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Add batch 144

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  1. 1ajp/1ajp_ligand.mol2 +54 -0
  2. 1ajp/1ajp_ligand.sdf +46 -0
  3. 1ajp/1ajp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1ajp/1ajp_protein_processed_fix.pdb +0 -0
  5. 1br6/1br6_ligand.mol2 +86 -0
  6. 1br6/1br6_ligand.sdf +78 -0
  7. 1br6/1br6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1br6/1br6_protein_processed_fix.pdb +0 -0
  9. 1fzk/1fzk_protein_esmfold_aligned_tr_fix.pdb +0 -0
  10. 1fzk/1fzk_protein_processed_fix.pdb +0 -0
  11. 1juj/1juj_ligand.mol2 +118 -0
  12. 1juj/1juj_ligand.sdf +110 -0
  13. 1juj/1juj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  14. 1juj/1juj_protein_processed_fix.pdb +0 -0
  15. 1lhu/1lhu_ligand.mol2 +107 -0
  16. 1lhu/1lhu_ligand.sdf +97 -0
  17. 1lhu/1lhu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 1lhu/1lhu_protein_processed_fix.pdb +0 -0
  19. 1me8/1me8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1me8/1me8_protein_processed_fix.pdb +0 -0
  21. 1o4f/1o4f_protein_esmfold_aligned_tr_fix.pdb +852 -0
  22. 1o4f/1o4f_protein_processed_fix.pdb +0 -0
  23. 1oba/1oba_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1oba/1oba_protein_processed_fix.pdb +0 -0
  25. 1w83/1w83_ligand.mol2 +123 -0
  26. 1w83/1w83_ligand.sdf +113 -0
  27. 1w83/1w83_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1w83/1w83_protein_processed_fix.pdb +0 -0
  29. 1xjd/1xjd_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1xjd/1xjd_protein_processed_fix.pdb +0 -0
  31. 2aof/2aof_ligand.mol2 +360 -0
  32. 2aof/2aof_ligand.sdf +346 -0
  33. 2aof/2aof_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 2aof/2aof_protein_processed_fix.pdb +0 -0
  35. 2hwp/2hwp_ligand.mol2 +94 -0
  36. 2hwp/2hwp_ligand.sdf +84 -0
  37. 2hwp/2hwp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2hwp/2hwp_protein_processed_fix.pdb +0 -0
  39. 2ivz/2ivz_ligand.mol2 +412 -0
  40. 2ivz/2ivz_ligand.sdf +402 -0
  41. 2ivz/2ivz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 2ivz/2ivz_protein_processed_fix.pdb +0 -0
  43. 2qm9/2qm9_ligand.mol2 +135 -0
  44. 2qm9/2qm9_ligand.sdf +125 -0
  45. 2qm9/2qm9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2qm9/2qm9_protein_processed_fix.pdb +0 -0
  47. 2ra0/2ra0_ligand.mol2 +145 -0
  48. 2ra0/2ra0_ligand.sdf +135 -0
  49. 2ra0/2ra0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2ra0/2ra0_protein_processed_fix.pdb +0 -0
1ajp/1ajp_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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1ajp/1ajp_ligand.sdf ADDED
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+ $$$$
1ajp/1ajp_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ajp/1ajp_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1br6/1br6_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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+ ###
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1br6/1br6_ligand.sdf ADDED
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1br6/1br6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1br6/1br6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fzk/1fzk_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fzk/1fzk_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1juj/1juj_ligand.mol2 ADDED
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+ ###
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The diff for this file is too large to render. See raw diff
 
1juj/1juj_protein_processed_fix.pdb ADDED
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1lhu/1lhu_ligand.mol2 ADDED
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1lhu/1lhu_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1lhu/1lhu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1me8/1me8_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1me8/1me8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1o4f/1o4f_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,852 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-28
2
+ ATOM 1 N SER A 1 1.354 14.481 5.767 1.00 0.00 N
3
+ ATOM 2 CA SER A 1 1.989 15.795 5.782 1.00 0.00 C
4
+ ATOM 3 C SER A 1 2.271 16.256 7.209 1.00 0.00 C
5
+ ATOM 4 CB SER A 1 1.110 16.824 5.070 1.00 0.00 C
6
+ ATOM 5 O SER A 1 1.464 16.024 8.112 1.00 0.00 O
7
+ ATOM 6 OG SER A 1 1.644 18.129 5.215 1.00 0.00 O
8
+ ATOM 7 N ILE A 2 3.454 16.706 7.527 1.00 0.00 N
9
+ ATOM 8 CA ILE A 2 3.858 17.179 8.847 1.00 0.00 C
10
+ ATOM 9 C ILE A 2 2.862 18.220 9.350 1.00 0.00 C
11
+ ATOM 10 CB ILE A 2 5.286 17.770 8.823 1.00 0.00 C
12
+ ATOM 11 O ILE A 2 2.635 18.338 10.557 1.00 0.00 O
13
+ ATOM 12 CG1 ILE A 2 5.779 18.031 10.249 1.00 0.00 C
14
+ ATOM 13 CG2 ILE A 2 5.325 19.051 7.985 1.00 0.00 C
15
+ ATOM 14 CD1 ILE A 2 7.282 18.256 10.354 1.00 0.00 C
16
+ ATOM 15 N GLN A 3 2.198 18.924 8.444 1.00 0.00 N
17
+ ATOM 16 CA GLN A 3 1.258 19.992 8.769 1.00 0.00 C
18
+ ATOM 17 C GLN A 3 0.025 19.442 9.480 1.00 0.00 C
19
+ ATOM 18 CB GLN A 3 0.841 20.744 7.504 1.00 0.00 C
20
+ ATOM 19 O GLN A 3 -0.682 20.180 10.169 1.00 0.00 O
21
+ ATOM 20 CG GLN A 3 1.968 21.548 6.868 1.00 0.00 C
22
+ ATOM 21 CD GLN A 3 1.551 22.218 5.572 1.00 0.00 C
23
+ ATOM 22 NE2 GLN A 3 2.436 23.040 5.019 1.00 0.00 N
24
+ ATOM 23 OE1 GLN A 3 0.444 21.997 5.072 1.00 0.00 O
25
+ ATOM 24 N ALA A 4 -0.177 18.194 9.304 1.00 0.00 N
26
+ ATOM 25 CA ALA A 4 -1.373 17.596 9.892 1.00 0.00 C
27
+ ATOM 26 C ALA A 4 -1.125 17.190 11.343 1.00 0.00 C
28
+ ATOM 27 CB ALA A 4 -1.821 16.387 9.074 1.00 0.00 C
29
+ ATOM 28 O ALA A 4 -2.062 16.831 12.061 1.00 0.00 O
30
+ ATOM 29 N GLU A 5 0.117 17.192 11.661 1.00 0.00 N
31
+ ATOM 30 CA GLU A 5 0.451 16.776 13.020 1.00 0.00 C
32
+ ATOM 31 C GLU A 5 0.069 17.849 14.036 1.00 0.00 C
33
+ ATOM 32 CB GLU A 5 1.944 16.455 13.133 1.00 0.00 C
34
+ ATOM 33 O GLU A 5 0.350 19.032 13.833 1.00 0.00 O
35
+ ATOM 34 CG GLU A 5 2.400 15.327 12.219 1.00 0.00 C
36
+ ATOM 35 CD GLU A 5 1.822 13.974 12.604 1.00 0.00 C
37
+ ATOM 36 OE1 GLU A 5 1.432 13.791 13.779 1.00 0.00 O
38
+ ATOM 37 OE2 GLU A 5 1.759 13.088 11.722 1.00 0.00 O
39
+ ATOM 38 N GLU A 6 -0.532 17.424 15.198 1.00 0.00 N
40
+ ATOM 39 CA GLU A 6 -0.973 18.340 16.247 1.00 0.00 C
41
+ ATOM 40 C GLU A 6 0.214 19.039 16.903 1.00 0.00 C
42
+ ATOM 41 CB GLU A 6 -1.792 17.593 17.303 1.00 0.00 C
43
+ ATOM 42 O GLU A 6 0.095 20.177 17.361 1.00 0.00 O
44
+ ATOM 43 CG GLU A 6 -3.135 17.088 16.795 1.00 0.00 C
45
+ ATOM 44 CD GLU A 6 -3.955 16.384 17.864 1.00 0.00 C
46
+ ATOM 45 OE1 GLU A 6 -3.391 16.025 18.923 1.00 0.00 O
47
+ ATOM 46 OE2 GLU A 6 -5.170 16.190 17.641 1.00 0.00 O
48
+ ATOM 47 N TRP A 7 1.310 18.378 16.945 1.00 0.00 N
49
+ ATOM 48 CA TRP A 7 2.488 18.899 17.630 1.00 0.00 C
50
+ ATOM 49 C TRP A 7 3.267 19.848 16.726 1.00 0.00 C
51
+ ATOM 50 CB TRP A 7 3.394 17.752 18.090 1.00 0.00 C
52
+ ATOM 51 O TRP A 7 4.263 20.441 17.150 1.00 0.00 O
53
+ ATOM 52 CG TRP A 7 3.591 16.681 17.060 1.00 0.00 C
54
+ ATOM 53 CD1 TRP A 7 2.972 15.463 17.010 1.00 0.00 C
55
+ ATOM 54 CD2 TRP A 7 4.471 16.730 15.933 1.00 0.00 C
56
+ ATOM 55 CE2 TRP A 7 4.335 15.507 15.242 1.00 0.00 C
57
+ ATOM 56 CE3 TRP A 7 5.363 17.692 15.440 1.00 0.00 C
58
+ ATOM 57 NE1 TRP A 7 3.415 14.752 15.919 1.00 0.00 N
59
+ ATOM 58 CH2 TRP A 7 5.923 16.178 13.621 1.00 0.00 C
