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Add batch 34

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  1. 1a7c/1a7c_ligand.mol2 +157 -0
  2. 1a7c/1a7c_ligand.sdf +147 -0
  3. 1a7c/1a7c_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1a7c/1a7c_protein_processed_fix.pdb +0 -0
  5. 1d6v/1d6v_ligand.mol2 +126 -0
  6. 1d6v/1d6v_ligand.sdf +118 -0
  7. 1d6v/1d6v_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1d6v/1d6v_protein_processed_fix.pdb +0 -0
  9. 1ddm/1ddm_ligand.mol2 +347 -0
  10. 1ddm/1ddm_ligand.sdf +343 -0
  11. 1ddm/1ddm_protein_esmfold_aligned_tr_fix.pdb +1066 -0
  12. 1ddm/1ddm_protein_processed_fix.pdb +0 -0
  13. 1e8h/1e8h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  14. 1e8h/1e8h_protein_processed_fix.pdb +0 -0
  15. 1jr1/1jr1_ligand.mol2 +101 -0
  16. 1jr1/1jr1_ligand.sdf +93 -0
  17. 1jr1/1jr1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 1jr1/1jr1_protein_processed_fix.pdb +0 -0
  19. 1o6q/1o6q_ligand.mol2 +116 -0
  20. 1o6q/1o6q_ligand.sdf +106 -0
  21. 1o6q/1o6q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 1o6q/1o6q_protein_processed_fix.pdb +0 -0
  23. 1q9m/1q9m_ligand.mol2 +100 -0
  24. 1q9m/1q9m_ligand.sdf +90 -0
  25. 1q9m/1q9m_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1q9m/1q9m_protein_processed_fix.pdb +0 -0
  27. 1v2k/1v2k_ligand.mol2 +142 -0
  28. 1v2k/1v2k_ligand.sdf +132 -0
  29. 1v2k/1v2k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1v2k/1v2k_protein_processed_fix.pdb +0 -0
  31. 1xuc/1xuc_ligand.mol2 +118 -0
  32. 1xuc/1xuc_ligand.sdf +108 -0
  33. 1xuc/1xuc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1xuc/1xuc_protein_processed_fix.pdb +0 -0
  35. 2cv3/2cv3_ligand.mol2 +362 -0
  36. 2cv3/2cv3_ligand.sdf +352 -0
  37. 2cv3/2cv3_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2cv3/2cv3_protein_processed_fix.pdb +0 -0
  39. 2er9/2er9_ligand.mol2 +283 -0
  40. 2er9/2er9_ligand.sdf +269 -0
  41. 2er9/2er9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 2er9/2er9_protein_processed_fix.pdb +0 -0
  43. 2f7o/2f7o_ligand.mol2 +66 -0
  44. 2f7o/2f7o_ligand.sdf +56 -0
  45. 2f7o/2f7o_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2f7o/2f7o_protein_processed_fix.pdb +0 -0
  47. 2flu/2flu_ligand.mol2 +512 -0
  48. 2flu/2flu_ligand.sdf +510 -0
  49. 2flu/2flu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2flu/2flu_protein_processed_fix.pdb +0 -0
1a7c/1a7c_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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+ 11 N 16.3290 17.7710 32.8300 N.am 1 VAL -0.2634
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+ 16 CG1 18.4020 20.8580 31.9540 C.3 1 VAL -0.0584
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+ 29 N 18.0130 20.4050 22.8500 N.am 1 SER -0.2615
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+ 35 O 18.2710 22.2100 20.9000 O.2 1 SER -0.3947
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+ 36 H1 13.7460 17.4777 35.6527 H 1 THR 0.1883
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+ 37 H2 14.0191 15.2972 38.4925 H 1 ACE 0.0467
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+ 38 H3 12.7279 16.2268 37.6587 H 1 ACE 0.0467
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+ 39 H4 14.2549 17.0424 38.1382 H 1 ACE 0.0467
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+ 41 H6 12.8339 16.2278 33.1848 H 1 THR 0.0639
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+ 45 H10 14.4787 16.5152 31.3556 H 1 THR 0.0257
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+ 46 H11 16.9243 16.9700 32.8939 H 1 VAL 0.1883
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+ 47 H12 15.9715 19.6606 31.9702 H 1 VAL 0.0802
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+ 48 H13 18.8478 18.9270 32.7746 H 1 VAL 0.0343
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+ 49 H14 19.2615 21.3461 32.4367 H 1 VAL 0.0234
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+ 50 H15 17.5566 21.5606 31.9134 H 1 VAL 0.0234
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+ 51 H16 18.6777 20.5565 30.9327 H 1 VAL 0.0234
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+ 52 H17 17.3746 19.1361 34.7545 H 1 VAL 0.0234
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+ 53 H18 16.8276 20.7455 34.1739 H 1 VAL 0.0234
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+ 54 H19 18.5417 20.4975 34.6503 H 1 VAL 0.0234
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+ 55 H20 16.0521 19.7259 29.7582 H 1 ALA 0.1883
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+ 56 H21 17.9860 18.0037 28.3321 H 1 ALA 0.0797
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+ 68 H33 16.7003 18.4377 21.5267 H 1 SER 0.0606
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+ 69 H34 17.4953 19.6425 19.0715 H 1 SER 0.2097
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1a7c/1a7c_ligand.sdf ADDED
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+ $$$$
1a7c/1a7c_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a7c/1a7c_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1d6v/1d6v_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1d6v_ligand
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+ 13 C13 8.4910 13.2160 -6.0100 C.ar 1 HOP -0.0328
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The diff for this file is too large to render. See raw diff
 
1d6v/1d6v_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ M END
343
+ $$$$
1ddm/1ddm_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1066 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C HIS A 1 18.761 8.216 -1.466 1.00 67.98 C
2
+ ATOM 2 CA HIS A 1 19.832 9.093 -0.826 1.00 68.18 C
3
+ ATOM 3 CB HIS A 1 21.222 8.547 -1.153 1.00 54.95 C
4
+ ATOM 4 CD2 HIS A 1 23.306 10.087 -1.025 1.00 46.60 C
5
+ ATOM 5 CE1 HIS A 1 23.040 11.132 -2.934 1.00 42.03 C
6
+ ATOM 6 CG HIS A 1 22.187 9.595 -1.607 1.00 49.12 C
7
+ ATOM 7 N HIS A 1 19.645 9.185 0.618 1.00 61.30 N
8
+ ATOM 8 ND1 HIS A 1 22.046 10.270 -2.801 1.00 51.36 N
9
+ ATOM 9 NE2 HIS A 1 23.819 11.040 -1.869 1.00 43.54 N
10
+ ATOM 10 O HIS A 1 18.161 8.596 -2.474 1.00 64.93 O
11
+ ATOM 11 C GLN A 2 16.138 6.709 -1.379 1.00 78.41 C
12
+ ATOM 12 CA GLN A 2 17.527 6.080 -1.420 1.00 77.71 C
13
+ ATOM 13 CB GLN A 2 17.536 4.774 -0.624 1.00 70.57 C
14
+ ATOM 14 CD GLN A 2 16.997 3.173 -2.510 1.00 62.04 C
15
+ ATOM 15 CG GLN A 2 16.574 3.721 -1.160 1.00 62.75 C
16
+ ATOM 16 N GLN A 2 18.536 7.000 -0.905 1.00 75.31 N
17
+ ATOM 17 NE2 GLN A 2 16.022 2.879 -3.362 1.00 52.05 N
18
+ ATOM 18 O GLN A 2 15.332 6.508 -2.291 1.00 75.28 O
19
+ ATOM 19 OE1 GLN A 2 18.192 3.016 -2.784 1.00 62.30 O
20
+ ATOM 20 C TRP A 3 14.287 9.138 -1.453 1.00 67.84 C
21
+ ATOM 21 CA TRP A 3 14.543 8.167 -0.305 1.00 76.79 C
22
+ ATOM 22 CB TRP A 3 14.486 8.913 1.032 1.00 61.17 C
23
+ ATOM 23 CD1 TRP A 3 15.627 7.897 3.095 1.00 44.64 C
24
+ ATOM 24 CD2 TRP A 3 13.565 7.118 2.700 1.00 48.16 C
25
+ ATOM 25 CE2 TRP A 3 14.076 6.481 3.852 1.00 42.13 C
26
+ ATOM 26 CE3 TRP A 3 12.277 6.787 2.256 1.00 53.22 C
27
+ ATOM 27 CG TRP A 3 14.573 8.019 2.232 1.00 49.74 C
28
+ ATOM 28 CH2 TRP A 3 12.086 5.225 4.112 1.00 51.42 C
29
+ ATOM 29 CZ2 TRP A 3 13.342 5.531 4.568 1.00 63.44 C
30
+ ATOM 30 CZ3 TRP A 3 11.549 5.842 2.969 1.00 42.84 C
31
+ ATOM 31 N TRP A 3 15.831 7.500 -0.465 1.00 63.96 N
32
+ ATOM 32 NE1 TRP A 3 15.334 6.973 4.071 1.00 56.64 N
33
+ ATOM 33 O TRP A 3 13.170 9.212 -1.972 1.00 65.38 O
34
+ ATOM 34 C GLN A 4 14.932 9.966 -4.247 1.00 82.53 C
35
+ ATOM 35 CA GLN A 4 15.189 10.696 -2.933 1.00 82.38 C
36
+ ATOM 36 CB GLN A 4 16.443 11.564 -3.051 1.00 74.80 C
37
+ ATOM 37 CD GLN A 4 17.818 13.463 -2.096 1.00 61.69 C
38
+ ATOM 38 CG GLN A 4 16.544 12.646 -1.984 1.00 62.46 C
39
+ ATOM 39 N GLN A 4 15.319 9.755 -1.824 1.00 78.30 N
40
+ ATOM 40 NE2 GLN A 4 17.904 14.536 -1.317 1.00 50.79 N
41
+ ATOM 41 O GLN A 4 14.149 10.430 -5.079 1.00 81.05 O
42
+ ATOM 42 OE1 GLN A 4 18.716 13.133 -2.876 1.00 64.38 O
43
+ ATOM 43 C ALA A 5 13.921 7.566 -5.676 1.00 84.90 C
44
+ ATOM 44 CA ALA A 5 15.346 8.103 -5.609 1.00 84.53 C
45
+ ATOM 45 CB ALA A 5 16.348 6.951 -5.638 1.00 78.49 C
46
+ ATOM 46 N ALA A 5 15.545 8.919 -4.413 1.00 79.79 N
47
+ ATOM 47 O ALA A 5 13.315 7.527 -6.749 1.00 83.80 O
48
+ ATOM 48 C ASP A 6 11.060 7.887 -4.916 1.00 86.94 C
49
+ ATOM 49 CA ASP A 6 12.039 6.787 -4.514 1.00 85.92 C
50
+ ATOM 50 CB ASP A 6 11.698 6.264 -3.118 1.00 83.44 C
51
+ ATOM 51 CG ASP A 6 12.387 4.950 -2.792 1.00 79.27 C
52
+ ATOM 52 N ASP A 6 13.417 7.268 -4.558 1.00 84.86 N
53
+ ATOM 53 O ASP A 6 10.128 7.645 -5.687 1.00 85.60 O
54
+ ATOM 54 OD1 ASP A 6 12.884 4.275 -3.719 1.00 77.54 O
55
+ ATOM 55 OD2 ASP A 6 12.431 4.585 -1.596 1.00 76.92 O
56
+ ATOM 56 C GLU A 7 10.439 10.414 -6.222 1.00 89.99 C
57
+ ATOM 57 CA GLU A 7 10.449 10.140 -4.721 1.00 89.81 C
58
+ ATOM 58 CB GLU A 7 10.863 11.402 -3.959 1.00 87.02 C
59
+ ATOM 59 CD GLU A 7 10.258 13.775 -3.286 1.00 72.66 C
60
+ ATOM 60 CG GLU A 7 9.924 12.581 -4.165 1.00 76.59 C
61
+ ATOM 61 N GLU A 7 11.337 9.029 -4.394 1.00 89.47 N
62
+ ATOM 62 O GLU A 7 9.377 10.618 -6.814 1.00 88.73 O
63
+ ATOM 63 OE1 GLU A 7 11.237 13.701 -2.508 1.00 70.11 O
64
+ ATOM 64 OE2 GLU A 7 9.535 14.793 -3.374 1.00 67.76 O
65
+ ATOM 65 C GLU A 8 10.987 9.575 -9.008 1.00 91.58 C
66
+ ATOM 66 CA GLU A 8 11.697 10.678 -8.228 1.00 90.86 C
67
+ ATOM 67 CB GLU A 8 13.165 10.762 -8.653 1.00 88.21 C
68
+ ATOM 68 CD GLU A 8 14.823 11.394 -10.472 1.00 70.35 C
