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Datasets:
THU-ATOM
/
PDBbind_test

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linbc20 commited on
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31a702a
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1 Parent(s): f179291

Add batch 3

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Files changed (33) hide show
  1. 6ckl/6ckl_af2_apo_protein.pdb +0 -0
  2. 6ckl/6ckl_af2_holo_ligand.sdf +46 -0
  3. 6ckl/6ckl_af2_holo_protein.pdb +0 -0
  4. 6cyg/6cyg_af2_apo_protein.pdb +0 -0
  5. 6cyg/6cyg_af2_holo_ligand.sdf +54 -0
  6. 6cyg/6cyg_af2_holo_protein.pdb +0 -0
  7. 6cyh/6cyh_af2_apo_protein.pdb +0 -0
  8. 6cyh/6cyh_af2_holo_ligand.sdf +55 -0
  9. 6cyh/6cyh_af2_holo_protein.pdb +0 -0
  10. 6d07/6d07_af2_apo_protein.pdb +448 -0
  11. 6d07/6d07_af2_holo_ligand.sdf +148 -0
  12. 6d07/6d07_af2_holo_protein.pdb +540 -0
  13. 6d08/6d08_af2_apo_protein.pdb +422 -0
  14. 6d08/6d08_af2_holo_ligand.sdf +145 -0
  15. 6d08/6d08_af2_holo_protein.pdb +509 -0
  16. 6d3x/6d3x_af2_apo_protein.pdb +0 -0
  17. 6d3x/6d3x_af2_holo_ligand.sdf +238 -0
  18. 6d3x/6d3x_af2_holo_protein.pdb +0 -0
  19. 6d3y/6d3y_af2_apo_protein.pdb +0 -0
  20. 6d3y/6d3y_af2_holo_ligand.sdf +231 -0
  21. 6d3y/6d3y_af2_holo_protein.pdb +0 -0
  22. 6d3z/6d3z_af2_apo_protein.pdb +0 -0
  23. 6d3z/6d3z_af2_holo_ligand.sdf +242 -0
  24. 6d3z/6d3z_af2_holo_protein.pdb +0 -0
  25. 6d40/6d40_af2_apo_protein.pdb +0 -0
  26. 6d40/6d40_af2_holo_ligand.sdf +236 -0
  27. 6d40/6d40_af2_holo_protein.pdb +0 -0
  28. 6dql/6dql_af2_apo_protein.pdb +0 -0
  29. 6dql/6dql_af2_holo_ligand.sdf +157 -0
  30. 6dql/6dql_af2_holo_protein.pdb +0 -0
  31. 6dyz/6dyz_af2_apo_protein.pdb +0 -0
  32. 6dyz/6dyz_af2_holo_ligand.sdf +53 -0
  33. 6dyz/6dyz_af2_holo_protein.pdb +0 -0
6ckl/6ckl_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6ckl/6ckl_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,46 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+
2
+ RDKit 3D
3
+
4
+ 20 20 0 0 0 0 0 0 0 0999 V2000
5
+ 5.7567 -0.5850 2.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
6
+ 7.0105 0.0915 2.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ 7.8216 -0.4898 1.8849 O 0 0 0 0 0 0 0 0 0 0 0 0
8
+ 7.1648 1.3348 2.9987 N 0 0 0 0 0 0 0 0 0 0 0 0
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+ 8.3300 2.1221 2.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
10
+ 8.6673 3.0212 3.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
11
+ 8.9124 2.2458 5.0535 O 0 0 0 0 0 0 0 0 0 0 0 0
12
+ 9.8465 3.8811 3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
13
+ 9.9188 4.3468 2.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
14
+ 10.8284 5.3974 1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
15
+ 11.4472 6.1265 2.4880 O 0 0 0 0 0 0 0 0 0 0 0 0
16
+ 10.9284 5.5802 0.4315 O 0 0 0 0 0 0 0 0 0 0 0 0
17
+ 9.0123 3.9230 1.1236 O 0 0 0 0 0 0 0 0 0 0 0 0
18
+ 8.0250 2.9564 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
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+ 7.7986 2.1541 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
20
+ 8.8704 1.2630 -0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0
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+ 7.6077 3.0038 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
22
+ 6.8016 4.1561 -0.7822 O 0 0 0 0 0 0 0 0 0 0 0 0
23
+ 6.8763 2.0972 -2.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
24
+ 6.6685 2.7416 -3.3168 O 0 0 0 0 0 0 0 0 0 0 0 0
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+ 9 10 1 0
26
+ 10 12 1 0
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+ 10 11 2 0
28
+ 8 9 2 0
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+ 13 9 1 0
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+ 6 8 1 0
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+ 5 6 1 0
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+ 6 7 1 0
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+ 5 14 1 0
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+ 4 5 1 0
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+ 14 15 1 0
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+ 14 13 1 0
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+ 15 17 1 0
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+ 15 16 1 0
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+ 17 19 1 0
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+ 17 18 1 0
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+ 19 20 1 0
42
+ 2 1 1 0
43
+ 2 4 1 0
44
+ 2 3 2 0
45
+ M END
46
+ $$$$
6ckl/6ckl_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cyg/6cyg_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cyg/6cyg_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,54 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+
2
+ RDKit 3D
3
+
4
+ 23 25 0 0 0 0 0 0 0 0999 V2000
5
+ 20.3936 7.6649 -30.9065 N 0 0 0 0 0 0 0 0 0 0 0 0
6
+ 19.9467 8.0194 -32.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ 20.2051 7.1909 -33.2248 N 0 0 0 0 0 0 0 0 0 0 0 0
8
+ 19.7764 7.4649 -34.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
9
+ 19.0645 8.5690 -34.7341 N 0 0 0 0 0 0 0 0 0 0 0 0
10
+ 18.7661 9.4471 -33.7115 C 0 0 0 0 0 0 0 0 0 0 0 0
11
+ 19.1968 9.1809 -32.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
12
+ 18.7677 10.2149 -31.6186 N 0 0 0 0 0 0 0 0 0 0 0 0
13
+ 18.0925 11.0955 -32.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
14
+ 18.0902 10.6362 -33.6634 N 0 0 0 0 0 0 0 0 0 0 0 0
15
+ 17.4630 11.2467 -34.7965 C 0 0 0 0 0 0 0 0 0 0 0 0
16
+ 17.4204 12.5187 -34.6932 O 0 0 0 0 0 0 0 0 0 0 0 0
17
+ 15.9705 12.8999 -34.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
18
+ 15.8705 13.8872 -33.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
19
+ 15.9341 13.5448 -32.2938 O 0 0 0 0 0 0 0 0 0 0 0 0
20
+ 15.7473 15.2693 -33.7552 N 0 0 0 0 0 0 0 0 0 0 0 0
21
+ 15.6892 16.2493 -32.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
22
+ 14.2585 16.5005 -32.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
23
+ 13.6397 17.2274 -33.3320 O 0 0 0 0 0 0 0 0 0 0 0 0
24
+ 15.2454 11.5260 -34.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
25
+ 13.7953 11.5799 -34.7066 O 0 0 0 0 0 0 0 0 0 0 0 0
26
+ 15.9119 10.7144 -34.8808 C 0 0 0 0 0 0 0 0 0 0 0 0
27
+ 15.5018 10.6778 -36.3157 O 0 0 0 0 0 0 0 0 0 0 0 0
28
+ 19 18 1 0
29
+ 18 17 1 0
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+ 17 16 1 0
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+ 16 14 1 0
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+ 14 15 2 0
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+ 14 13 1 0
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+ 13 12 1 0
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+ 13 20 1 0
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+ 12 11 1 0
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+ 20 21 1 0
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+ 20 22 1 0
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+ 22 23 1 0
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+ 22 11 1 0
41
+ 11 10 1 0
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+ 10 9 1 0
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+ 10 6 1 0
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+ 9 8 2 0
45
+ 8 7 1 0
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+ 7 6 1 0
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+ 7 2 2 0
48
+ 6 5 2 0
49
+ 5 4 1 0
50
+ 4 3 2 0
51
+ 3 2 1 0
52
+ 2 1 1 0
53
+ M END
54
+ $$$$
6cyg/6cyg_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cyh/6cyh_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cyh/6cyh_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,55 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+
2
+ RDKit 3D
3
+
4
+ 23 25 0 0 0 0 0 0 0 0999 V2000
5
+ 20.4836 8.0590 -30.9583 N 0 0 0 0 0 0 0 0 0 0 0 0
6
+ 19.8622 8.3883 -32.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ 19.9928 7.5202 -33.2870 N 0 0 0 0 0 0 0 0 0 0 0 0
8
+ 19.4225 7.7640 -34.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
9
+ 18.7229 8.8579 -34.7331 N 0 0 0 0 0 0 0 0 0 0 0 0
10
+ 18.5653 9.7821 -33.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
11
+ 19.1362 9.5679 -32.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
12
+ 18.7974 10.6499 -31.6432 N 0 0 0 0 0 0 0 0 0 0 0 0
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+ 18.0551 11.5040 -32.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
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+ 17.9066 10.9805 -33.6519 N 0 0 0 0 0 0 0 0 0 0 0 0
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+ 17.1665 11.5348 -34.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
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+ 16.9480 12.8110 -34.6081 O 0 0 0 0 0 0 0 0 0 0 0 0
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+ 15.3097 13.0195 -34.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
18
+ 15.1560 14.1446 -33.5472 C 0 0 0 0 0 0 0 0 0 0 0 0
19
+ 15.8907 14.3608 -32.5535 O 0 0 0 0 0 0 0 0 0 0 0 0
20
+ 14.1103 15.0829 -33.8683 N 0 0 0 0 0 0 0 0 0 0 0 0
21
+ 13.8509 16.2498 -33.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
22
+ 13.5207 17.4078 -34.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
23
+ 14.6993 17.9504 -34.6524 N 0 0 0 0 0 0 0 0 0 0 0 0
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+ 14.8784 11.8454 -33.9667 C 0 0 0 0 0 0 0 0 0 0 0 0
25
+ 13.4717 11.6259 -34.2621 O 0 0 0 0 0 0 0 0 0 0 0 0
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+ 15.7474 10.8506 -34.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
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+ 15.2852 10.7557 -36.0809 O 0 0 0 0 0 0 0 0 0 0 0 0
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+ 19 18 1 0
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+ 18 17 1 0
30
+ 17 16 1 0
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+ 16 14 1 0
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+ 14 15 2 0
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+ 14 13 1 0
34
+ 13 12 1 0
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+ 13 20 1 0
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+ 12 11 1 0
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+ 20 21 1 0
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+ 20 22 1 0
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+ 22 23 1 0
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+ 22 11 1 0
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+ 11 10 1 0
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+ 10 9 1 0
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+ 10 6 1 0
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+ 8 7 1 0
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+ 7 6 1 0
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+ 7 2 2 0
48
+ 6 5 2 0
49
+ 5 4 1 0
50
+ 4 3 2 0
51
+ 3 2 1 0
52
+ 2 1 1 0
53
+ M CHG 1 19 1
54
+ M END
55
+ $$$$
6cyh/6cyh_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d07/6d07_af2_apo_protein.pdb ADDED
@@ -0,0 +1,448 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N GLU A 20 -10.077 -19.358 2.843 1.00 79.49 N
2
+ ATOM 2 CA GLU A 20 -9.844 -19.320 4.284 1.00 79.49 C
3
+ ATOM 3 C GLU A 20 -8.541 -18.569 4.604 1.00 79.49 C
4
+ ATOM 4 CB GLU A 20 -9.803 -20.740 4.869 1.00 79.49 C
5
+ ATOM 5 O GLU A 20 -7.444 -18.966 4.199 1.00 79.49 O
6
+ ATOM 6 CG GLU A 20 -11.145 -21.493 4.795 1.00 79.49 C
7
+ ATOM 7 CD GLU A 20 -11.048 -22.931 5.347 1.00 79.49 C
8
+ ATOM 8 OE1 GLU A 20 -12.018 -23.703 5.170 1.00 79.49 O
9
+ ATOM 9 OE2 GLU A 20 -9.996 -23.280 5.940 1.00 79.49 O
10
+ ATOM 10 N TYR A 21 -8.643 -17.504 5.400 1.00 81.89 N
11
+ ATOM 11 CA TYR A 21 -7.503 -16.716 5.867 1.00 81.89 C
12
+ ATOM 12 C TYR A 21 -7.284 -16.896 7.371 1.00 81.89 C
13
+ ATOM 13 CB TYR A 21 -7.691 -15.245 5.486 1.00 81.89 C
14
+ ATOM 14 O TYR A 21 -8.217 -16.958 8.169 1.00 81.89 O
15
+ ATOM 15 CG TYR A 21 -7.615 -14.983 3.998 1.00 81.89 C
16
+ ATOM 16 CD1 TYR A 21 -6.376 -14.672 3.408 1.00 81.89 C
17
+ ATOM 17 CD2 TYR A 21 -8.781 -15.036 3.206 1.00 81.89 C
18
+ ATOM 18 CE1 TYR A 21 -6.308 -14.401 2.032 1.00 81.89 C
19
+ ATOM 19 CE2 TYR A 21 -8.708 -14.782 1.822 1.00 81.89 C
20
+ ATOM 20 OH TYR A 21 -7.319 -14.187 -0.081 1.00 81.89 O
21
+ ATOM 21 CZ TYR A 21 -7.466 -14.460 1.237 1.00 81.89 C
22
+ ATOM 22 N VAL A 22 -6.019 -16.941 7.798 1.00 85.65 N
23
+ ATOM 23 CA VAL A 22 -5.691 -17.087 9.223 1.00 85.65 C
24
+ ATOM 24 C VAL A 22 -5.886 -15.754 9.940 1.00 85.65 C
25
+ ATOM 25 CB VAL A 22 -4.273 -17.644 9.441 1.00 85.65 C
26
+ ATOM 26 O VAL A 22 -5.172 -14.785 9.678 1.00 85.65 O
27
+ ATOM 27 CG1 VAL A 22 -3.951 -17.796 10.936 1.00 85.65 C
28
+ ATOM 28 CG2 VAL A 22 -4.111 -19.024 8.791 1.00 85.65 C
29
+ ATOM 29 N VAL A 23 -6.801 -15.722 10.907 1.00 87.73 N
30
+ ATOM 30 CA VAL A 23 -7.010 -14.563 11.782 1.00 87.73 C
31
+ ATOM 31 C VAL A 23 -5.853 -14.448 12.779 1.00 87.73 C
32
+ ATOM 32 CB VAL A 23 -8.370 -14.641 12.502 1.00 87.73 C
33
+ ATOM 33 O VAL A 23 -5.518 -15.389 13.496 1.00 87.73 O
34
+ ATOM 34 CG1 VAL A 23 -8.653 -13.361 13.300 1.00 87.73 C
35
+ ATOM 35 CG2 VAL A 23 -9.518 -14.824 11.504 1.00 87.73 C
36
+ ATOM 36 N GLU A 24 -5.228 -13.276 12.839 1.00 87.97 N
37
+ ATOM 37 CA GLU A 24 -4.238 -12.914 13.853 1.00 87.97 C
38
+ ATOM 38 C GLU A 24 -4.915 -12.401 15.128 1.00 87.97 C
39
+ ATOM 39 CB GLU A 24 -3.298 -11.842 13.279 1.00 87.97 C
40
+ ATOM 40 O GLU A 24 -4.522 -12.784 16.231 1.00 87.97 O
41
+ ATOM 41 CG GLU A 24 -2.104 -11.509 14.186 1.00 87.97 C
42
+ ATOM 42 CD GLU A 24 -1.255 -10.333 13.670 1.00 87.97 C
43
+ ATOM 43 OE1 GLU A 24 -0.632 -9.663 14.527 1.00 87.97 O
44
+ ATOM 44 OE2 GLU A 24 -1.206 -10.105 12.436 1.00 87.97 O
45
+ ATOM 45 N LYS A 25 -5.915 -11.516 14.992 1.00 88.26 N
46
+ ATOM 46 CA LYS A 25 -6.619 -10.915 16.133 1.00 88.26 C
47
+ ATOM 47 C LYS A 25 -7.990 -10.351 15.749 1.00 88.26 C
48
+ ATOM 48 CB LYS A 25 -5.720 -9.813 16.728 1.00 88.26 C
49
+ ATOM 49 O LYS A 25 -8.147 -9.776 14.681 1.00 88.26 O
50
+ ATOM 50 CG LYS A 25 -6.259 -9.342 18.078 1.00 88.26 C
51
+ ATOM 51 CD LYS A 25 -5.332 -8.347 18.768 1.00 88.26 C
52
+ ATOM 52 CE LYS A 25 -6.050 -7.949 20.059 1.00 88.26 C
53
+ ATOM 53 NZ LYS A 25 -5.313 -6.911 20.807 1.00 88.26 N
54
+ ATOM 54 N VAL A 26 -8.951 -10.414 16.670 1.00 89.41 N
55
+ ATOM 55 CA VAL A 26 -10.206 -9.648 16.591 1.00 89.41 C
56
+ ATOM 56 C VAL A 26 -9.986 -8.254 17.187 1.00 89.41 C
57
+ ATOM 57 CB VAL A 26 -11.341 -10.396 17.308 1.00 89.41 C
58
+ ATOM 58 O VAL A 26 -9.582 -8.123 18.348 1.00 89.41 O
59
+ ATOM 59 CG1 VAL A 26 -12.646 -9.598 17.276 1.00 89.41 C
60
+ ATOM 60 CG2 VAL A 26 -11.610 -11.759 16.660 1.00 89.41 C
61
+ ATOM 61 N LEU A 27 -10.209 -7.212 16.388 1.00 85.42 N
62
+ ATOM 62 CA LEU A 27 -9.943 -5.823 16.770 1.00 85.42 C
63
+ ATOM 63 C LEU A 27 -11.186 -5.092 17.271 1.00 85.42 C
64
+ ATOM 64 CB LEU A 27 -9.335 -5.072 15.576 1.00 85.42 C
65
+ ATOM 65 O LEU A 27 -11.073 -4.293 18.200 1.00 85.42 O
66
+ ATOM 66 CG LEU A 27 -7.965 -5.588 15.110 1.00 85.42 C
67
+ ATOM 67 CD1 LEU A 27 -7.500 -4.711 13.955 1.00 85.42 C
68
+ ATOM 68 CD2 LEU A 27 -6.903 -5.533 16.215 1.00 85.42 C
69
+ ATOM 69 N ASP A 28 -12.347 -5.358 16.673 1.00 85.98 N
70
+ ATOM 70 CA ASP A 28 -13.597 -4.676 17.006 1.00 85.98 C
71
+ ATOM 71 C ASP A 28 -14.828 -5.546 16.683 1.00 85.98 C
72
+ ATOM 72 CB ASP A 28 -13.638 -3.314 16.284 1.00 85.98 C
73
+ ATOM 73 O ASP A 28 -14.725 -6.542 15.964 1.00 85.98 O
74
+ ATOM 74 CG ASP A 28 -14.575 -2.297 16.949 1.00 85.98 C
75
+ ATOM 75 OD1 ASP A 28 -15.218 -2.654 17.965 1.00 85.98 O
76
+ ATOM 76 OD2 ASP A 28 -14.671 -1.171 16.417 1.00 85.98 O
77
+ ATOM 77 N ARG A 29 -15.999 -5.174 17.214 1.00 87.02 N
78
+ ATOM 78 CA ARG A 29 -17.293 -5.828 16.969 1.00 87.02 C
79
+ ATOM 79 C ARG A 29 -18.393 -4.793 16.779 1.00 87.02 C
80
+ ATOM 80 CB ARG A 29 -17.642 -6.756 18.139 1.00 87.02 C
81
+ ATOM 81 O ARG A 29 -18.644 -3.974 17.664 1.00 87.02 O
82
+ ATOM 82 CG ARG A 29 -18.960 -7.524 17.925 1.00 87.02 C
83
+ ATOM 83 CD ARG A 29 -19.487 -8.114 19.236 1.00 87.02 C
84
+ ATOM 84 NE ARG A 29 -20.028 -7.056 20.118 1.00 87.02 N
85
+ ATOM 85 NH1 ARG A 29 -20.774 -8.416 21.798 1.00 87.02 N
86
+ ATOM 86 NH2 ARG A 29 -21.093 -6.210 21.944 1.00 87.02 N
87
+ ATOM 87 CZ ARG A 29 -20.627 -7.230 21.280 1.00 87.02 C
88
+ ATOM 88 N ARG A 30 -19.172 -4.935 15.708 1.00 87.23 N
89
+ ATOM 89 CA ARG A 30 -20.359 -4.112 15.438 1.00 87.23 C
90
+ ATOM 90 C ARG A 30 -21.582 -4.963 15.110 1.00 87.23 C
91
+ ATOM 91 CB ARG A 30 -20.024 -3.083 14.348 1.00 87.23 C
92
+ ATOM 92 O ARG A 30 -21.474 -6.147 14.819 1.00 87.23 O
93
+ ATOM 93 CG ARG A 30 -19.895 -3.707 12.953 1.00 87.23 C
94
+ ATOM 94 CD ARG A 30 -19.444 -2.643 11.951 1.00 87.23 C
95
+ ATOM 95 NE ARG A 30 -19.440 -3.168 10.580 1.00 87.23 N
96
+ ATOM 96 NH1 ARG A 30 -18.332 -1.453 9.538 1.00 87.23 N
97
+ ATOM 97 NH2 ARG A 30 -19.016 -3.247 8.379 1.00 87.23 N
98
+ ATOM 98 CZ ARG A 30 -18.926 -2.614 9.506 1.00 87.23 C
99
+ ATOM 99 N VAL A 31 -22.760 -4.344 15.164 1.00 89.03 N
100
+ ATOM 100 CA VAL A 31 -24.024 -4.965 14.744 1.00 89.03 C
101
+ ATOM 101 C VAL A 31 -24.590 -4.166 13.577 1.00 89.03 C
102
+ ATOM 102 CB VAL A 31 -25.031 -5.070 15.905 1.00 89.03 C
103
+ ATOM 103 O VAL A 31 -24.924 -2.991 13.736 1.00 89.03 O
104
+ ATOM 104 CG1 VAL A 31 -26.321 -5.773 15.456 1.00 89.03 C
105
+ ATOM 105 CG2 VAL A 31 -24.444 -5.858 17.083 1.00 89.03 C
106
+ ATOM 106 N VAL A 32 -24.718 -4.799 12.412 1.00 84.01 N
107
+ ATOM 107 CA VAL A 32 -25.228 -4.192 11.176 1.00 84.01 C
108
+ ATOM 108 C VAL A 32 -26.402 -5.022 10.672 1.00 84.01 C
109
+ ATOM 109 CB VAL A 32 -24.119 -4.068 10.109 1.00 84.01 C
110
+ ATOM 110 O VAL A 32 -26.297 -6.225 10.470 1.00 84.01 O
111
+ ATOM 111 CG1 VAL A 32 -24.668 -3.483 8.799 1.00 84.01 C
112
+ ATOM 112 CG2 VAL A 32 -23.009 -3.127 10.588 1.00 84.01 C
113
+ ATOM 113 N LYS A 33 -27.569 -4.386 10.491 1.00 86.58 N
114
+ ATOM 114 CA LYS A 33 -28.808 -5.047 10.017 1.00 86.58 C
115
+ ATOM 115 C LYS A 33 -29.193 -6.312 10.814 1.00 86.58 C
116
+ ATOM 116 CB LYS A 33 -28.711 -5.333 8.505 1.00 86.58 C
117
+ ATOM 117 O LYS A 33 -29.788 -7.234 10.268 1.00 86.58 O
118
+ ATOM 118 CG LYS A 33 -28.545 -4.072 7.644 1.00 86.58 C
119
+ ATOM 119 CD LYS A 33 -28.381 -4.482 6.176 1.00 86.58 C
120
+ ATOM 120 CE LYS A 33 -28.215 -3.253 5.277 1.00 86.58 C
121
+ ATOM 121 NZ LYS A 33 -27.881 -3.655 3.887 1.00 86.58 N
122
+ ATOM 122 N GLY A 34 -28.869 -6.346 12.108 1.00 85.72 N
123
+ ATOM 123 CA GLY A 34 -29.142 -7.486 12.991 1.00 85.72 C
124
+ ATOM 124 C GLY A 34 -28.121 -8.626 12.911 1.00 85.72 C
125
+ ATOM 125 O GLY A 34 -28.240 -9.569 13.687 1.00 85.72 O
126
+ ATOM 126 N LYS A 35 -27.117 -8.531 12.033 1.00 83.79 N
127
+ ATOM 127 CA LYS A 35 -25.971 -9.442 11.985 1.00 83.79 C
128
+ ATOM 128 C LYS A 35 -24.797 -8.847 12.761 1.00 83.79 C
129
+ ATOM 129 CB LYS A 35 -25.587 -9.743 10.529 1.00 83.79 C
130
+ ATOM 130 O LYS A 35 -24.593 -7.631 12.748 1.00 83.79 O
131
+ ATOM 131 CG LYS A 35 -26.679 -10.522 9.771 1.00 83.79 C
132
+ ATOM 132 CD LYS A 35 -26.117 -11.017 8.431 1.00 83.79 C
133
+ ATOM 133 CE LYS A 35 -27.041 -12.017 7.722 1.00 83.79 C
134
+ ATOM 134 NZ LYS A 35 -26.261 -12.844 6.757 1.00 83.79 N
135
+ ATOM 135 N VAL A 36 -24.062 -9.695 13.472 1.00 87.43 N
136
+ ATOM 136 CA VAL A 36 -22.822 -9.310 14.154 1.00 87.43 C
137
+ ATOM 137 C VAL A 36 -21.678 -9.437 13.156 1.00 87.43 C
138
+ ATOM 138 CB VAL A 36 -22.566 -10.173 15.403 1.00 87.43 C
139
+ ATOM 139 O VAL A 36 -21.576 -10.443 12.460 1.00 87.43 O
140
+ ATOM 140 CG1 VAL A 36 -21.315 -9.704 16.157 1.00 87.43 C
141
+ ATOM 141 CG2 VAL A 36 -23.745 -10.100 16.387 1.00 87.43 C
142
+ ATOM 142 N GLU A 37 -20.834 -8.415 13.095 1.00 89.11 N
143
+ ATOM 143 CA GLU A 37 -19.614 -8.399 12.292 1.00 89.11 C
144
+ ATOM 144 C GLU A 37 -18.423 -8.088 13.199 1.00 89.11 C
145
+ ATOM 145 CB GLU A 37 -19.712 -7.357 11.167 1.00 89.11 C
146
+ ATOM 146 O GLU A 37 -18.538 -7.297 14.147 1.00 89.11 O
147
+ ATOM 147 CG GLU A 37 -20.781 -7.666 10.102 1.00 89.11 C
148
+ ATOM 148 CD GLU A 37 -20.981 -6.510 9.103 1.00 89.11 C
149
+ ATOM 149 OE1 GLU A 37 -21.851 -6.636 8.214 1.00 89.11 O
150
+ ATOM 150 OE2 GLU A 37 -20.371 -5.423 9.287 1.00 89.11 O
151
+ ATOM 151 N TYR A 38 -17.276 -8.680 12.885 1.00 87.73 N
152
+ ATOM 152 CA TYR A 38 -16.019 -8.472 13.589 1.00 87.73 C
153
+ ATOM 153 C TYR A 38 -14.968 -7.905 12.645 1.00 87.73 C
154
+ ATOM 154 CB TYR A 38 -15.541 -9.786 14.202 1.00 87.73 C
155
+ ATOM 155 O TYR A 38 -14.834 -8.360 11.514 1.00 87.73 O
156
+ ATOM 156 CG TYR A 38 -16.406 -10.288 15.342 1.00 87.73 C
157
+ ATOM 157 CD1 TYR A 38 -16.091 -9.903 16.657 1.00 87.73 C
158
+ ATOM 158 CD2 TYR A 38 -17.518 -11.121 15.103 1.00 87.73 C
159
+ ATOM 159 CE1 TYR A 38 -16.831 -10.404 17.741 1.00 87.73 C
160
+ ATOM 160 CE2 TYR A 38 -18.295 -11.588 16.182 1.00 87.73 C
161
+ ATOM 161 OH TYR A 38 -18.658 -11.703 18.559 1.00 87.73 O
162
+ ATOM 162 CZ TYR A 38 -17.940 -11.242 17.501 1.00 87.73 C
163
+ ATOM 163 N LEU A 39 -14.212 -6.918 13.121 1.00 91.13 N
164
+ ATOM 164 CA LEU A 39 -13.054 -6.405 12.398 1.00 91.13 C
165
+ ATOM 165 C LEU A 39 -11.872 -7.331 12.668 1.00 91.13 C
166
+ ATOM 166 CB LEU A 39 -12.769 -4.960 12.826 1.00 91.13 C
167
+ ATOM 167 O LEU A 39 -11.407 -7.420 13.812 1.00 91.13 O
168
+ ATOM 168 CG LEU A 39 -11.603 -4.308 12.063 1.00 91.13 C
169
+ ATOM 169 CD1 LEU A 39 -11.891 -4.177 10.569 1.00 91.13 C
170
+ ATOM 170 CD2 LEU A 39 -11.356 -2.911 12.632 1.00 91.13 C
171
+ ATOM 171 N LEU A 40 -11.399 -8.018 11.635 1.00 89.73 N
172
+ ATOM 172 CA LEU A 40 -10.320 -8.986 11.764 1.00 89.73 C
173
+ ATOM 173 C LEU A 40 -8.986 -8.405 11.323 1.00 89.73 C
174
+ ATOM 174 CB LEU A 40 -10.632 -10.247 10.959 1.00 89.73 C
175
+ ATOM 175 O LEU A 40 -8.886 -7.767 10.281 1.00 89.73 O
176
+ ATOM 176 CG LEU A 40 -11.940 -10.967 11.321 1.00 89.73 C
177
+ ATOM 177 CD1 LEU A 40 -11.933 -12.306 10.590 1.00 89.73 C
178
+ ATOM 178 CD2 LEU A 40 -12.103 -11.216 12.826 1.00 89.73 C
179
+ ATOM 179 N LYS A 41 -7.950 -8.694 12.110 1.00 88.65 N
180
+ ATOM 180 CA LYS A 41 -6.559 -8.589 11.692 1.00 88.65 C
181
+ ATOM 181 C LYS A 41 -6.129 -9.910 11.090 1.00 88.65 C
182
+ ATOM 182 CB LYS A 41 -5.674 -8.166 12.874 1.00 88.65 C
183
+ ATOM 183 O LYS A 41 -6.088 -10.909 11.805 1.00 88.65 O
184
+ ATOM 184 CG LYS A 41 -4.186 -8.043 12.519 1.00 88.65 C
185
+ ATOM 185 CD LYS A 41 -3.942 -7.056 11.378 1.00 88.65 C
186
+ ATOM 186 CE LYS A 41 -2.458 -6.856 11.100 1.00 88.65 C
187
+ ATOM 187 NZ LYS A 41 -1.835 -8.110 10.626 1.00 88.65 N
188
+ ATOM 188 N TRP A 42 -5.769 -9.913 9.815 1.00 91.09 N
189
+ ATOM 189 CA TRP A 42 -5.306 -11.111 9.120 1.00 91.09 C
190
+ ATOM 190 C TRP A 42 -3.805 -11.332 9.321 1.00 91.09 C
191
+ ATOM 191 CB TRP A 42 -5.695 -11.016 7.648 1.00 91.09 C
192
+ ATOM 192 O TRP A 42 -3.001 -10.390 9.301 1.00 91.09 O
193
+ ATOM 193 CG TRP A 42 -7.146 -10.777 7.414 1.00 91.09 C
194
+ ATOM 194 CD1 TRP A 42 -7.696 -9.639 6.929 1.00 91.09 C
195
+ ATOM 195 CD2 TRP A 42 -8.247 -11.710 7.600 1.00 91.09 C
196
+ ATOM 196 CE2 TRP A 42 -9.445 -11.077 7.158 1.00 91.09 C
197
+ ATOM 197 CE3 TRP A 42 -8.345 -13.044 8.054 1.00 91.09 C
198
+ ATOM 198 NE1 TRP A 42 -9.060 -9.809 6.792 1.00 91.09 N
199
+ ATOM 199 CH2 TRP A 42 -10.729 -13.090 7.521 1.00 91.09 C
200
+ ATOM 200 CZ2 TRP A 42 -10.669 -11.750 7.111 1.00 91.09 C
201
+ ATOM 201 CZ3 TRP A 42 -9.577 -13.725 8.017 1.00 91.09 C
202
+ ATOM 202 N LYS A 43 -3.408 -12.588 9.534 1.00 84.24 N
203
+ ATOM 203 CA LYS A 43 -2.015 -12.969 9.771 1.00 84.24 C
204
+ ATOM 204 C LYS A 43 -1.206 -12.813 8.489 1.00 84.24 C
205
+ ATOM 205 CB LYS A 43 -1.972 -14.406 10.303 1.00 84.24 C
206
+ ATOM 206 O LYS A 43 -1.492 -13.457 7.489 1.00 84.24 O
207
+ ATOM 207 CG LYS A 43 -0.557 -14.820 10.728 1.00 84.24 C
208
+ ATOM 208 CD LYS A 43 -0.590 -16.247 11.275 1.00 84.24 C
209
+ ATOM 209 CE LYS A 43 0.794 -16.666 11.773 1.00 84.24 C
210
+ ATOM 210 NZ LYS A 43 0.738 -18.036 12.338 1.00 84.24 N
211
+ ATOM 211 N GLY A 44 -0.155 -11.999 8.550 1.00 84.83 N
212
+ ATOM 212 CA GLY A 44 0.719 -11.725 7.403 1.00 84.83 C
213
+ ATOM 213 C GLY A 44 0.253 -10.577 6.504 1.00 84.83 C
214
+ ATOM 214 O GLY A 44 1.011 -10.179 5.627 1.00 84.83 O
215
+ ATOM 215 N PHE A 45 -0.926 -10.010 6.763 1.00 79.32 N
216
+ ATOM 216 CA PHE A 45 -1.425 -8.808 6.094 1.00 79.32 C
217
+ ATOM 217 C PHE A 45 -1.252 -7.580 6.990 1.00 79.32 C
218
+ ATOM 218 CB PHE A 45 -2.877 -9.027 5.686 1.00 79.32 C
219
+ ATOM 219 O PHE A 45 -0.921 -7.706 8.174 1.00 79.32 O
220
+ ATOM 220 CG PHE A 45 -3.051 -10.137 4.670 1.00 79.32 C
221
+ ATOM 221 CD1 PHE A 45 -3.063 -9.820 3.300 1.00 79.32 C
222
+ ATOM 222 CD2 PHE A 45 -3.153 -11.481 5.078 1.00 79.32 C
223
+ ATOM 223 CE1 PHE A 45 -3.170 -10.843 2.342 1.00 79.32 C
224
+ ATOM 224 CE2 PHE A 45 -3.253 -12.503 4.120 1.00 79.32 C
225
+ ATOM 225 CZ PHE A 45 -3.261 -12.184 2.751 1.00 79.32 C
226
+ ATOM 226 N SER A 46 -1.421 -6.387 6.436 1.00 81.28 N
227
+ ATOM 227 CA SER A 46 -1.321 -5.140 7.195 1.00 81.28 C
228
+ ATOM 228 C SER A 46 -2.648 -4.805 7.888 1.00 81.28 C
229
+ ATOM 229 CB SER A 46 -0.854 -4.029 6.258 1.00 81.28 C
230
+ ATOM 230 O SER A 46 -3.665 -5.443 7.638 1.00 81.28 O
231
+ ATOM 231 OG SER A 46 -1.899 -3.611 5.416 1.00 81.28 O
232
+ ATOM 232 N ASP A 47 -2.657 -3.799 8.767 1.00 78.48 N
233
+ ATOM 233 CA ASP A 47 -3.906 -3.310 9.372 1.00 78.48 C
234
+ ATOM 234 C ASP A 47 -4.841 -2.629 8.343 1.00 78.48 C
235
+ ATOM 235 CB ASP A 47 -3.605 -2.327 10.523 1.00 78.48 C
236
+ ATOM 236 O ASP A 47 -6.019 -2.411 8.626 1.00 78.48 O
237
+ ATOM 237 CG ASP A 47 -2.975 -2.933 11.786 1.00 78.48 C
238
+ ATOM 238 OD1 ASP A 47 -2.935 -4.173 11.922 1.00 78.48 O
239
+ ATOM 239 OD2 ASP A 47 -2.555 -2.142 12.660 1.00 78.48 O
240
+ ATOM 240 N GLU A 48 -4.325 -2.270 7.161 1.00 79.48 N
241
+ ATOM 241 CA GLU A 48 -5.109 -1.679 6.065 1.00 79.48 C
242
+ ATOM 242 C GLU A 48 -5.996 -2.728 5.381 1.00 79.48 C
243
+ ATOM 243 CB GLU A 48 -4.172 -1.010 5.036 1.00 79.48 C
244
+ ATOM 244 O GLU A 48 -7.055 -2.391 4.859 1.00 79.48 O
245
+ ATOM 245 CG GLU A 48 -3.312 0.117 5.646 1.00 79.48 C
246
+ ATOM 246 CD GLU A 48 -2.298 0.764 4.677 1.00 79.48 C
247
+ ATOM 247 OE1 GLU A 48 -1.611 1.728 5.109 1.00 79.48 O
248
+ ATOM 248 OE2 GLU A 48 -2.114 0.287 3.541 1.00 79.48 O
249
+ ATOM 249 N ASP A 49 -5.597 -4.000 5.457 1.00 81.67 N
250
+ ATOM 250 CA ASP A 49 -6.321 -5.143 4.899 1.00 81.67 C
251
+ ATOM 251 C ASP A 49 -7.386 -5.687 5.866 1.00 81.67 C
252
+ ATOM 252 CB ASP A 49 -5.314 -6.242 4.537 1.00 81.67 C
253
+ ATOM 253 O ASP A 49 -8.009 -6.714 5.604 1.00 81.67 O
254
+ ATOM 254 CG ASP A 49 -4.182 -5.746 3.633 1.00 81.67 C
255
+ ATOM 255 OD1 ASP A 49 -4.467 -5.410 2.466 1.00 81.67 O
256
+ ATOM 256 OD2 ASP A 49 -3.020 -5.704 4.126 1.00 81.67 O
257
+ ATOM 257 N ASN A 50 -7.586 -5.040 7.018 1.00 86.89 N
258
+ ATOM 258 CA ASN A 50 -8.564 -5.487 8.000 1.00 86.89 C
259
+ ATOM 259 C ASN A 50 -9.983 -5.349 7.440 1.00 86.89 C
260
+ ATOM 260 CB ASN A 50 -8.416 -4.688 9.300 1.00 86.89 C
261
+ ATOM 261 O ASN A 50 -10.435 -4.249 7.110 1.00 86.89 O
262
+ ATOM 262 CG ASN A 50 -7.112 -4.925 10.026 1.00 86.89 C
263
+ ATOM 263 ND2 ASN A 50 -6.777 -4.064 10.954 1.00 86.89 N
264
+ ATOM 264 OD1 ASN A 50 -6.370 -5.863 9.807 1.00 86.89 O
265
+ ATOM 265 N THR A 51 -10.722 -6.452 7.413 1.00 89.26 N
266
+ ATOM 266 CA THR A 51 -12.095 -6.494 6.904 1.00 89.26 C
267
+ ATOM 267 C THR A 51 -13.094 -6.791 8.016 1.00 89.26 C
268
+ ATOM 268 CB THR A 51 -12.245 -7.473 5.733 1.00 89.26 C
269
+ ATOM 269 O THR A 51 -12.758 -7.325 9.077 1.00 89.26 O
270
+ ATOM 270 CG2 THR A 51 -11.399 -7.061 4.530 1.00 89.26 C
271
+ ATOM 271 OG1 THR A 51 -11.853 -8.755 6.129 1.00 89.26 O
272
+ ATOM 272 N TRP A 52 -14.337 -6.360 7.796 1.00 92.85 N
273
+ ATOM 273 CA TRP A 52 -15.459 -6.680 8.668 1.00 92.85 C
274
+ ATOM 274 C TRP A 52 -16.107 -7.966 8.178 1.00 92.85 C
275
+ ATOM 275 CB TRP A 52 -16.472 -5.533 8.688 1.00 92.85 C
276
+ ATOM 276 O TRP A 52 -16.850 -7.931 7.200 1.00 92.85 O
277
+ ATOM 277 CG TRP A 52 -16.062 -4.342 9.492 1.00 92.85 C
278
+ ATOM 278 CD1 TRP A 52 -15.423 -3.248 9.024 1.00 92.85 C
279
+ ATOM 279 CD2 TRP A 52 -16.192 -4.149 10.929 1.00 92.85 C
280
+ ATOM 280 CE2 TRP A 52 -15.670 -2.864 11.260 1.00 92.85 C
281
+ ATOM 281 CE3 TRP A 52 -16.664 -4.946 11.990 1.00 92.85 C
282
+ ATOM 282 NE1 TRP A 52 -15.196 -2.365 10.064 1.00 92.85 N
283
+ ATOM 283 CH2 TRP A 52 -16.163 -3.184 13.608 1.00 92.85 C
284
+ ATOM 284 CZ2 TRP A 52 -15.669 -2.371 12.573 1.00 92.85 C
285
+ ATOM 285 CZ3 TRP A 52 -16.626 -4.479 13.317 1.00 92.85 C
286
+ ATOM 286 N GLU A 53 -15.861 -9.060 8.886 1.00 88.62 N
287
+ ATOM 287 CA GLU A 53 -16.419 -10.365 8.548 1.00 88.62 C
288
+ ATOM 288 C GLU A 53 -17.618 -10.687 9.443 1.00 88.62 C
289
+ ATOM 289 CB GLU A 53 -15.348 -11.452 8.652 1.00 88.62 C
290
+ ATOM 290 O GLU A 53 -17.580 -10.428 10.656 1.00 88.62 O
291
+ ATOM 291 CG GLU A 53 -14.184 -11.270 7.668 1.00 88.62 C
292
+ ATOM 292 CD GLU A 53 -14.644 -11.066 6.219 1.00 88.62 C
293
+ ATOM 293 OE1 GLU A 53 -14.054 -10.172 5.563 1.00 88.62 O
294
+ ATOM 294 OE2 GLU A 53 -15.616 -11.747 5.823 1.00 88.62 O
295
+ ATOM 295 N PRO A 54 -18.710 -11.228 8.881 1.00 88.19 N
296
+ ATOM 296 CA PRO A 54 -19.859 -11.624 9.674 1.00 88.19 C
297
+ ATOM 297 C PRO A 54 -19.484 -12.804 10.574 1.00 88.19 C
298
+ ATOM 298 CB PRO A 54 -20.946 -11.948 8.649 1.00 88.19 C
299
+ ATOM 299 O PRO A 54 -18.678 -13.646 10.200 1.00 88.19 O
300
+ ATOM 300 CG PRO A 54 -20.158 -12.469 7.445 1.00 88.19 C
301
+ ATOM 301 CD PRO A 54 -18.879 -11.629 7.487 1.00 88.19 C
302
+ ATOM 302 N GLU A 55 -20.102 -12.895 11.754 1.00 86.52 N
303
+ ATOM 303 CA GLU A 55 -19.836 -13.977 12.721 1.00 86.52 C
304
+ ATOM 304 C GLU A 55 -19.974 -15.382 12.102 1.00 86.52 C
305
+ ATOM 305 CB GLU A 55 -20.792 -13.796 13.916 1.00 86.52 C
306
+ ATOM 306 O GLU A 55 -19.265 -16.300 12.496 1.00 86.52 O
307
+ ATOM 307 CG GLU A 55 -20.559 -14.776 15.083 1.00 86.52 C
308
+ ATOM 308 CD GLU A 55 -21.477 -14.520 16.298 1.00 86.52 C
309
+ ATOM 309 OE1 GLU A 55 -21.323 -15.232 17.318 1.00 86.52 O
310
+ ATOM 310 OE2 GLU A 55 -22.325 -13.594 16.245 1.00 86.52 O
311
+ ATOM 311 N GLU A 56 -20.841 -15.533 11.095 1.00 87.64 N
312
+ ATOM 312 CA GLU A 56 -21.049 -16.786 10.357 1.00 87.64 C
313
+ ATOM 313 C GLU A 56 -19.845 -17.231 9.500 1.00 87.64 C
314
+ ATOM 314 CB GLU A 56 -22.371 -16.698 9.555 1.00 87.64 C
315
+ ATOM 315 O GLU A 56 -19.740 -18.420 9.218 1.00 87.64 O
316
+ ATOM 316 CG GLU A 56 -22.390 -15.685 8.387 1.00 87.64 C
317
+ ATOM 317 CD GLU A 56 -23.809 -15.301 7.888 1.00 87.64 C
318
+ ATOM 318 OE1 GLU A 56 -23.990 -14.210 7.284 1.00 87.64 O
319
+ ATOM 319 OE2 GLU A 56 -24.808 -15.996 8.183 1.00 87.64 O
320
+ ATOM 320 N ASN A 57 -18.922 -16.323 9.154 1.00 84.99 N
321
+ ATOM 321 CA ASN A 57 -17.693 -16.608 8.396 1.00 84.99 C
322
+ ATOM 322 C ASN A 57 -16.472 -16.895 9.289 1.00 84.99 C
323
+ ATOM 323 CB ASN A 57 -17.398 -15.436 7.431 1.00 84.99 C
324
+ ATOM 324 O ASN A 57 -15.368 -17.090 8.784 1.00 84.99 O
325
+ ATOM 325 CG ASN A 57 -17.726 -15.792 5.995 1.00 84.99 C
326
+ ATOM 326 ND2 ASN A 57 -16.768 -15.735 5.102 1.00 84.99 N
327
+ ATOM 327 OD1 ASN A 57 -18.854 -16.120 5.669 1.00 84.99 O
328
+ ATOM 328 N LEU A 58 -16.622 -16.861 10.618 1.00 84.51 N
329
+ ATOM 329 CA LEU A 58 -15.490 -16.921 11.540 1.00 84.51 C
330
+ ATOM 330 C LEU A 58 -15.327 -18.304 12.165 1.00 84.51 C
331
+ ATOM 331 CB LEU A 58 -15.645 -15.855 12.636 1.00 84.51 C
332
+ ATOM 332 O LEU A 58 -16.100 -18.682 13.042 1.00 84.51 O
333
+ ATOM 333 CG LEU A 58 -15.760 -14.425 12.109 1.00 84.51 C
334
+ ATOM 334 CD1 LEU A 58 -15.851 -13.444 13.272 1.00 84.51 C
335
+ ATOM 335 CD2 LEU A 58 -14.554 -14.039 11.273 1.00 84.51 C
336
+ ATOM 336 N ASP A 59 -14.229 -18.986 11.837 1.00 83.90 N
337
+ ATOM 337 CA ASP A 59 -13.791 -20.202 12.540 1.00 83.90 C
338
+ ATOM 338 C ASP A 59 -12.655 -19.913 13.545 1.00 83.90 C
339
+ ATOM 339 CB ASP A 59 -13.491 -21.338 11.548 1.00 83.90 C
340
+ ATOM 340 O ASP A 59 -11.582 -20.512 13.536 1.00 83.90 O
341
+ ATOM 341 CG ASP A 59 -13.443 -22.709 12.247 1.00 83.90 C
342
+ ATOM 342 OD1 ASP A 59 -14.054 -22.843 13.338 1.00 83.90 O
343
+ ATOM 343 OD2 ASP A 59 -12.811 -23.635 11.696 1.00 83.90 O
344
+ ATOM 344 N CYS A 60 -12.850 -18.906 14.408 1.00 84.08 N
345
+ ATOM 345 CA CYS A 60 -11.880 -18.531 15.450 1.00 84.08 C
346
+ ATOM 346 C CYS A 60 -12.537 -18.213 16.813 1.00 84.08 C
347
+ ATOM 347 CB CYS A 60 -10.942 -17.430 14.929 1.00 84.08 C
348
+ ATOM 348 O CYS A 60 -12.394 -17.106 17.348 1.00 84.08 O
349
+ ATOM 349 SG CYS A 60 -11.849 -15.943 14.411 1.00 84.08 S
350
+ ATOM 350 N PRO A 61 -13.240 -19.184 17.428 1.00 87.08 N
351
+ ATOM 351 CA PRO A 61 -13.996 -18.967 18.664 1.00 87.08 C
352
+ ATOM 352 C PRO A 61 -13.131 -18.470 19.832 1.00 87.08 C
353
+ ATOM 353 CB PRO A 61 -14.644 -20.321 18.978 1.00 87.08 C
354
+ ATOM 354 O PRO A 61 -13.599 -17.656 20.630 1.00 87.08 O
355
+ ATOM 355 CG PRO A 61 -13.746 -21.338 18.272 1.00 87.08 C
356
+ ATOM 356 CD PRO A 61 -13.314 -20.582 17.021 1.00 87.08 C
357
+ ATOM 357 N ASP A 62 -11.869 -18.902 19.916 1.00 85.72 N
358
+ ATOM 358 CA ASP A 62 -10.952 -18.504 20.990 1.00 85.72 C
359
+ ATOM 359 C ASP A 62 -10.622 -17.001 20.949 1.00 85.72 C
360
+ ATOM 360 CB ASP A 62 -9.664 -19.342 20.913 1.00 85.72 C
361
+ ATOM 361 O ASP A 62 -10.698 -16.321 21.975 1.00 85.72 O
362
+ ATOM 362 CG ASP A 62 -9.872 -20.825 21.246 1.00 85.72 C
363
+ ATOM 363 OD1 ASP A 62 -10.747 -21.123 22.091 1.00 85.72 O
364
+ ATOM 364 OD2 ASP A 62 -9.127 -21.647 20.672 1.00 85.72 O
365
+ ATOM 365 N LEU A 63 -10.332 -16.453 19.759 1.00 87.28 N
366
+ ATOM 366 CA LEU A 63 -10.021 -15.027 19.584 1.00 87.28 C
367
+ ATOM 367 C LEU A 63 -11.246 -14.147 19.851 1.00 87.28 C
368
+ ATOM 368 CB LEU A 63 -9.498 -14.765 18.158 1.00 87.28 C
369
+ ATOM 369 O LEU A 63 -11.137 -13.084 20.468 1.00 87.28 O
370
+ ATOM 370 CG LEU A 63 -8.142 -15.406 17.816 1.00 87.28 C
371
+ ATOM 371 CD1 LEU A 63 -7.790 -15.078 16.365 1.00 87.28 C
372
+ ATOM 372 CD2 LEU A 63 -7.012 -14.873 18.699 1.00 87.28 C
373
+ ATOM 373 N ILE A 64 -12.427 -14.603 19.424 1.00 87.14 N
374
+ ATOM 374 CA ILE A 64 -13.693 -13.918 19.702 1.00 87.14 C
375
+ ATOM 375 C ILE A 64 -13.981 -13.933 21.206 1.00 87.14 C
376
+ ATOM 376 CB ILE A 64 -14.843 -14.559 18.895 1.00 87.14 C
377
+ ATOM 377 O ILE A 64 -14.361 -12.905 21.773 1.00 87.14 O
378
+ ATOM 378 CG1 ILE A 64 -14.605 -14.386 17.378 1.00 87.14 C
379
+ ATOM 379 CG2 ILE A 64 -16.189 -13.927 19.302 1.00 87.14 C
380
+ ATOM 380 CD1 ILE A 64 -15.571 -15.208 16.519 1.00 87.14 C
381
+ ATOM 381 N ALA A 65 -13.783 -15.070 21.878 1.00 88.46 N
382
+ ATOM 382 CA ALA A 65 -13.995 -15.191 23.315 1.00 88.46 C
383
+ ATOM 383 C ALA A 65 -13.058 -14.269 24.108 1.00 88.46 C
384
+ ATOM 384 CB ALA A 65 -13.828 -16.658 23.724 1.00 88.46 C
385
+ ATOM 385 O ALA A 65 -13.526 -13.572 25.014 1.00 88.46 O
386
+ ATOM 386 N GLU A 66 -11.772 -14.215 23.749 1.00 85.60 N
387
+ ATOM 387 CA GLU A 66 -10.797 -13.297 24.351 1.00 85.60 C
388
+ ATOM 388 C GLU A 66 -11.224 -11.833 24.155 1.00 85.60 C
389
+ ATOM 389 CB GLU A 66 -9.404 -13.557 23.747 1.00 85.60 C
390
+ ATOM 390 O GLU A 66 -11.284 -11.055 25.116 1.00 85.60 O
391
+ ATOM 391 CG GLU A 66 -8.315 -12.764 24.490 1.00 85.60 C
392
+ ATOM 392 CD GLU A 66 -6.909 -12.888 23.877 1.00 85.60 C
393
+ ATOM 393 OE1 GLU A 66 -6.046 -12.068 24.277 1.00 85.60 O
394
+ ATOM 394 OE2 GLU A 66 -6.693 -13.764 23.014 1.00 85.60 O
395
+ ATOM 395 N PHE A 67 -11.618 -11.471 22.930 1.00 86.86 N
396
+ ATOM 396 CA PHE A 67 -12.106 -10.131 22.617 1.00 86.86 C
397
+ ATOM 397 C PHE A 67 -13.344 -9.765 23.453 1.00 86.86 C
398
+ ATOM 398 CB PHE A 67 -12.374 -10.024 21.111 1.00 86.86 C
399
+ ATOM 399 O PHE A 67 -13.361 -8.727 24.120 1.00 86.86 O
400
+ ATOM 400 CG PHE A 67 -12.972 -8.690 20.727 1.00 86.86 C
401
+ ATOM 401 CD1 PHE A 67 -14.366 -8.555 20.603 1.00 86.86 C
402
+ ATOM 402 CD2 PHE A 67 -12.142 -7.565 20.572 1.00 86.86 C
403
+ ATOM 403 CE1 PHE A 67 -14.928 -7.292 20.354 1.00 86.86 C
404
+ ATOM 404 CE2 PHE A 67 -12.707 -6.306 20.309 1.00 86.86 C
405
+ ATOM 405 CZ PHE A 67 -14.100 -6.168 20.204 1.00 86.86 C
406
+ ATOM 406 N LEU A 68 -14.361 -10.630 23.503 1.00 85.81 N
407
+ ATOM 407 CA LEU A 68 -15.589 -10.383 24.267 1.00 85.81 C
408
+ ATOM 408 C LEU A 68 -15.342 -10.295 25.780 1.00 85.81 C
409
+ ATOM 409 CB LEU A 68 -16.609 -11.496 23.973 1.00 85.81 C
410
+ ATOM 410 O LEU A 68 -16.010 -9.510 26.460 1.00 85.81 O
411
+ ATOM 411 CG LEU A 68 -17.211 -11.484 22.557 1.00 85.81 C
412
+ ATOM 412 CD1 LEU A 68 -18.149 -12.683 22.415 1.00 85.81 C
413
+ ATOM 413 CD2 LEU A 68 -18.020 -10.217 22.275 1.00 85.81 C
414
+ ATOM 414 N GLN A 69 -14.401 -11.075 26.319 1.00 85.53 N
415
+ ATOM 415 CA GLN A 69 -14.001 -10.975 27.726 1.00 85.53 C
416
+ ATOM 416 C GLN A 69 -13.377 -9.608 28.023 1.00 85.53 C
417
+ ATOM 417 CB GLN A 69 -13.029 -12.107 28.086 1.00 85.53 C
418
+ ATOM 418 O GLN A 69 -13.786 -8.956 28.986 1.00 85.53 O
419
+ ATOM 419 CG GLN A 69 -13.747 -13.454 28.248 1.00 85.53 C
420
+ ATOM 420 CD GLN A 69 -12.764 -14.596 28.480 1.00 85.53 C
421
+ ATOM 421 NE2 GLN A 69 -12.996 -15.758 27.913 1.00 85.53 N
422
+ ATOM 422 OE1 GLN A 69 -11.790 -14.476 29.200 1.00 85.53 O
423
+ ATOM 423 N SER A 70 -12.478 -9.132 27.156 1.00 81.21 N
424
+ ATOM 424 CA SER A 70 -11.841 -7.818 27.318 1.00 81.21 C
425
+ ATOM 425 C SER A 70 -12.852 -6.657 27.282 1.00 81.21 C
426
+ ATOM 426 CB SER A 70 -10.729 -7.644 26.274 1.00 81.21 C
427
+ ATOM 427 O SER A 70 -12.757 -5.719 28.078 1.00 81.21 O
428
+ ATOM 428 OG SER A 70 -11.226 -7.342 24.985 1.00 81.21 O
429
+ ATOM 429 N GLN A 71 -13.890 -6.762 26.442 1.00 77.73 N
430
+ ATOM 430 CA GLN A 71 -14.962 -5.764 26.337 1.00 77.73 C
431
+ ATOM 431 C GLN A 71 -15.856 -5.717 27.586 1.00 77.73 C
432
+ ATOM 432 CB GLN A 71 -15.806 -6.064 25.086 1.00 77.73 C
433
+ ATOM 433 O GLN A 71 -16.263 -4.638 28.019 1.00 77.73 O
434
+ ATOM 434 CG GLN A 71 -15.059 -5.773 23.774 1.00 77.73 C
435
+ ATOM 435 CD GLN A 71 -14.788 -4.287 23.573 1.00 77.73 C
436
+ ATOM 436 NE2 GLN A 71 -13.589 -3.908 23.199 1.00 77.73 N
437
+ ATOM 437 OE1 GLN A 71 -15.654 -3.449 23.758 1.00 77.73 O
438
+ ATOM 438 N LYS A 72 -16.146 -6.869 28.209 1.00 74.98 N
439
+ ATOM 439 CA LYS A 72 -16.955 -6.918 29.442 1.00 74.98 C
440
+ ATOM 440 C LYS A 72 -16.254 -6.218 30.603 1.00 74.98 C
441
+ ATOM 441 CB LYS A 72 -17.292 -8.366 29.814 1.00 74.98 C
442
+ ATOM 442 O LYS A 72 -16.881 -5.412 31.285 1.00 74.98 O
443
+ ATOM 443 CG LYS A 72 -18.366 -8.953 28.889 1.00 74.98 C
444
+ ATOM 444 CD LYS A 72 -18.581 -10.433 29.217 1.00 74.98 C
445
+ ATOM 445 CE LYS A 72 -19.616 -11.040 28.267 1.00 74.98 C
446
+ ATOM 446 NZ LYS A 72 -19.810 -12.486 28.541 1.00 74.98 N
447
+ TER 447 LYS A 72
448
+ END
6d07/6d07_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,148 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+
2
+ RDKit 3D
3
+
4
+ 71 70 0 0 0 0 0 0 0 0999 V2000
5
+ -12.2371 -15.7770 9.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
6
+ -12.0155 -17.1627 8.9718 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ -10.7446 -17.7433 9.3769 N 0 0 0 0 0 0 0 0 0 0 0 0
8
+ -10.5669 -18.3082 10.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
9
+ -11.4096 -18.2679 11.4674 O 0 0 0 0 0 0 0 0 0 0 0 0
10
+ -9.2370 -19.0274 10.7452 C 0 0 0 0 0 0 0 0 0 0 0 0
11
+ -9.0813 -19.4573 12.1257 N 0 0 0 0 0 0 0 0 0 0 0 0
12
+ -8.0324 -19.1198 12.8665 C 0 0 0 0 0 0 0 0 0 0 0 0
13
+ -7.1158 -18.4059 12.4448 O 0 0 0 0 0 0 0 0 0 0 0 0
14
+ -7.9970 -19.6676 14.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
15
+ -7.7082 -18.5612 15.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
16
+ -7.4045 -19.0695 16.7043 C 0 0 0 0 0 0 0 0 0 0 0 0
17
+ -8.5805 -19.7931 17.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
18
+ -8.4932 -21.1175 17.4101 N 0 0 0 0 0 0 0 0 0 0 0 0
19
+ -9.5558 -19.1691 17.7493 O 0 0 0 0 0 0 0 0 0 0 0 0
20
+ -6.9726 -20.7023 14.3595 N 0 0 0 0 0 0 0 0 0 0 0 0
21
+ -7.2272 -21.9809 14.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
22
+ -8.3418 -22.3928 13.7876 O 0 0 0 0 0 0 0 0 0 0 0 0
23
+ -6.0409 -22.9334 14.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
24
+ -6.4565 -24.2612 14.6447 N 0 0 0 0 0 0 0 0 0 0 0 0
25
+ -5.3079 -23.0195 12.8645 C 0 0 0 0 0 0 0 0 0 0 0 0
26
+ -5.6970 -24.2205 12.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
27
+ -4.8890 -24.2710 10.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
28
+ -5.0778 -25.5946 10.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
29
+ -4.5802 -26.7433 10.8192 N 0 0 0 0 0 0 0 0 0 0 0 0
30
+ -9.1644 -20.2156 9.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
31
+ -7.8802 -21.0135 9.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
32
+ -10.2976 -21.0667 9.9884 O 0 0 0 0 0 0 0 0 0 0 0 0
33
+ -12.0425 -17.0841 7.4543 C 0 0 0 0 0 0 0 0 0 0 0 0
34
+ -10.9987 -17.0550 6.7964 O 0 0 0 0 0 0 0 0 0 0 0 0
35
+ -13.2502 -17.0620 6.9073 N 0 0 0 0 0 0 0 0 0 0 0 0
36
+ -13.4194 -16.8519 5.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
37
+ -14.6332 -17.6192 4.9483 C 0 0 0 0 0 0 0 0 0 0 0 0
38
+ -14.4148 -19.1231 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
39
+ -15.6522 -19.8501 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
40
+ -16.7947 -19.6506 5.2714 N 0 0 0 0 0 0 0 0 0 0 0 0
41
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42
+ -16.1993 -21.3536 6.6960 N 0 0 0 0 0 0 0 0 0 0 0 0
43
+ -18.1004 -20.1328 7.1047 N 0 0 0 0 0 0 0 0 0 0 0 0
44
+ -13.5556 -15.3608 5.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
45
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46
+ -12.7544 -14.8649 4.2672 N 0 0 0 0 0 0 0 0 0 0 0 0
47
+ -12.8021 -13.4756 3.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
48
+ -11.4218 -12.9410 3.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
49
+ -11.3997 -11.4301 3.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
50
+ -10.1895 -10.9378 2.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
51
+ -8.9353 -11.3567 3.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
52
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53
+ -7.5736 -9.3057 3.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
54
+ -7.2836 -11.2168 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
55
+ -6.5587 -11.3509 3.8683 C 0 0 0 0 0 0 0 0 0 0 0 0
56
+ -13.7716 -13.2467 2.7375 C 0 0 0 0 0 0 0 0 0 0 0 0
57
+ -13.7055 -13.8598 1.6699 O 0 0 0 0 0 0 0 0 0 0 0 0
58
+ -14.7127 -12.3366 2.9754 N 0 0 0 0 0 0 0 0 0 0 0 0
59
+ -15.7480 -12.0279 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0
60
+ -16.7547 -11.0289 2.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
61
+ -17.4566 -11.5909 3.6656 O 0 0 0 0 0 0 0 0 0 0 0 0
62
+ -15.1300 -11.4834 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
63
+ -14.3450 -10.5367 0.7428 O 0 0 0 0 0 0 0 0 0 0 0 0
64
+ -15.4908 -12.0961 -0.4129 N 0 0 0 0 0 0 0 0 0 0 0 0
65
+ -14.8955 -11.7773 -1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
66
+ -15.7338 -10.7430 -2.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
67
+ -16.9615 -10.8496 -2.5077 O 0 0 0 0 0 0 0 0 0 0 0 0
68
+ -15.0610 -9.7427 -3.0028 N 0 0 0 0 0 0 0 0 0 0 0 0
69
+ -15.7306 -8.6881 -3.7414 C 0 0 0 0 0 0 0 0 0 0 0 0
70
+ -16.1729 -7.5342 -2.8629 C 0 0 0 0 0 0 0 0 0 0 0 0
71
+ -15.9816 -7.5605 -1.6475 O 0 0 0 0 0 0 0 0 0 0 0 0
72
+ -16.7310 -6.5510 -3.3504 O 0 0 0 0 0 0 0 0 0 0 0 0
73
+ -14.7568 -13.0423 -2.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
74
+ -13.9653 -12.7503 -3.8278 C 0 0 0 0 0 0 0 0 0 0 0 0
75
+ -14.0829 -14.0587 -1.7963 O 0 0 0 0 0 0 0 0 0 0 0 0
76
+ 20 19 1 0
77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
+ 45 46 1 0
122
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123
+ 47 48 1 0
124
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125
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126
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127
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128
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129
+ 54 55 1 0
130
+ 55 58 1 0
131
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132
+ 58 59 2 0
133
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134
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135
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136
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137
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138
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139
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140
+ 69 71 1 0
141
+ 69 70 1 0
142
+ 64 65 1 0
143
+ 65 66 1 0
144
+ 66 67 2 0
145
+ 66 68 1 0
146
+ M CHG 3 20 1 25 1 48 1
147
+ M END
148
+ $$$$
6d07/6d07_af2_holo_protein.pdb ADDED
@@ -0,0 +1,540 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N GLU A 20 -10.132 -18.845 2.731 1.00 0.00 N
2
+ ATOM 2 H GLU A 20 -9.677 -19.579 2.150 1.00 0.00 H
3
+ ATOM 3 CA GLU A 20 -10.028 -18.953 4.180 1.00 0.00 C
4
+ ATOM 4 C GLU A 20 -8.613 -18.575 4.597 1.00 0.00 C
5
+ ATOM 5 O GLU A 20 -7.642 -19.068 4.012 1.00 0.00 O
6
+ ATOM 6 CB GLU A 20 -10.369 -20.371 4.644 1.00 0.00 C
7
+ ATOM 7 CG GLU A 20 -10.052 -20.666 6.102 1.00 0.00 C
8
+ ATOM 8 CD GLU A 20 -10.498 -22.056 6.521 1.00 0.00 C
9
+ ATOM 9 OE1 GLU A 20 -11.721 -22.280 6.656 1.00 0.00 O
10
+ ATOM 10 OE2 GLU A 20 -9.625 -22.933 6.703 1.00 0.00 O
11
+ ATOM 11 N TYR A 21 -8.501 -17.698 5.593 1.00 0.00 N
12
+ ATOM 12 H TYR A 21 -9.364 -17.372 6.073 1.00 0.00 H
13
+ ATOM 13 CA TYR A 21 -7.215 -17.180 6.037 1.00 0.00 C
14
+ ATOM 14 C TYR A 21 -7.114 -17.257 7.555 1.00 0.00 C
15
+ ATOM 15 O TYR A 21 -8.121 -17.287 8.266 1.00 0.00 O
16
+ ATOM 16 CB TYR A 21 -7.001 -15.725 5.581 1.00 0.00 C
17
+ ATOM 17 CG TYR A 21 -7.065 -15.515 4.085 1.00 0.00 C
18
+ ATOM 18 CD1 TYR A 21 -8.275 -15.257 3.452 1.00 0.00 C
19
+ ATOM 19 CD2 TYR A 21 -5.915 -15.560 3.305 1.00 0.00 C
20
+ ATOM 20 CE1 TYR A 21 -8.339 -15.058 2.087 1.00 0.00 C
21
+ ATOM 21 CE2 TYR A 21 -5.970 -15.360 1.933 1.00 0.00 C
22
+ ATOM 22 CZ TYR A 21 -7.186 -15.110 1.332 1.00 0.00 C
23
+ ATOM 23 OH TYR A 21 -7.254 -14.911 -0.028 1.00 0.00 O
24
+ ATOM 24 HH TYR A 21 -8.195 -14.746 -0.289 1.00 0.00 H
25
+ ATOM 25 N VAL A 22 -5.875 -17.280 8.042 1.00 0.00 N
26
+ ATOM 26 H VAL A 22 -5.074 -17.290 7.380 1.00 0.00 H
27
+ ATOM 27 CA VAL A 22 -5.605 -17.292 9.477 1.00 0.00 C
28
+ ATOM 28 C VAL A 22 -5.783 -15.886 10.032 1.00 0.00 C
29
+ ATOM 29 O VAL A 22 -5.333 -14.902 9.433 1.00 0.00 O
30
+ ATOM 30 CB VAL A 22 -4.189 -17.828 9.754 1.00 0.00 C
31
+ ATOM 31 CG1 VAL A 22 -3.867 -17.750 11.239 1.00 0.00 C
32
+ ATOM 32 CG2 VAL A 22 -4.050 -19.258 9.252 1.00 0.00 C
33
+ ATOM 33 N VAL A 23 -6.446 -15.786 11.181 1.00 0.00 N
34
+ ATOM 34 H VAL A 23 -6.782 -16.658 11.636 1.00 0.00 H
35
+ ATOM 35 CA VAL A 23 -6.722 -14.509 11.831 1.00 0.00 C
36
+ ATOM 36 C VAL A 23 -5.751 -14.317 12.987 1.00 0.00 C
37
+ ATOM 37 O VAL A 23 -5.507 -15.246 13.765 1.00 0.00 O
38
+ ATOM 38 CB VAL A 23 -8.181 -14.447 12.320 1.00 0.00 C
39
+ ATOM 39 CG1 VAL A 23 -8.446 -13.142 13.054 1.00 0.00 C
40
+ ATOM 40 CG2 VAL A 23 -9.141 -14.618 11.150 1.00 0.00 C
41
+ ATOM 41 N GLU A 24 -5.189 -13.109 13.097 1.00 0.00 N
42
+ ATOM 42 H GLU A 24 -5.368 -12.395 12.362 1.00 0.00 H
43
+ ATOM 43 CA GLU A 24 -4.331 -12.771 14.228 1.00 0.00 C
44
+ ATOM 44 C GLU A 24 -5.153 -12.403 15.455 1.00 0.00 C
45
+ ATOM 45 O GLU A 24 -4.902 -12.902 16.557 1.00 0.00 O
46
+ ATOM 46 CB GLU A 24 -3.413 -11.598 13.875 1.00 0.00 C
47
+ ATOM 47 CG GLU A 24 -2.626 -11.759 12.608 1.00 0.00 C
48
+ ATOM 48 CD GLU A 24 -1.300 -12.452 12.826 1.00 0.00 C
49
+ ATOM 49 OE1 GLU A 24 -0.261 -11.762 12.806 1.00 0.00 O
50
+ ATOM 50 OE2 GLU A 24 -1.300 -13.683 13.023 1.00 0.00 O
51
+ ATOM 51 N LYS A 25 -6.125 -11.513 15.280 1.00 0.00 N
52
+ ATOM 52 H LYS A 25 -6.387 -11.228 14.314 1.00 0.00 H
53
+ ATOM 53 CA LYS A 25 -6.831 -10.929 16.407 1.00 0.00 C
54
+ ATOM 54 C LYS A 25 -8.169 -10.390 15.926 1.00 0.00 C
55
+ ATOM 55 O LYS A 25 -8.299 -9.949 14.781 1.00 0.00 O
56
+ ATOM 56 CB LYS A 25 -5.996 -9.812 17.048 1.00 0.00 C
57
+ ATOM 57 CG LYS A 25 -6.499 -9.326 18.398 1.00 0.00 C
58
+ ATOM 58 CD LYS A 25 -5.638 -8.186 18.919 1.00 0.00 C
59
+ ATOM 59 CE LYS A 25 -6.159 -7.655 20.245 1.00 0.00 C
60
+ ATOM 60 NZ LYS A 25 -5.289 -6.575 20.785 1.00 0.00 N
61
+ ATOM 61 HZ1 LYS A 25 -4.329 -6.947 20.935 1.00 0.00 H
62
+ ATOM 62 HZ2 LYS A 25 -5.255 -5.788 20.106 1.00 0.00 H
63
+ ATOM 63 HZ3 LYS A 25 -5.676 -6.238 21.690 1.00 0.00 H
64
+ ATOM 64 N VAL A 26 -9.161 -10.448 16.806 1.00 0.00 N
65
+ ATOM 65 H VAL A 26 -9.022 -10.990 17.683 1.00 0.00 H
66
+ ATOM 66 CA VAL A 26 -10.438 -9.780 16.591 1.00 0.00 C
67
+ ATOM 67 C VAL A 26 -10.332 -8.388 17.199 1.00 0.00 C
68
+ ATOM 68 O VAL A 26 -10.167 -8.245 18.416 1.00 0.00 O
69
+ ATOM 69 CB VAL A 26 -11.598 -10.571 17.213 1.00 0.00 C
70
+ ATOM 70 CG1 VAL A 26 -12.896 -9.788 17.096 1.00 0.00 C
71
+ ATOM 71 CG2 VAL A 26 -11.729 -11.939 16.556 1.00 0.00 C
72
+ ATOM 72 N LEU A 27 -10.418 -7.359 16.356 1.00 0.00 N
73
+ ATOM 73 H LEU A 27 -10.680 -7.531 15.364 1.00 0.00 H
74
+ ATOM 74 CA LEU A 27 -10.152 -5.997 16.800 1.00 0.00 C
75
+ ATOM 75 C LEU A 27 -11.394 -5.271 17.295 1.00 0.00 C
76
+ ATOM 76 O LEU A 27 -11.288 -4.432 18.197 1.00 0.00 O
77
+ ATOM 77 CB LEU A 27 -9.516 -5.190 15.668 1.00 0.00 C
78
+ ATOM 78 CG LEU A 27 -8.222 -5.744 15.080 1.00 0.00 C
79
+ ATOM 79 CD1 LEU A 27 -7.808 -4.917 13.877 1.00 0.00 C
80
+ ATOM 80 CD2 LEU A 27 -7.116 -5.771 16.124 1.00 0.00 C
81
+ ATOM 81 N ASP A 28 -12.563 -5.555 16.728 1.00 0.00 N
82
+ ATOM 82 H ASP A 28 -12.614 -6.289 15.994 1.00 0.00 H
83
+ ATOM 83 CA ASP A 28 -13.772 -4.848 17.126 1.00 0.00 C
84
+ ATOM 84 C ASP A 28 -14.985 -5.665 16.707 1.00 0.00 C
85
+ ATOM 85 O ASP A 28 -14.872 -6.674 16.005 1.00 0.00 O
86
+ ATOM 86 CB ASP A 28 -13.819 -3.439 16.521 1.00 0.00 C
87
+ ATOM 87 CG ASP A 28 -14.740 -2.504 17.289 1.00 0.00 C
88
+ ATOM 88 OD1 ASP A 28 -15.329 -2.941 18.302 1.00 0.00 O
89
+ ATOM 89 OD2 ASP A 28 -14.873 -1.331 16.883 1.00 0.00 O
90
+ ATOM 90 N ARG A 29 -16.153 -5.204 17.149 1.00 0.00 N
91
+ ATOM 91 H ARG A 29 -16.154 -4.350 17.743 1.00 0.00 H
92
+ ATOM 92 CA ARG A 29 -17.428 -5.835 16.844 1.00 0.00 C
93
+ ATOM 93 C ARG A 29 -18.463 -4.746 16.629 1.00 0.00 C
94
+ ATOM 94 O ARG A 29 -18.420 -3.705 17.290 1.00 0.00 O
95
+ ATOM 95 CB ARG A 29 -17.874 -6.770 17.978 1.00 0.00 C
96
+ ATOM 96 CG ARG A 29 -19.134 -7.565 17.692 1.00 0.00 C
97
+ ATOM 97 CD ARG A 29 -19.719 -8.145 18.972 1.00 0.00 C
98
+ ATOM 98 NE ARG A 29 -20.255 -7.097 19.835 1.00 0.00 N
99
+ ATOM 99 HE ARG A 29 -20.171 -6.112 19.512 1.00 0.00 H
100
+ ATOM 100 CZ ARG A 29 -20.843 -7.318 21.006 1.00 0.00 C
101
+ ATOM 101 NH1 ARG A 29 -20.972 -8.556 21.464 1.00 0.00 N
102
+ ATOM 102 HH11 ARG A 29 -20.612 -9.356 20.906 1.00 0.00 H
103
+ ATOM 103 HH12 ARG A 29 -21.432 -8.726 22.381 1.00 0.00 H
104
+ ATOM 104 NH2 ARG A 29 -21.302 -6.299 21.720 1.00 0.00 N
105
+ ATOM 105 HH21 ARG A 29 -21.202 -5.327 21.364 1.00 0.00 H
106
+ ATOM 106 HH22 ARG A 29 -21.761 -6.471 22.637 1.00 0.00 H
107
+ ATOM 107 N ARG A 30 -19.386 -4.977 15.698 1.00 0.00 N
108
+ ATOM 108 H ARG A 30 -19.319 -5.834 15.114 1.00 0.00 H
109
+ ATOM 109 CA ARG A 30 -20.485 -4.050 15.484 1.00 0.00 C
110
+ ATOM 110 C ARG A 30 -21.756 -4.834 15.192 1.00 0.00 C
111
+ ATOM 111 O ARG A 30 -21.721 -5.987 14.752 1.00 0.00 O
112
+ ATOM 112 CB ARG A 30 -20.191 -3.063 14.347 1.00 0.00 C
113
+ ATOM 113 CG ARG A 30 -20.228 -3.666 12.955 1.00 0.00 C
114
+ ATOM 114 CD ARG A 30 -19.809 -2.633 11.914 1.00 0.00 C
115
+ ATOM 115 NE ARG A 30 -19.666 -3.216 10.584 1.00 0.00 N
116
+ ATOM 116 HE ARG A 30 -20.037 -4.175 10.430 1.00 0.00 H
117
+ ATOM 117 CZ ARG A 30 -19.090 -2.598 9.559 1.00 0.00 C
118
+ ATOM 118 NH1 ARG A 30 -18.599 -1.375 9.713 1.00 0.00 N
119
+ ATOM 119 HH11 ARG A 30 -18.664 -0.902 10.637 1.00 0.00 H
120
+ ATOM 120 HH12 ARG A 30 -18.148 -0.891 8.911 1.00 0.00 H
121
+ ATOM 121 NH2 ARG A 30 -19.003 -3.202 8.379 1.00 0.00 N
122
+ ATOM 122 HH21 ARG A 30 -19.386 -4.161 8.257 1.00 0.00 H
123
+ ATOM 123 HH22 ARG A 30 -18.553 -2.716 7.578 1.00 0.00 H
124
+ ATOM 124 N VAL A 31 -22.887 -4.186 15.445 1.00 0.00 N
125
+ ATOM 125 H VAL A 31 -22.830 -3.207 15.792 1.00 0.00 H
126
+ ATOM 126 CA VAL A 31 -24.203 -4.782 15.260 1.00 0.00 C
127
+ ATOM 127 C VAL A 31 -24.944 -3.936 14.237 1.00 0.00 C
128
+ ATOM 128 O VAL A 31 -25.256 -2.767 14.496 1.00 0.00 O
129
+ ATOM 129 CB VAL A 31 -24.981 -4.868 16.578 1.00 0.00 C
130
+ ATOM 130 CG1 VAL A 31 -26.423 -5.216 16.300 1.00 0.00 C
131
+ ATOM 131 CG2 VAL A 31 -24.340 -5.891 17.504 1.00 0.00 C
132
+ ATOM 132 N VAL A 32 -25.216 -4.518 13.070 1.00 0.00 N
133
+ ATOM 133 H VAL A 32 -24.959 -5.517 12.943 1.00 0.00 H
134
+ ATOM 134 CA VAL A 32 -25.857 -3.818 11.964 1.00 0.00 C
135
+ ATOM 135 C VAL A 32 -26.968 -4.698 11.412 1.00 0.00 C
136
+ ATOM 136 O VAL A 32 -26.739 -5.873 11.105 1.00 0.00 O
137
+ ATOM 137 CB VAL A 32 -24.856 -3.460 10.850 1.00 0.00 C
138
+ ATOM 138 CG1 VAL A 32 -25.572 -2.768 9.705 1.00 0.00 C
139
+ ATOM 139 CG2 VAL A 32 -23.730 -2.580 11.393 1.00 0.00 C
140
+ ATOM 140 N LYS A 33 -28.165 -4.128 11.285 1.00 0.00 N
141
+ ATOM 141 H LYS A 33 -28.283 -3.146 11.605 1.00 0.00 H
142
+ ATOM 142 CA LYS A 33 -29.322 -4.820 10.716 1.00 0.00 C
143
+ ATOM 143 C LYS A 33 -29.557 -6.165 11.397 1.00 0.00 C
144
+ ATOM 144 O LYS A 33 -29.814 -7.181 10.746 1.00 0.00 O
145
+ ATOM 145 CB LYS A 33 -29.172 -4.985 9.202 1.00 0.00 C
146
+ ATOM 146 CG LYS A 33 -28.996 -3.663 8.470 1.00 0.00 C
147
+ ATOM 147 CD LYS A 33 -29.244 -3.796 6.979 1.00 0.00 C
148
+ ATOM 148 CE LYS A 33 -28.913 -2.498 6.255 1.00 0.00 C
149
+ ATOM 149 NZ LYS A 33 -29.586 -1.322 6.876 1.00 0.00 N
150
+ ATOM 150 HZ1 LYS A 33 -30.617 -1.457 6.844 1.00 0.00 H
151
+ ATOM 151 HZ2 LYS A 33 -29.277 -1.229 7.865 1.00 0.00 H
152
+ ATOM 152 HZ3 LYS A 33 -29.332 -0.461 6.350 1.00 0.00 H
153
+ ATOM 153 N GLY A 34 -29.464 -6.166 12.725 1.00 0.00 N
154
+ ATOM 154 H GLY A 34 -29.197 -5.289 13.215 1.00 0.00 H
155
+ ATOM 155 CA GLY A 34 -29.726 -7.359 13.507 1.00 0.00 C
156
+ ATOM 156 C GLY A 34 -28.693 -8.455 13.389 1.00 0.00 C
157
+ ATOM 157 O GLY A 34 -28.965 -9.583 13.810 1.00 0.00 O
158
+ ATOM 158 N LYS A 35 -27.516 -8.164 12.834 1.00 0.00 N
159
+ ATOM 159 H LYS A 35 -27.337 -7.189 12.520 1.00 0.00 H
160
+ ATOM 160 CA LYS A 35 -26.473 -9.163 12.654 1.00 0.00 C
161
+ ATOM 161 C LYS A 35 -25.154 -8.651 13.218 1.00 0.00 C
162
+ ATOM 162 O LYS A 35 -24.913 -7.442 13.288 1.00 0.00 O
163
+ ATOM 163 CB LYS A 35 -26.308 -9.538 11.175 1.00 0.00 C
164
+ ATOM 164 CG LYS A 35 -27.551 -10.171 10.569 1.00 0.00 C
165
+ ATOM 165 CD LYS A 35 -27.330 -10.567 9.121 1.00 0.00 C
166
+ ATOM 166 CE LYS A 35 -26.213 -11.588 8.992 1.00 0.00 C
167
+ ATOM 167 NZ LYS A 35 -26.505 -12.833 9.754 1.00 0.00 N
168
+ ATOM 168 HZ1 LYS A 35 -26.620 -12.603 10.762 1.00 0.00 H
169
+ ATOM 169 HZ2 LYS A 35 -27.381 -13.262 9.393 1.00 0.00 H
170
+ ATOM 170 HZ3 LYS A 35 -25.716 -13.502 9.639 1.00 0.00 H
171
+ ATOM 171 N VAL A 36 -24.297 -9.593 13.607 1.00 0.00 N
172
+ ATOM 172 H VAL A 36 -24.534 -10.587 13.413 1.00 0.00 H
173
+ ATOM 173 CA VAL A 36 -23.042 -9.302 14.292 1.00 0.00 C
174
+ ATOM 174 C VAL A 36 -21.889 -9.443 13.306 1.00 0.00 C
175
+ ATOM 175 O VAL A 36 -21.772 -10.461 12.612 1.00 0.00 O
176
+ ATOM 176 CB VAL A 36 -22.845 -10.234 15.501 1.00 0.00 C
177
+ ATOM 177 CG1 VAL A 36 -21.570 -9.881 16.244 1.00 0.00 C
178
+ ATOM 178 CG2 VAL A 36 -24.050 -10.166 16.434 1.00 0.00 C
179
+ ATOM 179 N GLU A 37 -21.030 -8.427 13.252 1.00 0.00 N
180
+ ATOM 180 H GLU A 37 -21.227 -7.577 13.818 1.00 0.00 H
181
+ ATOM 181 CA GLU A 37 -19.828 -8.456 12.433 1.00 0.00 C
182
+ ATOM 182 C GLU A 37 -18.617 -8.153 13.303 1.00 0.00 C
183
+ ATOM 183 O GLU A 37 -18.707 -7.403 14.279 1.00 0.00 O
184
+ ATOM 184 CB GLU A 37 -19.898 -7.446 11.277 1.00 0.00 C
185
+ ATOM 185 CG GLU A 37 -20.992 -7.728 10.263 1.00 0.00 C
186
+ ATOM 186 CD GLU A 37 -21.025 -6.704 9.144 1.00 0.00 C
187
+ ATOM 187 OE1 GLU A 37 -20.329 -5.673 9.256 1.00 0.00 O
188
+ ATOM 188 OE2 GLU A 37 -21.747 -6.931 8.149 1.00 0.00 O
189
+ ATOM 189 N TYR A 38 -17.480 -8.738 12.938 1.00 0.00 N
190
+ ATOM 190 H TYR A 38 -17.487 -9.365 12.108 1.00 0.00 H
191
+ ATOM 191 CA TYR A 38 -16.229 -8.537 13.651 1.00 0.00 C
192
+ ATOM 192 C TYR A 38 -15.181 -7.955 12.712 1.00 0.00 C
193
+ ATOM 193 O TYR A 38 -15.127 -8.304 11.528 1.00 0.00 O
194
+ ATOM 194 CB TYR A 38 -15.712 -9.848 14.251 1.00 0.00 C
195
+ ATOM 195 CG TYR A 38 -16.568 -10.412 15.367 1.00 0.00 C
196
+ ATOM 196 CD1 TYR A 38 -16.417 -9.974 16.678 1.00 0.00 C
197
+ ATOM 197 CD2 TYR A 38 -17.514 -11.396 15.113 1.00 0.00 C
198
+ ATOM 198 CE1 TYR A 38 -17.188 -10.494 17.700 1.00 0.00 C
199
+ ATOM 199 CE2 TYR A 38 -18.294 -11.921 16.131 1.00 0.00 C
200
+ ATOM 200 CZ TYR A 38 -18.126 -11.465 17.422 1.00 0.00 C
201
+ ATOM 201 OH TYR A 38 -18.894 -11.982 18.438 1.00 0.00 O
202
+ ATOM 202 HH TYR A 38 -18.646 -11.546 19.292 1.00 0.00 H
203
+ ATOM 203 N LEU A 39 -14.349 -7.069 13.249 1.00 0.00 N
204
+ ATOM 204 H LEU A 39 -14.509 -6.762 14.230 1.00 0.00 H
205
+ ATOM 205 CA LEU A 39 -13.221 -6.510 12.515 1.00 0.00 C
206
+ ATOM 206 C LEU A 39 -11.997 -7.383 12.772 1.00 0.00 C
207
+ ATOM 207 O LEU A 39 -11.590 -7.559 13.925 1.00 0.00 O
208
+ ATOM 208 CB LEU A 39 -12.968 -5.068 12.945 1.00 0.00 C
209
+ ATOM 209 CG LEU A 39 -11.830 -4.309 12.265 1.00 0.00 C
210
+ ATOM 210 CD1 LEU A 39 -12.057 -4.233 10.766 1.00 0.00 C
211
+ ATOM 211 CD2 LEU A 39 -11.711 -2.920 12.868 1.00 0.00 C
212
+ ATOM 212 N LEU A 40 -11.417 -7.930 11.706 1.00 0.00 N
213
+ ATOM 213 H LEU A 40 -11.706 -7.609 10.760 1.00 0.00 H
214
+ ATOM 214 CA LEU A 40 -10.393 -8.960 11.814 1.00 0.00 C
215
+ ATOM 215 C LEU A 40 -9.046 -8.463 11.304 1.00 0.00 C
216
+ ATOM 216 O LEU A 40 -8.968 -7.800 10.266 1.00 0.00 O
217
+ ATOM 217 CB LEU A 40 -10.794 -10.214 11.031 1.00 0.00 C
218
+ ATOM 218 CG LEU A 40 -12.131 -10.881 11.364 1.00 0.00 C
219
+ ATOM 219 CD1 LEU A 40 -12.262 -12.208 10.630 1.00 0.00 C
220
+ ATOM 220 CD2 LEU A 40 -12.284 -11.077 12.864 1.00 0.00 C
221
+ ATOM 221 N LYS A 41 -7.989 -8.804 12.036 1.00 0.00 N
222
+ ATOM 222 H LYS A 41 -8.149 -9.210 12.979 1.00 0.00 H
223
+ ATOM 223 CA LYS A 41 -6.616 -8.634 11.578 1.00 0.00 C
224
+ ATOM 224 C LYS A 41 -6.135 -9.969 11.021 1.00 0.00 C
225
+ ATOM 225 O LYS A 41 -6.139 -10.978 11.735 1.00 0.00 O
226
+ ATOM 226 CB LYS A 41 -5.714 -8.161 12.719 1.00 0.00 C
227
+ ATOM 227 CG LYS A 41 -4.225 -8.194 12.404 1.00 0.00 C
228
+ ATOM 228 CD LYS A 41 -3.860 -7.219 11.300 1.00 0.00 C
229
+ ATOM 229 CE LYS A 41 -2.348 -7.081 11.154 1.00 0.00 C
230
+ ATOM 230 NZ LYS A 41 -1.700 -8.302 10.599 1.00 0.00 N
231
+ ATOM 231 HZ1 LYS A 41 -1.884 -9.108 11.231 1.00 0.00 H
232
+ ATOM 232 HZ2 LYS A 41 -2.091 -8.503 9.657 1.00 0.00 H
233
+ ATOM 233 HZ3 LYS A 41 -0.675 -8.145 10.524 1.00 0.00 H
234
+ ATOM 234 N TRP A 42 -5.732 -9.975 9.754 1.00 0.00 N
235
+ ATOM 235 H TRP A 42 -5.672 -9.073 9.240 1.00 0.00 H
236
+ ATOM 236 CA TRP A 42 -5.372 -11.207 9.062 1.00 0.00 C
237
+ ATOM 237 C TRP A 42 -3.876 -11.474 9.179 1.00 0.00 C
238
+ ATOM 238 O TRP A 42 -3.061 -10.551 9.107 1.00 0.00 O
239
+ ATOM 239 CB TRP A 42 -5.772 -11.131 7.589 1.00 0.00 C
240
+ ATOM 240 CG TRP A 42 -7.230 -10.851 7.363 1.00 0.00 C
241
+ ATOM 241 CD1 TRP A 42 -7.801 -9.641 7.079 1.00 0.00 C
242
+ ATOM 242 CD2 TRP A 42 -8.303 -11.801 7.395 1.00 0.00 C
243
+ ATOM 243 NE1 TRP A 42 -9.160 -9.781 6.934 1.00 0.00 N
244
+ ATOM 244 HE1 TRP A 42 -9.827 -9.013 6.717 1.00 0.00 H
245
+ ATOM 245 CE2 TRP A 42 -9.492 -11.098 7.123 1.00 0.00 C
246
+ ATOM 246 CE3 TRP A 42 -8.370 -13.179 7.626 1.00 0.00 C
247
+ ATOM 247 CZ2 TRP A 42 -10.734 -11.724 7.075 1.00 0.00 C
248
+ ATOM 248 CZ3 TRP A 42 -9.602 -13.798 7.577 1.00 0.00 C
249
+ ATOM 249 CH2 TRP A 42 -10.770 -13.071 7.302 1.00 0.00 C
250
+ ATOM 250 N LYS A 43 -3.526 -12.750 9.353 1.00 0.00 N
251
+ ATOM 251 H LYS A 43 -4.261 -13.486 9.360 1.00 0.00 H
252
+ ATOM 252 CA LYS A 43 -2.129 -13.131 9.533 1.00 0.00 C
253
+ ATOM 253 C LYS A 43 -1.341 -12.960 8.240 1.00 0.00 C
254
+ ATOM 254 O LYS A 43 -1.722 -13.489 7.192 1.00 0.00 O
255
+ ATOM 255 CB LYS A 43 -2.026 -14.577 10.017 1.00 0.00 C
256
+ ATOM 256 CG LYS A 43 -0.590 -15.059 10.165 1.00 0.00 C
257
+ ATOM 257 CD LYS A 43 -0.516 -16.450 10.772 1.00 0.00 C
258
+ ATOM 258 CE LYS A 43 0.928 -16.864 11.020 1.00 0.00 C
259
+ ATOM 259 NZ LYS A 43 1.024 -18.190 11.696 1.00 0.00 N
260
+ ATOM 260 HZ1 LYS A 43 0.536 -18.146 12.614 1.00 0.00 H
261
+ ATOM 261 HZ2 LYS A 43 0.576 -18.915 11.100 1.00 0.00 H
262
+ ATOM 262 HZ3 LYS A 43 2.024 -18.432 11.845 1.00 0.00 H
263
+ ATOM 263 N GLY A 44 -0.225 -12.239 8.325 1.00 0.00 N
264
+ ATOM 264 H GLY A 44 0.049 -11.834 9.242 1.00 0.00 H
265
+ ATOM 265 CA GLY A 44 0.615 -12.005 7.170 1.00 0.00 C
266
+ ATOM 266 C GLY A 44 0.162 -10.880 6.272 1.00 0.00 C
267
+ ATOM 267 O GLY A 44 0.730 -10.702 5.188 1.00 0.00 O
268
+ ATOM 268 N PHE A 45 -0.836 -10.111 6.689 1.00 0.00 N
269
+ ATOM 269 H PHE A 45 -1.252 -10.300 7.623 1.00 0.00 H
270
+ ATOM 270 CA PHE A 45 -1.372 -9.016 5.903 1.00 0.00 C
271
+ ATOM 271 C PHE A 45 -1.247 -7.712 6.675 1.00 0.00 C
272
+ ATOM 272 O PHE A 45 -1.161 -7.695 7.905 1.00 0.00 O
273
+ ATOM 273 CB PHE A 45 -2.836 -9.273 5.526 1.00 0.00 C
274
+ ATOM 274 CG PHE A 45 -3.021 -10.424 4.580 1.00 0.00 C
275
+ ATOM 275 CD1 PHE A 45 -3.147 -11.718 5.058 1.00 0.00 C
276
+ ATOM 276 CD2 PHE A 45 -3.063 -10.212 3.210 1.00 0.00 C
277
+ ATOM 277 CE1 PHE A 45 -3.311 -12.781 4.189 1.00 0.00 C
278
+ ATOM 278 CE2 PHE A 45 -3.230 -11.271 2.333 1.00 0.00 C
279
+ ATOM 279 CZ PHE A 45 -3.356 -12.557 2.822 1.00 0.00 C
280
+ ATOM 280 N SER A 46 -1.232 -6.614 5.926 1.00 0.00 N
281
+ ATOM 281 H SER A 46 -1.268 -6.706 4.891 1.00 0.00 H
282
+ ATOM 282 CA SER A 46 -1.167 -5.288 6.516 1.00 0.00 C
283
+ ATOM 283 C SER A 46 -2.409 -5.012 7.358 1.00 0.00 C
284
+ ATOM 284 O SER A 46 -3.478 -5.593 7.150 1.00 0.00 O
285
+ ATOM 285 CB SER A 46 -1.035 -4.231 5.418 1.00 0.00 C
286
+ ATOM 286 OG SER A 46 -1.225 -2.930 5.939 1.00 0.00 O
287
+ ATOM 287 HG SER A 46 -1.135 -2.267 5.209 1.00 0.00 H
288
+ ATOM 288 N ASP A 47 -2.259 -4.106 8.327 1.00 0.00 N
289
+ ATOM 289 H ASP A 47 -1.312 -3.754 8.570 1.00 0.00 H
290
+ ATOM 290 CA ASP A 47 -3.429 -3.612 9.042 1.00 0.00 C
291
+ ATOM 291 C ASP A 47 -4.376 -2.853 8.120 1.00 0.00 C
292
+ ATOM 292 O ASP A 47 -5.560 -2.708 8.445 1.00 0.00 O
293
+ ATOM 293 CB ASP A 47 -3.006 -2.716 10.205 1.00 0.00 C
294
+ ATOM 294 CG ASP A 47 -2.109 -3.431 11.195 1.00 0.00 C
295
+ ATOM 295 OD1 ASP A 47 -0.885 -3.484 10.953 1.00 0.00 O
296
+ ATOM 296 OD2 ASP A 47 -2.625 -3.940 12.213 1.00 0.00 O
297
+ ATOM 297 N GLU A 48 -3.879 -2.361 6.980 1.00 0.00 N
298
+ ATOM 298 H GLU A 48 -2.856 -2.420 6.800 1.00 0.00 H
299
+ ATOM 299 CA GLU A 48 -4.748 -1.744 5.987 1.00 0.00 C
300
+ ATOM 300 C GLU A 48 -5.690 -2.752 5.345 1.00 0.00 C
301
+ ATOM 301 O GLU A 48 -6.666 -2.349 4.706 1.00 0.00 O
302
+ ATOM 302 CB GLU A 48 -3.909 -1.058 4.904 1.00 0.00 C
303
+ ATOM 303 CG GLU A 48 -3.066 0.103 5.408 1.00 0.00 C
304
+ ATOM 304 CD GLU A 48 -2.201 0.716 4.318 1.00 0.00 C
305
+ ATOM 305 OE1 GLU A 48 -1.494 -0.041 3.620 1.00 0.00 O
306
+ ATOM 306 OE2 GLU A 48 -2.232 1.955 4.160 1.00 0.00 O
307
+ ATOM 307 N ASP A 49 -5.420 -4.048 5.496 1.00 0.00 N
308
+ ATOM 308 H ASP A 49 -4.582 -4.323 6.047 1.00 0.00 H
309
+ ATOM 309 CA ASP A 49 -6.252 -5.092 4.922 1.00 0.00 C
310
+ ATOM 310 C ASP A 49 -7.246 -5.677 5.919 1.00 0.00 C
311
+ ATOM 311 O ASP A 49 -7.872 -6.699 5.619 1.00 0.00 O
312
+ ATOM 312 CB ASP A 49 -5.380 -6.205 4.340 1.00 0.00 C
313
+ ATOM 313 CG ASP A 49 -4.587 -5.751 3.134 1.00 0.00 C
314
+ ATOM 314 OD1 ASP A 49 -4.999 -4.766 2.490 1.00 0.00 O
315
+ ATOM 315 OD2 ASP A 49 -3.555 -6.378 2.829 1.00 0.00 O
316
+ ATOM 316 N ASN A 50 -7.400 -5.065 7.093 1.00 0.00 N
317
+ ATOM 317 H ASN A 50 -6.769 -4.280 7.352 1.00 0.00 H
318
+ ATOM 318 CA ASN A 50 -8.445 -5.487 8.019 1.00 0.00 C
319
+ ATOM 319 C ASN A 50 -9.815 -5.368 7.357 1.00 0.00 C
320
+ ATOM 320 O ASN A 50 -10.069 -4.444 6.581 1.00 0.00 O
321
+ ATOM 321 CB ASN A 50 -8.411 -4.638 9.295 1.00 0.00 C
322
+ ATOM 322 CG ASN A 50 -7.107 -4.779 10.070 1.00 0.00 C
323
+ ATOM 323 OD1 ASN A 50 -6.364 -5.746 9.901 1.00 0.00 O
324
+ ATOM 324 ND2 ASN A 50 -6.831 -3.810 10.931 1.00 0.00 N
325
+ ATOM 325 HD21 ASN A 50 -5.959 -3.850 11.496 1.00 0.00 H
326
+ ATOM 326 HD22 ASN A 50 -7.486 -3.011 11.042 1.00 0.00 H
327
+ ATOM 327 N THR A 51 -10.704 -6.312 7.662 1.00 0.00 N
328
+ ATOM 328 H THR A 51 -10.444 -7.060 8.337 1.00 0.00 H
329
+ ATOM 329 CA THR A 51 -12.034 -6.316 7.069 1.00 0.00 C
330
+ ATOM 330 C THR A 51 -13.078 -6.640 8.125 1.00 0.00 C
331
+ ATOM 331 O THR A 51 -12.817 -7.379 9.077 1.00 0.00 O
332
+ ATOM 332 CB THR A 51 -12.159 -7.331 5.922 1.00 0.00 C
333
+ ATOM 333 OG1 THR A 51 -11.790 -8.635 6.391 1.00 0.00 O
334
+ ATOM 334 HG1 THR A 51 -11.871 -9.287 5.649 1.00 0.00 H
335
+ ATOM 335 CG2 THR A 51 -11.283 -6.934 4.732 1.00 0.00 C
336
+ ATOM 336 N TRP A 52 -14.267 -6.073 7.943 1.00 0.00 N
337
+ ATOM 337 H TRP A 52 -14.368 -5.327 7.225 1.00 0.00 H
338
+ ATOM 338 CA TRP A 52 -15.431 -6.469 8.722 1.00 0.00 C
339
+ ATOM 339 C TRP A 52 -16.045 -7.719 8.104 1.00 0.00 C
340
+ ATOM 340 O TRP A 52 -16.321 -7.757 6.900 1.00 0.00 O
341
+ ATOM 341 CB TRP A 52 -16.459 -5.341 8.768 1.00 0.00 C
342
+ ATOM 342 CG TRP A 52 -16.058 -4.185 9.635 1.00 0.00 C
343
+ ATOM 343 CD1 TRP A 52 -15.496 -3.012 9.230 1.00 0.00 C
344
+ ATOM 344 CD2 TRP A 52 -16.198 -4.094 11.059 1.00 0.00 C
345
+ ATOM 345 NE1 TRP A 52 -15.273 -2.194 10.313 1.00 0.00 N
346
+ ATOM 346 HE1 TRP A 52 -14.851 -1.245 10.277 1.00 0.00 H
347
+ ATOM 347 CE2 TRP A 52 -15.698 -2.835 11.448 1.00 0.00 C
348
+ ATOM 348 CE3 TRP A 52 -16.700 -4.956 12.043 1.00 0.00 C
349
+ ATOM 349 CZ2 TRP A 52 -15.683 -2.415 12.774 1.00 0.00 C
350
+ ATOM 350 CZ3 TRP A 52 -16.685 -4.536 13.362 1.00 0.00 C
351
+ ATOM 351 CH2 TRP A 52 -16.179 -3.277 13.715 1.00 0.00 C
352
+ ATOM 352 N GLU A 53 -16.251 -8.745 8.922 1.00 0.00 N
353
+ ATOM 353 H GLU A 53 -16.049 -8.642 9.937 1.00 0.00 H
354
+ ATOM 354 CA GLU A 53 -16.754 -10.007 8.415 1.00 0.00 C
355
+ ATOM 355 C GLU A 53 -17.966 -10.450 9.222 1.00 0.00 C
356
+ ATOM 356 O GLU A 53 -17.971 -10.334 10.454 1.00 0.00 O
357
+ ATOM 357 CB GLU A 53 -15.674 -11.097 8.472 1.00 0.00 C
358
+ ATOM 358 CG GLU A 53 -14.399 -10.763 7.717 1.00 0.00 C
359
+ ATOM 359 CD GLU A 53 -14.589 -10.764 6.212 1.00 0.00 C
360
+ ATOM 360 OE1 GLU A 53 -15.590 -11.333 5.732 1.00 0.00 O
361
+ ATOM 361 OE2 GLU A 53 -13.731 -10.196 5.509 1.00 0.00 O
362
+ ATOM 362 N PRO A 54 -19.006 -10.951 8.559 1.00 0.00 N
363
+ ATOM 363 CA PRO A 54 -20.135 -11.528 9.296 1.00 0.00 C
364
+ ATOM 364 C PRO A 54 -19.656 -12.680 10.164 1.00 0.00 C
365
+ ATOM 365 O PRO A 54 -18.758 -13.432 9.781 1.00 0.00 O
366
+ ATOM 366 CB PRO A 54 -21.082 -12.006 8.187 1.00 0.00 C
367
+ ATOM 367 CG PRO A 54 -20.669 -11.239 6.966 1.00 0.00 C
368
+ ATOM 368 CD PRO A 54 -19.191 -11.030 7.101 1.00 0.00 C
369
+ ATOM 369 N GLU A 55 -20.265 -12.811 11.350 1.00 0.00 N
370
+ ATOM 370 H GLU A 55 -21.094 -12.225 11.571 1.00 0.00 H
371
+ ATOM 371 CA GLU A 55 -19.770 -13.772 12.334 1.00 0.00 C
372
+ ATOM 372 C GLU A 55 -19.798 -15.200 11.801 1.00 0.00 C
373
+ ATOM 373 O GLU A 55 -18.982 -16.029 12.217 1.00 0.00 O
374
+ ATOM 374 CB GLU A 55 -20.576 -13.670 13.634 1.00 0.00 C
375
+ ATOM 375 CG GLU A 55 -22.011 -14.151 13.534 1.00 0.00 C
376
+ ATOM 376 CD GLU A 55 -22.727 -14.174 14.878 1.00 0.00 C
377
+ ATOM 377 OE1 GLU A 55 -22.066 -14.016 15.930 1.00 0.00 O
378
+ ATOM 378 OE2 GLU A 55 -23.960 -14.350 14.880 1.00 0.00 O
379
+ ATOM 379 N GLU A 56 -20.709 -15.504 10.874 1.00 0.00 N
380
+ ATOM 380 H GLU A 56 -21.372 -14.775 10.539 1.00 0.00 H
381
+ ATOM 381 CA GLU A 56 -20.776 -16.855 10.328 1.00 0.00 C
382
+ ATOM 382 C GLU A 56 -19.536 -17.215 9.518 1.00 0.00 C
383
+ ATOM 383 O GLU A 56 -19.263 -18.405 9.320 1.00 0.00 O
384
+ ATOM 384 CB GLU A 56 -22.032 -17.018 9.470 1.00 0.00 C
385
+ ATOM 385 CG GLU A 56 -22.170 -15.996 8.350 1.00 0.00 C
386
+ ATOM 386 CD GLU A 56 -23.030 -14.804 8.737 1.00 0.00 C
387
+ ATOM 387 OE1 GLU A 56 -22.956 -14.355 9.903 1.00 0.00 O
388
+ ATOM 388 OE2 GLU A 56 -23.786 -14.318 7.870 1.00 0.00 O
389
+ ATOM 389 N ASN A 57 -18.780 -16.220 9.051 1.00 0.00 N
390
+ ATOM 390 H ASN A 57 -19.088 -15.236 9.186 1.00 0.00 H
391
+ ATOM 391 CA ASN A 57 -17.529 -16.490 8.355 1.00 0.00 C
392
+ ATOM 392 C ASN A 57 -16.425 -16.964 9.292 1.00 0.00 C
393
+ ATOM 393 O ASN A 57 -15.453 -17.564 8.824 1.00 0.00 O
394
+ ATOM 394 CB ASN A 57 -17.046 -15.237 7.621 1.00 0.00 C
395
+ ATOM 395 CG ASN A 57 -17.975 -14.809 6.494 1.00 0.00 C
396
+ ATOM 396 OD1 ASN A 57 -19.085 -15.324 6.343 1.00 0.00 O
397
+ ATOM 397 ND2 ASN A 57 -17.519 -13.847 5.699 1.00 0.00 N
398
+ ATOM 398 HD21 ASN A 57 -18.105 -13.501 4.913 1.00 0.00 H
399
+ ATOM 399 HD22 ASN A 57 -16.575 -13.441 5.863 1.00 0.00 H
400
+ ATOM 400 N LEU A 58 -16.551 -16.717 10.594 1.00 0.00 N
401
+ ATOM 401 H LEU A 58 -17.465 -16.387 10.963 1.00 0.00 H
402
+ ATOM 402 CA LEU A 58 -15.433 -16.898 11.514 1.00 0.00 C
403
+ ATOM 403 C LEU A 58 -15.353 -18.330 12.028 1.00 0.00 C
404
+ ATOM 404 O LEU A 58 -16.369 -18.955 12.345 1.00 0.00 O
405
+ ATOM 405 CB LEU A 58 -15.548 -15.931 12.697 1.00 0.00 C
406
+ ATOM 406 CG LEU A 58 -15.067 -14.485 12.517 1.00 0.00 C
407
+ ATOM 407 CD1 LEU A 58 -15.834 -13.754 11.419 1.00 0.00 C
408
+ ATOM 408 CD2 LEU A 58 -15.160 -13.715 13.828 1.00 0.00 C
409
+ ATOM 409 N ASP A 59 -14.128 -18.845 12.106 1.00 0.00 N
410
+ ATOM 410 H ASP A 59 -13.349 -18.309 11.674 1.00 0.00 H
411
+ ATOM 411 CA ASP A 59 -13.804 -20.108 12.755 1.00 0.00 C
412
+ ATOM 412 C ASP A 59 -12.674 -19.898 13.750 1.00 0.00 C
413
+ ATOM 413 O ASP A 59 -11.726 -20.686 13.828 1.00 0.00 O
414
+ ATOM 414 CB ASP A 59 -13.435 -21.182 11.735 1.00 0.00 C
415
+ ATOM 415 CG ASP A 59 -14.627 -21.653 10.924 1.00 0.00 C
416
+ ATOM 416 OD1 ASP A 59 -15.692 -21.914 11.522 1.00 0.00 O
417
+ ATOM 417 OD2 ASP A 59 -14.499 -21.758 9.685 1.00 0.00 O
418
+ ATOM 418 N CYS A 60 -12.757 -18.812 14.515 1.00 0.00 N
419
+ ATOM 419 H CYS A 60 -13.597 -18.205 14.420 1.00 0.00 H
420
+ ATOM 420 CA CYS A 60 -11.732 -18.427 15.482 1.00 0.00 C
421
+ ATOM 421 C CYS A 60 -12.390 -18.181 16.836 1.00 0.00 C
422
+ ATOM 422 O CYS A 60 -12.471 -17.041 17.308 1.00 0.00 O
423
+ ATOM 423 CB CYS A 60 -10.973 -17.188 15.002 1.00 0.00 C
424
+ ATOM 424 SG CYS A 60 -12.026 -15.819 14.456 1.00 0.00 S
425
+ ATOM 425 N PRO A 61 -12.866 -19.243 17.495 1.00 0.00 N
426
+ ATOM 426 CA PRO A 61 -13.587 -19.037 18.763 1.00 0.00 C
427
+ ATOM 427 C PRO A 61 -12.710 -18.473 19.865 1.00 0.00 C
428
+ ATOM 428 O PRO A 61 -13.173 -17.634 20.645 1.00 0.00 O
429
+ ATOM 429 CB PRO A 61 -14.101 -20.443 19.102 1.00 0.00 C
430
+ ATOM 430 CG PRO A 61 -13.124 -21.364 18.445 1.00 0.00 C
431
+ ATOM 431 CD PRO A 61 -12.701 -20.673 17.175 1.00 0.00 C
432
+ ATOM 432 N ASP A 62 -11.449 -18.905 19.945 1.00 0.00 N
433
+ ATOM 433 H ASP A 62 -11.102 -19.613 19.266 1.00 0.00 H
434
+ ATOM 434 CA ASP A 62 -10.553 -18.392 20.976 1.00 0.00 C
435
+ ATOM 435 C ASP A 62 -10.277 -16.906 20.799 1.00 0.00 C
436
+ ATOM 436 O ASP A 62 -10.057 -16.194 21.787 1.00 0.00 O
437
+ ATOM 437 CB ASP A 62 -9.241 -19.175 20.969 1.00 0.00 C
438
+ ATOM 438 CG ASP A 62 -9.444 -20.649 21.241 1.00 0.00 C
439
+ ATOM 439 OD1 ASP A 62 -10.612 -21.093 21.284 1.00 0.00 O
440
+ ATOM 440 OD2 ASP A 62 -8.435 -21.365 21.414 1.00 0.00 O
441
+ ATOM 441 N LEU A 63 -10.276 -16.417 19.558 1.00 0.00 N
442
+ ATOM 442 H LEU A 63 -10.462 -17.048 18.753 1.00 0.00 H
443
+ ATOM 443 CA LEU A 63 -10.017 -15.001 19.325 1.00 0.00 C
444
+ ATOM 444 C LEU A 63 -11.240 -14.138 19.611 1.00 0.00 C
445
+ ATOM 445 O LEU A 63 -11.092 -12.994 20.055 1.00 0.00 O
446
+ ATOM 446 CB LEU A 63 -9.531 -14.782 17.890 1.00 0.00 C
447
+ ATOM 447 CG LEU A 63 -8.156 -15.363 17.556 1.00 0.00 C
448
+ ATOM 448 CD1 LEU A 63 -7.712 -14.928 16.169 1.00 0.00 C
449
+ ATOM 449 CD2 LEU A 63 -7.125 -14.959 18.600 1.00 0.00 C
450
+ ATOM 450 N ILE A 64 -12.445 -14.655 19.362 1.00 0.00 N
451
+ ATOM 451 H ILE A 64 -12.527 -15.569 18.871 1.00 0.00 H
452
+ ATOM 452 CA ILE A 64 -13.647 -13.938 19.777 1.00 0.00 C
453
+ ATOM 453 C ILE A 64 -13.723 -13.876 21.297 1.00 0.00 C
454
+ ATOM 454 O ILE A 64 -14.122 -12.856 21.874 1.00 0.00 O
455
+ ATOM 455 CB ILE A 64 -14.906 -14.591 19.180 1.00 0.00 C
456
+ ATOM 456 CG1 ILE A 64 -14.905 -14.491 17.656 1.00 0.00 C
457
+ ATOM 457 CG2 ILE A 64 -16.162 -13.945 19.750 1.00 0.00 C
458
+ ATOM 458 CD1 ILE A 64 -16.170 -15.028 17.023 1.00 0.00 C
459
+ ATOM 459 N ALA A 65 -13.341 -14.963 21.970 1.00 0.00 N
460
+ ATOM 460 H ALA A 65 -13.032 -15.810 21.452 1.00 0.00 H
461
+ ATOM 461 CA ALA A 65 -13.354 -14.970 23.429 1.00 0.00 C
462
+ ATOM 462 C ALA A 65 -12.371 -13.952 23.991 1.00 0.00 C
463
+ ATOM 463 O ALA A 65 -12.642 -13.320 25.019 1.00 0.00 O
464
+ ATOM 464 CB ALA A 65 -13.040 -16.371 23.950 1.00 0.00 C
465
+ ATOM 465 N GLU A 66 -11.225 -13.774 23.329 1.00 0.00 N
466
+ ATOM 466 H GLU A 66 -11.012 -14.357 22.494 1.00 0.00 H
467
+ ATOM 467 CA GLU A 66 -10.270 -12.763 23.773 1.00 0.00 C
468
+ ATOM 468 C GLU A 66 -10.851 -11.359 23.656 1.00 0.00 C
469
+ ATOM 469 O GLU A 66 -10.647 -10.523 24.543 1.00 0.00 O
470
+ ATOM 470 CB GLU A 66 -8.973 -12.864 22.970 1.00 0.00 C
471
+ ATOM 471 CG GLU A 66 -7.954 -11.792 23.339 1.00 0.00 C
472
+ ATOM 472 CD GLU A 66 -6.806 -11.696 22.354 1.00 0.00 C
473
+ ATOM 473 OE1 GLU A 66 -6.877 -12.326 21.277 1.00 0.00 O
474
+ ATOM 474 OE2 GLU A 66 -5.827 -10.981 22.661 1.00 0.00 O
475
+ ATOM 475 N PHE A 67 -11.579 -11.081 22.569 1.00 0.00 N
476
+ ATOM 476 H PHE A 67 -11.790 -11.832 21.881 1.00 0.00 H
477
+ ATOM 477 CA PHE A 67 -12.079 -9.727 22.346 1.00 0.00 C
478
+ ATOM 478 C PHE A 67 -13.135 -9.345 23.375 1.00 0.00 C
479
+ ATOM 479 O PHE A 67 -13.122 -8.228 23.906 1.00 0.00 O
480
+ ATOM 480 CB PHE A 67 -12.650 -9.586 20.935 1.00 0.00 C
481
+ ATOM 481 CG PHE A 67 -13.494 -8.356 20.758 1.00 0.00 C
482
+ ATOM 482 CD1 PHE A 67 -12.902 -7.119 20.561 1.00 0.00 C
483
+ ATOM 483 CD2 PHE A 67 -14.877 -8.432 20.822 1.00 0.00 C
484
+ ATOM 484 CE1 PHE A 67 -13.671 -5.982 20.416 1.00 0.00 C
485
+ ATOM 485 CE2 PHE A 67 -15.652 -7.297 20.682 1.00 0.00 C
486
+ ATOM 486 CZ PHE A 67 -15.048 -6.070 20.475 1.00 0.00 C
487
+ ATOM 487 N LEU A 68 -14.079 -10.250 23.647 1.00 0.00 N
488
+ ATOM 488 H LEU A 68 -14.055 -11.181 23.184 1.00 0.00 H
489
+ ATOM 489 CA LEU A 68 -15.144 -9.934 24.592 1.00 0.00 C
490
+ ATOM 490 C LEU A 68 -14.602 -9.731 25.999 1.00 0.00 C
491
+ ATOM 491 O LEU A 68 -15.122 -8.896 26.748 1.00 0.00 O
492
+ ATOM 492 CB LEU A 68 -16.203 -11.036 24.577 1.00 0.00 C
493
+ ATOM 493 CG LEU A 68 -16.960 -11.203 23.258 1.00 0.00 C
494
+ ATOM 494 CD1 LEU A 68 -17.911 -12.388 23.331 1.00 0.00 C
495
+ ATOM 495 CD2 LEU A 68 -17.707 -9.923 22.907 1.00 0.00 C
496
+ ATOM 496 N GLN A 69 -13.559 -10.476 26.374 1.00 0.00 N
497
+ ATOM 497 H GLN A 69 -13.174 -11.191 25.723 1.00 0.00 H
498
+ ATOM 498 CA GLN A 69 -12.955 -10.293 27.688 1.00 0.00 C
499
+ ATOM 499 C GLN A 69 -12.189 -8.980 27.776 1.00 0.00 C
500
+ ATOM 500 O GLN A 69 -12.116 -8.378 28.853 1.00 0.00 O
501
+ ATOM 501 CB GLN A 69 -12.044 -11.477 28.010 1.00 0.00 C
502
+ ATOM 502 CG GLN A 69 -12.791 -12.800 28.101 1.00 0.00 C
503
+ ATOM 503 CD GLN A 69 -11.875 -14.005 28.013 1.00 0.00 C
504
+ ATOM 504 OE1 GLN A 69 -10.659 -13.888 28.157 1.00 0.00 O
505
+ ATOM 505 NE2 GLN A 69 -12.458 -15.174 27.768 1.00 0.00 N
506
+ ATOM 506 HE21 GLN A 69 -11.883 -16.037 27.692 1.00 0.00 H
507
+ ATOM 507 HE22 GLN A 69 -13.490 -15.227 27.652 1.00 0.00 H
508
+ ATOM 508 N SER A 70 -11.616 -8.517 26.662 1.00 0.00 N
509
+ ATOM 509 H SER A 70 -11.621 -9.097 25.799 1.00 0.00 H
510
+ ATOM 510 CA SER A 70 -10.982 -7.205 26.647 1.00 0.00 C
511
+ ATOM 511 C SER A 70 -12.003 -6.080 26.742 1.00 0.00 C
512
+ ATOM 512 O SER A 70 -11.642 -4.958 27.112 1.00 0.00 O
513
+ ATOM 513 CB SER A 70 -10.142 -7.033 25.380 1.00 0.00 C
514
+ ATOM 514 OG SER A 70 -10.965 -6.778 24.254 1.00 0.00 O
515
+ ATOM 515 HG SER A 70 -11.587 -7.537 24.123 1.00 0.00 H
516
+ ATOM 516 N GLN A 71 -13.265 -6.357 26.414 1.00 0.00 N
517
+ ATOM 517 H GLN A 71 -13.503 -7.315 26.086 1.00 0.00 H
518
+ ATOM 518 CA GLN A 71 -14.318 -5.357 26.503 1.00 0.00 C
519
+ ATOM 519 C GLN A 71 -14.801 -5.143 27.931 1.00 0.00 C
520
+ ATOM 520 O GLN A 71 -15.380 -4.091 28.226 1.00 0.00 O
521
+ ATOM 521 CB GLN A 71 -15.492 -5.767 25.607 1.00 0.00 C
522
+ ATOM 522 CG GLN A 71 -16.491 -4.661 25.314 1.00 0.00 C
523
+ ATOM 523 CD GLN A 71 -17.667 -5.150 24.488 1.00 0.00 C
524
+ ATOM 524 OE1 GLN A 71 -17.818 -6.349 24.252 1.00 0.00 O
525
+ ATOM 525 NE2 GLN A 71 -18.507 -4.220 24.044 1.00 0.00 N
526
+ ATOM 526 HE21 GLN A 71 -19.331 -4.493 23.473 1.00 0.00 H
527
+ ATOM 527 HE22 GLN A 71 -18.339 -3.218 24.268 1.00 0.00 H
528
+ ATOM 528 N LYS A 72 -14.572 -6.107 28.820 1.00 0.00 N
529
+ ATOM 529 H LYS A 72 -14.065 -6.962 28.514 1.00 0.00 H
530
+ ATOM 530 CA LYS A 72 -15.011 -6.004 30.208 1.00 0.00 C
531
+ ATOM 531 C LYS A 72 -14.020 -5.208 31.053 1.00 0.00 C
532
+ ATOM 532 O LYS A 72 -13.776 -4.027 30.797 1.00 0.00 O
533
+ ATOM 533 CB LYS A 72 -15.205 -7.399 30.809 1.00 0.00 C
534
+ ATOM 534 CG LYS A 72 -16.528 -8.132 30.934 1.00 0.00 C
535
+ ATOM 535 CD LYS A 72 -15.992 -9.271 31.826 1.00 0.00 C
536
+ ATOM 536 CE LYS A 72 -17.208 -10.119 32.083 1.00 0.00 C
537
+ ATOM 537 NZ LYS A 72 -17.851 -9.759 33.372 1.00 0.00 N
538
+ ATOM 538 OXT LYS A 72 -13.868 -6.280 31.764 1.00 0.00 O
539
+ TER 539 LYS A 72
540
+ END
6d08/6d08_af2_apo_protein.pdb ADDED
@@ -0,0 +1,422 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ FoldX generated pdb file
2
+
3
+ Output generated by <BuildModel>
4
+ ATOM 0 N VAL A 22 -6.019 -16.941 7.798 1.00 85.65
5
+ ATOM 1 CA VAL A 22 -5.691 -17.087 9.223 1.00 85.65
6
+ ATOM 2 C VAL A 22 -5.886 -15.754 9.940 1.00 85.65
7
+ ATOM 3 O VAL A 22 -5.172 -14.785 9.678 1.00 85.65
8
+ ATOM 4 CB VAL A 22 -4.273 -17.644 9.441 1.00 85.65
9
+ ATOM 5 CG1 VAL A 22 -3.951 -17.796 10.936 1.00 85.65
10
+ ATOM 6 CG2 VAL A 22 -4.111 -19.024 8.791 1.00 85.65
11
+ ATOM 7 N VAL A 23 -6.801 -15.722 10.907 1.00 87.73
12
+ ATOM 8 CA VAL A 23 -7.010 -14.563 11.782 1.00 87.73
13
+ ATOM 9 C VAL A 23 -5.853 -14.448 12.779 1.00 87.73
14
+ ATOM 10 O VAL A 23 -5.518 -15.389 13.496 1.00 87.73
15
+ ATOM 11 CB VAL A 23 -8.370 -14.641 12.502 1.00 87.73
16
+ ATOM 12 CG1 VAL A 23 -8.653 -13.361 13.300 1.00 87.73
17
+ ATOM 13 CG2 VAL A 23 -9.518 -14.824 11.504 1.00 87.73
18
+ ATOM 14 N GLU A 24 -5.228 -13.276 12.839 1.00 87.97
19
+ ATOM 15 CA GLU A 24 -4.238 -12.914 13.853 1.00 87.97
20
+ ATOM 16 C GLU A 24 -4.915 -12.401 15.128 1.00 87.97
21
+ ATOM 17 O GLU A 24 -4.522 -12.784 16.231 1.00 87.97
22
+ ATOM 18 CB GLU A 24 -3.298 -11.842 13.279 1.00 87.97
23
+ ATOM 19 CG GLU A 24 -2.104 -11.509 14.186 1.00 87.97
24
+ ATOM 20 CD GLU A 24 -1.255 -10.333 13.670 1.00 87.97
25
+ ATOM 21 OE1 GLU A 24 -0.632 -9.663 14.527 1.00 87.97
26
+ ATOM 22 OE2 GLU A 24 -1.206 -10.105 12.436 1.00 87.97
27
+ ATOM 23 N LYS A 25 -5.915 -11.516 14.992 1.00 88.26
28
+ ATOM 24 CA LYS A 25 -6.619 -10.915 16.133 1.00 88.26
29
+ ATOM 25 C LYS A 25 -7.990 -10.351 15.749 1.00 88.26
30
+ ATOM 26 O LYS A 25 -8.147 -9.776 14.681 1.00 88.26
31
+ ATOM 27 CB LYS A 25 -5.720 -9.813 16.728 1.00 88.26
32
+ ATOM 28 CG LYS A 25 -6.259 -9.342 18.078 1.00 88.26
33
+ ATOM 29 CD LYS A 25 -5.332 -8.347 18.768 1.00 88.26
34
+ ATOM 30 CE LYS A 25 -6.050 -7.949 20.059 1.00 88.26
35
+ ATOM 31 NZ LYS A 25 -5.313 -6.911 20.807 1.00 88.26
36
+ ATOM 32 N VAL A 26 -8.951 -10.414 16.670 1.00 89.41
37
+ ATOM 33 CA VAL A 26 -10.206 -9.648 16.591 1.00 89.41
38
+ ATOM 34 C VAL A 26 -9.986 -8.254 17.187 1.00 89.41
39
+ ATOM 35 O VAL A 26 -9.582 -8.123 18.348 1.00 89.41
40
+ ATOM 36 CB VAL A 26 -11.341 -10.396 17.308 1.00 89.41
41
+ ATOM 37 CG1 VAL A 26 -12.646 -9.598 17.276 1.00 89.41
42
+ ATOM 38 CG2 VAL A 26 -11.610 -11.759 16.660 1.00 89.41
43
+ ATOM 39 N LEU A 27 -10.209 -7.212 16.388 1.00 85.42
44
+ ATOM 40 CA LEU A 27 -9.943 -5.823 16.770 1.00 85.42
45
+ ATOM 41 C LEU A 27 -11.186 -5.092 17.271 1.00 85.42
46
+ ATOM 42 O LEU A 27 -11.073 -4.293 18.200 1.00 85.42
47
+ ATOM 43 CB LEU A 27 -9.335 -5.072 15.576 1.00 85.42
48
+ ATOM 44 CG LEU A 27 -7.965 -5.588 15.110 1.00 85.42
49
+ ATOM 45 CD1 LEU A 27 -7.500 -4.711 13.955 1.00 85.42
50
+ ATOM 46 CD2 LEU A 27 -6.903 -5.533 16.215 1.00 85.42
51
+ ATOM 47 N ASP A 28 -12.347 -5.358 16.673 1.00 85.98
52
+ ATOM 48 CA ASP A 28 -13.597 -4.676 17.006 1.00 85.98
53
+ ATOM 49 C ASP A 28 -14.828 -5.546 16.683 1.00 85.98
54
+ ATOM 50 O ASP A 28 -14.725 -6.542 15.964 1.00 85.98
55
+ ATOM 51 CB ASP A 28 -13.638 -3.314 16.284 1.00 85.98
56
+ ATOM 52 CG ASP A 28 -14.575 -2.297 16.949 1.00 85.98
57
+ ATOM 53 OD1 ASP A 28 -15.218 -2.654 17.965 1.00 85.98
58
+ ATOM 54 OD2 ASP A 28 -14.671 -1.171 16.417 1.00 85.98
59
+ ATOM 55 N ARG A 29 -15.999 -5.174 17.214 1.00 87.02
60
+ ATOM 56 CA ARG A 29 -17.293 -5.828 16.969 1.00 87.02
61
+ ATOM 57 C ARG A 29 -18.393 -4.793 16.779 1.00 87.02
62
+ ATOM 58 O ARG A 29 -18.644 -3.974 17.664 1.00 87.02
63
+ ATOM 59 CB ARG A 29 -17.642 -6.756 18.139 1.00 87.02
64
+ ATOM 60 CG ARG A 29 -18.960 -7.524 17.925 1.00 87.02
65
+ ATOM 61 CD ARG A 29 -19.487 -8.114 19.236 1.00 87.02
66
+ ATOM 62 NE ARG A 29 -20.028 -7.056 20.118 1.00 87.02
67
+ ATOM 63 CZ ARG A 29 -20.627 -7.230 21.280 1.00 87.02
68
+ ATOM 64 NH1 ARG A 29 -20.774 -8.416 21.798 1.00 87.02
69
+ ATOM 65 NH2 ARG A 29 -21.093 -6.210 21.944 1.00 87.02
70
+ ATOM 66 N ARG A 30 -19.172 -4.935 15.708 1.00 87.23
71
+ ATOM 67 CA ARG A 30 -20.359 -4.112 15.438 1.00 87.23
72
+ ATOM 68 C ARG A 30 -21.582 -4.963 15.110 1.00 87.23
73
+ ATOM 69 O ARG A 30 -21.474 -6.147 14.819 1.00 87.23
74
+ ATOM 70 CB ARG A 30 -20.024 -3.083 14.348 1.00 87.23
75
+ ATOM 71 CG ARG A 30 -19.895 -3.707 12.953 1.00 87.23
76
+ ATOM 72 CD ARG A 30 -19.444 -2.643 11.951 1.00 87.23
77
+ ATOM 73 NE ARG A 30 -19.440 -3.168 10.580 1.00 87.23
78
+ ATOM 74 CZ ARG A 30 -18.926 -2.614 9.506 1.00 87.23
79
+ ATOM 75 NH1 ARG A 30 -18.332 -1.453 9.538 1.00 87.23
80
+ ATOM 76 NH2 ARG A 30 -19.016 -3.247 8.379 1.00 87.23
81
+ ATOM 77 N VAL A 31 -22.760 -4.344 15.164 1.00 89.03
82
+ ATOM 78 CA VAL A 31 -24.024 -4.965 14.744 1.00 89.03
83
+ ATOM 79 C VAL A 31 -24.590 -4.166 13.577 1.00 89.03
84
+ ATOM 80 O VAL A 31 -24.924 -2.991 13.736 1.00 89.03
85
+ ATOM 81 CB VAL A 31 -25.031 -5.070 15.905 1.00 89.03
86
+ ATOM 82 CG1 VAL A 31 -26.321 -5.773 15.456 1.00 89.03
87
+ ATOM 83 CG2 VAL A 31 -24.444 -5.858 17.083 1.00 89.03
88
+ ATOM 84 N VAL A 32 -24.718 -4.799 12.412 1.00 84.01
89
+ ATOM 85 CA VAL A 32 -25.228 -4.192 11.176 1.00 84.01
90
+ ATOM 86 C VAL A 32 -26.402 -5.022 10.672 1.00 84.01
91
+ ATOM 87 O VAL A 32 -26.297 -6.225 10.470 1.00 84.01
92
+ ATOM 88 CB VAL A 32 -24.119 -4.068 10.109 1.00 84.01
93
+ ATOM 89 CG1 VAL A 32 -24.668 -3.483 8.799 1.00 84.01
94
+ ATOM 90 CG2 VAL A 32 -23.009 -3.127 10.588 1.00 84.01
95
+ ATOM 91 N LYS A 33 -27.569 -4.386 10.491 1.00 86.58
96
+ ATOM 92 CA LYS A 33 -28.808 -5.047 10.017 1.00 86.58
97
+ ATOM 93 C LYS A 33 -29.193 -6.312 10.814 1.00 86.58
98
+ ATOM 94 O LYS A 33 -29.788 -7.234 10.268 1.00 86.58
99
+ ATOM 95 CB LYS A 33 -28.711 -5.333 8.505 1.00 86.58
100
+ ATOM 96 CG LYS A 33 -28.545 -4.072 7.644 1.00 86.58
101
+ ATOM 97 CD LYS A 33 -28.381 -4.482 6.176 1.00 86.58
102
+ ATOM 98 CE LYS A 33 -28.215 -3.253 5.277 1.00 86.58
103
+ ATOM 99 NZ LYS A 33 -27.881 -3.655 3.887 1.00 86.58
104
+ ATOM 100 N GLY A 34 -28.869 -6.346 12.108 1.00 85.72
105
+ ATOM 101 CA GLY A 34 -29.142 -7.486 12.991 1.00 85.72
106
+ ATOM 102 C GLY A 34 -28.121 -8.626 12.911 1.00 85.72
107
+ ATOM 103 O GLY A 34 -28.240 -9.569 13.687 1.00 85.72
108
+ ATOM 104 N LYS A 35 -27.117 -8.531 12.033 1.00 83.79
109
+ ATOM 105 CA LYS A 35 -25.971 -9.442 11.985 1.00 83.79
110
+ ATOM 106 C LYS A 35 -24.797 -8.847 12.761 1.00 83.79
111
+ ATOM 107 O LYS A 35 -24.593 -7.631 12.748 1.00 83.79
112
+ ATOM 108 CB LYS A 35 -25.587 -9.743 10.529 1.00 83.79
113
+ ATOM 109 CG LYS A 35 -26.679 -10.522 9.771 1.00 83.79
114
+ ATOM 110 CD LYS A 35 -26.117 -11.017 8.431 1.00 83.79
115
+ ATOM 111 CE LYS A 35 -27.041 -12.017 7.722 1.00 83.79
116
+ ATOM 112 NZ LYS A 35 -26.261 -12.844 6.757 1.00 83.79
117
+ ATOM 113 N VAL A 36 -24.062 -9.695 13.472 1.00 87.43
118
+ ATOM 114 CA VAL A 36 -22.822 -9.310 14.154 1.00 87.43
119
+ ATOM 115 C VAL A 36 -21.678 -9.437 13.156 1.00 87.43
120
+ ATOM 116 O VAL A 36 -21.576 -10.443 12.460 1.00 87.43
121
+ ATOM 117 CB VAL A 36 -22.566 -10.173 15.403 1.00 87.43
122
+ ATOM 118 CG1 VAL A 36 -21.315 -9.704 16.157 1.00 87.43
123
+ ATOM 119 CG2 VAL A 36 -23.745 -10.100 16.387 1.00 87.43
124
+ ATOM 120 N GLU A 37 -20.834 -8.415 13.095 1.00 89.11
125
+ ATOM 121 CA GLU A 37 -19.614 -8.399 12.292 1.00 89.11
126
+ ATOM 122 C GLU A 37 -18.423 -8.088 13.199 1.00 89.11
127
+ ATOM 123 O GLU A 37 -18.538 -7.297 14.147 1.00 89.11
128
+ ATOM 124 CB GLU A 37 -19.712 -7.357 11.167 1.00 89.11
129
+ ATOM 125 CG GLU A 37 -20.781 -7.666 10.102 1.00 89.11
130
+ ATOM 126 CD GLU A 37 -20.981 -6.510 9.103 1.00 89.11
131
+ ATOM 127 OE1 GLU A 37 -21.851 -6.636 8.214 1.00 89.11
132
+ ATOM 128 OE2 GLU A 37 -20.371 -5.423 9.287 1.00 89.11
133
+ ATOM 129 N TYR A 38 -17.276 -8.680 12.885 1.00 87.73
134
+ ATOM 130 CA TYR A 38 -16.019 -8.472 13.589 1.00 87.73
135
+ ATOM 131 C TYR A 38 -14.968 -7.905 12.645 1.00 87.73
136
+ ATOM 132 O TYR A 38 -14.834 -8.360 11.514 1.00 87.73
137
+ ATOM 133 CB TYR A 38 -15.541 -9.786 14.202 1.00 87.73
138
+ ATOM 134 CG TYR A 38 -16.406 -10.288 15.342 1.00 87.73
139
+ ATOM 135 CD1 TYR A 38 -16.091 -9.903 16.657 1.00 87.73
140
+ ATOM 136 CD2 TYR A 38 -17.518 -11.121 15.103 1.00 87.73
141
+ ATOM 137 CE1 TYR A 38 -16.831 -10.404 17.741 1.00 87.73
142
+ ATOM 138 CE2 TYR A 38 -18.295 -11.588 16.182 1.00 87.73
143
+ ATOM 139 CZ TYR A 38 -17.940 -11.242 17.501 1.00 87.73
144
+ ATOM 140 OH TYR A 38 -18.658 -11.703 18.559 1.00 87.73
145
+ ATOM 141 N LEU A 39 -14.212 -6.918 13.121 1.00 91.13
146
+ ATOM 142 CA LEU A 39 -13.054 -6.405 12.398 1.00 91.13
147
+ ATOM 143 C LEU A 39 -11.872 -7.331 12.668 1.00 91.13
148
+ ATOM 144 O LEU A 39 -11.407 -7.420 13.812 1.00 91.13
149
+ ATOM 145 CB LEU A 39 -12.769 -4.960 12.826 1.00 91.13
150
+ ATOM 146 CG LEU A 39 -11.603 -4.308 12.063 1.00 91.13
151
+ ATOM 147 CD1 LEU A 39 -11.891 -4.177 10.569 1.00 91.13
152
+ ATOM 148 CD2 LEU A 39 -11.356 -2.911 12.632 1.00 91.13
153
+ ATOM 149 N LEU A 40 -11.399 -8.018 11.635 1.00 89.73
154
+ ATOM 150 CA LEU A 40 -10.320 -8.986 11.764 1.00 89.73
155
+ ATOM 151 C LEU A 40 -8.986 -8.405 11.323 1.00 89.73
156
+ ATOM 152 O LEU A 40 -8.886 -7.767 10.281 1.00 89.73
157
+ ATOM 153 CB LEU A 40 -10.632 -10.247 10.959 1.00 89.73
158
+ ATOM 154 CG LEU A 40 -11.940 -10.967 11.321 1.00 89.73
159
+ ATOM 155 CD1 LEU A 40 -11.933 -12.306 10.590 1.00 89.73
160
+ ATOM 156 CD2 LEU A 40 -12.103 -11.216 12.826 1.00 89.73
161
+ ATOM 157 N LYS A 41 -7.950 -8.694 12.110 1.00 88.65
162
+ ATOM 158 CA LYS A 41 -6.559 -8.589 11.692 1.00 88.65
163
+ ATOM 159 C LYS A 41 -6.129 -9.910 11.090 1.00 88.65
164
+ ATOM 160 O LYS A 41 -6.088 -10.909 11.805 1.00 88.65
165
+ ATOM 161 CB LYS A 41 -5.674 -8.166 12.874 1.00 88.65
166
+ ATOM 162 CG LYS A 41 -4.186 -8.043 12.519 1.00 88.65
167
+ ATOM 163 CD LYS A 41 -3.942 -7.056 11.378 1.00 88.65
168
+ ATOM 164 CE LYS A 41 -2.458 -6.856 11.100 1.00 88.65
169
+ ATOM 165 NZ LYS A 41 -1.835 -8.110 10.626 1.00 88.65
170
+ ATOM 166 N TRP A 42 -5.769 -9.913 9.815 1.00 91.09
171
+ ATOM 167 CA TRP A 42 -5.306 -11.111 9.120 1.00 91.09
172
+ ATOM 168 C TRP A 42 -3.805 -11.332 9.321 1.00 91.09
173
+ ATOM 169 O TRP A 42 -3.001 -10.390 9.301 1.00 91.09
174
+ ATOM 170 CB TRP A 42 -5.695 -11.016 7.648 1.00 91.09
175
+ ATOM 171 CG TRP A 42 -7.164 -11.016 7.403 1.00 91.09
176
+ ATOM 172 CD1 TRP A 42 -7.881 -9.998 6.872 1.00 91.09
177
+ ATOM 173 CD2 TRP A 42 -8.107 -12.101 7.626 1.00 91.09
178
+ ATOM 174 NE1 TRP A 42 -9.201 -10.384 6.741 1.00 91.09
179
+ ATOM 175 CE2 TRP A 42 -9.386 -11.681 7.158 1.00 91.09
180
+ ATOM 176 CE3 TRP A 42 -7.999 -13.415 8.133 1.00 91.09
181
+ ATOM 177 CZ2 TRP A 42 -10.490 -12.538 7.137 1.00 91.09
182
+ ATOM 178 CZ3 TRP A 42 -9.110 -14.281 8.123 1.00 91.09
183
+ ATOM 179 CH2 TRP A 42 -10.343 -13.853 7.601 1.00 91.09
184
+ ATOM 180 N LYS A 43 -3.408 -12.588 9.534 1.00 84.24
185
+ ATOM 181 CA LYS A 43 -2.015 -12.969 9.771 1.00 84.24
186
+ ATOM 182 C LYS A 43 -1.206 -12.813 8.489 1.00 84.24
187
+ ATOM 183 O LYS A 43 -1.492 -13.457 7.489 1.00 84.24
188
+ ATOM 184 CB LYS A 43 -1.972 -14.406 10.303 1.00 84.24
189
+ ATOM 185 CG LYS A 43 -0.557 -14.820 10.728 1.00 84.24
190
+ ATOM 186 CD LYS A 43 -0.590 -16.247 11.275 1.00 84.24
191
+ ATOM 187 CE LYS A 43 0.794 -16.666 11.773 1.00 84.24
192
+ ATOM 188 NZ LYS A 43 0.738 -18.036 12.338 1.00 84.24
193
+ ATOM 189 N GLY A 44 -0.155 -11.999 8.550 1.00 84.83
194
+ ATOM 190 CA GLY A 44 0.719 -11.725 7.403 1.00 84.83
195
+ ATOM 191 C GLY A 44 0.253 -10.577 6.504 1.00 84.83
196
+ ATOM 192 O GLY A 44 1.011 -10.179 5.627 1.00 84.83
197
+ ATOM 193 N GLY A 45 -0.926 -10.010 6.763 1.00 79.32
198
+ ATOM 194 CA GLY A 45 -1.425 -8.808 6.094 1.00 79.32
199
+ ATOM 195 C GLY A 45 -1.252 -7.580 6.990 1.00 79.32
200
+ ATOM 196 O GLY A 45 -0.921 -7.706 8.174 1.00 79.32
201
+ ATOM 197 N SER A 46 -1.421 -6.387 6.436 1.00 81.28
202
+ ATOM 198 CA SER A 46 -1.321 -5.140 7.195 1.00 81.28
203
+ ATOM 199 C SER A 46 -2.648 -4.805 7.888 1.00 81.28
204
+ ATOM 200 O SER A 46 -3.665 -5.443 7.638 1.00 81.28
205
+ ATOM 201 CB SER A 46 -0.854 -4.029 6.258 1.00 81.28
206
+ ATOM 202 OG SER A 46 -1.899 -3.611 5.416 1.00 81.28
207
+ ATOM 203 N ASP A 47 -2.657 -3.799 8.767 1.00 78.48
208
+ ATOM 204 CA ASP A 47 -3.906 -3.310 9.372 1.00 78.48
209
+ ATOM 205 C ASP A 47 -4.841 -2.629 8.343 1.00 78.48
210
+ ATOM 206 O ASP A 47 -6.019 -2.411 8.626 1.00 78.48
211
+ ATOM 207 CB ASP A 47 -3.605 -2.327 10.523 1.00 78.48
212
+ ATOM 208 CG ASP A 47 -2.975 -2.933 11.786 1.00 78.48
213
+ ATOM 209 OD1 ASP A 47 -2.935 -4.173 11.922 1.00 78.48
214
+ ATOM 210 OD2 ASP A 47 -2.555 -2.142 12.660 1.00 78.48
215
+ ATOM 211 N GLU A 48 -4.325 -2.270 7.161 1.00 79.48
216
+ ATOM 212 CA GLU A 48 -5.109 -1.679 6.065 1.00 79.48
217
+ ATOM 213 C GLU A 48 -5.996 -2.728 5.381 1.00 79.48
218
+ ATOM 214 O GLU A 48 -7.055 -2.391 4.859 1.00 79.48
219
+ ATOM 215 CB GLU A 48 -4.172 -1.010 5.036 1.00 79.48
220
+ ATOM 216 CG GLU A 48 -3.312 0.117 5.646 1.00 79.48
221
+ ATOM 217 CD GLU A 48 -2.298 0.764 4.677 1.00 79.48
222
+ ATOM 218 OE1 GLU A 48 -1.611 1.728 5.109 1.00 79.48
223
+ ATOM 219 OE2 GLU A 48 -2.114 0.287 3.541 1.00 79.48
224
+ ATOM 220 N ASP A 49 -5.597 -4.000 5.457 1.00 81.67
225
+ ATOM 221 CA ASP A 49 -6.321 -5.143 4.899 1.00 81.67
226
+ ATOM 222 C ASP A 49 -7.386 -5.687 5.866 1.00 81.67
227
+ ATOM 223 O ASP A 49 -8.009 -6.714 5.604 1.00 81.67
228
+ ATOM 224 CB ASP A 49 -5.314 -6.242 4.537 1.00 81.67
229
+ ATOM 225 CG ASP A 49 -4.183 -5.747 3.631 1.00 81.67
230
+ ATOM 226 OD1 ASP A 49 -4.472 -4.957 2.710 1.00 81.67
231
+ ATOM 227 OD2 ASP A 49 -3.017 -6.168 3.873 1.00 81.67
232
+ ATOM 228 N ASN A 50 -7.586 -5.040 7.018 1.00 86.89
233
+ ATOM 229 CA ASN A 50 -8.564 -5.487 8.000 1.00 86.89
234
+ ATOM 230 C ASN A 50 -9.983 -5.349 7.440 1.00 86.89
235
+ ATOM 231 O ASN A 50 -10.435 -4.249 7.110 1.00 86.89
236
+ ATOM 232 CB ASN A 50 -8.416 -4.688 9.300 1.00 86.89
237
+ ATOM 233 CG ASN A 50 -7.112 -4.925 10.026 1.00 86.89
238
+ ATOM 234 OD1 ASN A 50 -6.370 -5.863 9.807 1.00 86.89
239
+ ATOM 235 ND2 ASN A 50 -6.777 -4.064 10.954 1.00 86.89
240
+ ATOM 236 N THR A 51 -10.722 -6.452 7.413 1.00 89.26
241
+ ATOM 237 CA THR A 51 -12.095 -6.494 6.904 1.00 89.26
242
+ ATOM 238 C THR A 51 -13.094 -6.791 8.016 1.00 89.26
243
+ ATOM 239 O THR A 51 -12.758 -7.325 9.077 1.00 89.26
244
+ ATOM 240 CB THR A 51 -12.245 -7.473 5.733 1.00 89.26
245
+ ATOM 241 OG1 THR A 51 -11.853 -8.755 6.129 1.00 89.26
246
+ ATOM 242 CG2 THR A 51 -11.399 -7.061 4.530 1.00 89.26
247
+ ATOM 243 N TRP A 52 -14.337 -6.360 7.796 1.00 92.85
248
+ ATOM 244 CA TRP A 52 -15.459 -6.680 8.668 1.00 92.85
249
+ ATOM 245 C TRP A 52 -16.107 -7.966 8.178 1.00 92.85
250
+ ATOM 246 O TRP A 52 -16.850 -7.931 7.200 1.00 92.85
251
+ ATOM 247 CB TRP A 52 -16.472 -5.533 8.688 1.00 92.85
252
+ ATOM 248 CG TRP A 52 -16.062 -4.342 9.492 1.00 92.85
253
+ ATOM 249 CD1 TRP A 52 -15.423 -3.248 9.024 1.00 92.85
254
+ ATOM 250 CD2 TRP A 52 -16.192 -4.149 10.929 1.00 92.85
255
+ ATOM 251 NE1 TRP A 52 -15.196 -2.365 10.064 1.00 92.85
256
+ ATOM 252 CE2 TRP A 52 -15.670 -2.864 11.260 1.00 92.85
257
+ ATOM 253 CE3 TRP A 52 -16.664 -4.946 11.990 1.00 92.85
258
+ ATOM 254 CZ2 TRP A 52 -15.669 -2.371 12.573 1.00 92.85
259
+ ATOM 255 CZ3 TRP A 52 -16.626 -4.479 13.317 1.00 92.85
260
+ ATOM 256 CH2 TRP A 52 -16.163 -3.184 13.608 1.00 92.85
261
+ ATOM 257 N GLU A 53 -15.861 -9.060 8.886 1.00 88.62
262
+ ATOM 258 CA GLU A 53 -16.419 -10.365 8.548 1.00 88.62
263
+ ATOM 259 C GLU A 53 -17.618 -10.687 9.443 1.00 88.62
264
+ ATOM 260 O GLU A 53 -17.580 -10.428 10.656 1.00 88.62
265
+ ATOM 261 CB GLU A 53 -15.348 -11.452 8.652 1.00 88.62
266
+ ATOM 262 CG GLU A 53 -14.184 -11.270 7.668 1.00 88.62
267
+ ATOM 263 CD GLU A 53 -14.644 -11.066 6.219 1.00 88.62
268
+ ATOM 264 OE1 GLU A 53 -14.054 -10.172 5.563 1.00 88.62
269
+ ATOM 265 OE2 GLU A 53 -15.616 -11.747 5.823 1.00 88.62
270
+ ATOM 266 N PRO A 54 -18.710 -11.228 8.881 1.00 88.19
271
+ ATOM 267 CA PRO A 54 -19.859 -11.624 9.674 1.00 88.19
272
+ ATOM 268 C PRO A 54 -19.484 -12.804 10.574 1.00 88.19
273
+ ATOM 269 O PRO A 54 -18.678 -13.646 10.200 1.00 88.19
274
+ ATOM 270 CB PRO A 54 -20.946 -11.948 8.649 1.00 88.19
275
+ ATOM 271 CG PRO A 54 -20.158 -12.469 7.445 1.00 88.19
276
+ ATOM 272 CD PRO A 54 -18.879 -11.629 7.487 1.00 88.19
277
+ ATOM 273 N GLU A 55 -20.102 -12.895 11.754 1.00 86.52
278
+ ATOM 274 CA GLU A 55 -19.836 -13.977 12.721 1.00 86.52
279
+ ATOM 275 C GLU A 55 -19.974 -15.382 12.102 1.00 86.52
280
+ ATOM 276 O GLU A 55 -19.265 -16.300 12.496 1.00 86.52
281
+ ATOM 277 CB GLU A 55 -20.792 -13.796 13.916 1.00 86.52
282
+ ATOM 278 CG GLU A 55 -20.559 -14.776 15.083 1.00 86.52
283
+ ATOM 279 CD GLU A 55 -21.477 -14.520 16.298 1.00 86.52
284
+ ATOM 280 OE1 GLU A 55 -21.323 -15.232 17.318 1.00 86.52
285
+ ATOM 281 OE2 GLU A 55 -22.325 -13.594 16.245 1.00 86.52
286
+ ATOM 282 N GLU A 56 -20.841 -15.533 11.095 1.00 87.64
287
+ ATOM 283 CA GLU A 56 -21.049 -16.786 10.357 1.00 87.64
288
+ ATOM 284 C GLU A 56 -19.845 -17.231 9.500 1.00 87.64
289
+ ATOM 285 O GLU A 56 -19.740 -18.420 9.218 1.00 87.64
290
+ ATOM 286 CB GLU A 56 -22.371 -16.698 9.555 1.00 87.64
291
+ ATOM 287 CG GLU A 56 -22.390 -15.685 8.387 1.00 87.64
292
+ ATOM 288 CD GLU A 56 -23.809 -15.301 7.888 1.00 87.64
293
+ ATOM 289 OE1 GLU A 56 -23.990 -14.210 7.284 1.00 87.64
294
+ ATOM 290 OE2 GLU A 56 -24.808 -15.996 8.183 1.00 87.64
295
+ ATOM 291 N ASN A 57 -18.922 -16.323 9.154 1.00 84.99
296
+ ATOM 292 CA ASN A 57 -17.693 -16.608 8.396 1.00 84.99
297
+ ATOM 293 C ASN A 57 -16.472 -16.895 9.289 1.00 84.99
298
+ ATOM 294 O ASN A 57 -15.368 -17.090 8.784 1.00 84.99
299
+ ATOM 295 CB ASN A 57 -17.398 -15.436 7.431 1.00 84.99
300
+ ATOM 296 CG ASN A 57 -17.726 -15.792 5.995 1.00 84.99
301
+ ATOM 297 OD1 ASN A 57 -18.854 -16.120 5.669 1.00 84.99
302
+ ATOM 298 ND2 ASN A 57 -16.768 -15.735 5.102 1.00 84.99
303
+ ATOM 299 N LEU A 58 -16.622 -16.861 10.618 1.00 84.51
304
+ ATOM 300 CA LEU A 58 -15.490 -16.921 11.540 1.00 84.51
305
+ ATOM 301 C LEU A 58 -15.327 -18.304 12.165 1.00 84.51
306
+ ATOM 302 O LEU A 58 -16.100 -18.682 13.042 1.00 84.51
307
+ ATOM 303 CB LEU A 58 -15.645 -15.855 12.636 1.00 84.51
308
+ ATOM 304 CG LEU A 58 -15.760 -14.425 12.109 1.00 84.51
309
+ ATOM 305 CD1 LEU A 58 -15.851 -13.444 13.272 1.00 84.51
310
+ ATOM 306 CD2 LEU A 58 -14.554 -14.039 11.273 1.00 84.51
311
+ ATOM 307 N ASP A 59 -14.229 -18.986 11.837 1.00 83.90
312
+ ATOM 308 CA ASP A 59 -13.791 -20.202 12.540 1.00 83.90
313
+ ATOM 309 C ASP A 59 -12.655 -19.913 13.545 1.00 83.90
314
+ ATOM 310 O ASP A 59 -11.582 -20.512 13.536 1.00 83.90
315
+ ATOM 311 CB ASP A 59 -13.491 -21.338 11.548 1.00 83.90
316
+ ATOM 312 CG ASP A 59 -13.443 -22.709 12.247 1.00 83.90
317
+ ATOM 313 OD1 ASP A 59 -14.054 -22.843 13.338 1.00 83.90
318
+ ATOM 314 OD2 ASP A 59 -12.811 -23.635 11.696 1.00 83.90
319
+ ATOM 315 N CYS A 60 -12.850 -18.906 14.408 1.00 84.08
320
+ ATOM 316 CA CYS A 60 -11.880 -18.531 15.450 1.00 84.08
321
+ ATOM 317 C CYS A 60 -12.537 -18.213 16.813 1.00 84.08
322
+ ATOM 318 O CYS A 60 -12.394 -17.106 17.348 1.00 84.08
323
+ ATOM 319 CB CYS A 60 -10.942 -17.430 14.929 1.00 84.08
324
+ ATOM 320 SG CYS A 60 -11.849 -15.943 14.411 1.00 84.08
325
+ ATOM 321 N PRO A 61 -13.240 -19.184 17.428 1.00 87.08
326
+ ATOM 322 CA PRO A 61 -13.996 -18.967 18.664 1.00 87.08
327
+ ATOM 323 C PRO A 61 -13.131 -18.470 19.832 1.00 87.08
328
+ ATOM 324 O PRO A 61 -13.599 -17.656 20.630 1.00 87.08
329
+ ATOM 325 CB PRO A 61 -14.644 -20.321 18.978 1.00 87.08
330
+ ATOM 326 CG PRO A 61 -13.746 -21.338 18.272 1.00 87.08
331
+ ATOM 327 CD PRO A 61 -13.314 -20.582 17.021 1.00 87.08
332
+ ATOM 328 N ASP A 62 -11.869 -18.902 19.916 1.00 85.72
333
+ ATOM 329 CA ASP A 62 -10.952 -18.504 20.990 1.00 85.72
334
+ ATOM 330 C ASP A 62 -10.622 -17.001 20.949 1.00 85.72
335
+ ATOM 331 O ASP A 62 -10.698 -16.321 21.975 1.00 85.72
336
+ ATOM 332 CB ASP A 62 -9.664 -19.342 20.913 1.00 85.72
337
+ ATOM 333 CG ASP A 62 -9.872 -20.825 21.246 1.00 85.72
338
+ ATOM 334 OD1 ASP A 62 -10.747 -21.123 22.091 1.00 85.72
339
+ ATOM 335 OD2 ASP A 62 -9.127 -21.647 20.672 1.00 85.72
340
+ ATOM 336 N LEU A 63 -10.332 -16.453 19.759 1.00 87.28
341
+ ATOM 337 CA LEU A 63 -10.021 -15.027 19.584 1.00 87.28
342
+ ATOM 338 C LEU A 63 -11.246 -14.147 19.851 1.00 87.28
343
+ ATOM 339 O LEU A 63 -11.137 -13.084 20.468 1.00 87.28
344
+ ATOM 340 CB LEU A 63 -9.498 -14.765 18.158 1.00 87.28
345
+ ATOM 341 CG LEU A 63 -8.142 -15.406 17.816 1.00 87.28
346
+ ATOM 342 CD1 LEU A 63 -7.790 -15.078 16.365 1.00 87.28
347
+ ATOM 343 CD2 LEU A 63 -7.012 -14.873 18.699 1.00 87.28
348
+ ATOM 344 N ILE A 64 -12.427 -14.603 19.424 1.00 87.14
349
+ ATOM 345 CA ILE A 64 -13.693 -13.918 19.702 1.00 87.14
350
+ ATOM 346 C ILE A 64 -13.981 -13.933 21.206 1.00 87.14
351
+ ATOM 347 O ILE A 64 -14.361 -12.905 21.773 1.00 87.14
352
+ ATOM 348 CB ILE A 64 -14.843 -14.559 18.895 1.00 87.14
353
+ ATOM 349 CG1 ILE A 64 -14.605 -14.386 17.378 1.00 87.14
354
+ ATOM 350 CG2 ILE A 64 -16.189 -13.927 19.302 1.00 87.14
355
+ ATOM 351 CD1 ILE A 64 -15.571 -15.208 16.519 1.00 87.14
356
+ ATOM 352 N ALA A 65 -13.783 -15.070 21.878 1.00 88.46
357
+ ATOM 353 CA ALA A 65 -13.995 -15.191 23.315 1.00 88.46
358
+ ATOM 354 C ALA A 65 -13.058 -14.269 24.108 1.00 88.46
359
+ ATOM 355 O ALA A 65 -13.526 -13.572 25.014 1.00 88.46
360
+ ATOM 356 CB ALA A 65 -13.828 -16.658 23.724 1.00 88.46
361
+ ATOM 357 N GLU A 66 -11.772 -14.215 23.749 1.00 85.60
362
+ ATOM 358 CA GLU A 66 -10.797 -13.297 24.351 1.00 85.60
363
+ ATOM 359 C GLU A 66 -11.224 -11.833 24.155 1.00 85.60
364
+ ATOM 360 O GLU A 66 -11.284 -11.055 25.116 1.00 85.60
365
+ ATOM 361 CB GLU A 66 -9.404 -13.557 23.747 1.00 85.60
366
+ ATOM 362 CG GLU A 66 -8.315 -12.764 24.490 1.00 85.60
367
+ ATOM 363 CD GLU A 66 -6.909 -12.888 23.877 1.00 85.60
368
+ ATOM 364 OE1 GLU A 66 -6.046 -12.068 24.277 1.00 85.60
369
+ ATOM 365 OE2 GLU A 66 -6.693 -13.764 23.014 1.00 85.60
370
+ ATOM 366 N PHE A 67 -11.618 -11.471 22.930 1.00 86.86
371
+ ATOM 367 CA PHE A 67 -12.106 -10.131 22.617 1.00 86.86
372
+ ATOM 368 C PHE A 67 -13.344 -9.765 23.453 1.00 86.86
373
+ ATOM 369 O PHE A 67 -13.361 -8.727 24.120 1.00 86.86
374
+ ATOM 370 CB PHE A 67 -12.374 -10.024 21.111 1.00 86.86
375
+ ATOM 371 CG PHE A 67 -12.972 -8.690 20.727 1.00 86.86
376
+ ATOM 372 CD1 PHE A 67 -14.366 -8.555 20.603 1.00 86.86
377
+ ATOM 373 CD2 PHE A 67 -12.142 -7.565 20.572 1.00 86.86
378
+ ATOM 374 CE1 PHE A 67 -14.928 -7.292 20.354 1.00 86.86
379
+ ATOM 375 CE2 PHE A 67 -12.707 -6.306 20.309 1.00 86.86
380
+ ATOM 376 CZ PHE A 67 -14.100 -6.168 20.204 1.00 86.86
381
+ ATOM 377 N LEU A 68 -14.361 -10.630 23.503 1.00 85.81
382
+ ATOM 378 CA LEU A 68 -15.589 -10.383 24.267 1.00 85.81
383
+ ATOM 379 C LEU A 68 -15.342 -10.295 25.780 1.00 85.81
384
+ ATOM 380 O LEU A 68 -16.010 -9.510 26.460 1.00 85.81
385
+ ATOM 381 CB LEU A 68 -16.609 -11.496 23.973 1.00 85.81
386
+ ATOM 382 CG LEU A 68 -17.211 -11.484 22.557 1.00 85.81
387
+ ATOM 383 CD1 LEU A 68 -18.149 -12.683 22.415 1.00 85.81
388
+ ATOM 384 CD2 LEU A 68 -18.020 -10.217 22.275 1.00 85.81
389
+ ATOM 385 N GLN A 69 -14.401 -11.075 26.319 1.00 85.53
390
+ ATOM 386 CA GLN A 69 -14.001 -10.975 27.726 1.00 85.53
391
+ ATOM 387 C GLN A 69 -13.377 -9.608 28.023 1.00 85.53
392
+ ATOM 388 O GLN A 69 -13.786 -8.956 28.986 1.00 85.53
393
+ ATOM 389 CB GLN A 69 -13.029 -12.107 28.086 1.00 85.53
394
+ ATOM 390 CG GLN A 69 -13.747 -13.454 28.248 1.00 85.53
395
+ ATOM 391 CD GLN A 69 -12.764 -14.596 28.480 1.00 85.53
396
+ ATOM 392 OE1 GLN A 69 -11.790 -14.476 29.200 1.00 85.53
397
+ ATOM 393 NE2 GLN A 69 -12.996 -15.758 27.913 1.00 85.53
398
+ ATOM 394 N SER A 70 -12.478 -9.132 27.156 1.00 81.21
399
+ ATOM 395 CA SER A 70 -11.841 -7.818 27.318 1.00 81.21
400
+ ATOM 396 C SER A 70 -12.852 -6.657 27.282 1.00 81.21
401
+ ATOM 397 O SER A 70 -12.757 -5.719 28.078 1.00 81.21
402
+ ATOM 398 CB SER A 70 -10.729 -7.644 26.274 1.00 81.21
403
+ ATOM 399 OG SER A 70 -11.226 -7.342 24.985 1.00 81.21
404
+ ATOM 400 N GLN A 71 -13.890 -6.762 26.442 1.00 77.73
405
+ ATOM 401 CA GLN A 71 -14.962 -5.764 26.337 1.00 77.73
406
+ ATOM 402 C GLN A 71 -15.856 -5.717 27.586 1.00 77.73
407
+ ATOM 403 O GLN A 71 -16.263 -4.638 28.019 1.00 77.73
408
+ ATOM 404 CB GLN A 71 -15.806 -6.064 25.086 1.00 77.73
409
+ ATOM 405 CG GLN A 71 -15.059 -5.773 23.774 1.00 77.73
410
+ ATOM 406 CD GLN A 71 -14.788 -4.287 23.573 1.00 77.73
411
+ ATOM 407 OE1 GLN A 71 -15.654 -3.449 23.758 1.00 77.73
412
+ ATOM 408 NE2 GLN A 71 -13.589 -3.908 23.199 1.00 77.73
413
+ ATOM 409 N LYS A 72 -16.146 -6.869 28.209 1.00 74.98
414
+ ATOM 410 CA LYS A 72 -16.955 -6.918 29.442 1.00 74.98
415
+ ATOM 411 C LYS A 72 -16.254 -6.218 30.603 1.00 74.98
416
+ ATOM 412 O LYS A 72 -16.881 -5.412 31.285 1.00 74.98
417
+ ATOM 413 CB LYS A 72 -17.292 -8.366 29.814 1.00 74.98
418
+ ATOM 414 CG LYS A 72 -18.366 -8.953 28.889 1.00 74.98
419
+ ATOM 415 CD LYS A 72 -18.581 -10.433 29.217 1.00 74.98
420
+ ATOM 416 CE LYS A 72 -19.616 -11.040 28.267 1.00 74.98
421
+ ATOM 417 NZ LYS A 72 -19.810 -12.486 28.541 1.00 74.98
422
+ ATOM 418 OXT LYS A 72 -15.042 -6.478 30.795 1.00 74.98
6d08/6d08_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,145 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+
2
+ RDKit 3D
3
+
4
+ 69 69 0 0 0 0 0 0 0 0999 V2000
5
+ -8.1659 -25.1772 17.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
6
+ -6.6817 -24.7782 17.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ -6.3289 -24.3774 18.7649 N 0 0 0 0 0 0 0 0 0 0 0 0
8
+ -6.3927 -23.6552 16.4197 C 0 0 0 0 0 0 0 0 0 0 0 0
9
+ -6.0507 -22.5415 16.8152 O 0 0 0 0 0 0 0 0 0 0 0 0
10
+ -6.5348 -23.9565 15.1323 N 0 0 0 0 0 0 0 0 0 0 0 0
11
+ -6.2613 -22.9695 14.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
12
+ -6.1500 -23.6516 12.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
13
+ -5.1754 -22.9895 11.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
14
+ -4.9983 -23.8266 10.5207 C 0 0 0 0 0 0 0 0 0 0 0 0
15
+ -3.6811 -23.5113 9.8323 C 0 0 0 0 0 0 0 0 0 0 0 0
16
+ -3.4800 -24.3394 8.6111 N 0 0 0 0 0 0 0 0 0 0 0 0
17
+ -7.3612 -21.9143 14.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
18
+ -8.5469 -22.2397 13.9585 O 0 0 0 0 0 0 0 0 0 0 0 0
19
+ -6.9664 -20.6494 14.1912 N 0 0 0 0 0 0 0 0 0 0 0 0
20
+ -7.9035 -19.5302 14.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
21
+ -7.4452 -18.4004 15.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
22
+ -7.0951 -18.8473 16.4688 C 0 0 0 0 0 0 0 0 0 0 0 0
23
+ -8.2831 -19.4153 17.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
24
+ -8.1997 -20.6895 17.5834 N 0 0 0 0 0 0 0 0 0 0 0 0
25
+ -9.2628 -18.7168 17.4788 O 0 0 0 0 0 0 0 0 0 0 0 0
26
+ -8.0031 -19.0778 12.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
27
+ -7.0945 -18.4299 12.1642 O 0 0 0 0 0 0 0 0 0 0 0 0
28
+ -9.1040 -19.4313 12.0321 N 0 0 0 0 0 0 0 0 0 0 0 0
29
+ -9.3204 -19.1049 10.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
30
+ -10.6306 -18.3448 10.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
31
+ -11.4468 -18.2802 11.4067 O 0 0 0 0 0 0 0 0 0 0 0 0
32
+ -10.8285 -17.7666 9.3023 N 0 0 0 0 0 0 0 0 0 0 0 0
33
+ -12.0878 -17.1128 8.9864 C 0 0 0 0 0 0 0 0 0 0 0 0
34
+ -12.2093 -15.7349 9.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
35
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36
+ -11.2080 -16.8495 6.7712 O 0 0 0 0 0 0 0 0 0 0 0 0
37
+ -13.4487 -17.0002 7.0065 N 0 0 0 0 0 0 0 0 0 0 0 0
38
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39
+ -15.1072 -17.3728 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
40
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41
+ -16.7183 -18.1375 3.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
42
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43
+ -17.8284 -17.2280 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0
44
+ -18.0881 -17.3075 0.1864 N 0 0 0 0 0 0 0 0 0 0 0 0
45
+ -18.3384 -16.2333 2.1987 N 0 0 0 0 0 0 0 0 0 0 0 0
46
+ -13.6924 -15.2939 5.2983 C 0 0 0 0 0 0 0 0 0 0 0 0
47
+ -14.1175 -14.4760 6.1149 O 0 0 0 0 0 0 0 0 0 0 0 0
48
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49
+ -13.0430 -13.5005 3.7474 C 0 0 0 0 0 0 0 0 0 0 0 0
50
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51
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52
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53
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54
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55
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56
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57
+ -4.1645 -11.6682 4.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
58
+ -2.8664 -11.2549 4.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
59
+ -2.6406 -10.2287 3.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
60
+ -3.7176 -9.6181 2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
61
+ -5.0173 -10.0325 2.7484 C 0 0 0 0 0 0 0 0 0 0 0 0
62
+ -13.9506 -13.2013 2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
63
+ -13.8080 -13.7809 1.5127 O 0 0 0 0 0 0 0 0 0 0 0 0
64
+ -14.8994 -12.2946 2.8033 N 0 0 0 0 0 0 0 0 0 0 0 0
65
+ -15.8157 -11.8781 1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
66
+ -17.1971 -11.5583 2.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
67
+ -17.8771 -12.7407 2.7053 O 0 0 0 0 0 0 0 0 0 0 0 0
68
+ -15.2700 -10.6686 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
69
+ -14.4611 -9.9113 1.5297 O 0 0 0 0 0 0 0 0 0 0 0 0
70
+ -15.6292 -10.4290 -0.1555 O 0 0 0 0 0 0 0 0 0 0 0 0
71
+ -9.3499 -20.3629 9.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
72
+ -8.1231 -21.2293 9.9929 C 0 0 0 0 0 0 0 0 0 0 0 0
73
+ -10.5287 -21.1244 10.0374 O 0 0 0 0 0 0 0 0 0 0 0 0
74
+ 3 2 1 0
75
+ 2 4 1 0
76
+ 2 1 1 0
77
+ 4 5 2 0
78
+ 4 6 1 0
79
+ 6 7 1 0
80
+ 7 13 1 0
81
+ 7 8 1 0
82
+ 13 14 2 0
83
+ 13 15 1 0
84
+ 8 9 1 0
85
+ 9 10 1 0
86
+ 10 11 1 0
87
+ 11 12 1 0
88
+ 15 16 1 0
89
+ 16 22 1 0
90
+ 16 17 1 0
91
+ 22 23 2 0
92
+ 22 24 1 0
93
+ 17 18 1 0
94
+ 18 19 1 0
95
+ 19 21 2 0
96
+ 19 20 1 0
97
+ 24 25 1 0
98
+ 25 26 1 0
99
+ 25 67 1 0
100
+ 26 27 2 0
101
+ 26 28 1 0
102
+ 67 69 1 0
103
+ 67 68 1 0
104
+ 28 29 1 0
105
+ 29 31 1 0
106
+ 29 30 1 0
107
+ 31 32 2 0
108
+ 31 33 1 0
109
+ 33 34 1 0
110
+ 34 42 1 0
111
+ 34 35 1 0
112
+ 42 43 2 0
113
+ 42 44 1 0
114
+ 35 36 1 0
115
+ 36 37 1 0
116
+ 37 38 1 0
117
+ 38 39 1 0
118
+ 39 40 2 0
119
+ 39 41 1 0
120
+ 44 45 1 0
121
+ 45 58 1 0
122
+ 45 46 1 0
123
+ 58 59 2 0
124
+ 58 60 1 0
125
+ 46 47 1 0
126
+ 47 48 1 0
127
+ 48 49 1 0
128
+ 49 50 1 0
129
+ 50 51 1 0
130
+ 51 52 1 0
131
+ 52 53 2 0
132
+ 52 57 1 0
133
+ 53 54 1 0
134
+ 54 55 2 0
135
+ 55 56 1 0
136
+ 56 57 2 0
137
+ 60 61 1 0
138
+ 61 64 1 0
139
+ 61 62 1 0
140
+ 64 65 2 0
141
+ 64 66 1 0
142
+ 62 63 1 0
143
+ M CHG 3 3 1 12 1 50 1
144
+ M END
145
+ $$$$
6d08/6d08_af2_holo_protein.pdb ADDED
@@ -0,0 +1,509 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N VAL A 22 -5.939 -17.419 7.786 1.00 0.00 N
2
+ ATOM 2 H VAL A 22 -5.148 -17.396 7.111 1.00 0.00 H
3
+ ATOM 3 CA VAL A 22 -5.658 -17.456 9.215 1.00 0.00 C
4
+ ATOM 4 C VAL A 22 -5.848 -16.059 9.792 1.00 0.00 C
5
+ ATOM 5 O VAL A 22 -5.448 -15.060 9.184 1.00 0.00 O
6
+ ATOM 6 CB VAL A 22 -4.235 -17.984 9.476 1.00 0.00 C
7
+ ATOM 7 CG1 VAL A 22 -3.966 -18.066 10.972 1.00 0.00 C
8
+ ATOM 8 CG2 VAL A 22 -4.034 -19.342 8.817 1.00 0.00 C
9
+ ATOM 9 N VAL A 23 -6.469 -15.985 10.966 1.00 0.00 N
10
+ ATOM 10 H VAL A 23 -6.777 -16.867 11.423 1.00 0.00 H
11
+ ATOM 11 CA VAL A 23 -6.736 -14.718 11.640 1.00 0.00 C
12
+ ATOM 12 C VAL A 23 -5.713 -14.513 12.743 1.00 0.00 C
13
+ ATOM 13 O VAL A 23 -5.363 -15.452 13.470 1.00 0.00 O
14
+ ATOM 14 CB VAL A 23 -8.166 -14.678 12.211 1.00 0.00 C
15
+ ATOM 15 CG1 VAL A 23 -8.442 -13.336 12.881 1.00 0.00 C
16
+ ATOM 16 CG2 VAL A 23 -9.175 -14.944 11.118 1.00 0.00 C
17
+ ATOM 17 N GLU A 24 -5.234 -13.276 12.873 1.00 0.00 N
18
+ ATOM 18 H GLU A 24 -5.551 -12.544 12.204 1.00 0.00 H
19
+ ATOM 19 CA GLU A 24 -4.285 -12.909 13.913 1.00 0.00 C
20
+ ATOM 20 C GLU A 24 -4.953 -12.335 15.156 1.00 0.00 C
21
+ ATOM 21 O GLU A 24 -4.558 -12.677 16.276 1.00 0.00 O
22
+ ATOM 22 CB GLU A 24 -3.276 -11.899 13.364 1.00 0.00 C
23
+ ATOM 23 CG GLU A 24 -2.024 -11.769 14.205 1.00 0.00 C
24
+ ATOM 24 CD GLU A 24 -0.896 -11.080 13.469 1.00 0.00 C
25
+ ATOM 25 OE1 GLU A 24 -1.152 -10.054 12.805 1.00 0.00 O
26
+ ATOM 26 OE2 GLU A 24 0.245 -11.579 13.542 1.00 0.00 O
27
+ ATOM 27 N LYS A 25 -5.965 -11.483 14.992 1.00 0.00 N
28
+ ATOM 28 H LYS A 25 -6.302 -11.268 14.032 1.00 0.00 H
29
+ ATOM 29 CA LYS A 25 -6.607 -10.848 16.135 1.00 0.00 C
30
+ ATOM 30 C LYS A 25 -7.966 -10.306 15.719 1.00 0.00 C
31
+ ATOM 31 O LYS A 25 -8.157 -9.881 14.576 1.00 0.00 O
32
+ ATOM 32 CB LYS A 25 -5.735 -9.720 16.702 1.00 0.00 C
33
+ ATOM 33 CG LYS A 25 -6.087 -9.302 18.121 1.00 0.00 C
34
+ ATOM 34 CD LYS A 25 -5.294 -8.070 18.539 1.00 0.00 C
35
+ ATOM 35 CE LYS A 25 -5.559 -7.710 19.993 1.00 0.00 C
36
+ ATOM 36 NZ LYS A 25 -4.966 -6.389 20.344 1.00 0.00 N
37
+ ATOM 37 HZ1 LYS A 25 -3.937 -6.420 20.194 1.00 0.00 H
38
+ ATOM 38 HZ2 LYS A 25 -5.383 -5.652 19.740 1.00 0.00 H
39
+ ATOM 39 HZ3 LYS A 25 -5.165 -6.176 21.342 1.00 0.00 H
40
+ ATOM 40 N VAL A 26 -8.910 -10.332 16.659 1.00 0.00 N
41
+ ATOM 41 H VAL A 26 -8.709 -10.827 17.551 1.00 0.00 H
42
+ ATOM 42 CA VAL A 26 -10.212 -9.696 16.493 1.00 0.00 C
43
+ ATOM 43 C VAL A 26 -10.142 -8.315 17.124 1.00 0.00 C
44
+ ATOM 44 O VAL A 26 -9.780 -8.180 18.300 1.00 0.00 O
45
+ ATOM 45 CB VAL A 26 -11.336 -10.535 17.125 1.00 0.00 C
46
+ ATOM 46 CG1 VAL A 26 -12.668 -9.810 16.998 1.00 0.00 C
47
+ ATOM 47 CG2 VAL A 26 -11.403 -11.914 16.478 1.00 0.00 C
48
+ ATOM 48 N LEU A 27 -10.488 -7.288 16.350 1.00 0.00 N
49
+ ATOM 49 H LEU A 27 -10.913 -7.474 15.419 1.00 0.00 H
50
+ ATOM 50 CA LEU A 27 -10.285 -5.909 16.776 1.00 0.00 C
51
+ ATOM 51 C LEU A 27 -11.551 -5.213 17.252 1.00 0.00 C
52
+ ATOM 52 O LEU A 27 -11.475 -4.387 18.166 1.00 0.00 O
53
+ ATOM 53 CB LEU A 27 -9.668 -5.092 15.636 1.00 0.00 C
54
+ ATOM 54 CG LEU A 27 -8.299 -5.543 15.121 1.00 0.00 C
55
+ ATOM 55 CD1 LEU A 27 -7.820 -4.618 14.015 1.00 0.00 C
56
+ ATOM 56 CD2 LEU A 27 -7.285 -5.609 16.251 1.00 0.00 C
57
+ ATOM 57 N ASP A 28 -12.710 -5.506 16.666 1.00 0.00 N
58
+ ATOM 58 H ASP A 28 -12.752 -6.262 15.952 1.00 0.00 H
59
+ ATOM 59 CA ASP A 28 -13.918 -4.774 17.021 1.00 0.00 C
60
+ ATOM 60 C ASP A 28 -15.136 -5.602 16.632 1.00 0.00 C
61
+ ATOM 61 O ASP A 28 -15.020 -6.672 16.030 1.00 0.00 O
62
+ ATOM 62 CB ASP A 28 -13.945 -3.395 16.355 1.00 0.00 C
63
+ ATOM 63 CG ASP A 28 -14.731 -2.374 17.160 1.00 0.00 C
64
+ ATOM 64 OD1 ASP A 28 -15.894 -2.656 17.511 1.00 0.00 O
65
+ ATOM 65 OD2 ASP A 28 -14.177 -1.293 17.453 1.00 0.00 O
66
+ ATOM 66 N ARG A 29 -16.315 -5.082 16.987 1.00 0.00 N
67
+ ATOM 67 H ARG A 29 -16.326 -4.149 17.447 1.00 0.00 H
68
+ ATOM 68 CA ARG A 29 -17.587 -5.757 16.761 1.00 0.00 C
69
+ ATOM 69 C ARG A 29 -18.651 -4.736 16.382 1.00 0.00 C
70
+ ATOM 70 O ARG A 29 -18.638 -3.606 16.876 1.00 0.00 O
71
+ ATOM 71 CB ARG A 29 -18.029 -6.531 18.010 1.00 0.00 C
72
+ ATOM 72 CG ARG A 29 -19.364 -7.250 17.879 1.00 0.00 C
73
+ ATOM 73 CD ARG A 29 -19.866 -7.725 19.236 1.00 0.00 C
74
+ ATOM 74 NE ARG A 29 -20.977 -8.666 19.120 1.00 0.00 N
75
+ ATOM 75 HE ARG A 29 -20.751 -9.679 19.054 1.00 0.00 H
76
+ ATOM 76 CZ ARG A 29 -22.259 -8.313 19.094 1.00 0.00 C
77
+ ATOM 77 NH1 ARG A 29 -22.600 -7.035 19.174 1.00 0.00 N
78
+ ATOM 78 HH11 ARG A 29 -21.865 -6.305 19.257 1.00 0.00 H
79
+ ATOM 79 HH12 ARG A 29 -23.603 -6.763 19.153 1.00 0.00 H
80
+ ATOM 80 NH2 ARG A 29 -23.201 -9.242 18.988 1.00 0.00 N
81
+ ATOM 81 HH21 ARG A 29 -22.937 -10.245 18.925 1.00 0.00 H
82
+ ATOM 82 HH22 ARG A 29 -24.203 -8.966 18.967 1.00 0.00 H
83
+ ATOM 83 N ARG A 30 -19.575 -5.140 15.510 1.00 0.00 N
84
+ ATOM 84 H ARG A 30 -19.511 -6.100 15.114 1.00 0.00 H
85
+ ATOM 85 CA ARG A 30 -20.670 -4.274 15.097 1.00 0.00 C
86
+ ATOM 86 C ARG A 30 -21.803 -5.125 14.541 1.00 0.00 C
87
+ ATOM 87 O ARG A 30 -21.658 -6.331 14.324 1.00 0.00 O
88
+ ATOM 88 CB ARG A 30 -20.213 -3.251 14.055 1.00 0.00 C
89
+ ATOM 89 CG ARG A 30 -20.124 -3.814 12.648 1.00 0.00 C
90
+ ATOM 90 CD ARG A 30 -19.559 -2.795 11.674 1.00 0.00 C
91
+ ATOM 91 NE ARG A 30 -19.579 -3.282 10.299 1.00 0.00 N
92
+ ATOM 92 HE ARG A 30 -19.972 -4.228 10.121 1.00 0.00 H
93
+ ATOM 93 CZ ARG A 30 -19.125 -2.590 9.260 1.00 0.00 C
94
+ ATOM 94 NH1 ARG A 30 -18.609 -1.384 9.444 1.00 0.00 N
95
+ ATOM 95 HH11 ARG A 30 -18.560 -0.980 10.401 1.00 0.00 H
96
+ ATOM 96 HH12 ARG A 30 -18.253 -0.840 8.632 1.00 0.00 H
97
+ ATOM 97 NH2 ARG A 30 -19.182 -3.106 8.039 1.00 0.00 N
98
+ ATOM 98 HH21 ARG A 30 -19.582 -4.055 7.894 1.00 0.00 H
99
+ ATOM 99 HH22 ARG A 30 -18.826 -2.563 7.228 1.00 0.00 H
100
+ ATOM 100 N VAL A 31 -22.942 -4.478 14.306 1.00 0.00 N
101
+ ATOM 101 H VAL A 31 -23.011 -3.479 14.587 1.00 0.00 H
102
+ ATOM 102 CA VAL A 31 -24.099 -5.103 13.675 1.00 0.00 C
103
+ ATOM 103 C VAL A 31 -24.464 -4.287 12.442 1.00 0.00 C
104
+ ATOM 104 O VAL A 31 -24.640 -3.066 12.531 1.00 0.00 O
105
+ ATOM 105 CB VAL A 31 -25.296 -5.200 14.639 1.00 0.00 C
106
+ ATOM 106 CG1 VAL A 31 -26.502 -5.796 13.927 1.00 0.00 C
107
+ ATOM 107 CG2 VAL A 31 -24.933 -6.024 15.867 1.00 0.00 C
108
+ ATOM 108 N VAL A 32 -24.566 -4.956 11.295 1.00 0.00 N
109
+ ATOM 109 H VAL A 32 -24.405 -5.983 11.299 1.00 0.00 H
110
+ ATOM 110 CA VAL A 32 -24.896 -4.302 10.031 1.00 0.00 C
111
+ ATOM 111 C VAL A 32 -25.926 -5.157 9.304 1.00 0.00 C
112
+ ATOM 112 O VAL A 32 -25.677 -6.337 9.037 1.00 0.00 O
113
+ ATOM 113 CB VAL A 32 -23.661 -4.085 9.139 1.00 0.00 C
114
+ ATOM 114 CG1 VAL A 32 -24.088 -3.722 7.723 1.00 0.00 C
115
+ ATOM 115 CG2 VAL A 32 -22.776 -2.997 9.719 1.00 0.00 C
116
+ ATOM 116 N LYS A 33 -27.074 -4.557 8.983 1.00 0.00 N
117
+ ATOM 117 H LYS A 33 -27.201 -3.560 9.249 1.00 0.00 H
118
+ ATOM 118 CA LYS A 33 -28.163 -5.234 8.275 1.00 0.00 C
119
+ ATOM 119 C LYS A 33 -28.554 -6.540 8.961 1.00 0.00 C
120
+ ATOM 120 O LYS A 33 -28.838 -7.548 8.312 1.00 0.00 O
121
+ ATOM 121 CB LYS A 33 -27.804 -5.474 6.806 1.00 0.00 C
122
+ ATOM 122 CG LYS A 33 -27.751 -4.207 5.961 1.00 0.00 C
123
+ ATOM 123 CD LYS A 33 -27.614 -4.541 4.484 1.00 0.00 C
124
+ ATOM 124 CE LYS A 33 -27.264 -3.311 3.659 1.00 0.00 C
125
+ ATOM 125 NZ LYS A 33 -26.962 -3.663 2.241 1.00 0.00 N
126
+ ATOM 126 HZ1 LYS A 33 -26.155 -4.318 2.213 1.00 0.00 H
127
+ ATOM 127 HZ2 LYS A 33 -27.794 -4.119 1.814 1.00 0.00 H
128
+ ATOM 128 HZ3 LYS A 33 -26.729 -2.799 1.713 1.00 0.00 H
129
+ ATOM 129 N GLY A 34 -28.565 -6.521 10.291 1.00 0.00 N
130
+ ATOM 130 H GLY A 34 -28.225 -5.674 10.790 1.00 0.00 H
131
+ ATOM 131 CA GLY A 34 -29.042 -7.652 11.061 1.00 0.00 C
132
+ ATOM 132 C GLY A 34 -28.041 -8.757 11.301 1.00 0.00 C
133
+ ATOM 133 O GLY A 34 -28.418 -9.800 11.845 1.00 0.00 O
134
+ ATOM 134 N LYS A 35 -26.781 -8.568 10.925 1.00 0.00 N
135
+ ATOM 135 H LYS A 35 -26.521 -7.665 10.481 1.00 0.00 H
136
+ ATOM 136 CA LYS A 35 -25.752 -9.579 11.113 1.00 0.00 C
137
+ ATOM 137 C LYS A 35 -24.651 -9.038 12.013 1.00 0.00 C
138
+ ATOM 138 O LYS A 35 -24.228 -7.887 11.867 1.00 0.00 O
139
+ ATOM 139 CB LYS A 35 -25.163 -10.020 9.770 1.00 0.00 C
140
+ ATOM 140 CG LYS A 35 -26.093 -10.893 8.946 1.00 0.00 C
141
+ ATOM 141 CD LYS A 35 -25.664 -10.918 7.492 1.00 0.00 C
142
+ ATOM 142 CE LYS A 35 -26.402 -11.996 6.720 1.00 0.00 C
143
+ ATOM 143 NZ LYS A 35 -26.002 -13.355 7.175 1.00 0.00 N
144
+ ATOM 144 HZ1 LYS A 35 -24.980 -13.481 7.028 1.00 0.00 H
145
+ ATOM 145 HZ2 LYS A 35 -26.224 -13.459 8.185 1.00 0.00 H
146
+ ATOM 146 HZ3 LYS A 35 -26.524 -14.070 6.628 1.00 0.00 H
147
+ ATOM 147 N VAL A 36 -24.198 -9.870 12.949 1.00 0.00 N
148
+ ATOM 148 H VAL A 36 -24.641 -10.803 13.065 1.00 0.00 H
149
+ ATOM 149 CA VAL A 36 -23.089 -9.488 13.814 1.00 0.00 C
150
+ ATOM 150 C VAL A 36 -21.789 -9.593 13.031 1.00 0.00 C
151
+ ATOM 151 O VAL A 36 -21.509 -10.617 12.394 1.00 0.00 O
152
+ ATOM 152 CB VAL A 36 -23.052 -10.371 15.069 1.00 0.00 C
153
+ ATOM 153 CG1 VAL A 36 -21.865 -9.999 15.939 1.00 0.00 C
154
+ ATOM 154 CG2 VAL A 36 -24.348 -10.235 15.849 1.00 0.00 C
155
+ ATOM 155 N GLU A 37 -20.988 -8.533 13.072 1.00 0.00 N
156
+ ATOM 156 H GLU A 37 -21.274 -7.708 13.637 1.00 0.00 H
157
+ ATOM 157 CA GLU A 37 -19.725 -8.491 12.353 1.00 0.00 C
158
+ ATOM 158 C GLU A 37 -18.577 -8.228 13.316 1.00 0.00 C
159
+ ATOM 159 O GLU A 37 -18.739 -7.552 14.334 1.00 0.00 O
160
+ ATOM 160 CB GLU A 37 -19.743 -7.420 11.258 1.00 0.00 C
161
+ ATOM 161 CG GLU A 37 -20.552 -7.814 10.035 1.00 0.00 C
162
+ ATOM 162 CD GLU A 37 -20.447 -6.801 8.920 1.00 0.00 C
163
+ ATOM 163 OE1 GLU A 37 -19.760 -5.776 9.112 1.00 0.00 O
164
+ ATOM 164 OE2 GLU A 37 -21.048 -7.031 7.851 1.00 0.00 O
165
+ ATOM 165 N TYR A 38 -17.415 -8.783 12.980 1.00 0.00 N
166
+ ATOM 166 H TYR A 38 -17.378 -9.378 12.129 1.00 0.00 H
167
+ ATOM 167 CA TYR A 38 -16.194 -8.596 13.747 1.00 0.00 C
168
+ ATOM 168 C TYR A 38 -15.094 -8.064 12.839 1.00 0.00 C
169
+ ATOM 169 O TYR A 38 -14.963 -8.494 11.688 1.00 0.00 O
170
+ ATOM 170 CB TYR A 38 -15.739 -9.903 14.402 1.00 0.00 C
171
+ ATOM 171 CG TYR A 38 -16.607 -10.344 15.558 1.00 0.00 C
172
+ ATOM 172 CD1 TYR A 38 -16.350 -9.905 16.850 1.00 0.00 C
173
+ ATOM 173 CD2 TYR A 38 -17.681 -11.202 15.358 1.00 0.00 C
174
+ ATOM 174 CE1 TYR A 38 -17.139 -10.306 17.912 1.00 0.00 C
175
+ ATOM 175 CE2 TYR A 38 -18.477 -11.609 16.415 1.00 0.00 C
176
+ ATOM 176 CZ TYR A 38 -18.200 -11.157 17.691 1.00 0.00 C
177
+ ATOM 177 OH TYR A 38 -18.987 -11.554 18.749 1.00 0.00 O
178
+ ATOM 178 HH TYR A 38 -18.651 -11.140 19.583 1.00 0.00 H
179
+ ATOM 179 N LEU A 39 -14.308 -7.128 13.358 1.00 0.00 N
180
+ ATOM 180 H LEU A 39 -14.501 -6.785 14.321 1.00 0.00 H
181
+ ATOM 181 CA LEU A 39 -13.185 -6.567 12.621 1.00 0.00 C
182
+ ATOM 182 C LEU A 39 -11.978 -7.478 12.808 1.00 0.00 C
183
+ ATOM 183 O LEU A 39 -11.498 -7.659 13.933 1.00 0.00 O
184
+ ATOM 184 CB LEU A 39 -12.879 -5.150 13.098 1.00 0.00 C
185
+ ATOM 185 CG LEU A 39 -11.774 -4.415 12.345 1.00 0.00 C
186
+ ATOM 186 CD1 LEU A 39 -12.070 -4.412 10.856 1.00 0.00 C
187
+ ATOM 187 CD2 LEU A 39 -11.638 -2.997 12.865 1.00 0.00 C
188
+ ATOM 188 N LEU A 40 -11.490 -8.049 11.712 1.00 0.00 N
189
+ ATOM 189 H LEU A 40 -11.868 -7.760 10.787 1.00 0.00 H
190
+ ATOM 190 CA LEU A 40 -10.448 -9.065 11.756 1.00 0.00 C
191
+ ATOM 191 C LEU A 40 -9.127 -8.491 11.267 1.00 0.00 C
192
+ ATOM 192 O LEU A 40 -9.084 -7.798 10.244 1.00 0.00 O
193
+ ATOM 193 CB LEU A 40 -10.832 -10.276 10.903 1.00 0.00 C
194
+ ATOM 194 CG LEU A 40 -12.135 -10.987 11.266 1.00 0.00 C
195
+ ATOM 195 CD1 LEU A 40 -12.334 -12.202 10.379 1.00 0.00 C
196
+ ATOM 196 CD2 LEU A 40 -12.112 -11.386 12.724 1.00 0.00 C
197
+ ATOM 197 N LYS A 41 -8.055 -8.779 12.000 1.00 0.00 N
198
+ ATOM 198 H LYS A 41 -8.191 -9.176 12.952 1.00 0.00 H
199
+ ATOM 199 CA LYS A 41 -6.697 -8.560 11.519 1.00 0.00 C
200
+ ATOM 200 C LYS A 41 -6.166 -9.895 11.011 1.00 0.00 C
201
+ ATOM 201 O LYS A 41 -6.070 -10.860 11.777 1.00 0.00 O
202
+ ATOM 202 CB LYS A 41 -5.789 -7.997 12.612 1.00 0.00 C
203
+ ATOM 203 CG LYS A 41 -4.691 -7.091 12.070 1.00 0.00 C
204
+ ATOM 204 CD LYS A 41 -3.317 -7.439 12.612 1.00 0.00 C
205
+ ATOM 205 CE LYS A 41 -2.235 -6.650 11.877 1.00 0.00 C
206
+ ATOM 206 NZ LYS A 41 -0.859 -7.037 12.296 1.00 0.00 N
207
+ ATOM 207 HZ1 LYS A 41 -0.746 -6.863 13.314 1.00 0.00 H
208
+ ATOM 208 HZ2 LYS A 41 -0.709 -8.047 12.097 1.00 0.00 H
209
+ ATOM 209 HZ3 LYS A 41 -0.166 -6.472 11.766 1.00 0.00 H
210
+ ATOM 210 N TRP A 42 -5.842 -9.952 9.725 1.00 0.00 N
211
+ ATOM 211 H TRP A 42 -5.882 -9.083 9.155 1.00 0.00 H
212
+ ATOM 212 CA TRP A 42 -5.432 -11.194 9.090 1.00 0.00 C
213
+ ATOM 213 C TRP A 42 -3.946 -11.442 9.303 1.00 0.00 C
214
+ ATOM 214 O TRP A 42 -3.136 -10.513 9.253 1.00 0.00 O
215
+ ATOM 215 CB TRP A 42 -5.748 -11.156 7.594 1.00 0.00 C
216
+ ATOM 216 CG TRP A 42 -7.189 -10.903 7.315 1.00 0.00 C
217
+ ATOM 217 CD1 TRP A 42 -7.766 -9.710 6.990 1.00 0.00 C
218
+ ATOM 218 CD2 TRP A 42 -8.248 -11.866 7.353 1.00 0.00 C
219
+ ATOM 219 NE1 TRP A 42 -9.119 -9.873 6.814 1.00 0.00 N
220
+ ATOM 220 HE1 TRP A 42 -9.789 -9.121 6.557 1.00 0.00 H
221
+ ATOM 221 CE2 TRP A 42 -9.440 -11.186 7.032 1.00 0.00 C
222
+ ATOM 222 CE3 TRP A 42 -8.303 -13.238 7.623 1.00 0.00 C
223
+ ATOM 223 CZ2 TRP A 42 -10.672 -11.832 6.974 1.00 0.00 C
224
+ ATOM 224 CZ3 TRP A 42 -9.527 -13.877 7.565 1.00 0.00 C
225
+ ATOM 225 CH2 TRP A 42 -10.695 -13.174 7.243 1.00 0.00 C
226
+ ATOM 226 N LYS A 43 -3.595 -12.704 9.548 1.00 0.00 N
227
+ ATOM 227 H LYS A 43 -4.331 -13.430 9.667 1.00 0.00 H
228
+ ATOM 228 CA LYS A 43 -2.190 -13.075 9.651 1.00 0.00 C
229
+ ATOM 229 C LYS A 43 -1.491 -12.812 8.327 1.00 0.00 C
230
+ ATOM 230 O LYS A 43 -2.018 -13.132 7.258 1.00 0.00 O
231
+ ATOM 231 CB LYS A 43 -2.050 -14.546 10.041 1.00 0.00 C
232
+ ATOM 232 CG LYS A 43 -0.618 -14.969 10.330 1.00 0.00 C
233
+ ATOM 233 CD LYS A 43 -0.516 -16.459 10.617 1.00 0.00 C
234
+ ATOM 234 CE LYS A 43 0.900 -16.836 11.026 1.00 0.00 C
235
+ ATOM 235 NZ LYS A 43 1.059 -18.302 11.216 1.00 0.00 N
236
+ ATOM 236 HZ1 LYS A 43 0.410 -18.627 11.961 1.00 0.00 H
237
+ ATOM 237 HZ2 LYS A 43 0.838 -18.792 10.325 1.00 0.00 H
238
+ ATOM 238 HZ3 LYS A 43 2.039 -18.511 11.493 1.00 0.00 H
239
+ ATOM 239 N GLY A 44 -0.302 -12.216 8.395 1.00 0.00 N
240
+ ATOM 240 H GLY A 44 0.117 -12.032 9.330 1.00 0.00 H
241
+ ATOM 241 CA GLY A 44 0.423 -11.817 7.211 1.00 0.00 C
242
+ ATOM 242 C GLY A 44 -0.054 -10.529 6.579 1.00 0.00 C
243
+ ATOM 243 O GLY A 44 0.691 -9.926 5.795 1.00 0.00 O
244
+ ATOM 244 N GLY A 45 -1.276 -10.086 6.891 1.00 0.00 N
245
+ ATOM 245 H GLY A 45 -1.883 -10.664 7.506 1.00 0.00 H
246
+ ATOM 246 CA GLY A 45 -1.773 -8.824 6.393 1.00 0.00 C
247
+ ATOM 247 C GLY A 45 -1.421 -7.671 7.313 1.00 0.00 C
248
+ ATOM 248 O GLY A 45 -1.005 -7.861 8.453 1.00 0.00 O
249
+ ATOM 249 N SER A 46 -1.587 -6.458 6.792 1.00 0.00 N
250
+ ATOM 250 H SER A 46 -1.924 -6.378 5.811 1.00 0.00 H
251
+ ATOM 251 CA SER A 46 -1.315 -5.241 7.538 1.00 0.00 C
252
+ ATOM 252 C SER A 46 -2.621 -4.634 8.044 1.00 0.00 C
253
+ ATOM 253 O SER A 46 -3.711 -5.183 7.857 1.00 0.00 O
254
+ ATOM 254 CB SER A 46 -0.549 -4.240 6.671 1.00 0.00 C
255
+ ATOM 255 OG SER A 46 -1.359 -3.765 5.610 1.00 0.00 O
256
+ ATOM 256 HG SER A 46 -1.641 -4.527 5.044 1.00 0.00 H
257
+ ATOM 257 N ASP A 47 -2.503 -3.474 8.696 1.00 0.00 N
258
+ ATOM 258 H ASP A 47 -1.559 -3.069 8.861 1.00 0.00 H
259
+ ATOM 259 CA ASP A 47 -3.686 -2.769 9.178 1.00 0.00 C
260
+ ATOM 260 C ASP A 47 -4.578 -2.328 8.027 1.00 0.00 C
261
+ ATOM 261 O ASP A 47 -5.796 -2.214 8.194 1.00 0.00 O
262
+ ATOM 262 CB ASP A 47 -3.273 -1.564 10.024 1.00 0.00 C
263
+ ATOM 263 CG ASP A 47 -2.803 -1.957 11.411 1.00 0.00 C
264
+ ATOM 264 OD1 ASP A 47 -3.457 -2.818 12.037 1.00 0.00 O
265
+ ATOM 265 OD2 ASP A 47 -1.780 -1.411 11.877 1.00 0.00 O
266
+ ATOM 266 N GLU A 48 -3.990 -2.075 6.856 1.00 0.00 N
267
+ ATOM 267 H GLU A 48 -2.953 -2.111 6.791 1.00 0.00 H
268
+ ATOM 268 CA GLU A 48 -4.764 -1.749 5.667 1.00 0.00 C
269
+ ATOM 269 C GLU A 48 -5.574 -2.933 5.156 1.00 0.00 C
270
+ ATOM 270 O GLU A 48 -6.478 -2.738 4.337 1.00 0.00 O
271
+ ATOM 271 CB GLU A 48 -3.838 -1.248 4.555 1.00 0.00 C
272
+ ATOM 272 CG GLU A 48 -2.944 -0.080 4.948 1.00 0.00 C
273
+ ATOM 273 CD GLU A 48 -2.262 0.563 3.755 1.00 0.00 C
274
+ ATOM 274 OE1 GLU A 48 -2.742 0.369 2.618 1.00 0.00 O
275
+ ATOM 275 OE2 GLU A 48 -1.244 1.260 3.951 1.00 0.00 O
276
+ ATOM 276 N ASP A 49 -5.270 -4.145 5.614 1.00 0.00 N
277
+ ATOM 277 H ASP A 49 -4.526 -4.232 6.336 1.00 0.00 H
278
+ ATOM 278 CA ASP A 49 -5.933 -5.352 5.149 1.00 0.00 C
279
+ ATOM 279 C ASP A 49 -7.070 -5.797 6.059 1.00 0.00 C
280
+ ATOM 280 O ASP A 49 -7.726 -6.800 5.758 1.00 0.00 O
281
+ ATOM 281 CB ASP A 49 -4.913 -6.486 5.012 1.00 0.00 C
282
+ ATOM 282 CG ASP A 49 -3.778 -6.138 4.068 1.00 0.00 C
283
+ ATOM 283 OD1 ASP A 49 -4.059 -5.679 2.941 1.00 0.00 O
284
+ ATOM 284 OD2 ASP A 49 -2.605 -6.317 4.458 1.00 0.00 O
285
+ ATOM 285 N ASN A 50 -7.313 -5.087 7.160 1.00 0.00 N
286
+ ATOM 286 H ASN A 50 -6.717 -4.263 7.381 1.00 0.00 H
287
+ ATOM 287 CA ASN A 50 -8.401 -5.448 8.061 1.00 0.00 C
288
+ ATOM 288 C ASN A 50 -9.736 -5.383 7.335 1.00 0.00 C
289
+ ATOM 289 O ASN A 50 -9.967 -4.497 6.507 1.00 0.00 O
290
+ ATOM 290 CB ASN A 50 -8.421 -4.516 9.273 1.00 0.00 C
291
+ ATOM 291 CG ASN A 50 -7.146 -4.585 10.078 1.00 0.00 C
292
+ ATOM 292 OD1 ASN A 50 -6.380 -5.539 9.960 1.00 0.00 O
293
+ ATOM 293 ND2 ASN A 50 -6.911 -3.574 10.906 1.00 0.00 N
294
+ ATOM 294 HD21 ASN A 50 -6.049 -3.568 11.488 1.00 0.00 H
295
+ ATOM 295 HD22 ASN A 50 -7.588 -2.788 10.973 1.00 0.00 H
296
+ ATOM 296 N THR A 51 -10.618 -6.335 7.640 1.00 0.00 N
297
+ ATOM 297 H THR A 51 -10.361 -7.051 8.349 1.00 0.00 H
298
+ ATOM 298 CA THR A 51 -11.929 -6.404 7.012 1.00 0.00 C
299
+ ATOM 299 C THR A 51 -12.976 -6.790 8.045 1.00 0.00 C
300
+ ATOM 300 O THR A 51 -12.698 -7.539 8.984 1.00 0.00 O
301
+ ATOM 301 CB THR A 51 -11.969 -7.419 5.857 1.00 0.00 C
302
+ ATOM 302 OG1 THR A 51 -11.547 -8.704 6.328 1.00 0.00 O
303
+ ATOM 303 HG1 THR A 51 -12.152 -9.004 7.052 1.00 0.00 H
304
+ ATOM 304 CG2 THR A 51 -11.073 -6.983 4.709 1.00 0.00 C
305
+ ATOM 305 N TRP A 52 -14.183 -6.258 7.867 1.00 0.00 N
306
+ ATOM 306 H TRP A 52 -14.314 -5.537 7.130 1.00 0.00 H
307
+ ATOM 307 CA TRP A 52 -15.328 -6.659 8.676 1.00 0.00 C
308
+ ATOM 308 C TRP A 52 -15.933 -7.921 8.077 1.00 0.00 C
309
+ ATOM 309 O TRP A 52 -16.266 -7.951 6.887 1.00 0.00 O
310
+ ATOM 310 CB TRP A 52 -16.373 -5.545 8.732 1.00 0.00 C
311
+ ATOM 311 CG TRP A 52 -16.008 -4.386 9.610 1.00 0.00 C
312
+ ATOM 312 CD1 TRP A 52 -15.486 -3.191 9.212 1.00 0.00 C
313
+ ATOM 313 CD2 TRP A 52 -16.149 -4.310 11.032 1.00 0.00 C
314
+ ATOM 314 NE1 TRP A 52 -15.290 -2.375 10.299 1.00 0.00 N
315
+ ATOM 315 HE1 TRP A 52 -14.901 -1.411 10.270 1.00 0.00 H
316
+ ATOM 316 CE2 TRP A 52 -15.690 -3.038 11.429 1.00 0.00 C
317
+ ATOM 317 CE3 TRP A 52 -16.623 -5.191 12.008 1.00 0.00 C
318
+ ATOM 318 CZ2 TRP A 52 -15.687 -2.628 12.761 1.00 0.00 C
319
+ ATOM 319 CZ3 TRP A 52 -16.617 -4.783 13.329 1.00 0.00 C
320
+ ATOM 320 CH2 TRP A 52 -16.153 -3.513 13.693 1.00 0.00 C
321
+ ATOM 321 N GLU A 53 -16.070 -8.964 8.892 1.00 0.00 N
322
+ ATOM 322 H GLU A 53 -15.755 -8.883 9.880 1.00 0.00 H
323
+ ATOM 323 CA GLU A 53 -16.651 -10.209 8.429 1.00 0.00 C
324
+ ATOM 324 C GLU A 53 -17.800 -10.607 9.345 1.00 0.00 C
325
+ ATOM 325 O GLU A 53 -17.674 -10.530 10.573 1.00 0.00 O
326
+ ATOM 326 CB GLU A 53 -15.603 -11.334 8.392 1.00 0.00 C
327
+ ATOM 327 CG GLU A 53 -14.358 -11.018 7.559 1.00 0.00 C
328
+ ATOM 328 CD GLU A 53 -14.651 -10.959 6.074 1.00 0.00 C
329
+ ATOM 329 OE1 GLU A 53 -15.692 -11.502 5.653 1.00 0.00 O
330
+ ATOM 330 OE2 GLU A 53 -13.843 -10.369 5.327 1.00 0.00 O
331
+ ATOM 331 N PRO A 54 -18.929 -11.024 8.777 1.00 0.00 N
332
+ ATOM 332 CA PRO A 54 -20.030 -11.528 9.609 1.00 0.00 C
333
+ ATOM 333 C PRO A 54 -19.596 -12.743 10.415 1.00 0.00 C
334
+ ATOM 334 O PRO A 54 -18.673 -13.467 10.036 1.00 0.00 O
335
+ ATOM 335 CB PRO A 54 -21.116 -11.888 8.586 1.00 0.00 C
336
+ ATOM 336 CG PRO A 54 -20.405 -11.975 7.268 1.00 0.00 C
337
+ ATOM 337 CD PRO A 54 -19.278 -10.991 7.349 1.00 0.00 C
338
+ ATOM 338 N GLU A 55 -20.281 -12.961 11.542 1.00 0.00 N
339
+ ATOM 339 H GLU A 55 -21.124 -12.389 11.751 1.00 0.00 H
340
+ ATOM 340 CA GLU A 55 -19.856 -13.994 12.482 1.00 0.00 C
341
+ ATOM 341 C GLU A 55 -19.917 -15.388 11.870 1.00 0.00 C
342
+ ATOM 342 O GLU A 55 -19.186 -16.285 12.303 1.00 0.00 O
343
+ ATOM 343 CB GLU A 55 -20.708 -13.931 13.752 1.00 0.00 C
344
+ ATOM 344 CG GLU A 55 -22.191 -14.149 13.523 1.00 0.00 C
345
+ ATOM 345 CD GLU A 55 -22.992 -14.104 14.811 1.00 0.00 C
346
+ ATOM 346 OE1 GLU A 55 -22.381 -13.982 15.894 1.00 0.00 O
347
+ ATOM 347 OE2 GLU A 55 -24.236 -14.192 14.740 1.00 0.00 O
348
+ ATOM 348 N GLU A 56 -20.775 -15.591 10.867 1.00 0.00 N
349
+ ATOM 349 H GLU A 56 -21.387 -14.814 10.543 1.00 0.00 H
350
+ ATOM 350 CA GLU A 56 -20.859 -16.899 10.224 1.00 0.00 C
351
+ ATOM 351 C GLU A 56 -19.569 -17.238 9.486 1.00 0.00 C
352
+ ATOM 352 O GLU A 56 -19.251 -18.418 9.304 1.00 0.00 O
353
+ ATOM 353 CB GLU A 56 -22.053 -16.934 9.268 1.00 0.00 C
354
+ ATOM 354 CG GLU A 56 -21.821 -16.204 7.951 1.00 0.00 C
355
+ ATOM 355 CD GLU A 56 -23.062 -15.501 7.438 1.00 0.00 C
356
+ ATOM 356 OE1 GLU A 56 -23.897 -15.092 8.269 1.00 0.00 O
357
+ ATOM 357 OE2 GLU A 56 -23.201 -15.357 6.204 1.00 0.00 O
358
+ ATOM 358 N ASN A 57 -18.812 -16.220 9.065 1.00 0.00 N
359
+ ATOM 359 H ASN A 57 -19.135 -15.245 9.231 1.00 0.00 H
360
+ ATOM 360 CA ASN A 57 -17.546 -16.442 8.377 1.00 0.00 C
361
+ ATOM 361 C ASN A 57 -16.436 -16.874 9.324 1.00 0.00 C
362
+ ATOM 362 O ASN A 57 -15.397 -17.356 8.861 1.00 0.00 O
363
+ ATOM 363 CB ASN A 57 -17.110 -15.166 7.649 1.00 0.00 C
364
+ ATOM 364 CG ASN A 57 -17.823 -14.966 6.329 1.00 0.00 C
365
+ ATOM 365 OD1 ASN A 57 -18.822 -15.620 6.043 1.00 0.00 O
366
+ ATOM 366 ND2 ASN A 57 -17.311 -14.051 5.516 1.00 0.00 N
367
+ ATOM 367 HD21 ASN A 57 -17.758 -13.865 4.596 1.00 0.00 H
368
+ ATOM 368 HD22 ASN A 57 -16.462 -13.520 5.799 1.00 0.00 H
369
+ ATOM 369 N LEU A 58 -16.629 -16.716 10.629 1.00 0.00 N
370
+ ATOM 370 H LEU A 58 -17.587 -16.507 10.977 1.00 0.00 H
371
+ ATOM 371 CA LEU A 58 -15.537 -16.827 11.585 1.00 0.00 C
372
+ ATOM 372 C LEU A 58 -15.417 -18.242 12.132 1.00 0.00 C
373
+ ATOM 373 O LEU A 58 -16.407 -18.858 12.535 1.00 0.00 O
374
+ ATOM 374 CB LEU A 58 -15.731 -15.837 12.737 1.00 0.00 C
375
+ ATOM 375 CG LEU A 58 -15.183 -14.416 12.532 1.00 0.00 C
376
+ ATOM 376 CD1 LEU A 58 -15.706 -13.775 11.257 1.00 0.00 C
377
+ ATOM 377 CD2 LEU A 58 -15.500 -13.533 13.721 1.00 0.00 C
378
+ ATOM 378 N ASP A 59 -14.190 -18.753 12.127 1.00 0.00 N
379
+ ATOM 379 H ASP A 59 -13.441 -18.226 11.634 1.00 0.00 H
380
+ ATOM 380 CA ASP A 59 -13.835 -20.009 12.771 1.00 0.00 C
381
+ ATOM 381 C ASP A 59 -12.671 -19.781 13.723 1.00 0.00 C
382
+ ATOM 382 O ASP A 59 -11.698 -20.541 13.751 1.00 0.00 O
383
+ ATOM 383 CB ASP A 59 -13.502 -21.087 11.742 1.00 0.00 C
384
+ ATOM 384 CG ASP A 59 -13.429 -22.476 12.353 1.00 0.00 C
385
+ ATOM 385 OD1 ASP A 59 -13.803 -22.630 13.534 1.00 0.00 O
386
+ ATOM 386 OD2 ASP A 59 -12.990 -23.411 11.653 1.00 0.00 O
387
+ ATOM 387 N CYS A 60 -12.747 -18.705 14.502 1.00 0.00 N
388
+ ATOM 388 H CYS A 60 -13.577 -18.086 14.409 1.00 0.00 H
389
+ ATOM 389 CA CYS A 60 -11.723 -18.349 15.481 1.00 0.00 C
390
+ ATOM 390 C CYS A 60 -12.403 -18.023 16.804 1.00 0.00 C
391
+ ATOM 391 O CYS A 60 -12.419 -16.866 17.243 1.00 0.00 O
392
+ ATOM 392 CB CYS A 60 -10.878 -17.175 14.987 1.00 0.00 C
393
+ ATOM 393 SG CYS A 60 -11.841 -15.792 14.335 1.00 0.00 S
394
+ ATOM 394 N PRO A 61 -12.984 -19.027 17.467 1.00 0.00 N
395
+ ATOM 395 CA PRO A 61 -13.689 -18.748 18.728 1.00 0.00 C
396
+ ATOM 396 C PRO A 61 -12.775 -18.220 19.817 1.00 0.00 C
397
+ ATOM 397 O PRO A 61 -13.183 -17.355 20.603 1.00 0.00 O
398
+ ATOM 398 CB PRO A 61 -14.287 -20.113 19.096 1.00 0.00 C
399
+ ATOM 399 CG PRO A 61 -13.395 -21.107 18.424 1.00 0.00 C
400
+ ATOM 400 CD PRO A 61 -12.983 -20.463 17.134 1.00 0.00 C
401
+ ATOM 401 N ASP A 62 -11.542 -18.724 19.884 1.00 0.00 N
402
+ ATOM 402 H ASP A 62 -11.249 -19.457 19.207 1.00 0.00 H
403
+ ATOM 403 CA ASP A 62 -10.600 -18.257 20.895 1.00 0.00 C
404
+ ATOM 404 C ASP A 62 -10.319 -16.768 20.744 1.00 0.00 C
405
+ ATOM 405 O ASP A 62 -10.226 -16.042 21.740 1.00 0.00 O
406
+ ATOM 406 CB ASP A 62 -9.307 -19.065 20.808 1.00 0.00 C
407
+ ATOM 407 CG ASP A 62 -9.528 -20.545 21.052 1.00 0.00 C
408
+ ATOM 408 OD1 ASP A 62 -9.685 -20.940 22.226 1.00 0.00 O
409
+ ATOM 409 OD2 ASP A 62 -9.565 -21.310 20.065 1.00 0.00 O
410
+ ATOM 410 N LEU A 63 -10.188 -16.291 19.503 1.00 0.00 N
411
+ ATOM 411 H LEU A 63 -10.276 -16.935 18.691 1.00 0.00 H
412
+ ATOM 412 CA LEU A 63 -9.922 -14.875 19.278 1.00 0.00 C
413
+ ATOM 413 C LEU A 63 -11.160 -14.023 19.532 1.00 0.00 C
414
+ ATOM 414 O LEU A 63 -11.046 -12.888 20.009 1.00 0.00 O
415
+ ATOM 415 CB LEU A 63 -9.401 -14.653 17.856 1.00 0.00 C
416
+ ATOM 416 CG LEU A 63 -8.006 -15.196 17.538 1.00 0.00 C
417
+ ATOM 417 CD1 LEU A 63 -7.567 -14.753 16.150 1.00 0.00 C
418
+ ATOM 418 CD2 LEU A 63 -7.004 -14.745 18.590 1.00 0.00 C
419
+ ATOM 419 N ILE A 64 -12.347 -14.547 19.216 1.00 0.00 N
420
+ ATOM 420 H ILE A 64 -12.392 -15.483 18.765 1.00 0.00 H
421
+ ATOM 421 CA ILE A 64 -13.583 -13.820 19.498 1.00 0.00 C
422
+ ATOM 422 C ILE A 64 -13.743 -13.611 20.997 1.00 0.00 C
423
+ ATOM 423 O ILE A 64 -14.012 -12.499 21.465 1.00 0.00 O
424
+ ATOM 424 CB ILE A 64 -14.796 -14.567 18.915 1.00 0.00 C
425
+ ATOM 425 CG1 ILE A 64 -14.822 -14.472 17.391 1.00 0.00 C
426
+ ATOM 426 CG2 ILE A 64 -16.086 -14.009 19.496 1.00 0.00 C
427
+ ATOM 427 CD1 ILE A 64 -16.025 -15.157 16.779 1.00 0.00 C
428
+ ATOM 428 N ALA A 65 -13.591 -14.689 21.770 1.00 0.00 N
429
+ ATOM 429 H ALA A 65 -13.334 -15.600 21.338 1.00 0.00 H
430
+ ATOM 430 CA ALA A 65 -13.780 -14.606 23.214 1.00 0.00 C
431
+ ATOM 431 C ALA A 65 -12.753 -13.684 23.856 1.00 0.00 C
432
+ ATOM 432 O ALA A 65 -13.082 -12.918 24.770 1.00 0.00 O
433
+ ATOM 433 CB ALA A 65 -13.708 -16.000 23.834 1.00 0.00 C
434
+ ATOM 434 N GLU A 66 -11.501 -13.745 23.392 1.00 0.00 N
435
+ ATOM 435 H GLU A 66 -11.259 -14.433 22.650 1.00 0.00 H
436
+ ATOM 436 CA GLU A 66 -10.470 -12.856 23.918 1.00 0.00 C
437
+ ATOM 437 C GLU A 66 -10.856 -11.397 23.728 1.00 0.00 C
438
+ ATOM 438 O GLU A 66 -10.680 -10.578 24.637 1.00 0.00 O
439
+ ATOM 439 CB GLU A 66 -9.130 -13.141 23.240 1.00 0.00 C
440
+ ATOM 440 CG GLU A 66 -8.433 -14.401 23.722 1.00 0.00 C
441
+ ATOM 441 CD GLU A 66 -7.188 -14.714 22.915 1.00 0.00 C
442
+ ATOM 442 OE1 GLU A 66 -6.745 -15.882 22.928 1.00 0.00 O
443
+ ATOM 443 OE2 GLU A 66 -6.657 -13.791 22.261 1.00 0.00 O
444
+ ATOM 444 N PHE A 67 -11.388 -11.054 22.554 1.00 0.00 N
445
+ ATOM 445 H PHE A 67 -11.512 -11.773 21.813 1.00 0.00 H
446
+ ATOM 446 CA PHE A 67 -11.794 -9.676 22.305 1.00 0.00 C
447
+ ATOM 447 C PHE A 67 -12.942 -9.264 23.218 1.00 0.00 C
448
+ ATOM 448 O PHE A 67 -12.898 -8.201 23.848 1.00 0.00 O
449
+ ATOM 449 CB PHE A 67 -12.200 -9.496 20.845 1.00 0.00 C
450
+ ATOM 450 CG PHE A 67 -12.992 -8.249 20.602 1.00 0.00 C
451
+ ATOM 451 CD1 PHE A 67 -12.372 -7.011 20.605 1.00 0.00 C
452
+ ATOM 452 CD2 PHE A 67 -14.360 -8.309 20.396 1.00 0.00 C
453
+ ATOM 453 CE1 PHE A 67 -13.098 -5.857 20.395 1.00 0.00 C
454
+ ATOM 454 CE2 PHE A 67 -15.092 -7.158 20.183 1.00 0.00 C
455
+ ATOM 455 CZ PHE A 67 -14.461 -5.931 20.185 1.00 0.00 C
456
+ ATOM 456 N LEU A 68 -13.990 -10.088 23.282 1.00 0.00 N
457
+ ATOM 457 H LEU A 68 -13.971 -10.986 22.758 1.00 0.00 H
458
+ ATOM 458 CA LEU A 68 -15.162 -9.742 24.078 1.00 0.00 C
459
+ ATOM 459 C LEU A 68 -14.804 -9.627 25.554 1.00 0.00 C
460
+ ATOM 460 O LEU A 68 -15.230 -8.691 26.239 1.00 0.00 O
461
+ ATOM 461 CB LEU A 68 -16.263 -10.780 23.864 1.00 0.00 C
462
+ ATOM 462 CG LEU A 68 -16.881 -10.772 22.464 1.00 0.00 C
463
+ ATOM 463 CD1 LEU A 68 -17.818 -11.947 22.280 1.00 0.00 C
464
+ ATOM 464 CD2 LEU A 68 -17.615 -9.465 22.221 1.00 0.00 C
465
+ ATOM 465 N GLN A 69 -14.016 -10.576 26.062 1.00 0.00 N
466
+ ATOM 466 H GLN A 69 -13.768 -11.406 25.487 1.00 0.00 H
467
+ ATOM 467 CA GLN A 69 -13.500 -10.454 27.420 1.00 0.00 C
468
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470
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478
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484
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493
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497
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498
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499
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500
+ ATOM 500 C LYS A 72 -13.500 -6.121 30.950 1.00 0.00 C
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+ ATOM 502 CB LYS A 72 -15.921 -5.731 30.623 1.00 0.00 C
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+ ATOM 503 CG LYS A 72 -17.073 -4.770 30.836 1.00 0.00 C
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+ ATOM 504 CD LYS A 72 -18.008 -5.778 31.533 1.00 0.00 C
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+ ATOM 505 CE LYS A 72 -19.227 -4.964 31.862 1.00 0.00 C
506
+ ATOM 506 NZ LYS A 72 -19.175 -4.466 33.261 1.00 0.00 N
507
+ ATOM 507 OXT LYS A 72 -14.498 -6.580 31.638 1.00 0.00 O
508
+ TER 508 LYS A 72
509
+ END
6d3x/6d3x_af2_apo_protein.pdb ADDED
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+ M END
238
+ $$$$
6d3x/6d3x_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d3y/6d3y_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d3y/6d3y_af2_holo_ligand.sdf ADDED
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+ M END
231
+ $$$$
6d3y/6d3y_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d3z/6d3z_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d3z/6d3z_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,242 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ $$$$
6d3z/6d3z_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d40/6d40_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6d40/6d40_af2_holo_ligand.sdf ADDED
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+ $$$$
6d40/6d40_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6dql/6dql_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6dql/6dql_af2_holo_ligand.sdf ADDED
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74
+ -8.3647 -6.7890 10.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
75
+ -9.5415 -7.8504 8.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
76
+ -5.4810 -5.4447 7.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
77
+ -6.1283 -5.3480 6.0512 O 0 0 0 0 0 0 0 0 0 0 0 0
78
+ -4.5148 -4.6771 7.2293 O 0 0 0 0 0 1 0 0 0 0 0 0
79
+ 5 6 1 1
80
+ 5 7 1 0
81
+ 5 4 1 0
82
+ 7 8 2 0
83
+ 7 9 1 0
84
+ 4 3 1 0
85
+ 3 2 1 0
86
+ 2 1 1 0
87
+ 9 10 1 0
88
+ 10 21 1 0
89
+ 10 11 1 6
90
+ 21 22 2 0
91
+ 21 23 1 0
92
+ 11 12 1 0
93
+ 12 13 2 0
94
+ 12 20 1 0
95
+ 13 14 1 0
96
+ 20 15 2 0
97
+ 20 19 1 0
98
+ 14 15 1 0
99
+ 15 16 1 0
100
+ 19 18 2 0
101
+ 16 17 2 0
102
+ 18 17 1 0
103
+ 23 24 1 0
104
+ 24 29 1 0
105
+ 24 25 1 1
106
+ 29 30 2 0
107
+ 29 31 1 0
108
+ 25 26 1 0
109
+ 26 27 1 0
110
+ 26 28 1 0
111
+ 31 32 1 0
112
+ 32 37 1 0
113
+ 32 33 1 6
114
+ 37 38 2 0
115
+ 37 39 1 0
116
+ 33 34 1 0
117
+ 34 35 1 0
118
+ 34 36 1 0
119
+ 39 40 1 0
120
+ 40 45 1 0
121
+ 40 41 1 1
122
+ 45 46 2 0
123
+ 45 47 1 0
124
+ 41 42 1 0
125
+ 42 43 1 0
126
+ 42 44 1 0
127
+ 47 48 1 0
128
+ 48 53 1 0
129
+ 48 49 1 1
130
+ 53 54 2 0
131
+ 53 55 1 0
132
+ 49 50 1 0
133
+ 50 51 1 0
134
+ 50 52 1 0
135
+ 55 56 1 0
136
+ 56 64 1 0
137
+ 56 57 1 6
138
+ 64 65 2 0
139
+ 64 66 1 0
140
+ 57 58 1 0
141
+ 58 59 2 0
142
+ 58 63 1 0
143
+ 59 60 1 0
144
+ 63 62 2 0
145
+ 60 61 2 0
146
+ 62 61 1 0
147
+ 66 67 1 0
148
+ 67 72 1 0
149
+ 67 68 1 1
150
+ 72 74 1 0
151
+ 72 73 2 0
152
+ 68 69 1 0
153
+ 69 70 1 0
154
+ 69 71 1 0
155
+ M CHG 2 6 1 74 -1
156
+ M END
157
+ $$$$
6dql/6dql_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6dyz/6dyz_af2_apo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6dyz/6dyz_af2_holo_ligand.sdf ADDED
@@ -0,0 +1,53 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+
2
+ RDKit 3D
3
+
4
+ 22 24 0 0 0 0 0 0 0 0999 V2000
5
+ 12.4891 10.7955 3.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
6
+ 11.6727 10.8958 2.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
7
+ 10.7901 10.9944 0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0
8
+ 11.4858 10.5369 -0.6100 S 0 0 0 0 0 0 0 0 0 0 0 0
9
+ 11.9611 8.8360 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
10
+ 10.7665 7.9010 -0.1317 C 0 0 1 0 0 0 0 0 0 0 0 0
11
+ 9.8347 7.8797 -1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
12
+ 9.6613 6.4459 -1.6479 N 0 0 1 0 0 4 0 0 0 0 0 0
13
+ 9.1777 6.1500 -2.9908 C 0 0 0 0 0 0 0 0 0 0 0 0
14
+ 9.9829 6.5441 -4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
15
+ 9.7746 7.6082 -5.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
16
+ 10.6303 7.6302 -6.0522 N 0 0 0 0 0 0 0 0 0 0 0 0
17
+ 11.4186 6.5288 -5.9981 C 0 0 0 0 0 0 0 0 0 0 0 0
18
+ 12.4552 5.9322 -6.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
19
+ 12.8682 6.5425 -7.9123 N 0 0 0 0 0 0 0 0 0 0 0 0
20
+ 12.9853 4.7813 -6.3349 N 0 0 0 0 0 0 0 0 0 0 0 0
21
+ 12.5612 4.1575 -5.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
22
+ 11.6059 4.6132 -4.4357 N 0 0 0 0 0 0 0 0 0 0 0 0
23
+ 11.0422 5.7662 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
24
+ 10.9530 5.8145 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
25
+ 11.2013 6.4464 0.0488 C 0 0 2 0 0 0 0 0 0 0 0 0
26
+ 10.4132 5.7497 1.0167 O 0 0 0 0 0 0 0 0 0 0 0 0
27
+ 21 22 1 1
28
+ 21 20 1 0
29
+ 21 6 1 0
30
+ 20 8 1 0
31
+ 8 7 1 0
32
+ 8 9 1 6
33
+ 7 6 1 0
34
+ 6 5 1 6
35
+ 5 4 1 0
36
+ 4 3 1 0
37
+ 3 2 1 0
38
+ 2 1 3 0
39
+ 9 10 1 0
40
+ 10 19 1 0
41
+ 10 11 2 0
42
+ 19 18 2 0
43
+ 19 13 1 0
44
+ 18 17 1 0
45
+ 11 12 1 0
46
+ 12 13 1 0
47
+ 13 14 2 0
48
+ 14 15 1 0
49
+ 14 16 1 0
50
+ 16 17 2 0
51
+ M CHG 1 8 1
52
+ M END
53
+ $$$$
6dyz/6dyz_af2_holo_protein.pdb ADDED
The diff for this file is too large to render. See raw diff