60
+ ATOM 59 CZ2 TRP A 7 5.058 15.219 14.081 1.00 0.00 C
61
+ ATOM 60 CZ3 TRP A 7 6.081 17.405 14.286 1.00 0.00 C
62
+ ATOM 61 N TYR A 8 2.925 20.005 15.478 1.00 0.00 N
63
+ ATOM 62 CA TYR A 8 3.627 20.903 14.568 1.00 0.00 C
64
+ ATOM 63 C TYR A 8 3.021 22.300 14.606 1.00 0.00 C
65
+ ATOM 64 CB TYR A 8 3.590 20.356 13.138 1.00 0.00 C
66
+ ATOM 65 O TYR A 8 1.856 22.489 14.248 1.00 0.00 O
67
+ ATOM 66 CG TYR A 8 4.273 21.247 12.129 1.00 0.00 C
68
+ ATOM 67 CD1 TYR A 8 5.661 21.355 12.092 1.00 0.00 C
69
+ ATOM 68 CD2 TYR A 8 3.531 21.985 11.212 1.00 0.00 C
70
+ ATOM 69 CE1 TYR A 8 6.294 22.177 11.166 1.00 0.00 C
71
+ ATOM 70 CE2 TYR A 8 4.154 22.809 10.280 1.00 0.00 C
72
+ ATOM 71 OH TYR A 8 6.156 23.714 9.345 1.00 0.00 O
73
+ ATOM 72 CZ TYR A 8 5.534 22.899 10.266 1.00 0.00 C
74
+ ATOM 73 N PHE A 9 3.805 23.292 15.002 1.00 0.00 N
75
+ ATOM 74 CA PHE A 9 3.288 24.638 15.211 1.00 0.00 C
76
+ ATOM 75 C PHE A 9 3.797 25.588 14.132 1.00 0.00 C
77
+ ATOM 76 CB PHE A 9 3.684 25.159 16.596 1.00 0.00 C
78
+ ATOM 77 O PHE A 9 3.467 26.775 14.136 1.00 0.00 O
79
+ ATOM 78 CG PHE A 9 2.789 24.675 17.705 1.00 0.00 C
80
+ ATOM 79 CD1 PHE A 9 2.058 25.576 18.471 1.00 0.00 C
81
+ ATOM 80 CD2 PHE A 9 2.678 23.319 17.982 1.00 0.00 C
82
+ ATOM 81 CE1 PHE A 9 1.230 25.132 19.497 1.00 0.00 C
83
+ ATOM 82 CE2 PHE A 9 1.852 22.867 19.006 1.00 0.00 C
84
+ ATOM 83 CZ PHE A 9 1.128 23.775 19.764 1.00 0.00 C
85
+ ATOM 84 N GLY A 10 4.584 25.036 13.243 1.00 0.00 N
86
+ ATOM 85 CA GLY A 10 5.044 25.828 12.114 1.00 0.00 C
87
+ ATOM 86 C GLY A 10 5.968 26.962 12.515 1.00 0.00 C
88
+ ATOM 87 O GLY A 10 6.937 26.750 13.248 1.00 0.00 O
89
+ ATOM 88 N LYS A 11 5.637 28.204 11.992 1.00 0.00 N
90
+ ATOM 89 CA LYS A 11 6.531 29.343 12.185 1.00 0.00 C
91
+ ATOM 90 C LYS A 11 6.168 30.117 13.450 1.00 0.00 C
92
+ ATOM 91 CB LYS A 11 6.487 30.273 10.972 1.00 0.00 C
93
+ ATOM 92 O LYS A 11 5.410 31.088 13.394 1.00 0.00 O
94
+ ATOM 93 CG LYS A 11 7.064 29.662 9.704 1.00 0.00 C
95
+ ATOM 94 CD LYS A 11 7.032 30.648 8.543 1.00 0.00 C
96
+ ATOM 95 CE LYS A 11 7.559 30.021 7.260 1.00 0.00 C
97
+ ATOM 96 NZ LYS A 11 7.488 30.970 6.109 1.00 0.00 N
98
+ ATOM 97 N ILE A 12 6.422 29.615 14.578 1.00 0.00 N
99
+ ATOM 98 CA ILE A 12 6.300 30.394 15.804 1.00 0.00 C
100
+ ATOM 99 C ILE A 12 7.684 30.643 16.399 1.00 0.00 C
101
+ ATOM 100 CB ILE A 12 5.393 29.684 16.836 1.00 0.00 C
102
+ ATOM 101 O ILE A 12 8.600 29.837 16.214 1.00 0.00 O
103
+ ATOM 102 CG1 ILE A 12 6.045 28.380 17.311 1.00 0.00 C
104
+ ATOM 103 CG2 ILE A 12 4.007 29.420 16.244 1.00 0.00 C
105
+ ATOM 104 CD1 ILE A 12 5.447 27.822 18.596 1.00 0.00 C
106
+ ATOM 105 N THR A 13 7.856 31.769 17.069 1.00 0.00 N
107
+ ATOM 106 CA THR A 13 9.142 32.156 17.639 1.00 0.00 C
108
+ ATOM 107 C THR A 13 9.456 31.322 18.878 1.00 0.00 C
109
+ ATOM 108 CB THR A 13 9.164 33.651 18.004 1.00 0.00 C
110
+ ATOM 109 O THR A 13 8.558 30.724 19.475 1.00 0.00 O
111
+ ATOM 110 CG2 THR A 13 8.785 34.516 16.806 1.00 0.00 C
112
+ ATOM 111 OG1 THR A 13 8.233 33.892 19.067 1.00 0.00 O
113
+ ATOM 112 N ARG A 14 10.719 31.303 19.144 1.00 0.00 N
114
+ ATOM 113 CA ARG A 14 11.169 30.679 20.385 1.00 0.00 C
115
+ ATOM 114 C ARG A 14 10.419 31.247 21.585 1.00 0.00 C
116
+ ATOM 115 CB ARG A 14 12.676 30.871 20.569 1.00 0.00 C
117
+ ATOM 116 O ARG A 14 9.961 30.497 22.450 1.00 0.00 O
118
+ ATOM 117 CG ARG A 14 13.225 30.248 21.842 1.00 0.00 C
119
+ ATOM 118 CD ARG A 14 14.737 30.396 21.936 1.00 0.00 C
120
+ ATOM 119 NE ARG A 14 15.260 29.813 23.168 1.00 0.00 N
121
+ ATOM 120 NH1 ARG A 14 16.638 28.292 22.106 1.00 0.00 N
122
+ ATOM 121 NH2 ARG A 14 16.560 28.372 24.395 1.00 0.00 N
123
+ ATOM 122 CZ ARG A 14 16.151 28.827 23.221 1.00 0.00 C
124
+ ATOM 123 N ARG A 15 10.271 32.507 21.678 1.00 0.00 N
125
+ ATOM 124 CA ARG A 15 9.609 33.183 22.788 1.00 0.00 C
126
+ ATOM 125 C ARG A 15 8.141 32.779 22.878 1.00 0.00 C
127
+ ATOM 126 CB ARG A 15 9.725 34.702 22.640 1.00 0.00 C
128
+ ATOM 127 O ARG A 15 7.615 32.564 23.972 1.00 0.00 O
129
+ ATOM 128 CG ARG A 15 9.227 35.479 23.848 1.00 0.00 C
130
+ ATOM 129 CD ARG A 15 9.416 36.979 23.671 1.00 0.00 C
131
+ ATOM 130 NE ARG A 15 8.905 37.726 24.818 1.00 0.00 N
132
+ ATOM 131 NH1 ARG A 15 9.551 39.795 24.021 1.00 0.00 N
133
+ ATOM 132 NH2 ARG A 15 8.484 39.622 26.042 1.00 0.00 N
134
+ ATOM 133 CZ ARG A 15 8.981 39.046 24.958 1.00 0.00 C
135
+ ATOM 134 N GLU A 16 7.435 32.757 21.751 1.00 0.00 N
136
+ ATOM 135 CA GLU A 16 6.036 32.339 21.738 1.00 0.00 C
137
+ ATOM 136 C GLU A 16 5.892 30.884 22.177 1.00 0.00 C
138
+ ATOM 137 CB GLU A 16 5.430 32.532 20.345 1.00 0.00 C
139
+ ATOM 138 O GLU A 16 4.967 30.542 22.916 1.00 0.00 O
140
+ ATOM 139 CG GLU A 16 3.958 32.155 20.259 1.00 0.00 C
141
+ ATOM 140 CD GLU A 16 3.076 32.958 21.201 1.00 0.00 C
142
+ ATOM 141 OE1 GLU A 16 3.562 33.953 21.787 1.00 0.00 O
143
+ ATOM 142 OE2 GLU A 16 1.891 32.590 21.355 1.00 0.00 O
144
+ ATOM 143 N SER A 17 6.854 30.055 21.721 1.00 0.00 N
145
+ ATOM 144 CA SER A 17 6.814 28.662 22.154 1.00 0.00 C
146
+ ATOM 145 C SER A 17 6.984 28.548 23.666 1.00 0.00 C
147
+ ATOM 146 CB SER A 17 7.899 27.849 21.447 1.00 0.00 C
148
+ ATOM 147 O SER A 17 6.310 27.744 24.311 1.00 0.00 O
149
+ ATOM 148 OG SER A 17 9.187 28.224 21.905 1.00 0.00 O
150
+ ATOM 149 N GLU A 18 7.838 29.305 24.225 1.00 0.00 N
151
+ ATOM 150 CA GLU A 18 8.043 29.297 25.671 1.00 0.00 C
152
+ ATOM 151 C GLU A 18 6.788 29.756 26.408 1.00 0.00 C
153
+ ATOM 152 CB GLU A 18 9.231 30.185 26.050 1.00 0.00 C
154
+ ATOM 153 O GLU A 18 6.406 29.166 27.420 1.00 0.00 O
155
+ ATOM 154 CG GLU A 18 10.581 29.608 25.652 1.00 0.00 C
156
+ ATOM 155 CD GLU A 18 11.738 30.564 25.897 1.00 0.00 C
157
+ ATOM 156 OE1 GLU A 18 11.490 31.735 26.263 1.00 0.00 O
158
+ ATOM 157 OE2 GLU A 18 12.902 30.138 25.721 1.00 0.00 O
159
+ ATOM 158 N ARG A 19 6.194 30.785 25.930 1.00 0.00 N
160
+ ATOM 159 CA ARG A 19 4.969 31.280 26.548 1.00 0.00 C
161
+ ATOM 160 C ARG A 19 3.905 30.190 26.606 1.00 0.00 C
162
+ ATOM 161 CB ARG A 19 4.434 32.494 25.786 1.00 0.00 C
163
+ ATOM 162 O ARG A 19 3.221 30.035 27.619 1.00 0.00 O
164
+ ATOM 163 CG ARG A 19 3.281 33.199 26.482 1.00 0.00 C
165
+ ATOM 164 CD ARG A 19 2.688 34.302 25.615 1.00 0.00 C
166
+ ATOM 165 NE ARG A 19 2.040 33.761 24.423 1.00 0.00 N
167
+ ATOM 166 NH1 ARG A 19 0.068 33.211 25.493 1.00 0.00 N
168
+ ATOM 167 NH2 ARG A 19 0.319 32.789 23.254 1.00 0.00 N
169
+ ATOM 168 CZ ARG A 19 0.811 33.254 24.393 1.00 0.00 C
170
+ ATOM 169 N LEU A 20 3.748 29.409 25.592 1.00 0.00 N
171
+ ATOM 170 CA LEU A 20 2.753 28.344 25.524 1.00 0.00 C
172
+ ATOM 171 C LEU A 20 3.138 27.182 26.433 1.00 0.00 C
173
+ ATOM 172 CB LEU A 20 2.594 27.850 24.083 1.00 0.00 C
174
+ ATOM 173 O LEU A 20 2.286 26.623 27.128 1.00 0.00 O
175
+ ATOM 174 CG LEU A 20 1.984 28.840 23.090 1.00 0.00 C
176
+ ATOM 175 CD1 LEU A 20 2.101 28.304 21.667 1.00 0.00 C
177
+ ATOM 176 CD2 LEU A 20 0.528 29.123 23.443 1.00 0.00 C
178
+ ATOM 177 N LEU A 21 4.399 26.872 26.483 1.00 0.00 N
179
+ ATOM 178 CA LEU A 21 4.850 25.667 27.171 1.00 0.00 C
180
+ ATOM 179 C LEU A 21 4.986 25.916 28.669 1.00 0.00 C
181
+ ATOM 180 CB LEU A 21 6.187 25.192 26.598 1.00 0.00 C
182
+ ATOM 181 O LEU A 21 4.929 24.977 29.467 1.00 0.00 O
183
+ ATOM 182 CG LEU A 21 6.135 24.517 25.226 1.00 0.00 C
184
+ ATOM 183 CD1 LEU A 21 7.538 24.393 24.642 1.00 0.00 C