69
+ ATOM 69 CG GLU A 8 13.362 11.194 -10.100 1.00 75.34 C
70
+ ATOM 70 N GLU A 8 11.592 10.458 -6.788 1.00 90.50 N
71
+ ATOM 71 O GLU A 8 10.290 9.849 -9.987 1.00 90.87 O
72
+ ATOM 72 OE1 GLU A 8 15.705 11.155 -9.617 1.00 66.76 O
73
+ ATOM 73 OE2 GLU A 8 15.086 11.792 -11.628 1.00 63.41 O
74
+ ATOM 74 C ALA A 9 8.975 7.332 -9.132 1.00 92.94 C
75
+ ATOM 75 CA ALA A 9 10.495 7.252 -9.236 1.00 92.44 C
76
+ ATOM 76 CB ALA A 9 10.999 5.944 -8.631 1.00 91.53 C
77
+ ATOM 77 N ALA A 9 11.128 8.394 -8.581 1.00 91.99 N
78
+ ATOM 78 O ALA A 9 8.262 6.987 -10.078 1.00 92.61 O
79
+ ATOM 79 C VAL A 10 6.541 9.026 -8.758 1.00 92.82 C
80
+ ATOM 80 CA VAL A 10 7.056 7.934 -7.822 1.00 93.31 C
81
+ ATOM 81 CB VAL A 10 6.701 8.277 -6.357 1.00 92.66 C
82
+ ATOM 82 CG1 VAL A 10 5.233 8.682 -6.238 1.00 90.21 C
83
+ ATOM 83 CG2 VAL A 10 7.007 7.090 -5.444 1.00 89.62 C
84
+ ATOM 84 N VAL A 10 8.496 7.769 -8.000 1.00 93.08 N
85
+ ATOM 85 O VAL A 10 5.517 8.851 -9.421 1.00 91.66 O
86
+ ATOM 86 C ARG A 11 6.857 10.880 -11.135 1.00 91.61 C
87
+ ATOM 87 CA ARG A 11 6.873 11.260 -9.658 1.00 91.65 C
88
+ ATOM 88 CB ARG A 11 7.802 12.455 -9.434 1.00 90.13 C
89
+ ATOM 89 CD ARG A 11 8.446 14.413 -7.986 1.00 80.35 C
90
+ ATOM 90 CG ARG A 11 7.577 13.169 -8.110 1.00 83.19 C
91
+ ATOM 91 CZ ARG A 11 7.411 15.786 -6.208 1.00 71.63 C
92
+ ATOM 92 N ARG A 11 7.281 10.129 -8.831 1.00 91.89 N
93
+ ATOM 93 NE ARG A 11 8.379 14.985 -6.644 1.00 75.38 N
94
+ ATOM 94 NH1 ARG A 11 6.403 16.128 -7.005 1.00 62.11 N
95
+ ATOM 95 NH2 ARG A 11 7.450 16.250 -4.969 1.00 59.58 N
96
+ ATOM 96 O ARG A 11 5.971 11.303 -11.881 1.00 90.57 O
97
+ ATOM 97 C SER A 12 7.122 8.396 -13.195 1.00 92.55 C
98
+ ATOM 98 CA SER A 12 7.924 9.661 -12.907 1.00 92.50 C
99
+ ATOM 99 CB SER A 12 9.390 9.442 -13.283 1.00 91.22 C
100
+ ATOM 100 N SER A 12 7.808 10.053 -11.506 1.00 92.65 N
101
+ ATOM 101 O SER A 12 7.202 7.841 -14.294 1.00 91.55 O
102
+ ATOM 102 OG SER A 12 9.934 8.344 -12.571 1.00 82.31 O
103
+ ATOM 103 C ALA A 13 6.319 5.505 -12.651 1.00 92.10 C
104
+ ATOM 104 CA ALA A 13 5.531 6.757 -12.275 1.00 92.34 C
105
+ ATOM 105 CB ALA A 13 4.437 7.023 -13.306 1.00 90.66 C
106
+ ATOM 106 N ALA A 13 6.412 7.916 -12.156 1.00 92.06 N
107
+ ATOM 107 O ALA A 13 5.834 4.663 -13.411 1.00 90.29 O
108
+ ATOM 108 C THR A 14 8.610 3.399 -11.099 1.00 92.66 C
109
+ ATOM 109 CA THR A 14 8.340 4.175 -12.384 1.00 92.99 C
110
+ ATOM 110 CB THR A 14 9.678 4.586 -13.029 1.00 91.83 C
111
+ ATOM 111 CG2 THR A 14 9.454 5.279 -14.368 1.00 86.06 C
112
+ ATOM 112 N THR A 14 7.502 5.339 -12.120 1.00 93.02 N
113
+ ATOM 113 O THR A 14 9.360 2.420 -11.104 1.00 91.30 O
114
+ ATOM 114 OG1 THR A 14 10.370 5.481 -12.151 1.00 87.61 O
115
+ ATOM 115 C CYS A 15 7.505 1.846 -8.562 1.00 93.83 C
116
+ ATOM 116 CA CYS A 15 8.295 3.145 -8.682 1.00 93.82 C
117
+ ATOM 117 CB CYS A 15 7.894 4.102 -7.561 1.00 92.98 C
118
+ ATOM 118 N CYS A 15 8.083 3.766 -9.985 1.00 93.42 N
119
+ ATOM 119 O CYS A 15 6.291 1.832 -8.773 1.00 93.25 O
120
+ ATOM 120 SG CYS A 15 8.318 3.507 -5.909 1.00 91.26 S
121
+ ATOM 121 C SER A 16 8.219 -1.321 -7.035 1.00 93.59 C
122
+ ATOM 122 CA SER A 16 7.532 -0.460 -8.091 1.00 93.65 C
123
+ ATOM 123 CB SER A 16 7.477 -1.215 -9.420 1.00 92.34 C
124
+ ATOM 124 N SER A 16 8.215 0.819 -8.257 1.00 93.55 N
125
+ ATOM 125 O SER A 16 9.419 -1.175 -6.794 1.00 92.91 O
126
+ ATOM 126 OG SER A 16 8.780 -1.569 -9.852 1.00 81.08 O
127
+ ATOM 127 C PHE A 17 7.356 -4.496 -5.669 1.00 94.09 C
128
+ ATOM 128 CA PHE A 17 7.902 -3.094 -5.423 1.00 94.29 C
129
+ ATOM 129 CB PHE A 17 7.477 -2.600 -4.037 1.00 93.99 C
130
+ ATOM 130 CD1 PHE A 17 9.237 -1.063 -3.103 1.00 91.73 C
131
+ ATOM 131 CD2 PHE A 17 7.229 -0.100 -3.974 1.00 91.50 C
132
+ ATOM 132 CE1 PHE A 17 9.715 0.206 -2.787 1.00 91.07 C
133
+ ATOM 133 CE2 PHE A 17 7.701 1.172 -3.662 1.00 91.28 C
134
+ ATOM 134 CG PHE A 17 7.992 -1.228 -3.698 1.00 93.29 C
135
+ ATOM 135 CZ PHE A 17 8.943 1.323 -3.068 1.00 90.55 C
136
+ ATOM 136 N PHE A 17 7.446 -2.173 -6.458 1.00 94.14 N
137
+ ATOM 137 O PHE A 17 6.186 -4.659 -6.022 1.00 93.52 O
138
+ ATOM 138 C SER A 18 7.099 -7.182 -4.153 1.00 94.79 C
139
+ ATOM 139 CA SER A 18 7.761 -6.882 -5.493 1.00 94.68 C
140
+ ATOM 140 CB SER A 18 8.911 -7.862 -5.733 1.00 93.56 C
141
+ ATOM 141 N SER A 18 8.242 -5.505 -5.552 1.00 94.55 N
142
+ ATOM 142 O SER A 18 7.701 -6.973 -3.097 1.00 94.39 O
143
+ ATOM 143 OG SER A 18 9.439 -7.708 -7.040 1.00 78.21 O
144
+ ATOM 144 C VAL A 19 4.291 -9.183 -3.068 1.00 94.91 C
145
+ ATOM 145 CA VAL A 19 5.094 -7.887 -3.005 1.00 95.07 C
146
+ ATOM 146 CB VAL A 19 4.155 -6.690 -2.732 1.00 94.70 C
147
+ ATOM 147 CG1 VAL A 19 4.957 -5.402 -2.556 1.00 92.74 C
148
+ ATOM 148 CG2 VAL A 19 3.139 -6.541 -3.864 1.00 92.39 C
149
+ ATOM 149 N VAL A 19 5.842 -7.708 -4.245 1.00 94.98 N
150
+ ATOM 150 O VAL A 19 4.058 -9.724 -4.150 1.00 94.43 O
151
+ ATOM 151 C LYS A 20 1.525 -9.817 -1.250 1.00 94.74 C
152
+ ATOM 152 CA LYS A 20 2.783 -10.524 -1.750 1.00 94.62 C
153
+ ATOM 153 CB LYS A 20 3.179 -11.637 -0.778 1.00 93.72 C
154
+ ATOM 154 CD LYS A 20 4.728 -13.541 -0.221 1.00 84.41 C
155
+ ATOM 155 CE LYS A 20 5.958 -14.329 -0.652 1.00 76.16 C
156
+ ATOM 156 CG LYS A 20 4.351 -12.483 -1.251 1.00 88.69 C
157
+ ATOM 157 N LYS A 20 3.883 -9.579 -1.924 1.00 94.57 N
158
+ ATOM 158 NZ LYS A 20 6.420 -15.265 0.416 1.00 65.34 N
159
+ ATOM 159 O LYS A 20 1.541 -9.183 -0.194 1.00 94.36 O
160
+ ATOM 160 C TYR A 21 -1.571 -10.304 -0.808 1.00 94.68 C
161
+ ATOM 161 CA TYR A 21 -0.764 -9.324 -1.653 1.00 94.85 C
162
+ ATOM 162 CB TYR A 21 -1.557 -8.938 -2.905 1.00 94.56 C
163
+ ATOM 163 CD1 TYR A 21 -3.028 -7.163 -1.874 1.00 93.14 C
164
+ ATOM 164 CD2 TYR A 21 -4.076 -8.957 -3.053 1.00 92.86 C
165
+ ATOM 165 CE1 TYR A 21 -4.274 -6.611 -1.593 1.00 92.31 C
166
+ ATOM 166 CE2 TYR A 21 -5.326 -8.414 -2.780 1.00 92.54 C
167
+ ATOM 167 CG TYR A 21 -2.911 -8.342 -2.606 1.00 94.16 C
168
+ ATOM 168 CZ TYR A 21 -5.416 -7.242 -2.051 1.00 91.98 C
169
+ ATOM 169 N TYR A 21 0.528 -9.893 -2.020 1.00 94.66 N
170
+ ATOM 170 O TYR A 21 -1.816 -11.438 -1.226 1.00 94.22 O
171
+ ATOM 171 OH TYR A 21 -6.651 -6.700 -1.776 1.00 88.86 O
172
+ ATOM 172 C LEU A 22 -4.137 -10.668 1.212 1.00 94.49 C
173
+ ATOM 173 CA LEU A 22 -2.621 -10.794 1.325 1.00 94.67 C
174
+ ATOM 174 CB LEU A 22 -2.177 -10.468 2.754 1.00 94.13 C
175
+ ATOM 175 CD1 LEU A 22 -0.378 -10.149 4.473 1.00 87.24 C
176
+ ATOM 176 CD2 LEU A 22 -0.165 -11.969 2.758 1.00 86.80 C
177
+ ATOM 177 CG LEU A 22 -0.675 -10.559 3.034 1.00 92.07 C
178
+ ATOM 178 N LEU A 22 -1.954 -9.916 0.370 1.00 94.72 N
179
+ ATOM 179 O LEU A 22 -4.875 -11.484 1.770 1.00 93.85 O
180
+ ATOM 180 C GLY A 23 -6.430 -8.016 1.189 1.00 94.19 C
181
+ ATOM 181 CA GLY A 23 -6.042 -9.246 0.391 1.00 93.94 C
182
+ ATOM 182 N GLY A 23 -4.621 -9.549 0.461 1.00 93.81 N
183
+ ATOM 183 O GLY A 23 -5.579 -7.185 1.513 1.00 93.87 O
184
+ ATOM 184 C CYS A 24 -9.370 -7.292 3.091 1.00 94.07 C
185
+ ATOM 185 CA CYS A 24 -8.247 -6.876 2.151 1.00 94.47 C
186
+ ATOM 186 CB CYS A 24 -8.739 -5.778 1.208 1.00 93.61 C
187
+ ATOM 187 N CYS A 24 -7.752 -8.018 1.391 1.00 94.42 N
188
+ ATOM 188 O CYS A 24 -10.016 -8.321 2.878 1.00 93.11 O
189
+ ATOM 189 SG CYS A 24 -10.162 -6.263 0.206 1.00 88.15 S
190
+ ATOM 190 C VAL A 25 -11.274 -5.385 5.379 1.00 94.06 C
191
+ ATOM 191 CA VAL A 25 -10.594 -6.718 5.069 1.00 93.99 C
192
+ ATOM 192 CB VAL A 25 -10.069 -7.364 6.372 1.00 93.16 C
193
+ ATOM 193 CG1 VAL A 25 -9.512 -8.760 6.095 1.00 85.16 C
194
+ ATOM 194 CG2 VAL A 25 -9.004 -6.478 7.014 1.00 84.11 C
195
+ ATOM 195 N VAL A 25 -9.521 -6.512 4.103 1.00 94.00 N
196
+ ATOM 196 O VAL A 25 -10.648 -4.327 5.292 1.00 93.54 O
197
+ ATOM 197 C GLU A 26 -12.796 -3.786 7.462 1.00 94.53 C
198
+ ATOM 198 CA GLU A 26 -13.259 -4.278 6.093 1.00 94.53 C
199
+ ATOM 199 CB GLU A 26 -14.765 -4.554 6.116 1.00 93.70 C
200
+ ATOM 200 CD GLU A 26 -17.105 -3.594 6.359 1.00 88.16 C
201
+ ATOM 201 CG GLU A 26 -15.609 -3.332 6.446 1.00 90.57 C
202
+ ATOM 202 N GLU A 26 -12.524 -5.472 5.685 1.00 94.39 N
203
+ ATOM 203 O GLU A 26 -12.569 -4.586 8.371 1.00 94.11 O
204
+ ATOM 204 OE1 GLU A 26 -17.502 -4.735 6.028 1.00 86.12 O
205
+ ATOM 205 OE2 GLU A 26 -17.883 -2.652 6.623 1.00 85.55 O
206
+ ATOM 206 C VAL A 27 -13.314 -0.702 9.160 1.00 94.21 C
207
+ ATOM 207 CA VAL A 27 -12.339 -1.836 8.853 1.00 94.73 C
208
+ ATOM 208 CB VAL A 27 -10.888 -1.307 8.851 1.00 94.32 C
209
+ ATOM 209 CG1 VAL A 27 -9.893 -2.459 8.728 1.00 92.54 C
210
+ ATOM 210 CG2 VAL A 27 -10.690 -0.303 7.717 1.00 92.33 C
211
+ ATOM 211 N VAL A 27 -12.687 -2.453 7.577 1.00 94.78 N
212
+ ATOM 212 O VAL A 27 -13.947 -0.155 8.253 1.00 93.20 O
213
+ ATOM 213 C PHE A 28 -13.808 2.088 10.951 1.00 91.90 C
214
+ ATOM 214 CA PHE A 28 -14.386 0.680 10.895 1.00 92.38 C
215
+ ATOM 215 CB PHE A 28 -14.937 0.283 12.268 1.00 90.49 C
216
+ ATOM 216 CD1 PHE A 28 -17.057 -0.953 11.711 1.00 72.98 C
217
+ ATOM 217 CD2 PHE A 28 -15.280 -2.157 12.765 1.00 73.21 C
218
+ ATOM 218 CE1 PHE A 28 -17.835 -2.109 11.691 1.00 71.44 C
219
+ ATOM 219 CE2 PHE A 28 -16.052 -3.316 12.748 1.00 71.45 C
220
+ ATOM 220 CG PHE A 28 -15.775 -0.967 12.247 1.00 82.06 C
221
+ ATOM 221 CZ PHE A 28 -17.329 -3.290 12.211 1.00 70.17 C
222
+ ATOM 222 N PHE A 28 -13.378 -0.277 10.451 1.00 92.76 N
223
+ ATOM 223 O PHE A 28 -14.550 3.066 11.075 1.00 89.92 O
224
+ ATOM 224 C GLU A 29 -11.095 3.732 9.644 1.00 93.64 C
225
+ ATOM 225 CA GLU A 29 -11.866 3.497 10.940 1.00 93.21 C
