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THU-ATOM
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PDBbind

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linbc20 commited on
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1 Parent(s): 1892b86

Add batch 114

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  1. 1hih/1hih_ligand.mol2 +203 -0
  2. 1hih/1hih_ligand.sdf +193 -0
  3. 1hih/1hih_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1hih/1hih_protein_processed_fix.pdb +0 -0
  5. 1kwr/1kwr_ligand.mol2 +63 -0
  6. 1kwr/1kwr_ligand.sdf +53 -0
  7. 1kwr/1kwr_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1kwr/1kwr_protein_processed_fix.pdb +0 -0
  9. 1kz8/1kz8_ligand.mol2 +123 -0
  10. 1kz8/1kz8_ligand.sdf +113 -0
  11. 1kz8/1kz8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1kz8/1kz8_protein_processed_fix.pdb +0 -0
  13. 1nlt/1nlt_ligand.mol2 +256 -0
  14. 1nlt/1nlt_ligand.sdf +246 -0
  15. 1nlt/1nlt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1nlt/1nlt_protein_processed_fix.pdb +0 -0
  17. 1odj/1odj_ligand.mol2 +84 -0
  18. 1odj/1odj_ligand.sdf +74 -0
  19. 1odj/1odj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1odj/1odj_protein_processed_fix.pdb +0 -0
  21. 1ofz/1ofz_ligand.mol2 +62 -0
  22. 1ofz/1ofz_ligand.sdf +52 -0
  23. 1ofz/1ofz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1ofz/1ofz_protein_processed_fix.pdb +0 -0
  25. 1ozv/1ozv_ligand.mol2 +65 -0
  26. 1ozv/1ozv_ligand.sdf +57 -0
  27. 1ozv/1ozv_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1ozv/1ozv_protein_processed_fix.pdb +0 -0
  29. 1rv1/1rv1_ligand.mol2 +172 -0
  30. 1rv1/1rv1_ligand.sdf +162 -0
  31. 1rv1/1rv1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1rv1/1rv1_protein_processed_fix.pdb +0 -0
  33. 1vik/1vik_ligand.mol2 +345 -0
  34. 1vik/1vik_ligand.sdf +335 -0
  35. 1vik/1vik_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1vik/1vik_protein_processed_fix.pdb +0 -0
  37. 1xs7/1xs7_ligand.mol2 +245 -0
  38. 1xs7/1xs7_ligand.sdf +235 -0
  39. 1xs7/1xs7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1xs7/1xs7_protein_processed_fix.pdb +0 -0
  41. 2e7f/2e7f_ligand.mol2 +130 -0
  42. 2e7f/2e7f_ligand.sdf +124 -0
  43. 2e7f/2e7f_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2e7f/2e7f_protein_processed_fix.pdb +0 -0
  45. 2lko/2lko_ligand.mol2 +88 -0
  46. 2lko/2lko_ligand.sdf +94 -0
  47. 2lko/2lko_protein_esmfold_aligned_tr_fix.pdb +1101 -0
  48. 2lko/2lko_protein_processed_fix.pdb +0 -0
  49. 2ltv/2ltv_ligand.mol2 +402 -0
  50. 2ltv/2ltv_ligand.sdf +394 -0
1hih/1hih_ligand.mol2 ADDED
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1kz8/1kz8_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1kz8/1kz8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1nlt_ligand
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+ $$$$
1nlt/1nlt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1nlt/1nlt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1odj/1odj_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
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+ ###
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5
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1odj/1odj_ligand.sdf ADDED
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+ $$$$
1odj/1odj_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1odj/1odj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ofz/1ofz_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Sun Sep 9 21:50:03 2018
3
+ ###
4
+
5
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1ofz/1ofz_ligand.sdf ADDED
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1
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4
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+ $$$$
1ofz/1ofz_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ofz/1ofz_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ozv/1ozv_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
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1ozv/1ozv_protein_processed_fix.pdb ADDED
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1rv1/1rv1_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rv1/1rv1_protein_processed_fix.pdb ADDED
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335
+ $$$$
1vik/1vik_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1vik/1vik_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xs7/1xs7_ligand.mol2 ADDED
@@ -0,0 +1,245 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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+
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1xs7/1xs7_protein_processed_fix.pdb ADDED
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2e7f/2e7f_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
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2e7f/2e7f_ligand.sdf ADDED
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+ $$$$
2e7f/2e7f_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2e7f/2e7f_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2lko/2lko_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:13:08 2018
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+ ###
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2lko/2lko_ligand.sdf ADDED
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+ $$$$
2lko/2lko_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1101 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N GLY A 1 4.011 -34.193 18.413 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 5.071 -33.198 18.449 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 5.330 -32.553 17.101 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 5.794 -33.213 16.169 1.00 0.00 O
6
+ ATOM 5 N SER A 2 4.325 -32.228 16.384 1.00 0.00 N
7
+ ATOM 6 CA SER A 2 4.463 -31.653 15.049 1.00 0.00 C
8
+ ATOM 7 C SER A 2 4.650 -30.142 15.115 1.00 0.00 C
9
+ ATOM 8 CB SER A 2 3.241 -31.988 14.193 1.00 0.00 C
10
+ ATOM 9 O SER A 2 3.940 -29.454 15.851 1.00 0.00 O
11
+ ATOM 10 OG SER A 2 2.214 -31.030 14.386 1.00 0.00 O
12
+ ATOM 11 N HIS A 3 5.945 -29.671 15.453 1.00 0.00 N
13
+ ATOM 12 CA HIS A 3 6.559 -28.361 15.264 1.00 0.00 C
14
+ ATOM 13 C HIS A 3 5.553 -27.355 14.716 1.00 0.00 C
15
+ ATOM 14 CB HIS A 3 7.763 -28.463 14.326 1.00 0.00 C
16
+ ATOM 15 O HIS A 3 5.022 -27.536 13.619 1.00 0.00 O
17
+ ATOM 16 CG HIS A 3 9.040 -28.812 15.023 1.00 0.00 C
18
+ ATOM 17 CD2 HIS A 3 9.774 -29.950 15.017 1.00 0.00 C
19
+ ATOM 18 ND1 HIS A 3 9.700 -27.931 15.851 1.00 0.00 N
20
+ ATOM 19 CE1 HIS A 3 10.789 -28.513 16.324 1.00 0.00 C
21
+ ATOM 20 NE2 HIS A 3 10.858 -29.739 15.833 1.00 0.00 N
22
+ ATOM 21 N MET A 4 4.453 -26.944 15.305 1.00 0.00 N
23
+ ATOM 22 CA MET A 4 4.060 -25.634 14.793 1.00 0.00 C
24
+ ATOM 23 C MET A 4 5.228 -24.952 14.088 1.00 0.00 C
25
+ ATOM 24 CB MET A 4 3.542 -24.747 15.926 1.00 0.00 C
26
+ ATOM 25 O MET A 4 6.236 -24.630 14.719 1.00 0.00 O
27
+ ATOM 26 CG MET A 4 2.099 -25.025 16.313 1.00 0.00 C
28
+ ATOM 27 SD MET A 4 1.093 -23.495 16.425 1.00 0.00 S
29
+ ATOM 28 CE MET A 4 -0.327 -24.114 17.369 1.00 0.00 C
30
+ ATOM 29 N GLY A 5 6.151 -25.774 13.277 1.00 0.00 N
31
+ ATOM 30 CA GLY A 5 7.136 -25.419 12.267 1.00 0.00 C
32
+ ATOM 31 C GLY A 5 7.113 -23.945 11.904 1.00 0.00 C
33
+ ATOM 32 O GLY A 5 6.050 -23.321 11.890 1.00 0.00 O
34
+ ATOM 33 N ASP A 6 7.500 -22.964 12.797 1.00 0.00 N
35
+ ATOM 34 CA ASP A 6 7.884 -21.633 12.338 1.00 0.00 C
36
+ ATOM 35 C ASP A 6 6.861 -21.075 11.351 1.00 0.00 C
37
+ ATOM 36 CB ASP A 6 9.271 -21.667 11.693 1.00 0.00 C
38
+ ATOM 37 O ASP A 6 6.803 -21.507 10.199 1.00 0.00 O
39
+ ATOM 38 CG ASP A 6 10.326 -20.949 12.516 1.00 0.00 C
40
+ ATOM 39 OD1 ASP A 6 9.966 -20.200 13.450 1.00 0.00 O
41
+ ATOM 40 OD2 ASP A 6 11.529 -21.133 12.227 1.00 0.00 O
42
+ ATOM 41 N ILE A 7 5.645 -21.127 11.570 1.00 0.00 N
43
+ ATOM 42 CA ILE A 7 4.894 -20.215 10.714 1.00 0.00 C
44
+ ATOM 43 C ILE A 7 5.635 -18.885 10.601 1.00 0.00 C
45
+ ATOM 44 CB ILE A 7 3.463 -19.986 11.251 1.00 0.00 C
46
+ ATOM 45 O ILE A 7 5.800 -18.172 11.593 1.00 0.00 O
47
+ ATOM 46 CG1 ILE A 7 2.703 -21.316 11.330 1.00 0.00 C
48
+ ATOM 47 CG2 ILE A 7 2.712 -18.978 10.376 1.00 0.00 C
49
+ ATOM 48 CD1 ILE A 7 1.381 -21.229 12.078 1.00 0.00 C
50
+ ATOM 49 N THR A 8 7.023 -18.812 10.239 1.00 0.00 N
51
+ ATOM 50 CA THR A 8 7.486 -17.494 9.822 1.00 0.00 C
52
+ ATOM 51 C THR A 8 6.323 -16.649 9.310 1.00 0.00 C
53
+ ATOM 52 CB THR A 8 8.567 -17.601 8.729 1.00 0.00 C
54
+ ATOM 53 O THR A 8 5.626 -17.044 8.373 1.00 0.00 O
55
+ ATOM 54 CG2 THR A 8 9.864 -18.170 9.293 1.00 0.00 C
56
+ ATOM 55 OG1 THR A 8 8.096 -18.460 7.683 1.00 0.00 O
57
+ ATOM 56 N SER A 9 5.339 -16.393 10.202 1.00 0.00 N
58
+ ATOM 57 CA SER A 9 4.352 -15.375 9.859 1.00 0.00 C
59
+ ATOM 58 C SER A 9 4.878 -14.437 8.777 1.00 0.00 C
60
+ ATOM 59 CB SER A 9 3.960 -14.570 11.098 1.00 0.00 C
61
+ ATOM 60 O SER A 9 6.057 -14.077 8.781 1.00 0.00 O
62
+ ATOM 61 OG SER A 9 5.071 -13.852 11.604 1.00 0.00 O
63
+ ATOM 62 N ILE A 10 4.577 -14.651 7.470 1.00 0.00 N
64
+ ATOM 63 CA ILE A 10 4.762 -13.661 6.414 1.00 0.00 C
65
+ ATOM 64 C ILE A 10 4.725 -12.257 7.011 1.00 0.00 C
66
+ ATOM 65 CB ILE A 10 3.689 -13.804 5.312 1.00 0.00 C
67
+ ATOM 66 O ILE A 10 3.829 -11.932 7.794 1.00 0.00 O
68
+ ATOM 67 CG1 ILE A 10 3.727 -15.213 4.708 1.00 0.00 C
69
+ ATOM 68 CG2 ILE A 10 3.882 -12.739 4.229 1.00 0.00 C
70
+ ATOM 69 CD1 ILE A 10 2.570 -15.513 3.765 1.00 0.00 C
71
+ ATOM 70 N PRO A 11 5.988 -11.687 6.945 1.00 0.00 N
72
+ ATOM 71 CA PRO A 11 5.861 -10.319 7.453 1.00 0.00 C
73
+ ATOM 72 C PRO A 11 4.600 -9.619 6.953 1.00 0.00 C
74
+ ATOM 73 CB PRO A 11 7.118 -9.627 6.917 1.00 0.00 C
75
+ ATOM 74 O PRO A 11 4.173 -9.843 5.817 1.00 0.00 O
76
+ ATOM 75 CG PRO A 11 8.027 -10.743 6.516 1.00 0.00 C
77
+ ATOM 76 CD PRO A 11 7.191 -11.956 6.219 1.00 0.00 C
78
+ ATOM 77 N GLU A 12 3.825 -9.113 7.901 1.00 0.00 N
79
+ ATOM 78 CA GLU A 12 2.621 -8.332 7.631 1.00 0.00 C
80
+ ATOM 79 C GLU A 12 2.823 -6.863 7.994 1.00 0.00 C
81
+ ATOM 80 CB GLU A 12 1.426 -8.904 8.397 1.00 0.00 C
82
+ ATOM 81 O GLU A 12 3.513 -6.548 8.965 1.00 0.00 O
83
+ ATOM 82 CG GLU A 12 0.110 -8.201 8.097 1.00 0.00 C
84
+ ATOM 83 CD GLU A 12 -1.067 -8.775 8.870 1.00 0.00 C
85
+ ATOM 84 OE1 GLU A 12 -0.923 -9.863 9.474 1.00 0.00 O
86
+ ATOM 85 OE2 GLU A 12 -2.141 -8.135 8.870 1.00 0.00 O
87
+ ATOM 86 N LEU A 13 2.443 -5.972 7.089 1.00 0.00 N
88
+ ATOM 87 CA LEU A 13 2.381 -4.555 7.432 1.00 0.00 C
89
+ ATOM 88 C LEU A 13 0.995 -4.181 7.946 1.00 0.00 C
90
+ ATOM 89 CB LEU A 13 2.738 -3.693 6.219 1.00 0.00 C
91
+ ATOM 90 O LEU A 13 -0.009 -4.749 7.508 1.00 0.00 O
92
+ ATOM 91 CG LEU A 13 4.115 -3.934 5.597 1.00 0.00 C
93
+ ATOM 92 CD1 LEU A 13 4.271 -3.116 4.320 1.00 0.00 C
94
+ ATOM 93 CD2 LEU A 13 5.218 -3.592 6.594 1.00 0.00 C
95
+ ATOM 94 N ALA A 14 0.966 -3.391 8.865 1.00 0.00 N
96
+ ATOM 95 CA ALA A 14 -0.281 -2.831 9.379 1.00 0.00 C
97
+ ATOM 96 C ALA A 14 -0.094 -1.379 9.811 1.00 0.00 C
98
+ ATOM 97 CB ALA A 14 -0.800 -3.667 10.545 1.00 0.00 C
99
+ ATOM 98 O ALA A 14 0.700 -1.090 10.710 1.00 0.00 O
100
+ ATOM 99 N ASP A 15 -0.711 -0.503 9.117 1.00 0.00 N
101
+ ATOM 100 CA ASP A 15 -0.578 0.934 9.338 1.00 0.00 C
102
+ ATOM 101 C ASP A 15 -1.889 1.659 9.044 1.00 0.00 C
103
+ ATOM 102 CB ASP A 15 0.546 1.508 8.473 1.00 0.00 C
104
+ ATOM 103 O ASP A 15 -2.736 1.148 8.308 1.00 0.00 O
105
+ ATOM 104 CG ASP A 15 1.918 0.985 8.860 1.00 0.00 C
106
+ ATOM 105 OD1 ASP A 15 2.353 1.209 10.011 1.00 0.00 O
107
+ ATOM 106 OD2 ASP A 15 2.571 0.346 8.007 1.00 0.00 O
108
+ ATOM 107 N TYR A 16 -2.045 2.882 9.667 1.00 0.00 N
109
+ ATOM 108 CA TYR A 16 -3.008 3.824 9.108 1.00 0.00 C
110
+ ATOM 109 C TYR A 16 -2.491 4.424 7.806 1.00 0.00 C
111
+ ATOM 110 CB TYR A 16 -3.312 4.942 10.111 1.00 0.00 C
112
+ ATOM 111 O TYR A 16 -1.400 4.996 7.768 1.00 0.00 O
113
+ ATOM 112 CG TYR A 16 -4.255 4.526 11.214 1.00 0.00 C
114
+ ATOM 113 CD1 TYR A 16 -5.615 4.350 10.965 1.00 0.00 C
115
+ ATOM 114 CD2 TYR A 16 -3.790 4.310 12.507 1.00 0.00 C
116
+ ATOM 115 CE1 TYR A 16 -6.488 3.968 11.979 1.00 0.00 C
117
+ ATOM 116 CE2 TYR A 16 -4.654 3.929 13.528 1.00 0.00 C
118
+ ATOM 117 OH TYR A 16 -6.859 3.384 14.262 1.00 0.00 O
119
+ ATOM 118 CZ TYR A 16 -5.999 3.761 13.255 1.00 0.00 C
120
+ ATOM 119 N ILE A 17 -3.263 4.207 6.758 1.00 0.00 N
121
+ ATOM 120 CA ILE A 17 -2.927 4.702 5.427 1.00 0.00 C
122
+ ATOM 121 C ILE A 17 -4.070 5.563 4.893 1.00 0.00 C
123
+ ATOM 122 CB ILE A 17 -2.630 3.541 4.452 1.00 0.00 C
124
+ ATOM 123 O ILE A 17 -5.243 5.212 5.045 1.00 0.00 O
125
+ ATOM 124 CG1 ILE A 17 -1.533 2.633 5.020 1.00 0.00 C
126
+ ATOM 125 CG2 ILE A 17 -2.235 4.081 3.074 1.00 0.00 C
127
+ ATOM 126 CD1 ILE A 17 -0.175 3.310 5.149 1.00 0.00 C
128
+ ATOM 127 N LYS A 18 -3.756 6.678 4.366 1.00 0.00 N
129
+ ATOM 128 CA LYS A 18 -4.759 7.447 3.636 1.00 0.00 C
130
+ ATOM 129 C LYS A 18 -4.954 6.898 2.226 1.00 0.00 C
131
+ ATOM 130 CB LYS A 18 -4.363 8.923 3.573 1.00 0.00 C
132
+ ATOM 131 O LYS A 18 -3.987 6.733 1.478 1.00 0.00 O
133
+ ATOM 132 CG LYS A 18 -4.306 9.607 4.931 1.00 0.00 C
134
+ ATOM 133 CD LYS A 18 -3.764 11.027 4.820 1.00 0.00 C
135
+ ATOM 134 CE LYS A 18 -3.511 11.637 6.191 1.00 0.00 C
136
+ ATOM 135 NZ LYS A 18 -2.797 12.946 6.092 1.00 0.00 N
137
+ ATOM 136 N VAL A 19 -6.188 6.573 1.911 1.00 0.00 N
138
+ ATOM 137 CA VAL A 19 -6.516 5.928 0.644 1.00 0.00 C
139
+ ATOM 138 C VAL A 19 -7.412 6.844 -0.186 1.00 0.00 C
140
+ ATOM 139 CB VAL A 19 -7.207 4.564 0.865 1.00 0.00 C
141
+ ATOM 140 O VAL A 19 -8.370 7.421 0.332 1.00 0.00 O
142
+ ATOM 141 CG1 VAL A 19 -7.553 3.912 -0.472 1.00 0.00 C
143
+ ATOM 142 CG2 VAL A 19 -6.316 3.643 1.697 1.00 0.00 C
144
+ ATOM 143 N PHE A 20 -7.036 6.984 -1.405 1.00 0.00 N
145
+ ATOM 144 CA PHE A 20 -7.805 7.775 -2.358 1.00 0.00 C
146
+ ATOM 145 C PHE A 20 -8.181 6.940 -3.576 1.00 0.00 C
147
+ ATOM 146 CB PHE A 20 -7.014 9.013 -2.793 1.00 0.00 C
148
+ ATOM 147 O PHE A 20 -7.322 6.298 -4.184 1.00 0.00 O
149
+ ATOM 148 CG PHE A 20 -7.624 9.743 -3.960 1.00 0.00 C
150
+ ATOM 149 CD1 PHE A 20 -8.859 10.367 -3.838 1.00 0.00 C
151
+ ATOM 150 CD2 PHE A 20 -6.960 9.806 -5.178 1.00 0.00 C
152
+ ATOM 151 CE1 PHE A 20 -9.426 11.044 -4.916 1.00 0.00 C
153
+ ATOM 152 CE2 PHE A 20 -7.520 10.481 -6.260 1.00 0.00 C
154
+ ATOM 153 CZ PHE A 20 -8.753 11.098 -6.127 1.00 0.00 C
155
+ ATOM 154 N LYS A 21 -9.480 6.871 -3.878 1.00 0.00 N
156
+ ATOM 155 CA LYS A 21 -10.021 6.250 -5.084 1.00 0.00 C
157
+ ATOM 156 C LYS A 21 -10.595 7.298 -6.033 1.00 0.00 C
158
+ ATOM 157 CB LYS A 21 -11.097 5.225 -4.723 1.00 0.00 C
159
+ ATOM 158 O LYS A 21 -11.656 7.868 -5.769 1.00 0.00 O
160
+ ATOM 159 CG LYS A 21 -10.580 4.038 -3.923 1.00 0.00 C
161
+ ATOM 160 CD LYS A 21 -11.684 3.028 -3.644 1.00 0.00 C
162
+ ATOM 161 CE LYS A 21 -11.174 1.857 -2.813 1.00 0.00 C
163
+ ATOM 162 NZ LYS A 21 -12.249 0.853 -2.553 1.00 0.00 N
164
+ ATOM 163 N PRO A 22 -9.756 7.578 -7.073 1.00 0.00 N
165
+ ATOM 164 CA PRO A 22 -10.276 8.599 -7.986 1.00 0.00 C
166
+ ATOM 165 C PRO A 22 -11.585 8.182 -8.653 1.00 0.00 C
167
+ ATOM 166 CB PRO A 22 -9.158 8.748 -9.021 1.00 0.00 C
168
+ ATOM 167 O PRO A 22 -11.695 7.062 -9.158 1.00 0.00 O
169
+ ATOM 168 CG PRO A 22 -7.981 8.054 -8.415 1.00 0.00 C
170
+ ATOM 169 CD PRO A 22 -8.479 7.089 -7.378 1.00 0.00 C
171
+ ATOM 170 N LYS A 23 -12.673 8.450 -8.149 1.00 0.00 N
172
+ ATOM 171 CA LYS A 23 -13.964 8.233 -8.798 1.00 0.00 C
173
+ ATOM 172 C LYS A 23 -14.388 9.461 -9.599 1.00 0.00 C
174
+ ATOM 173 CB LYS A 23 -15.034 7.888 -7.762 1.00 0.00 C
175
+ ATOM 174 O LYS A 23 -14.031 10.589 -9.254 1.00 0.00 O
176
+ ATOM 175 CG LYS A 23 -14.888 6.498 -7.160 1.00 0.00 C
177
+ ATOM 176 CD LYS A 23 -16.137 6.088 -6.391 1.00 0.00 C
178
+ ATOM 177 CE LYS A 23 -15.987 4.701 -5.778 1.00 0.00 C
179
+ ATOM 178 NZ LYS A 23 -17.236 4.263 -5.087 1.00 0.00 N
180
+ ATOM 179 N LYS A 24 -14.902 9.230 -10.827 1.00 0.00 N
181
+ ATOM 180 CA LYS A 24 -15.199 10.181 -11.894 1.00 0.00 C
182
+ ATOM 181 C LYS A 24 -16.065 11.329 -11.382 1.00 0.00 C
183
+ ATOM 182 CB LYS A 24 -15.895 9.480 -13.061 1.00 0.00 C
184
+ ATOM 183 O LYS A 24 -15.993 12.446 -11.897 1.00 0.00 O
185
+ ATOM 184 CG LYS A 24 -14.958 8.667 -13.941 1.00 0.00 C
186
+ ATOM 185 CD LYS A 24 -15.656 8.187 -15.208 1.00 0.00 C
187
+ ATOM 186 CE LYS A 24 -14.731 7.341 -16.072 1.00 0.00 C
188
+ ATOM 187 NZ LYS A 24 -15.397 6.905 -17.335 1.00 0.00 N
189
+ ATOM 188 N LEU A 25 -16.818 11.138 -10.255 1.00 0.00 N
190
+ ATOM 189 CA LEU A 25 -17.782 12.224 -10.104 1.00 0.00 C
191
+ ATOM 190 C LEU A 25 -17.859 12.684 -8.653 1.00 0.00 C
192
+ ATOM 191 CB LEU A 25 -19.166 11.783 -10.586 1.00 0.00 C
193
+ ATOM 192 O LEU A 25 -18.615 13.602 -8.327 1.00 0.00 O
194
+ ATOM 193 CG LEU A 25 -19.342 11.634 -12.098 1.00 0.00 C
195
+ ATOM 194 CD1 LEU A 25 -20.513 10.707 -12.407 1.00 0.00 C
196
+ ATOM 195 CD2 LEU A 25 -19.546 12.998 -12.749 1.00 0.00 C
197
+ ATOM 196 N THR A 26 -16.977 12.216 -7.784 1.00 0.00 N
198
+ ATOM 197 CA THR A 26 -17.061 12.648 -6.395 1.00 0.00 C
199
+ ATOM 198 C THR A 26 -15.690 13.074 -5.876 1.00 0.00 C
200
+ ATOM 199 CB THR A 26 -17.629 11.534 -5.496 1.00 0.00 C
201
+ ATOM 200 O THR A 26 -14.678 12.446 -6.194 1.00 0.00 O
202
+ ATOM 201 CG2 THR A 26 -19.083 11.233 -5.847 1.00 0.00 C
203
+ ATOM 202 OG1 THR A 26 -16.850 10.345 -5.670 1.00 0.00 O
204
+ ATOM 203 N LEU A 27 -15.551 14.372 -5.628 1.00 0.00 N
205
+ ATOM 204 CA LEU A 27 -14.419 15.091 -5.054 1.00 0.00 C
206
+ ATOM 205 C LEU A 27 -13.979 14.453 -3.740 1.00 0.00 C
207
+ ATOM 206 CB LEU A 27 -14.778 16.561 -4.825 1.00 0.00 C
208
+ ATOM 207 O LEU A 27 -13.749 15.153 -2.752 1.00 0.00 O
209
+ ATOM 208 CG LEU A 27 -14.846 17.444 -6.073 1.00 0.00 C
210
+ ATOM 209 CD1 LEU A 27 -15.750 18.646 -5.822 1.00 0.00 C
211
+ ATOM 210 CD2 LEU A 27 -13.449 17.897 -6.485 1.00 0.00 C
212
+ ATOM 211 N LYS A 28 -14.159 13.250 -3.565 1.00 0.00 N
213
+ ATOM 212 CA LYS A 28 -13.740 12.714 -2.273 1.00 0.00 C
214
+ ATOM 213 C LYS A 28 -12.223 12.569 -2.202 1.00 0.00 C
215
+ ATOM 214 CB LYS A 28 -14.409 11.364 -2.009 1.00 0.00 C
216
+ ATOM 215 O LYS A 28 -11.577 12.260 -3.206 1.00 0.00 O
217
+ ATOM 216 CG LYS A 28 -15.905 11.454 -1.747 1.00 0.00 C
218
+ ATOM 217 CD LYS A 28 -16.445 10.165 -1.141 1.00 0.00 C
219
+ ATOM 218 CE LYS A 28 -17.950 10.238 -0.918 1.00 0.00 C
220
+ ATOM 219 NZ LYS A 28 -18.471 9.010 -0.247 1.00 0.00 N
221
+ ATOM 220 N GLY A 29 -11.609 13.269 -1.207 1.00 0.00 N
222
+ ATOM 221 CA GLY A 29 -10.202 13.299 -0.841 1.00 0.00 C
223
+ ATOM 222 C GLY A 29 -9.733 12.023 -0.168 1.00 0.00 C
224
+ ATOM 223 O GLY A 29 -10.434 11.009 -0.192 1.00 0.00 O
225
+ ATOM 224 N TYR A 30 -8.626 11.999 0.265 1.00 0.00 N
226
+ ATOM 225 CA TYR A 30 -8.044 10.882 1.001 1.00 0.00 C
227
+ ATOM 226 C TYR A 30 -8.854 10.572 2.255 1.00 0.00 C
228
+ ATOM 227 CB TYR A 30 -6.591 11.188 1.381 1.00 0.00 C
229
+ ATOM 228 O TYR A 30 -9.301 11.485 2.953 1.00 0.00 O
230
+ ATOM 229 CG TYR A 30 -5.623 11.059 0.231 1.00 0.00 C
231
+ ATOM 230 CD1 TYR A 30 -4.986 9.849 -0.037 1.00 0.00 C
232
+ ATOM 231 CD2 TYR A 30 -5.342 12.146 -0.590 1.00 0.00 C
233
+ ATOM 232 CE1 TYR A 30 -4.091 9.726 -1.095 1.00 0.00 C
234
+ ATOM 233 CE2 TYR A 30 -4.449 12.035 -1.650 1.00 0.00 C
235
+ ATOM 234 OH TYR A 30 -2.945 10.705 -2.944 1.00 0.00 O
236
+ ATOM 235 CZ TYR A 30 -3.830 10.822 -1.895 1.00 0.00 C