185
+ ATOM 184 CD2 LEU A 21 5.470 23.148 25.327 1.00 0.00 C
186
+ ATOM 185 N LEU A 22 5.207 27.169 29.052 1.00 0.00 N
187
+ ATOM 186 CA LEU A 22 5.410 27.487 30.460 1.00 0.00 C
188
+ ATOM 187 C LEU A 22 4.074 27.687 31.170 1.00 0.00 C
189
+ ATOM 188 CB LEU A 22 6.273 28.743 30.608 1.00 0.00 C
190
+ ATOM 189 O LEU A 22 4.041 28.020 32.356 1.00 0.00 O
191
+ ATOM 190 CG LEU A 22 7.751 28.596 30.244 1.00 0.00 C
192
+ ATOM 191 CD1 LEU A 22 8.444 29.954 30.285 1.00 0.00 C
193
+ ATOM 192 CD2 LEU A 22 8.438 27.611 31.184 1.00 0.00 C
194
+ ATOM 193 N ASN A 23 3.014 27.425 30.486 1.00 0.00 N
195
+ ATOM 194 CA ASN A 23 1.734 27.403 31.185 1.00 0.00 C
196
+ ATOM 195 C ASN A 23 1.722 26.363 32.302 1.00 0.00 C
197
+ ATOM 196 CB ASN A 23 0.591 27.139 30.203 1.00 0.00 C
198
+ ATOM 197 O ASN A 23 2.077 25.204 32.081 1.00 0.00 O
199
+ ATOM 198 CG ASN A 23 -0.776 27.306 30.838 1.00 0.00 C
200
+ ATOM 199 ND2 ASN A 23 -1.770 27.646 30.025 1.00 0.00 N
201
+ ATOM 200 OD1 ASN A 23 -0.936 27.133 32.049 1.00 0.00 O
202
+ ATOM 201 N ALA A 24 1.411 26.739 33.543 1.00 0.00 N
203
+ ATOM 202 CA ALA A 24 1.508 25.914 34.744 1.00 0.00 C
204
+ ATOM 203 C ALA A 24 0.683 24.638 34.602 1.00 0.00 C
205
+ ATOM 204 CB ALA A 24 1.055 26.703 35.971 1.00 0.00 C
206
+ ATOM 205 O ALA A 24 0.972 23.629 35.249 1.00 0.00 O
207
+ ATOM 206 N GLU A 25 -0.235 24.581 33.810 1.00 0.00 N
208
+ ATOM 207 CA GLU A 25 -1.099 23.414 33.659 1.00 0.00 C
209
+ ATOM 208 C GLU A 25 -0.435 22.344 32.798 1.00 0.00 C
210
+ ATOM 209 CB GLU A 25 -2.446 23.817 33.053 1.00 0.00 C
211
+ ATOM 210 O GLU A 25 -0.891 21.199 32.760 1.00 0.00 O
212
+ ATOM 211 CG GLU A 25 -3.282 24.713 33.953 1.00 0.00 C
213
+ ATOM 212 CD GLU A 25 -4.660 25.015 33.387 1.00 0.00 C
214
+ ATOM 213 OE1 GLU A 25 -4.901 24.731 32.192 1.00 0.00 O
215
+ ATOM 214 OE2 GLU A 25 -5.506 25.541 34.144 1.00 0.00 O
216
+ ATOM 215 N ASN A 26 0.666 22.757 32.169 1.00 0.00 N
217
+ ATOM 216 CA ASN A 26 1.338 21.778 31.320 1.00 0.00 C
218
+ ATOM 217 C ASN A 26 2.227 20.845 32.138 1.00 0.00 C
219
+ ATOM 218 CB ASN A 26 2.159 22.481 30.238 1.00 0.00 C
220
+ ATOM 219 O ASN A 26 3.064 21.303 32.917 1.00 0.00 O
221
+ ATOM 220 CG ASN A 26 1.293 23.121 29.171 1.00 0.00 C
222
+ ATOM 221 ND2 ASN A 26 1.847 24.102 28.468 1.00 0.00 N
223
+ ATOM 222 OD1 ASN A 26 0.137 22.738 28.981 1.00 0.00 O
224
+ ATOM 223 N PRO A 27 1.926 19.573 32.030 1.00 0.00 N
225
+ ATOM 224 CA PRO A 27 2.846 18.650 32.699 1.00 0.00 C
226
+ ATOM 225 C PRO A 27 4.246 18.669 32.089 1.00 0.00 C
227
+ ATOM 226 CB PRO A 27 2.184 17.285 32.502 1.00 0.00 C
228
+ ATOM 227 O PRO A 27 4.432 19.168 30.975 1.00 0.00 O
229
+ ATOM 228 CG PRO A 27 1.445 17.402 31.208 1.00 0.00 C
230
+ ATOM 229 CD PRO A 27 0.948 18.812 31.068 1.00 0.00 C
231
+ ATOM 230 N ARG A 28 5.138 18.216 32.884 1.00 0.00 N
232
+ ATOM 231 CA ARG A 28 6.489 17.965 32.394 1.00 0.00 C
233
+ ATOM 232 C ARG A 28 6.468 17.067 31.161 1.00 0.00 C
234
+ ATOM 233 CB ARG A 28 7.349 17.329 33.489 1.00 0.00 C
235
+ ATOM 234 O ARG A 28 5.706 16.099 31.105 1.00 0.00 O
236
+ ATOM 235 CG ARG A 28 8.833 17.286 33.160 1.00 0.00 C
237
+ ATOM 236 CD ARG A 28 9.645 16.676 34.294 1.00 0.00 C
238
+ ATOM 237 NE ARG A 28 11.076 16.696 34.005 1.00 0.00 N
239
+ ATOM 238 NH1 ARG A 28 11.649 15.234 35.700 1.00 0.00 N
240
+ ATOM 239 NH2 ARG A 28 13.270 16.103 34.331 1.00 0.00 N
241
+ ATOM 240 CZ ARG A 28 11.995 16.011 34.679 1.00 0.00 C
242
+ ATOM 241 N GLY A 29 7.279 17.516 30.090 1.00 0.00 N
243
+ ATOM 242 CA GLY A 29 7.333 16.735 28.865 1.00 0.00 C
244
+ ATOM 243 C GLY A 29 6.372 17.228 27.800 1.00 0.00 C
245
+ ATOM 244 O GLY A 29 6.285 16.645 26.718 1.00 0.00 O
246
+ ATOM 245 N THR A 30 5.594 18.302 28.125 1.00 0.00 N
247
+ ATOM 246 CA THR A 30 4.794 18.940 27.086 1.00 0.00 C
248
+ ATOM 247 C THR A 30 5.687 19.503 25.984 1.00 0.00 C
249
+ ATOM 248 CB THR A 30 3.920 20.067 27.668 1.00 0.00 C
250
+ ATOM 249 O THR A 30 6.719 20.115 26.266 1.00 0.00 O
251
+ ATOM 250 CG2 THR A 30 3.059 20.711 26.585 1.00 0.00 C
252
+ ATOM 251 OG1 THR A 30 3.066 19.526 28.683 1.00 0.00 O
253
+ ATOM 252 N PHE A 31 5.296 19.317 24.732 1.00 0.00 N
254
+ ATOM 253 CA PHE A 31 6.260 19.630 23.684 1.00 0.00 C
255
+ ATOM 254 C PHE A 31 5.556 20.162 22.442 1.00 0.00 C
256
+ ATOM 255 CB PHE A 31 7.091 18.392 23.328 1.00 0.00 C
257
+ ATOM 256 O PHE A 31 4.345 19.993 22.288 1.00 0.00 O
258
+ ATOM 257 CG PHE A 31 6.319 17.340 22.579 1.00 0.00 C
259
+ ATOM 258 CD1 PHE A 31 5.530 16.420 23.260 1.00 0.00 C
260
+ ATOM 259 CD2 PHE A 31 6.383 17.269 21.194 1.00 0.00 C
261
+ ATOM 260 CE1 PHE A 31 4.816 15.444 22.569 1.00 0.00 C
262
+ ATOM 261 CE2 PHE A 31 5.670 16.296 20.497 1.00 0.00 C
263
+ ATOM 262 CZ PHE A 31 4.889 15.385 21.187 1.00 0.00 C
264
+ ATOM 263 N LEU A 32 6.248 20.711 21.540 1.00 0.00 N
265
+ ATOM 264 CA LEU A 32 5.846 21.084 20.188 1.00 0.00 C
266
+ ATOM 265 C LEU A 32 7.054 21.147 19.260 1.00 0.00 C
267
+ ATOM 266 CB LEU A 32 5.123 22.434 20.196 1.00 0.00 C
268
+ ATOM 267 O LEU A 32 8.195 21.218 19.723 1.00 0.00 O
269
+ ATOM 268 CG LEU A 32 5.914 23.624 20.742 1.00 0.00 C
270
+ ATOM 269 CD1 LEU A 32 6.872 24.154 19.681 1.00 0.00 C
271
+ ATOM 270 CD2 LEU A 32 4.969 24.724 21.215 1.00 0.00 C
272
+ ATOM 271 N VAL A 33 6.826 21.031 18.017 1.00 0.00 N
273
+ ATOM 272 CA VAL A 33 7.840 21.168 16.977 1.00 0.00 C
274
+ ATOM 273 C VAL A 33 7.568 22.425 16.153 1.00 0.00 C
275
+ ATOM 274 CB VAL A 33 7.881 19.927 16.057 1.00 0.00 C
276
+ ATOM 275 O VAL A 33 6.430 22.675 15.748 1.00 0.00 O
277
+ ATOM 276 CG1 VAL A 33 8.851 20.146 14.898 1.00 0.00 C
278
+ ATOM 277 CG2 VAL A 33 8.269 18.684 16.856 1.00 0.00 C
279
+ ATOM 278 N ARG A 34 8.587 23.181 15.934 1.00 0.00 N
280
+ ATOM 279 CA ARG A 34 8.459 24.428 15.185 1.00 0.00 C
281
+ ATOM 280 C ARG A 34 9.582 24.571 14.163 1.00 0.00 C
282
+ ATOM 281 CB ARG A 34 8.460 25.628 16.136 1.00 0.00 C
283
+ ATOM 282 O ARG A 34 10.578 23.847 14.222 1.00 0.00 O
284
+ ATOM 283 CG ARG A 34 9.678 25.695 17.043 1.00 0.00 C
285
+ ATOM 284 CD ARG A 34 9.583 26.850 18.030 1.00 0.00 C
286
+ ATOM 285 NE ARG A 34 10.742 26.896 18.918 1.00 0.00 N
287
+ ATOM 286 NH1 ARG A 34 12.177 27.779 17.338 1.00 0.00 N
288
+ ATOM 287 NH2 ARG A 34 12.931 27.335 19.457 1.00 0.00 N
289
+ ATOM 288 CZ ARG A 34 11.948 27.337 18.569 1.00 0.00 C
290
+ ATOM 289 N GLU A 35 9.402 25.491 13.249 1.00 0.00 N
291
+ ATOM 290 CA GLU A 35 10.480 25.853 12.332 1.00 0.00 C
292
+ ATOM 291 C GLU A 35 11.531 26.713 13.028 1.00 0.00 C
293
+ ATOM 292 CB GLU A 35 9.924 26.587 11.110 1.00 0.00 C
294
+ ATOM 293 O GLU A 35 11.198 27.543 13.877 1.00 0.00 O
295
+ ATOM 294 CG GLU A 35 9.021 25.729 10.236 1.00 0.00 C
296
+ ATOM 295 CD GLU A 35 8.457 26.478 9.039 1.00 0.00 C
297
+ ATOM 296 OE1 GLU A 35 9.100 27.444 8.570 1.00 0.00 O
298
+ ATOM 297 OE2 GLU A 35 7.362 26.097 8.569 1.00 0.00 O
299
+ ATOM 298 N SER A 36 12.758 26.402 12.709 1.00 0.00 N
300
+ ATOM 299 CA SER A 36 13.842 27.199 13.274 1.00 0.00 C
301
+ ATOM 300 C SER A 36 13.807 28.631 12.749 1.00 0.00 C
302
+ ATOM 301 CB SER A 36 15.196 26.565 12.958 1.00 0.00 C
303
+ ATOM 302 O SER A 36 13.592 28.855 11.557 1.00 0.00 O
304
+ ATOM 303 OG SER A 36 16.257 27.390 13.410 1.00 0.00 O
305
+ ATOM 304 N GLU A 37 14.073 29.541 13.673 1.00 0.00 N
306
+ ATOM 305 CA GLU A 37 14.125 30.939 13.255 1.00 0.00 C
307