226
+ ATOM 226 CB GLU A 29 -10.922 3.603 12.141 1.00 91.78 C
227
+ ATOM 227 CD GLU A 29 -10.668 3.552 14.668 1.00 80.42 C
228
+ ATOM 228 CG GLU A 29 -11.623 3.488 13.487 1.00 83.90 C
229
+ ATOM 229 N GLU A 29 -12.536 2.200 10.928 1.00 93.01 N
230
+ ATOM 230 O GLU A 29 -10.512 2.801 9.085 1.00 93.23 O
231
+ ATOM 231 OE1 GLU A 29 -10.122 4.643 14.950 1.00 78.42 O
232
+ ATOM 232 OE2 GLU A 29 -10.462 2.501 15.316 1.00 77.47 O
233
+ ATOM 233 C SER A 30 -8.883 5.530 8.192 1.00 93.46 C
234
+ ATOM 234 CA SER A 30 -10.385 5.344 8.003 1.00 94.07 C
235
+ ATOM 235 CB SER A 30 -10.996 6.621 7.422 1.00 93.04 C
236
+ ATOM 236 N SER A 30 -11.037 4.991 9.259 1.00 93.55 N
237
+ ATOM 237 O SER A 30 -8.163 5.819 7.234 1.00 92.14 O
238
+ ATOM 238 OG SER A 30 -10.820 7.711 8.309 1.00 86.95 O
239
+ ATOM 239 C ARG A 31 -6.632 5.002 11.036 1.00 93.89 C
240
+ ATOM 240 CA ARG A 31 -7.014 5.625 9.698 1.00 94.05 C
241
+ ATOM 241 CB ARG A 31 -6.690 7.122 9.705 1.00 92.73 C
242
+ ATOM 242 CD ARG A 31 -7.156 9.399 10.676 1.00 84.61 C
243
+ ATOM 243 CG ARG A 31 -7.414 7.902 10.790 1.00 87.07 C
244
+ ATOM 244 CZ ARG A 31 -5.247 10.949 10.930 1.00 77.59 C
245
+ ATOM 245 N ARG A 31 -8.426 5.408 9.401 1.00 93.84 N
246
+ ATOM 246 NE ARG A 31 -5.785 9.739 11.046 1.00 82.03 N
247
+ ATOM 247 NH1 ARG A 31 -5.957 11.964 10.448 1.00 66.81 N
248
+ ATOM 248 NH2 ARG A 31 -3.990 11.149 11.298 1.00 62.70 N
249
+ ATOM 249 O ARG A 31 -7.504 4.662 11.838 1.00 93.09 O
250
+ ATOM 250 C GLY A 32 -3.782 3.282 12.339 1.00 93.38 C
251
+ ATOM 251 CA GLY A 32 -4.745 4.446 12.478 1.00 93.38 C
252
+ ATOM 252 N GLY A 32 -5.251 4.926 11.202 1.00 93.42 N
253
+ ATOM 253 O GLY A 32 -4.091 2.289 11.678 1.00 92.60 O
254
+ ATOM 254 C MET A 33 -2.196 1.068 13.543 1.00 92.41 C
255
+ ATOM 255 CA MET A 33 -1.657 2.367 12.953 1.00 92.49 C
256
+ ATOM 256 CB MET A 33 -0.418 2.819 13.728 1.00 89.86 C
257
+ ATOM 257 CE MET A 33 2.555 4.000 12.800 1.00 62.74 C
258
+ ATOM 258 CG MET A 33 0.801 1.937 13.506 1.00 76.02 C
259
+ ATOM 259 N MET A 33 -2.679 3.410 12.966 1.00 92.52 N
260
+ ATOM 260 O MET A 33 -1.966 -0.010 12.993 1.00 91.23 O
261
+ ATOM 261 SD MET A 33 2.355 2.727 14.077 1.00 64.93 S
262
+ ATOM 262 C GLN A 34 -4.469 -0.665 14.385 1.00 93.19 C
263
+ ATOM 263 CA GLN A 34 -3.450 0.043 15.272 1.00 92.66 C
264
+ ATOM 264 CB GLN A 34 -4.094 0.432 16.604 1.00 90.71 C
265
+ ATOM 265 CD GLN A 34 -5.046 -0.352 18.815 1.00 73.14 C
266
+ ATOM 266 CG GLN A 34 -4.519 -0.760 17.452 1.00 78.59 C
267
+ ATOM 267 N GLN A 34 -2.901 1.221 14.607 1.00 92.59 N
268
+ ATOM 268 NE2 GLN A 34 -5.495 -1.330 19.595 1.00 60.75 N
269
+ ATOM 269 O GLN A 34 -4.511 -1.896 14.339 1.00 92.69 O
270
+ ATOM 270 OE1 GLN A 34 -5.049 0.832 19.166 1.00 67.96 O
271
+ ATOM 271 C VAL A 35 -5.519 -1.322 11.668 1.00 94.39 C
272
+ ATOM 272 CA VAL A 35 -6.240 -0.511 12.743 1.00 94.29 C
273
+ ATOM 273 CB VAL A 35 -7.119 0.578 12.089 1.00 93.57 C
274
+ ATOM 274 CG1 VAL A 35 -8.048 -0.035 11.043 1.00 88.81 C
275
+ ATOM 275 CG2 VAL A 35 -7.924 1.323 13.153 1.00 88.08 C
276
+ ATOM 276 N VAL A 35 -5.266 0.067 13.662 1.00 94.11 N
277
+ ATOM 277 O VAL A 35 -5.910 -2.453 11.369 1.00 93.96 O
278
+ ATOM 278 C CYS A 36 -2.997 -2.724 10.655 1.00 94.70 C
279
+ ATOM 279 CA CYS A 36 -3.664 -1.466 10.113 1.00 95.08 C
280
+ ATOM 280 CB CYS A 36 -2.604 -0.520 9.548 1.00 94.44 C
281
+ ATOM 281 N CYS A 36 -4.445 -0.800 11.148 1.00 94.94 N
282
+ ATOM 282 O CYS A 36 -3.005 -3.768 10.001 1.00 93.94 O
283
+ ATOM 283 SG CYS A 36 -3.269 0.729 8.424 1.00 93.43 S
284
+ ATOM 284 C GLU A 37 -2.726 -4.879 12.659 1.00 93.08 C
285
+ ATOM 285 CA GLU A 37 -1.752 -3.734 12.391 1.00 93.30 C
286
+ ATOM 286 CB GLU A 37 -1.045 -3.331 13.689 1.00 92.22 C
287
+ ATOM 287 CD GLU A 37 0.734 -1.871 14.761 1.00 85.76 C
288
+ ATOM 288 CG GLU A 37 0.188 -2.467 13.474 1.00 87.88 C
289
+ ATOM 289 N GLU A 37 -2.434 -2.587 11.801 1.00 93.35 N
290
+ ATOM 290 O GLU A 37 -2.406 -6.043 12.411 1.00 92.29 O
291
+ ATOM 291 OE1 GLU A 37 0.098 -2.038 15.826 1.00 82.97 O
292
+ ATOM 292 OE2 GLU A 37 1.808 -1.229 14.704 1.00 82.67 O
293
+ ATOM 293 C GLU A 38 -5.409 -6.200 12.094 1.00 93.66 C
294
+ ATOM 294 CA GLU A 38 -4.912 -5.587 13.400 1.00 93.30 C
295
+ ATOM 295 CB GLU A 38 -6.088 -5.003 14.188 1.00 91.78 C
296
+ ATOM 296 CD GLU A 38 -6.890 -3.984 16.371 1.00 76.24 C
297
+ ATOM 297 CG GLU A 38 -5.759 -4.689 15.640 1.00 81.58 C
298
+ ATOM 298 N GLU A 38 -3.901 -4.565 13.154 1.00 93.35 N
299
+ ATOM 299 O GLU A 38 -5.597 -7.415 12.003 1.00 93.16 O
300
+ ATOM 300 OE1 GLU A 38 -7.944 -3.719 15.749 1.00 71.08 O
301
+ ATOM 301 OE2 GLU A 38 -6.721 -3.692 17.577 1.00 68.65 O
302
+ ATOM 302 C ALA A 39 -4.992 -6.851 9.192 1.00 94.10 C
303
+ ATOM 303 CA ALA A 39 -6.034 -5.896 9.768 1.00 94.18 C
304
+ ATOM 304 CB ALA A 39 -6.275 -4.734 8.808 1.00 93.73 C
305
+ ATOM 305 N ALA A 39 -5.621 -5.397 11.078 1.00 94.08 N
306
+ ATOM 306 O ALA A 39 -5.336 -7.919 8.680 1.00 93.55 O
307
+ ATOM 307 C LEU A 40 -2.602 -8.621 9.529 1.00 93.31 C
308
+ ATOM 308 CA LEU A 40 -2.658 -7.294 8.780 1.00 93.61 C
309
+ ATOM 309 CB LEU A 40 -1.306 -6.581 8.878 1.00 92.24 C
310
+ ATOM 310 CD1 LEU A 40 0.266 -4.796 8.088 1.00 71.23 C
311
+ ATOM 311 CD2 LEU A 40 -0.695 -6.434 6.448 1.00 70.92 C
312
+ ATOM 312 CG LEU A 40 -0.950 -5.641 7.725 1.00 83.42 C
313
+ ATOM 313 N LEU A 40 -3.722 -6.445 9.305 1.00 93.72 N
314
+ ATOM 314 O LEU A 40 -2.354 -9.668 8.928 1.00 92.25 O
315
+ ATOM 315 C LYS A 41 -3.903 -10.727 11.142 1.00 92.38 C
316
+ ATOM 316 CA LYS A 41 -2.805 -9.792 11.640 1.00 92.38 C
317
+ ATOM 317 CB LYS A 41 -3.025 -9.467 13.118 1.00 91.37 C
318
+ ATOM 318 CD LYS A 41 -3.245 -10.302 15.483 1.00 83.56 C
319
+ ATOM 319 CE LYS A 41 -3.336 -11.529 16.381 1.00 76.95 C
320
+ ATOM 320 CG LYS A 41 -3.030 -10.689 14.025 1.00 86.60 C
321
+ ATOM 321 N LYS A 41 -2.761 -8.566 10.847 1.00 92.51 N
322
+ ATOM 322 NZ LYS A 41 -3.541 -11.154 17.812 1.00 69.20 N
323
+ ATOM 323 O LYS A 41 -3.670 -11.925 10.962 1.00 91.66 O
324
+ ATOM 324 C VAL A 42 -5.870 -11.586 9.008 1.00 92.86 C
325
+ ATOM 325 CA VAL A 42 -6.201 -11.010 10.383 1.00 92.72 C
326
+ ATOM 326 CB VAL A 42 -7.492 -10.164 10.310 1.00 92.01 C
327
+ ATOM 327 CG1 VAL A 42 -8.573 -10.895 9.516 1.00 88.37 C
328
+ ATOM 328 CG2 VAL A 42 -7.991 -9.829 11.715 1.00 87.80 C
329
+ ATOM 329 N VAL A 42 -5.074 -10.226 10.875 1.00 92.76 N
330
+ ATOM 330 O VAL A 42 -6.140 -12.758 8.738 1.00 92.33 O
331
+ ATOM 331 C LEU A 43 -3.904 -12.313 6.805 1.00 92.76 C
332
+ ATOM 332 CA LEU A 43 -4.986 -11.239 6.793 1.00 93.53 C
333
+ ATOM 333 CB LEU A 43 -4.531 -10.049 5.943 1.00 93.33 C
334
+ ATOM 334 CD1 LEU A 43 -4.962 -7.782 4.965 1.00 91.77 C
335
+ ATOM 335 CD2 LEU A 43 -6.657 -9.611 4.682 1.00 91.50 C
336
+ ATOM 336 CG LEU A 43 -5.601 -9.010 5.604 1.00 93.06 C
337
+ ATOM 337 N LEU A 43 -5.305 -10.806 8.149 1.00 93.55 N
338
+ ATOM 338 O LEU A 43 -3.971 -13.278 6.040 1.00 91.44 O
339
+ ATOM 339 C ARG A 44 -2.370 -14.543 8.284 1.00 89.71 C
340
+ ATOM 340 CA ARG A 44 -1.850 -13.216 7.742 1.00 90.44 C
341
+ ATOM 341 CB ARG A 44 -0.717 -12.696 8.629 1.00 88.87 C
342
+ ATOM 342 CD ARG A 44 1.423 -11.376 8.775 1.00 79.21 C
343
+ ATOM 343 CG ARG A 44 0.182 -11.677 7.947 1.00 82.46 C
344
+ ATOM 344 CZ ARG A 44 1.912 -10.446 11.014 1.00 71.58 C
345
+ ATOM 345 N ARG A 44 -2.923 -12.231 7.650 1.00 91.02 N
346
+ ATOM 346 NE ARG A 44 1.098 -10.608 9.973 1.00 73.57 N
347
+ ATOM 347 NH1 ARG A 44 3.119 -11.000 11.023 1.00 59.59 N
348
+ ATOM 348 NH2 ARG A 44 1.514 -9.727 12.054 1.00 56.85 N
349
+ ATOM 349 O ARG A 44 -1.846 -15.607 7.944 1.00 87.88 O
350
+ ATOM 350 C GLN A 45 -4.963 -16.294 8.783 1.00 89.56 C
351
+ ATOM 351 CA GLN A 45 -3.915 -15.660 9.694 1.00 89.91 C
352
+ ATOM 352 CB GLN A 45 -4.530 -15.337 11.057 1.00 88.32 C
353
+ ATOM 353 CD GLN A 45 -4.149 -14.455 13.399 1.00 79.85 C
354
+ ATOM 354 CG GLN A 45 -3.507 -14.949 12.116 1.00 82.55 C
355
+ ATOM 355 N GLN A 45 -3.351 -14.459 9.088 1.00 90.21 N
356
+ ATOM 356 NE2 GLN A 45 -3.383 -14.458 14.484 1.00 75.15 N
357
+ ATOM 357 O GLN A 45 -5.493 -17.365 9.089 1.00 87.90 O
358
+ ATOM 358 OE1 GLN A 45 -5.323 -14.073 13.414 1.00 76.76 O
359
+ ATOM 359 C SER A 46 -5.644 -17.297 5.978 1.00 87.22 C
360
+ ATOM 360 CA SER A 46 -6.206 -16.111 6.756 1.00 88.03 C
361
+ ATOM 361 CB SER A 46 -6.638 -15.012 5.784 1.00 86.13 C
362
+ ATOM 362 N SER A 46 -5.230 -15.595 7.711 1.00 88.85 N
363
+ ATOM 363 O SER A 46 -4.427 -17.457 5.874 1.00 84.45 O
364
+ ATOM 364 OG SER A 46 -5.773 -14.964 4.662 1.00 77.67 O
365
+ ATOM 365 C ARG A 47 -5.898 -19.055 3.373 1.00 84.66 C
366
+ ATOM 366 CA ARG A 47 -6.075 -19.390 4.850 1.00 86.14 C
367
+ ATOM 367 CB ARG A 47 -7.115 -20.500 5.015 1.00 82.16 C
368
+ ATOM 368 CD ARG A 47 -8.124 -22.271 6.496 1.00 71.94 C
369
+ ATOM 369 CG ARG A 47 -7.189 -21.071 6.422 1.00 74.85 C
370
+ ATOM 370 CZ ARG A 47 -8.919 -23.875 8.202 1.00 65.33 C
371
+ ATOM 371 N ARG A 47 -6.463 -18.207 5.612 1.00 86.28 N
372
+ ATOM 372 NE ARG A 47 -8.197 -22.814 7.849 1.00 61.39 N
373
+ ATOM 373 NH1 ARG A 47 -9.647 -24.527 7.304 1.00 45.79 N
374
+ ATOM 374 NH2 ARG A 47 -8.914 -24.284 9.462 1.00 41.44 N
375
+ ATOM 375 O ARG A 47 -5.511 -19.914 2.578 1.00 80.88 O
376
+ ATOM 376 C ARG A 48 -4.435 -17.403 1.265 1.00 84.93 C
377
+ ATOM 377 CA ARG A 48 -5.907 -17.480 1.658 1.00 84.21 C
378
+ ATOM 378 CB ARG A 48 -6.585 -16.130 1.413 1.00 80.96 C
379
+ ATOM 379 CD ARG A 48 -8.731 -14.840 1.143 1.00 68.74 C
380
+ ATOM 380 CG ARG A 48 -8.101 -16.177 1.510 1.00 72.06 C
381