237
+ ATOM 236 N LYS A 31 -9.124 9.304 2.514 1.00 0.00 N
238
+ ATOM 237 CA LYS A 31 -9.680 8.810 3.770 1.00 0.00 C
239
+ ATOM 238 C LYS A 31 -8.700 7.873 4.473 1.00 0.00 C
240
+ ATOM 239 CB LYS A 31 -11.008 8.093 3.525 1.00 0.00 C
241
+ ATOM 240 O LYS A 31 -8.050 7.049 3.828 1.00 0.00 O
242
+ ATOM 241 CG LYS A 31 -11.755 7.721 4.797 1.00 0.00 C
243
+ ATOM 242 CD LYS A 31 -13.186 7.291 4.500 1.00 0.00 C
244
+ ATOM 243 CE LYS A 31 -13.921 6.878 5.768 1.00 0.00 C
245
+ ATOM 244 NZ LYS A 31 -15.355 6.556 5.497 1.00 0.00 N
246
+ ATOM 245 N GLN A 32 -8.683 8.060 5.727 1.00 0.00 N
247
+ ATOM 246 CA GLN A 32 -7.756 7.247 6.507 1.00 0.00 C
248
+ ATOM 247 C GLN A 32 -8.374 5.899 6.868 1.00 0.00 C
249
+ ATOM 248 CB GLN A 32 -7.332 7.987 7.778 1.00 0.00 C
250
+ ATOM 249 O GLN A 32 -9.514 5.838 7.332 1.00 0.00 O
251
+ ATOM 250 CG GLN A 32 -6.189 7.317 8.527 1.00 0.00 C
252
+ ATOM 251 CD GLN A 32 -5.629 8.182 9.640 1.00 0.00 C
253
+ ATOM 252 NE2 GLN A 32 -5.990 7.865 10.878 1.00 0.00 N
254
+ ATOM 253 OE1 GLN A 32 -4.876 9.129 9.388 1.00 0.00 O
255
+ ATOM 254 N TYR A 33 -7.650 4.841 6.619 1.00 0.00 N
256
+ ATOM 255 CA TYR A 33 -8.034 3.475 6.959 1.00 0.00 C
257
+ ATOM 256 C TYR A 33 -6.930 2.776 7.742 1.00 0.00 C
258
+ ATOM 257 CB TYR A 33 -8.362 2.678 5.693 1.00 0.00 C
259
+ ATOM 258 O TYR A 33 -5.760 3.156 7.651 1.00 0.00 O
260
+ ATOM 259 CG TYR A 33 -9.590 3.170 4.966 1.00 0.00 C
261
+ ATOM 260 CD1 TYR A 33 -10.852 2.661 5.266 1.00 0.00 C
262
+ ATOM 261 CD2 TYR A 33 -9.491 4.144 3.979 1.00 0.00 C
263
+ ATOM 262 CE1 TYR A 33 -11.986 3.110 4.598 1.00 0.00 C
264
+ ATOM 263 CE2 TYR A 33 -10.619 4.600 3.303 1.00 0.00 C
265
+ ATOM 264 OH TYR A 33 -12.979 4.527 2.954 1.00 0.00 O
266
+ ATOM 265 CZ TYR A 33 -11.860 4.079 3.620 1.00 0.00 C
267
+ ATOM 266 N TRP A 34 -7.340 1.818 8.563 1.00 0.00 N
268
+ ATOM 267 CA TRP A 34 -6.387 0.823 9.043 1.00 0.00 C
269
+ ATOM 268 C TRP A 34 -6.163 -0.267 8.000 1.00 0.00 C
270
+ ATOM 269 CB TRP A 34 -6.874 0.200 10.354 1.00 0.00 C
271
+ ATOM 270 O TRP A 34 -7.064 -1.059 7.718 1.00 0.00 O
272
+ ATOM 271 CG TRP A 34 -5.976 -0.875 10.888 1.00 0.00 C
273
+ ATOM 272 CD1 TRP A 34 -6.229 -2.218 10.922 1.00 0.00 C
274
+ ATOM 273 CD2 TRP A 34 -4.681 -0.696 11.470 1.00 0.00 C
275
+ ATOM 274 CE2 TRP A 34 -4.206 -1.975 11.835 1.00 0.00 C
276
+ ATOM 275 CE3 TRP A 34 -3.876 0.424 11.718 1.00 0.00 C
277
+ ATOM 276 NE1 TRP A 34 -5.168 -2.885 11.490 1.00 0.00 N
278
+ ATOM 277 CH2 TRP A 34 -2.191 -1.052 12.667 1.00 0.00 C
279
+ ATOM 278 CZ2 TRP A 34 -2.959 -2.164 12.435 1.00 0.00 C
280
+ ATOM 279 CZ3 TRP A 34 -2.636 0.232 12.316 1.00 0.00 C
281
+ ATOM 280 N CYS A 35 -4.936 -0.275 7.474 1.00 0.00 N
282
+ ATOM 281 CA CYS A 35 -4.637 -1.176 6.367 1.00 0.00 C
283
+ ATOM 282 C CYS A 35 -3.649 -2.255 6.794 1.00 0.00 C
284
+ ATOM 283 CB CYS A 35 -4.074 -0.396 5.179 1.00 0.00 C
285
+ ATOM 284 O CYS A 35 -2.667 -1.967 7.479 1.00 0.00 O
286
+ ATOM 285 SG CYS A 35 -5.230 0.805 4.482 1.00 0.00 S
287
+ ATOM 286 N THR A 36 -3.935 -3.431 6.380 1.00 0.00 N
288
+ ATOM 287 CA THR A 36 -3.015 -4.550 6.548 1.00 0.00 C
289
+ ATOM 288 C THR A 36 -2.565 -5.089 5.193 1.00 0.00 C
290
+ ATOM 289 CB THR A 36 -3.657 -5.684 7.368 1.00 0.00 C
291
+ ATOM 290 O THR A 36 -3.303 -5.001 4.208 1.00 0.00 O
292
+ ATOM 291 CG2 THR A 36 -4.140 -5.179 8.723 1.00 0.00 C
293
+ ATOM 292 OG1 THR A 36 -4.774 -6.215 6.643 1.00 0.00 O
294
+ ATOM 293 N PHE A 37 -1.385 -5.468 5.150 1.00 0.00 N
295
+ ATOM 294 CA PHE A 37 -0.790 -6.080 3.967 1.00 0.00 C
296
+ ATOM 295 C PHE A 37 -0.390 -7.523 4.248 1.00 0.00 C
297
+ ATOM 296 CB PHE A 37 0.429 -5.278 3.500 1.00 0.00 C
298
+ ATOM 297 O PHE A 37 0.493 -7.779 5.070 1.00 0.00 O
299
+ ATOM 298 CG PHE A 37 0.735 -5.437 2.036 1.00 0.00 C
300
+ ATOM 299 CD1 PHE A 37 0.930 -6.697 1.485 1.00 0.00 C
301
+ ATOM 300 CD2 PHE A 37 0.829 -4.324 1.209 1.00 0.00 C
302
+ ATOM 301 CE1 PHE A 37 1.214 -6.847 0.129 1.00 0.00 C
303
+ ATOM 302 CE2 PHE A 37 1.112 -4.466 -0.146 1.00 0.00 C
304
+ ATOM 303 CZ PHE A 37 1.305 -5.729 -0.684 1.00 0.00 C
305
+ ATOM 304 N LYS A 38 -1.027 -8.423 3.638 1.00 0.00 N
306
+ ATOM 305 CA LYS A 38 -0.744 -9.846 3.805 1.00 0.00 C
307
+ ATOM 306 C LYS A 38 -0.685 -10.556 2.456 1.00 0.00 C
308
+ ATOM 307 CB LYS A 38 -1.799 -10.503 4.697 1.00 0.00 C
309
+ ATOM 308 O LYS A 38 -1.558 -10.362 1.607 1.00 0.00 O
310
+ ATOM 309 CG LYS A 38 -1.459 -11.927 5.111 1.00 0.00 C
311
+ ATOM 310 CD LYS A 38 -2.480 -12.480 6.098 1.00 0.00 C
312
+ ATOM 311 CE LYS A 38 -2.118 -13.889 6.548 1.00 0.00 C
313
+ ATOM 312 NZ LYS A 38 -3.085 -14.415 7.556 1.00 0.00 N
314
+ ATOM 313 N ASP A 39 0.360 -11.393 2.268 1.00 0.00 N
315
+ ATOM 314 CA ASP A 39 0.628 -12.068 1.002 1.00 0.00 C
316
+ ATOM 315 C ASP A 39 0.676 -11.071 -0.153 1.00 0.00 C
317
+ ATOM 316 CB ASP A 39 -0.429 -13.139 0.730 1.00 0.00 C
318
+ ATOM 317 O ASP A 39 1.602 -10.263 -0.246 1.00 0.00 O
319
+ ATOM 318 CG ASP A 39 -0.443 -14.239 1.777 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 39 0.640 -14.632 2.263 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 39 -1.546 -14.720 2.117 1.00 0.00 O
322
+ ATOM 321 N THR A 40 -0.249 -11.055 -0.942 1.00 0.00 N
323
+ ATOM 322 CA THR A 40 -0.239 -10.100 -2.046 1.00 0.00 C
324
+ ATOM 323 C THR A 40 -1.431 -9.152 -1.953 1.00 0.00 C
325
+ ATOM 324 CB THR A 40 -0.257 -10.820 -3.407 1.00 0.00 C
326
+ ATOM 325 O THR A 40 -1.806 -8.520 -2.942 1.00 0.00 O
327
+ ATOM 326 CG2 THR A 40 0.996 -11.669 -3.597 1.00 0.00 C
328
+ ATOM 327 OG1 THR A 40 -1.411 -11.668 -3.477 1.00 0.00 O
329
+ ATOM 328 N SER A 41 -2.041 -9.069 -0.775 1.00 0.00 N
330
+ ATOM 329 CA SER A 41 -3.312 -8.360 -0.656 1.00 0.00 C
331
+ ATOM 330 C SER A 41 -3.236 -7.262 0.400 1.00 0.00 C
332
+ ATOM 331 CB SER A 41 -4.439 -9.335 -0.311 1.00 0.00 C
333
+ ATOM 332 O SER A 41 -2.580 -7.431 1.431 1.00 0.00 O
334
+ ATOM 333 OG SER A 41 -4.641 -10.263 -1.363 1.00 0.00 O
335
+ ATOM 334 N ILE A 42 -3.939 -6.209 0.098 1.00 0.00 N
336
+ ATOM 335 CA ILE A 42 -4.173 -5.130 1.051 1.00 0.00 C
337
+ ATOM 336 C ILE A 42 -5.623 -5.169 1.530 1.00 0.00 C
338
+ ATOM 337 CB ILE A 42 -3.850 -3.751 0.434 1.00 0.00 C
339
+ ATOM 338 O ILE A 42 -6.549 -5.242 0.719 1.00 0.00 O
340
+ ATOM 339 CG1 ILE A 42 -2.371 -3.677 0.035 1.00 0.00 C
341
+ ATOM 340 CG2 ILE A 42 -4.211 -2.626 1.409 1.00 0.00 C
342
+ ATOM 341 CD1 ILE A 42 -2.011 -2.444 -0.783 1.00 0.00 C
343
+ ATOM 342 N SER A 43 -5.810 -5.169 2.799 1.00 0.00 N
344
+ ATOM 343 CA SER A 43 -7.121 -5.019 3.422 1.00 0.00 C
345
+ ATOM 344 C SER A 43 -7.209 -3.722 4.221 1.00 0.00 C
346
+ ATOM 345 CB SER A 43 -7.421 -6.210 4.333 1.00 0.00 C
347
+ ATOM 346 O SER A 43 -6.340 -3.436 5.047 1.00 0.00 O
348
+ ATOM 347 OG SER A 43 -7.391 -7.423 3.602 1.00 0.00 O
349
+ ATOM 348 N CYS A 44 -8.241 -2.955 3.906 1.00 0.00 N
350
+ ATOM 349 CA CYS A 44 -8.440 -1.677 4.581 1.00 0.00 C
351
+ ATOM 350 C CYS A 44 -9.677 -1.716 5.470 1.00 0.00 C
352
+ ATOM 351 CB CYS A 44 -8.568 -0.546 3.561 1.00 0.00 C
353
+ ATOM 352 O CYS A 44 -10.766 -2.061 5.010 1.00 0.00 O
354
+ ATOM 353 SG CYS A 44 -7.140 -0.385 2.467 1.00 0.00 S
355
+ ATOM 354 N TYR A 45 -9.491 -1.366 6.736 1.00 0.00 N
356
+ ATOM 355 CA TYR A 45 -10.550 -1.342 7.738 1.00 0.00 C
357
+ ATOM 356 C TYR A 45 -10.809 0.079 8.224 1.00 0.00 C
358
+ ATOM 357 CB TYR A 45 -10.189 -2.240 8.924 1.00 0.00 C
359
+ ATOM 358 O TYR A 45 -9.916 0.930 8.178 1.00 0.00 O
360
+ ATOM 359 CG TYR A 45 -9.822 -3.650 8.528 1.00 0.00 C
361
+ ATOM 360 CD1 TYR A 45 -10.781 -4.661 8.509 1.00 0.00 C
362
+ ATOM 361 CD2 TYR A 45 -8.517 -3.975 8.173 1.00 0.00 C
363
+ ATOM 362 CE1 TYR A 45 -10.447 -5.962 8.146 1.00 0.00 C
364
+ ATOM 363 CE2 TYR A 45 -8.173 -5.272 7.809 1.00 0.00 C
365
+ ATOM 364 OH TYR A 45 -8.807 -7.543 7.438 1.00 0.00 O
366
+ ATOM 365 CZ TYR A 45 -9.143 -6.257 7.798 1.00 0.00 C
367
+ ATOM 366 N LYS A 46 -12.018 0.338 8.665 1.00 0.00 N
368
+ ATOM 367 CA LYS A 46 -12.349 1.674 9.154 1.00 0.00 C
369
+ ATOM 368 C LYS A 46 -11.510 2.036 10.376 1.00 0.00 C
370
+ ATOM 369 CB LYS A 46 -13.837 1.767 9.492 1.00 0.00 C
371
+ ATOM 370 O LYS A 46 -11.144 3.199 10.560 1.00 0.00 O
372
+ ATOM 371 CG LYS A 46 -14.753 1.733 8.278 1.00 0.00 C
373
+ ATOM 372 CD LYS A 46 -16.214 1.897 8.675 1.00 0.00 C
374
+ ATOM 373 CE LYS A 46 -17.136 1.811 7.466 1.00 0.00 C
375
+ ATOM 374 NZ LYS A 46 -18.574 1.889 7.858 1.00 0.00 N
376
+ ATOM 375 N SER A 47 -11.220 1.112 11.130 1.00 0.00 N
377
+ ATOM 376 CA SER A 47 -10.389 1.283 12.317 1.00 0.00 C
378
+ ATOM 377 C SER A 47 -9.634 0.001 12.652 1.00 0.00 C
379
+ ATOM 378 CB SER A 47 -11.240 1.711 13.512 1.00 0.00 C
380
+ ATOM 379 O SER A 47 -10.000 -1.081 12.188 1.00 0.00 O
381
+ ATOM 380 OG SER A 47 -12.065 0.645 13.950 1.00 0.00 O
382
+ ATOM 381 N LYS A 48 -8.616 0.170 13.387 1.00 0.00 N
383
+ ATOM 382 CA LYS A 48 -7.817 -0.968 13.832 1.00 0.00 C
384
+ ATOM 383 C LYS A 48 -8.675 -1.980 14.586 1.00 0.00 C
385
+ ATOM 384 CB LYS A 48 -6.661 -0.500 14.718 1.00 0.00 C
386
+ ATOM 385 O LYS A 48 -8.509 -3.191 14.419 1.00 0.00 O
387
+ ATOM 386 CG LYS A 48 -5.685 -1.605 15.096 1.00 0.00 C
388
+ ATOM 387 CD LYS A 48 -4.519 -1.064 15.912 1.00 0.00 C
389
+ ATOM 388 CE LYS A 48 -3.533 -2.166 16.278 1.00 0.00 C
390
+ ATOM 389 NZ LYS A 48 -2.373 -1.635 17.056 1.00 0.00 N
391
+ ATOM 390 N GLU A 49 -9.638 -1.574 15.381 1.00 0.00 N
392
+ ATOM 391 CA GLU A 49 -10.521 -2.419 16.180 1.00 0.00 C
393
+ ATOM 392 C GLU A 49 -11.419 -3.275 15.290 1.00 0.00 C
394
+ ATOM 393 CB GLU A 49 -11.373 -1.567 17.123 1.00 0.00 C
395
+ ATOM 394 O GLU A 49 -11.879 -4.340 15.706 1.00 0.00 O
396
+ ATOM 395 CG GLU A 49 -10.567 -0.834 18.186 1.00 0.00 C
397
+ ATOM 396 CD GLU A 49 -9.843 0.391 17.651 1.00 0.00 C
398
+ ATOM 397 OE1 GLU A 49 -10.237 0.911 16.582 1.00 0.00 O
399
+ ATOM 398 OE2 GLU A 49 -8.872 0.834 18.304 1.00 0.00 O
400
+ ATOM 399 N GLU A 50 -11.653 -2.848 14.133 1.00 0.00 N
401
+ ATOM 400 CA GLU A 50 -12.558 -3.551 13.228 1.00 0.00 C
402
+ ATOM 401 C GLU A 50 -11.795 -4.514 12.324 1.00 0.00 C
403
+ ATOM 402 CB GLU A 50 -13.355 -2.555 12.382 1.00 0.00 C
404
+ ATOM 403 O GLU A 50 -12.378 -5.128 11.428 1.00 0.00 O
405
+ ATOM 404 CG GLU A 50 -14.371 -1.748 13.177 1.00 0.00 C
406
+ ATOM 405 CD GLU A 50 -15.232 -0.846 12.308 1.00 0.00 C
407
+ ATOM 406 OE1 GLU A 50 -15.309 -1.079 11.081 1.00 0.00 O
408
+ ATOM 407 OE2 GLU A 50 -15.835 0.102 12.859 1.00 0.00 O
409
+ ATOM 408 N SER A 51 -10.463 -4.672 12.512 1.00 0.00 N
410
+ ATOM 409 CA SER A 51 -9.615 -5.419 11.590 1.00 0.00 C
411
+ ATOM 410 C SER A 51 -9.868 -6.920 11.699 1.00 0.00 C
412
+ ATOM 411 CB SER A 51 -8.139 -5.123 11.858 1.00 0.00 C
413
+ ATOM 412 O SER A 51 -9.301 -7.706 10.939 1.00 0.00 O
414
+ ATOM 413 OG SER A 51 -7.774 -5.527 13.166 1.00 0.00 O
415
+ ATOM 414 N SER A 52 -10.746 -7.301 12.666 1.00 0.00 N
416
+ ATOM 415 CA SER A 52 -11.144 -8.704 12.727 1.00 0.00 C
417
+ ATOM 416 C SER A 52 -12.409 -8.956 11.913 1.00 0.00 C
418
+ ATOM 417 CB SER A 52 -11.364 -9.137 14.176 1.00 0.00 C
419
+ ATOM 418 O SER A 52 -12.842 -10.101 11.768 1.00 0.00 O
420
+ ATOM 419 OG SER A 52 -12.322 -8.306 14.809 1.00 0.00 O
421
+ ATOM 420 N GLY A 53 -12.928 -8.002 11.408 1.00 0.00 N
422
+ ATOM 421 CA GLY A 53 -14.146 -8.118 10.623 1.00 0.00 C
423
+ ATOM 422 C GLY A 53 -13.913 -7.961 9.132 1.00 0.00 C
424
+ ATOM 423 O GLY A 53 -12.821 -8.248 8.636 1.00 0.00 O
425
+ ATOM 424 N THR A 54 -14.976 -7.669 8.433 1.00 0.00 N
426
+ ATOM 425 CA THR A 54 -14.938 -7.518 6.982 1.00 0.00 C
427
+ ATOM 426 C THR A 54 -14.267 -6.206 6.592 1.00 0.00 C
428
+ ATOM 427 CB THR A 54 -16.354 -7.574 6.378 1.00 0.00 C
429
+ ATOM 428 O THR A 54 -14.642 -5.139 7.084 1.00 0.00 O
430
+ ATOM 429 CG2 THR A 54 -16.308 -7.459 4.858 1.00 0.00 C
431
+ ATOM 430 OG1 THR A 54 -16.970 -8.818 6.733 1.00 0.00 O
432
+ ATOM 431 N PRO A 55 -13.242 -6.246 5.833 1.00 0.00 N
433
+ ATOM 432 CA PRO A 55 -12.605 -4.998 5.407 1.00 0.00 C
434
+ ATOM 433 C PRO A 55 -13.523 -4.129 4.550 1.00 0.00 C
435
+ ATOM 434 CB PRO A 55 -11.396 -5.478 4.598 1.00 0.00 C
436
+ ATOM 435 O PRO A 55 -14.396 -4.650 3.852 1.00 0.00 O
437
+ ATOM 436 CG PRO A 55 -11.772 -6.845 4.126 1.00 0.00 C
438
+ ATOM 437 CD PRO A 55 -12.710 -7.456 5.128 1.00 0.00 C
439
+ ATOM 438 N ALA A 56 -13.377 -2.878 4.638 1.00 0.00 N
440
+ ATOM 439 CA ALA A 56 -14.052 -1.909 3.779 1.00 0.00 C
441
+ ATOM 440 C ALA A 56 -13.598 -2.053 2.329 1.00 0.00 C
442
+ ATOM 441 CB ALA A 56 -13.795 -0.488 4.274 1.00 0.00 C
443
+ ATOM 442 O ALA A 56 -14.399 -1.907 1.403 1.00 0.00 O
444
+ ATOM 443 N HIS A 57 -12.328 -2.290 2.204 1.00 0.00 N
445
+ ATOM 444 CA HIS A 57 -11.695 -2.523 0.910 1.00 0.00 C
446
+ ATOM 445 C HIS A 57 -10.682 -3.659 0.988 1.00 0.00 C
447
+ ATOM 446 CB HIS A 57 -11.014 -1.246 0.411 1.00 0.00 C
448
+ ATOM 447 O HIS A 57 -9.977 -3.802 1.990 1.00 0.00 O
449
+ ATOM 448 CG HIS A 57 -11.891 -0.036 0.471 1.00 0.00 C
450
+ ATOM 449 CD2 HIS A 57 -11.896 1.016 1.322 1.00 0.00 C
451
+ ATOM 450 ND1 HIS A 57 -12.914 0.187 -0.425 1.00 0.00 N
452
+ ATOM 451 CE1 HIS A 57 -13.513 1.327 -0.125 1.00 0.00 C
453
+ ATOM 452 NE2 HIS A 57 -12.914 1.851 0.930 1.00 0.00 N
454
+ ATOM 453 N GLN A 58 -10.753 -4.448 -0.009 1.00 0.00 N
455
+ ATOM 454 CA GLN A 58 -9.740 -5.487 -0.164 1.00 0.00 C
456
+ ATOM 455 C GLN A 58 -9.262 -5.577 -1.610 1.00 0.00 C
457
+ ATOM 456 CB GLN A 58 -10.285 -6.841 0.294 1.00 0.00 C
458
+ ATOM 457 O GLN A 58 -10.073 -5.561 -2.541 1.00 0.00 O
459
+ ATOM 458 CG GLN A 58 -9.234 -7.941 0.344 1.00 0.00 C
460
+ ATOM 459 CD GLN A 58 -9.748 -9.217 0.985 1.00 0.00 C
461
+ ATOM 460 NE2 GLN A 58 -8.834 -10.039 1.489 1.00 0.00 N
462
+ ATOM 461 OE1 GLN A 58 -10.959 -9.460 1.027 1.00 0.00 O
463
+ ATOM 462 N MET A 59 -7.953 -5.629 -1.733 1.00 0.00 N
464
+ ATOM 463 CA MET A 59 -7.386 -5.672 -3.079 1.00 0.00 C
465
+ ATOM 464 C MET A 59 -6.253 -6.690 -3.160 1.00 0.00 C
466
+ ATOM 465 CB MET A 59 -6.880 -4.291 -3.494 1.00 0.00 C
467
+ ATOM 466 O MET A 59 -5.416 -6.766 -2.259 1.00 0.00 O
468
+ ATOM 467 CG MET A 59 -7.918 -3.189 -3.356 1.00 0.00 C
469
+ ATOM 468 SD MET A 59 -7.173 -1.512 -3.381 1.00 0.00 S
470
+ ATOM 469 CE MET A 59 -6.428 -1.469 -1.727 1.00 0.00 C
471
+ ATOM 470 N ASN A 60 -6.301 -7.448 -4.237 1.00 0.00 N
472
+ ATOM 471 CA ASN A 60 -5.185 -8.306 -4.619 1.00 0.00 C
473
+ ATOM 472 C ASN A 60 -4.281 -7.628 -5.645 1.00 0.00 C
474
+ ATOM 473 CB ASN A 60 -5.696 -9.642 -5.163 1.00 0.00 C
475
+ ATOM 474 O ASN A 60 -4.745 -7.214 -6.709 1.00 0.00 O
476
+ ATOM 475 CG ASN A 60 -4.586 -10.656 -5.357 1.00 0.00 C
477
+ ATOM 476 ND2 ASN A 60 -4.786 -11.861 -4.837 1.00 0.00 N
478
+ ATOM 477 OD1 ASN A 60 -3.558 -10.359 -5.969 1.00 0.00 O
479
+ ATOM 478 N LEU A 61 -3.026 -7.557 -5.404 1.00 0.00 N
480
+ ATOM 479 CA LEU A 61 -2.156 -6.669 -6.169 1.00 0.00 C
481
+ ATOM 480 C LEU A 61 -1.398 -7.443 -7.243 1.00 0.00 C
482
+ ATOM 481 CB LEU A 61 -1.167 -5.957 -5.243 1.00 0.00 C
483
+ ATOM 482 O LEU A 61 -0.560 -6.877 -7.948 1.00 0.00 O
484
+ ATOM 483 CG LEU A 61 -1.772 -5.018 -4.199 1.00 0.00 C
485
+ ATOM 484 CD1 LEU A 61 -0.670 -4.269 -3.458 1.00 0.00 C
486
+ ATOM 485 CD2 LEU A 61 -2.741 -4.041 -4.857 1.00 0.00 C
487
+ ATOM 486 N ARG A 62 -1.635 -8.724 -7.291 1.00 0.00 N
488
+ ATOM 487 CA ARG A 62 -0.968 -9.470 -8.353 1.00 0.00 C
489
+ ATOM 488 C ARG A 62 -1.302 -8.891 -9.723 1.00 0.00 C
490
+ ATOM 489 CB ARG A 62 -1.359 -10.949 -8.299 1.00 0.00 C
491
+ ATOM 490 O ARG A 62 -2.474 -8.793 -10.093 1.00 0.00 O
492
+ ATOM 491 CG ARG A 62 -0.587 -11.826 -9.271 1.00 0.00 C
493
+ ATOM 492 CD ARG A 62 -0.937 -13.298 -9.104 1.00 0.00 C
494
+ ATOM 493 NE ARG A 62 -0.030 -14.157 -9.858 1.00 0.00 N
495
+ ATOM 494 NH1 ARG A 62 -1.113 -16.125 -9.318 1.00 0.00 N
496
+ ATOM 495 NH2 ARG A 62 0.748 -16.165 -10.657 1.00 0.00 N
497
+ ATOM 496 CZ ARG A 62 -0.134 -15.480 -9.942 1.00 0.00 C
498
+ ATOM 497 N GLY A 63 -0.187 -8.494 -10.488 1.00 0.00 N
499
+ ATOM 498 CA GLY A 63 -0.379 -7.967 -11.830 1.00 0.00 C
500
+ ATOM 499 C GLY A 63 -0.714 -6.487 -11.848 1.00 0.00 C
501
+ ATOM 500 O GLY A 63 -0.973 -5.917 -12.910 1.00 0.00 O
502
+ ATOM 501 N CYS A 64 -0.805 -5.915 -10.646 1.00 0.00 N
503
+ ATOM 502 CA CYS A 64 -1.105 -4.487 -10.611 1.00 0.00 C
504
+ ATOM 503 C CYS A 64 0.102 -3.665 -11.045 1.00 0.00 C
505
+ ATOM 504 CB CYS A 64 -1.543 -4.066 -9.208 1.00 0.00 C
506
+ ATOM 505 O CYS A 64 1.236 -4.145 -10.994 1.00 0.00 O
507
+ ATOM 506 SG CYS A 64 -0.169 -3.785 -8.071 1.00 0.00 S
508
+ ATOM 507 N GLU A 65 -0.082 -2.477 -11.593 1.00 0.00 N
509
+ ATOM 508 CA GLU A 65 0.980 -1.503 -11.824 1.00 0.00 C
510
+ ATOM 509 C GLU A 65 1.207 -0.633 -10.592 1.00 0.00 C
511
+ ATOM 510 CB GLU A 65 0.652 -0.626 -13.035 1.00 0.00 C
512
+ ATOM 511 O GLU A 65 0.255 -0.108 -10.012 1.00 0.00 O
513
+ ATOM 512 CG GLU A 65 0.594 -1.390 -14.350 1.00 0.00 C
514
+ ATOM 513 CD GLU A 65 0.310 -0.499 -15.550 1.00 0.00 C
515
+ ATOM 514 OE1 GLU A 65 0.271 0.742 -15.389 1.00 0.00 O
516
+ ATOM 515 OE2 GLU A 65 0.124 -1.047 -16.659 1.00 0.00 O
517
+ ATOM 516 N VAL A 66 2.416 -0.525 -10.179 1.00 0.00 N
518
+ ATOM 517 CA VAL A 66 2.800 0.254 -9.006 1.00 0.00 C
519
+ ATOM 518 C VAL A 66 3.646 1.451 -9.435 1.00 0.00 C
520
+ ATOM 519 CB VAL A 66 3.574 -0.606 -7.982 1.00 0.00 C
521
+ ATOM 520 O VAL A 66 4.721 1.283 -10.017 1.00 0.00 O
522
+ ATOM 521 CG1 VAL A 66 3.866 0.196 -6.715 1.00 0.00 C
523
+ ATOM 522 CG2 VAL A 66 2.788 -1.872 -7.647 1.00 0.00 C
524
+ ATOM 523 N THR A 67 3.203 2.660 -9.211 1.00 0.00 N
525
+ ATOM 524 CA THR A 67 3.903 3.876 -9.611 1.00 0.00 C
526
+ ATOM 525 C THR A 67 4.192 4.757 -8.398 1.00 0.00 C
527
+ ATOM 526 CB THR A 67 3.090 4.673 -10.646 1.00 0.00 C
528
+ ATOM 527 O THR A 67 3.281 5.098 -7.641 1.00 0.00 O
529
+ ATOM 528 CG2 THR A 67 3.891 5.855 -11.183 1.00 0.00 C
530
+ ATOM 529 OG1 THR A 67 2.740 3.812 -11.736 1.00 0.00 O
531
+ ATOM 530 N PRO A 68 5.435 4.996 -8.209 1.00 0.00 N
532
+ ATOM 531 CA PRO A 68 5.751 5.933 -7.127 1.00 0.00 C
533
+ ATOM 532 C PRO A 68 5.302 7.360 -7.434 1.00 0.00 C
534
+ ATOM 533 CB PRO A 68 7.276 5.851 -7.024 1.00 0.00 C
535
+ ATOM 534 O PRO A 68 5.421 7.818 -8.573 1.00 0.00 O
536
+ ATOM 535 CG PRO A 68 7.729 5.432 -8.386 1.00 0.00 C
537
+ ATOM 536 CD PRO A 68 6.646 4.603 -9.015 1.00 0.00 C
538
+ ATOM 537 N ASP A 69 4.766 7.959 -6.562 1.00 0.00 N
539
+ ATOM 538 CA ASP A 69 4.471 9.388 -6.586 1.00 0.00 C
540
+ ATOM 539 C ASP A 69 4.946 10.070 -5.304 1.00 0.00 C
541
+ ATOM 540 CB ASP A 69 2.972 9.624 -6.783 1.00 0.00 C
542
+ ATOM 541 O ASP A 69 4.195 10.166 -4.331 1.00 0.00 O
543
+ ATOM 542 CG ASP A 69 2.620 11.090 -6.965 1.00 0.00 C
544
+ ATOM 543 OD1 ASP A 69 3.431 11.843 -7.548 1.00 0.00 O
545
+ ATOM 544 OD2 ASP A 69 1.525 11.496 -6.519 1.00 0.00 O
546
+ ATOM 545 N VAL A 70 6.190 10.473 -5.329 1.00 0.00 N
547
+ ATOM 546 CA VAL A 70 6.824 11.014 -4.131 1.00 0.00 C
548
+ ATOM 547 C VAL A 70 7.179 12.482 -4.353 1.00 0.00 C
549
+ ATOM 548 CB VAL A 70 8.088 10.213 -3.746 1.00 0.00 C
550
+ ATOM 549 O VAL A 70 7.736 12.844 -5.392 1.00 0.00 O
551
+ ATOM 550 CG1 VAL A 70 8.754 10.816 -2.511 1.00 0.00 C
552
+ ATOM 551 CG2 VAL A 70 7.737 8.746 -3.504 1.00 0.00 C
553
+ ATOM 552 N ASN A 71 6.666 13.291 -3.562 1.00 0.00 N
554
+ ATOM 553 CA ASN A 71 7.107 14.675 -3.431 1.00 0.00 C
555
+ ATOM 554 C ASN A 71 7.658 14.960 -2.037 1.00 0.00 C
556
+ ATOM 555 CB ASN A 71 5.962 15.636 -3.756 1.00 0.00 C
557
+ ATOM 556 O ASN A 71 6.894 15.163 -1.093 1.00 0.00 O
558
+ ATOM 557 CG ASN A 71 6.403 17.086 -3.775 1.00 0.00 C
559
+ ATOM 558 ND2 ASN A 71 5.549 17.959 -4.297 1.00 0.00 N
560
+ ATOM 559 OD1 ASN A 71 7.502 17.419 -3.325 1.00 0.00 O
561
+ ATOM 560 N ILE A 72 8.958 14.958 -1.845 1.00 0.00 N
562
+ ATOM 561 CA ILE A 72 9.612 15.014 -0.542 1.00 0.00 C
563
+ ATOM 562 C ILE A 72 9.423 16.400 0.070 1.00 0.00 C
564
+ ATOM 563 CB ILE A 72 11.117 14.678 -0.651 1.00 0.00 C
565
+ ATOM 564 O ILE A 72 9.170 16.524 1.272 1.00 0.00 O
566
+ ATOM 565 CG1 ILE A 72 11.308 13.235 -1.134 1.00 0.00 C
567
+ ATOM 566 CG2 ILE A 72 11.818 14.904 0.691 1.00 0.00 C
568
+ ATOM 567 CD1 ILE A 72 12.760 12.854 -1.386 1.00 0.00 C
569
+ ATOM 568 N SER A 73 9.671 17.473 -0.718 1.00 0.00 N
570
+ ATOM 569 CA SER A 73 9.488 18.830 -0.217 1.00 0.00 C
571
+ ATOM 570 C SER A 73 8.073 19.035 0.317 1.00 0.00 C
572
+ ATOM 571 CB SER A 73 9.779 19.852 -1.317 1.00 0.00 C
573
+ ATOM 572 O SER A 73 7.876 19.723 1.321 1.00 0.00 O
574
+ ATOM 573 OG SER A 73 8.817 19.763 -2.354 1.00 0.00 O
575
+ ATOM 574 N GLY A 74 7.171 18.325 -0.376 1.00 0.00 N
576
+ ATOM 575 CA GLY A 74 5.789 18.454 0.054 1.00 0.00 C
577
+ ATOM 576 C GLY A 74 5.372 17.386 1.049 1.00 0.00 C
578
+ ATOM 577 O GLY A 74 4.197 17.294 1.411 1.00 0.00 O
579
+ ATOM 578 N GLN A 75 6.349 16.558 1.459 1.00 0.00 N
580
+ ATOM 579 CA GLN A 75 6.106 15.463 2.391 1.00 0.00 C
581
+ ATOM 580 C GLN A 75 4.977 14.561 1.899 1.00 0.00 C
582
+ ATOM 581 CB GLN A 75 5.776 16.004 3.783 1.00 0.00 C
583
+ ATOM 582 O GLN A 75 4.093 14.185 2.671 1.00 0.00 O
584
+ ATOM 583 CG GLN A 75 6.936 16.728 4.452 1.00 0.00 C
585
+ ATOM 584 CD GLN A 75 7.953 15.777 5.055 1.00 0.00 C
586
+ ATOM 585 NE2 GLN A 75 9.216 16.191 5.071 1.00 0.00 N
587
+ ATOM 586 OE1 GLN A 75 7.606 14.679 5.504 1.00 0.00 O
588
+ ATOM 587 N LYS A 76 4.903 14.432 0.628 1.00 0.00 N
589
+ ATOM 588 CA LYS A 76 3.905 13.552 0.027 1.00 0.00 C
590
+ ATOM 589 C LYS A 76 4.523 12.221 -0.390 1.00 0.00 C
591
+ ATOM 590 CB LYS A 76 3.251 14.227 -1.180 1.00 0.00 C
592
+ ATOM 591 O LYS A 76 5.434 12.187 -1.221 1.00 0.00 O
593
+ ATOM 592 CG LYS A 76 2.420 15.453 -0.829 1.00 0.00 C
594
+ ATOM 593 CD LYS A 76 1.735 16.034 -2.059 1.00 0.00 C
595
+ ATOM 594 CE LYS A 76 0.936 17.284 -1.716 1.00 0.00 C
596
+ ATOM 595 NZ LYS A 76 0.313 17.893 -2.930 1.00 0.00 N
597
+ ATOM 596 N PHE A 77 4.125 11.195 0.166 1.00 0.00 N
598
+ ATOM 597 CA PHE A 77 4.581 9.833 -0.088 1.00 0.00 C
599
+ ATOM 598 C PHE A 77 3.437 8.967 -0.602 1.00 0.00 C
600
+ ATOM 599 CB PHE A 77 5.175 9.218 1.182 1.00 0.00 C
601
+ ATOM 600 O PHE A 77 2.792 8.257 0.172 1.00 0.00 O
602
+ ATOM 601 CG PHE A 77 6.307 10.016 1.772 1.00 0.00 C
603
+ ATOM 602 CD1 PHE A 77 7.582 9.948 1.225 1.00 0.00 C
604
+ ATOM 603 CD2 PHE A 77 6.095 10.835 2.873 1.00 0.00 C
605
+ ATOM 604 CE1 PHE A 77 8.631 10.686 1.768 1.00 0.00 C
606
+ ATOM 605 CE2 PHE A 77 7.138 11.575 3.421 1.00 0.00 C
607
+ ATOM 606 CZ PHE A 77 8.406 11.499 2.868 1.00 0.00 C
608
+ ATOM 607 N ASN A 78 3.243 9.071 -1.882 1.00 0.00 N
609
+ ATOM 608 CA ASN A 78 2.104 8.400 -2.500 1.00 0.00 C
610
+ ATOM 609 C ASN A 78 2.542 7.183 -3.309 1.00 0.00 C
611
+ ATOM 610 CB ASN A 78 1.322 9.373 -3.385 1.00 0.00 C
612
+ ATOM 611 O ASN A 78 3.615 7.188 -3.915 1.00 0.00 O
613
+ ATOM 612 CG ASN A 78 0.734 10.531 -2.602 1.00 0.00 C
614
+ ATOM 613 ND2 ASN A 78 0.851 11.736 -3.147 1.00 0.00 N
615
+ ATOM 614 OD1 ASN A 78 0.181 10.344 -1.515 1.00 0.00 O
616
+ ATOM 615 N ILE A 79 1.723 6.190 -3.265 1.00 0.00 N
617
+ ATOM 616 CA ILE A 79 1.827 5.018 -4.127 1.00 0.00 C
618
+ ATOM 617 C ILE A 79 0.572 4.897 -4.987 1.00 0.00 C
619
+ ATOM 618 CB ILE A 79 2.041 3.727 -3.305 1.00 0.00 C
620
+ ATOM 619 O ILE A 79 -0.535 4.751 -4.463 1.00 0.00 O
621
+ ATOM 620 CG1 ILE A 79 3.244 3.884 -2.368 1.00 0.00 C
622
+ ATOM 621 CG2 ILE A 79 2.220 2.520 -4.230 1.00 0.00 C
623
+ ATOM 622 CD1 ILE A 79 3.370 2.775 -1.332 1.00 0.00 C
624
+ ATOM 623 N LYS A 80 0.753 5.067 -6.253 1.00 0.00 N
625
+ ATOM 624 CA LYS A 80 -0.355 4.865 -7.183 1.00 0.00 C
626
+ ATOM 625 C LYS A 80 -0.421 3.414 -7.652 1.00 0.00 C
627
+ ATOM 626 CB LYS A 80 -0.221 5.800 -8.387 1.00 0.00 C
628
+ ATOM 627 O LYS A 80 0.563 2.876 -8.164 1.00 0.00 O
629
+ ATOM 628 CG LYS A 80 -1.369 5.696 -9.380 1.00 0.00 C
630
+ ATOM 629 CD LYS A 80 -1.155 6.610 -10.579 1.00 0.00 C
631
+ ATOM 630 CE LYS A 80 -2.255 6.440 -11.618 1.00 0.00 C
632
+ ATOM 631 NZ LYS A 80 -2.100 7.399 -12.752 1.00 0.00 N
633
+ ATOM 632 N LEU A 81 -1.589 2.802 -7.504 1.00 0.00 N
634
+ ATOM 633 CA LEU A 81 -1.832 1.418 -7.897 1.00 0.00 C
635
+ ATOM 634 C LEU A 81 -2.893 1.340 -8.988 1.00 0.00 C
636
+ ATOM 635 CB LEU A 81 -2.264 0.585 -6.687 1.00 0.00 C
637
+ ATOM 636 O LEU A 81 -3.968 1.930 -8.858 1.00 0.00 O
638
+ ATOM 637 CG LEU A 81 -1.315 0.588 -5.488 1.00 0.00 C
639
+ ATOM 638 CD1 LEU A 81 -1.983 -0.064 -4.282 1.00 0.00 C
640
+ ATOM 639 CD2 LEU A 81 -0.013 -0.126 -5.834 1.00 0.00 C
641
+ ATOM 640 N LEU A 82 -2.582 0.732 -10.048 1.00 0.00 N
642
+ ATOM 641 CA LEU A 82 -3.560 0.361 -11.065 1.00 0.00 C
643
+ ATOM 642 C LEU A 82 -3.814 -1.143 -11.052 1.00 0.00 C
644
+ ATOM 643 CB LEU A 82 -3.083 0.797 -12.453 1.00 0.00 C
645
+ ATOM 644 O LEU A 82 -2.975 -1.923 -11.507 1.00 0.00 O
646
+ ATOM 645 CG LEU A 82 -2.873 2.298 -12.658 1.00 0.00 C
647
+ ATOM 646 CD1 LEU A 82 -2.375 2.575 -14.071 1.00 0.00 C
648
+ ATOM 647 CD2 LEU A 82 -4.165 3.059 -12.382 1.00 0.00 C
649
+ ATOM 648 N ILE A 83 -4.976 -1.496 -10.504 1.00 0.00 N
650
+ ATOM 649 CA ILE A 83 -5.301 -2.888 -10.216 1.00 0.00 C
651
+ ATOM 650 C ILE A 83 -6.242 -3.431 -11.289 1.00 0.00 C
652
+ ATOM 651 CB ILE A 83 -5.939 -3.041 -8.817 1.00 0.00 C
653
+ ATOM 652 O ILE A 83 -7.346 -2.913 -11.476 1.00 0.00 O
654
+ ATOM 653 CG1 ILE A 83 -5.017 -2.453 -7.742 1.00 0.00 C
655
+ ATOM 654 CG2 ILE A 83 -6.253 -4.512 -8.524 1.00 0.00 C
656
+ ATOM 655 CD1 ILE A 83 -5.697 -2.227 -6.399 1.00 0.00 C
657
+ ATOM 656 N PRO A 84 -5.765 -4.457 -11.981 1.00 0.00 N
658
+ ATOM 657 CA PRO A 84 -6.687 -5.040 -12.957 1.00 0.00 C
659
+ ATOM 658 C PRO A 84 -7.919 -5.665 -12.305 1.00 0.00 C
660
+ ATOM 659 CB PRO A 84 -5.838 -6.105 -13.653 1.00 0.00 C
661
+ ATOM 660 O PRO A 84 -7.799 -6.370 -11.300 1.00 0.00 O
662
+ ATOM 661 CG PRO A 84 -4.708 -6.369 -12.711 1.00 0.00 C
663
+ ATOM 662 CD PRO A 84 -4.550 -5.178 -11.810 1.00 0.00 C
664
+ ATOM 663 N VAL A 85 -9.036 -5.349 -12.787 1.00 0.00 N
665
+ ATOM 664 CA VAL A 85 -10.306 -5.941 -12.381 1.00 0.00 C
666
+ ATOM 665 C VAL A 85 -11.097 -6.367 -13.616 1.00 0.00 C
667
+ ATOM 666 CB VAL A 85 -11.141 -4.963 -11.525 1.00 0.00 C
668
+ ATOM 667 O VAL A 85 -10.712 -6.053 -14.745 1.00 0.00 O
669
+ ATOM 668 CG1 VAL A 85 -10.437 -4.664 -10.203 1.00 0.00 C
670
+ ATOM 669 CG2 VAL A 85 -11.405 -3.671 -12.297 1.00 0.00 C
671
+ ATOM 670 N ALA A 86 -12.147 -7.207 -13.438 1.00 0.00 N
672
+ ATOM 671 CA ALA A 86 -12.913 -7.740 -14.563 1.00 0.00 C
673
+ ATOM 672 C ALA A 86 -13.361 -6.621 -15.499 1.00 0.00 C
674
+ ATOM 673 CB ALA A 86 -14.123 -8.523 -14.059 1.00 0.00 C
675
+ ATOM 674 O ALA A 86 -13.343 -6.783 -16.722 1.00 0.00 O
676
+ ATOM 675 N GLU A 87 -13.699 -5.491 -15.035 1.00 0.00 N
677
+ ATOM 676 CA GLU A 87 -14.296 -4.409 -15.811 1.00 0.00 C
678
+ ATOM 677 C GLU A 87 -13.236 -3.415 -16.279 1.00 0.00 C
679
+ ATOM 678 CB GLU A 87 -15.369 -3.686 -14.991 1.00 0.00 C
680
+ ATOM 679 O GLU A 87 -13.553 -2.433 -16.955 1.00 0.00 O
681
+ ATOM 680 CG GLU A 87 -16.561 -4.561 -14.631 1.00 0.00 C
682
+ ATOM 681 CD GLU A 87 -17.585 -3.851 -13.761 1.00 0.00 C
683
+ ATOM 682 OE1 GLU A 87 -17.390 -2.654 -13.447 1.00 0.00 O
684
+ ATOM 683 OE2 GLU A 87 -18.591 -4.496 -13.388 1.00 0.00 O
685
+ ATOM 684 N GLY A 88 -12.026 -3.687 -16.084 1.00 0.00 N
686
+ ATOM 685 CA GLY A 88 -10.986 -2.744 -16.463 1.00 0.00 C
687
+ ATOM 686 C GLY A 88 -9.908 -2.589 -15.407 1.00 0.00 C
688
+ ATOM 687 O GLY A 88 -9.402 -3.580 -14.877 1.00 0.00 O
689
+ ATOM 688 N MET A 89 -9.530 -1.390 -15.179 1.00 0.00 N
690
+ ATOM 689 CA MET A 89 -8.503 -1.090 -14.185 1.00 0.00 C
691
+ ATOM 690 C MET A 89 -9.067 -0.222 -13.065 1.00 0.00 C
692
+ ATOM 691 CB MET A 89 -7.309 -0.391 -14.837 1.00 0.00 C
693
+ ATOM 692 O MET A 89 -9.848 0.697 -13.319 1.00 0.00 O
694
+ ATOM 693 CG MET A 89 -6.624 -1.222 -15.910 1.00 0.00 C
695
+ ATOM 694 SD MET A 89 -5.725 -2.664 -15.216 1.00 0.00 S
696
+ ATOM 695 CE MET A 89 -4.150 -1.876 -14.777 1.00 0.00 C
697
+ ATOM 696 N ASN A 90 -8.761 -0.607 -11.978 1.00 0.00 N
698
+ ATOM 697 CA ASN A 90 -9.070 0.210 -10.809 1.00 0.00 C
699
+ ATOM 698 C ASN A 90 -7.840 0.963 -10.310 1.00 0.00 C
700
+ ATOM 699 CB ASN A 90 -9.653 -0.655 -9.689 1.00 0.00 C
701
+ ATOM 700 O ASN A 90 -6.785 0.363 -10.094 1.00 0.00 O
702
+ ATOM 701 CG ASN A 90 -11.121 -0.969 -9.900 1.00 0.00 C
703
+ ATOM 702 ND2 ASN A 90 -11.696 -1.752 -8.993 1.00 0.00 N
704
+ ATOM 703 OD1 ASN A 90 -11.734 -0.513 -10.868 1.00 0.00 O
705
+ ATOM 704 N GLU A 91 -8.007 2.247 -10.182 1.00 0.00 N
706
+ ATOM 705 CA GLU A 91 -6.912 3.085 -9.702 1.00 0.00 C
707
+ ATOM 706 C GLU A 91 -7.103 3.455 -8.233 1.00 0.00 C
708
+ ATOM 707 CB GLU A 91 -6.792 4.352 -10.552 1.00 0.00 C
709
+ ATOM 708 O GLU A 91 -8.174 3.921 -7.840 1.00 0.00 O
710
+ ATOM 709 CG GLU A 91 -5.658 5.273 -10.127 1.00 0.00 C
711
+ ATOM 710 CD GLU A 91 -5.467 6.460 -11.058 1.00 0.00 C
712
+ ATOM 711 OE1 GLU A 91 -6.005 6.437 -12.188 1.00 0.00 O
713
+ ATOM 712 OE2 GLU A 91 -4.773 7.420 -10.653 1.00 0.00 O
714
+ ATOM 713 N ILE A 92 -6.100 3.202 -7.447 1.00 0.00 N
715
+ ATOM 714 CA ILE A 92 -6.098 3.514 -6.021 1.00 0.00 C
716
+ ATOM 715 C ILE A 92 -4.779 4.183 -5.642 1.00 0.00 C
717
+ ATOM 716 CB ILE A 92 -6.323 2.247 -5.166 1.00 0.00 C
718
+ ATOM 717 O ILE A 92 -3.713 3.781 -6.115 1.00 0.00 O
719
+ ATOM 718 CG1 ILE A 92 -7.684 1.620 -5.485 1.00 0.00 C
720
+ ATOM 719 CG2 ILE A 92 -6.208 2.576 -3.674 1.00 0.00 C
721
+ ATOM 720 CD1 ILE A 92 -8.016 0.397 -4.642 1.00 0.00 C
722
+ ATOM 721 N TRP A 93 -4.861 5.213 -4.813 1.00 0.00 N
723
+ ATOM 722 CA TRP A 93 -3.675 5.877 -4.284 1.00 0.00 C
724
+ ATOM 723 C TRP A 93 -3.538 5.633 -2.784 1.00 0.00 C
725
+ ATOM 724 CB TRP A 93 -3.730 7.381 -4.565 1.00 0.00 C
726
+ ATOM 725 O TRP A 93 -4.498 5.804 -2.030 1.00 0.00 O
727
+ ATOM 726 CG TRP A 93 -3.683 7.729 -6.023 1.00 0.00 C
728
+ ATOM 727 CD1 TRP A 93 -4.414 7.161 -7.030 1.00 0.00 C
729
+ ATOM 728 CD2 TRP A 93 -2.858 8.724 -6.637 1.00 0.00 C
730
+ ATOM 729 CE2 TRP A 93 -3.140 8.705 -8.021 1.00 0.00 C
731
+ ATOM 730 CE3 TRP A 93 -1.906 9.631 -6.151 1.00 0.00 C
732
+ ATOM 731 NE1 TRP A 93 -4.091 7.743 -8.234 1.00 0.00 N
733
+ ATOM 732 CH2 TRP A 93 -1.578 10.437 -8.423 1.00 0.00 C
734
+ ATOM 733 CZ2 TRP A 93 -2.504 9.559 -8.924 1.00 0.00 C
735
+ ATOM 734 CZ3 TRP A 93 -1.274 10.480 -7.053 1.00 0.00 C
736
+ ATOM 735 N LEU A 94 -2.361 5.252 -2.393 1.00 0.00 N
737
+ ATOM 736 CA LEU A 94 -1.995 5.159 -0.984 1.00 0.00 C
738
+ ATOM 737 C LEU A 94 -1.067 6.302 -0.587 1.00 0.00 C
739
+ ATOM 738 CB LEU A 94 -1.321 3.815 -0.694 1.00 0.00 C
740
+ ATOM 739 O LEU A 94 -0.065 6.557 -1.259 1.00 0.00 O
741
+ ATOM 740 CG LEU A 94 -2.053 2.567 -1.192 1.00 0.00 C
742
+ ATOM 741 CD1 LEU A 94 -1.231 1.318 -0.896 1.00 0.00 C
743
+ ATOM 742 CD2 LEU A 94 -3.434 2.468 -0.555 1.00 0.00 C
744
+ ATOM 743 N ARG A 95 -1.434 7.011 0.469 1.00 0.00 N
745
+ ATOM 744 CA ARG A 95 -0.561 8.043 1.018 1.00 0.00 C
746
+ ATOM 745 C ARG A 95 -0.003 7.622 2.374 1.00 0.00 C
747
+ ATOM 746 CB ARG A 95 -1.313 9.369 1.150 1.00 0.00 C
748
+ ATOM 747 O ARG A 95 -0.758 7.430 3.330 1.00 0.00 O
749
+ ATOM 748 CG ARG A 95 -0.471 10.501 1.718 1.00 0.00 C
750
+ ATOM 749 CD ARG A 95 -1.236 11.817 1.740 1.00 0.00 C
751
+ ATOM 750 NE ARG A 95 -1.467 12.328 0.392 1.00 0.00 N
752
+ ATOM 751 NH1 ARG A 95 -2.984 13.945 1.042 1.00 0.00 N
753
+ ATOM 752 NH2 ARG A 95 -2.428 13.713 -1.170 1.00 0.00 N
754
+ ATOM 753 CZ ARG A 95 -2.293 13.327 0.091 1.00 0.00 C
755
+ ATOM 754 N CYS A 96 1.295 7.493 2.391 1.00 0.00 N
756
+ ATOM 755 CA CYS A 96 2.001 7.119 3.612 1.00 0.00 C
757
+ ATOM 756 C CYS A 96 2.466 8.355 4.373 1.00 0.00 C
758
+ ATOM 757 CB CYS A 96 3.199 6.227 3.288 1.00 0.00 C
759
+ ATOM 758 O CYS A 96 2.687 9.411 3.775 1.00 0.00 O
760
+ ATOM 759 SG CYS A 96 2.758 4.699 2.432 1.00 0.00 S
761
+ ATOM 760 N ASP A 97 2.631 8.253 5.711 1.00 0.00 N
762
+ ATOM 761 CA ASP A 97 2.877 9.395 6.584 1.00 0.00 C
763
+ ATOM 762 C ASP A 97 4.358 9.767 6.599 1.00 0.00 C
764
+ ATOM 763 CB ASP A 97 2.396 9.097 8.007 1.00 0.00 C
765
+ ATOM 764 O ASP A 97 4.719 10.891 6.955 1.00 0.00 O
766
+ ATOM 765 CG ASP A 97 0.883 9.130 8.139 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 97 0.204 9.668 7.239 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 97 0.367 8.615 9.154 1.00 0.00 O
769
+ ATOM 768 N ASN A 98 5.197 8.851 6.372 1.00 0.00 N
770
+ ATOM 769 CA ASN A 98 6.629 9.118 6.447 1.00 0.00 C
771
+ ATOM 770 C ASN A 98 7.418 8.204 5.512 1.00 0.00 C
772
+ ATOM 771 CB ASN A 98 7.129 8.965 7.886 1.00 0.00 C
773
+ ATOM 772 O ASN A 98 6.857 7.284 4.917 1.00 0.00 O
774
+ ATOM 773 CG ASN A 98 6.865 7.584 8.452 1.00 0.00 C
775
+ ATOM 774 ND2 ASN A 98 6.203 7.532 9.601 1.00 0.00 N
776
+ ATOM 775 OD1 ASN A 98 7.254 6.573 7.862 1.00 0.00 O
777
+ ATOM 776 N GLU A 99 8.686 8.414 5.384 1.00 0.00 N
778
+ ATOM 777 CA GLU A 99 9.571 7.732 4.445 1.00 0.00 C
779
+ ATOM 778 C GLU A 99 9.633 6.235 4.732 1.00 0.00 C
780
+ ATOM 779 CB GLU A 99 10.977 8.336 4.493 1.00 0.00 C
781
+ ATOM 780 O GLU A 99 9.621 5.419 3.809 1.00 0.00 O
782
+ ATOM 781 CG GLU A 99 11.049 9.769 3.986 1.00 0.00 C
783
+ ATOM 782 CD GLU A 99 12.447 10.362 4.056 1.00 0.00 C
784
+ ATOM 783 OE1 GLU A 99 13.367 9.686 4.572 1.00 0.00 O
785
+ ATOM 784 OE2 GLU A 99 12.624 11.510 3.593 1.00 0.00 O
786
+ ATOM 785 N LYS A 100 9.696 5.873 6.081 1.00 0.00 N
787
+ ATOM 786 CA LYS A 100 9.821 4.466 6.452 1.00 0.00 C
788
+ ATOM 787 C LYS A 100 8.566 3.685 6.072 1.00 0.00 C
789
+ ATOM 788 CB LYS A 100 10.090 4.327 7.950 1.00 0.00 C
790
+ ATOM 789 O LYS A 100 8.655 2.604 5.486 1.00 0.00 O
791
+ ATOM 790 CG LYS A 100 10.390 2.903 8.396 1.00 0.00 C
792
+ ATOM 791 CD LYS A 100 10.720 2.840 9.881 1.00 0.00 C
793
+ ATOM 792 CE LYS A 100 10.974 1.410 10.338 1.00 0.00 C
794
+ ATOM 793 NZ LYS A 100 11.301 1.343 11.794 1.00 0.00 N
795
+ ATOM 794 N GLN A 101 7.436 4.257 6.419 1.00 0.00 N
796
+ ATOM 795 CA GLN A 101 6.170 3.645 6.028 1.00 0.00 C
797
+ ATOM 796 C GLN A 101 6.078 3.492 4.512 1.00 0.00 C
798
+ ATOM 797 CB GLN A 101 4.992 4.471 6.546 1.00 0.00 C
799
+ ATOM 798 O GLN A 101 5.735 2.420 4.011 1.00 0.00 O
800
+ ATOM 799 CG GLN A 101 3.633 3.833 6.287 1.00 0.00 C
801
+ ATOM 800 CD GLN A 101 2.478 4.713 6.728 1.00 0.00 C
802
+ ATOM 801 NE2 GLN A 101 1.696 4.227 7.686 1.00 0.00 N
803
+ ATOM 802 OE1 GLN A 101 2.292 5.819 6.213 1.00 0.00 O
804
+ ATOM 803 N TYR A 102 6.433 4.548 3.801 1.00 0.00 N
805
+ ATOM 804 CA TYR A 102 6.404 4.528 2.343 1.00 0.00 C
806
+ ATOM 805 C TYR A 102 7.296 3.421 1.794 1.00 0.00 C
807
+ ATOM 806 CB TYR A 102 6.846 5.882 1.778 1.00 0.00 C
808
+ ATOM 807 O TYR A 102 6.886 2.665 0.910 1.00 0.00 O
809
+ ATOM 808 CG TYR A 102 7.022 5.885 0.278 1.00 0.00 C
810
+ ATOM 809 CD1 TYR A 102 5.920 5.928 -0.571 1.00 0.00 C
811
+ ATOM 810 CD2 TYR A 102 8.290 5.845 -0.291 1.00 0.00 C
812
+ ATOM 811 CE1 TYR A 102 6.077 5.930 -1.954 1.00 0.00 C
813
+ ATOM 812 CE2 TYR A 102 8.459 5.846 -1.671 1.00 0.00 C
814
+ ATOM 813 OH TYR A 102 7.511 5.891 -3.861 1.00 0.00 O
815
+ ATOM 814 CZ TYR A 102 7.349 5.889 -2.493 1.00 0.00 C
816
+ ATOM 815 N ALA A 103 8.548 3.341 2.303 1.00 0.00 N
817
+ ATOM 816 CA ALA A 103 9.496 2.353 1.795 1.00 0.00 C
818
+ ATOM 817 C ALA A 103 8.957 0.936 1.969 1.00 0.00 C
819
+ ATOM 818 CB ALA A 103 10.843 2.497 2.499 1.00 0.00 C
820
+ ATOM 819 O ALA A 103 9.031 0.120 1.047 1.00 0.00 O
821
+ ATOM 820 N HIS A 104 8.374 0.630 3.139 1.00 0.00 N
822
+ ATOM 821 CA HIS A 104 7.861 -0.707 3.416 1.00 0.00 C
823
+ ATOM 822 C HIS A 104 6.658 -1.028 2.537 1.00 0.00 C
824
+ ATOM 823 CB HIS A 104 7.483 -0.841 4.892 1.00 0.00 C
825
+ ATOM 824 O HIS A 104 6.565 -2.124 1.978 1.00 0.00 O
826
+ ATOM 825 CG HIS A 104 8.649 -1.117 5.788 1.00 0.00 C
827
+ ATOM 826 CD2 HIS A 104 9.329 -0.310 6.635 1.00 0.00 C
828
+ ATOM 827 ND1 HIS A 104 9.244 -2.357 5.872 1.00 0.00 N
829
+ ATOM 828 CE1 HIS A 104 10.244 -2.300 6.737 1.00 0.00 C
830
+ ATOM 829 NE2 HIS A 104 10.317 -1.069 7.213 1.00 0.00 N
831
+ ATOM 830 N TRP A 105 5.763 -0.097 2.426 1.00 0.00 N
832
+ ATOM 831 CA TRP A 105 4.549 -0.341 1.654 1.00 0.00 C
833
+ ATOM 832 C TRP A 105 4.855 -0.398 0.161 1.00 0.00 C
834
+ ATOM 833 CB TRP A 105 3.506 0.744 1.932 1.00 0.00 C
835
+ ATOM 834 O TRP A 105 4.303 -1.232 -0.561 1.00 0.00 O
836
+ ATOM 835 CG TRP A 105 2.701 0.511 3.176 1.00 0.00 C
837
+ ATOM 836 CD1 TRP A 105 3.077 0.779 4.463 1.00 0.00 C
838
+ ATOM 837 CD2 TRP A 105 1.383 -0.042 3.249 1.00 0.00 C
839
+ ATOM 838 CE2 TRP A 105 1.023 -0.081 4.614 1.00 0.00 C
840
+ ATOM 839 CE3 TRP A 105 0.473 -0.510 2.293 1.00 0.00 C
841
+ ATOM 840 NE1 TRP A 105 2.071 0.425 5.332 1.00 0.00 N
842
+ ATOM 841 CH2 TRP A 105 -1.086 -1.020 4.088 1.00 0.00 C
843
+ ATOM 842 CZ2 TRP A 105 -0.214 -0.569 5.045 1.00 0.00 C
844
+ ATOM 843 CZ3 TRP A 105 -0.756 -0.995 2.724 1.00 0.00 C
845
+ ATOM 844 N MET A 106 5.773 0.490 -0.330 1.00 0.00 N
846
+ ATOM 845 CA MET A 106 6.181 0.464 -1.732 1.00 0.00 C
847
+ ATOM 846 C MET A 106 6.845 -0.865 -2.081 1.00 0.00 C
848
+ ATOM 847 CB MET A 106 7.135 1.620 -2.036 1.00 0.00 C
849
+ ATOM 848 O MET A 106 6.544 -1.461 -3.116 1.00 0.00 O
850
+ ATOM 849 CG MET A 106 7.665 1.619 -3.461 1.00 0.00 C
851
+ ATOM 850 SD MET A 106 6.332 1.822 -4.707 1.00 0.00 S
852
+ ATOM 851 CE MET A 106 6.115 3.623 -4.651 1.00 0.00 C
853
+ ATOM 852 N ALA A 107 7.765 -1.331 -1.205 1.00 0.00 N
854
+ ATOM 853 CA ALA A 107 8.424 -2.615 -1.428 1.00 0.00 C
855
+ ATOM 854 C ALA A 107 7.409 -3.755 -1.460 1.00 0.00 C
856
+ ATOM 855 CB ALA A 107 9.472 -2.870 -0.346 1.00 0.00 C
857
+ ATOM 856 O ALA A 107 7.475 -4.628 -2.327 1.00 0.00 O
858
+ ATOM 857 N ALA A 108 6.462 -3.752 -0.550 1.00 0.00 N
859
+ ATOM 858 CA ALA A 108 5.429 -4.784 -0.494 1.00 0.00 C
860
+ ATOM 859 C ALA A 108 4.568 -4.767 -1.754 1.00 0.00 C
861
+ ATOM 860 CB ALA A 108 4.559 -4.601 0.746 1.00 0.00 C
862
+ ATOM 861 O ALA A 108 4.269 -5.819 -2.324 1.00 0.00 O
863
+ ATOM 862 N CYS A 109 4.150 -3.588 -2.223 1.00 0.00 N
864
+ ATOM 863 CA CYS A 109 3.323 -3.462 -3.419 1.00 0.00 C
865
+ ATOM 864 C CYS A 109 4.065 -3.966 -4.651 1.00 0.00 C
866
+ ATOM 865 CB CYS A 109 2.899 -2.009 -3.626 1.00 0.00 C
867
+ ATOM 866 O CYS A 109 3.491 -4.675 -5.479 1.00 0.00 O
868
+ ATOM 867 SG CYS A 109 1.681 -1.427 -2.425 1.00 0.00 S
869
+ ATOM 868 N ARG A 110 5.338 -3.629 -4.770 1.00 0.00 N
870
+ ATOM 869 CA ARG A 110 6.126 -4.059 -5.920 1.00 0.00 C
871
+ ATOM 870 C ARG A 110 6.267 -5.577 -5.949 1.00 0.00 C
872
+ ATOM 871 CB ARG A 110 7.508 -3.404 -5.901 1.00 0.00 C
873
+ ATOM 872 O ARG A 110 6.097 -6.202 -6.998 1.00 0.00 O
874
+ ATOM 873 CG ARG A 110 7.498 -1.931 -6.276 1.00 0.00 C
875
+ ATOM 874 CD ARG A 110 8.890 -1.320 -6.203 1.00 0.00 C
876
+ ATOM 875 NE ARG A 110 8.904 0.051 -6.706 1.00 0.00 N
877
+ ATOM 876 NH1 ARG A 110 11.064 0.499 -6.019 1.00 0.00 N
878
+ ATOM 877 NH2 ARG A 110 9.841 2.110 -7.099 1.00 0.00 N
879
+ ATOM 878 CZ ARG A 110 9.936 0.884 -6.606 1.00 0.00 C
880
+ ATOM 879 N LEU A 111 6.582 -6.124 -4.787 1.00 0.00 N
881
+ ATOM 880 CA LEU A 111 6.702 -7.578 -4.738 1.00 0.00 C
882
+ ATOM 881 C LEU A 111 5.369 -8.244 -5.063 1.00 0.00 C
883
+ ATOM 882 CB LEU A 111 7.188 -8.029 -3.357 1.00 0.00 C
884
+ ATOM 883 O LEU A 111 5.322 -9.197 -5.845 1.00 0.00 O
885
+ ATOM 884 CG LEU A 111 8.661 -7.768 -3.038 1.00 0.00 C
886
+ ATOM 885 CD1 LEU A 111 8.961 -8.133 -1.588 1.00 0.00 C
887
+ ATOM 886 CD2 LEU A 111 9.561 -8.547 -3.989 1.00 0.00 C
888
+ ATOM 887 N ALA A 112 4.262 -7.711 -4.476 1.00 0.00 N
889
+ ATOM 888 CA ALA A 112 2.930 -8.276 -4.675 1.00 0.00 C
890
+ ATOM 889 C ALA A 112 2.512 -8.193 -6.140 1.00 0.00 C
891
+ ATOM 890 CB ALA A 112 1.912 -7.559 -3.792 1.00 0.00 C
892
+ ATOM 891 O ALA A 112 1.853 -9.099 -6.655 1.00 0.00 O
893
+ ATOM 892 N SER A 113 2.868 -7.075 -6.826 1.00 0.00 N
894
+ ATOM 893 CA SER A 113 2.531 -6.922 -8.237 1.00 0.00 C
895
+ ATOM 894 C SER A 113 3.133 -8.047 -9.073 1.00 0.00 C
896
+ ATOM 895 CB SER A 113 3.016 -5.570 -8.762 1.00 0.00 C
897
+ ATOM 896 O SER A 113 2.595 -8.403 -10.124 1.00 0.00 O
898
+ ATOM 897 OG SER A 113 4.399 -5.615 -9.065 1.00 0.00 O
899
+ ATOM 898 N LYS A 114 4.234 -8.646 -8.557 1.00 0.00 N
900
+ ATOM 899 CA LYS A 114 4.928 -9.721 -9.260 1.00 0.00 C
901
+ ATOM 900 C LYS A 114 4.525 -11.088 -8.711 1.00 0.00 C
902
+ ATOM 901 CB LYS A 114 6.444 -9.541 -9.154 1.00 0.00 C
903
+ ATOM 902 O LYS A 114 5.127 -12.105 -9.060 1.00 0.00 O
904
+ ATOM 903 CG LYS A 114 6.955 -8.239 -9.753 1.00 0.00 C
905
+ ATOM 904 CD LYS A 114 8.446 -8.055 -9.500 1.00 0.00 C
906
+ ATOM 905 CE LYS A 114 8.932 -6.695 -9.985 1.00 0.00 C
907
+ ATOM 906 NZ LYS A 114 10.380 -6.487 -9.689 1.00 0.00 N
908
+ ATOM 907 N GLY A 115 3.625 -11.084 -7.783 1.00 0.00 N
909
+ ATOM 908 CA GLY A 115 3.149 -12.340 -7.227 1.00 0.00 C
910
+ ATOM 909 C GLY A 115 4.011 -12.855 -6.090 1.00 0.00 C
911
+ ATOM 910 O GLY A 115 3.849 -13.994 -5.648 1.00 0.00 O
912
+ ATOM 911 N LYS A 116 4.897 -12.063 -5.640 1.00 0.00 N
913
+ ATOM 912 CA LYS A 116 5.774 -12.426 -4.531 1.00 0.00 C
914
+ ATOM 913 C LYS A 116 5.264 -11.845 -3.215 1.00 0.00 C
915
+ ATOM 914 CB LYS A 116 7.202 -11.948 -4.797 1.00 0.00 C
916
+ ATOM 915 O LYS A 116 4.477 -10.897 -3.212 1.00 0.00 O
917
+ ATOM 916 CG LYS A 116 7.845 -12.571 -6.026 1.00 0.00 C
918
+ ATOM 917 CD LYS A 116 9.264 -12.057 -6.236 1.00 0.00 C
919
+ ATOM 918 CE LYS A 116 9.905 -12.674 -7.472 1.00 0.00 C
920
+ ATOM 919 NZ LYS A 116 11.290 -12.162 -7.691 1.00 0.00 N
921
+ ATOM 920 N THR A 117 5.687 -12.463 -2.148 1.00 0.00 N
922
+ ATOM 921 CA THR A 117 5.310 -11.984 -0.822 1.00 0.00 C
923
+ ATOM 922 C THR A 117 6.505 -11.350 -0.116 1.00 0.00 C
924
+ ATOM 923 CB THR A 117 4.743 -13.125 0.043 1.00 0.00 C
925
+ ATOM 924 O THR A 117 7.632 -11.419 -0.610 1.00 0.00 O
926
+ ATOM 925 CG2 THR A 117 3.615 -13.854 -0.677 1.00 0.00 C
927
+ ATOM 926 OG1 THR A 117 5.790 -14.058 0.337 1.00 0.00 O
928
+ ATOM 927 N MET A 118 6.253 -10.768 1.046 1.00 0.00 N
929
+ ATOM 928 CA MET A 118 7.300 -10.109 1.821 1.00 0.00 C
930
+ ATOM 929 C MET A 118 8.246 -11.134 2.439 1.00 0.00 C
931
+ ATOM 930 CB MET A 118 6.689 -9.236 2.918 1.00 0.00 C
932
+ ATOM 931 O MET A 118 9.229 -10.768 3.085 1.00 0.00 O
933
+ ATOM 932 CG MET A 118 6.015 -7.977 2.395 1.00 0.00 C
934
+ ATOM 933 SD MET A 118 5.330 -6.935 3.741 1.00 0.00 S
935
+ ATOM 934 CE MET A 118 3.844 -7.888 4.159 1.00 0.00 C
936
+ ATOM 935 N ALA A 119 7.961 -12.435 2.323 1.00 0.00 N
937
+ ATOM 936 CA ALA A 119 8.884 -13.494 2.727 1.00 0.00 C
938
+ ATOM 937 C ALA A 119 10.024 -13.639 1.723 1.00 0.00 C
939
+ ATOM 938 CB ALA A 119 8.140 -14.818 2.879 1.00 0.00 C
940
+ ATOM 939 O ALA A 119 11.023 -14.306 2.001 1.00 0.00 O
941
+ ATOM 940 N ASP A 120 9.846 -12.972 0.605 1.00 0.00 N
942
+ ATOM 941 CA ASP A 120 10.897 -12.978 -0.408 1.00 0.00 C
943
+ ATOM 942 C ASP A 120 12.158 -12.287 0.105 1.00 0.00 C
944
+ ATOM 943 CB ASP A 120 10.411 -12.300 -1.691 1.00 0.00 C
945
+ ATOM 944 O ASP A 120 12.078 -11.261 0.783 1.00 0.00 O
946
+ ATOM 945 CG ASP A 120 11.351 -12.507 -2.864 1.00 0.00 C
947
+ ATOM 946 OD1 ASP A 120 12.308 -11.719 -3.027 1.00 0.00 O
948
+ ATOM 947 OD2 ASP A 120 11.133 -13.466 -3.636 1.00 0.00 O
949
+ ATOM 948 N SER A 121 13.279 -12.885 -0.259 1.00 0.00 N
950
+ ATOM 949 CA SER A 121 14.569 -12.405 0.228 1.00 0.00 C
951
+ ATOM 950 C SER A 121 14.875 -11.008 -0.303 1.00 0.00 C
952
+ ATOM 951 CB SER A 121 15.685 -13.368 -0.176 1.00 0.00 C
953
+ ATOM 952 O SER A 121 15.687 -10.283 0.276 1.00 0.00 O
954
+ ATOM 953 OG SER A 121 15.761 -13.489 -1.585 1.00 0.00 O
955
+ ATOM 954 N SER A 122 14.220 -10.512 -1.339 1.00 0.00 N
956
+ ATOM 955 CA SER A 122 14.491 -9.209 -1.936 1.00 0.00 C
957
+ ATOM 956 C SER A 122 13.752 -8.098 -1.199 1.00 0.00 C
958
+ ATOM 957 CB SER A 122 14.096 -9.204 -3.413 1.00 0.00 C
959
+ ATOM 958 O SER A 122 13.985 -6.914 -1.454 1.00 0.00 O
960
+ ATOM 959 OG SER A 122 12.700 -9.394 -3.560 1.00 0.00 O
961
+ ATOM 960 N TYR A 123 12.834 -8.459 -0.278 1.00 0.00 N
962
+ ATOM 961 CA TYR A 123 12.020 -7.438 0.372 1.00 0.00 C
963
+ ATOM 962 C TYR A 123 12.894 -6.436 1.117 1.00 0.00 C
964
+ ATOM 963 CB TYR A 123 11.024 -8.082 1.341 1.00 0.00 C
965
+ ATOM 964 O TYR A 123 12.807 -5.229 0.878 1.00 0.00 O
966
+ ATOM 965 CG TYR A 123 10.234 -7.084 2.152 1.00 0.00 C
967
+ ATOM 966 CD1 TYR A 123 9.273 -6.273 1.550 1.00 0.00 C
968
+ ATOM 967 CD2 TYR A 123 10.446 -6.948 3.519 1.00 0.00 C
969
+ ATOM 968 CE1 TYR A 123 8.544 -5.350 2.293 1.00 0.00 C
970
+ ATOM 969 CE2 TYR A 123 9.723 -6.029 4.272 1.00 0.00 C
971
+ ATOM 970 OH TYR A 123 8.057 -4.323 4.390 1.00 0.00 O
972
+ ATOM 971 CZ TYR A 123 8.775 -5.236 3.650 1.00 0.00 C
973
+ ATOM 972 N ASN A 124 13.746 -6.924 1.992 1.00 0.00 N
974
+ ATOM 973 CA ASN A 124 14.562 -6.029 2.806 1.00 0.00 C
975
+ ATOM 974 C ASN A 124 15.493 -5.180 1.945 1.00 0.00 C
976
+ ATOM 975 CB ASN A 124 15.368 -6.825 3.836 1.00 0.00 C
977
+ ATOM 976 O ASN A 124 15.732 -4.010 2.249 1.00 0.00 O
978
+ ATOM 977 CG ASN A 124 14.513 -7.337 4.977 1.00 0.00 C
979
+ ATOM 978 ND2 ASN A 124 14.880 -8.492 5.521 1.00 0.00 N
980
+ ATOM 979 OD1 ASN A 124 13.529 -6.703 5.365 1.00 0.00 O
981
+ ATOM 980 N LEU A 125 16.000 -5.787 0.888 1.00 0.00 N
982
+ ATOM 981 CA LEU A 125 16.858 -5.050 -0.033 1.00 0.00 C
983
+ ATOM 982 C LEU A 125 16.082 -3.934 -0.725 1.00 0.00 C
984
+ ATOM 983 CB LEU A 125 17.459 -5.994 -1.078 1.00 0.00 C
985
+ ATOM 984 O LEU A 125 16.582 -2.816 -0.861 1.00 0.00 O
986
+ ATOM 985 CG LEU A 125 18.413 -5.362 -2.092 1.00 0.00 C
987
+ ATOM 986 CD1 LEU A 125 19.610 -4.741 -1.380 1.00 0.00 C
988
+ ATOM 987 CD2 LEU A 125 18.870 -6.399 -3.113 1.00 0.00 C
989
+ ATOM 988 N GLU A 126 14.858 -4.196 -1.144 1.00 0.00 N
990
+ ATOM 989 CA GLU A 126 14.027 -3.186 -1.790 1.00 0.00 C
991
+ ATOM 990 C GLU A 126 13.726 -2.029 -0.841 1.00 0.00 C
992
+ ATOM 991 CB GLU A 126 12.721 -3.805 -2.294 1.00 0.00 C
993
+ ATOM 992 O GLU A 126 13.782 -0.863 -1.236 1.00 0.00 O
994
+ ATOM 993 CG GLU A 126 12.875 -4.606 -3.579 1.00 0.00 C
995
+ ATOM 994 CD GLU A 126 11.548 -4.953 -4.233 1.00 0.00 C
996
+ ATOM 995 OE1 GLU A 126 10.491 -4.493 -3.745 1.00 0.00 O
997
+ ATOM 996 OE2 GLU A 126 11.565 -5.694 -5.242 1.00 0.00 O
998
+ ATOM 997 N VAL A 127 13.427 -2.345 0.429 1.00 0.00 N
999
+ ATOM 998 CA VAL A 127 13.155 -1.317 1.427 1.00 0.00 C
1000
+ ATOM 999 C VAL A 127 14.377 -0.416 1.587 1.00 0.00 C
1001
+ ATOM 1000 CB VAL A 127 12.769 -1.936 2.789 1.00 0.00 C
1002
+ ATOM 1001 O VAL A 127 14.256 0.812 1.581 1.00 0.00 O
1003
+ ATOM 1002 CG1 VAL A 127 12.722 -0.863 3.876 1.00 0.00 C
1004
+ ATOM 1003 CG2 VAL A 127 11.425 -2.655 2.685 1.00 0.00 C
1005
+ ATOM 1004 N GLN A 128 15.535 -1.004 1.717 1.00 0.00 N
1006
+ ATOM 1005 CA GLN A 128 16.763 -0.240 1.911 1.00 0.00 C
1007
+ ATOM 1006 C GLN A 128 17.059 0.641 0.701 1.00 0.00 C
1008
+ ATOM 1007 CB GLN A 128 17.941 -1.178 2.178 1.00 0.00 C
1009
+ ATOM 1008 O GLN A 128 17.488 1.787 0.852 1.00 0.00 O
1010
+ ATOM 1009 CG GLN A 128 17.884 -1.865 3.535 1.00 0.00 C
1011
+ ATOM 1010 CD GLN A 128 17.906 -0.883 4.692 1.00 0.00 C
1012
+ ATOM 1011 NE2 GLN A 128 17.109 -1.159 5.719 1.00 0.00 N
1013
+ ATOM 1012 OE1 GLN A 128 18.635 0.113 4.664 1.00 0.00 O
1014
+ ATOM 1013 N ASN A 129 16.859 0.092 -0.550 1.00 0.00 N
1015
+ ATOM 1014 CA ASN A 129 17.068 0.863 -1.771 1.00 0.00 C
1016
+ ATOM 1015 C ASN A 129 16.160 2.088 -1.821 1.00 0.00 C
1017
+ ATOM 1016 CB ASN A 129 16.846 -0.014 -3.004 1.00 0.00 C
1018
+ ATOM 1017 O ASN A 129 16.598 3.177 -2.198 1.00 0.00 O
1019
+ ATOM 1018 CG ASN A 129 17.971 -1.005 -3.226 1.00 0.00 C
1020
+ ATOM 1019 ND2 ASN A 129 17.697 -2.050 -4.000 1.00 0.00 N
1021
+ ATOM 1020 OD1 ASN A 129 19.077 -0.836 -2.705 1.00 0.00 O
1022
+ ATOM 1021 N ILE A 130 14.917 1.917 -1.436 1.00 0.00 N
1023
+ ATOM 1022 CA ILE A 130 13.956 3.015 -1.461 1.00 0.00 C
1024
+ ATOM 1023 C ILE A 130 14.358 4.076 -0.439 1.00 0.00 C
1025
+ ATOM 1024 CB ILE A 130 12.522 2.517 -1.180 1.00 0.00 C
1026
+ ATOM 1025 O ILE A 130 14.357 5.272 -0.742 1.00 0.00 O
1027
+ ATOM 1026 CG1 ILE A 130 12.038 1.609 -2.317 1.00 0.00 C
1028
+ ATOM 1027 CG2 ILE A 130 11.569 3.699 -0.980 1.00 0.00 C
1029
+ ATOM 1028 CD1 ILE A 130 10.788 0.808 -1.982 1.00 0.00 C
1030
+ ATOM 1029 N LEU A 131 14.749 3.643 0.770 1.00 0.00 N
1031
+ ATOM 1030 CA LEU A 131 15.154 4.583 1.810 1.00 0.00 C
1032
+ ATOM 1031 C LEU A 131 16.397 5.359 1.387 1.00 0.00 C
1033
+ ATOM 1032 CB LEU A 131 15.420 3.846 3.126 1.00 0.00 C
1034
+ ATOM 1033 O LEU A 131 16.489 6.566 1.622 1.00 0.00 O
1035
+ ATOM 1034 CG LEU A 131 14.192 3.317 3.868 1.00 0.00 C
1036
+ ATOM 1035 CD1 LEU A 131 14.618 2.431 5.033 1.00 0.00 C
1037
+ ATOM 1036 CD2 LEU A 131 13.323 4.472 4.356 1.00 0.00 C
1038
+ ATOM 1037 N SER A 132 17.363 4.640 0.815 1.00 0.00 N
1039
+ ATOM 1038 CA SER A 132 18.576 5.298 0.341 1.00 0.00 C
1040
+ ATOM 1039 C SER A 132 18.259 6.336 -0.730 1.00 0.00 C
1041
+ ATOM 1040 CB SER A 132 19.564 4.270 -0.211 1.00 0.00 C
1042
+ ATOM 1041 O SER A 132 18.826 7.431 -0.728 1.00 0.00 O
1043
+ ATOM 1042 OG SER A 132 20.049 3.432 0.824 1.00 0.00 O
1044
+ ATOM 1043 N PHE A 133 17.377 5.963 -1.629 1.00 0.00 N
1045
+ ATOM 1044 CA PHE A 133 16.961 6.885 -2.679 1.00 0.00 C
1046
+ ATOM 1045 C PHE A 133 16.319 8.132 -2.082 1.00 0.00 C
1047
+ ATOM 1046 CB PHE A 133 15.984 6.201 -3.640 1.00 0.00 C
1048
+ ATOM 1047 O PHE A 133 16.603 9.251 -2.516 1.00 0.00 O
1049
+ ATOM 1048 CG PHE A 133 15.440 7.116 -4.706 1.00 0.00 C
1050
+ ATOM 1049 CD1 PHE A 133 16.214 7.460 -5.807 1.00 0.00 C
1051
+ ATOM 1050 CD2 PHE A 133 14.155 7.632 -4.604 1.00 0.00 C
1052
+ ATOM 1051 CE1 PHE A 133 15.714 8.305 -6.795 1.00 0.00 C
1053
+ ATOM 1052 CE2 PHE A 133 13.648 8.478 -5.587 1.00 0.00 C
1054
+ ATOM 1053 CZ PHE A 133 14.430 8.814 -6.681 1.00 0.00 C
1055
+ ATOM 1054 N LEU A 134 15.444 7.990 -1.141 1.00 0.00 N
1056
+ ATOM 1055 CA LEU A 134 14.762 9.116 -0.511 1.00 0.00 C
1057
+ ATOM 1056 C LEU A 134 15.756 10.011 0.224 1.00 0.00 C
1058
+ ATOM 1057 CB LEU A 134 13.690 8.618 0.462 1.00 0.00 C
1059
+ ATOM 1058 O LEU A 134 15.629 11.237 0.197 1.00 0.00 O
1060
+ ATOM 1059 CG LEU A 134 12.475 7.931 -0.162 1.00 0.00 C
1061
+ ATOM 1060 CD1 LEU A 134 11.567 7.369 0.927 1.00 0.00 C
1062
+ ATOM 1061 CD2 LEU A 134 11.709 8.905 -1.052 1.00 0.00 C
1063
+ ATOM 1062 N LYS A 135 16.712 9.427 0.839 1.00 0.00 N
1064
+ ATOM 1063 CA LYS A 135 17.728 10.196 1.550 1.00 0.00 C
1065
+ ATOM 1064 C LYS A 135 18.549 11.047 0.585 1.00 0.00 C
1066
+ ATOM 1065 CB LYS A 135 18.648 9.267 2.343 1.00 0.00 C
1067
+ ATOM 1066 O LYS A 135 18.932 12.173 0.911 1.00 0.00 O
1068
+ ATOM 1067 CG LYS A 135 19.629 9.995 3.252 1.00 0.00 C
1069
+ ATOM 1068 CD LYS A 135 20.461 9.019 4.072 1.00 0.00 C
1070
+ ATOM 1069 CE LYS A 135 21.486 9.742 4.934 1.00 0.00 C
1071
+ ATOM 1070 NZ LYS A 135 22.307 8.789 5.739 1.00 0.00 N
1072
+ ATOM 1071 N MET A 136 18.822 10.475 -0.582 1.00 0.00 N
1073
+ ATOM 1072 CA MET A 136 19.605 11.188 -1.588 1.00 0.00 C
1074
+ ATOM 1073 C MET A 136 18.822 12.373 -2.146 1.00 0.00 C
1075
+ ATOM 1074 CB MET A 136 20.009 10.247 -2.724 1.00 0.00 C
1076
+ ATOM 1075 O MET A 136 19.413 13.331 -2.647 1.00 0.00 O
1077
+ ATOM 1076 CG MET A 136 21.098 9.258 -2.340 1.00 0.00 C
1078
+ ATOM 1077 SD MET A 136 21.765 8.351 -3.790 1.00 0.00 S
1079
+ ATOM 1078 CE MET A 136 20.304 7.383 -4.261 1.00 0.00 C
1080
+ ATOM 1079 N GLN A 137 17.481 12.287 -2.127 1.00 0.00 N
1081
+ ATOM 1080 CA GLN A 137 16.645 13.368 -2.639 1.00 0.00 C
1082
+ ATOM 1081 C GLN A 137 16.631 14.555 -1.681 1.00 0.00 C
1083
+ ATOM 1082 CB GLN A 137 15.218 12.873 -2.884 1.00 0.00 C
1084
+ ATOM 1083 O GLN A 137 16.128 15.628 -2.020 1.00 0.00 O
1085
+ ATOM 1084 CG GLN A 137 15.106 11.845 -4.000 1.00 0.00 C
1086
+ ATOM 1085 CD GLN A 137 15.438 12.421 -5.364 1.00 0.00 C
1087
+ ATOM 1086 NE2 GLN A 137 16.119 11.633 -6.190 1.00 0.00 N
1088
+ ATOM 1087 OE1 GLN A 137 15.084 13.562 -5.673 1.00 0.00 O
1089
+ ATOM 1088 N HIS A 138 17.260 14.403 -0.517 1.00 0.00 N
1090
+ ATOM 1089 CA HIS A 138 17.455 15.504 0.419 1.00 0.00 C
1091
+ ATOM 1090 C HIS A 138 18.759 16.244 0.135 1.00 0.00 C
1092
+ ATOM 1091 CB HIS A 138 17.447 14.991 1.861 1.00 0.00 C
1093
+ ATOM 1092 O HIS A 138 18.837 17.462 0.314 1.00 0.00 O
1094
+ ATOM 1093 CG HIS A 138 16.112 14.488 2.310 1.00 0.00 C
1095
+ ATOM 1094 CD2 HIS A 138 15.661 13.229 2.522 1.00 0.00 C
1096
+ ATOM 1095 ND1 HIS A 138 15.057 15.328 2.593 1.00 0.00 N
1097
+ ATOM 1096 CE1 HIS A 138 14.013 14.606 2.962 1.00 0.00 C
1098
+ ATOM 1097 NE2 HIS A 138 14.353 13.329 2.928 1.00 0.00 N
1099
+ ATOM 1098 OXT HIS A 138 19.237 15.194 -0.176 1.00 0.00 O
1100
+ TER 1099 HIS A 138
1101
+ END
2lko/2lko_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ltv/2ltv_ligand.mol2 ADDED
@@ -0,0 +1,402 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:13:12 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2ltv_ligand
7
+ 190 196 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -8.2160 8.5200 -6.1740 N.4 1 SER 0.2396
14
+ 2 CA -8.9480 7.9740 -5.0120 C.3 1 SER 0.0886
15
+ 3 C -8.0440 7.9170 -3.7860 C.2 1 SER 0.2315
16
+ 4 O -6.8490 7.6660 -3.9100 O.2 1 SER -0.3904
17
+ 5 CB -9.4310 6.5620 -5.3390 C.3 1 SER 0.1041
18
+ 6 OG -10.1770 6.5370 -6.5460 O.3 1 SER -0.3870
19
+ 7 N -8.5950 8.1600 -2.5890 N.am 1 PRO -0.2471
20
+ 8 CA -7.8880 7.8840 -1.3380 C.3 1 PRO 0.1341
21
+ 9 C -7.7650 6.3740 -1.1270 C.2 1 PRO 0.2066
22
+ 10 O -8.7090 5.6300 -1.4130 O.2 1 PRO -0.3942
23
+ 11 CB -8.7850 8.5180 -0.2700 C.3 1 PRO -0.0104
24
+ 12 CG -10.1440 8.5550 -0.8790 C.3 1 PRO -0.0281
25
+ 13 CD -9.9340 8.7330 -2.3570 C.3 1 PRO 0.0371
26
+ 14 N -6.6150 5.8910 -0.6320 N.am 1 PRO -0.2498
27
+ 15 CA -6.3700 4.4600 -0.4890 C.3 1 PRO 0.1340
28
+ 16 C -7.2290 3.8450 0.6100 C.2 1 PRO 0.2066
29
+ 17 O -7.3490 4.4060 1.7030 O.2 1 PRO -0.3942
30
+ 18 CB -4.8790 4.3700 -0.1350 C.3 1 PRO -0.0104
31
+ 19 CG -4.3290 5.7420 -0.3440 C.3 1 PRO -0.0281
32
+ 20 CD -5.4790 6.6820 -0.1490 C.3 1 PRO 0.0369
33
+ 21 N -7.8380 2.6850 0.3170 N.am 1 PRO -0.2498
34
+ 22 CA -8.7110 1.9560 1.2480 C.3 1 PRO 0.1340
35
+ 23 C -8.0830 1.7620 2.6240 C.2 1 PRO 0.2066
36
+ 24 O -6.8620 1.6110 2.7450 O.2 1 PRO -0.3942
37
+ 25 CB -8.9110 0.5920 0.5650 C.3 1 PRO -0.0104
38
+ 26 CG -7.9220 0.5550 -0.5510 C.3 1 PRO -0.0281
39
+ 27 CD -7.7340 1.9800 -0.9620 C.3 1 PRO 0.0369
40
+ 28 N -8.9210 1.7560 3.6750 N.am 1 PRO -0.2498
41
+ 29 CA -8.4710 1.5440 5.0520 C.3 1 PRO 0.1338
42
+ 30 C -7.5850 0.3110 5.1890 C.2 1 PRO 0.2042
43
+ 31 O -7.9670 -0.7910 4.8000 O.2 1 PRO -0.3944
44
+ 32 CB -9.7750 1.3540 5.8270 C.3 1 PRO -0.0104
45
+ 33 CG -10.7910 2.1020 5.0360 C.3 1 PRO -0.0281
46
+ 34 CD -10.3820 1.9530 3.5990 C.3 1 PRO 0.0369
47
+ 35 N -6.4110 0.5210 5.7650 N.am 1 TYR -0.2621
48
+ 36 CA -5.4070 -0.5250 5.9490 C.3 1 TYR 0.1390
49
+ 37 C -5.9180 -1.6690 6.8430 C.2 1 TYR 0.2058
50
+ 38 O -5.2900 -2.7250 6.9400 O.2 1 TYR -0.3942
51
+ 39 CB -4.1230 0.1270 6.4980 C.3 1 TYR 0.0163
52
+ 40 CG -3.2660 -0.7440 7.3890 C.ar 1 TYR -0.0493
53
+ 41 CD1 -2.4740 -1.7600 6.8710 C.ar 1 TYR -0.0685
54
+ 42 CD2 -3.2440 -0.5300 8.7570 C.ar 1 TYR -0.0685
55
+ 43 CE1 -1.6880 -2.5390 7.6970 C.ar 1 TYR -0.0398
56
+ 44 CE2 -2.4640 -1.3010 9.5890 C.ar 1 TYR -0.0398
57
+ 45 CZ -1.6870 -2.3050 9.0570 C.ar 1 TYR 0.0805
58
+ 46 OH -0.9050 -3.0760 9.8860 O.3 1 TYR -0.3376
59
+ 47 N -7.0720 -1.4640 7.4700 N.am 1 SER -0.2614
60
+ 48 CA -7.6370 -2.4490 8.3820 C.3 1 SER 0.1539
61
+ 49 C -7.8940 -3.7860 7.6750 C.2 1 SER 0.2062
62
+ 50 O -7.7240 -4.8550 8.2700 O.2 1 SER -0.3943
63
+ 51 CB -8.9400 -1.9140 8.9740 C.3 1 SER 0.0843
64
+ 52 OG -8.8070 -0.5480 9.3380 O.3 1 SER -0.3903
65
+ 53 N -8.3440 -3.7310 6.4230 N.am 1 ARG -0.2637
66
+ 54 CA -8.5030 -4.9430 5.6330 C.3 1 ARG 0.1311
67
+ 55 C -8.3100 -4.6610 4.1480 C.2 1 ARG 0.2040
68
+ 56 O -8.3430 -3.5130 3.7130 O.2 1 ARG -0.3944
69
+ 57 CB -9.8530 -5.6130 5.8630 C.3 1 ARG -0.0092
70
+ 58 CG -9.7820 -7.1030 5.5820 C.3 1 ARG -0.0156
71
+ 59 CD -9.2270 -7.8630 6.7740 C.3 1 ARG 0.0627
72
+ 60 NE -10.2690 -8.2000 7.7370 N.pl3 1 ARG -0.2723
73
+ 61 CZ -10.3220 -7.7380 8.9860 C.cat 1 ARG 0.2882
74
+ 62 NH1 -9.4230 -6.8610 9.4240 N.pl3 1 ARG -0.2849
75
+ 63 NH2 -11.2870 -8.1530 9.7940 N.pl3 1 ARG -0.2849
76
+ 64 N -8.1300 -5.7270 3.3770 N.am 1 TYR -0.2621
77
+ 65 CA -7.8290 -5.6210 1.9580 C.3 1 TYR 0.1392
78
+ 66 C -9.1230 -5.6010 1.1520 C.2 1 TYR 0.2082
79
+ 67 O -9.9720 -6.4830 1.3070 O.2 1 TYR -0.3940
80
+ 68 CB -6.9720 -6.8140 1.4940 C.3 1 TYR 0.0164
81
+ 69 CG -5.7260 -7.0920 2.3230 C.ar 1 TYR -0.0493
82
+ 70 CD1 -5.4870 -6.4360 3.5210 C.ar 1 TYR -0.0685
83
+ 71 CD2 -4.8060 -8.0490 1.9140 C.ar 1 TYR -0.0685
84
+ 72 CE1 -4.3840 -6.7150 4.2860 C.ar 1 TYR -0.0398
85
+ 73 CE2 -3.6870 -8.3310 2.6730 C.ar 1 TYR -0.0398
86
+ 74 CZ -3.4820 -7.6630 3.8610 C.ar 1 TYR 0.0805
87
+ 75 OH -2.3760 -7.9500 4.6300 O.3 1 TYR -0.3376
88
+ 76 N -9.2930 -4.5910 0.2900 N.am 1 PRO -0.2497
89
+ 77 CA -10.4450 -4.5060 -0.6090 C.3 1 PRO 0.1338
90
+ 78 C -10.4660 -5.6600 -1.6090 C.2 1 PRO 0.2041
91
+ 79 O -9.4480 -5.9900 -2.2180 O.2 1 PRO -0.3944
92
+ 80 CB -10.2430 -3.1690 -1.3340 C.3 1 PRO -0.0104
93
+ 81 CG -8.7910 -2.8670 -1.1930 C.3 1 PRO -0.0281
94
+ 82 CD -8.3770 -3.4510 0.1260 C.3 1 PRO 0.0369
95
+ 83 N -11.6280 -6.2750 -1.7710 N.am 1 MET -0.2637
96
+ 84 CA -11.7740 -7.3900 -2.6980 C.3 1 MET 0.1317
97
+ 85 C -12.3140 -6.8870 -4.0360 C.2 1 MET 0.2035
98
+ 86 O -12.6410 -7.6670 -4.9340 O.2 1 MET -0.3944
99
+ 87 CB -12.7080 -8.4460 -2.1000 C.3 1 MET -0.0034
100
+ 88 CG -12.5930 -9.8080 -2.7650 C.3 1 MET -0.0024
101
+ 89 SD -10.9270 -10.4960 -2.6480 S.3 1 MET -0.1639
102
+ 90 CE -10.7180 -10.6000 -0.8690 C.3 1 MET -0.0181
103
+ 91 N -12.3820 -5.5710 -4.1610 N.am 1 ASP -0.2679
104
+ 92 CA -12.8880 -4.9320 -5.3650 C.3 1 ASP 0.1057
105
+ 93 C -11.9850 -3.7790 -5.7710 C.2 1 ASP 0.0618
106
+ 94 O -10.8130 -4.0350 -6.1090 O.co2 1 ASP -0.5665
107
+ 95 CB -14.3150 -4.4180 -5.1440 C.3 1 ASP 0.0351
108
+ 96 CG -15.3460 -5.5200 -5.1900 C.2 1 ASP 0.0387
109
+ 97 OD1 -15.7590 -5.8990 -6.3090 O.co2 1 ASP -0.5688
110
+ 98 OD2 -15.7550 -6.0120 -4.1130 O.co2 1 ASP -0.5688
111
+ 99 OXT -12.4570 -2.6270 -5.7680 O.co2 1 ASP -0.5665
112
+ 100 H -7.8924 9.4629 -5.9580 H 1 SER 0.2016
113
+ 101 H -7.4149 7.9234 -6.3806 H 1 SER 0.2016
114
+ 102 H -8.8372 8.5492 -6.9825 H 1 SER 0.2016
115
+ 103 H -9.7959 8.6243 -4.7968 H 1 SER 0.1122
116
+ 104 H -10.0732 6.2191 -4.5278 H 1 SER 0.0640
117
+ 105 H -8.5604 5.9167 -5.4565 H 1 SER 0.0640
118
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+ M END
394
+ $$$$