+ ATOM 306 C GLU A 37 15.473 31.275 12.621 1.00 0.00 C
308
+ ATOM 307 CB GLU A 37 13.857 31.866 14.444 1.00 0.00 C
309
+ ATOM 308 O GLU A 37 15.555 32.145 11.751 1.00 0.00 O
310
+ ATOM 309 CG GLU A 37 12.447 31.754 15.004 1.00 0.00 C
311
+ ATOM 310 CD GLU A 37 12.232 32.586 16.260 1.00 0.00 C
312
+ ATOM 311 OE1 GLU A 37 12.594 32.121 17.365 1.00 0.00 O
313
+ ATOM 312 OE2 GLU A 37 11.698 33.711 16.135 1.00 0.00 O
314
+ ATOM 313 N THR A 38 16.456 30.557 12.977 1.00 0.00 N
315
+ ATOM 314 CA THR A 38 17.806 30.989 12.629 1.00 0.00 C
316
+ ATOM 315 C THR A 38 18.359 30.157 11.476 1.00 0.00 C
317
+ ATOM 316 CB THR A 38 18.754 30.889 13.838 1.00 0.00 C
318
+ ATOM 317 O THR A 38 19.316 30.563 10.813 1.00 0.00 O
319
+ ATOM 318 CG2 THR A 38 18.329 31.843 14.951 1.00 0.00 C
320
+ ATOM 319 OG1 THR A 38 18.738 29.548 14.342 1.00 0.00 O
321
+ ATOM 320 N THR A 39 17.784 28.980 11.325 1.00 0.00 N
322
+ ATOM 321 CA THR A 39 18.250 28.073 10.282 1.00 0.00 C
323
+ ATOM 322 C THR A 39 17.109 27.701 9.340 1.00 0.00 C
324
+ ATOM 323 CB THR A 39 18.857 26.793 10.885 1.00 0.00 C
325
+ ATOM 324 O THR A 39 16.148 27.046 9.748 1.00 0.00 O
326
+ ATOM 325 CG2 THR A 39 19.510 25.932 9.808 1.00 0.00 C
327
+ ATOM 326 OG1 THR A 39 19.847 27.153 11.858 1.00 0.00 O
328
+ ATOM 327 N LYS A 40 17.217 28.160 8.145 1.00 0.00 N
329
+ ATOM 328 CA LYS A 40 16.199 27.870 7.140 1.00 0.00 C
330
+ ATOM 329 C LYS A 40 16.097 26.370 6.877 1.00 0.00 C
331
+ ATOM 330 CB LYS A 40 16.505 28.609 5.836 1.00 0.00 C
332
+ ATOM 331 O LYS A 40 17.109 25.704 6.645 1.00 0.00 O
333
+ ATOM 332 CG LYS A 40 15.389 28.534 4.805 1.00 0.00 C
334
+ ATOM 333 CD LYS A 40 15.717 29.357 3.566 1.00 0.00 C
335
+ ATOM 334 CE LYS A 40 14.613 29.260 2.521 1.00 0.00 C
336
+ ATOM 335 NZ LYS A 40 14.924 30.076 1.309 1.00 0.00 N
337
+ ATOM 336 N GLY A 41 14.849 25.963 6.944 1.00 0.00 N
338
+ ATOM 337 CA GLY A 41 14.609 24.564 6.628 1.00 0.00 C
339
+ ATOM 338 C GLY A 41 14.804 23.642 7.818 1.00 0.00 C
340
+ ATOM 339 O GLY A 41 14.531 22.443 7.732 1.00 0.00 O
341
+ ATOM 340 N ALA A 42 15.413 24.126 8.911 1.00 0.00 N
342
+ ATOM 341 CA ALA A 42 15.600 23.331 10.122 1.00 0.00 C
343
+ ATOM 342 C ALA A 42 14.395 23.455 11.050 1.00 0.00 C
344
+ ATOM 343 CB ALA A 42 16.874 23.755 10.848 1.00 0.00 C
345
+ ATOM 344 O ALA A 42 13.587 24.375 10.909 1.00 0.00 O
346
+ ATOM 345 N TYR A 43 14.226 22.555 11.911 1.00 0.00 N
347
+ ATOM 346 CA TYR A 43 13.158 22.549 12.904 1.00 0.00 C
348
+ ATOM 347 C TYR A 43 13.728 22.551 14.317 1.00 0.00 C
349
+ ATOM 348 CB TYR A 43 12.249 21.331 12.709 1.00 0.00 C
350
+ ATOM 349 O TYR A 43 14.913 22.271 14.516 1.00 0.00 O
351
+ ATOM 350 CG TYR A 43 11.598 21.271 11.349 1.00 0.00 C
352
+ ATOM 351 CD1 TYR A 43 10.393 21.925 11.102 1.00 0.00 C
353
+ ATOM 352 CD2 TYR A 43 12.185 20.560 10.308 1.00 0.00 C
354
+ ATOM 353 CE1 TYR A 43 9.788 21.871 9.851 1.00 0.00 C
355
+ ATOM 354 CE2 TYR A 43 11.590 20.498 9.053 1.00 0.00 C
356
+ ATOM 355 OH TYR A 43 9.799 21.099 7.593 1.00 0.00 O
357
+ ATOM 356 CZ TYR A 43 10.393 21.156 8.834 1.00 0.00 C
358
+ ATOM 357 N CYS A 44 12.918 22.826 15.240 1.00 0.00 N
359
+ ATOM 358 CA CYS A 44 13.270 22.799 16.655 1.00 0.00 C
360
+ ATOM 359 C CYS A 44 12.209 22.066 17.467 1.00 0.00 C
361
+ ATOM 360 CB CYS A 44 13.445 24.220 17.191 1.00 0.00 C
362
+ ATOM 361 O CYS A 44 11.014 22.206 17.203 1.00 0.00 O
363
+ ATOM 362 SG CYS A 44 14.849 25.101 16.473 1.00 0.00 S
364
+ ATOM 363 N LEU A 45 12.656 21.269 18.306 1.00 0.00 N
365
+ ATOM 364 CA LEU A 45 11.831 20.630 19.326 1.00 0.00 C
366
+ ATOM 365 C LEU A 45 11.901 21.399 20.642 1.00 0.00 C
367
+ ATOM 366 CB LEU A 45 12.276 19.181 19.544 1.00 0.00 C
368
+ ATOM 367 O LEU A 45 12.989 21.618 21.181 1.00 0.00 O
369
+ ATOM 368 CG LEU A 45 11.591 18.425 20.683 1.00 0.00 C
370
+ ATOM 369 CD1 LEU A 45 10.123 18.183 20.350 1.00 0.00 C
371
+ ATOM 370 CD2 LEU A 45 12.307 17.107 20.958 1.00 0.00 C
372
+ ATOM 371 N SER A 46 10.811 21.858 21.153 1.00 0.00 N
373
+ ATOM 372 CA SER A 46 10.723 22.537 22.443 1.00 0.00 C
374
+ ATOM 373 C SER A 46 9.973 21.687 23.463 1.00 0.00 C
375
+ ATOM 374 CB SER A 46 10.034 23.893 22.290 1.00 0.00 C
376
+ ATOM 375 O SER A 46 8.867 21.215 23.193 1.00 0.00 O
377
+ ATOM 376 OG SER A 46 10.763 24.731 21.409 1.00 0.00 O
378
+ ATOM 377 N VAL A 47 10.542 21.526 24.595 1.00 0.00 N
379
+ ATOM 378 CA VAL A 47 9.990 20.623 25.599 1.00 0.00 C
380
+ ATOM 379 C VAL A 47 10.003 21.301 26.967 1.00 0.00 C
381
+ ATOM 380 CB VAL A 47 10.772 19.291 25.657 1.00 0.00 C
382
+ ATOM 381 O VAL A 47 11.019 21.870 27.376 1.00 0.00 O
383
+ ATOM 382 CG1 VAL A 47 10.058 18.284 26.555 1.00 0.00 C
384
+ ATOM 383 CG2 VAL A 47 10.959 18.722 24.252 1.00 0.00 C
385
+ ATOM 384 N SER A 48 8.881 21.253 27.658 1.00 0.00 N
386
+ ATOM 385 CA SER A 48 8.811 21.782 29.017 1.00 0.00 C
387
+ ATOM 386 C SER A 48 9.480 20.840 30.012 1.00 0.00 C
388
+ ATOM 387 CB SER A 48 7.358 22.021 29.426 1.00 0.00 C
389
+ ATOM 388 O SER A 48 9.360 19.619 29.896 1.00 0.00 O
390
+ ATOM 389 OG SER A 48 6.650 20.796 29.509 1.00 0.00 O
391
+ ATOM 390 N ASP A 49 10.224 21.448 30.865 1.00 0.00 N
392
+ ATOM 391 CA ASP A 49 10.892 20.719 31.939 1.00 0.00 C
393
+ ATOM 392 C ASP A 49 10.780 21.471 33.264 1.00 0.00 C
394
+ ATOM 393 CB ASP A 49 12.363 20.480 31.592 1.00 0.00 C
395
+ ATOM 394 O ASP A 49 10.416 22.649 33.287 1.00 0.00 O
396
+ ATOM 395 CG ASP A 49 12.989 19.361 32.404 1.00 0.00 C
397
+ ATOM 396 OD1 ASP A 49 12.249 18.583 33.044 1.00 0.00 O
398
+ ATOM 397 OD2 ASP A 49 14.235 19.258 32.407 1.00 0.00 O
399
+ ATOM 398 N PHE A 50 10.896 20.776 34.285 1.00 0.00 N
400
+ ATOM 399 CA PHE A 50 10.907 21.347 35.627 1.00 0.00 C
401
+ ATOM 400 C PHE A 50 12.156 20.916 36.388 1.00 0.00 C
402
+ ATOM 401 CB PHE A 50 9.651 20.932 36.400 1.00 0.00 C
403
+ ATOM 402 O PHE A 50 12.477 19.726 36.441 1.00 0.00 O
404
+ ATOM 403 CG PHE A 50 9.549 21.551 37.768 1.00 0.00 C
405
+ ATOM 404 CD1 PHE A 50 8.978 22.805 37.938 1.00 0.00 C
406
+ ATOM 405 CD2 PHE A 50 10.025 20.876 38.885 1.00 0.00 C
407
+ ATOM 406 CE1 PHE A 50 8.882 23.380 39.204 1.00 0.00 C
408
+ ATOM 407 CE2 PHE A 50 9.933 21.444 40.153 1.00 0.00 C
409
+ ATOM 408 CZ PHE A 50 9.361 22.696 40.309 1.00 0.00 C
410
+ ATOM 409 N ASP A 51 13.027 21.863 36.703 1.00 0.00 N
411
+ ATOM 410 CA ASP A 51 14.196 21.651 37.553 1.00 0.00 C
412
+ ATOM 411 C ASP A 51 14.023 22.339 38.905 1.00 0.00 C
413
+ ATOM 412 CB ASP A 51 15.461 22.161 36.860 1.00 0.00 C
414
+ ATOM 413 O ASP A 51 13.518 23.461 38.977 1.00 0.00 O
415
+ ATOM 414 CG ASP A 51 16.710 21.987 37.706 1.00 0.00 C
416
+ ATOM 415 OD1 ASP A 51 17.023 22.879 38.524 1.00 0.00 O
417
+ ATOM 416 OD2 ASP A 51 17.390 20.950 37.551 1.00 0.00 O
418
+ ATOM 417 N ASN A 52 14.296 21.598 40.089 1.00 0.00 N
419
+ ATOM 418 CA ASN A 52 14.100 22.114 41.440 1.00 0.00 C
420
+ ATOM 419 C ASN A 52 14.782 23.466 41.627 1.00 0.00 C
421
+ ATOM 420 CB ASN A 52 14.613 21.111 42.477 1.00 0.00 C
422
+ ATOM 421 O ASN A 52 14.265 24.334 42.334 1.00 0.00 O
423
+ ATOM 422 CG ASN A 52 13.736 19.880 42.581 1.00 0.00 C
424
+ ATOM 423 ND2 ASN A 52 14.317 18.776 43.036 1.00 0.00 N
425
+ ATOM 424 OD1 ASN A 52 12.547 19.920 42.256 1.00 0.00 O
426
+ ATOM 425 N ALA A 53 15.854 23.582 40.997 1.00 0.00 N
427
+ ATOM 426 CA ALA A 53 16.626 24.811 41.162 1.00 0.00 C
428
+ ATOM 427 C ALA A 53 16.078 25.926 40.276 1.00 0.00 C
429
+ ATOM 428 CB ALA A 53 18.099 24.561 40.847 1.00 0.00 C
430
+ ATOM 429 O ALA A 53 15.943 27.070 40.718 1.00 0.00 O
431
+ ATOM 430 N LYS A 54 15.646 25.714 39.106 1.00 0.00 N
432
+ ATOM 431 CA LYS A 54 15.322 26.732 38.110 1.00 0.00 C
433
+ ATOM 432 C LYS A 54 13.811 26.889 37.957 1.00 0.00 C
434
+ ATOM 433 CB LYS A 54 15.951 26.383 36.761 1.00 0.00 C
435
+ ATOM 434 O LYS A 54 13.335 27.921 37.480 1.00 0.00 O
436
+ ATOM 435 CG LYS A 54 17.472 26.447 36.752 1.00 0.00 C
437
+ ATOM 436 CD LYS A 54 18.037 26.117 35.377 1.00 0.00 C
438
+ ATOM 437 CE LYS A 54 19.559 26.110 35.384 1.00 0.00 C
439
+ ATOM 438 NZ LYS A 54 20.118 25.703 34.060 1.00 0.00 N
440
+ ATOM 439 N GLY A 55 13.081 25.873 38.547 1.00 0.00 N
441
+ ATOM 440 CA GLY A 55 11.649 25.904 38.296 1.00 0.00 C
442
+ ATOM 441 C GLY A 55 11.283 25.513 36.877 1.00 0.00 C
443
+ ATOM 442 O GLY A 55 11.995 24.735 36.238 1.00 0.00 O
444
+ ATOM 443 N LEU A 56 10.160 25.898 36.415 1.00 0.00 N
445
+ ATOM 444 CA LEU A 56 9.651 25.586 35.085 1.00 0.00 C
446
+ ATOM 445 C LEU A 56 10.534 26.206 34.006 1.00 0.00 C
447
+ ATOM 446 CB LEU A 56 8.212 26.085 34.930 1.00 0.00 C
448
+ ATOM 447 O LEU A 56 10.879 27.388 34.083 1.00 0.00 O
449
+ ATOM 448 CG LEU A 56 7.136 25.290 35.672 1.00 0.00 C
450
+ ATOM 449 CD1 LEU A 56 5.835 26.084 35.727 1.00 0.00 C
451
+ ATOM 450 CD2 LEU A 56 6.915 23.937 35.004 1.00 0.00 C
452
+ ATOM 451 N ASN A 57 10.978 25.413 33.075 1.00 0.00 N
453
+ ATOM 452 CA ASN A 57 11.782 25.908 31.962 1.00 0.00 C
454
+ ATOM 453 C ASN A 57 11.506 25.128 30.680 1.00 0.00 C
455
+ ATOM 454 CB ASN A 57 13.272 25.850 32.308 1.00 0.00 C
456
+ ATOM 455 O ASN A 57 10.737 24.165 30.688 1.00 0.00 O
457
+ ATOM 456 CG ASN A 57 13.756 24.437 32.567 1.00 0.00 C
458
+ ATOM 457 ND2 ASN A 57 14.119 24.154 33.812 1.00 0.00 N
459
+ ATOM 458 OD1 ASN A 57 13.805 23.608 31.655 1.00 0.00 O
460
+ ATOM 459 N VAL A 58 11.949 25.590 29.611 1.00 0.00 N
461
+ ATOM 460 CA VAL A 58 11.776 24.969 28.302 1.00 0.00 C
462
+ ATOM 461 C VAL A 58 13.142 24.684 27.681 1.00 0.00 C
463
+ ATOM 462 CB VAL A 58 10.938 25.859 27.358 1.00 0.00 C
464
+ ATOM 463 O VAL A 58 14.010 25.559 27.646 1.00 0.00 O
465
+ ATOM 464 CG1 VAL A 58 10.804 25.212 25.981 1.00 0.00 C
466
+ ATOM 465 CG2 VAL A 58 9.560 26.127 27.962 1.00 0.00 C
467
+ ATOM 466 N LYS A 59 13.373 23.501 27.273 1.00 0.00 N
468
+ ATOM 467 CA LYS A 59 14.580 23.125 26.543 1.00 0.00 C
469
+ ATOM 468 C LYS A 59 14.317 23.066 25.041 1.00 0.00 C
470
+ ATOM 469 CB LYS A 59 15.107 21.776 27.035 1.00 0.00 C
471
+ ATOM 470 O LYS A 59 13.291 22.540 24.605 1.00 0.00 O
472
+ ATOM 471 CG LYS A 59 15.459 21.753 28.515 1.00 0.00 C
473
+ ATOM 472 CD LYS A 59 16.664 22.636 28.818 1.00 0.00 C
474
+ ATOM 473 CE LYS A 59 17.025 22.604 30.297 1.00 0.00 C
475
+ ATOM 474 NZ LYS A 59 18.226 23.441 30.591 1.00 0.00 N
476
+ ATOM 475 N HIS A 60 15.207 23.611 24.308 1.00 0.00 N
477
+ ATOM 476 CA HIS A 60 15.110 23.637 22.853 1.00 0.00 C
478
+ ATOM 477 C HIS A 60 16.181 22.762 22.212 1.00 0.00 C
479
+ ATOM 478 CB HIS A 60 15.224 25.072 22.335 1.00 0.00 C
480
+ ATOM 479 O HIS A 60 17.362 22.872 22.550 1.00 0.00 O
481
+ ATOM 480 CG HIS A 60 14.265 26.022 22.979 1.00 0.00 C
482
+ ATOM 481 CD2 HIS A 60 14.423 26.876 24.018 1.00 0.00 C
483
+ ATOM 482 ND1 HIS A 60 12.961 26.163 22.557 1.00 0.00 N
484
+ ATOM 483 CE1 HIS A 60 12.357 27.067 23.310 1.00 0.00 C
485
+ ATOM 484 NE2 HIS A 60 13.222 27.515 24.205 1.00 0.00 N
486
+ ATOM 485 N TYR A 61 15.727 21.900 21.382 1.00 0.00 N
487
+ ATOM 486 CA TYR A 61 16.633 21.006 20.670 1.00 0.00 C
488
+ ATOM 487 C TYR A 61 16.541 21.222 19.164 1.00 0.00 C
489
+ ATOM 488 CB TYR A 61 16.321 19.544 21.006 1.00 0.00 C
490
+ ATOM 489 O TYR A 61 15.464 21.097 18.577 1.00 0.00 O
491
+ ATOM 490 CG TYR A 61 16.417 19.226 22.478 1.00 0.00 C
492
+ ATOM 491 CD1 TYR A 61 17.624 18.824 23.046 1.00 0.00 C
493
+ ATOM 492 CD2 TYR A 61 15.302 19.327 23.304 1.00 0.00 C
494
+ ATOM 493 CE1 TYR A 61 17.716 18.528 24.403 1.00 0.00 C
495
+ ATOM 494 CE2 TYR A 61 15.384 19.033 24.661 1.00 0.00 C
496
+ ATOM 495 OH TYR A 61 16.679 18.344 26.544 1.00 0.00 O
497
+ ATOM 496 CZ TYR A 61 16.593 18.636 25.200 1.00 0.00 C
498
+ ATOM 497 N LYS A 62 17.641 21.504 18.544 1.00 0.00 N
499
+ ATOM 498 CA LYS A 62 17.657 21.633 17.090 1.00 0.00 C
500
+ ATOM 499 C LYS A 62 17.492 20.274 16.416 1.00 0.00 C
501
+ ATOM 500 CB LYS A 62 18.953 22.296 16.623 1.00 0.00 C
502
+ ATOM 501 O LYS A 62 18.189 19.317 16.758 1.00 0.00 O
503
+ ATOM 502 CG LYS A 62 18.965 22.661 15.145 1.00 0.00 C
504
+ ATOM 503 CD LYS A 62 20.193 23.486 14.783 1.00 0.00 C
505
+ ATOM 504 CE LYS A 62 20.153 23.943 13.331 1.00 0.00 C
506
+ ATOM 505 NZ LYS A 62 21.309 24.826 12.996 1.00 0.00 N
507
+ ATOM 506 N ILE A 63 16.496 20.207 15.490 1.00 0.00 N
508
+ ATOM 507 CA ILE A 63 16.349 19.048 14.616 1.00 0.00 C
509
+ ATOM 508 C ILE A 63 17.039 19.317 13.281 1.00 0.00 C
510
+ ATOM 509 CB ILE A 63 14.862 18.695 14.391 1.00 0.00 C
511
+ ATOM 510 O ILE A 63 16.638 20.215 12.538 1.00 0.00 O
512
+ ATOM 511 CG1 ILE A 63 14.158 18.468 15.733 1.00 0.00 C
513
+ ATOM 512 CG2 ILE A 63 14.731 17.464 13.488 1.00 0.00 C
514
+ ATOM 513 CD1 ILE A 63 12.638 18.453 15.639 1.00 0.00 C
515
+ ATOM 514 N ARG A 64 18.032 18.545 13.063 1.00 0.00 N
516
+ ATOM 515 CA ARG A 64 18.789 18.702 11.826 1.00 0.00 C
517
+ ATOM 516 C ARG A 64 18.328 17.704 10.770 1.00 0.00 C
518
+ ATOM 517 CB ARG A 64 20.287 18.535 12.087 1.00 0.00 C
519
+ ATOM 518 O ARG A 64 17.822 16.630 11.103 1.00 0.00 O
520
+ ATOM 519 CG ARG A 64 20.863 19.557 13.055 1.00 0.00 C
521
+ ATOM 520 CD ARG A 64 22.340 19.310 13.324 1.00 0.00 C
522
+ ATOM 521 NE ARG A 64 22.895 20.302 14.239 1.00 0.00 N
523
+ ATOM 522 NH1 ARG A 64 25.031 19.422 14.230 1.00 0.00 N
524
+ ATOM 523 NH2 ARG A 64 24.559 21.282 15.484 1.00 0.00 N
525
+ ATOM 524 CZ ARG A 64 24.160 20.333 14.649 1.00 0.00 C
526
+ ATOM 525 N LYS A 65 18.421 18.126 9.581 1.00 0.00 N
527
+ ATOM 526 CA LYS A 65 18.096 17.292 8.427 1.00 0.00 C
528
+ ATOM 527 C LYS A 65 19.356 16.884 7.670 1.00 0.00 C
529
+ ATOM 528 CB LYS A 65 17.134 18.022 7.489 1.00 0.00 C
530
+ ATOM 529 O LYS A 65 20.206 17.726 7.372 1.00 0.00 O
531
+ ATOM 530 CG LYS A 65 16.560 17.146 6.386 1.00 0.00 C
532
+ ATOM 531 CD LYS A 65 15.523 17.896 5.559 1.00 0.00 C
533
+ ATOM 532 CE LYS A 65 14.932 17.013 4.468 1.00 0.00 C
534
+ ATOM 533 NZ LYS A 65 14.018 17.780 3.570 1.00 0.00 N
535
+ ATOM 534 N LEU A 66 19.463 15.636 7.401 1.00 0.00 N
536
+ ATOM 535 CA LEU A 66 20.571 15.149 6.588 1.00 0.00 C
537
+ ATOM 536 C LEU A 66 20.330 15.440 5.110 1.00 0.00 C
538
+ ATOM 537 CB LEU A 66 20.770 13.645 6.798 1.00 0.00 C
539
+ ATOM 538 O LEU A 66 19.184 15.585 4.681 1.00 0.00 O
540
+ ATOM 539 CG LEU A 66 21.228 13.210 8.191 1.00 0.00 C
541
+ ATOM 540 CD1 LEU A 66 21.109 11.697 8.339 1.00 0.00 C
542
+ ATOM 541 CD2 LEU A 66 22.660 13.667 8.450 1.00 0.00 C
543
+ ATOM 542 N ASP A 67 21.401 15.528 4.332 1.00 0.00 N
544
+ ATOM 543 CA ASP A 67 21.273 15.686 2.888 1.00 0.00 C
545
+ ATOM 544 C ASP A 67 20.436 14.561 2.283 1.00 0.00 C
546
+ ATOM 545 CB ASP A 67 22.653 15.726 2.228 1.00 0.00 C
547
+ ATOM 546 O ASP A 67 19.707 14.775 1.312 1.00 0.00 O
548
+ ATOM 547 CG ASP A 67 23.437 16.981 2.569 1.00 0.00 C
549
+ ATOM 548 OD1 ASP A 67 22.821 18.005 2.936 1.00 0.00 O
550
+ ATOM 549 OD2 ASP A 67 24.683 16.947 2.468 1.00 0.00 O
551
+ ATOM 550 N SER A 68 20.576 13.380 2.878 1.00 0.00 N
552
+ ATOM 551 CA SER A 68 19.852 12.214 2.386 1.00 0.00 C
553
+ ATOM 552 C SER A 68 18.380 12.270 2.779 1.00 0.00 C
554
+ ATOM 553 CB SER A 68 20.482 10.926 2.921 1.00 0.00 C
555
+ ATOM 554 O SER A 68 17.588 11.421 2.364 1.00 0.00 O
556
+ ATOM 555 OG SER A 68 20.453 10.905 4.338 1.00 0.00 O
557
+ ATOM 556 N GLY A 69 18.016 13.319 3.563 1.00 0.00 N
558
+ ATOM 557 CA GLY A 69 16.622 13.508 3.932 1.00 0.00 C
559
+ ATOM 558 C GLY A 69 16.317 13.073 5.353 1.00 0.00 C
560
+ ATOM 559 O GLY A 69 15.193 13.238 5.830 1.00 0.00 O
561
+ ATOM 560 N GLY A 70 17.178 12.468 6.098 1.00 0.00 N
562
+ ATOM 561 CA GLY A 70 16.959 12.016 7.462 1.00 0.00 C
563
+ ATOM 562 C GLY A 70 16.988 13.144 8.478 1.00 0.00 C
564
+ ATOM 563 O GLY A 70 17.629 14.173 8.251 1.00 0.00 O
565
+ ATOM 564 N PHE A 71 16.239 12.950 9.605 1.00 0.00 N
566
+ ATOM 565 CA PHE A 71 16.178 13.940 10.675 1.00 0.00 C
567
+ ATOM 566 C PHE A 71 16.853 13.414 11.937 1.00 0.00 C
568
+ ATOM 567 CB PHE A 71 14.725 14.321 10.975 1.00 0.00 C
569
+ ATOM 568 O PHE A 71 16.793 12.218 12.226 1.00 0.00 O
570
+ ATOM 569 CG PHE A 71 14.009 14.948 9.809 1.00 0.00 C
571
+ ATOM 570 CD1 PHE A 71 14.046 16.322 9.611 1.00 0.00 C
572
+ ATOM 571 CD2 PHE A 71 13.299 14.161 8.911 1.00 0.00 C
573
+ ATOM 572 CE1 PHE A 71 13.383 16.906 8.534 1.00 0.00 C
574
+ ATOM 573 CE2 PHE A 71 12.635 14.736 7.831 1.00 0.00 C
575
+ ATOM 574 CZ PHE A 71 12.678 16.109 7.645 1.00 0.00 C
576
+ ATOM 575 N TYR A 72 17.433 14.325 12.607 1.00 0.00 N
577
+ ATOM 576 CA TYR A 72 18.044 13.887 13.858 1.00 0.00 C
578
+ ATOM 577 C TYR A 72 18.270 15.066 14.797 1.00 0.00 C
579
+ ATOM 578 CB TYR A 72 19.373 13.174 13.586 1.00 0.00 C
580
+ ATOM 579 O TYR A 72 18.371 16.211 14.352 1.00 0.00 O
581
+ ATOM 580 CG TYR A 72 20.432 14.070 12.991 1.00 0.00 C
582
+ ATOM 581 CD1 TYR A 72 20.457 14.338 11.623 1.00 0.00 C
583
+ ATOM 582 CD2 TYR A 72 21.408 14.650 13.793 1.00 0.00 C
584
+ ATOM 583 CE1 TYR A 72 21.432 15.161 11.070 1.00 0.00 C
585
+ ATOM 584 CE2 TYR A 72 22.388 15.475 13.250 1.00 0.00 C
586
+ ATOM 585 OH TYR A 72 23.359 16.541 11.348 1.00 0.00 O
587
+ ATOM 586 CZ TYR A 72 22.391 15.725 11.890 1.00 0.00 C
588
+ ATOM 587 N ILE A 73 18.243 14.678 16.124 1.00 0.00 N
589
+ ATOM 588 CA ILE A 73 18.681 15.599 17.167 1.00 0.00 C
590
+ ATOM 589 C ILE A 73 20.105 15.252 17.596 1.00 0.00 C
591
+ ATOM 590 CB ILE A 73 17.731 15.565 18.386 1.00 0.00 C
592
+ ATOM 591 O ILE A 73 20.957 16.136 17.714 1.00 0.00 O
593
+ ATOM 592 CG1 ILE A 73 16.366 16.156 18.015 1.00 0.00 C
594
+ ATOM 593 CG2 ILE A 73 18.348 16.313 19.571 1.00 0.00 C
595
+ ATOM 594 CD1 ILE A 73 15.304 15.983 19.092 1.00 0.00 C
596
+ ATOM 595 N THR A 74 20.336 13.991 17.889 1.00 0.00 N
597
+ ATOM 596 CA THR A 74 21.663 13.420 18.089 1.00 0.00 C
598
+ ATOM 597 C THR A 74 22.067 12.559 16.895 1.00 0.00 C
599
+ ATOM 598 CB THR A 74 21.721 12.577 19.377 1.00 0.00 C
600
+ ATOM 599 O THR A 74 21.240 11.836 16.337 1.00 0.00 O
601
+ ATOM 600 CG2 THR A 74 21.127 13.337 20.558 1.00 0.00 C
602
+ ATOM 601 OG1 THR A 74 20.982 11.365 19.181 1.00 0.00 O
603
+ ATOM 602 N SER A 75 23.275 12.626 16.439 1.00 0.00 N
604
+ ATOM 603 CA SER A 75 23.728 11.969 15.217 1.00 0.00 C
605
+ ATOM 604 C SER A 75 23.641 10.451 15.340 1.00 0.00 C
606
+ ATOM 605 CB SER A 75 25.164 12.381 14.889 1.00 0.00 C
607
+ ATOM 606 O SER A 75 23.677 9.740 14.334 1.00 0.00 O
608
+ ATOM 607 OG SER A 75 26.029 12.099 15.975 1.00 0.00 O
609
+ ATOM 608 N ARG A 76 23.463 9.882 16.434 1.00 0.00 N
610
+ ATOM 609 CA ARG A 76 23.469 8.437 16.636 1.00 0.00 C
611
+ ATOM 610 C ARG A 76 22.121 7.826 16.266 1.00 0.00 C
612
+ ATOM 611 CB ARG A 76 23.818 8.098 18.087 1.00 0.00 C
613
+ ATOM 612 O ARG A 76 22.037 6.636 15.959 1.00 0.00 O
614
+ ATOM 613 CG ARG A 76 25.244 8.453 18.476 1.00 0.00 C
615
+ ATOM 614 CD ARG A 76 25.562 8.025 19.902 1.00 0.00 C
616
+ ATOM 615 NE ARG A 76 26.898 8.451 20.307 1.00 0.00 N
617
+ ATOM 616 NH1 ARG A 76 26.705 7.697 22.482 1.00 0.00 N
618
+ ATOM 617 NH2 ARG A 76 28.638 8.713 21.785 1.00 0.00 N
619
+ ATOM 618 CZ ARG A 76 27.411 8.286 21.524 1.00 0.00 C
620
+ ATOM 619 N THR A 77 21.201 8.626 16.241 1.00 0.00 N
621
+ ATOM 620 CA THR A 77 19.860 8.131 15.952 1.00 0.00 C
622
+ ATOM 621 C THR A 77 19.177 9.002 14.902 1.00 0.00 C
623
+ ATOM 622 CB THR A 77 18.995 8.084 17.225 1.00 0.00 C
624
+ ATOM 623 O THR A 77 18.911 10.181 15.144 1.00 0.00 O
625
+ ATOM 624 CG2 THR A 77 17.670 7.373 16.964 1.00 0.00 C
626
+ ATOM 625 OG1 THR A 77 19.706 7.382 18.253 1.00 0.00 O
627
+ ATOM 626 N GLN A 78 18.923 8.404 13.768 1.00 0.00 N
628
+ ATOM 627 CA GLN A 78 18.337 9.138 12.651 1.00 0.00 C
629
+ ATOM 628 C GLN A 78 16.948 8.605 12.311 1.00 0.00 C
630
+ ATOM 629 CB GLN A 78 19.243 9.059 11.421 1.00 0.00 C
631
+ ATOM 630 O GLN A 78 16.669 7.419 12.495 1.00 0.00 O
632
+ ATOM 631 CG GLN A 78 20.650 9.590 11.659 1.00 0.00 C
633
+ ATOM 632 CD GLN A 78 21.569 9.372 10.471 1.00 0.00 C
634
+ ATOM 633 NE2 GLN A 78 22.859 9.622 10.666 1.00 0.00 N
635
+ ATOM 634 OE1 GLN A 78 21.122 8.982 9.388 1.00 0.00 O
636
+ ATOM 635 N PHE A 79 16.190 9.539 11.713 1.00 0.00 N
637
+ ATOM 636 CA PHE A 79 14.817 9.172 11.387 1.00 0.00 C
638
+ ATOM 637 C PHE A 79 14.443 9.663 9.994 1.00 0.00 C
639
+ ATOM 638 CB PHE A 79 13.845 9.742 12.424 1.00 0.00 C
640
+ ATOM 639 O PHE A 79 14.917 10.711 9.551 1.00 0.00 O
641
+ ATOM 640 CG PHE A 79 14.188 9.374 13.843 1.00 0.00 C
642
+ ATOM 641 CD1 PHE A 79 13.746 8.176 14.390 1.00 0.00 C
643
+ ATOM 642 CD2 PHE A 79 14.951 10.227 14.629 1.00 0.00 C
644
+ ATOM 643 CE1 PHE A 79 14.061 7.834 15.704 1.00 0.00 C
645
+ ATOM 644 CE2 PHE A 79 15.270 9.892 15.942 1.00 0.00 C
646
+ ATOM 645 CZ PHE A 79 14.823 8.695 16.477 1.00 0.00 C
647
+ ATOM 646 N ASN A 80 13.544 8.891 9.394 1.00 0.00 N
648
+ ATOM 647 CA ASN A 80 13.150 9.216 8.027 1.00 0.00 C
649
+ ATOM 648 C ASN A 80 12.103 10.326 7.994 1.00 0.00 C
650
+ ATOM 649 CB ASN A 80 12.625 7.970 7.310 1.00 0.00 C
651
+ ATOM 650 O ASN A 80 11.832 10.899 6.937 1.00 0.00 O
652
+ ATOM 651 CG ASN A 80 13.708 6.938 7.065 1.00 0.00 C
653
+ ATOM 652 ND2 ASN A 80 13.322 5.668 7.041 1.00 0.00 N
654
+ ATOM 653 OD1 ASN A 80 14.883 7.279 6.900 1.00 0.00 O
655
+ ATOM 654 N SER A 81 11.517 10.598 9.077 1.00 0.00 N
656
+ ATOM 655 CA SER A 81 10.494 11.636 9.161 1.00 0.00 C
657
+ ATOM 656 C SER A 81 10.434 12.240 10.559 1.00 0.00 C
658
+ ATOM 657 CB SER A 81 9.125 11.071 8.781 1.00 0.00 C
659
+ ATOM 658 O SER A 81 10.902 11.633 11.525 1.00 0.00 O
660
+ ATOM 659 OG SER A 81 8.664 10.161 9.765 1.00 0.00 O
661
+ ATOM 660 N LEU A 82 9.866 13.459 10.624 1.00 0.00 N
662
+ ATOM 661 CA LEU A 82 9.667 14.100 11.920 1.00 0.00 C
663
+ ATOM 662 C LEU A 82 8.712 13.288 12.788 1.00 0.00 C
664
+ ATOM 663 CB LEU A 82 9.128 15.521 11.738 1.00 0.00 C
665
+ ATOM 664 O LEU A 82 8.845 13.265 14.013 1.00 0.00 O
666
+ ATOM 665 CG LEU A 82 10.113 16.556 11.194 1.00 0.00 C
667
+ ATOM 666 CD1 LEU A 82 9.391 17.862 10.879 1.00 0.00 C
668
+ ATOM 667 CD2 LEU A 82 11.245 16.792 12.190 1.00 0.00 C
669
+ ATOM 668 N GLN A 83 7.694 12.600 12.185 1.00 0.00 N
670
+ ATOM 669 CA GLN A 83 6.752 11.749 12.905 1.00 0.00 C
671
+ ATOM 670 C GLN A 83 7.474 10.608 13.616 1.00 0.00 C
672
+ ATOM 671 CB GLN A 83 5.697 11.189 11.951 1.00 0.00 C
673
+ ATOM 672 O GLN A 83 7.198 10.322 14.783 1.00 0.00 O
674
+ ATOM 673 CG GLN A 83 4.746 12.243 11.399 1.00 0.00 C
675
+ ATOM 674 CD GLN A 83 5.184 12.779 10.049 1.00 0.00 C
676
+ ATOM 675 NE2 GLN A 83 4.218 13.178 9.228 1.00 0.00 N
677
+ ATOM 676 OE1 GLN A 83 6.381 12.835 9.747 1.00 0.00 O
678
+ ATOM 677 N GLN A 84 8.419 10.014 12.905 1.00 0.00 N
679
+ ATOM 678 CA GLN A 84 9.179 8.928 13.516 1.00 0.00 C
680
+ ATOM 679 C GLN A 84 10.046 9.440 14.662 1.00 0.00 C
681
+ ATOM 680 CB GLN A 84 10.049 8.227 12.472 1.00 0.00 C
682
+ ATOM 681 O GLN A 84 10.200 8.765 15.682 1.00 0.00 O
683
+ ATOM 682 CG GLN A 84 9.260 7.371 11.489 1.00 0.00 C
684
+ ATOM 683 CD GLN A 84 10.149 6.674 10.475 1.00 0.00 C
685
+ ATOM 684 NE2 GLN A 84 9.531 5.990 9.518 1.00 0.00 N
686
+ ATOM 685 OE1 GLN A 84 11.378 6.749 10.552 1.00 0.00 O
687
+ ATOM 686 N LEU A 85 10.604 10.612 14.429 1.00 0.00 N
688
+ ATOM 687 CA LEU A 85 11.423 11.229 15.467 1.00 0.00 C
689
+ ATOM 688 C LEU A 85 10.602 11.486 16.725 1.00 0.00 C
690
+ ATOM 689 CB LEU A 85 12.030 12.541 14.961 1.00 0.00 C
691
+ ATOM 690 O LEU A 85 10.998 11.085 17.822 1.00 0.00 O
692
+ ATOM 691 CG LEU A 85 12.947 13.282 15.934 1.00 0.00 C
693
+ ATOM 692 CD1 LEU A 85 14.061 13.996 15.174 1.00 0.00 C
694
+ ATOM 693 CD2 LEU A 85 12.149 14.271 16.776 1.00 0.00 C
695
+ ATOM 694 N VAL A 86 9.434 12.087 16.599 1.00 0.00 N
696
+ ATOM 695 CA VAL A 86 8.574 12.408 17.735 1.00 0.00 C
697
+ ATOM 696 C VAL A 86 8.093 11.120 18.399 1.00 0.00 C
698
+ ATOM 697 CB VAL A 86 7.367 13.272 17.307 1.00 0.00 C
699
+ ATOM 698 O VAL A 86 8.067 11.019 19.628 1.00 0.00 O
700
+ ATOM 699 CG1 VAL A 86 6.346 13.372 18.440 1.00 0.00 C
701
+ ATOM 700 CG2 VAL A 86 7.832 14.661 16.877 1.00 0.00 C
702
+ ATOM 701 N ALA A 87 7.726 10.105 17.601 1.00 0.00 N
703
+ ATOM 702 CA ALA A 87 7.273 8.829 18.148 1.00 0.00 C
704
+ ATOM 703 C ALA A 87 8.364 8.174 18.988 1.00 0.00 C
705
+ ATOM 704 CB ALA A 87 6.838 7.893 17.023 1.00 0.00 C
706
+ ATOM 705 O ALA A 87 8.093 7.650 20.071 1.00 0.00 O
707
+ ATOM 706 N TYR A 88 9.551 8.260 18.478 1.00 0.00 N
708
+ ATOM 707 CA TYR A 88 10.672 7.675 19.204 1.00 0.00 C
709
+ ATOM 708 C TYR A 88 10.877 8.373 20.545 1.00 0.00 C
710
+ ATOM 709 CB TYR A 88 11.955 7.759 18.371 1.00 0.00 C
711
+ ATOM 710 O TYR A 88 10.991 7.716 21.583 1.00 0.00 O
712
+ ATOM 711 CG TYR A 88 13.174 7.218 19.079 1.00 0.00 C
713
+ ATOM 712 CD1 TYR A 88 13.466 5.855 19.060 1.00 0.00 C
714
+ ATOM 713 CD2 TYR A 88 14.035 8.066 19.766 1.00 0.00 C
715
+ ATOM 714 CE1 TYR A 88 14.588 5.352 19.711 1.00 0.00 C
716
+ ATOM 715 CE2 TYR A 88 15.159 7.573 20.420 1.00 0.00 C
717
+ ATOM 716 OH TYR A 88 16.538 5.724 21.034 1.00 0.00 O
718
+ ATOM 717 CZ TYR A 88 15.427 6.217 20.387 1.00 0.00 C
719
+ ATOM 718 N TYR A 89 10.919 9.670 20.582 1.00 0.00 N
720
+ ATOM 719 CA TYR A 89 11.217 10.404 21.806 1.00 0.00 C
721
+ ATOM 720 C TYR A 89 10.008 10.431 22.734 1.00 0.00 C
722
+ ATOM 721 CB TYR A 89 11.657 11.835 21.482 1.00 0.00 C
723
+ ATOM 722 O TYR A 89 10.106 10.876 23.879 1.00 0.00 O
724
+ ATOM 723 CG TYR A 89 13.099 11.944 21.052 1.00 0.00 C
725
+ ATOM 724 CD1 TYR A 89 14.134 11.627 21.928 1.00 0.00 C
726
+ ATOM 725 CD2 TYR A 89 13.430 12.365 19.768 1.00 0.00 C
727
+ ATOM 726 CE1 TYR A 89 15.465 11.727 21.537 1.00 0.00 C
728
+ ATOM 727 CE2 TYR A 89 14.757 12.470 19.366 1.00 0.00 C
729
+ ATOM 728 OH TYR A 89 17.082 12.250 19.863 1.00 0.00 O
730
+ ATOM 729 CZ TYR A 89 15.767 12.149 20.256 1.00 0.00 C
731
+ ATOM 730 N SER A 90 8.860 10.010 22.227 1.00 0.00 N
732
+ ATOM 731 CA SER A 90 7.703 9.793 23.090 1.00 0.00 C
733
+ ATOM 732 C SER A 90 7.875 8.536 23.937 1.00 0.00 C
734
+ ATOM 733 CB SER A 90 6.425 9.688 22.258 1.00 0.00 C
735
+ ATOM 734 O SER A 90 7.241 8.397 24.985 1.00 0.00 O
736
+ ATOM 735 OG SER A 90 6.128 10.926 21.633 1.00 0.00 O
737
+ ATOM 736 N LYS A 91 8.831 7.685 23.531 1.00 0.00 N
738
+ ATOM 737 CA LYS A 91 9.070 6.431 24.238 1.00 0.00 C
739
+ ATOM 738 C LYS A 91 10.412 6.456 24.963 1.00 0.00 C
740
+ ATOM 739 CB LYS A 91 9.021 5.249 23.268 1.00 0.00 C
741
+ ATOM 740 O LYS A 91 10.602 5.748 25.954 1.00 0.00 O
742
+ ATOM 741 CG LYS A 91 7.655 5.024 22.636 1.00 0.00 C
743
+ ATOM 742 CD LYS A 91 7.669 3.833 21.686 1.00 0.00 C
744
+ ATOM 743 CE LYS A 91 6.327 3.659 20.987 1.00 0.00 C
745
+ ATOM 744 NZ LYS A 91 6.350 2.522 20.020 1.00 0.00 N
746
+ ATOM 745 N HIS A 92 11.329 7.308 24.424 1.00 0.00 N
747
+ ATOM 746 CA HIS A 92 12.692 7.377 24.938 1.00 0.00 C
748
+ ATOM 747 C HIS A 92 13.136 8.823 25.134 1.00 0.00 C
749
+ ATOM 748 CB HIS A 92 13.657 6.654 23.996 1.00 0.00 C
750
+ ATOM 749 O HIS A 92 12.945 9.660 24.249 1.00 0.00 O
751
+ ATOM 750 CG HIS A 92 13.203 5.283 23.609 1.00 0.00 C
752
+ ATOM 751 CD2 HIS A 92 13.415 4.079 24.189 1.00 0.00 C
753
+ ATOM 752 ND1 HIS A 92 12.432 5.043 22.492 1.00 0.00 N
754
+ ATOM 753 CE1 HIS A 92 12.189 3.746 22.404 1.00 0.00 C
755
+ ATOM 754 NE2 HIS A 92 12.774 3.139 23.421 1.00 0.00 N
756
+ ATOM 755 N ALA A 93 13.724 9.139 26.258 1.00 0.00 N
757
+ ATOM 756 CA ALA A 93 14.236 10.498 26.423 1.00 0.00 C
758
+ ATOM 757 C ALA A 93 15.557 10.679 25.681 1.00 0.00 C
759
+ ATOM 758 CB ALA A 93 14.412 10.823 27.904 1.00 0.00 C
760
+ ATOM 759 O ALA A 93 15.754 11.678 24.985 1.00 0.00 O
761
+ ATOM 760 N ASP A 94 16.415 9.773 25.572 1.00 0.00 N
762
+ ATOM 761 CA ASP A 94 17.669 9.594 24.846 1.00 0.00 C
763
+ ATOM 762 C ASP A 94 18.386 10.927 24.651 1.00 0.00 C
764
+ ATOM 763 CB ASP A 94 17.415 8.930 23.492 1.00 0.00 C
765
+ ATOM 764 O ASP A 94 18.709 11.306 23.522 1.00 0.00 O
766
+ ATOM 765 CG ASP A 94 17.270 7.422 23.587 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 94 17.432 6.863 24.694 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 94 16.995 6.786 22.548 1.00 0.00 O
769
+ ATOM 768 N GLY A 95 18.742 11.660 25.640 1.00 0.00 N
770
+ ATOM 769 CA GLY A 95 19.474 12.916 25.576 1.00 0.00 C
771
+ ATOM 770 C GLY A 95 18.590 14.132 25.776 1.00 0.00 C
772
+ ATOM 771 O GLY A 95 19.089 15.250 25.922 1.00 0.00 O
773
+ ATOM 772 N LEU A 96 17.311 13.965 25.701 1.00 0.00 N
774
+ ATOM 773 CA LEU A 96 16.375 15.041 26.005 1.00 0.00 C
775
+ ATOM 774 C LEU A 96 16.193 15.195 27.512 1.00 0.00 C
776
+ ATOM 775 CB LEU A 96 15.021 14.777 25.341 1.00 0.00 C
777
+ ATOM 776 O LEU A 96 16.513 14.282 28.275 1.00 0.00 O
778
+ ATOM 777 CG LEU A 96 15.032 14.611 23.819 1.00 0.00 C
779
+ ATOM 778 CD1 LEU A 96 13.610 14.660 23.271 1.00 0.00 C
780
+ ATOM 779 CD2 LEU A 96 15.899 15.686 23.171 1.00 0.00 C
781
+ ATOM 780 N CYS A 97 15.694 16.302 27.897 1.00 0.00 N
782
+ ATOM 781 CA CYS A 97 15.425 16.575 29.305 1.00 0.00 C
783
+ ATOM 782 C CYS A 97 14.349 15.642 29.846 1.00 0.00 C
784
+ ATOM 783 CB CYS A 97 14.995 18.029 29.496 1.00 0.00 C
785
+ ATOM 784 O CYS A 97 14.316 15.353 31.044 1.00 0.00 O
786
+ ATOM 785 SG CYS A 97 13.499 18.472 28.586 1.00 0.00 S
787
+ ATOM 786 N HIS A 98 13.481 15.252 29.013 1.00 0.00 N
788
+ ATOM 787 CA HIS A 98 12.376 14.353 29.323 1.00 0.00 C
789
+ ATOM 788 C HIS A 98 11.805 13.725 28.056 1.00 0.00 C
790
+ ATOM 789 CB HIS A 98 11.276 15.097 30.081 1.00 0.00 C
791
+ ATOM 790 O HIS A 98 11.952 14.276 26.963 1.00 0.00 O
792
+ ATOM 791 CG HIS A 98 10.336 14.195 30.815 1.00 0.00 C
793
+ ATOM 792 CD2 HIS A 98 10.229 13.906 32.133 1.00 0.00 C
794
+ ATOM 793 ND1 HIS A 98 9.357 13.464 30.178 1.00 0.00 N
795
+ ATOM 794 CE1 HIS A 98 8.686 12.761 31.077 1.00 0.00 C
796