+ ATOM 381 CZ ARG A 48 -10.989 -13.836 1.065 1.00 63.02 C
382
+ ATOM 382 N ARG A 48 -6.057 -17.885 3.051 1.00 84.96 N
383
+ ATOM 383 NE ARG A 48 -10.182 -14.868 1.295 1.00 62.89 N
384
+ ATOM 384 NH1 ARG A 48 -10.499 -12.668 0.666 1.00 53.24 N
385
+ ATOM 385 NH2 ARG A 48 -12.296 -13.971 1.234 1.00 48.41 N
386
+ ATOM 386 O ARG A 48 -3.610 -16.893 2.027 1.00 82.58 O
387
+ ATOM 387 C ARG A 49 -2.451 -16.464 -0.882 1.00 88.92 C
388
+ ATOM 388 CA ARG A 49 -2.782 -17.868 -0.388 1.00 88.12 C
389
+ ATOM 389 CB ARG A 49 -2.592 -18.881 -1.519 1.00 85.12 C
390
+ ATOM 390 CD ARG A 49 -1.002 -20.131 -3.021 1.00 71.51 C
391
+ ATOM 391 CG ARG A 49 -1.146 -19.054 -1.954 1.00 75.63 C
392
+ ATOM 392 CZ ARG A 49 0.800 -21.129 -4.389 1.00 62.84 C
393
+ ATOM 393 N ARG A 49 -4.143 -17.932 0.134 1.00 87.82 N
394
+ ATOM 394 NE ARG A 49 0.375 -20.240 -3.495 1.00 63.24 N
395
+ ATOM 395 NH1 ARG A 49 -0.040 -22.006 -4.927 1.00 46.89 N
396
+ ATOM 396 NH2 ARG A 49 2.075 -21.139 -4.750 1.00 42.24 N
397
+ ATOM 397 O ARG A 49 -3.212 -15.876 -1.652 1.00 87.55 O
398
+ ATOM 398 C PRO A 50 -0.670 -14.693 -2.429 1.00 91.66 C
399
+ ATOM 399 CA PRO A 50 -0.947 -14.657 -0.928 1.00 91.62 C
400
+ ATOM 400 CB PRO A 50 0.327 -14.324 -0.146 1.00 90.40 C
401
+ ATOM 401 CD PRO A 50 -0.508 -16.437 0.722 1.00 86.24 C
402
+ ATOM 402 CG PRO A 50 0.273 -15.200 1.063 1.00 87.34 C
403
+ ATOM 403 N PRO A 50 -1.340 -15.961 -0.392 1.00 91.24 N
404
+ ATOM 404 O PRO A 50 -0.247 -15.724 -2.957 1.00 90.86 O
405
+ ATOM 405 C VAL A 51 0.598 -12.668 -4.682 1.00 93.44 C
406
+ ATOM 406 CA VAL A 51 -0.672 -13.488 -4.466 1.00 93.26 C
407
+ ATOM 407 CB VAL A 51 -1.861 -12.832 -5.204 1.00 92.18 C
408
+ ATOM 408 CG1 VAL A 51 -1.564 -12.699 -6.696 1.00 85.10 C
409
+ ATOM 409 CG2 VAL A 51 -3.138 -13.640 -4.980 1.00 84.97 C
410
+ ATOM 410 N VAL A 51 -0.935 -13.624 -3.038 1.00 93.21 N
411
+ ATOM 411 O VAL A 51 0.706 -11.539 -4.197 1.00 92.88 O
412
+ ATOM 412 C ARG A 52 2.487 -11.505 -6.885 1.00 93.85 C
413
+ ATOM 413 CA ARG A 52 2.745 -12.488 -5.748 1.00 93.67 C
414
+ ATOM 414 CB ARG A 52 3.879 -13.442 -6.127 1.00 92.17 C
415
+ ATOM 415 CD ARG A 52 5.634 -15.077 -5.357 1.00 78.05 C
416
+ ATOM 416 CG ARG A 52 4.410 -14.262 -4.962 1.00 81.97 C
417
+ ATOM 417 CZ ARG A 52 7.215 -16.644 -4.281 1.00 66.83 C
418
+ ATOM 418 N ARG A 52 1.535 -13.234 -5.415 1.00 93.65 N
419
+ ATOM 419 NE ARG A 52 6.204 -15.782 -4.213 1.00 71.74 N
420
+ ATOM 420 NH1 ARG A 52 7.788 -16.927 -5.445 1.00 53.77 N
421
+ ATOM 421 NH2 ARG A 52 7.656 -17.229 -3.177 1.00 49.41 N
422
+ ATOM 422 O ARG A 52 1.827 -11.846 -7.869 1.00 93.33 O
423
+ ATOM 423 C GLY A 53 3.759 -8.134 -7.585 1.00 94.19 C
424
+ ATOM 424 CA GLY A 53 2.831 -9.323 -7.734 1.00 94.16 C
425
+ ATOM 425 N GLY A 53 3.019 -10.329 -6.700 1.00 94.14 N
426
+ ATOM 426 O GLY A 53 4.623 -8.119 -6.706 1.00 93.66 O
427
+ ATOM 427 C LEU A 54 3.409 -4.782 -8.140 1.00 95.10 C
428
+ ATOM 428 CA LEU A 54 4.332 -5.935 -8.517 1.00 94.91 C
429
+ ATOM 429 CB LEU A 54 4.973 -5.666 -9.881 1.00 93.53 C
430
+ ATOM 430 CD1 LEU A 54 7.293 -5.090 -9.121 1.00 68.26 C
431
+ ATOM 431 CD2 LEU A 54 6.470 -4.288 -11.352 1.00 67.37 C
432
+ ATOM 432 CG LEU A 54 6.081 -4.611 -9.914 1.00 81.94 C
433
+ ATOM 433 N LEU A 54 3.605 -7.200 -8.535 1.00 94.90 N
434
+ ATOM 434 O LEU A 54 2.394 -4.552 -8.802 1.00 94.68 O
435
+ ATOM 435 C LEU A 55 3.608 -1.706 -7.357 1.00 95.60 C
436
+ ATOM 436 CA LEU A 55 3.002 -2.934 -6.686 1.00 95.75 C
437
+ ATOM 437 CB LEU A 55 3.049 -2.774 -5.164 1.00 95.42 C
438
+ ATOM 438 CD1 LEU A 55 1.039 -1.296 -4.921 1.00 92.01 C
439
+ ATOM 439 CD2 LEU A 55 2.765 -1.374 -3.101 1.00 91.72 C
440
+ ATOM 440 CG LEU A 55 2.523 -1.452 -4.604 1.00 94.44 C
441
+ ATOM 441 N LEU A 55 3.699 -4.148 -7.095 1.00 95.64 N
442
+ ATOM 442 O LEU A 55 4.763 -1.360 -7.101 1.00 95.11 O
443
+ ATOM 443 C HIS A 56 2.687 1.358 -8.028 1.00 95.64 C
444
+ ATOM 444 CA HIS A 56 3.243 0.177 -8.818 1.00 95.60 C
445
+ ATOM 445 CB HIS A 56 2.756 0.239 -10.267 1.00 94.63 C
446
+ ATOM 446 CD2 HIS A 56 2.907 -2.084 -11.411 1.00 74.88 C
447
+ ATOM 447 CE1 HIS A 56 4.766 -1.762 -12.528 1.00 75.24 C
448
+ ATOM 448 CG HIS A 56 3.335 -0.829 -11.139 1.00 87.17 C
449
+ ATOM 449 N HIS A 56 2.864 -1.091 -8.206 1.00 95.54 N
450
+ ATOM 450 ND1 HIS A 56 4.501 -0.655 -11.853 1.00 73.07 N
451
+ ATOM 451 NE2 HIS A 56 3.813 -2.644 -12.276 1.00 75.69 N
452
+ ATOM 452 O HIS A 56 1.490 1.406 -7.736 1.00 95.28 O
453
+ ATOM 453 C VAL A 57 3.435 4.705 -7.702 1.00 94.83 C
454
+ ATOM 454 CA VAL A 57 3.197 3.437 -6.886 1.00 95.25 C
455
+ ATOM 455 CB VAL A 57 3.987 3.499 -5.560 1.00 94.79 C
456
+ ATOM 456 CG1 VAL A 57 3.537 4.693 -4.719 1.00 93.21 C
457
+ ATOM 457 CG2 VAL A 57 3.819 2.197 -4.778 1.00 92.95 C
458
+ ATOM 458 N VAL A 57 3.564 2.266 -7.675 1.00 95.23 N
459
+ ATOM 459 O VAL A 57 4.551 4.954 -8.163 1.00 94.00 O
460
+ ATOM 460 C SER A 58 1.545 7.748 -7.987 1.00 94.11 C
461
+ ATOM 461 CA SER A 58 2.506 6.721 -8.577 1.00 94.34 C
462
+ ATOM 462 CB SER A 58 2.223 6.542 -10.069 1.00 93.56 C
463
+ ATOM 463 N SER A 58 2.406 5.442 -7.881 1.00 94.43 N
464
+ ATOM 464 O SER A 58 0.732 7.419 -7.121 1.00 93.35 O
465
+ ATOM 465 OG SER A 58 0.843 6.313 -10.295 1.00 86.97 O
466
+ ATOM 466 C GLY A 59 -0.692 9.752 -8.455 1.00 92.66 C
467
+ ATOM 467 CA GLY A 59 0.737 10.055 -8.045 1.00 93.07 C
468
+ ATOM 468 N GLY A 59 1.680 9.026 -8.455 1.00 93.17 N
469
+ ATOM 469 O GLY A 59 -1.631 10.373 -7.954 1.00 91.39 O
470
+ ATOM 470 C ASP A 60 -2.815 7.371 -8.885 1.00 93.56 C
471
+ ATOM 471 CA ASP A 60 -2.201 8.424 -9.804 1.00 93.43 C
472
+ ATOM 472 CB ASP A 60 -2.174 7.914 -11.245 1.00 92.18 C
473
+ ATOM 473 CG ASP A 60 -1.862 9.005 -12.255 1.00 85.92 C
474
+ ATOM 474 N ASP A 60 -0.857 8.786 -9.363 1.00 93.60 N
475
+ ATOM 475 O ASP A 60 -4.034 7.329 -8.705 1.00 92.89 O
476
+ ATOM 476 OD1 ASP A 60 -2.153 10.189 -11.983 1.00 80.39 O
477
+ ATOM 477 OD2 ASP A 60 -1.321 8.676 -13.333 1.00 82.12 O
478
+ ATOM 478 C GLY A 61 -1.647 4.349 -7.221 1.00 94.31 C
479
+ ATOM 479 CA GLY A 61 -2.550 5.557 -7.393 1.00 93.95 C
480
+ ATOM 480 N GLY A 61 -2.005 6.553 -8.301 1.00 93.91 N
481
+ ATOM 481 O GLY A 61 -0.444 4.425 -7.481 1.00 93.70 O
482
+ ATOM 482 C LEU A 62 -2.138 0.945 -7.306 1.00 95.68 C
483
+ ATOM 483 CA LEU A 62 -1.573 2.066 -6.441 1.00 96.01 C
484
+ ATOM 484 CB LEU A 62 -1.755 1.724 -4.960 1.00 95.48 C
485
+ ATOM 485 CD1 LEU A 62 -1.692 2.378 -2.540 1.00 87.96 C
486
+ ATOM 486 CD2 LEU A 62 0.172 3.066 -4.072 1.00 87.45 C
487
+ ATOM 487 CG LEU A 62 -1.325 2.798 -3.959 1.00 93.14 C
488
+ ATOM 488 N LEU A 62 -2.214 3.338 -6.755 1.00 95.91 N
489
+ ATOM 489 O LEU A 62 -3.348 0.710 -7.314 1.00 94.98 O
490
+ ATOM 490 C ARG A 63 -0.850 -2.093 -8.585 1.00 96.05 C
491
+ ATOM 491 CA ARG A 63 -1.684 -0.851 -8.877 1.00 96.01 C
492
+ ATOM 492 CB ARG A 63 -1.565 -0.474 -10.354 1.00 94.77 C
493
+ ATOM 493 CD ARG A 63 -2.384 0.937 -12.274 1.00 77.94 C
494
+ ATOM 494 CG ARG A 63 -2.519 0.627 -10.789 1.00 82.74 C
495
+ ATOM 495 CZ ARG A 63 -3.176 2.777 -13.722 1.00 67.99 C
496
+ ATOM 496 N ARG A 63 -1.278 0.264 -8.028 1.00 96.09 N
497
+ ATOM 497 NE ARG A 63 -3.353 1.940 -12.705 1.00 74.24 N
498
+ ATOM 498 NH1 ARG A 63 -2.056 2.749 -14.437 1.00 60.74 N
499
+ ATOM 499 NH2 ARG A 63 -4.124 3.650 -14.030 1.00 55.20 N
500
+ ATOM 500 O ARG A 63 0.379 -2.021 -8.523 1.00 95.67 O
501
+ ATOM 501 C VAL A 64 -1.073 -5.338 -9.471 1.00 95.18 C
502
+ ATOM 502 CA VAL A 64 -0.819 -4.414 -8.283 1.00 95.46 C
503
+ ATOM 503 CB VAL A 64 -1.267 -5.096 -6.971 1.00 94.68 C
504
+ ATOM 504 CG1 VAL A 64 -0.501 -6.400 -6.750 1.00 87.24 C
505
+ ATOM 505 CG2 VAL A 64 -1.074 -4.152 -5.785 1.00 87.21 C
506
+ ATOM 506 N VAL A 64 -1.507 -3.144 -8.488 1.00 95.49 N
507
+ ATOM 507 O VAL A 64 -2.223 -5.640 -9.796 1.00 94.36 O
508
+ ATOM 508 C VAL A 65 0.380 -8.090 -10.730 1.00 95.04 C
509
+ ATOM 509 CA VAL A 65 -0.097 -6.707 -11.169 1.00 95.09 C
510
+ ATOM 510 CB VAL A 65 0.737 -6.212 -12.372 1.00 94.26 C
511
+ ATOM 511 CG1 VAL A 65 0.665 -7.212 -13.526 1.00 89.28 C
512
+ ATOM 512 CG2 VAL A 65 0.257 -4.835 -12.824 1.00 89.48 C
513
+ ATOM 513 N VAL A 65 -0.019 -5.778 -10.046 1.00 95.16 N
514
+ ATOM 514 O VAL A 65 1.479 -8.232 -10.190 1.00 94.50 O
515
+ ATOM 515 C ASP A 66 1.050 -10.933 -11.469 1.00 93.43 C
516
+ ATOM 516 CA ASP A 66 -0.151 -10.437 -10.667 1.00 93.81 C
517
+ ATOM 517 CB ASP A 66 -1.362 -11.336 -10.924 1.00 92.98 C
518
+ ATOM 518 CG ASP A 66 -1.122 -12.782 -10.528 1.00 90.20 C
519
+ ATOM 519 N ASP A 66 -0.464 -9.049 -10.997 1.00 93.77 N
520
+ ATOM 520 O ASP A 66 1.098 -10.774 -12.691 1.00 92.53 O
521
+ ATOM 521 OD1 ASP A 66 -0.220 -13.429 -11.101 1.00 87.58 O
522
+ ATOM 522 OD2 ASP A 66 -1.844 -13.279 -9.637 1.00 86.39 O
523
+ ATOM 523 C ASP A 67 2.921 -13.137 -12.491 1.00 90.85 C
524
+ ATOM 524 CA ASP A 67 3.214 -12.032 -11.477 1.00 91.58 C
525
+ ATOM 525 CB ASP A 67 4.233 -12.523 -10.445 1.00 89.96 C
526
+ ATOM 526 CG ASP A 67 5.018 -11.392 -9.804 1.00 82.70 C
527
+ ATOM 527 N ASP A 67 1.991 -11.587 -10.818 1.00 92.09 N
528
+ ATOM 528 O ASP A 67 3.579 -13.224 -13.529 1.00 88.80 O
529
+ ATOM 529 OD1 ASP A 67 4.900 -10.233 -10.258 1.00 75.74 O
530
+ ATOM 530 OD2 ASP A 67 5.763 -11.663 -8.838 1.00 79.42 O
531
+ ATOM 531 C GLU A 68 0.791 -14.794 -14.156 1.00 90.90 C
532
+ ATOM 532 CA GLU A 68 1.724 -15.114 -12.992 1.00 90.49 C
533
+ ATOM 533 CB GLU A 68 1.130 -16.237 -12.137 1.00 88.14 C
534
+ ATOM 534 CD GLU A 68 1.158 -18.705 -11.535 1.00 71.89 C
535
+ ATOM 535 CG GLU A 68 1.755 -17.601 -12.393 1.00 76.72 C
536
+ ATOM 536 N GLU A 68 1.977 -13.930 -12.177 1.00 90.82 N
537
+ ATOM 537 O GLU A 68 1.103 -15.094 -15.310 1.00 89.70 O
538
+ ATOM 538 OE1 GLU A 68 0.272 -18.413 -10.700 1.00 67.76 O
539
+ ATOM 539 OE2 GLU A 68 1.582 -19.872 -11.697 1.00 64.15 O
540
+ ATOM 540 C THR A 69 -1.198 -12.597 -15.545 1.00 90.81 C
541
+ ATOM 541 CA THR A 69 -1.363 -13.941 -14.843 1.00 90.83 C
542
+ ATOM 542 CB THR A 69 -2.759 -14.017 -14.196 1.00 89.54 C
543
+ ATOM 543 CG2 THR A 69 -2.949 -15.335 -13.453 1.00 83.47 C
544
+ ATOM 544 N THR A 69 -0.309 -14.141 -13.855 1.00 90.97 N
545
+ ATOM 545 O THR A 69 -1.798 -12.361 -16.597 1.00 89.67 O
546
+ ATOM 546 OG1 THR A 69 -2.908 -12.933 -13.270 1.00 83.21 O
547
+ ATOM 547 C LYS A 70 -1.518 -9.560 -15.343 1.00 90.58 C
548
+ ATOM 548 CA LYS A 70 -0.233 -10.380 -15.410 1.00 90.94 C
549
+ ATOM 549 CB LYS A 70 0.295 -10.409 -16.846 1.00 88.76 C
550
+ ATOM 550 CD LYS A 70 2.694 -10.608 -16.110 1.00 78.33 C
551
+ ATOM 551 CE LYS A 70 3.994 -11.389 -16.250 1.00 72.46 C
552
+ ATOM 552 CG LYS A 70 1.602 -11.172 -17.009 1.00 81.97 C
553
+ ATOM 553 N LYS A 70 -0.446 -11.736 -14.914 1.00 91.07 N
554
+ ATOM 554 NZ LYS A 70 4.938 -11.100 -15.130 1.00 64.31 N
555
+ ATOM 555 O LYS A 70 -1.627 -8.513 -15.982 1.00 88.46 O
556
+ ATOM 556 C GLY A 71 -3.625 -8.316 -13.305 1.00 92.47 C
557
+ ATOM 557 CA GLY A 71 -3.683 -9.326 -14.436 1.00 92.28 C
558
+ ATOM 558 N GLY A 71 -2.433 -10.047 -14.624 1.00 92.28 N
559
+ ATOM 559 O GLY A 71 -2.799 -8.438 -12.399 1.00 91.64 O
560
+ ATOM 560 C LEU A 72 -5.382 -6.853 -11.252 1.00 92.98 C
561
+ ATOM 561 CA LEU A 72 -4.550 -6.358 -12.430 1.00 93.54 C
562
+ ATOM 562 CB LEU A 72 -5.185 -5.100 -13.028 1.00 91.82 C
563
+ ATOM 563 CD1 LEU A 72 -3.738 -3.420 -11.858 1.00 75.28 C
564
+ ATOM 564 CD2 LEU A 72 -5.951 -2.720 -12.811 1.00 75.14 C
565
+ ATOM 565 CG LEU A 72 -5.173 -3.850 -12.147 1.00 84.22 C
566
+ ATOM 566 N LEU A 72 -4.418 -7.396 -13.447 1.00 93.58 N
567
+ ATOM 567 O LEU A 72 -6.541 -7.239 -11.424 1.00 91.47 O
568
+ ATOM 568 C ILE A 73 -5.943 -6.159 -7.991 1.00 92.24 C
569
+ ATOM 569 CA ILE A 73 -5.548 -7.344 -8.869 1.00 92.28 C
570
+ ATOM 570 CB ILE A 73 -4.727 -8.367 -8.052 1.00 90.40 C
571
+ ATOM 571 CD1 ILE A 73 -2.551 -8.654 -6.730 1.00 70.20 C
572
+ ATOM 572 CG1 ILE A 73 -3.366 -7.775 -7.668 1.00 73.35 C
573
+ ATOM 573 CG2 ILE A 73 -4.555 -9.671 -8.836 1.00 72.02 C
574
+ ATOM 574 N ILE A 73 -4.804 -6.870 -10.031 1.00 92.62 N
575
+ ATOM 575 O ILE A 73 -6.915 -6.235 -7.236 1.00 90.87 O
576
+ ATOM 576 C VAL A 74 -5.363 -2.713 -8.274 1.00 94.12 C
577
+ ATOM 577 CA VAL A 74 -5.519 -3.898 -7.324 1.00 94.25 C
578
+ ATOM 578 CB VAL A 74 -4.620 -3.709 -6.082 1.00 93.60 C
579
+ ATOM 579 CG1 VAL A 74 -4.868 -2.345 -5.440 1.00 90.40 C
580
+ ATOM 580 CG2 VAL A 74 -4.862 -4.830 -5.072 1.00 90.22 C
581
+ ATOM 581 N VAL A 74 -5.208 -5.138 -8.027 1.00 94.17 N
582
+ ATOM 582 O VAL A 74 -4.375 -2.622 -9.005 1.00 93.43 O
583
+ ATOM 583 C ASP A 75 -6.985 0.428 -8.178 1.00 93.53 C
584
+ ATOM 584 CA ASP A 75 -6.323 -0.665 -9.014 1.00 94.14 C
585
+ ATOM 585 CB ASP A 75 -7.034 -0.801 -10.362 1.00 93.07 C
586
+ ATOM 586 CG ASP A 75 -6.816 0.395 -11.271 1.00 90.42 C
587
+ ATOM 587 N ASP A 75 -6.323 -1.941 -8.305 1.00 94.17 N
588
+ ATOM 588 O ASP A 75 -8.204 0.605 -8.233 1.00 92.18 O
589
+ ATOM 589 OD1 ASP A 75 -5.948 1.243 -10.967 1.00 87.38 O
590
+ ATOM 590 OD2 ASP A 75 -7.519 0.494 -12.300 1.00 87.98 O
591
+ ATOM 591 C GLN A 76 -6.127 3.447 -6.685 1.00 94.22 C
592
+ ATOM 592 CA GLN A 76 -6.640 2.038 -6.403 1.00 94.46 C
593
+ ATOM 593 CB GLN A 76 -6.214 1.594 -5.004 1.00 93.78 C
594
+ ATOM 594 CD GLN A 76 -8.210 2.666 -3.875 1.00 86.50 C
595
+ ATOM 595 CG GLN A 76 -6.701 2.514 -3.891 1.00 90.84 C
596
+ ATOM 596 N GLN A 76 -6.163 1.094 -7.408 1.00 94.43 N
597
+ ATOM 597 NE2 GLN A 76 -8.685 3.884 -4.121 1.00 85.49 N
598
+ ATOM 598 O GLN A 76 -4.918 3.686 -6.676 1.00 93.40 O
599
+ ATOM 599 OE1 GLN A 76 -8.943 1.700 -3.645 1.00 86.24 O
600
+ ATOM 600 C THR A 77 -6.132 6.321 -5.743 1.00 94.03 C
601
+ ATOM 601 CA THR A 77 -6.632 5.767 -7.074 1.00 93.84 C
602
+ ATOM 602 CB THR A 77 -7.766 6.660 -7.611 1.00 92.29 C
603
+ ATOM 603 CG2 THR A 77 -8.304 6.129 -8.936 1.00 77.87 C
604
+ ATOM 604 N THR A 77 -7.071 4.385 -6.927 1.00 93.78 N
605
+ ATOM 605 O THR A 77 -6.684 6.004 -4.687 1.00 93.47 O
606
+ ATOM 606 OG1 THR A 77 -8.833 6.693 -6.655 1.00 79.66 O
607
+ ATOM 607 C ILE A 78 -5.453 8.479 -3.783 1.00 93.73 C
608
+ ATOM 608 CA ILE A 78 -4.489 7.629 -4.606 1.00 94.11 C
609
+ ATOM 609 CB ILE A 78 -3.211 8.435 -4.934 1.00 93.14 C
610
+ ATOM 610 CD1 ILE A 78 -1.885 7.325 -3.043 1.00 81.20 C
611
+ ATOM 611 CG1 ILE A 78 -2.362 8.627 -3.672 1.00 85.59 C
612
+ ATOM 612 CG2 ILE A 78 -3.571 9.783 -5.564 1.00 84.84 C
613
+ ATOM 613 N ILE A 78 -5.151 7.163 -5.818 1.00 94.04 N
614
+ ATOM 614 O ILE A 78 -5.391 8.485 -2.551 1.00 92.73 O
615
+ ATOM 615 C GLU A 79 -8.339 9.267 -2.804 1.00 92.61 C
616
+ ATOM 616 CA GLU A 79 -7.421 10.042 -3.744 1.00 92.57 C
617
+ ATOM 617 CB GLU A 79 -8.251 10.801 -4.783 1.00 91.14 C
618
+ ATOM 618 CD GLU A 79 -8.218 12.374 -6.778 1.00 79.04 C
619
+ ATOM 619 CG GLU A 79 -7.451 11.812 -5.592 1.00 83.79 C
620
+ ATOM 620 N GLU A 79 -6.466 9.155 -4.400 1.00 92.74 N
621
+ ATOM 621 O GLU A 79 -8.895 9.835 -1.862 1.00 91.75 O
622
+ ATOM 622 OE1 GLU A 79 -9.343 11.899 -7.052 1.00 75.30 O
623
+ ATOM 623 OE2 GLU A 79 -7.688 13.296 -7.438 1.00 72.34 O
624
+ ATOM 624 C LYS A 80 -8.572 6.563 -1.066 1.00 93.52 C
625
+ ATOM 625 CA LYS A 80 -9.307 7.228 -2.226 1.00 93.15 C
626
+ ATOM 626 CB LYS A 80 -10.004 6.170 -3.081 1.00 91.90 C
627
+ ATOM 627 CD LYS A 80 -11.752 5.641 -4.813 1.00 81.92 C
628
+ ATOM 628 CE LYS A 80 -12.766 6.215 -5.795 1.00 74.54 C
629
+ ATOM 629 CG LYS A 80 -10.973 6.742 -4.105 1.00 86.23 C
630
+ ATOM 630 N LYS A 80 -8.391 8.023 -3.040 1.00 93.09 N
631
+ ATOM 631 NZ LYS A 80 -13.433 5.143 -6.592 1.00 67.47 N
632
+ ATOM 632 O LYS A 80 -9.194 5.909 -0.224 1.00 92.96 O
633
+ ATOM 633 C VAL A 81 -6.491 7.079 1.210 1.00 94.95 C
634
+ ATOM 634 CA VAL A 81 -6.485 6.076 0.059 1.00 95.24 C
635
+ ATOM 635 CB VAL A 81 -5.033 5.758 -0.363 1.00 94.73 C
636
+ ATOM 636 CG1 VAL A 81 -4.235 5.209 0.818 1.00 92.56 C
637
+ ATOM 637 CG2 VAL A 81 -5.021 4.768 -1.527 1.00 92.25 C
638
+ ATOM 638 N VAL A 81 -7.266 6.599 -1.057 1.00 95.11 N
639
+ ATOM 639 O VAL A 81 -6.146 8.248 1.024 1.00 94.29 O
640
+ ATOM 640 C SER A 82 -5.762 7.474 4.479 1.00 95.03 C
641
+ ATOM 641 CA SER A 82 -6.971 7.546 3.552 1.00 95.16 C
642
+ ATOM 642 CB SER A 82 -8.245 7.228 4.335 1.00 94.55 C
643
+ ATOM 643 N SER A 82 -6.825 6.635 2.420 1.00 95.22 N
644
+ ATOM 644 O SER A 82 -5.483 8.421 5.217 1.00 94.36 O
645
+ ATOM 645 OG SER A 82 -8.192 5.917 4.870 1.00 86.71 O
646
+ ATOM 646 C PHE A 83 -3.151 4.956 4.932 1.00 95.50 C
647
+ ATOM 647 CA PHE A 83 -4.024 6.107 5.418 1.00 95.46 C
648
+ ATOM 648 CB PHE A 83 -4.562 5.803 6.820 1.00 95.12 C
649
+ ATOM 649 CD1 PHE A 83 -2.929 6.919 8.374 1.00 91.58 C
650
+ ATOM 650 CD2 PHE A 83 -3.061 4.532 8.384 1.00 91.42 C
651
+ ATOM 651 CE1 PHE A 83 -1.942 6.873 9.356 1.00 91.34 C
652
+ ATOM 652 CE2 PHE A 83 -2.075 4.478 9.366 1.00 91.20 C
653
+ ATOM 653 CG PHE A 83 -3.496 5.751 7.880 1.00 93.89 C
654
+ ATOM 654 CZ PHE A 83 -1.516 5.650 9.849 1.00 90.42 C
655
+ ATOM 655 N PHE A 83 -5.122 6.352 4.489 1.00 95.23 N
656
+ ATOM 656 O PHE A 83 -3.631 4.053 4.243 1.00 95.22 O
657
+ ATOM 657 C CYS A 84 0.015 3.771 6.129 1.00 94.95 C
658
+ ATOM 658 CA CYS A 84 -1.016 3.869 5.011 1.00 95.43 C
659
+ ATOM 659 CB CYS A 84 -0.309 4.013 3.663 1.00 94.74 C
660
+ ATOM 660 N CYS A 84 -1.925 4.987 5.233 1.00 95.38 N
661
+ ATOM 661 O CYS A 84 0.332 4.772 6.774 1.00 93.96 O
662
+ ATOM 662 SG CYS A 84 0.876 5.375 3.606 1.00 93.90 S
663
+ ATOM 663 C ALA A 85 2.230 1.079 7.278 1.00 94.10 C
664
+ ATOM 664 CA ALA A 85 1.461 2.384 7.460 1.00 94.10 C
665
+ ATOM 665 CB ALA A 85 0.770 2.406 8.821 1.00 93.24 C
666
+ ATOM 666 N ALA A 85 0.483 2.570 6.390 1.00 94.14 N
667
+ ATOM 667 O ALA A 85 1.678 0.087 6.798 1.00 93.50 O
668
+ ATOM 668 C PRO A 86 3.741 -0.861 9.039 1.00 92.90 C
669
+ ATOM 669 CA PRO A 86 4.188 -0.114 7.784 1.00 93.49 C
670
+ ATOM 670 CB PRO A 86 5.659 0.298 7.890 1.00 92.80 C
671
+ ATOM 671 CD PRO A 86 4.418 2.385 8.039 1.00 90.26 C
672
+ ATOM 672 CG PRO A 86 5.633 1.649 8.529 1.00 91.34 C
673
+ ATOM 673 N PRO A 86 3.493 1.163 7.608 1.00 93.53 N
674
+ ATOM 674 O PRO A 86 3.144 -0.264 9.938 1.00 91.86 O
675
+ ATOM 675 C ASP A 87 4.890 -2.946 11.156 1.00 91.19 C
676
+ ATOM 676 CA ASP A 87 3.713 -2.973 10.184 1.00 92.35 C
677
+ ATOM 677 CB ASP A 87 3.403 -4.414 9.772 1.00 91.34 C
678
+ ATOM 678 CG ASP A 87 2.879 -5.259 10.920 1.00 87.75 C
679
+ ATOM 679 N ASP A 87 3.983 -2.151 9.008 1.00 92.76 N
680
+ ATOM 680 O ASP A 87 5.998 -3.361 10.809 1.00 89.05 O
681
+ ATOM 681 OD1 ASP A 87 2.804 -4.757 12.062 1.00 84.27 O
682
+ ATOM 682 OD2 ASP A 87 2.542 -6.439 10.681 1.00 83.98 O
683
+ ATOM 683 C ARG A 88 6.214 -3.784 13.827 1.00 88.64 C
684
+ ATOM 684 CA ARG A 88 5.831 -2.398 13.320 1.00 89.13 C
685
+ ATOM 685 CB ARG A 88 5.429 -1.503 14.494 1.00 87.36 C
686
+ ATOM 686 CD ARG A 88 4.770 0.790 15.302 1.00 79.41 C
687
+ ATOM 687 CG ARG A 88 5.256 -0.039 14.122 1.00 81.42 C
688
+ ATOM 688 CZ ARG A 88 2.818 0.824 16.822 1.00 69.93 C
689
+ ATOM 689 N ARG A 88 4.748 -2.479 12.344 1.00 89.79 N
690
+ ATOM 690 NE ARG A 88 3.420 0.410 15.709 1.00 73.38 N
691
+ ATOM 691 NH1 ARG A 88 3.440 1.641 17.665 1.00 63.12 N
692
+ ATOM 692 NH2 ARG A 88 1.587 0.416 17.093 1.00 60.23 N
693
+ ATOM 693 O ARG A 88 7.329 -3.986 14.313 1.00 86.79 O
694
+ ATOM 694 C ASN A 89 6.030 -6.986 13.094 1.00 86.29 C
695
+ ATOM 695 CA ASN A 89 5.456 -6.065 14.167 1.00 86.44 C
696
+ ATOM 696 CB ASN A 89 4.152 -6.642 14.718 1.00 84.49 C
697
+ ATOM 697 CG ASN A 89 3.624 -5.862 15.906 1.00 77.63 C
698
+ ATOM 698 N ASN A 89 5.244 -4.714 13.656 1.00 87.03 N
699
+ ATOM 699 ND2 ASN A 89 2.329 -5.569 15.896 1.00 70.63 N
700
+ ATOM 700 O ASN A 89 6.314 -8.155 13.360 1.00 84.28 O
701
+ ATOM 701 OD1 ASN A 89 4.374 -5.525 16.825 1.00 72.47 O
702
+ ATOM 702 C HIS A 90 7.437 -6.299 9.826 1.00 89.92 C
703
+ ATOM 703 CA HIS A 90 6.704 -7.212 10.805 1.00 89.74 C
704
+ ATOM 704 CB HIS A 90 5.582 -7.960 10.083 1.00 87.69 C
705
+ ATOM 705 CD2 HIS A 90 5.864 -10.433 9.354 1.00 73.88 C
706
+ ATOM 706 CE1 HIS A 90 7.125 -10.098 7.592 1.00 73.90 C
707
+ ATOM 707 CG HIS A 90 6.063 -9.099 9.242 1.00 80.55 C
708
+ ATOM 708 N HIS A 90 6.172 -6.457 11.933 1.00 89.57 N
709
+ ATOM 709 ND1 HIS A 90 6.856 -8.919 8.130 1.00 71.30 N
710
+ ATOM 710 NE2 HIS A 90 6.534 -11.033 8.316 1.00 72.10 N
711
+ ATOM 711 O HIS A 90 6.816 -5.465 9.165 1.00 88.54 O
712
+ ATOM 712 C GLU A 91 9.112 -5.408 7.543 1.00 91.61 C
713
+ ATOM 713 CA GLU A 91 9.572 -5.555 8.992 1.00 91.25 C
714
+ ATOM 714 CB GLU A 91 11.022 -6.043 9.037 1.00 89.30 C
715
+ ATOM 715 CD GLU A 91 13.428 -5.629 8.335 1.00 76.97 C
716
+ ATOM 716 CG GLU A 91 12.018 -5.068 8.426 1.00 81.21 C
717
+ ATOM 717 N GLU A 91 8.701 -6.463 9.732 1.00 90.93 N
718
+ ATOM 718 O GLU A 91 9.262 -4.342 6.944 1.00 90.76 O
719
+ ATOM 719 OE1 GLU A 91 13.673 -6.741 8.855 1.00 74.23 O
720
+ ATOM 720 OE2 GLU A 91 14.294 -4.951 7.739 1.00 70.48 O
721
+ ATOM 721 C ARG A 92 6.620 -5.985 5.351 1.00 93.45 C
722
+ ATOM 722 CA ARG A 92 8.096 -6.303 5.561 1.00 93.27 C
723
+ ATOM 723 CB ARG A 92 8.443 -7.642 4.907 1.00 91.96 C
724
+ ATOM 724 CD ARG A 92 10.226 -9.241 4.128 1.00 83.12 C
725
+ ATOM 725 CG ARG A 92 9.934 -7.931 4.848 1.00 86.96 C
726
+ ATOM 726 CZ ARG A 92 12.202 -10.653 3.664 1.00 78.34 C
727
+ ATOM 727 N ARG A 92 8.430 -6.324 6.982 1.00 92.85 N
728
+ ATOM 728 NE ARG A 92 11.661 -9.497 4.038 1.00 79.51 N
729
+ ATOM 729 NH1 ARG A 92 11.435 -11.688 3.339 1.00 62.72 N
730
+ ATOM 730 NH2 ARG A 92 13.520 -10.777 3.617 1.00 58.65 N
731
+ ATOM 731 O ARG A 92 6.138 -5.972 4.216 1.00 92.83 O
732
+ ATOM 732 C GLY A 93 4.107 -4.182 6.040 1.00 94.81 C
733
+ ATOM 733 CA GLY A 93 4.472 -5.620 6.359 1.00 94.59 C
734
+ ATOM 734 N GLY A 93 5.907 -5.845 6.421 1.00 94.28 N
735
+ ATOM 735 O GLY A 93 4.718 -3.250 6.566 1.00 94.50 O
736
+ ATOM 736 C PHE A 94 1.085 -2.835 4.544 1.00 95.58 C
737
+ ATOM 737 CA PHE A 94 2.583 -2.758 4.812 1.00 95.45 C
738
+ ATOM 738 CB PHE A 94 3.317 -2.270 3.559 1.00 95.05 C
739
+ ATOM 739 CD1 PHE A 94 2.811 0.181 3.289 1.00 90.81 C
740
+ ATOM 740 CD2 PHE A 94 1.800 -1.364 1.770 1.00 90.78 C
741
+ ATOM 741 CE1 PHE A 94 2.176 1.239 2.643 1.00 90.68 C
742
+ ATOM 742 CE2 PHE A 94 1.163 -0.312 1.119 1.00 90.67 C
743
+ ATOM 743 CG PHE A 94 2.629 -1.128 2.859 1.00 93.67 C
744
+ ATOM 744 CZ PHE A 94 1.351 0.989 1.559 1.00 89.79 C
745
+ ATOM 745 N PHE A 94 3.101 -4.053 5.238 1.00 95.17 N
746
+ ATOM 746 O PHE A 94 0.589 -3.853 4.056 1.00 95.38 O
747
+ ATOM 747 C SER A 95 -1.465 -0.315 4.268 1.00 96.08 C
748
+ ATOM 748 CA SER A 95 -1.013 -1.745 4.540 1.00 96.03 C
749
+ ATOM 749 CB SER A 95 -1.820 -2.330 5.701 1.00 95.42 C
750
+ ATOM 750 N SER A 95 0.416 -1.803 4.830 1.00 95.94 N
751
+ ATOM 751 O SER A 95 -0.792 0.640 4.663 1.00 95.82 O
752
+ ATOM 752 OG SER A 95 -1.595 -1.595 6.891 1.00 80.56 O
753
+ ATOM 753 C TYR A 96 -4.746 0.915 3.560 1.00 96.46 C
754
+ ATOM 754 CA TYR A 96 -3.237 1.090 3.443 1.00 96.47 C
755
+ ATOM 755 CB TYR A 96 -2.886 1.717 2.090 1.00 96.26 C
756
+ ATOM 756 CD1 TYR A 96 -2.785 0.089 0.162 1.00 94.85 C
757
+ ATOM 757 CD2 TYR A 96 -4.830 1.262 0.548 1.00 94.57 C
758
+ ATOM 758 CE1 TYR A 96 -3.355 -0.562 -0.925 1.00 93.68 C
759
+ ATOM 759 CE2 TYR A 96 -5.411 0.615 -0.538 1.00 93.58 C
760
+ ATOM 760 CG TYR A 96 -3.512 1.010 0.913 1.00 95.79 C
761
+ ATOM 761 CZ TYR A 96 -4.668 -0.294 -1.266 1.00 92.98 C
762
+ ATOM 762 N TYR A 96 -2.550 -0.186 3.609 1.00 96.42 N
763
+ ATOM 763 O TYR A 96 -5.269 -0.182 3.348 1.00 96.20 O
764
+ ATOM 764 OH TYR A 96 -5.239 -0.937 -2.342 1.00 91.57 O
765
+ ATOM 765 C ILE A 97 -7.436 2.867 2.913 1.00 96.04 C
766
+ ATOM 766 CA ILE A 97 -6.841 2.006 4.026 1.00 96.27 C
767
+ ATOM 767 CB ILE A 97 -7.272 2.544 5.408 1.00 96.00 C
768
+ ATOM 768 CD1 ILE A 97 -6.943 2.196 7.926 1.00 93.92 C
769
+ ATOM 769 CG1 ILE A 97 -6.734 1.639 6.524 1.00 95.31 C
770
+ ATOM 770 CG2 ILE A 97 -8.795 2.666 5.489 1.00 95.18 C
771
+ ATOM 771 N ILE A 97 -5.389 1.968 3.896 1.00 96.23 N
772
+ ATOM 772 O ILE A 97 -6.938 3.960 2.633 1.00 95.61 O
773
+ ATOM 773 C CYS A 98 -10.642 2.900 1.374 1.00 95.06 C
774
+ ATOM 774 CA CYS A 98 -9.130 3.053 1.253 1.00 95.48 C
775
+ ATOM 775 CB CYS A 98 -8.670 2.582 -0.128 1.00 94.90 C
776
+ ATOM 776 N CYS A 98 -8.444 2.307 2.302 1.00 95.61 N
777
+ ATOM 777 O CYS A 98 -11.126 2.034 2.106 1.00 94.10 O
778
+ ATOM 778 SG CYS A 98 -9.222 0.917 -0.550 1.00 93.49 S
779
+ ATOM 779 C ARG A 99 -13.159 2.989 -0.609 1.00 92.52 C
780
+ ATOM 780 CA ARG A 99 -12.747 3.728 0.660 1.00 93.04 C
781
+ ATOM 781 CB ARG A 99 -13.382 5.121 0.686 1.00 90.69 C
782
+ ATOM 782 CD ARG A 99 -15.390 6.525 1.268 1.00 77.74 C
783
+ ATOM 783 CG ARG A 99 -14.862 5.116 1.035 1.00 80.18 C
784
+ ATOM 784 CZ ARG A 99 -17.504 7.598 1.970 1.00 68.32 C
785
+ ATOM 785 N ARG A 99 -11.295 3.824 0.763 1.00 93.66 N
786
+ ATOM 786 NE ARG A 99 -16.780 6.512 1.716 1.00 73.23 N
787
+ ATOM 787 NH1 ARG A 99 -16.982 8.811 1.826 1.00 63.12 N
788
+ ATOM 788 NH2 ARG A 99 -18.760 7.472 2.374 1.00 59.67 N
789
+ ATOM 789 O ARG A 99 -12.725 3.344 -1.707 1.00 91.01 O
790
+ ATOM 790 C ASP A 100 -15.525 2.037 -2.340 1.00 87.80 C
791
+ ATOM 791 CA ASP A 100 -14.506 1.186 -1.588 1.00 88.65 C
792
+ ATOM 792 CB ASP A 100 -15.144 -0.133 -1.146 1.00 86.32 C
793
+ ATOM 793 CG ASP A 100 -15.729 -0.925 -2.304 1.00 79.00 C
794
+ ATOM 794 N ASP A 100 -13.969 1.904 -0.436 1.00 89.34 N
795
+ ATOM 795 O ASP A 100 -16.412 2.637 -1.728 1.00 85.64 O
796
+ ATOM 796 OD1 ASP A 100 -16.967 -0.930 -2.475 1.00 74.25 O
797
+ ATOM 797 OD2 ASP A 100 -14.944 -1.550 -3.049 1.00 75.13 O
798
+ ATOM 798 C GLY A 101 -17.668 2.643 -4.425 1.00 83.66 C
799
+ ATOM 799 CA GLY A 101 -16.216 3.082 -4.398 1.00 83.52 C
800
+ ATOM 800 N GLY A 101 -15.366 2.199 -3.615 1.00 83.81 N
801
+ ATOM 801 O GLY A 101 -18.569 3.473 -4.555 1.00 81.22 O
802
+ ATOM 802 C THR A 102 -19.914 0.732 -3.081 1.00 85.53 C
803
+ ATOM 803 CA THR A 102 -19.210 0.792 -4.434 1.00 85.04 C
804
+ ATOM 804 CB THR A 102 -19.167 -0.615 -5.056 1.00 82.44 C
805
+ ATOM 805 CG2 THR A 102 -20.573 -1.157 -5.291 1.00 72.16 C
806
+ ATOM 806 N THR A 102 -17.870 1.351 -4.295 1.00 85.01 N
807
+ ATOM 807 O THR A 102 -21.034 1.226 -2.936 1.00 84.33 O
808
+ ATOM 808 OG1 THR A 102 -18.473 -0.556 -6.309 1.00 75.35 O
809
+ ATOM 809 C THR A 103 -19.742 1.223 0.151 1.00 86.55 C
810
+ ATOM 810 CA THR A 103 -20.001 0.071 -0.814 1.00 87.32 C
811
+ ATOM 811 CB THR A 103 -19.493 -1.245 -0.194 1.00 85.60 C
812
+ ATOM 812 CG2 THR A 103 -19.709 -2.420 -1.143 1.00 81.27 C
813
+ ATOM 813 N THR A 103 -19.372 0.325 -2.105 1.00 87.51 N
814
+ ATOM 814 O THR A 103 -20.399 1.331 1.189 1.00 84.42 O
815
+ ATOM 815 OG1 THR A 103 -18.093 -1.124 0.087 1.00 81.63 O
816
+ ATOM 816 C ARG A 104 -17.813 2.711 1.944 1.00 89.19 C
817
+ ATOM 817 CA ARG A 104 -18.386 3.163 0.605 1.00 89.29 C
818
+ ATOM 818 CB ARG A 104 -19.574 4.100 0.833 1.00 85.90 C
819
+ ATOM 819 CD ARG A 104 -19.225 5.761 -1.028 1.00 72.81 C
820
+ ATOM 820 CG ARG A 104 -20.143 4.696 -0.444 1.00 76.31 C
821
+ ATOM 821 CZ ARG A 104 -18.494 8.056 -0.470 1.00 65.26 C
822
+ ATOM 822 N ARG A 104 -18.784 2.018 -0.208 1.00 89.55 N
823
+ ATOM 823 NE ARG A 104 -19.248 6.986 -0.234 1.00 65.73 N
824
+ ATOM 824 NH1 ARG A 104 -17.640 8.073 -1.486 1.00 52.84 N
825
+ ATOM 825 NH2 ARG A 104 -18.594 9.117 0.316 1.00 47.88 N
826
+ ATOM 826 O ARG A 104 -17.718 3.502 2.884 1.00 86.96 O
827
+ ATOM 827 C ARG A 105 -15.423 1.116 3.220 1.00 93.87 C
828
+ ATOM 828 CA ARG A 105 -16.935 0.926 3.249 1.00 93.38 C
829
+ ATOM 829 CB ARG A 105 -17.274 -0.556 3.424 1.00 91.77 C
830
+ ATOM 830 CD ARG A 105 -19.042 -2.317 3.766 1.00 82.45 C
831
+ ATOM 831 CG ARG A 105 -18.752 -0.827 3.656 1.00 84.71 C
832
+ ATOM 832 CZ ARG A 105 -21.021 -3.776 4.027 1.00 74.16 C
833
+ ATOM 833 N ARG A 105 -17.554 1.453 2.037 1.00 93.18 N
834
+ ATOM 834 NE ARG A 105 -20.452 -2.574 4.042 1.00 78.33 N
835
+ ATOM 835 NH1 ARG A 105 -20.308 -4.861 3.747 1.00 68.52 N
836
+ ATOM 836 NH2 ARG A 105 -22.314 -3.895 4.293 1.00 64.85 N
837
+ ATOM 837 O ARG A 105 -14.820 1.179 2.147 1.00 93.50 O
838
+ ATOM 838 C TRP A 106 -12.794 -0.148 4.433 1.00 94.77 C
839
+ ATOM 839 CA TRP A 106 -13.413 1.243 4.522 1.00 95.07 C
840
+ ATOM 840 CB TRP A 106 -13.013 1.910 5.840 1.00 94.35 C
841
+ ATOM 841 CD1 TRP A 106 -14.474 3.793 6.794 1.00 84.13 C
842
+ ATOM 842 CD2 TRP A 106 -12.989 4.463 5.257 1.00 85.46 C
843
+ ATOM 843 CE2 TRP A 106 -13.724 5.587 5.697 1.00 88.21 C
844
+ ATOM 844 CE3 TRP A 106 -11.992 4.641 4.289 1.00 87.50 C
845
+ ATOM 845 CG TRP A 106 -13.485 3.328 5.973 1.00 91.01 C
846
+ ATOM 846 CH2 TRP A 106 -12.512 7.017 4.251 1.00 85.64 C
847
+ ATOM 847 CZ2 TRP A 106 -13.492 6.871 5.198 1.00 87.27 C
848
+ ATOM 848 CZ3 TRP A 106 -11.764 5.919 3.794 1.00 86.51 C
849
+ ATOM 849 N TRP A 106 -14.866 1.175 4.402 1.00 94.46 N
850
+ ATOM 850 NE1 TRP A 106 -14.621 5.151 6.633 1.00 89.22 N
851
+ ATOM 851 O TRP A 106 -13.234 -1.075 5.118 1.00 94.08 O
852
+ ATOM 852 C MET A 107 -9.646 -1.285 3.660 1.00 95.27 C
853
+ ATOM 853 CA MET A 107 -11.132 -1.485 3.382 1.00 95.14 C
854
+ ATOM 854 CB MET A 107 -11.330 -2.006 1.958 1.00 94.35 C
855
+ ATOM 855 CE MET A 107 -13.004 -4.892 1.982 1.00 80.52 C
856
+ ATOM 856 CG MET A 107 -12.791 -2.135 1.550 1.00 90.13 C
857
+ ATOM 857 N MET A 107 -11.872 -0.243 3.582 1.00 95.02 N
858
+ ATOM 858 O MET A 107 -9.058 -0.290 3.231 1.00 94.97 O
859
+ ATOM 859 SD MET A 107 -13.707 -3.336 2.593 1.00 86.65 S
860
+ ATOM 860 C CYS A 108 -6.921 -3.295 3.792 1.00 95.55 C
861
+ ATOM 861 CA CYS A 108 -7.607 -2.197 4.595 1.00 95.67 C
862
+ ATOM 862 CB CYS A 108 -7.307 -2.377 6.083 1.00 95.17 C
863
+ ATOM 863 N CYS A 108 -9.047 -2.200 4.359 1.00 95.50 N
864
+ ATOM 864 O CYS A 108 -7.196 -4.480 3.990 1.00 95.13 O
865
+ ATOM 865 SG CYS A 108 -5.566 -2.158 6.505 1.00 92.95 S
866
+ ATOM 866 C HIS A 109 -3.987 -4.100 2.700 1.00 95.69 C
867
+ ATOM 867 CA HIS A 109 -5.328 -3.810 2.036 1.00 95.72 C
868
+ ATOM 868 CB HIS A 109 -5.105 -3.237 0.634 1.00 95.26 C
869
+ ATOM 869 CD2 HIS A 109 -7.430 -2.339 -0.089 1.00 88.74 C
870
+ ATOM 870 CE1 HIS A 109 -7.773 -3.689 -1.782 1.00 88.86 C
871
+ ATOM 871 CG HIS A 109 -6.354 -3.155 -0.185 1.00 93.40 C
872
+ ATOM 872 N HIS A 109 -6.128 -2.894 2.841 1.00 95.60 N
873
+ ATOM 873 ND1 HIS A 109 -6.598 -3.991 -1.253 1.00 88.56 N
874
+ ATOM 874 NE2 HIS A 109 -8.298 -2.690 -1.093 1.00 89.56 N
875
+ ATOM 875 O HIS A 109 -3.323 -3.187 3.197 1.00 95.41 O
876
+ ATOM 876 C GLY A 110 -1.345 -6.399 2.339 1.00 95.54 C
877
+ ATOM 877 CA GLY A 110 -2.346 -5.787 3.301 1.00 95.52 C
878
+ ATOM 878 N GLY A 110 -3.586 -5.386 2.657 1.00 95.41 N
879
+ ATOM 879 O GLY A 110 -1.725 -7.119 1.414 1.00 95.24 O
880
+ ATOM 880 C PHE A 111 2.168 -7.082 2.608 1.00 95.06 C
881
+ ATOM 881 CA PHE A 111 0.984 -6.635 1.759 1.00 95.39 C
882
+ ATOM 882 CB PHE A 111 1.420 -5.530 0.792 1.00 95.13 C
883
+ ATOM 883 CD1 PHE A 111 0.135 -5.505 -1.370 1.00 92.86 C
884
+ ATOM 884 CD2 PHE A 111 -0.562 -4.041 0.386 1.00 92.51 C
885
+ ATOM 885 CE1 PHE A 111 -0.893 -5.030 -2.182 1.00 91.96 C
886
+ ATOM 886 CE2 PHE A 111 -1.592 -3.561 -0.419 1.00 92.23 C
887
+ ATOM 887 CG PHE A 111 0.309 -5.015 -0.082 1.00 94.44 C
888
+ ATOM 888 CZ PHE A 111 -1.755 -4.056 -1.703 1.00 91.42 C
889
+ ATOM 889 N PHE A 111 -0.113 -6.175 2.602 1.00 95.37 N
890
+ ATOM 890 O PHE A 111 2.362 -6.589 3.721 1.00 94.45 O
891
+ ATOM 891 C LEU A 112 5.355 -7.914 1.386 1.00 94.37 C
892
+ ATOM 892 CA LEU A 112 4.347 -8.227 2.487 1.00 94.43 C
893
+ ATOM 893 CB LEU A 112 4.482 -9.690 2.917 1.00 93.50 C
894
+ ATOM 894 CD1 LEU A 112 3.687 -11.657 4.255 1.00 80.37 C
895
+ ATOM 895 CD2 LEU A 112 3.916 -9.408 5.346 1.00 79.35 C
896
+ ATOM 896 CG LEU A 112 3.573 -10.148 4.058 1.00 89.00 C
897
+ ATOM 897 N LEU A 112 2.986 -7.950 2.040 1.00 94.49 N
898
+ ATOM 898 O LEU A 112 5.250 -8.437 0.274 1.00 93.78 O
899
+ ATOM 899 C ALA A 113 8.193 -7.940 0.537 1.00 93.68 C
900
+ ATOM 900 CA ALA A 113 7.300 -6.716 0.716 1.00 94.10 C
901
+ ATOM 901 CB ALA A 113 8.129 -5.520 1.179 1.00 93.32 C
902
+ ATOM 902 N ALA A 113 6.222 -6.986 1.665 1.00 94.17 N
903
+ ATOM 903 O ALA A 113 8.505 -8.636 1.506 1.00 92.70 O
904
+ ATOM 904 C CYS A 114 10.945 -9.034 -0.613 1.00 91.56 C
905
+ ATOM 905 CA CYS A 114 9.483 -9.372 -0.881 1.00 93.03 C
906
+ ATOM 906 CB CYS A 114 9.320 -9.865 -2.319 1.00 91.89 C
907
+ ATOM 907 N CYS A 114 8.626 -8.218 -0.635 1.00 93.44 N
908
+ ATOM 908 O CYS A 114 11.670 -9.828 -0.010 1.00 88.66 O
909
+ ATOM 909 SG CYS A 114 7.679 -10.528 -2.679 1.00 88.46 S
910
+ ATOM 910 C LYS A 115 12.999 -6.246 -0.077 1.00 88.28 C
911
+ ATOM 911 CA LYS A 115 12.838 -7.530 -0.887 1.00 88.74 C
912
+ ATOM 912 CB LYS A 115 13.471 -7.361 -2.268 1.00 86.43 C
913
+ ATOM 913 CD LYS A 115 14.186 -8.416 -4.438 1.00 75.23 C
914
+ ATOM 914 CE LYS A 115 14.231 -9.697 -5.261 1.00 67.04 C
915
+ ATOM 915 CG LYS A 115 13.544 -8.647 -3.076 1.00 78.00 C
916
+ ATOM 916 N LYS A 115 11.431 -7.901 -1.009 1.00 89.59 N
917
+ ATOM 917 NZ LYS A 115 14.779 -9.457 -6.630 1.00 61.76 N
918
+ ATOM 918 O LYS A 115 13.999 -6.068 0.622 1.00 86.13 O
919
+ ATOM 919 C ASP A 116 11.486 -4.202 1.955 1.00 90.12 C
920
+ ATOM 920 CA ASP A 116 12.121 -4.167 0.567 1.00 90.09 C
921
+ ATOM 921 CB ASP A 116 11.431 -3.112 -0.301 1.00 88.98 C
922
+ ATOM 922 CG ASP A 116 12.078 -2.952 -1.666 1.00 85.25 C
923
+ ATOM 923 N ASP A 116 12.058 -5.478 -0.073 1.00 90.21 N
924
+ ATOM 924 O ASP A 116 11.038 -5.256 2.412 1.00 88.63 O
925
+ ATOM 925 OD1 ASP A 116 13.232 -2.479 -1.742 1.00 81.93 O
926
+ ATOM 926 OD2 ASP A 116 11.425 -3.299 -2.674 1.00 80.25 O
927
+ ATOM 927 C SER A 117 9.464 -2.348 3.766 1.00 92.30 C
928
+ ATOM 928 CA SER A 117 10.851 -2.963 3.916 1.00 91.96 C
929
+ ATOM 929 CB SER A 117 11.690 -2.119 4.875 1.00 90.98 C
930
+ ATOM 930 N SER A 117 11.518 -3.085 2.624 1.00 91.70 N
931
+ ATOM 931 O SER A 117 9.188 -1.656 2.783 1.00 91.73 O
932
+ ATOM 932 OG SER A 117 11.735 -0.768 4.449 1.00 85.66 O
933
+ ATOM 933 C GLY A 118 7.467 -0.526 4.950 1.00 93.09 C
934
+ ATOM 934 CA GLY A 118 7.310 -2.029 4.818 1.00 93.19 C
935
+ ATOM 935 N GLY A 118 8.581 -2.733 4.750 1.00 92.89 N
936
+ ATOM 936 O GLY A 118 6.635 0.236 4.454 1.00 92.35 O
937
+ ATOM 937 C GLU A 119 9.037 1.999 4.378 1.00 92.48 C
938
+ ATOM 938 CA GLU A 119 8.792 1.336 5.730 1.00 92.35 C
939
+ ATOM 939 CB GLU A 119 10.001 1.547 6.645 1.00 90.60 C
940
+ ATOM 940 CD GLU A 119 11.279 3.164 8.130 1.00 74.49 C
941
+ ATOM 941 CG GLU A 119 10.215 2.997 7.057 1.00 79.90 C
942
+ ATOM 942 N GLU A 119 8.508 -0.087 5.575 1.00 92.38 N
943
+ ATOM 943 O GLU A 119 8.584 3.121 4.139 1.00 91.68 O
944
+ ATOM 944 OE1 GLU A 119 11.941 2.164 8.489 1.00 69.05 O
945
+ ATOM 945 OE2 GLU A 119 11.452 4.305 8.614 1.00 66.85 O
946
+ ATOM 946 C ARG A 120 8.741 2.021 1.400 1.00 92.66 C
947
+ ATOM 947 CA ARG A 120 10.024 1.919 2.217 1.00 92.21 C
948
+ ATOM 948 CB ARG A 120 11.061 1.083 1.463 1.00 91.12 C
949
+ ATOM 949 CD ARG A 120 12.708 0.934 -0.437 1.00 84.26 C
950
+ ATOM 950 CG ARG A 120 11.598 1.752 0.209 1.00 86.59 C
951
+ ATOM 951 CZ ARG A 120 13.806 0.849 -2.650 1.00 76.97 C
952
+ ATOM 952 N ARG A 120 9.763 1.348 3.534 1.00 92.01 N
953
+ ATOM 953 NE ARG A 120 13.126 1.504 -1.714 1.00 79.98 N
954
+ ATOM 954 NH1 ARG A 120 14.161 -0.418 -2.469 1.00 66.17 N
955
+ ATOM 955 NH2 ARG A 120 14.135 1.464 -3.777 1.00 64.46 N
956
+ ATOM 956 O ARG A 120 8.519 3.013 0.702 1.00 92.27 O
957
+ ATOM 957 C LEU A 121 5.762 2.201 1.333 1.00 94.18 C
958
+ ATOM 958 CA LEU A 121 6.585 1.032 0.804 1.00 94.01 C
959
+ ATOM 959 CB LEU A 121 5.812 -0.276 0.989 1.00 93.06 C
960
+ ATOM 960 CD1 LEU A 121 7.453 -1.921 0.045 1.00 79.59 C
961
+ ATOM 961 CD2 LEU A 121 5.002 -2.465 0.063 1.00 79.38 C
962
+ ATOM 962 CG LEU A 121 6.040 -1.355 -0.070 1.00 88.10 C
963
+ ATOM 963 N LEU A 121 7.878 0.959 1.475 1.00 93.73 N
964
+ ATOM 964 O LEU A 121 5.182 2.961 0.553 1.00 93.79 O
965
+ ATOM 965 C SER A 122 5.554 4.796 2.827 1.00 93.66 C
966
+ ATOM 966 CA SER A 122 5.030 3.436 3.274 1.00 94.03 C
967
+ ATOM 967 CB SER A 122 5.096 3.331 4.798 1.00 93.08 C
968
+ ATOM 968 N SER A 122 5.782 2.350 2.654 1.00 94.14 N
969
+ ATOM 969 O SER A 122 4.772 5.710 2.557 1.00 92.76 O
970
+ ATOM 970 OG SER A 122 4.339 4.364 5.406 1.00 81.86 O
971
+ ATOM 971 C HIS A 123 7.050 6.409 0.823 1.00 93.12 C
972
+ ATOM 972 CA HIS A 123 7.453 6.114 2.264 1.00 92.87 C
973
+ ATOM 973 CB HIS A 123 8.977 6.046 2.379 1.00 91.45 C
974
+ ATOM 974 CD2 HIS A 123 10.002 8.426 2.481 1.00 72.42 C
975
+ ATOM 975 CE1 HIS A 123 10.686 8.560 0.402 1.00 71.53 C
976
+ ATOM 976 CG HIS A 123 9.674 7.265 1.866 1.00 82.79 C
977
+ ATOM 977 N HIS A 123 6.848 4.875 2.738 1.00 92.96 N
978
+ ATOM 978 ND1 HIS A 123 10.113 7.379 0.565 1.00 68.54 N
979
+ ATOM 979 NE2 HIS A 123 10.631 9.215 1.549 1.00 67.63 N
980
+ ATOM 980 O HIS A 123 6.696 7.543 0.492 1.00 92.47 O
981
+ ATOM 981 C ALA A 124 5.276 6.048 -1.602 1.00 94.11 C
982
+ ATOM 982 CA ALA A 124 6.734 5.612 -1.479 1.00 93.88 C
983
+ ATOM 983 CB ALA A 124 6.967 4.324 -2.264 1.00 93.32 C
984
+ ATOM 984 N ALA A 124 7.111 5.431 -0.080 1.00 93.65 N
985
+ ATOM 985 O ALA A 124 4.954 6.946 -2.384 1.00 93.80 O
986
+ ATOM 986 C VAL A 125 2.758 7.209 -0.346 1.00 94.38 C
987
+ ATOM 987 CA VAL A 125 2.946 5.795 -0.892 1.00 94.72 C
988
+ ATOM 988 CB VAL A 125 2.065 4.798 -0.107 1.00 94.35 C
989
+ ATOM 989 CG1 VAL A 125 0.622 5.296 -0.032 1.00 92.92 C
990
+ ATOM 990 CG2 VAL A 125 2.123 3.414 -0.749 1.00 92.58 C
991
+ ATOM 991 N VAL A 125 4.356 5.426 -0.833 1.00 94.63 N
992
+ ATOM 992 O VAL A 125 1.956 7.982 -0.872 1.00 93.63 O
993
+ ATOM 993 C GLY A 126 3.935 9.921 0.146 1.00 92.96 C
994
+ ATOM 994 CA GLY A 126 3.526 8.926 1.216 1.00 93.22 C
995
+ ATOM 995 N GLY A 126 3.526 7.550 0.747 1.00 93.46 N
996
+ ATOM 996 O GLY A 126 3.341 10.996 0.031 1.00 91.96 O
997
+ ATOM 997 C CYS A 127 4.221 10.512 -2.797 1.00 93.07 C
998
+ ATOM 998 CA CYS A 127 5.330 10.397 -1.758 1.00 93.03 C
999
+ ATOM 999 CB CYS A 127 6.593 9.832 -2.408 1.00 91.80 C
1000
+ ATOM 1000 N CYS A 127 4.914 9.559 -0.639 1.00 93.02 N
1001
+ ATOM 1001 O CYS A 127 4.017 11.580 -3.378 1.00 92.29 O
1002
+ ATOM 1002 SG CYS A 127 8.066 9.962 -1.371 1.00 79.67 S
1003
+ ATOM 1003 C ALA A 128 1.349 10.469 -3.557 1.00 93.79 C
1004
+ ATOM 1004 CA ALA A 128 2.432 9.489 -3.999 1.00 94.12 C
1005
+ ATOM 1005 CB ALA A 128 1.844 8.090 -4.166 1.00 93.70 C
1006
+ ATOM 1006 N ALA A 128 3.539 9.465 -3.046 1.00 94.02 N
1007
+ ATOM 1007 O ALA A 128 0.790 11.199 -4.378 1.00 92.99 O
1008
+ ATOM 1008 C PHE A 129 0.569 12.893 -2.009 1.00 92.96 C
1009
+ ATOM 1009 CA PHE A 129 0.104 11.476 -1.693 1.00 93.64 C
1010
+ ATOM 1010 CB PHE A 129 -0.047 11.299 -0.179 1.00 92.92 C
1011
+ ATOM 1011 CD1 PHE A 129 -2.136 9.903 -0.299 1.00 86.41 C
1012
+ ATOM 1012 CD2 PHE A 129 -0.344 9.151 1.093 1.00 86.20 C
1013
+ ATOM 1013 CE1 PHE A 129 -2.890 8.789 0.061 1.00 86.32 C
1014
+ ATOM 1014 CE2 PHE A 129 -1.092 8.035 1.458 1.00 86.83 C
1015
+ ATOM 1015 CG PHE A 129 -0.859 10.094 0.212 1.00 90.49 C
1016
+ ATOM 1016 CZ PHE A 129 -2.364 7.857 0.942 1.00 84.87 C
1017
+ ATOM 1017 N PHE A 129 1.034 10.493 -2.234 1.00 93.68 N
1018
+ ATOM 1018 O PHE A 129 -0.224 13.731 -2.442 1.00 91.69 O
1019
+ ATOM 1019 C ALA A 130 2.319 14.825 -3.495 1.00 91.68 C
1020
+ ATOM 1020 CA ALA A 130 2.405 14.434 -2.023 1.00 91.83 C
1021
+ ATOM 1021 CB ALA A 130 3.853 14.498 -1.541 1.00 90.77 C
1022
+ ATOM 1022 N ALA A 130 1.853 13.100 -1.802 1.00 91.95 N
1023
+ ATOM 1023 O ALA A 130 1.968 15.961 -3.822 1.00 90.76 O
1024
+ ATOM 1024 C VAL A 131 1.144 14.456 -6.218 1.00 91.48 C
1025
+ ATOM 1025 CA VAL A 131 2.581 14.178 -5.785 1.00 91.91 C
1026
+ ATOM 1026 CB VAL A 131 3.155 12.983 -6.580 1.00 91.23 C
1027
+ ATOM 1027 CG1 VAL A 131 2.854 13.131 -8.071 1.00 88.02 C
1028
+ ATOM 1028 CG2 VAL A 131 4.659 12.860 -6.346 1.00 87.61 C
1029
+ ATOM 1029 N VAL A 131 2.626 13.935 -4.347 1.00 92.02 N
1030
+ ATOM 1030 O VAL A 131 0.893 15.374 -7.004 1.00 90.40 O
1031
+ ATOM 1031 C CYS A 132 -1.665 15.266 -5.576 1.00 90.92 C
1032
+ ATOM 1032 CA CYS A 132 -1.173 13.893 -6.020 1.00 92.11 C
1033
+ ATOM 1033 CB CYS A 132 -2.014 12.802 -5.359 1.00 90.74 C
1034
+ ATOM 1034 N CYS A 132 0.239 13.717 -5.700 1.00 92.24 N
1035
+ ATOM 1035 O CYS A 132 -2.397 15.934 -6.308 1.00 88.55 O
1036
+ ATOM 1036 SG CYS A 132 -3.779 12.922 -5.722 1.00 88.36 S
1037
+ ATOM 1037 C LEU A 133 -1.108 18.127 -4.718 1.00 89.23 C
1038
+ ATOM 1038 CA LEU A 133 -1.653 16.979 -3.874 1.00 90.39 C
1039
+ ATOM 1039 CB LEU A 133 -1.175 17.123 -2.428 1.00 87.71 C
1040
+ ATOM 1040 CD1 LEU A 133 -1.250 16.418 -0.022 1.00 67.51 C
1041
+ ATOM 1041 CD2 LEU A 133 -3.386 16.812 -1.280 1.00 67.74 C
1042
+ ATOM 1042 CG LEU A 133 -1.945 16.321 -1.376 1.00 76.23 C
1043
+ ATOM 1043 N LEU A 133 -1.245 15.691 -4.422 1.00 90.76 N
1044
+ ATOM 1044 O LEU A 133 -1.765 19.159 -4.870 1.00 86.99 O
1045
+ ATOM 1045 C GLU A 134 -0.097 19.206 -7.333 1.00 86.75 C
1046
+ ATOM 1046 CA GLU A 134 0.661 19.013 -6.023 1.00 89.09 C
1047
+ ATOM 1047 CB GLU A 134 2.124 18.666 -6.308 1.00 87.18 C
1048
+ ATOM 1048 CD GLU A 134 4.425 18.226 -5.324 1.00 76.64 C
1049
+ ATOM 1049 CG GLU A 134 3.035 18.798 -5.096 1.00 81.01 C
1050
+ ATOM 1050 N GLU A 134 0.040 17.978 -5.202 1.00 89.71 N
1051
+ ATOM 1051 O GLU A 134 -0.054 20.286 -7.928 1.00 83.00 O
1052
+ ATOM 1052 OE1 GLU A 134 4.741 17.838 -6.472 1.00 76.89 O
1053
+ ATOM 1053 OE2 GLU A 134 5.205 18.165 -4.349 1.00 76.53 O
1054
+ ATOM 1054 C ARG A 135 -3.116 18.977 -8.568 1.00 80.40 C
1055
+ ATOM 1055 CA ARG A 135 -1.759 18.326 -8.813 1.00 83.14 C
1056
+ ATOM 1056 CB ARG A 135 -1.947 16.931 -9.415 1.00 80.37 C
1057
+ ATOM 1057 CD ARG A 135 -0.890 14.885 -10.434 1.00 73.90 C
1058
+ ATOM 1058 CG ARG A 135 -0.661 16.301 -9.922 1.00 76.73 C
1059
+ ATOM 1059 CZ ARG A 135 0.477 12.991 -11.245 1.00 69.74 C
1060
+ ATOM 1060 N ARG A 135 -0.983 18.252 -7.580 1.00 84.08 N
1061
+ ATOM 1061 NE ARG A 135 0.356 14.263 -10.873 1.00 67.38 N
1062
+ ATOM 1062 NH1 ARG A 135 -0.573 12.180 -11.238 1.00 62.61 N
1063
+ ATOM 1063 NH2 ARG A 135 1.658 12.528 -11.627 1.00 57.95 N
1064
+ ATOM 1064 O ARG A 135 -3.610 19.730 -9.410 1.00 75.28 O
1065
+ TER 1065 ARG A 135
1066
+ END
1ddm/1ddm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1e8h/1e8h_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1e8h/1e8h_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jr1/1jr1_ligand.mol2 ADDED
@@ -0,0 +1,101 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1jr1_ligand
7
+ 42 43 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 65.4650 77.9460 82.6750 C.2 1 MOA 0.2434
14
+ 2 C2 64.9650 82.3900 86.1740 C.2 1 MOA -0.1022
15
+ 3 C3 65.1840 83.6670 86.5070 C.2 1 MOA -0.0809
16
+ 4 C4 64.2870 84.7070 85.8680 C.3 1 MOA -0.0167
17
+ 5 C5 65.1370 85.5900 84.9630 C.3 1 MOA 0.0086
18
+ 6 C6 65.2530 85.0450 83.5560 C.2 1 MOA 0.0367
19
+ 7 C7 69.7740 80.1380 83.5320 C.3 1 MOA -0.0409
20
+ 8 C8 68.4340 82.9550 84.9680 C.3 1 MOA 0.0570
21
+ 9 C9 66.2890 84.1040 87.4630 C.3 1 MOA -0.0399
22
+ 10 C10 67.7520 78.1120 82.1030 C.3 1 MOA 0.1030
23
+ 11 C11 67.4530 79.0770 83.2290 C.ar 1 MOA -0.0116
24
+ 12 C12 68.3290 79.9770 83.9000 C.ar 1 MOA -0.0226
25
+ 13 C13 67.7890 80.7240 84.9530 C.ar 1 MOA 0.0868
26
+ 14 C14 66.4470 80.5640 85.3340 C.ar 1 MOA 0.0127
27
+ 15 C15 65.5990 79.6820 84.6580 C.ar 1 MOA 0.0929
28
+ 16 C16 66.1280 78.9430 83.5880 C.ar 1 MOA 0.0713
29
+ 17 C17 65.9220 81.2770 86.5480 C.3 1 MOA -0.0208
30
+ 18 O1 64.3260 77.6140 82.5880 O.2 1 MOA -0.3726
31
+ 19 O2 66.4440 77.4740 81.8970 O.3 1 MOA -0.2704
32
+ 20 O3 68.5890 81.6440 85.5490 O.3 1 MOA -0.3293
33
+ 21 O4 64.2880 79.5520 85.1000 O.3 1 MOA -0.3395
34
+ 22 O5 64.2030 84.7050 82.9660 O.co2 1 MOA -0.5688
35
+ 23 O6 66.3930 84.9550 83.0450 O.co2 1 MOA -0.5688
36
+ 24 H1 64.0652 82.1414 85.6132 H 1 MOA 0.0254
37
+ 25 H2 63.8163 85.3214 86.6496 H 1 MOA 0.0430
38
+ 26 H3 63.5068 84.2090 85.2736 H 1 MOA 0.0430
39
+ 27 H4 66.1459 85.6679 85.3943 H 1 MOA 0.0452
40
+ 28 H5 64.6799 86.5894 84.9165 H 1 MOA 0.0452
41
+ 29 H6 70.0135 79.4744 82.6881 H 1 MOA 0.0332
42
+ 30 H7 70.4036 79.8755 84.3950 H 1 MOA 0.0332
43
+ 31 H8 69.9647 81.1821 83.2430 H 1 MOA 0.0332
44
+ 32 H9 69.0996 83.6646 85.4813 H 1 MOA 0.0574
45
+ 33 H10 67.3905 83.2846 85.0798 H 1 MOA 0.0574
46
+ 34 H11 68.6937 82.9158 83.8998 H 1 MOA 0.0574
47
+ 35 H12 66.8322 83.2185 87.8248 H 1 MOA 0.0377
48
+ 36 H13 65.8455 84.6364 88.3173 H 1 MOA 0.0377
49
+ 37 H14 66.9864 84.7721 86.9365 H 1 MOA 0.0377
50
+ 38 H15 68.5143 77.3760 82.3983 H 1 MOA 0.0759
51
+ 39 H16 68.0854 78.6426 81.1989 H 1 MOA 0.0759
52
+ 40 H17 65.3946 80.5529 87.1864 H 1 MOA 0.0442
53
+ 41 H18 66.7689 81.7066 87.1031 H 1 MOA 0.0442
54
+ 42 H19 63.6932 79.7691 84.3918 H 1 MOA 0.2460
55
+ @<TRIPOS>BOND
56
+ 1 16 1 1
57
+ 2 1 18 2
58
+ 3 1 19 1
59
+ 4 2 3 2
60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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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
+ 41 17 40 1
97
+ 42 17 41 1
98
+ 43 21 42 1
99
+ @<TRIPOS>SUBSTRUCTURE
100
+ 1 MOA 1
101
+
1jr1/1jr1_ligand.sdf ADDED
@@ -0,0 +1,93 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1jr1_ligand
2
+ -I-interpret-
3
+
4
+ 43 44 0 0 0 0 0 0 0 0999 V2000
5
+ 65.4650 77.9460 82.6750 C 0 0 0 0 0
6
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7
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8
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9
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10
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11
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12
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13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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23
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24
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25
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26
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27
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28
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29
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30
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31
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32
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33
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34
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35
+ 70.2334 80.8801 84.1849 H 0 0 0 0 0
36
+ 68.6916 82.9147 83.9096 H 0 0 0 0 0
37
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38
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39
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40
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41
+ 66.2643 85.1881 87.5735 H 0 0 0 0 0
42
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43
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44
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45
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1q9m/1q9m_protein_processed_fix.pdb ADDED
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1v2k/1v2k_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1v2k/1v2k_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xuc/1xuc_ligand.mol2 ADDED
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2cv3/2cv3_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ### Created by X-TOOL on Mon Sep 10 21:12:44 2018
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+ $$$$
2flu/2flu_protein_esmfold_aligned_tr_fix.pdb ADDED
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2flu/2flu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff