593
-40.184
-39.906
-40.786
-41.339
-42.488
-42.014
-43.702
-40.147
-40.786
-38.861
10.164
11.216
10.808
9.699
11.620
12.814
10.653
11.043
9.944
10.563
9.257
11.799
12.805
11.333
11.989
11.298
11.332
10.527
11.861
13.385
14.299
13.585
14.870
14.771
16.106
16.631
16.816
17.858
18.043
18.566
19.825
15.841
16.998
15.389
16.257
15.616
16.615
14.670
16.676
17.783
15.782
15.930
14.756
15.196
14.046
17.175
17.804
17.535
18.671
18.734
20.030
17.454
19.959
20.948
19.992
21.235
21.258
20.151
21.372
21.757
22.974
20.942
21.505
19.710
20.325
19.387
22.422
23.197
22.278
23.176
22.533
23.299
24.826
25.229
24.494
25.543
24.482
15.363
14.655
14.231
13.345
13.419
13.163
12.607
11.392
10.492
9.425
9.873
11.710
11.070
12.704
12.985
14.057
15.453
16.756
16.921
13.451
13.178
14.188
14.731
15.620
16.192
17.206
15.741
17.748
16.281
17.284
17.840
13.613
13.661
12.565
11.471
10.430
9.598
9.572
10.799
10.278
10.832
10.176
10.488
11.481
9.193
10.722
10.034
11.993
12.698
14.137
14.753
14.847
12.080
12.116
11.500
10.957
10.340
9.482
11.436
9.943
9.840
9.206
8.261
8.683
7.459
7.404
8.871
8.123
10.173
10.881
12.165
12.825
13.689
14.221
11.269
11.204
11.681
S128
1.00131.64
1.00131.64
1.00131.64
1.00131.64
1.00131.64
1.00131.64
1.00650.36
1.00650.36
1.00650.36
1.00650.36
1.00650.36
1.00650.36
1.00650.36
1.00318.15
1.00318.15
1.00318.15
1.00318.15
1.00318.15
1.00318.15
1.00318.15
1.00318.15
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00175.24
1.00679.25
1.00679.25
1.00679.25
1.00679.25
1.00679.25
1.00679.25
1.00679.25
1.00355.87
1.00355.87
1.00355.87
1.00355.87
1.00355.87
1.00355.87
1.00355.87
1.00394.60
1.00394.60
1.00394.60
1.00394.60
1.00394.60
1.00394.60
1.00394.60
1.00688.80
1.00688.80
1.00688.80
1.00688.80
1.00688.80
1.00688.80
1.00688.80
1.00553.46
1.00553.46
1.00553.46
1.00553.46
1.00553.46
1.00553.46
1.00553.46
1.00443.99
1.00443.99
1.00443.99
1.00443.99
1.00443.99
1.00443.99
1.00443.99
1.00443.99
1.00311.94
N
C
C
O
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
O
C
C
O
N
C
C
C
C
C
O
N
C
C
C
S
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2200
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
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CD
CB
CG
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
285
285
285
285
285
285
285
286
286
286
286
286
286
286
286
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
290
290
290
290
290
290
290
290
290
290
290
290
291
291
291
291
291
291
292
292
292
292
292
292
292
292
293
293
293
293
293
293
293
293
293
293
-38.266
-36.878
-36.442
-37.357
-34.949
-38.103
-38.248
-37.785
-37.434
-37.123
-36.724
-37.549
-35.420
-38.524
-38.219
-39.769
-40.778
-40.175
-42.070
-41.701
-40.843
-41.118
-40.592
-40.642
-40.478
-40.560
-41.775
-39.428
-41.865
-39.512
-40.731
-39.526
-39.721
-38.320
-37.140
-35.900
-35.878
-34.643
-33.416
-37.268
-36.898
-37.801
-37.899
-38.387
-37.966
-36.626
-38.883
-36.198
-38.461
-37.120
-36.691
-38.860
-38.651
-39.963
-40.985
-42.212
-42.791
-40.478
-40.683
-39.789
-39.392
-38.625
-39.438
-38.667
-40.856
-38.453
-38.617
-37.437
-36.368
-35.175
-34.461
-33.764
-34.795
-34.435
-33.124
-35.390
-36.780
25.630
25.392
26.640
26.834
26.630
26.837
27.955
26.667
27.803
27.427
28.691
29.565
28.796
28.825
30.009
28.476
29.494
27.307
28.802
27.305
30.219
31.418
29.514
30.117
29.060
29.695
29.822
30.154
30.402
30.732
30.858
31.109
32.244
30.693
31.501
30.726
30.455
31.437
30.534
32.700
33.805
32.505
33.564
33.032
33.976
34.161
34.632
35.010
35.484
35.678
36.551
34.566
35.773
34.079
34.960
34.197
33.435
35.818
37.030
35.223
36.012
35.216
34.108
33.545
34.579
37.087
38.252
36.697
37.547
36.767
35.893
36.682
36.977
37.493
37.770
37.730
38.570
12.322
12.927
13.714
14.934
14.068
11.457
11.943
10.167
9.365
7.906
7.160
6.903
6.794
9.352
9.469
9.205
9.194
8.448
8.743
8.631
10.495
10.496
11.609
12.905
14.013
15.358
15.989
15.992
17.233
17.235
17.858
13.011
13.445
12.591
12.700
12.338
10.825
12.845
12.763
11.819
12.210
10.599
9.641
8.281
7.208
6.956
6.423
5.965
5.428
5.198
4.175
10.180
10.080
10.768
11.247
11.772
10.723
12.366
12.361
13.357
14.489
15.558
16.247
17.451
16.603
14.060
14.416
13.277
12.852
12.272
13.307
14.419
15.451
16.661
16.926
17.606
11.843
S129
1.00311.94
1.00311.94
1.00311.94
1.00311.94
1.00311.94
1.00311.94
1.00311.94
1.00309.73
1.00309.73
1.00309.73
1.00309.73
1.00309.73
1.00309.73
1.00309.73
1.00309.73
1.00286.55
1.00286.55
1.00286.55
1.00286.55
1.00286.55
1.00286.55
1.00286.55
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00217.14
1.00212.93
1.00212.93
1.00212.93
1.00212.93
1.00212.93
1.00212.93
1.00212.93
1.00212.93
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00238.07
1.00143.72
1.00143.72
1.00143.72
1.00143.72
1.00143.72
1.00143.72
1.00 82.26
1.00 82.26
1.00 82.26
1.00 82.26
1.00 82.26
1.00 82.26
1.00 82.26
1.00 82.26
1.00241.49
1.00241.49
1.00241.49
1.00241.49
1.00241.49
1.00241.49
1.00241.49
1.00241.49
1.00241.49
1.00241.49
C
C
C
C
C
C
O
N
C
C
C
O
N
C
O
N
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
N
CA
CB
CG
OD1
ND2
C
O
N
CA
CB
CG
CD
OE1
NE2
C
O
N
CA
CB
CG
CD
OE1
OE2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
OG
C
O
N
CA
CB
OG
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
293
294
294
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
300
300
300
300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
302
302
303
303
-36.178
-37.777
-38.045
-38.152
-37.808
-38.622
-36.556
-39.326
-40.403
-39.221
-40.357
-39.958
-39.307
-37.994
-37.844
-37.015
-41.197
-42.423
-40.547
-41.252
-40.290
-40.922
-40.789
-40.147
-41.316
-42.139
-43.319
-41.584
-42.382
-41.635
-40.550
-41.088
-40.833
-43.405
-44.553
-43.001
-43.866
-43.176
-43.875
-45.239
-45.141
-44.483
-45.067
-46.192
-44.855
-45.946
-45.486
-46.613
-46.848
-48.064
-46.264
-47.072
-46.257
-47.143
-47.820
-48.979
-47.170
-47.805
-46.856
-45.649
-44.732
-46.099
-48.942
-50.039
-48.728
-49.738
-49.327
-48.029
-48.204
-48.747
-48.371
-47.480
-48.875
-50.930
-52.060
-50.706
-51.813
39.641
38.275
39.190
38.439
39.375
39.617
39.907
39.925
39.339
41.257
42.096
43.531
43.626
42.856
41.853
43.334
42.153
42.147
42.206
42.347
42.384
42.871
44.385
44.940
45.008
41.162
41.302
39.950
38.780
37.486
37.553
37.203
35.718
38.715
38.344
39.080
38.961
39.418
38.967
39.611
40.986
40.859
39.807
39.417
40.991
41.862
43.161
43.945
41.169
41.135
40.573
39.965
39.450
39.109
38.820
38.585
38.075
36.952
36.170
35.562
34.794
34.713
37.439
36.890
38.516
38.986
40.263
40.104
39.550
40.644
40.741
39.848
41.738
39.334
39.035
39.986
40.344
11.797
10.985
9.914
8.572
7.425
6.536
7.436
10.174
10.249
10.335
10.571
10.947
12.329
12.312
13.008
11.498
9.331
9.401
8.154
6.912
5.711
4.407
4.375
5.305
3.418
6.719
6.402
6.905
6.707
6.740
5.654
8.140
8.345
7.791
7.560
9.019
10.151
11.449
12.731
12.962
13.621
14.941
9.887
10.195
9.289
8.979
8.299
7.940
8.010
8.191
6.955
5.944
4.747
3.691
6.549
6.215
7.460
8.084
9.004
8.265
9.229
7.066
8.927
8.867
9.708
10.615
11.360
12.153
13.568
14.421
15.731
16.255
16.514
9.805
10.187
8.654
7.827
S130
1.00241.49
1.00210.68
1.00210.68
1.00210.68
1.00210.68
1.00210.68
1.00210.68
1.00210.68
1.00210.68
1.00112.93
1.00112.93
1.00112.93
1.00112.93
1.00112.93
1.00112.93
1.00112.93
1.00112.93
1.00112.93
1.00125.54
1.00125.54
1.00125.54
1.00125.54
1.00125.54
1.00125.54
1.00125.54
1.00125.54
1.00125.54
1.00149.59
1.00149.59
1.00149.59
1.00149.59
1.00149.59
1.00149.59
1.00149.59
1.00149.59
1.00158.17
1.00158.17
1.00158.17
1.00158.17
1.00158.17
1.00158.17
1.00158.17
1.00158.17
1.00158.17
1.00 82.28
1.00 82.28
1.00 82.28
1.00 82.28
1.00 82.28
1.00 82.28
1.00 96.81
1.00 96.81
1.00 96.81
1.00 96.81
1.00 96.81
1.00 96.81
1.00 64.75
1.00 64.75
1.00 64.75
1.00 64.75
1.00 64.75
1.00 64.75
1.00 64.75
1.00 64.75
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00181.67
1.00 81.22
1.00 81.22
O
N
C
C
C
O
N
C
O
N
C
C
C
C
O
N
C
O
N
C
C
C
C
O
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
O
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG
CD1
CD2
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
CB
CG
CD2
CD1
NE1
CE2
CE3
CZ2
CZ3
CH2
C
O
N
CA
CB
CG1
CG2
C
O
N
CA
CB
CG
CD
NE
CZ
NH1
NH2
C
O
N
CA
CB
CG
CD
CE
NZ
C
O
N
CA
CB
CG2
CG1
CD1
C
O
N
CA
ND1
CG
CB
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
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
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
HIS
HIS
HIS
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
308
308
308
309
309
309
309
309
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
-51.397
-50.840
-50.120
-49.608
-50.749
-52.474
-53.698
-51.674
-52.239
-51.134
-51.589
-50.378
-52.671
-53.046
-54.191
-52.496
-53.214
-52.435
-53.440
-51.324
-50.222
-54.468
-55.550
-54.379
-55.622
-55.518
-55.091
-53.734
-55.839
-55.030
-53.732
-52.585
-52.574
-51.419
-51.414
-55.869
-55.525
-56.555
-56.574
-57.554
-57.543
-57.191
-56.927
-56.170
-58.074
-58.376
-59.784
-60.907
-62.250
-61.972
-61.835
-61.942
-61.588
-57.426
-56.874
-57.154
-56.498
-56.054
-55.393
-55.203
-54.526
-54.505
-55.321
-54.582
-55.175
-54.065
-54.264
-52.914
-55.400
-56.773
-52.955
-53.174
-51.727
-50.635
-49.255
-48.721
-49.319
41.098
42.502
43.089
44.514
45.457
39.075
38.992
38.045
36.822
35.867
34.654
33.806
33.808
36.151
35.770
36.007
35.288
35.088
34.708
34.035
34.416
36.014
35.432
37.317
37.994
39.228
38.934
39.036
38.571
38.433
38.720
39.373
38.735
39.383
39.070
38.449
39.573
37.593
37.709
36.768
37.002
35.331
39.083
39.709
39.610
40.936
41.395
40.693
41.402
42.866
43.488
42.772
44.830
41.889
42.775
41.652
42.588
42.007
43.048
42.592
43.644
43.192
43.263
42.714
44.540
45.365
46.821
47.530
47.400
46.818
44.870
44.449
44.878
44.318
46.502
45.607
44.271
6.551
6.801
5.585
5.797
5.848
7.399
7.343
7.070
6.581
6.079
5.238
4.825
5.929
7.664
7.426
8.893
9.914
11.185
12.284
10.997
10.013
10.241
10.198
10.550
10.733
11.645
13.066
13.525
14.149
15.252
14.883
12.869
15.607
13.600
14.944
9.344
8.987
8.561
7.131
6.496
4.976
6.910
6.692
5.953
7.128
6.692
7.096
6.338
6.505
6.441
5.233
4.076
5.182
7.333
6.682
8.626
9.488
10.839
11.745
13.193
14.077
15.485
8.890
8.076
9.296
8.949
9.253
9.051
8.395
8.725
9.807
10.940
9.272
10.007
7.992
8.889
9.212
S131
1.00 81.22
1.00 81.22
1.00 81.22
1.00 81.22
1.00 81.22
1.00 81.22
1.00 81.22
1.00116.24
1.00116.24
1.00116.24
1.00116.24
1.00116.24
1.00116.24
1.00116.24
1.00116.24
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00110.00
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00154.53
1.00131.44
1.00131.44
1.00131.44
1.00131.44
1.00131.44
1.00131.44
1.00131.44
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00202.00
1.00287.29
1.00287.29
1.00287.29
1.00287.29
1.00287.29
1.00287.29
1.00287.29
1.00287.29
1.00287.29
1.00271.68
1.00271.68
1.00271.68
1.00271.68
1.00271.68
1.00271.68
1.00271.68
1.00271.68
1.00176.98
1.00176.98
1.00176.98
1.00176.98
1.00176.98
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
C
O
N
C
C
C
C
C
N
C
C
C
C
C
C
O
N
C
C
C
C
C
O
N
C
C
C
C
N
C
N
N
C
O
N
C
C
C
C
C
N
C
O
N
C
C
C
C
C
C
O
N
C
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
END
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
NE2
CD2
CE1
C
O
N
CA
CB
OG
C
O
N
CA
CD
CB
CG
C
O
OXT
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PRO
311
311
311
311
311
312
312
312
312
312
312
313
313
313
313
313
313
313
313
313
-47.390
-47.584
-48.419
-50.440
-50.065
-50.677
-50.596
-51.772
-51.758
-49.325
-49.330
-48.245
-46.931
-48.232
-45.967
-46.774
-46.809
-47.547
-45.959
47.423
46.183
47.570
45.087
44.509
46.414
47.272
47.101
45.798
47.010
46.603
47.235
46.992
48.332
47.623
48.819
47.649
48.640
47.190
8.775
9.359
7.962
11.267
12.286
11.211
12.361
13.340
13.905
13.097
14.258
12.401
12.934
11.446
11.933
11.399
14.269
14.515
15.077
S132
1.00176.98
1.00176.98
1.00176.98
1.00176.98
1.00176.98
1.00159.20
1.00159.20
1.00159.20
1.00159.20
1.00159.20
1.00159.20
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
1.00 75.88
N
C
C
C
O
N
C
C
O
C
O
N
C
C
C
C
C
O
O
PDB and structure of OR1G1 built by an ab initio protocol.
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1
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
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
N
CA
C
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
22
22
22
22
22
22
22
22
22
23
23
23
23
23
23
23
23
23
24
24
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
25
26
26
26
26
26
26
26
27
27
27
22.554
23.204
22.771
23.223
24.736
25.268
26.418
27.257
26.457
21.856
21.286
20.716
20.590
20.250
19.102
19.440
20.539
18.604
20.446
20.138
21.157
20.787
20.069
18.997
19.178
20.320
18.154
22.471
23.523
23.495
23.424
24.884
24.948
26.346
26.419
25.746
23.503
23.329
22.038
21.998
23.464
23.199
23.699
20.926
19.686
19.849
-16.212
-15.188
-15.111
-14.226
-15.386
-15.281
-14.382
-14.219
-13.562
-15.933
-15.989
-14.703
-14.478
-17.147
-17.045
-17.329
-17.812
-17.058
-13.724
-12.368
-11.756
-10.984
-11.607
-12.098
-13.483
-13.918
-14.332
-12.052
-11.438
-11.787
-10.830
-11.736
-11.215
-11.424
-10.957
-11.904
-13.052
-13.317
-12.828
-12.347
-14.848
-15.376
-14.240
-12.854
-12.244
-10.789
18.710
17.964
16.574
15.851
18.085
19.545
19.697
18.784
20.637
16.105
14.795
14.324
13.096
14.779
15.825
17.234
17.585
18.122
15.210
14.913
14.019
13.104
16.269
17.285
17.747
18.006
17.832
14.147
13.386
11.927
11.111
14.075
15.535
16.167
17.637
18.524
11.408
10.002
9.462
8.300
9.866
11.276
12.175
10.229
9.859
9.602
S133
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
N1+
C
C
O
C
C
C
O
O1N
C
C
O
C
C
C
O
O1N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N1+
N
C
C
O
C
C
C
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
OG
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
CE1
CE2
CZ
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
27
27
27
27
27
28
28
28
28
28
28
28
28
28
28
28
29
29
29
29
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
31
31
32
32
32
32
32
32
32
32
33
33
33
33
33
33
33
33
33
33
33
34
34
34
34
34
34
34
34
35
35
35
35
35
35
35
35
35
35
35
35
36
19.565
18.649
17.718
18.466
16.591
20.371
20.713
21.514
21.120
21.443
21.967
23.313
21.138
23.814
21.638
22.976
22.613
23.370
22.557
22.586
21.761
20.872
19.919
19.783
20.103
20.988
19.208
18.286
18.932
18.416
17.498
16.865
16.303
16.812
15.732
16.224
15.688
20.107
20.881
21.244
21.082
22.115
22.961
22.171
24.227
21.696
21.870
20.643
20.717
22.391
22.661
23.687
21.886
23.925
22.125
23.144
19.451
18.228
17.929
17.646
17.041
16.902
18.203
17.638
18.039
17.976
18.865
18.376
18.267
18.640
19.948
17.706
20.293
18.051
19.341
19.676
20.180
-10.348
-12.563
-13.757
-15.105
-13.871
-9.957
-8.581
-8.415
-7.596
-8.018
-6.644
-6.443
-5.524
-5.149
-4.229
-4.041
-9.171
-9.143
-9.300
-8.427
-10.381
-10.622
-9.506
-8.997
-11.943
-13.004
-9.009
-7.917
-6.649
-5.977
-7.790
-9.056
-9.982
-9.348
-11.177
-10.534
-11.452
-6.252
-5.147
-5.294
-4.325
-4.986
-3.708
-2.410
-3.742
-6.470
-6.715
-6.449
-5.678
-8.160
-8.474
-7.810
-9.430
-8.088
-9.711
-9.039
-7.000
-6.681
-5.222
-4.672
-7.489
-8.891
-10.030
-11.419
-4.485
-3.048
-2.440
-1.662
-2.573
-1.146
-0.712
-0.199
0.642
1.156
1.580
2.886
-2.759
8.462
10.968
10.622
10.523
11.670
10.534
10.297
9.059
8.195
11.545
11.366
11.012
11.544
10.823
11.355
10.993
8.841
7.621
6.393
5.490
6.270
5.169
4.940
3.801
5.410
5.771
5.970
5.849
5.420
4.493
7.177
7.630
6.728
9.004
7.182
9.459
8.550
5.959
5.478
4.041
3.260
6.402
6.152
6.439
7.035
3.545
2.140
1.333
0.345
1.936
0.515
-0.180
-0.162
-1.531
-1.513
-2.199
1.653
0.959
0.941
-0.155
1.541
0.910
1.429
0.428
2.073
2.111
1.083
0.224
3.566
3.723
3.436
4.179
3.525
4.276
3.935
4.004
1.058
S134
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
C
C
C
O
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
36
36
36
36
36
36
36
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
41
41
41
41
42
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
44
45
45
45
45
45
45
45
45
46
46
46
46
46
46
46
46
21.118
20.674
20.621
22.511
23.662
23.928
24.953
20.298
19.798
18.695
18.821
19.340
18.686
20.508
17.575
16.430
16.753
16.365
15.270
14.883
14.008
17.456
17.787
18.623
18.233
18.378
19.906
18.019
19.750
20.617
19.933
20.000
21.833
19.212
18.533
17.595
17.675
16.659
15.701
16.308
15.940
14.585
13.832
13.075
13.978
17.298
18.017
18.695
18.527
19.030
18.371
19.411
17.779
19.423
19.970
18.942
19.167
20.703
22.069
22.504
23.170
17.776
16.703
16.345
16.411
15.471
15.785
14.170
14.732
15.971
15.609
16.688
16.417
15.181
13.801
15.126
13.361
-2.259
-2.470
-1.481
-2.883
-2.318
-0.820
-3.129
-3.699
-3.978
-3.052
-2.311
-5.466
-5.774
-6.457
-3.014
-2.211
-0.766
-0.110
-2.492
-3.862
-1.666
-0.164
1.232
1.582
2.488
1.658
1.485
3.117
0.883
1.177
1.080
2.057
0.231
-0.017
-0.167
0.929
1.536
1.280
2.315
3.671
4.453
2.163
0.919
0.795
-0.140
4.052
5.283
5.350
6.379
5.495
5.868
5.756
7.297
4.315
4.280
4.517
5.419
2.937
2.819
1.340
3.645
3.830
4.130
5.574
6.227
3.207
1.751
3.709
0.711
6.181
7.571
8.444
9.275
7.901
7.244
9.426
7.314
0.097
-1.304
-2.077
0.368
-0.512
-0.244
-0.270
-1.726
-3.048
-3.414
-4.426
-3.178
-4.550
-2.972
-2.655
-2.976
-3.031
-4.031
-1.987
-2.056
-2.295
-2.040
-2.050
-3.228
-4.009
-0.664
-0.506
-0.310
-3.508
-4.602
-5.912
-6.697
-4.527
-6.244
-7.496
-7.814
-8.911
-6.910
-7.143
-7.193
-8.107
-6.089
-6.314
-7.299
-5.519
-6.348
-6.521
-7.840
-8.539
-5.369
-4.013
-2.879
-4.018
-8.323
-9.649
-10.694
-11.534
-9.897
-9.168
-9.087
-9.871
-10.732
-11.653
-11.643
-12.716
-11.376
-11.824
-12.060
-11.388
-10.493
-10.409
-10.946
-11.849
-8.942
-8.639
-8.666
-7.162
S135
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
N
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
ND1
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
47
47
47
47
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
51
51
51
51
51
51
51
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
55
55
55
55
55
55
55
55
56
56
56
56
56
56
56
17.958
19.052
19.286
19.423
20.324
20.274
21.344
20.480
19.319
19.436
18.359
18.673
19.484
19.233
20.851
17.059
16.001
16.170
16.021
14.597
14.424
13.472
13.158
16.498
16.826
17.954
17.824
17.058
15.694
17.768
15.805
19.095
20.217
19.887
20.144
21.372
21.669
22.690
19.368
19.244
17.892
16.895
19.653
21.059
21.480
21.844
17.747
16.521
16.142
16.937
16.604
17.182
15.219
14.948
14.382
13.774
12.729
15.318
14.682
14.905
13.946
16.136
14.315
13.888
12.627
12.487
15.074
16.255
16.940
17.306
11.596
10.360
9.221
8.553
10.295
11.611
12.540
8.318
9.102
8.951
9.992
8.775
9.336
8.652
10.869
7.753
7.584
8.295
9.051
6.060
5.743
5.459
8.153
8.871
10.340
11.055
8.380
6.865
9.196
6.241
10.914
12.309
12.703
13.728
12.638
12.607
13.999
12.693
11.984
12.268
12.302
13.352
11.256
11.159
11.656
11.232
11.181
11.564
10.822
9.790
9.439
9.190
9.330
12.707
13.129
12.210
12.060
14.588
15.444
15.172
11.577
10.607
9.511
9.052
10.076
9.078
7.653
6.886
7.133
9.023
7.839
8.029
7.620
7.379
6.678
7.553
6.240
8.653
9.053
8.519
9.259
10.602
11.254
11.089
-10.508
-10.995
-12.451
-13.131
-10.176
-8.728
-7.852
-8.696
-13.073
-14.497
-15.233
-16.185
-14.819
-16.312
-14.413
-14.880
-15.538
-15.391
-16.408
-15.075
-15.389
-15.766
-14.771
-14.211
-14.074
-14.964
-15.673
-12.564
-11.815
-12.340
-10.280
-15.021
-15.872
-17.319
-17.954
-15.621
-14.231
-16.312
-17.966
-19.397
-19.882
-19.695
-19.940
-19.707
-18.557
-20.675
-20.592
-21.203
-22.301
-23.256
-21.727
-20.749
-22.073
-22.251
-23.157
-22.420
-22.866
-24.286
-25.296
-25.000
-24.774
-25.030
-21.316
-20.609
-19.831
-18.655
-19.713
-20.440
-21.511
-19.397
-20.429
-19.827
-20.611
-21.371
-19.667
-19.579
-18.630
S136
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O1N1+
C
C
O
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
278
279
280
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
341
342
343
344
345
346
347
348
349
350
351
352
353
354
CD2
CE1
NE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
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
N
CA
C
O
CB
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
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
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
60
60
60
60
60
60
60
60
60
60
60
60
61
61
61
61
61
61
61
61
61
61
61
62
62
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
63
64
64
64
64
64
65
65
65
65
65
12.141
13.612
13.376
8.870
7.759
6.619
6.871
8.139
7.977
9.571
5.342
4.310
4.672
4.570
3.064
3.358
4.884
5.183
5.582
6.497
6.298
6.198
6.392
6.812
8.517
7.521
8.432
7.816
8.409
9.707
10.595
10.160
11.906
11.011
12.771
12.323
13.127
6.607
5.934
5.367
5.606
4.853
4.732
4.283
5.067
4.208
4.988
4.572
4.675
4.213
5.341
5.265
3.329
2.241
1.190
2.264
0.201
1.291
0.255
6.492
7.684
8.150
8.386
8.801
9.876
9.346
11.135
8.295
8.568
7.645
8.088
8.551
6.323
5.404
5.750
5.840
3.961
12.141
11.827
12.472
7.221
6.634
6.405
6.365
5.301
4.186
5.275
6.136
5.774
4.620
4.719
5.512
6.270
6.199
3.489
2.336
2.648
2.141
1.313
-0.087
-1.344
-0.840
3.509
3.874
4.753
4.889
4.508
3.531
2.832
3.306
1.956
2.442
1.777
0.983
5.337
6.105
5.153
5.253
6.973
8.335
8.538
9.453
9.832
10.746
10.934
4.098
3.002
2.301
2.028
2.093
2.863
3.405
3.098
4.190
3.903
4.445
2.038
1.584
2.500
2.015
1.305
0.295
-1.158
0.377
3.836
4.759
4.631
4.677
6.199
4.449
4.160
2.931
2.985
4.097
-20.506
-18.951
-20.107
-20.505
-21.206
-20.281
-19.053
-21.911
-21.034
-22.477
-20.678
-19.746
-18.888
-17.647
-20.617
-21.914
-22.030
-19.422
-18.661
-17.528
-16.396
-19.648
-19.020
-20.251
-20.561
-17.699
-16.658
-15.628
-14.532
-17.275
-17.956
-19.094
-17.497
-19.773
-18.188
-19.337
-20.074
-15.794
-14.792
-13.807
-12.581
-15.502
-14.942
-13.626
-15.729
-13.094
-15.199
-13.877
-14.278
-13.482
-12.809
-11.585
-14.372
-15.023
-14.263
-16.407
-14.871
-17.012
-16.245
-13.472
-12.807
-11.724
-10.593
-13.844
-13.353
-13.342
-14.243
-11.900
-10.829
-9.667
-8.495
-11.381
-9.850
-8.780
-8.011
-6.759
-9.327
S137
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
N
N1+
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG
OD1
ND2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
ASN
ASN
ASN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
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
69
69
69
69
69
70
70
70
70
70
70
70
70
71
71
71
71
71
72
72
72
72
72
72
73
73
73
73
73
73
73
73
73
73
73
74
74
74
74
74
74
74
75
75
75
75
75
75
76
76
76
76
3.256
2.587
3.300
6.021
6.562
7.804
7.902
6.816
5.653
4.322
6.055
8.797
9.960
9.647
10.250
10.851
11.460
8.734
8.290
7.733
8.100
7.274
7.926
6.847
8.713
6.870
6.461
7.616
7.744
5.440
8.569
9.790
10.541
10.954
10.664
10.105
8.992
10.757
10.751
11.323
10.621
11.282
11.395
9.278
8.543
8.884
9.241
7.022
6.574
8.900
9.399
10.765
10.978
9.346
10.487
10.541
11.570
11.664
12.695
12.745
11.767
13.139
13.358
14.204
14.068
14.460
15.366
12.658
12.762
11.937
12.437
12.471
11.172
10.689
9.892
9.615
9.791
5.382 -9.310
5.719 -8.312
6.234 -10.336
1.775 -8.657
0.607 -8.005
0.924 -7.244
0.583 -6.040
-0.508 -9.057
-1.521 -9.239
-0.855 -9.653
-2.585 -10.285
1.639 -7.818
2.111 -7.116
2.876 -5.882
2.595 -4.823
2.971 -8.041
2.168 -9.045
3.869 -5.869
4.535 -4.673
3.615 -3.645
3.741 -2.451
5.647 -5.036
6.875 -5.726
7.733 -6.420
7.748 -4.721
2.627 -3.968
1.616 -3.029
0.870 -2.446
0.796 -1.196
0.684 -3.713
0.346 -3.252
-0.255 -2.781
0.661 -1.860
0.265 -0.743
-0.707 -3.989
-1.734 -4.892
-2.261 -4.691
-2.120 -5.894
1.958 -2.175
2.937 -1.295
3.075
0.012
3.063
1.078
4.293 -2.023
3.199
0.086
3.192
1.326
2.021
2.174
2.205
3.366
3.241
1.066
4.696
0.100
0.782
1.629
-0.379
2.313
-0.166
2.868
-0.390
4.087
-1.623
1.375
-2.554
1.562
-3.417
2.667
-2.546
0.666
-4.230
2.866
-3.352
0.877
-4.196
1.984
0.189
2.032
0.300
2.434
1.324
3.486
1.122
4.387
0.446
1.189
1.893
0.813
-0.365
1.379
2.476
3.461
3.518
4.435
3.357
5.657
3.778
6.725
4.869
3.752
4.904
3.166
2.832
5.683
2.725
6.882
1.340
7.316
1.053
8.525
S138
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
O
O1N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
OG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
THR
THR
THR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
76
76
76
77
77
77
77
77
77
77
78
78
78
78
78
78
78
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
81
82
82
82
82
82
82
82
82
83
83
83
83
83
84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86
86
86
86
86
8.557
7.819
8.767
9.166
8.821
9.998
9.986
8.105
7.071
7.440
11.084
12.177
12.904
13.126
13.124
14.055
13.973
13.316
14.037
13.347
13.943
14.300
14.163
13.075
12.065
11.288
11.099
11.311
9.936
9.995
10.471
9.638
9.926
10.744
10.635
11.906
11.886
10.057
9.462
8.043
8.459
13.095
14.379
14.483
14.825
15.502
16.721
17.818
17.322
14.172
14.144
13.300
13.813
13.663
12.024
11.157
11.786
11.914
9.796
8.978
9.458
7.695
12.288
12.936
14.155
14.321
13.137
13.382
14.266
13.096
15.063
16.192
15.811
16.378
17.079
17.728
18.791
3.502
3.215
5.020
0.396
-0.937
-1.695
-2.142
-1.681
-0.858
-2.998
-1.899
-2.736
-2.251
-3.128
-3.186
-2.104
-4.424
-0.980
-0.647
-1.003
-1.605
0.870
1.146
0.157
-0.726
-1.122
-2.587
-3.150
-0.366
1.016
1.019
0.176
-1.264
-3.312
-4.736
-5.426
-6.425
-5.199
-6.612
-6.649
-8.249
-4.941
-5.389
-5.378
-6.421
-4.519
-5.311
-4.330
-6.280
-4.266
-4.230
-5.306
-6.102
-2.848
-5.458
-6.513
-7.849
-8.553
-6.428
-5.315
-4.168
-5.476
-8.302
-9.585
-9.708
-10.766
-10.059
-11.596
-9.292
-12.219
-8.714
-8.786
-8.965
-9.873
-7.523
-7.391
-8.361
6.761
5.574
6.890
6.466
6.875
7.372
8.547
5.716
5.184
6.149
6.586
7.007
8.209
9.074
5.856
5.280
6.234
8.481
9.682
10.910
11.797
9.570
8.072
7.654
11.046
12.176
12.249
13.352
12.180
12.873
14.349
15.341
15.321
11.166
11.209
11.577
12.338
9.851
9.950
11.063
11.781
11.151
11.599
13.081
13.687
10.965
10.423
9.956
11.459
13.787
15.220
15.792
16.615
15.700
15.374
15.818
15.673
16.702
15.082
15.578
15.710
15.909
14.501
14.407
15.246
15.898
12.938
12.874
12.218
11.494
15.358
16.240
17.659
18.309
16.102
14.708
14.446
S139
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N1+
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
OE1
NE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
GLN
GLN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
SER
SER
SER
SER
SER
SER
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
CYS
CYS
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
86
86
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
88
89
89
89
89
89
89
90
90
90
90
90
90
90
90
90
91
91
91
91
91
92
92
92
92
92
92
92
92
93
93
93
93
93
93
94
94
94
94
94
94
94
94
94
94
94
94
95
95
95
95
95
95
96
96
96
96
97
97
19.929
18.581
14.905
14.639
13.495
13.384
14.575
13.257
15.812
13.040
12.581
11.531
10.469
9.706
12.089
13.073
12.407
11.597
12.636
10.330
9.474
9.561
10.101
9.901
9.399
9.073
9.169
9.579
8.836
7.847
8.074
8.702
9.873
8.026
10.829
11.440
11.576
12.012
12.800
11.173
10.996
9.554
9.068
11.630
13.011
11.777
13.687
8.762
7.663
6.372
6.286
8.057
9.248
5.274
3.928
3.787
3.333
3.030
3.421
2.836
4.366
3.203
4.733
4.155
4.515
4.219
4.201
4.848
4.223
4.877
6.136
6.081
6.760
5.986
5.853
5.410
4.526
-8.221
-9.407
-8.157
-8.200
-9.064
-9.324
-6.758
-6.025
-5.924
-4.724
-9.567
-10.504
-9.900
-10.613
-11.838
-12.571
-13.201
-14.136
-12.826
-8.560
-7.735
-6.348
-6.129
-7.799
-8.985
-5.300
-3.950
-3.027
-2.158
-3.619
-3.306
-1.999
-1.897
-0.888
-3.054
-2.058
-0.742
0.229
-2.598
-0.560
0.723
1.086
1.982
0.805
0.095
2.284
0.131
0.530
1.166
1.196
0.976
2.577
2.496
1.476
1.547
2.368
1.848
2.016
3.295
4.508
3.316
5.716
4.524
5.725
6.887
3.645
4.523
3.936
3.893
5.845
5.603
3.397
2.675
1.534
1.422
0.653
-0.406
14.938
13.645
18.253
19.663
20.064
21.283
20.254
19.896
19.829
20.683
19.197
19.513
20.359
21.051
20.089
19.142
17.992
18.156
16.732
20.345
21.148
20.637
19.527
22.638
23.236
21.334
20.876
21.924
22.355
20.137
18.638
18.437
18.014
18.734
22.342
23.169
22.491
23.150
23.654
21.210
20.591
20.668
19.942
19.160
19.102
18.702
17.713
21.608
22.268
21.545
20.314
22.785
23.563
22.278
21.807
20.579
19.534
22.985
23.635
23.231
24.679
23.837
25.286
24.863
25.452
20.558
19.423
18.224
17.136
19.851
20.481
18.332
17.302
16.776
15.534
17.626
17.213
S140
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
N
N1+
C
C
O
C
O
N
C
C
O
C
C
C
O
N
N
C
C
O
C
N
C
C
O
C
C
C
C
N1+
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
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
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
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
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
MET
MET
MET
MET
MET
MET
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
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
101
101
101
101
101
101
101
101
102
102
102
102
102
102
102
102
102
102
102
102
103
103
103
103
103
103
103
103
103
103
103
104
104
104
104
104
104
104
104
104
104
104
105
105
105
105
105
105
3.431
3.245
3.878
5.060
2.653
1.579
2.066
1.551
0.784
0.558
-0.409
0.043
3.108
3.684
4.081
3.681
4.873
4.439
5.618
3.914
4.813
5.124
3.928
3.913
5.883
6.300
6.942
7.983
6.429
2.867
1.640
1.074
0.773
0.661
-0.783
-0.828
-1.651
0.939
0.481
1.252
0.657
0.581
-0.006
-0.847
0.312
-1.336
-0.163
-0.997
-1.471
2.603
3.455
3.288
3.112
4.940
5.251
4.630
6.225
4.956
6.566
5.927
3.299
3.079
1.832
1.880
3.072
3.006
4.074
1.879
4.014
1.823
2.890
0.662
-0.574
-0.545
-0.947
-1.723
-1.940
0.090
-0.423
-1.140
-1.664
1.108
1.659
2.152
1.721
2.770
2.637
3.734
1.252
3.011
3.489
2.395
2.416
4.421
5.801
6.481
6.744
1.347
0.187
-0.454
-0.669
-0.786
-2.119
-2.980
-2.600
-4.151
-0.786
-1.319
-0.467
-0.987
-1.522
-1.952
-3.299
-2.044
0.866
1.785
1.633
1.397
3.257
3.640
2.809
4.910
3.230
5.327
4.491
4.905
1.721
1.572
0.276
0.271
1.779
3.032
4.256
3.012
5.423
4.181
5.387
-0.885
-2.172
-2.215
-2.574
-3.252
-4.632
-5.155
-5.442
-6.453
-6.745
-7.253
-1.822
-1.796
-0.860
-1.270
-1.502
-2.621
16.342
15.209
18.412
19.667
16.777
16.000
14.683
13.622
16.741
18.271
18.768
18.721
14.621
13.394
12.464
11.274
13.747
14.318
15.048
13.211
12.901
12.115
11.509
10.271
13.042
12.374
13.369
13.938
13.739
12.280
11.756
10.676
9.570
12.943
12.565
11.810
13.839
10.872
9.864
8.596
7.513
10.356
11.664
12.428
12.176
13.672
13.425
14.172
15.366
8.630
7.483
6.775
5.528
7.879
8.610
8.300
9.626
9.002
10.315
10.008
7.470
6.874
6.067
4.864
7.988
7.452
6.703
7.682
6.183
7.170
6.421
6.615
5.889
4.728
3.608
6.887
7.929
S141
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
105
105
106
106
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
109
109
109
109
109
109
109
109
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
113
113
113
113
113
113
113
113
113
113
113
114
114
114
114
114
114
114
114
-2.647
-2.577
-0.047
0.115
0.796
0.259
0.837
-0.101
0.729
-0.930
1.965
2.667
1.837
1.680
3.955
4.748
5.325
4.921
6.037
5.638
6.189
1.244
0.437
-0.685
-0.912
-0.059
-0.959
1.125
-1.434
-2.448
-1.935
-2.486
-3.253
-4.148
-5.014
-6.039
-0.894
-0.352
0.011
-0.382
0.862
1.420
0.391
2.682
0.682
0.922
-0.327
-0.441
1.584
1.868
2.149
2.339
2.220
-1.354
-2.536
-3.189
-3.567
-3.488
-3.308
-3.813
-2.978
-3.537
-4.063
-5.153
-6.430
-4.935
-7.451
-5.964
-7.220
-1.635
-0.807
-0.916
-0.995
0.669
0.963
2.432
0.684
-4.092
7.149
-5.150
8.608
0.397
4.847
1.314
3.746
0.734
2.561
0.857
1.427
2.599
4.236
3.657
4.883
4.682
5.683
4.419
3.825
0.073
2.715
-0.577
1.645
-1.571
0.906
-1.433 -0.335
-1.208
2.237
-1.975
1.249
-1.337
0.136
-3.362
1.403
-2.079 -0.816
-4.101
0.454
-3.460 -0.661
-2.592
1.566
-3.605
0.936
-3.005
0.165
-3.381 -1.014
-4.635
1.998
-5.733
1.376
-5.331
2.713
-2.016
0.703
-1.347 -0.056
-0.634 -1.246
-0.840 -2.359
-0.370
0.829
-1.061
1.872
-2.524
1.270
-1.871 -0.052
0.225 -1.146
0.912 -2.279
-0.023 -3.364
0.232 -4.529
1.767 -1.852
2.687 -2.971
3.733 -3.462
3.404 -2.458
-1.162 -3.078
-2.187 -4.045
-2.572 -4.756
-2.317 -5.981
-3.397 -3.339
-4.568 -4.313
-5.857 -3.683
-5.994 -2.457
-6.861 -4.420
-3.163 -4.107
-3.619 -4.780
-2.572 -5.615
-2.839 -6.786
-4.224 -3.735
-1.310 -5.150
-0.231 -5.948
0.103 -7.137
0.229 -8.257
1.000 -5.044
0.795 -4.058
0.354 -4.457
1.062 -2.696
0.154 -3.521
0.884 -1.763
0.422 -2.169
0.238 -7.069
0.426 -8.230
-0.681 -9.213
-0.427 -10.440
0.620 -7.811
1.977 -7.121
1.995 -6.653
3.181 -8.051
S142
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
S
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O1N
C
C
O
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ALA
ALA
ALA
ALA
ALA
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
115
115
115
115
115
115
115
115
116
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
119
120
120
120
120
120
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
123
123
123
123
123
123
123
123
123
123
123
123
124
124
124
124
124
124
-0.970
-1.232
-2.515
-2.531
-1.219
0.180
1.289
0.029
-3.650
-4.879
-4.730
-5.144
-5.916
-4.101
-3.787
-3.082
-3.549
-3.003
-2.130
-3.984
-1.968
-1.260
-2.145
-2.113
-0.080
1.016
2.390
3.265
-3.029
-4.040
-4.875
-4.972
-4.968
-5.541
-6.401
-5.683
-6.184
-7.154
-7.836
-8.595
-7.744
-9.213
-8.378
-9.105
-9.699
-4.464
-3.591
-3.377
-3.644
-2.282
-1.133
-1.122
-0.130
-2.932
-2.789
-4.045
-4.010
-2.294
-0.708
-5.213
-6.480
-6.781
-7.050
-7.592
-8.826
-9.715
-9.131
-10.868
-10.281
-11.150
-12.258
-6.726
-6.910
-5.949
-6.402
-6.848
-6.637
-1.959
-3.080
-2.924
-3.055
-4.346
-4.929
-3.937
-6.008
-2.585
-2.237
-1.150
-1.328
-1.872
0.006
1.038
0.501
0.742
2.192
3.047
3.122
-0.252
-0.856
-1.674
-1.503
-1.664
-1.974
-2.864
-1.477
-2.544
-3.239
-2.350
-2.550
-4.007
-1.332
-0.429
0.345
0.441
0.495
-0.208
-1.376
0.307
-2.032
-0.337
-1.512
-2.136
0.866
1.449
0.545
0.964
1.822
2.014
2.903
1.268
-0.721
-1.662
-1.838
-1.725
-3.031
-2.904
-2.086
-2.194
-1.008
-1.186
-2.469
-3.029
-2.220
-4.393
-2.767
-4.943
-4.130
-4.664
0.245
1.439
1.504
1.678
2.697
4.024
-8.789
-9.643
-10.389
-11.640
-8.752
-8.419
-8.000
-7.341
-9.736
-10.396
-11.407
-12.580
-9.316
-11.091
-12.049
-13.240
-14.379
-11.350
-12.302
-10.603
-13.104
-14.195
-15.073
-16.319
-13.603
-14.645
-13.884
-13.138
-14.531
-15.283
-16.132
-17.370
-14.314
-15.545
-16.254
-17.297
-18.445
-15.264
-14.151
-14.359
-12.846
-13.286
-11.775
-11.992
-10.953
-17.036
-18.010
-19.171
-20.324
-17.269
-18.151
-19.029
-18.077
-18.997
-20.074
-20.848
-22.099
-19.556
-18.709
-20.212
-20.879
-21.723
-22.935
-19.833
-20.435
-21.166
-20.281
-21.746
-20.861
-21.596
-22.153
-21.216
-21.996
-23.124
-24.280
-21.076
-21.848
S143
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
O1N
C
C
O
C
S
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
VAL
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
124
125
125
125
125
125
126
126
126
126
126
126
126
126
127
127
127
127
127
127
128
128
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
131
131
131
131
131
131
131
131
131
131
132
132
132
132
132
132
132
132
132
132
132
132
133
133
133
133
133
133
133
133
134
134
-8.147
-4.620
-3.653
-3.974
-3.930
-2.265
-4.328
-4.770
-6.058
-6.105
-4.782
-3.334
-5.652
-2.597
-7.177
-8.440
-8.576
-9.376
-9.612
-9.962
-7.963
-8.168
-6.940
-6.772
-8.997
-10.440
-11.037
-11.451
-12.364
-12.628
-6.106
-5.313
-6.176
-5.920
-4.204
-4.899
-6.020
-7.303
-8.430
-8.832
-8.486
-9.548
-10.871
-10.678
-11.936
-9.501
-9.858
-8.673
-8.728
-11.049
-12.212
-12.765
-12.959
-13.803
-13.929
-7.505
-6.207
-5.876
-4.836
-5.167
-3.960
-4.079
-2.698
-2.992
-1.594
-1.750
-0.737
-6.769
-6.637
-6.672
-6.084
-7.746
-7.755
-7.592
-8.693
-7.298
-7.386
2.819
1.350
1.370
0.427
0.834
1.059
-0.846
-1.792
-1.412
-1.404
-3.211
-3.743
-4.258
-4.193
-1.120
-0.866
0.450
0.523
-1.117
0.270
1.574
2.872
3.566
4.762
3.732
3.459
2.424
4.254
2.574
3.705
3.076
3.942
4.510
4.426
2.997
1.633
1.703
5.051
5.431
6.816
7.733
4.388
4.593
4.412
3.600
7.104
8.423
9.105
9.816
8.293
7.599
6.450
8.014
6.163
7.114
8.929
9.270
10.685
11.072
8.218
8.261
8.002
8.599
8.194
8.744
8.576
8.798
11.533
12.930
13.122
14.114
13.709
13.398
15.240
12.238
12.233
12.373
-20.246
-22.933
-23.988
-25.087
-26.270
-23.396
-24.810
-25.794
-26.428
-27.681
-25.141
-24.933
-25.884
-26.215
-25.727
-26.358
-27.025
-27.988
-25.380
-24.275
-26.581
-27.156
-27.635
-27.294
-26.155
-26.199
-26.799
-25.676
-26.690
-26.011
-28.596
-29.428
-30.465
-31.656
-29.927
-30.020
-28.972
-30.050
-30.845
-30.528
-31.309
-30.573
-31.358
-32.880
-30.846
-29.386
-28.937
-28.351
-27.312
-27.949
-28.534
-28.113
-29.632
-28.910
-29.848
-29.005
-28.524
-28.788
-29.365
-28.991
-28.134
-26.758
-28.653
-25.905
-27.798
-26.417
-25.553
-28.261
-28.056
-26.580
-26.093
-28.835
-30.363
-28.652
-30.756
-25.764
-24.335
S144
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
N
C
C
N
N1+
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
134
134
134
134
134
134
135
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
138
138
138
138
138
138
138
139
139
139
139
140
140
140
140
140
140
140
140
141
141
141
141
141
141
142
142
142
142
142
142
142
142
143
143
143
143
143
143
143
143
143
143
143
144
144
144
144
144
-6.738
-5.849
-8.881
-9.698
-9.009
-10.104
-7.200
-7.157
-5.883
-5.988
-8.137
-7.680
-9.596
-7.783
-4.641
-3.463
-2.334
-1.519
-3.111
-1.945
-1.474
-0.796
-2.187
-1.139
-0.421
-0.923
-1.777
-2.528
0.746
1.384
0.544
0.560
2.658
2.900
1.484
-0.270
-1.181
-2.104
-2.263
-2.735
-3.558
-2.769
-3.215
-4.314
-5.180
-5.814
-6.286
-1.553
-0.688
-0.508
-0.797
0.678
0.506
-0.123
-0.043
-1.322
-1.305
0.409
1.815
0.425
2.191
-2.501
-3.776
-3.991
-4.373
-4.883
-6.227
-6.505
-7.250
-7.781
-8.526
-8.793
-3.738
-3.794
-2.898
-3.335
-3.473
11.281
11.563
12.464
13.741
15.048
13.825
10.014
9.058
8.532
7.923
7.880
6.932
8.368
7.507
8.640
8.146
9.102
9.024
6.701
6.078
4.416
4.839
10.049
11.026
11.073
10.492
12.398
12.893
11.758
11.890
12.498
11.999
12.715
12.539
12.397
13.545
14.112
13.122
13.047
12.260
11.187
10.185
9.786
10.570
11.596
10.917
12.240
9.764
8.957
9.534
8.840
8.709
8.001
10.819
11.489
11.384
10.954
12.975
13.059
13.736
14.466
11.717
11.530
10.142
9.966
11.969
12.056
13.026
11.178
13.115
11.269
12.237
9.069
7.700
7.422
6.789
6.745
-23.552
-22.718
-23.902
-24.249
-23.802
-25.734
-23.615
-22.538
-21.967
-20.877
-22.846
-23.991
-23.036
-25.414
-22.496
-21.821
-21.931
-22.883
-22.278
-21.469
-22.010
-23.630
-20.978
-20.930
-19.619
-18.622
-21.256
-20.146
-19.432
-18.147
-17.086
-15.939
-18.415
-19.915
-20.478
-17.346
-16.391
-15.799
-14.557
-16.619
-16.165
-15.412
-14.314
-17.364
-18.149
-19.377
-17.283
-15.831
-15.009
-13.644
-12.642
-15.692
-17.346
-13.471
-12.193
-11.433
-10.253
-12.370
-13.029
-11.017
-13.538
-12.003
-11.364
-10.860
-9.679
-12.355
-11.742
-10.763
-12.141
-10.192
-11.572
-10.597
-11.642
-11.199
-10.040
-9.047
-12.380
S145
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N1+
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
OG
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
SD
CE
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
144
144
144
145
145
145
145
145
145
145
146
146
146
146
146
146
147
147
147
147
147
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
151
151
151
151
151
151
151
151
152
152
152
152
152
152
152
152
153
153
153
153
153
154
154
154
154
154
154
154
-4.440
-3.905
-5.879
-1.625
-0.756
-1.379
-1.502
0.631
1.618
1.289
-1.851
-2.538
-3.709
-3.823
-2.960
-1.821
-4.616
-5.682
-5.206
-5.736
-6.453
-4.182
-3.584
-3.193
-3.623
-2.367
-2.694
-2.423
-2.105
-3.313
-3.414
-1.160
0.113
0.254
1.407
1.560
2.278
1.902
3.664
3.292
4.165
-4.328
-5.563
-6.207
-6.546
-6.507
-5.942
-7.968
-6.652
-6.413
-6.963
-6.167
-6.766
-7.122
-8.153
-8.562
-7.043
-4.815
-3.986
-4.222
-4.601
-2.509
-1.461
-1.487
-0.391
-4.148
-4.462
-5.794
-5.890
-4.355
-6.886
-8.193
-8.218
-8.632
-9.176
-10.661
-11.257
6.836
5.988
6.397
7.877
7.798
8.423
7.762
8.434
8.356
7.737
9.687
10.332
9.560
9.322
11.759
12.546
9.064
8.176
6.980
6.693
7.777
6.234
5.132
5.468
4.768
4.588
4.349
6.552
7.018
7.335
6.867
8.240
7.931
7.476
8.070
7.342
7.708
8.497
7.772
8.565
8.215
8.086
8.310
7.032
6.866
9.229
10.678
9.221
11.629
6.046
4.766
4.062
3.570
3.912
4.475
3.283
3.403
3.981
3.437
4.108
3.409
3.305
4.109
5.353
3.566
5.451
6.172
5.818
5.447
7.683
5.843
5.442
4.073
3.926
5.576
5.269
6.294
-13.593
-14.769
-13.246
-10.024
-8.875
-7.675
-6.614
-9.196
-8.006
-10.401
-7.734
-6.648
-6.161
-4.934
-7.058
-7.398
-7.032
-6.671
-5.929
-4.832
-7.945
-6.399
-5.693
-4.301
-3.352
-6.471
-7.837
-4.057
-2.733
-1.922
-0.764
-2.818
-3.500
-4.809
-3.005
-5.099
-4.029
-1.766
-3.866
-1.588
-2.632
-2.406
-1.691
-1.284
-0.086
-2.528
-2.546
-2.000
-3.530
-2.181
-1.844
-0.801
0.190
-3.124
-4.128
-5.427
-6.394
-0.881
0.162
1.466
2.440
-0.319
0.325
0.310
0.914
1.584
2.783
3.338
4.535
2.493
2.541
2.965
3.539
4.713
1.773
2.117
3.108
S146
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
O
N
N
C
C
O
C
N
C
C
O
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
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
1121
1122
1123
1124
CD2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ASN
ASN
ASN
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
154
155
155
155
155
155
155
155
155
155
155
156
156
156
156
156
156
157
157
157
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
160
160
160
161
161
161
161
161
161
161
161
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163
163
164
164
164
-11.508
-7.809
-7.893
-6.952
-7.333
-7.770
-9.082
-9.649
-9.985
-10.858
-11.072
-5.714
-4.773
-4.290
-3.702
-3.576
-2.974
-4.471
-4.026
-5.183
-5.117
-3.396
-2.859
-1.665
-2.453
-6.320
-7.495
-7.973
-8.143
-8.614
-8.615
-8.935
-7.305
-8.186
-8.606
-7.740
-8.240
-8.748
-9.826
-9.678
-11.181
-10.875
-11.806
-6.437
-5.565
-5.681
-5.997
-4.089
-3.607
-3.858
-5.568
-5.773
-7.147
-7.371
-5.420
-3.941
-3.790
-2.952
-8.138
-9.436
-9.630
-10.697
-10.509
-10.699
-11.453
-11.476
-8.704
-8.791
-9.857
-9.589
-8.850
-8.720
-8.513
-10.190
-11.103
-12.287
-12.835
5.234
2.995
1.665
1.398
0.598
0.581
0.204
-1.015
1.053
-0.919
0.343
1.933
1.550
2.570
2.140
0.901
1.760
3.902
4.846
5.226
5.144
6.056
7.190
6.736
8.402
5.622
6.020
4.977
5.302
6.450
7.953
8.867
8.396
3.699
2.662
2.524
2.633
1.312
1.355
1.175
1.588
1.307
1.561
2.350
2.275
3.495
3.354
2.033
3.120
0.727
4.739
5.932
6.079
7.058
7.186
7.326
8.614
7.380
5.183
5.254
4.163
4.195
5.189
6.509
6.230
7.564
3.186
2.083
1.080
-0.145
2.619
1.513
2.194
2.816
1.513
0.773
-0.037
0.827
2.833
3.370
4.483
5.368
2.267
1.710
1.725
1.079
1.152
0.747
4.565
5.582
6.535
7.554
4.877
3.919
6.410
7.391
8.223
9.474
6.656
7.566
8.436
6.700
7.611
8.322
9.254
10.449
7.339
6.950
8.156
6.263
8.868
9.766
10.923
12.033
9.023
8.024
6.708
8.239
6.120
7.052
10.819
11.956
12.790
13.996
11.562
10.786
10.784
12.256
13.028
13.583
14.332
12.182
11.731
10.894
12.914
13.363
13.954
14.939
15.598
12.830
12.037
10.718
12.857
15.146
16.074
15.788
15.822
17.529
18.599
20.261
20.506
15.510
15.168
16.282
S147
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N1+
C
C
O
C
C
S
C
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
O
CB
CG
OD1
ND2
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
CD2
CE1
CE2
CZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
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
OE1
OE2
N
CA
C
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
164
164
164
164
164
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
167
167
168
168
168
168
168
168
168
168
168
168
168
169
169
169
169
169
169
170
170
170
170
170
171
171
171
171
171
171
171
171
172
172
172
172
172
172
172
172
172
172
173
173
173
173
173
173
173
173
173
174
174
174
-14.048
-12.089
-11.926
-12.700
-10.951
-12.034
-12.478
-12.564
-11.913
-11.571
-11.706
-13.335
-13.513
-13.040
-13.052
-15.032
-15.503
-14.906
-17.046
-12.558
-12.193
-10.819
-9.890
-12.400
-13.779
-10.598
-9.361
-9.523
-10.336
-8.791
-8.381
-7.227
-9.142
-6.845
-8.762
-7.614
-8.778
-8.772
-7.390
-6.430
-9.432
-9.623
-7.155
-5.868
-5.956
-5.011
-5.423
-7.088
-7.467
-8.198
-7.631
-8.233
-9.273
-9.005
-10.545
-9.399
-10.108
-11.534
-12.089
-10.004
-8.723
-8.150
-7.886
-7.017
-6.844
-12.251
-13.672
-14.198
-14.920
-14.121
-13.042
-12.156
-12.605
-10.950
-13.978
-14.578
-13.573
0.056
-0.085
0.725
0.594
1.627
-0.886
-1.802
-1.244
-0.231
-3.049
-3.832
-1.906
-1.600
-2.725
-2.608
-1.304
-0.654
0.755
-0.563
-3.867
-5.044
-4.951
-5.678
-6.296
-6.452
-4.045
-3.853
-3.983
-3.251
-2.464
-2.410
-3.088
-1.694
-3.057
-1.666
-2.346
-4.886
-5.089
-5.045
-5.320
-6.458
-6.796
-4.732
-4.752
-5.423
-5.328
-3.280
-6.074
-6.412
-7.704
-8.665
-5.177
-4.658
-4.172
-4.694
-7.914
-9.162
-8.981
-9.796
-9.963
-10.676
-11.487
-10.668
-11.970
-11.477
-8.002
-7.880
-6.961
-7.448
-7.473
-6.866
-5.872
-4.808
-6.144
-5.628
-4.667
-4.040
16.578
13.888
12.674
11.705
12.555
16.950
17.961
19.328
19.664
17.948
19.134
20.215
21.600
22.456
23.706
21.745
23.074
23.282
23.085
21.909
22.646
23.190
22.766
21.761
21.438
24.161
24.861
26.330
26.938
24.476
23.055
22.623
22.116
21.276
20.768
20.347
27.005
28.427
28.960
28.203
28.704
30.469
30.252
30.878
32.197
33.014
31.020
32.540
33.874
33.889
33.321
34.418
33.510
32.385
33.887
34.483
34.396
34.055
33.289
35.717
35.856
34.954
36.966
35.480
36.718
34.626
34.640
33.599
32.700
36.079
37.027
36.406
35.937
36.202
33.639
32.749
31.842
S148
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
O
O1N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
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
SG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
PRO
PRO
PRO
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
174
174
174
174
174
175
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
178
178
178
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
181
182
182
182
182
182
182
182
182
183
183
183
-12.541
-15.318
-16.432
-15.892
-17.580
-13.719
-14.862
-14.723
-14.569
-14.904
-13.422
-12.717
-14.762
-14.617
-15.639
-16.845
-13.118
-12.827
-12.361
-12.999
-12.246
-12.641
-15.298
-16.203
-15.703
-16.410
-16.331
-16.960
-18.307
-16.224
-18.901
-16.815
-18.155
-14.473
-13.771
-12.379
-12.148
-14.423
-14.542
-13.406
-15.792
-13.518
-15.904
-14.766
-11.374
-10.066
-9.091
-8.906
-9.556
-10.835
-8.375
-7.265
-5.991
-5.991
-7.460
-6.264
-5.711
-5.660
-4.828
-3.537
-3.246
-2.500
-2.450
-1.113
-2.233
-0.125
-3.756
-3.410
-3.686
-2.742
-4.045
-3.411
-2.562
-3.727
-4.840
-4.995
-4.136
-3.570
-3.596
-4.195
-2.417
-4.925
-3.855
-4.214
-5.533
-6.494
-3.033
-2.753
-3.182
-5.715
-6.966
-7.960
-7.619
-7.377
-8.744
-9.707
-9.312
-10.835
-10.602
-9.209
-10.203
-10.698
-10.594
-11.358
-10.939
-10.537
-10.948
-10.140
-10.549
-10.144
-11.245
-11.657
-11.918
-12.735
-12.870
-12.616
-12.638
-12.316
-12.352
-12.027
-12.042
-11.201
-11.098
-12.039
-12.094
-9.644
-8.447
-12.783
-13.627
-12.890
-11.659
-14.886
-15.725
-16.229
-15.781
-13.568
-13.025
-12.981
-12.067
-13.783
-12.989
-15.237
-13.470
-13.857
-13.827
-12.507
-12.006
-15.002
-16.289
-16.792
-16.960
-11.789
-10.455
-9.429
32.374
33.615
34.524
32.786
33.793
30.496
29.705
29.101
29.837
28.713
28.431
29.727
27.792
27.104
27.544
27.524
27.188
26.738
27.541
25.482
26.827
25.566
27.925
28.420
29.719
30.747
27.392
26.121
26.086
24.924
24.882
23.719
23.697
29.767
30.939
30.512
29.590
31.659
33.112
33.941
33.680
35.307
35.046
35.860
31.043
30.477
31.070
32.309
30.579
30.140
30.205
30.504
30.265
30.036
29.610
29.488
30.487
28.397
30.265
29.982
28.526
28.103
30.803
30.829
30.310
31.909
27.627
26.230
25.590
24.927
25.443
25.759
24.995
26.865
25.732
25.217
25.794
S149
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
O
O1N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
N
N
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
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
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
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
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
183
183
183
183
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
187
187
187
187
187
187
187
187
188
188
188
188
188
188
189
189
189
189
189
189
190
190
190
190
190
190
190
191
191
191
191
191
191
191
191
192
192
192
192
192
192
192
193
193
193
193
193
193
193
193
193
-4.138
-6.483
-7.147
-6.008
-3.347
-2.454
-1.101
-0.373
-2.503
-3.646
-5.056
-3.559
-0.693
0.514
0.594
1.583
0.567
1.862
3.115
1.708
-0.409
-0.411
-0.111
0.723
-1.785
-2.161
-0.716
-0.552
0.814
1.050
-1.639
-2.128
-3.024
-2.911
1.825
3.209
3.791
4.896
3.970
5.344
3.052
3.257
3.608
4.630
4.263
3.650
2.826
3.022
2.587
1.366
2.268
2.479
2.726
3.496
3.287
1.893
1.403
4.339
5.705
6.230
6.374
1.118
-0.232
-1.283
-2.448
-0.295
0.488
1.561
-1.026
-1.963
-2.538
-1.834
-1.259
-2.196
-2.201
-3.087
-3.085
-8.323
-10.108
-11.445
-12.256
-9.654
-8.701
-9.017
-8.107
-8.807
-8.024
-8.405
-8.261
-10.304
-10.778
-10.402
-9.742
-12.311
-13.016
-12.540
-14.545
-10.683
-10.313
-8.875
-8.497
-10.634
-11.988
-7.993
-6.580
-6.118
-4.893
-5.983
-4.558
-4.571
-3.944
-6.956
-6.563
-6.433
-6.919
-7.560
-7.196
-5.730
-5.499
-6.719
-6.706
-4.342
-2.748
-7.825
-8.904
-8.458
-8.382
-10.181
-10.408
-11.441
-8.043
-7.363
-7.218
-6.066
-7.938
-7.548
-7.856
-6.854
-8.185
-7.953
-8.324
-8.201
-8.885
-10.115
-9.512
-8.833
-9.600
-8.788
-8.412
-10.896
-12.008
-13.150
-11.952
-14.206
25.272
25.455
25.786
26.407
26.828
27.418
26.916
26.459
28.966
29.663
29.163
31.188
26.897
26.300
24.867
24.471
26.523
26.039
26.809
26.196
24.004
22.613
22.410
21.546
21.982
22.215
23.233
23.213
23.568
23.430
24.148
23.770
22.510
24.951
23.926
23.998
22.628
22.285
24.904
24.969
21.750
20.358
19.587
18.860
20.150
20.739
19.599
18.670
17.324
17.068
19.127
20.515
18.371
16.418
15.176
14.641
14.729
14.192
14.552
15.646
13.764
14.069
13.626
14.569
14.214
12.399
12.869
13.789
15.757
16.519
17.613
18.579
17.005
17.284
16.464
18.371
16.718
S150
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O1N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1356
1357
1358
1359
1360
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
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
CE2
CZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG1
CG2
N
CA
PHE
PHE
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
193
193
194
194
194
194
194
194
194
195
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
200
200
200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
201
201
202
202
202
202
202
202
202
203
203
-3.977
-3.979
-3.839
-4.559
-5.764
-5.625
-4.878
-5.660
-3.608
-6.977
-8.175
-8.636
-8.342
-9.268
-9.700
-10.273
-9.536
-9.389
-9.873
-10.701
-10.518
-10.592
-11.806
-11.539
-10.420
-12.450
-11.590
-12.368
-11.499
-11.626
-13.287
-14.239
-15.025
-15.229
-10.548
-9.595
-8.835
-8.854
-8.675
-7.363
-9.442
-8.186
-7.436
-8.213
-7.741
-6.969
-5.898
-6.411
-5.626
-9.436
-10.231
-10.590
-10.319
-11.497
-12.348
-11.861
-13.649
-12.647
-14.439
-13.937
-11.193
-11.613
-10.483
-10.617
-12.294
-13.674
-12.466
-14.318
-9.307
-8.177
-7.656
-7.513
-7.061
-6.555
-7.555
-7.418
-7.033
-13.004
-14.131
-8.444
-7.703
-8.479
-9.485
-6.264
-6.268
-5.439
-8.149
-8.907
-9.500
-8.990
-8.075
-6.868
-6.924
-5.671
-10.612
-11.393
-10.616
-10.748
-12.620
-12.337
-11.643
-11.664
-10.965
-9.714
-8.831
-7.992
-8.076
-7.948
-8.713
-7.705
-9.633
-7.196
-6.439
-7.314
-7.012
-5.617
-5.115
-4.392
-8.419
-9.309
-9.662
-9.361
-10.551
-10.155
-11.692
-11.252
-10.237
-10.574
-9.396
-9.420
-11.351
-11.758
-12.647
-11.245
-12.992
-11.597
-12.466
-8.315
-7.166
-6.589
-6.386
-6.138
-6.685
-4.740
-5.879
-6.321
-5.786
-6.756
-6.339
-5.293
-6.365
-4.173
-8.068
-8.982
18.620
17.791
17.536
18.528
18.894
19.625
18.030
16.838
17.750
18.406
18.596
17.320
16.211
19.312
18.602
17.492
19.170
17.377
16.292
15.339
14.102
16.915
17.848
19.122
19.682
19.642
15.810
14.997
14.136
12.889
15.884
16.845
17.712
16.096
14.683
13.924
13.009
11.794
14.877
14.226
15.421
13.447
12.602
11.382
10.254
13.431
14.491
12.544
15.543
11.478
10.334
9.504
8.277
10.778
9.634
8.658
9.496
7.552
8.394
7.418
10.053
9.301
8.535
7.303
10.261
10.732
9.610
11.878
9.141
8.451
7.468
6.301
9.403
10.187
10.340
7.717
6.672
S151
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
N
C
C
O
C
O
C
N1+
C
C
O
C
C
O
N
N
C
C
O
C
C
C
O
O1N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
N
GLY
GLY
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
203
203
204
204
204
204
205
205
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
210
210
210
210
210
210
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
213
213
213
213
213
213
214
214
214
214
214
214
214
214
215
-7.918
-7.447
-9.256
-10.210
-10.087
-9.945
-10.170
-10.150
-8.826
-8.816
-10.789
-12.308
-12.777
-13.154
-7.659
-6.364
-5.674
-4.679
-5.427
-5.049
-6.048
-6.049
-5.477
-6.490
-6.462
-7.415
-8.217
-9.042
-8.958
-9.070
-9.505
-8.327
-10.640
-9.866
-10.722
-9.994
-10.349
-11.610
-12.848
-10.836
-14.003
-8.912
-8.109
-7.416
-7.455
-7.177
-6.067
-6.831
-6.293
-7.282
-6.981
-5.762
-5.558
-4.424
-8.503
-9.515
-9.830
-9.759
-10.803
-10.648
-11.968
-10.251
-10.138
-10.397
-9.308
-9.582
-10.635
-12.040
-8.025
-6.903
-6.862
-6.896
-5.604
-4.289
-3.680
-4.436
-6.854
-8.940
5.479
-8.824
4.317
-8.960
5.662
-8.792
4.609
-7.530
3.844
-7.585
2.595
-6.347
4.497
-5.058
3.864
-4.558
3.416
-3.638
2.558
-4.008
4.811
-4.181
5.079
-3.087
6.064
-4.101
3.786
-5.016
3.924
-4.615
3.466
-5.640
2.647
-5.272
1.981
-4.123
4.604
-5.194
5.461
-3.007
5.462
-6.935
2.552
-7.830
1.592
-8.468
0.740
-8.322 -0.507
-9.260
1.318
-10.180
0.567
-9.555 -0.499
-9.993 -1.674
-11.030
1.539
-12.400
0.950
-13.399
0.875
-13.008
1.800
-8.519 -0.224
-7.917 -1.211
-7.444 -2.424
-7.829 -3.568
-6.836 -0.523
-6.490 -1.399
-5.556 -0.113
-5.862 -0.593
-6.646 -2.292
-6.173 -3.377
-7.247 -4.077
-7.247 -5.304
-5.039 -2.891
-5.510 -1.550
-8.244 -3.431
-9.422 -4.062
-10.066 -4.967
-10.231 -6.178
-10.386 -2.953
-11.847 -3.418
-9.879 -2.367
-10.430 -4.511
-11.010 -5.350
-10.155 -6.524
-10.643 -7.682
-11.305 -4.535
-12.343 -3.390
-12.435 -2.592
-13.747 -3.895
-8.848 -6.352
-7.946 -7.439
-7.936 -8.450
-8.136 -9.663
-6.516 -6.903
-6.447 -5.773
-7.759 -8.052
-7.794 -8.939
-9.059 -9.710
-8.981 -10.962
-7.532 -8.129
-7.302 -8.930
-8.598 -9.511
-6.235 -10.037
-10.261 -9.086
S152
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
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
OD1
ND2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
215
215
215
215
215
215
215
216
216
216
216
216
216
216
216
217
217
217
217
217
217
218
218
218
218
218
218
218
218
218
218
218
218
219
219
219
219
219
219
219
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
222
222
222
222
222
222
223
223
223
223
223
223
224
224
224
224
224
-6.815
-7.848
-7.515
-6.918
-5.615
-7.210
-5.710
-9.140
-10.192
-9.913
-9.924
-11.563
-11.842
-12.728
-12.977
-9.599
-9.274
-8.114
-8.194
-9.060
-7.778
-6.994
-5.850
-6.208
-5.826
-4.852
-3.663
-3.730
-2.443
-2.614
-1.331
-1.413
-0.337
-6.964
-7.414
-8.167
-7.858
-8.246
-7.537
-8.520
-9.142
-9.811
-8.866
-8.908
-10.902
-11.879
-11.859
-12.852
-7.933
-6.918
-6.188
-6.056
-5.942
-4.605
-6.606
-5.685
-5.081
-5.975
-5.558
-4.575
-3.126
-2.641
-2.213
-1.264
-0.836
-0.362
-7.240
-8.172
-8.343
-8.415
-9.536
-10.412
-8.473
-8.512
-7.279
-7.405
-8.794
-11.535
-11.638
-11.967
-12.681
-12.752
-14.065
-13.684
-11.355
-11.411
-10.500
-10.953
-11.141
-12.190
-11.154
-11.789
-9.200
-8.286
-8.712
-8.705
-6.876
-6.707
-9.166
-9.722
-10.847
-10.848
-10.119
-10.865
-12.252
-10.206
-12.957
-10.905
-12.282
-12.955
-11.861
-12.960
-12.503
-12.936
-13.933
-14.258
-15.269
-11.572
-10.984
-10.339
-10.686
-10.002
-9.618
-10.081
-8.750
-9.447
-8.879
-9.918
-9.768
-7.975
-7.674
-6.626
-11.019
-12.096
-12.658
-12.745
-13.201
-13.051
-11.987
-13.952
-11.820
-13.792
-12.729
-13.030
-13.472
-12.497
-12.890
-13.818
-12.693
-11.177
-10.153
-10.155
-10.303
-8.768
-9.760
-10.825
-11.995
-8.701
-7.851
-9.342
-6.626
-10.546
-11.525
-12.674
-13.849
-10.831
-9.712
-11.856
-8.748
-12.468
-13.533
-14.364
-15.618
-12.943
-12.340
-13.761
-14.419
-15.319
-16.518
-13.297
-13.763
-13.977
-13.983
-14.444
-14.463
-14.694
-15.157
-14.848
-15.653
-16.851
-17.993
-14.777
-13.584
-15.492
-16.725
-17.852
-18.808
-20.014
-17.358
-18.391
-19.551
-18.111
-18.395
-19.252
-20.024
-21.262
-18.435
-19.163
-18.083
-19.425
-20.162
-21.206
-22.388
-19.199
-18.953
-18.173
-19.527
-17.985
-19.327
-18.551
-20.911
-21.914
-23.025
-24.215
-21.273
-21.216
-22.767
-23.775
-24.594
-25.829
-23.142
S153
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
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
1661
1662
1663
OG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
224
224
225
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
230
230
230
230
230
230
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233
234
234
234
234
234
234
234
234
234
235
235
-10.017
-8.943
-6.047
-4.821
-4.830
-4.568
-3.595
-3.294
-2.310
-2.662
-5.155
-5.259
-6.244
-5.880
-5.578
-4.497
-5.003
-3.142
-7.500
-8.450
-8.084
-8.692
-9.825
-10.478
-11.891
-11.970
-11.214
-7.154
-6.711
-5.222
-4.586
-7.384
-6.934
-7.232
-8.006
-4.527
-3.118
-2.245
-1.953
-2.755
-4.075
-5.134
-1.768
-0.809
0.365
0.308
-1.497
-0.574
1.515
2.719
2.995
2.227
3.794
3.984
4.106
4.385
3.890
2.918
2.928
1.645
1.427
0.674
5.262
5.880
5.032
5.335
3.988
3.235
2.732
2.716
2.090
2.573
2.457
1.087
0.966
2.379
1.918
-8.828
-7.637
-10.078
-10.175
-11.355
-11.181
-10.158
-8.723
-10.811
-7.758
-12.586
-13.726
-13.533
-13.783
-15.006
-15.403
-16.591
-15.769
-13.086
-12.836
-11.780
-11.775
-12.486
-13.669
-13.334
-12.129
-12.360
-10.830
-9.862
-9.907
-9.094
-8.470
-7.424
-7.910
-6.348
-10.841
-11.070
-9.911
-9.336
-12.110
-12.841
-11.763
-9.503
-8.468
-9.016
-10.118
-7.323
-6.421
-8.316
-8.697
-7.639
-7.526
-8.886
-6.742
-5.450
-5.405
-6.175
-4.563
-4.352
-4.639
-5.756
-3.728
-4.516
-4.470
-4.356
-5.028
-3.506
-3.171
-4.355
-4.356
-2.211
-0.947
0.376
1.063
2.233
-5.480
-6.671
-22.416
-24.178
-24.045
-24.794
-25.691
-26.903
-23.826
-23.304
-24.403
-24.333
-25.239
-26.105
-27.203
-28.375
-25.295
-24.252
-23.407
-24.900
-26.975
-28.027
-29.012
-30.107
-27.407
-26.655
-26.116
-25.156
-23.921
-28.773
-29.740
-29.780
-29.069
-29.502
-30.561
-28.065
-30.833
-30.498
-30.342
-30.365
-31.404
-31.422
-31.664
-31.407
-29.209
-28.999
-28.285
-27.690
-28.221
-27.612
-28.292
-27.629
-26.631
-25.650
-28.723
-26.840
-26.228
-24.792
-23.983
-26.702
-28.248
-28.902
-29.418
-28.975
-24.366
-23.073
-21.872
-20.861
-21.826
-20.648
-19.893
-18.637
-21.074
-21.846
-21.051
-21.239
-20.373
-20.551
-19.908
S154
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N1+
N1+
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
C
C
O
N
N1+
C
C
O
N
C
C
O
C
C
C
C
N1+
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
235
235
235
235
235
235
235
235
235
236
236
236
236
236
236
236
236
236
237
237
237
237
237
238
238
238
238
238
238
238
238
238
238
238
239
239
239
239
239
239
240
240
240
240
240
240
240
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
244
244
244
244
244
244
244
244
244
244
245
245
2.989
2.668
1.178
0.191
0.498
1.706
2.402
2.139
3.395
4.301
5.365
5.430
5.535
6.708
7.898
9.227
10.289
11.433
5.348
5.227
4.042
4.181
5.158
2.852
1.701
1.918
1.654
0.495
-0.817
-1.176
-1.741
-2.391
-2.986
-3.308
2.460
2.853
3.785
3.556
3.470
2.566
4.875
5.764
5.031
5.177
6.855
7.496
7.951
4.183
3.393
2.469
2.466
2.751
1.158
1.701
0.928
1.755
1.359
0.122
0.987
2.932
3.861
4.216
4.070
5.149
4.860
4.643
4.894
3.773
4.005
5.218
5.728
4.912
7.006
5.652
6.953
2.508
1.361
-7.442
-8.369
-7.504
-8.548
-9.976
-10.399
-11.473
-12.177
-11.850
-7.145
-7.720
-7.022
-7.697
-7.578
-8.219
-7.476
-7.829
-6.921
-5.676
-4.928
-5.399
-5.764
-3.427
-5.530
-6.106
-7.491
-7.737
-5.944
-6.251
-5.728
-7.059
-6.070
-7.350
-6.864
-8.484
-9.749
-9.637
-10.290
-10.663
-10.903
-8.838
-8.607
-8.156
-8.753
-7.564
-7.929
-7.414
-7.112
-6.627
-7.659
-7.880
-5.294
-5.436
-8.437
-9.548
-10.577
-11.076
-10.218
-10.955
-10.986
-11.860
-11.385
-12.175
-12.053
-12.443
-10.116
-9.553
-9.810
-10.443
-8.095
-7.400
-6.905
-7.133
-6.350
-6.461
-9.457
-9.740
-19.212
-18.428
-20.982
-20.393
-20.872
-20.255
-20.620
-21.712
-19.837
-19.369
-18.603
-17.301
-16.251
-19.363
-18.603
-18.870
-17.812
-17.948
-17.252
-16.042
-15.285
-14.094
-16.393
-15.913
-15.285
-14.768
-13.565
-16.241
-15.631
-14.377
-16.316
-13.781
-15.747
-14.475
-15.514
-14.946
-13.785
-12.742
-16.028
-17.106
-13.813
-12.700
-11.491
-10.396
-13.081
-14.303
-12.007
-11.587
-10.500
-9.945
-8.710
-10.950
-11.780
-10.746
-10.246
-9.557
-8.477
-11.379
-12.236
-10.091
-9.426
-8.064
-7.102
-10.259
-11.600
-7.859
-6.555
-5.607
-4.548
-6.689
-5.448
-4.513
-5.020
-3.540
-3.805
-5.929
-5.106
S155
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
1.00
1.00
1.00
1.00
1.00
1.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
C
C
C
N
C
N
N1+
N
C
C
O
C
C
C
C
N1+
N
C
C
O
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
O
C
N
C
C
O
C
S
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
O
C
C
N1+
C
C
N
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
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
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
THR
THR
THR
THR
THR
THR
THR
SER
SER
SER
SER
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
245
245
245
245
245
245
246
246
246
246
246
246
247
247
247
247
247
247
247
248
248
248
248
248
248
248
249
249
249
249
249
249
250
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
252
252
252
252
253
253
253
253
254
254
254
254
254
254
254
255
255
255
255
1.156
0.927
0.110
-1.187
-1.074
-2.384
1.212
1.110
2.078
1.671
1.310
0.477
3.382
4.379
4.054
4.039
5.798
6.895
6.149
3.721
3.255
2.193
2.334
2.765
1.847
3.957
1.099
0.055
0.582
0.457
-1.075
-0.870
1.268
1.788
2.620
2.398
2.566
3.104
1.975
3.962
3.580
4.425
3.764
4.471
5.594
6.629
6.591
7.728
7.628
8.772
8.724
2.472
1.863
0.581
0.157
1.692
1.323
2.226
0.057
1.854
-0.308
0.587
-0.137
-1.331
-1.243
-2.133
-0.212
-0.050
-0.041
-0.790
1.248
2.372
1.270
0.730
0.732
-0.591
-1.144
-11.181
-11.573
-9.132
-9.144
-8.219
-8.703
-12.081
-13.498
-13.996
-14.688
-14.227
-13.684
-13.650
-13.990
-13.412
-14.195
-13.596
-13.987
-14.286
-12.106
-11.530
-12.359
-12.740
-10.060
-9.526
-9.093
-12.709
-13.541
-14.832
-15.105
-13.716
-14.780
-15.664
-16.932
-16.824
-17.599
-17.580
-19.013
-20.033
-19.502
-15.880
-15.705
-15.203
-15.182
-14.774
-15.329
-16.627
-14.509
-17.095
-14.977
-16.274
-14.797
-14.322
-15.005
-15.065
-12.784
-12.158
-12.155
-11.571
-11.622
-11.019
-11.052
-15.583
-16.340
-17.356
-17.382
-18.225
-19.249
-18.733
-19.250
-20.062
-19.195
-20.782
-17.713
-17.121
-16.544
-16.924
-4.835
-3.667
-5.777
-4.924
-3.690
-5.793
-5.838
-5.646
-4.634
-3.667
-6.994
-8.019
-4.732
-3.756
-2.422
-1.441
-4.263
-3.246
-5.605
-2.261
-1.020
-0.407
0.778
-1.225
-0.095
-1.374
-1.120
-0.607
-0.106
1.114
-1.652
-2.582
-0.925
-0.506
0.716
1.675
-1.681
-1.399
-1.124
-2.586
0.804
1.944
3.182
4.218
1.516
0.603
0.057
0.286
-0.760
-0.521
-1.044
3.261
4.480
4.791
5.974
4.378
5.668
6.745
5.842
7.985
7.077
8.153
3.803
3.994
5.056
5.932
5.103
6.100
7.461
8.281
5.856
5.930
4.496
7.802
9.107
9.417
10.468
S156
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
O
C
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840
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
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
CYS
CYS
CYS
CYS
CYS
CYS
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
255
255
256
256
256
256
256
256
256
256
256
256
256
257
257
257
257
257
257
258
258
258
258
258
258
258
259
259
259
259
259
259
259
259
260
260
260
260
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
263
263
263
263
263
263
263
264
264
264
264
264
264
265
265
265
265
265
265
265
1.828
1.660
-1.245
-2.575
-3.551
-4.353
-3.030
-4.414
-5.489
-4.683
-6.807
-6.001
-7.064
-3.590
-4.415
-4.123
-5.060
-4.267
-4.755
-2.863
-2.509
-2.998
-3.684
-0.975
-0.402
-0.633
-2.796
-3.335
-4.825
-5.336
-2.780
-1.318
-0.545
-0.815
-5.652
-7.081
-7.562
-8.655
-7.817
-8.908
-8.629
-10.198
-9.613
-11.186
-10.893
-6.802
-6.984
-6.678
-7.471
-6.125
-4.745
-5.565
-5.189
-6.234
-6.342
-3.937
-2.868
-7.073
-8.137
-9.184
-10.045
-8.728
-8.331
-6.973
-9.186
-9.950
-9.002
-9.288
-10.688
-9.804
-7.843
-6.921
-5.450
-4.829
-7.419
-7.219
-8.891
-16.050
-15.008
-15.711
-15.239
-16.347
-16.265
-14.270
-13.785
-14.436
-12.698
-14.019
-12.268
-12.933
-17.445
-18.593
-19.218
-19.412
-19.647
-18.984
-19.548
-20.036
-19.110
-19.568
-20.304
-20.420
-21.604
-17.782
-16.796
-16.758
-16.033
-15.401
-15.230
-16.114
-14.156
-17.479
-17.518
-18.881
-19.020
-16.903
-16.032
-14.692
-16.534
-13.870
-15.711
-14.379
-19.969
-21.201
-21.006
-21.430
-22.344
-22.139
-20.353
-20.121
-19.624
-20.256
-19.224
-19.819
-18.567
-18.210
-19.243
-19.071
-16.908
-16.967
-17.674
-20.387
-21.533
-22.479
-22.931
-22.136
-22.835
-22.844
-23.825
-23.605
-24.449
-25.256
-25.437
-25.612
9.265
8.312
8.569
8.854
9.082
10.040
7.736
7.942
7.311
8.793
7.534
8.998
8.378
8.295
8.552
9.865
10.674
7.432
5.828
10.222
11.526
12.582
13.526
11.560
12.988
10.791
12.494
13.377
13.432
14.318
12.976
13.025
13.453
12.628
12.629
12.773
13.095
13.692
11.557
12.046
12.356
12.290
12.916
12.848
13.164
12.856
13.570
15.012
15.878
12.987
13.266
15.417
16.785
17.732
18.812
16.864
16.140
17.523
18.423
18.592
19.485
17.844
16.371
16.424
17.872
18.224
18.858
19.988
17.003
16.131
18.240
18.762
18.473
17.786
18.343
16.948
18.636
S157
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O1N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
1895
1896
1897
1898
1899
1900
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
1961
1962
1963
1964
1965
1966
1967
1968
1969
1970
1971
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
266
266
266
266
266
266
266
266
266
266
267
267
267
267
267
267
268
268
268
268
268
269
269
269
269
269
269
269
269
269
270
270
270
270
270
270
270
270
270
271
271
271
271
271
271
271
271
272
272
272
272
272
272
272
273
273
273
273
273
273
273
274
274
274
274
274
275
275
275
275
275
275
276
276
276
276
276
-4.770
-3.362
-2.188
-2.031
-2.980
-2.473
-2.984
-1.410
-2.316
-1.339
-1.231
0.076
1.003
0.781
-0.032
1.225
2.131
3.271
3.673
3.401
4.472
4.400
4.826
6.001
5.929
5.089
6.319
6.316
7.109
5.398
7.192
8.367
8.158
8.839
9.551
9.240
10.508
11.295
10.590
7.204
6.903
6.011
6.140
6.352
7.369
8.566
7.072
5.182
4.485
5.485
5.437
3.645
2.857
2.699
6.506
7.601
8.326
8.488
8.531
9.784
7.800
8.792
9.386
8.572
9.124
9.686
7.263
6.401
6.290
6.442
5.009
5.095
6.093
6.168
7.475
7.490
5.908
-22.539
-22.313
-22.220
-23.126
-23.158
-24.528
-25.422
-25.169
-26.576
-26.431
-21.239
-21.148
-20.072
-19.555
-21.067
-21.390
-19.705
-18.923
-17.687
-17.537
-19.898
-16.765
-15.477
-15.409
-14.687
-14.529
-14.856
-16.245
-17.074
-16.666
-15.996
-15.827
-16.071
-15.459
-16.668
-18.178
-19.028
-19.383
-20.386
-16.935
-17.257
-16.251
-15.995
-18.703
-19.692
-19.378
-20.891
-15.504
-14.331
-13.331
-12.846
-13.790
-14.814
-12.646
-13.022
-12.155
-12.633
-11.846
-12.019
-11.166
-11.396
-13.901
-14.453
-14.260
-13.752
-15.947
-14.589
-14.329
-12.894
-12.554
-14.935
-16.359
-11.930
-10.529
-10.227
-9.617
-9.615
18.977
19.336
18.385
17.536
20.589
20.365
19.520
20.995
19.628
20.538
18.515
17.858
18.365
19.483
16.318
15.711
17.688
18.157
17.454
16.273
18.117
18.074
17.571
16.656
15.636
18.782
19.677
20.135
19.640
21.009
16.922
16.093
14.638
13.778
16.629
16.782
17.029
15.749
14.942
14.242
12.885
12.262
11.043
12.875
13.267
13.456
13.439
13.023
12.588
12.139
10.983
13.780
14.379
13.409
12.970
12.640
11.429
10.463
13.882
13.603
15.095
11.344
10.158
8.928
7.925
10.378
8.878
7.759
7.408
6.209
8.020
8.047
8.337
8.010
7.356
6.258
9.245
S158
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
N1+
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N1+
C
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N1+
N
C
C
O
C
C
O
O1N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
MET
MET
MET
MET
MET
MET
MET
MET
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
276
276
277
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
280
280
280
280
280
280
280
281
281
281
281
281
281
281
282
282
282
282
282
282
282
283
283
283
283
283
283
283
284
284
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286
286
5.952
4.534
8.646
9.901
10.020
11.045
11.092
11.374
11.829
13.539
9.055
9.068
8.299
8.789
8.463
9.184
10.523
8.498
11.155
9.128
10.458
11.069
7.139
6.470
7.419
7.506
5.250
4.390
4.409
8.239
9.230
10.357
11.187
9.711
8.642
11.036
10.529
11.588
11.092
11.883
12.202
12.938
13.187
9.792
9.240
9.610
10.004
7.713
6.980
7.294
9.629
10.134
11.544
11.999
9.925
9.777
9.092
12.358
13.614
13.532
14.492
14.712
14.876
16.411
15.923
12.431
12.304
11.807
12.060
11.382
12.019
10.947
13.092
11.142
10.739
11.880
11.821
-8.119
8.855
-9.862
9.909
-10.671
7.868
-10.523
7.183
-11.238
5.882
-11.028
5.192
-10.888
8.107
-9.830
9.195
-8.207
8.537
-8.525
8.095
-12.029
5.365
-12.565
4.039
-11.635
3.189
-11.256
2.099
-13.989
4.014
-15.046
4.759
-14.926
5.177
-16.241
5.037
-15.971
5.862
-17.284
5.729
-17.151
6.138
-18.160
6.792
-11.106
3.641
-10.010
2.993
-8.901
2.743
-8.438
1.584
-9.510
3.807
-10.599
4.104
-8.462
3.050
-8.440
3.716
-7.423
3.472
-7.833
2.578
-6.954
2.261
-6.693
4.771
-6.588
5.880
-7.222
5.366
-9.054
2.018
-9.364
1.088
-9.226 -0.304
-8.854 -1.205
-10.758
1.429
-11.441
0.251
-10.631
2.616
-9.418 -0.612
-9.240 -1.928
-7.955 -2.584
-8.051 -3.772
-9.486 -2.000
-8.388 -1.485
-10.777 -1.275
-6.723 -1.998
-5.544 -2.659
-5.581 -3.128
-4.584 -3.739
-4.413 -1.635
-5.150 -0.304
-6.444 -0.706
-6.650 -2.967
-6.773 -3.644
-7.724 -4.783
-7.799 -5.584
-7.107 -2.603
-8.610 -2.292
-9.213 -3.033
-10.945 -3.115
-8.478 -5.012
-9.442 -6.060
-8.811 -7.303
-9.372 -8.392
-10.610 -5.609
-11.556 -4.553
-12.447 -3.886
-12.474 -5.180
-7.635 -7.287
-6.879 -8.438
-6.588 -9.363
-7.096 -10.514
S159
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
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
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
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
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
ASN
ASN
ASN
ASN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLN
GLN
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
286
286
286
286
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
290
290
290
290
290
290
290
290
290
290
290
290
291
291
291
291
291
291
292
292
292
292
292
292
292
292
293
293
293
293
293
293
293
293
293
293
293
294
294
294
294
294
294
294
294
295
295
9.942
9.840
9.526
10.065
12.991
14.067
14.698
14.998
15.045
14.689
13.198
14.890
15.366
14.469
14.940
15.562
16.914
18.037
17.099
19.318
18.378
19.489
13.164
12.257
12.259
12.286
10.824
10.810
9.740
9.517
12.272
12.346
13.535
13.493
12.214
11.490
10.136
12.120
9.438
11.411
10.079
9.407
14.584
15.750
15.526
16.348
16.887
17.101
14.503
14.418
15.090
15.310
12.967
12.231
12.869
12.074
15.556
16.661
16.253
16.214
17.725
17.441
16.063
15.127
13.822
13.122
13.215
15.890
15.556
16.548
17.342
14.121
13.435
13.958
12.215
16.556
17.623
-5.643
-4.500
-4.680
-3.239
-5.864
-5.636
-6.858
-6.939
-4.707
-4.888
-5.234
-7.884
-9.168
-9.785
-10.014
-10.097
-9.996
-10.469
-9.454
-10.390
-9.375
-9.839
-10.051
-10.614
-9.819
-10.417
-10.758
-11.906
-11.012
-11.982
-8.468
-7.679
-7.937
-7.406
-6.178
-5.365
-5.627
-4.304
-4.882
-3.533
-3.839
-3.135
-8.735
-9.016
-9.861
-10.731
-9.617
-8.855
-9.540
-9.877
-8.755
-7.656
-10.097
-11.390
-12.674
-11.529
-8.915
-8.199
-7.282
-7.681
-9.291
-10.399
-11.109
-10.171
-10.297
-11.385
-9.233
-6.012
-5.025
-3.927
-3.738
-4.478
-4.128
-3.384
-4.593
-3.121
-2.257
-7.918
-8.838
-10.035
-8.447
-9.034
-9.960
-10.431
-11.616
-9.214
-7.737
-7.768
-9.623
-10.046
-11.056
-12.193
-8.818
-8.223
-8.925
-6.940
-8.362
-6.375
-7.086
-10.824
-11.787
-13.032
-14.135
-11.184
-10.135
-12.269
-9.298
-13.000
-14.184
-15.046
-16.183
-13.802
-14.808
-15.081
-15.481
-16.040
-16.414
-16.714
-17.650
-14.700
-15.506
-16.710
-17.082
-14.644
-13.465
-17.519
-18.901
-19.604
-19.043
-19.402
-18.954
-19.530
-17.423
-20.851
-21.386
-22.477
-23.664
-21.710
-22.774
-22.776
-23.280
-23.484
-23.215
-23.976
-22.187
-23.176
-23.192
-22.241
-22.969
-24.225
-25.080
-24.498
-24.266
-24.642
S160
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N1+
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N1+
N
C
C
O
C
C
O
N
N
C
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
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
2201
2202
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
SER
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
295
295
295
295
295
295
295
296
296
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
300
300
300
300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
302
302
303
303
303
303
303
303
303
303
303
304
304
304
304
17.534
18.543
17.713
19.117
20.147
20.244
21.018
16.453
16.387
16.129
15.867
15.342
15.725
16.837
16.644
17.974
16.261
16.206
17.598
18.261
15.199
13.745
15.266
12.725
18.195
19.468
20.550
21.736
19.404
20.445
21.101
22.118
22.579
20.283
21.271
21.153
22.123
21.157
21.086
20.076
19.848
20.375
21.087
18.337
17.938
20.219
20.948
22.430
23.175
20.365
20.676
19.773
20.517
23.018
24.434
24.939
24.166
24.748
24.456
25.022
24.438
25.001
26.253
24.229
26.247
26.915
27.621
28.514
26.125
26.350
25.793
26.564
27.389
27.431
28.325
29.588
30.683
-0.939
-0.258
-2.239
-1.874
-2.873
-3.944
-2.720
-0.532
0.644
0.287
1.160
1.619
3.111
3.542
4.411
3.030
-0.994
-1.420
-1.778
-1.141
-2.606
-2.159
-3.202
-3.311
-2.768
-3.313
-2.499
-2.893
-4.782
-5.711
-6.678
-5.965
-6.889
-1.303
-0.311
0.820
1.604
0.216
-0.852
0.956
2.051
1.659
2.449
2.363
2.801
0.382
-0.194
-0.219
-0.688
-1.619
-2.282
-1.730
-3.814
0.219
0.203
1.503
2.467
-0.906
-2.348
-3.411
-3.234
-3.325
-3.712
-3.036
1.596
2.623
3.617
4.303
3.237
2.473
1.028
0.089
-0.849
3.676
4.340
3.561
4.119
-24.049
-24.083
-26.192
-26.742
-26.420
-27.054
-25.419
-23.413
-22.592
-21.176
-20.317
-23.196
-23.007
-23.871
-24.746
-23.765
-20.770
-19.403
-19.055
-18.199
-19.237
-19.563
-17.805
-19.697
-19.747
-19.438
-20.046
-19.985
-19.919
-19.248
-20.256
-21.165
-22.201
-20.611
-20.914
-19.974
-19.893
-22.359
-23.299
-19.171
-18.278
-16.963
-16.307
-18.242
-19.536
-16.552
-15.461
-15.678
-14.789
-15.264
-13.893
-12.768
-13.993
-16.817
-17.061
-17.571
-17.732
-18.101
-17.625
-18.591
-19.878
-21.078
-21.283
-22.113
-17.911
-18.668
-17.835
-18.379
-19.864
-21.191
-21.188
-22.136
-21.364
-16.504
-15.607
-15.505
-15.733
S161
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
O
C
C
C
O
N
N
C
C
O
C
C
C
O
O1N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N1+
N
C
C
O
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N1+
N
C
C
O
C
C
C
C
N1+
N
C
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
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
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
2277
2278
2279
CB
CG
CD1
CD2
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
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
LEU
LEU
LEU
LEU
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
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
304
304
304
304
305
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
308
308
308
309
309
309
309
309
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
311
311
311
311
311
312
312
312
312
312
312
27.630
26.314
25.058
26.180
29.556
30.689
31.200
32.396
30.284
29.695
31.488
28.897
30.354
30.622
31.564
32.801
30.991
30.652
30.088
30.837
29.915
30.363
31.376
30.401
31.427
30.939
31.071
31.855
31.381
31.060
31.844
32.494
30.434
31.230
30.777
31.330
31.632
29.224
28.599
27.050
26.429
26.530
27.292
25.853
31.467
31.987
30.908
30.791
33.206
34.123
35.510
36.459
37.803
30.089
29.214
30.001
29.546
27.953
27.200
26.974
26.159
31.240
32.121
32.667
33.084
33.259
34.175
35.505
33.854
35.995
34.988
32.779
33.333
34.641
34.671
32.278
32.859
4.552
5.380
4.480
6.367
2.232
1.345
1.209
1.457
-0.047
0.072
-1.026
-1.174
0.809
0.720
-0.353
-0.177
2.117
2.370
1.517
3.585
2.180
3.434
4.805
4.491
5.871
5.717
-1.520
-2.575
-2.833
-3.974
-3.839
-3.554
-4.440
-1.802
-1.913
-0.787
0.265
-1.902
-2.395
-2.348
-3.607
-4.714
-4.813
-5.782
-0.839
0.253
0.921
0.775
-0.233
0.949
0.468
1.654
1.166
1.750
2.718
3.968
4.919
2.912
1.568
3.974
1.629
4.063
5.181
5.424
4.460
4.885
6.015
5.986
7.300
7.195
8.006
6.695
7.111
7.801
9.056
7.998
8.634
-14.238
-14.344
-14.400
-13.165
-15.254
-15.298
-16.690
-16.952
-14.712
-13.276
-14.710
-12.837
-17.667
-19.074
-19.499
-19.488
-19.644
-21.062
-22.012
-21.717
-23.170
-23.015
-21.290
-23.928
-22.201
-23.510
-19.977
-20.566
-21.953
-22.359
-19.651
-18.276
-19.427
-22.809
-24.165
-24.943
-24.339
-24.188
-25.518
-25.495
-25.743
-25.008
-23.926
-25.396
-26.283
-27.041
-27.801
-29.037
-27.865
-28.265
-28.742
-29.005
-29.332
-27.118
-27.724
-27.938
-28.610
-26.818
-26.593
-27.387
-25.455
-27.411
-27.479
-28.834
-29.518
-26.469
-26.254
-26.411
-25.831
-26.104
-25.753
-29.272
-30.524
-30.301
-30.325
-31.230
-32.362
S162
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N1+
N
C
C
O
C
C
C
C
N1+
N
C
C
O
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
END
2280
2281
2282
2283
2284
2285
2286
N
CA
C
O
CB
CG
CD
PRO
PRO
PRO
PRO
PRO
PRO
PRO
A
A
A
A
A
A
A
313
313
313
313
313
313
313
35.818
37.052
37.566
37.929
38.018
37.454
35.948
7.144
7.829
8.544
9.705
6.714
5.448
5.722
-30.085
-29.816
-30.968
-30.869
-29.370
-30.018
-30.086
S163
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
N
C
C
O
C
C
C
Alignment of ORs and non-OR GPCR (fasta format)
>|hOR1A1|/1-309 protein [Homo sapiens]
---------MREN---NQSST---LEFILLGVTGQQEQEDFFYILFLFIYPITLIGNLLIVLAICSDVRLHN
-PMYFLLANLSLVDIFFSSVTIPKMLANHLL----GSKSISFGGCLTQMYFMIALGNTDSYILAAMAYDRAV
AISRPLHYTT--IMSPRSCIWLIAGSWVIGNANALPHTLLTASLSFCG----NQEVANFYCDITPLLKLSCS
DIHFHVKMMYLGVG-IFSVPLLCIIVSYIRVFSTVFQVPST---------------KGVLKAFSTCGSHLTV
VSLYYGTVMGTYFRPLTNYS-LKDA------------VITVMYTAVTPMLNSFIYSLRNRDMKAALRKLFNK
RISS-------------------->|hOR1A2|/1-309 olfactory receptor 1A2 [Homo sapiens]
---------MKKE---NQSFN---LDFILLGVTSQQEQNNVFFVIFLCIYPITLTGNLLIILAICADIRLHN
-PMYFLLANLSLVDIIFSSVTIPKVLANHLL----GSKFISFGGCLMQMYFMIALAKADSYTLAAMAYDRAV
AISCPLHYTT--IMSPRSCILLIAGSWVIGNTSALPHTLLTASLSFCG----NQEVANFYCDIMPLLKLSCS
DVHFNVKMMYLGVG-VFSLPLLCIIVSYVQVFSTVFQVPST---------------KSLFKAFCTCGSHLTV
VFLYYGTTMGMYFRPLTSYS-PKDA------------VITVMYVAVTPALNPFIYSLRNWDMKAALQKLFSK
RISS-------------------->|hOR1G1|/1-313 protein [Homo sapiens]
---------MEGK---NLTSI---SECFLLGFSEQLEEQKPLFGSFLFMYLVTVAGNLLIILVIITDTQLHT
-PMYFFLANLSLADACFVSTTVPKMLANIQI----QSQAISYSGCLLQLYFFMLFVMLEAFLLAVMAYDCYV
AICHPLHYIL--IMSPGLCIFLVSASWIMNALHSLLHTLLMNSLSFCA----NHEIPHFFCDINPLLSLSCT
DPFTNELVIFITGGLTGLICVLCLIISYTNVFSTILKIPSA---------------QGKRKAFSTCSSHLSV
VSLFFGTSFCVDFSSPSTHSAQKDT------------VASVMYTVVTPMLNPFIYSLRNQEIKSSLRKLIWV
RKIHSP------------------>|hOR2AG1|1-316/1-316 olfactory receptor 2AG1 [Homo sapiens]
---------MELW---NFTLG---SGFILVGILNDSGSPELLCATITILYLLALISNGLLLLAITMEARLHM
-PMYLLLGQLSLMDLLFTSVVTPKALADFLR----RENTISFGGCALQMFLALTMGGAEDLLLAFMAYDRYV
AICHPLTYMT--LMSSRACWLMVATSWILASLSALIYTVYTMHYPFCR----AQEIRHLLCEIPHLLKVACA
DTSRYELMVYVMGVTFLIPSLAAILASYTQILLTVLHMPSN---------------EGRKKALVTCSSHLTV
VGMFYGAATFMYVLPSSFHSTRQDN------------IISVFYTIVTPALNPLIYSLRNKEVMRALRRVLGK
YMLPAHSTL--------------->|mOR-I7|/1-327 olfactory receptor I7 [Mus musculus]
---------MERR---NHTGR--VSEFVLLGFPAPAPLRALLFFLSLLAYVLVLTENILIITAIRNHPTLHK
-PMYFFLANMSFLEIWYVTVTIPKMLAGFIGSEENHGQLISFEACMTQLYFFLGLGCTECVLLAVMAYDRYV
AICHPLHYPV--IVSSRLCVQMAAGSWAGGFGISMVKVFLISRLSYCG----PNTINHFFCDVSPLLNLSCT
DMSTAELTDFILAIFILLGPLSVTGASYMAITGAVMRIPSA---------------AGRHKAFSTCASHLTV
VIIFYAASIFIYARPKALSAFDTNK------------LVSVLYAVIVPLLNPIIYCLRNQEVKKALRRTLHL
AQGQDANTKKSSRDG--------->|rOR-i7|/1-327 Olfactory receptor 226 OS=Rattus norvegicus GN=Olr226 PE=2
SV=2
---------MERRNHS-----GRVSEFVLLGFPAPAPLRVLLFFLSLLAYVLVLTENMLIIIAIRNHPTLHK
-PMYFFLANMSFLEIWYVTVTIPKMLAGFIGSKENHGQLISFEACMTQLYFFLGLGCTECVLLAVMAYDRYV
AICHPLHYPV--IVSSRLCVQMAAGSWAGGFGISMVKVFLISRLSYCG----PNTINHFFCDVSPLLNLSCT
DMSTAELTDFVLAIFILLGPLSVTGASYMAITGAVMRIPSA---------------AGRHKAFSTCASHLTV
VIIFYAASIFIYARPKALSAFDTNK------------LVSVLYAVIVPLFNPIIYCLRNQDVKRALRRTLHL
AQDQEANTNKGSKNG--------->mOR-EG/1-313 Olfactory receptor OS=Mus musculus GN=Olfr73 PE=2 SV=1
---------MTLSDGN-----HSGAVFTLLGFSDYPELTIPLFLIFLTIYSITVVGNIGMIVIIRINPKLHI
-PMYFFLSHLSFVDFCYSSIVAPKMLVNLVTM----NRGISFVGCLVQFFFFCTFVVTESFLLGVMAYDRFV
AIRNPLLYTVAMSQRLCAMLVLGSYAWGVVCSLILTCSALNLSFYGFN------MINHFFCEFSSLLSLSRS
DTSVSQLLLFVFATFNEISTLLIILLSYVLIVVTILKMKSA---------------SGRRKAFSTCASHLTA
ITIFHGTILFLYCVPNSKNSRHTVK------------VASVFYTVVIPMLNPLIYSLRNKDVKDTVKKIIGT
KVYSS------------------->mOR42-3/1-334 olfactory receptor 544 [Mus musculus]
---------MSGWSNG--TYNESYTSFLLMGFPGMQEARALLVLPFLSLYLVILFTNALVIHTVASQRSLHQ
-PMYLLIALLLAVNICAATTVVPPMLFSFSTR----FNRISLPRCLGQMFCIYFLIVFDCNILLVMALDRYV
AICYPLRYPE--IVTGQLLAGLVVLAVTRSTCIVAPVVVLASRVRFCR----SDVIRHFACEHMALMKLSCG
DISLNKTVGLTVRIFNRVLDMLLLGASYSRIIHAAFRISS---------------GGARSKALNTCGSHLLV
S164
IFTVYSSTMSSSIVYRVARTASQDV----------HNLLSAFYLLLPCLVNPIIYGARTKEIRQHLVALFQR
TQQQVFTEKPQSLPSNRELPG--->mOR244-3/1-308 Olfactory receptor OS=Mus musculus GN=Olfr1509 PE=2 SV=1
---------MGALNQT------RVTEFIFLGLTDNWVLEILFFVPFTVTYMLTLLGNFLIVVTIVFTPRLHN
-PMYFFLSNLSFIDICHSSVTVPKMLEGLLLE----RKTISFDNCIAQLFFLHLFACSEIFLLTIMAYDRYV
AICIPLHYSN--VMNMKVCVQLVFALWLGGTIHSLVQTFLTIRLPYCG----PNIIDSYFCDVPPVIKLACT
DTYLTGILIVSNSGTISLVCFLALVTSYTVILFSLRKQSA----------------EGRRKALSTCSAHFMV
VALFFGPCIFLYTRPDSSFSIDKVV--------------SVFYTVVTPLLNPLIYTLRNEEVKTAMKHLRQR
RICS-------------------->|b1U19|Rhodo|/1-348 Crystal Structure Of Bovine Rhodopsin At 2.2 Angstroms
Resolution
MNGTEGPNFYVPFSNKTG--VVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRT
-PLNYILLNLAVADLFMVFGGFTTTLYTSLHG----YFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYV
VVCKPMSNFR---FGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCS--------CGIDYY---TPH
EETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQ-------ESATTQKAEKEVTRMVIIMVIA
FLICWLPYAGVAFYIFTHQGSDFGP---------IFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCC
GKNPLGDDEASTTVSKTETSQVAPA
>|h2RH1|beta2|A/29-333 263-342 , Human B2-Adrenergic G Protein- Coupled
Receptor.
----------------------------------DEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQT
-VTNYFITSLACADLVMGLAVVPFGAAHILMK----MWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYF
AITSPFKYQS--LLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAI-NCYAEETCCDFFT----------NQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLKF--------------CLKEHKALKTLGIIMGT
FTLCWLPFFIVNIVH-VIQDNLIRK---------EVYILLNWIGYVNSGFNPLIYCRS-PDFRIAFQELLCL
RRSSLKAYGNGYSSNGNTGEQSG->|h2YDV|a2A/1-325 adenosine|
---------------------------------MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQN
-VTNYFVVSAAAADILVGVLAIPFAIAISTG------FCAACHGCLFIACFVLVLTASSIFSLLAIAIDRYI
AIRIPLRYNG--LVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGK-A---HSQGCG-EGQVACLFE
DVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGL
FALCWLPLHIINCFTFFCPDCSHAP--------LWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRS
HVLRQQEPFKAAAAENLYFQ---->|h2LNL|CXCR1|/29-324
---------------------------PCMLETET-LNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRS
-VTDVYLLNLALADLLF-ALTLPIWAASKVNG-----WIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYL
AIVHATRTLT--QKRHLVK-FVCLGCWGLSMNLSLPFFLFRQAYHPNNSSP-V-------CYEVLGND---T
AKWRMVLRILPHTFGFI-VPLFVMLFCYGFTLRTLFKAHMG----------------QKHRAMRVIFAVVLI
FLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHG--FLKIL
AMHG---------------------
S165