+ ATOM 795 NE2 HIS A 98 9.196 13.012 32.271 1.00 0.00 N
797
+ ATOM 796 N ARG A 99 11.214 12.624 28.243 1.00 0.00 N
798
+ ATOM 797 CA ARG A 99 10.467 12.087 27.110 1.00 0.00 C
799
+ ATOM 798 C ARG A 99 9.297 12.995 26.748 1.00 0.00 C
800
+ ATOM 799 CB ARG A 99 9.961 10.677 27.419 1.00 0.00 C
801
+ ATOM 800 O ARG A 99 8.779 13.719 27.600 1.00 0.00 O
802
+ ATOM 801 CG ARG A 99 8.990 10.612 28.587 1.00 0.00 C
803
+ ATOM 802 CD ARG A 99 8.551 9.184 28.877 1.00 0.00 C
804
+ ATOM 803 NE ARG A 99 7.741 9.105 30.089 1.00 0.00 N
805
+ ATOM 804 NH1 ARG A 99 5.713 9.139 28.983 1.00 0.00 N
806
+ ATOM 805 NH2 ARG A 99 5.773 9.011 31.270 1.00 0.00 N
807
+ ATOM 806 CZ ARG A 99 6.411 9.086 30.111 1.00 0.00 C
808
+ ATOM 807 N LEU A 100 8.839 12.939 25.434 1.00 0.00 N
809
+ ATOM 808 CA LEU A 100 7.699 13.723 24.972 1.00 0.00 C
810
+ ATOM 809 C LEU A 100 6.387 13.108 25.449 1.00 0.00 C
811
+ ATOM 810 CB LEU A 100 7.701 13.826 23.444 1.00 0.00 C
812
+ ATOM 811 O LEU A 100 6.030 12.002 25.036 1.00 0.00 O
813
+ ATOM 812 CG LEU A 100 9.028 14.225 22.794 1.00 0.00 C
814
+ ATOM 813 CD1 LEU A 100 8.896 14.219 21.275 1.00 0.00 C
815
+ ATOM 814 CD2 LEU A 100 9.475 15.595 23.292 1.00 0.00 C
816
+ ATOM 815 N THR A 101 5.575 13.797 26.258 1.00 0.00 N
817
+ ATOM 816 CA THR A 101 4.433 13.173 26.915 1.00 0.00 C
818
+ ATOM 817 C THR A 101 3.123 13.757 26.394 1.00 0.00 C
819
+ ATOM 818 CB THR A 101 4.503 13.347 28.443 1.00 0.00 C
820
+ ATOM 819 O THR A 101 2.140 13.033 26.221 1.00 0.00 O
821
+ ATOM 820 CG2 THR A 101 5.700 12.603 29.027 1.00 0.00 C
822
+ ATOM 821 OG1 THR A 101 4.624 14.741 28.754 1.00 0.00 O
823
+ ATOM 822 N THR A 102 3.097 15.047 26.209 1.00 0.00 N
824
+ ATOM 823 CA THR A 102 1.870 15.740 25.836 1.00 0.00 C
825
+ ATOM 824 C THR A 102 2.144 16.785 24.758 1.00 0.00 C
826
+ ATOM 825 CB THR A 102 1.218 16.416 27.056 1.00 0.00 C
827
+ ATOM 826 O THR A 102 3.100 17.556 24.863 1.00 0.00 O
828
+ ATOM 827 CG2 THR A 102 -0.137 17.018 26.693 1.00 0.00 C
829
+ ATOM 828 OG1 THR A 102 1.033 15.445 28.092 1.00 0.00 O
830
+ ATOM 829 N VAL A 103 1.299 16.796 23.788 1.00 0.00 N
831
+ ATOM 830 CA VAL A 103 1.376 17.846 22.778 1.00 0.00 C
832
+ ATOM 831 C VAL A 103 0.920 19.175 23.377 1.00 0.00 C
833
+ ATOM 832 CB VAL A 103 0.525 17.503 21.536 1.00 0.00 C
834
+ ATOM 833 O VAL A 103 -0.066 19.224 24.116 1.00 0.00 O
835
+ ATOM 834 CG1 VAL A 103 0.515 18.668 20.548 1.00 0.00 C
836
+ ATOM 835 CG2 VAL A 103 1.049 16.234 20.865 1.00 0.00 C
837
+ ATOM 836 N CYS A 104 1.713 20.159 23.165 1.00 0.00 N
838
+ ATOM 837 CA CYS A 104 1.344 21.490 23.635 1.00 0.00 C
839
+ ATOM 838 C CYS A 104 -0.047 21.874 23.147 1.00 0.00 C
840
+ ATOM 839 CB CYS A 104 2.363 22.526 23.164 1.00 0.00 C
841
+ ATOM 840 O CYS A 104 -0.365 21.707 21.968 1.00 0.00 O
842
+ ATOM 841 SG CYS A 104 2.116 24.167 23.877 1.00 0.00 S
843
+ ATOM 842 N PRO A 105 -0.997 22.344 24.001 1.00 0.00 N
844
+ ATOM 843 CA PRO A 105 -2.348 22.709 23.567 1.00 0.00 C
845
+ ATOM 844 C PRO A 105 -2.367 23.952 22.680 1.00 0.00 C
846
+ ATOM 845 CB PRO A 105 -3.083 22.967 24.884 1.00 0.00 C
847
+ ATOM 846 O PRO A 105 -1.487 24.809 22.792 1.00 0.00 O
848
+ ATOM 847 CG PRO A 105 -2.000 23.181 25.892 1.00 0.00 C
849
+ ATOM 848 CD PRO A 105 -0.723 22.602 25.350 1.00 0.00 C
850
+ ATOM 849 OXT PRO A 105 -3.383 23.507 22.193 1.00 0.00 O
851
+ TER 850 PRO A 105
852
+ END
1o4f/1o4f_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oba/1oba_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oba/1oba_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w83/1w83_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1w83_ligand
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+ 52 55 1 0 0
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10
+
11
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12
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19
+ 7 O18 3.1410 9.7200 32.2250 O.3 1 L11 -0.2977
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+ 9 C24 1.3990 8.1140 31.9190 C.ar 1 L11 0.0398
22
+ 10 N23 0.3170 7.6850 31.2590 N.ar 1 L11 -0.3071
23
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24
+ 12 C21 0.3440 9.5770 29.8220 C.ar 1 L11 -0.0426
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+ 13 C20 1.4810 10.0600 30.4730 C.ar 1 L11 -0.0129
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+ 15 C11 6.2190 12.8370 33.7480 C.ar 1 L11 0.0597
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29
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+ 52 H21 7.5585 16.0191 41.7189 H 1 L11 0.0536
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+ @<TRIPOS>BOND
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67
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68
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69
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70
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72
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+
1w83/1w83_ligand.sdf ADDED
@@ -0,0 +1,113 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1w83_ligand
2
+ -I-interpret-
3
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4
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+ M END
113
+ $$$$
1w83/1w83_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w83/1w83_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xjd/1xjd_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xjd/1xjd_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2aof/2aof_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2aof_ligand
7
+ 171 173 1 0 0
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+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 29.7560 24.5050 18.7370 N.4 1 ARG 0.2379
14
+ 2 CA 28.9570 25.5690 18.1580 C.3 1 ARG 0.0653
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16
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21
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22
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23
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24
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26
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29
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32
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35
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41
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42
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43
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44
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48
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61
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62
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+ $$$$
2aof/2aof_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2aof/2aof_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hwp/2hwp_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
3
+ ###
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+
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2hwp/2hwp_ligand.sdf ADDED
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2hwp/2hwp_protein_processed_fix.pdb ADDED
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2ra0/2ra0_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ra0/2ra0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff