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Add batch 193

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  1. 1fpy/1fpy_ligand.mol2 +59 -0
  2. 1fpy/1fpy_ligand.sdf +53 -0
  3. 1fpy/1fpy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1fpy/1fpy_protein_processed_fix.pdb +0 -0
  5. 1hlf/1hlf_ligand.mol2 +75 -0
  6. 1hlf/1hlf_ligand.sdf +65 -0
  7. 1hlf/1hlf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1hlf/1hlf_protein_processed_fix.pdb +0 -0
  9. 1jzs/1jzs_ligand.mol2 +173 -0
  10. 1jzs/1jzs_ligand.sdf +165 -0
  11. 1jzs/1jzs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1jzs/1jzs_protein_processed_fix.pdb +0 -0
  13. 1ppx/1ppx_ligand.mol2 +90 -0
  14. 1ppx/1ppx_ligand.sdf +84 -0
  15. 1ppx/1ppx_protein_esmfold_aligned_tr_fix.pdb +1056 -0
  16. 1ppx/1ppx_protein_processed_fix.pdb +0 -0
  17. 1qkt/1qkt_ligand.mol2 +107 -0
  18. 1qkt/1qkt_ligand.sdf +97 -0
  19. 1qkt/1qkt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1qkt/1qkt_protein_processed_fix.pdb +0 -0
  21. 1rnt/1rnt_ligand.mol2 +90 -0
  22. 1rnt/1rnt_ligand.sdf +84 -0
  23. 1rnt/1rnt_protein_esmfold_aligned_tr_fix.pdb +788 -0
  24. 1rnt/1rnt_protein_processed_fix.pdb +0 -0
  25. 1rs2/1rs2_ligand.mol2 +65 -0
  26. 1rs2/1rs2_ligand.sdf +53 -0
  27. 1rs2/1rs2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1rs2/1rs2_protein_processed_fix.pdb +0 -0
  29. 1ujj/1ujj_ligand.mol2 +249 -0
  30. 1ujj/1ujj_ligand.sdf +245 -0
  31. 1ujj/1ujj_protein_esmfold_aligned_tr_fix.pdb +1128 -0
  32. 1ujj/1ujj_protein_processed_fix.pdb +0 -0
  33. 1xb7/1xb7_ligand.mol2 +332 -0
  34. 1xb7/1xb7_ligand.sdf +324 -0
  35. 1xb7/1xb7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1xb7/1xb7_protein_processed_fix.pdb +0 -0
  37. 2e92/2e92_ligand.mol2 +73 -0
  38. 2e92/2e92_ligand.sdf +71 -0
  39. 2e92/2e92_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2e92/2e92_protein_processed_fix.pdb +0 -0
  41. 2fjm/2fjm_ligand.mol2 +158 -0
  42. 2fjm/2fjm_ligand.sdf +152 -0
  43. 2fjm/2fjm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2fjm/2fjm_protein_processed_fix.pdb +0 -0
  45. 2ggd/2ggd_ligand.mol2 +47 -0
  46. 2ggd/2ggd_ligand.sdf +43 -0
  47. 2ggd/2ggd_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2ggd/2ggd_protein_processed_fix.pdb +0 -0
  49. 2j75/2j75_ligand.mol2 +66 -0
  50. 2j75/2j75_ligand.sdf +56 -0
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1fpy/1fpy_protein_esmfold_aligned_tr_fix.pdb ADDED
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1fpy/1fpy_protein_processed_fix.pdb ADDED
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1hlf/1hlf_ligand.mol2 ADDED
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1hlf/1hlf_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hlf/1hlf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jzs/1jzs_ligand.mol2 ADDED
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1jzs/1jzs_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ M END
84
+ $$$$
1ppx/1ppx_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1056 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C MET A 1 -12.428 -17.859 -0.869 1.00 80.00 C
2
+ ATOM 2 CA MET A 1 -13.584 -18.211 0.062 1.00 80.79 C
3
+ ATOM 3 CB MET A 1 -13.049 -18.541 1.458 1.00 73.35 C
4
+ ATOM 4 CE MET A 1 -12.040 -18.620 4.635 1.00 55.45 C
5
+ ATOM 5 CG MET A 1 -12.413 -17.356 2.166 1.00 64.62 C
6
+ ATOM 6 N MET A 1 -14.358 -19.329 -0.470 1.00 78.25 N
7
+ ATOM 7 O MET A 1 -11.562 -18.693 -1.132 1.00 73.94 O
8
+ ATOM 8 SD MET A 1 -12.941 -17.218 3.918 1.00 61.50 S
9
+ ATOM 9 C LYS A 2 -10.010 -15.872 -1.514 1.00 85.87 C
10
+ ATOM 10 CA LYS A 2 -11.265 -16.223 -2.308 1.00 84.49 C
11
+ ATOM 11 CB LYS A 2 -11.723 -15.013 -3.125 1.00 81.12 C
12
+ ATOM 12 CD LYS A 2 -11.395 -13.559 -5.153 1.00 68.19 C
13
+ ATOM 13 CE LYS A 2 -10.474 -13.204 -6.311 1.00 59.87 C
14
+ ATOM 14 CG LYS A 2 -10.814 -14.676 -4.296 1.00 71.55 C
15
+ ATOM 15 N LYS A 2 -12.335 -16.681 -1.427 1.00 84.13 N
16
+ ATOM 16 NZ LYS A 2 -11.074 -12.161 -7.197 1.00 51.02 N
17
+ ATOM 17 O LYS A 2 -10.096 -15.276 -0.438 1.00 84.08 O
18
+ ATOM 18 C LYS A 3 -6.941 -15.002 -2.213 1.00 88.18 C
19
+ ATOM 19 CA LYS A 3 -7.679 -16.021 -1.348 1.00 88.21 C
20
+ ATOM 20 CB LYS A 3 -6.813 -17.268 -1.155 1.00 85.98 C
21
+ ATOM 21 CD LYS A 3 -6.436 -19.445 0.050 1.00 76.45 C
22
+ ATOM 22 CE LYS A 3 -6.997 -20.441 1.056 1.00 69.80 C
23
+ ATOM 23 CG LYS A 3 -7.364 -18.252 -0.134 1.00 79.81 C
24
+ ATOM 24 N LYS A 3 -8.966 -16.377 -1.936 1.00 87.96 N
25
+ ATOM 25 NZ LYS A 3 -6.101 -21.624 1.223 1.00 61.68 N
26
+ ATOM 26 O LYS A 3 -6.784 -15.202 -3.419 1.00 86.37 O
27
+ ATOM 27 C LEU A 4 -4.612 -12.491 -1.687 1.00 89.98 C
28
+ ATOM 28 CA LEU A 4 -5.945 -12.860 -2.330 1.00 89.17 C
29
+ ATOM 29 CB LEU A 4 -6.856 -11.630 -2.387 1.00 87.41 C
30
+ ATOM 30 CD1 LEU A 4 -9.079 -10.584 -2.885 1.00 72.20 C
31
+ ATOM 31 CD2 LEU A 4 -8.005 -12.106 -4.566 1.00 72.17 C
32
+ ATOM 32 CG LEU A 4 -8.205 -11.818 -3.083 1.00 79.79 C
33
+ ATOM 33 N LEU A 4 -6.593 -13.943 -1.599 1.00 89.04 N
34
+ ATOM 34 O LEU A 4 -4.473 -12.541 -0.463 1.00 89.46 O
35
+ ATOM 35 C GLN A 5 -2.278 -10.206 -2.558 1.00 92.34 C
36
+ ATOM 36 CA GLN A 5 -2.438 -11.634 -2.044 1.00 92.07 C
37
+ ATOM 37 CB GLN A 5 -1.279 -12.502 -2.538 1.00 90.76 C
38
+ ATOM 38 CD GLN A 5 0.023 -14.624 -2.083 1.00 81.21 C
39
+ ATOM 39 CG GLN A 5 -1.329 -13.938 -2.035 1.00 84.86 C
40
+ ATOM 40 N GLN A 5 -3.717 -12.202 -2.457 1.00 91.84 N
41
+ ATOM 41 NE2 GLN A 5 0.014 -15.953 -2.082 1.00 76.15 N
42
+ ATOM 42 O GLN A 5 -2.405 -9.956 -3.759 1.00 91.81 O
43
+ ATOM 43 OE1 GLN A 5 1.067 -13.966 -2.122 1.00 79.33 O
44
+ ATOM 44 C ILE A 6 -0.597 -7.356 -1.597 1.00 93.11 C
45
+ ATOM 45 CA ILE A 6 -1.961 -7.929 -1.974 1.00 92.58 C
46
+ ATOM 46 CB ILE A 6 -3.087 -7.150 -1.257 1.00 91.52 C
47
+ ATOM 47 CD1 ILE A 6 -4.877 -7.816 -2.965 1.00 77.68 C
48
+ ATOM 48 CG1 ILE A 6 -4.443 -7.821 -1.506 1.00 83.15 C
49
+ ATOM 49 CG2 ILE A 6 -3.106 -5.689 -1.712 1.00 83.10 C
50
+ ATOM 50 N ILE A 6 -2.006 -9.351 -1.649 1.00 92.38 N
51
+ ATOM 51 O ILE A 6 -0.115 -7.567 -0.482 1.00 92.82 O
52
+ ATOM 52 C ALA A 7 0.926 -4.397 -2.004 1.00 94.26 C
53
+ ATOM 53 CA ALA A 7 1.261 -5.874 -2.195 1.00 94.25 C
54
+ ATOM 54 CB ALA A 7 2.275 -6.045 -3.322 1.00 93.49 C
55
+ ATOM 55 N ALA A 7 0.056 -6.654 -2.471 1.00 94.06 N
56
+ ATOM 56 O ALA A 7 0.269 -3.788 -2.850 1.00 93.78 O
57
+ ATOM 57 C VAL A 8 2.243 -1.694 -0.241 1.00 94.98 C
58
+ ATOM 58 CA VAL A 8 0.993 -2.522 -0.533 1.00 94.80 C
59
+ ATOM 59 CB VAL A 8 0.062 -2.533 0.700 1.00 93.99 C
60
+ ATOM 60 CG1 VAL A 8 -0.348 -1.111 1.080 1.00 88.34 C
61
+ ATOM 61 CG2 VAL A 8 -1.172 -3.393 0.428 1.00 88.36 C
62
+ ATOM 62 N VAL A 8 1.376 -3.873 -0.928 1.00 94.62 N
63
+ ATOM 63 O VAL A 8 3.154 -2.157 0.450 1.00 94.70 O
64
+ ATOM 64 C GLY A 9 3.030 1.465 0.574 1.00 95.08 C
65
+ ATOM 65 CA GLY A 9 3.379 0.403 -0.452 1.00 95.14 C
66
+ ATOM 66 N GLY A 9 2.277 -0.501 -0.738 1.00 95.04 N
67
+ ATOM 67 O GLY A 9 1.998 2.128 0.461 1.00 94.60 O
68
+ ATOM 68 C ILE A 10 4.787 3.781 2.170 1.00 95.67 C
69
+ ATOM 69 CA ILE A 10 3.720 2.745 2.519 1.00 95.77 C
70
+ ATOM 70 CB ILE A 10 3.895 2.268 3.979 1.00 95.35 C
71
+ ATOM 71 CD1 ILE A 10 3.147 0.441 5.613 1.00 91.52 C
72
+ ATOM 72 CG1 ILE A 10 2.867 1.180 4.312 1.00 93.85 C
73
+ ATOM 73 CG2 ILE A 10 3.780 3.445 4.950 1.00 93.69 C
74
+ ATOM 74 N ILE A 10 3.788 1.631 1.581 1.00 95.72 N
75
+ ATOM 75 O ILE A 10 5.957 3.619 2.525 1.00 95.21 O
76
+ ATOM 76 C ILE A 11 5.468 6.893 2.024 1.00 94.71 C
77
+ ATOM 77 CA ILE A 11 5.334 5.796 0.970 1.00 95.08 C
78
+ ATOM 78 CB ILE A 11 4.878 6.400 -0.377 1.00 94.62 C
79
+ ATOM 79 CD1 ILE A 11 3.719 5.719 -2.559 1.00 90.31 C
80
+ ATOM 80 CG1 ILE A 11 4.601 5.288 -1.395 1.00 92.89 C
81
+ ATOM 81 CG2 ILE A 11 5.925 7.383 -0.910 1.00 92.39 C
82
+ ATOM 82 N ILE A 11 4.405 4.773 1.438 1.00 94.98 N
83
+ ATOM 83 O ILE A 11 4.521 7.642 2.274 1.00 93.99 O
84
+ ATOM 84 C ARG A 12 7.973 8.909 3.283 1.00 94.25 C
85
+ ATOM 85 CA ARG A 12 6.878 7.919 3.661 1.00 94.47 C
86
+ ATOM 86 CB ARG A 12 7.262 7.177 4.943 1.00 93.60 C
87
+ ATOM 87 CD ARG A 12 7.776 7.293 7.407 1.00 88.49 C
88
+ ATOM 88 CG ARG A 12 7.455 8.086 6.147 1.00 90.65 C
89
+ ATOM 89 CZ ARG A 12 9.698 6.049 8.341 1.00 82.67 C
90
+ ATOM 90 N ARG A 12 6.626 6.975 2.577 1.00 94.55 N
91
+ ATOM 91 NE ARG A 12 9.173 6.869 7.435 1.00 85.44 N
92
+ ATOM 92 NH1 ARG A 12 8.948 5.548 9.316 1.00 74.50 N
93
+ ATOM 93 NH2 ARG A 12 10.982 5.729 8.273 1.00 73.43 N
94
+ ATOM 94 O ARG A 12 9.076 8.508 2.903 1.00 93.53 O
95
+ ATOM 95 C ASN A 13 9.389 11.668 4.328 1.00 92.39 C
96
+ ATOM 96 CA ASN A 13 8.635 11.173 3.096 1.00 92.83 C
97
+ ATOM 97 CB ASN A 13 7.971 12.346 2.372 1.00 92.27 C
98
+ ATOM 98 CG ASN A 13 7.052 13.144 3.275 1.00 91.09 C
99
+ ATOM 99 N ASN A 13 7.645 10.160 3.446 1.00 92.96 N
100
+ ATOM 100 ND2 ASN A 13 6.165 13.928 2.674 1.00 89.79 N
101
+ ATOM 101 O ASN A 13 9.135 11.211 5.442 1.00 91.33 O
102
+ ATOM 102 OD1 ASN A 13 7.138 13.058 4.502 1.00 89.56 O
103
+ ATOM 103 C GLU A 14 10.445 13.856 6.323 1.00 90.93 C
104
+ ATOM 104 CA GLU A 14 11.203 13.061 5.264 1.00 90.87 C
105
+ ATOM 105 CB GLU A 14 12.340 13.907 4.686 1.00 88.79 C
106
+ ATOM 106 CD GLU A 14 14.340 14.013 3.122 1.00 73.76 C
107
+ ATOM 107 CG GLU A 14 13.225 13.156 3.701 1.00 78.96 C
108
+ ATOM 108 N GLU A 14 10.309 12.608 4.203 1.00 91.30 N
109
+ ATOM 109 O GLU A 14 10.923 14.015 7.448 1.00 89.61 O
110
+ ATOM 110 OE1 GLU A 14 14.339 15.244 3.350 1.00 68.90 O
111
+ ATOM 111 OE2 GLU A 14 15.220 13.449 2.435 1.00 65.60 O
112
+ ATOM 112 C ASN A 15 7.531 14.138 7.697 1.00 90.85 C
113
+ ATOM 113 CA ASN A 15 8.478 15.039 6.911 1.00 91.10 C
114
+ ATOM 114 CB ASN A 15 7.690 16.125 6.176 1.00 89.68 C
115
+ ATOM 115 CG ASN A 15 8.585 17.192 5.575 1.00 84.06 C
116
+ ATOM 116 N ASN A 15 9.293 14.274 5.973 1.00 91.35 N
117
+ ATOM 117 ND2 ASN A 15 8.181 17.730 4.430 1.00 78.33 N
118
+ ATOM 118 O ASN A 15 6.609 14.622 8.355 1.00 89.48 O
119
+ ATOM 119 OD1 ASN A 15 9.631 17.528 6.135 1.00 79.08 O
120
+ ATOM 120 C ASN A 16 5.418 11.916 7.797 1.00 92.17 C
121
+ ATOM 121 CA ASN A 16 6.868 11.875 8.270 1.00 92.10 C
122
+ ATOM 122 CB ASN A 16 6.938 12.062 9.787 1.00 90.09 C
123
+ ATOM 123 CG ASN A 16 8.155 11.399 10.403 1.00 82.30 C
124
+ ATOM 124 N ASN A 16 7.683 12.877 7.593 1.00 92.13 N
125
+ ATOM 125 ND2 ASN A 16 8.690 12.004 11.456 1.00 74.00 N
126
+ ATOM 126 O ASN A 16 4.497 11.715 8.589 1.00 90.70 O
127
+ ATOM 127 OD1 ASN A 16 8.609 10.352 9.934 1.00 73.88 O
128
+ ATOM 128 C GLU A 17 3.833 10.893 5.004 1.00 93.78 C
129
+ ATOM 129 CA GLU A 17 3.932 12.144 5.874 1.00 93.71 C
130
+ ATOM 130 CB GLU A 17 3.681 13.394 5.026 1.00 92.94 C
131
+ ATOM 131 CD GLU A 17 3.783 15.930 4.920 1.00 87.57 C
132
+ ATOM 132 CG GLU A 17 3.774 14.696 5.809 1.00 89.96 C
133
+ ATOM 133 N GLU A 17 5.229 12.226 6.538 1.00 93.58 N
134
+ ATOM 134 O GLU A 17 4.824 10.470 4.404 1.00 93.33 O
135
+ ATOM 135 OE1 GLU A 17 4.440 15.907 3.855 1.00 85.75 O
136
+ ATOM 136 OE2 GLU A 17 3.127 16.929 5.294 1.00 85.55 O
137
+ ATOM 137 C ILE A 18 1.535 9.501 3.024 1.00 94.39 C
138
+ ATOM 138 CA ILE A 18 2.396 9.136 4.230 1.00 94.35 C
139
+ ATOM 139 CB ILE A 18 1.683 8.074 5.097 1.00 93.42 C
140
+ ATOM 140 CD1 ILE A 18 3.847 7.154 6.117 1.00 79.68 C
141
+ ATOM 141 CG1 ILE A 18 2.489 7.795 6.371 1.00 85.58 C
142
+ ATOM 142 CG2 ILE A 18 1.459 6.786 4.298 1.00 85.28 C
143
+ ATOM 143 N ILE A 18 2.701 10.336 5.001 1.00 94.23 N
144
+ ATOM 144 O ILE A 18 0.594 10.291 3.142 1.00 93.90 O
145
+ ATOM 145 C PHE A 19 -0.129 8.301 0.732 1.00 93.50 C
146
+ ATOM 146 CA PHE A 19 1.081 9.227 0.721 1.00 93.70 C
147
+ ATOM 147 CB PHE A 19 1.897 9.010 -0.556 1.00 93.33 C
148
+ ATOM 148 CD1 PHE A 19 1.271 10.853 -2.151 1.00 91.12 C
149
+ ATOM 149 CD2 PHE A 19 0.524 8.633 -2.629 1.00 90.92 C
150
+ ATOM 150 CE1 PHE A 19 0.642 11.318 -3.303 1.00 90.17 C
151
+ ATOM 151 CE2 PHE A 19 -0.107 9.090 -3.782 1.00 90.43 C
152
+ ATOM 152 CG PHE A 19 1.217 9.509 -1.803 1.00 92.65 C
153
+ ATOM 153 CZ PHE A 19 -0.047 10.433 -4.117 1.00 89.72 C
154
+ ATOM 154 N PHE A 19 1.909 9.011 1.902 1.00 93.60 N
155
+ ATOM 155 O PHE A 19 0.020 7.077 0.747 1.00 92.84 O
156
+ ATOM 156 C ILE A 20 -3.487 8.404 -0.369 1.00 92.16 C
157
+ ATOM 157 CA ILE A 20 -2.588 8.168 0.843 1.00 92.65 C
158
+ ATOM 158 CB ILE A 20 -3.317 8.583 2.140 1.00 91.85 C
159
+ ATOM 159 CD1 ILE A 20 -2.121 6.804 3.545 1.00 84.25 C
160
+ ATOM 160 CG1 ILE A 20 -2.443 8.281 3.363 1.00 87.55 C
161
+ ATOM 161 CG2 ILE A 20 -4.672 7.877 2.247 1.00 86.77 C
162
+ ATOM 162 N ILE A 20 -1.336 8.897 0.678 1.00 92.81 N
163
+ ATOM 163 O ILE A 20 -3.551 9.518 -0.894 1.00 91.04 O
164
+ ATOM 164 C THR A 21 -6.472 7.043 -1.317 1.00 89.27 C
165
+ ATOM 165 CA THR A 21 -5.109 7.470 -1.854 1.00 89.88 C
166
+ ATOM 166 CB THR A 21 -4.741 6.605 -3.074 1.00 88.76 C
167
+ ATOM 167 CG2 THR A 21 -3.422 7.056 -3.690 1.00 82.31 C
168
+ ATOM 168 N THR A 21 -4.091 7.378 -0.814 1.00 90.41 N
169
+ ATOM 169 O THR A 21 -6.591 6.648 -0.155 1.00 87.49 O
170
+ ATOM 170 OG1 THR A 21 -4.621 5.237 -2.663 1.00 83.34 O
171
+ ATOM 171 C ARG A 22 -9.332 5.795 -2.638 1.00 86.98 C
172
+ ATOM 172 CA ARG A 22 -8.765 6.832 -1.673 1.00 87.23 C
173
+ ATOM 173 CB ARG A 22 -9.654 8.078 -1.659 1.00 85.84 C
174
+ ATOM 174 CD ARG A 22 -11.836 9.137 -0.984 1.00 80.93 C
175
+ ATOM 175 CG ARG A 22 -11.018 7.854 -1.027 1.00 82.32 C
176
+ ATOM 176 CZ ARG A 22 -11.334 10.180 1.202 1.00 73.76 C
177
+ ATOM 177 N ARG A 22 -7.393 7.183 -2.027 1.00 87.49 N
178
+ ATOM 178 NE ARG A 22 -11.218 10.141 -0.123 1.00 76.11 N
179
+ ATOM 179 NH1 ARG A 22 -12.052 9.267 1.846 1.00 68.49 N
180
+ ATOM 180 NH2 ARG A 22 -10.729 11.139 1.887 1.00 67.19 N
181
+ ATOM 181 O ARG A 22 -9.179 5.925 -3.855 1.00 85.55 O
182
+ ATOM 182 C ARG A 23 -11.691 4.239 -3.691 1.00 83.46 C
183
+ ATOM 183 CA ARG A 23 -10.530 3.703 -2.859 1.00 83.94 C
184
+ ATOM 184 CB ARG A 23 -11.006 2.541 -1.983 1.00 83.26 C
185
+ ATOM 185 CD ARG A 23 -10.405 0.631 -0.456 1.00 82.79 C
186
+ ATOM 186 CG ARG A 23 -9.879 1.782 -1.301 1.00 82.95 C
187
+ ATOM 187 CZ ARG A 23 -10.129 -1.462 -1.745 1.00 77.74 C
188
+ ATOM 188 N ARG A 23 -9.943 4.757 -2.038 1.00 84.23 N
189
+ ATOM 189 NE ARG A 23 -10.887 -0.470 -1.285 1.00 77.70 N
190
+ ATOM 190 NH1 ARG A 23 -8.832 -1.510 -1.463 1.00 75.94 N
191
+ ATOM 191 NH2 ARG A 23 -10.672 -2.413 -2.491 1.00 75.81 N
192
+ ATOM 192 O ARG A 23 -12.462 5.077 -3.221 1.00 81.55 O
193
+ ATOM 193 C ALA A 24 -14.179 3.781 -5.278 1.00 80.62 C
194
+ ATOM 194 CA ALA A 24 -12.798 4.145 -5.814 1.00 79.78 C
195
+ ATOM 195 CB ALA A 24 -12.580 3.513 -7.188 1.00 78.22 C
196
+ ATOM 196 N ALA A 24 -11.749 3.724 -4.889 1.00 79.80 N
197
+ ATOM 197 O ALA A 24 -14.312 2.891 -4.435 1.00 79.49 O
198
+ ATOM 198 C ALA A 25 -17.063 2.839 -5.582 1.00 78.98 C
199
+ ATOM 199 CA ALA A 25 -16.553 4.246 -5.285 1.00 79.20 C
200
+ ATOM 200 CB ALA A 25 -17.464 5.287 -5.931 1.00 75.80 C
201
+ ATOM 201 N ALA A 25 -15.178 4.415 -5.750 1.00 78.93 N
202
+ ATOM 202 O ALA A 25 -17.965 2.344 -4.901 1.00 76.75 O
203
+ ATOM 203 C ASP A 26 -16.220 -0.310 -6.363 1.00 78.17 C
204
+ ATOM 204 CA ASP A 26 -17.132 0.798 -6.885 1.00 80.03 C
205
+ ATOM 205 CB ASP A 26 -17.281 0.684 -8.403 1.00 75.13 C
206
+ ATOM 206 CG ASP A 26 -15.971 0.888 -9.145 1.00 68.62 C
207
+ ATOM 207 N ASP A 26 -16.619 2.115 -6.518 1.00 79.79 N
208
+ ATOM 208 O ASP A 26 -16.418 -1.485 -6.680 1.00 74.15 O
209
+ ATOM 209 OD1 ASP A 26 -14.985 1.345 -8.527 1.00 67.35 O
210
+ ATOM 210 OD2 ASP A 26 -15.927 0.592 -10.358 1.00 76.42 O
211
+ ATOM 211 C ALA A 27 -14.864 -1.447 -3.687 1.00 79.24 C
212
+ ATOM 212 CA ALA A 27 -14.376 -0.893 -5.023 1.00 77.64 C
213
+ ATOM 213 CB ALA A 27 -12.986 -0.281 -4.865 1.00 75.58 C
214
+ ATOM 214 N ALA A 27 -15.309 0.095 -5.556 1.00 77.78 N
215
+ ATOM 215 O ALA A 27 -15.772 -0.884 -3.070 1.00 77.47 O
216
+ ATOM 216 C HIS A 28 -14.066 -2.136 -0.913 1.00 82.25 C
217
+ ATOM 217 CA HIS A 28 -14.481 -3.178 -1.946 1.00 81.20 C
218
+ ATOM 218 CB HIS A 28 -13.691 -4.470 -1.734 1.00 77.98 C
219
+ ATOM 219 CD2 HIS A 28 -14.881 -5.963 0.022 1.00 70.07 C
220
+ ATOM 220 CE1 HIS A 28 -13.557 -5.558 1.723 1.00 68.60 C
221
+ ATOM 221 CG HIS A 28 -13.923 -5.104 -0.400 1.00 73.06 C
222
+ ATOM 222 N HIS A 28 -14.291 -2.679 -3.303 1.00 79.88 N
223
+ ATOM 223 ND1 HIS A 28 -13.109 -4.869 0.687 1.00 70.38 N
224
+ ATOM 224 NE2 HIS A 28 -14.632 -6.230 1.346 1.00 64.97 N
225
+ ATOM 225 O HIS A 28 -12.993 -1.537 -1.025 1.00 80.34 O
226
+ ATOM 226 C MET A 29 -14.623 0.562 0.512 1.00 82.64 C
227
+ ATOM 227 CA MET A 29 -14.827 -0.827 1.106 1.00 82.14 C
228
+ ATOM 228 CB MET A 29 -13.628 -1.205 1.979 1.00 78.00 C
229
+ ATOM 229 CE MET A 29 -13.206 -4.218 4.873 1.00 61.03 C
230
+ ATOM 230 CG MET A 29 -13.813 -2.504 2.744 1.00 71.58 C
231
+ ATOM 231 N MET A 29 -15.029 -1.819 0.054 1.00 80.51 N
232
+ ATOM 232 O MET A 29 -13.698 1.278 0.899 1.00 79.89 O
233
+ ATOM 233 SD MET A 29 -12.566 -2.719 4.074 1.00 70.96 S
234
+ ATOM 234 C ALA A 30 -15.201 3.409 -0.270 1.00 82.69 C
235
+ ATOM 235 CA ALA A 30 -15.432 2.181 -1.145 1.00 81.79 C
236
+ ATOM 236 CB ALA A 30 -16.722 2.337 -1.946 1.00 77.62 C
237
+ ATOM 237 N ALA A 30 -15.475 0.963 -0.340 1.00 80.30 N
238
+ ATOM 238 O ALA A 30 -15.743 3.503 0.834 1.00 80.25 O
239
+ ATOM 239 C ASN A 31 -13.249 5.548 1.121 1.00 83.85 C
240
+ ATOM 240 CA ASN A 31 -14.131 5.603 -0.124 1.00 83.14 C
241
+ ATOM 241 CB ASN A 31 -15.458 6.295 0.196 1.00 79.23 C
242
+ ATOM 242 CG ASN A 31 -16.269 6.604 -1.047 1.00 71.86 C
243
+ ATOM 243 N ASN A 31 -14.368 4.272 -0.673 1.00 82.39 N
244
+ ATOM 244 ND2 ASN A 31 -17.575 6.375 -0.975 1.00 65.25 N
245
+ ATOM 245 O ASN A 31 -12.925 6.584 1.703 1.00 82.01 O
246
+ ATOM 246 OD1 ASN A 31 -15.727 7.044 -2.065 1.00 67.44 O
247
+ ATOM 247 C LYS A 32 -10.536 4.730 2.031 1.00 89.47 C
248
+ ATOM 248 CA LYS A 32 -11.897 4.256 2.531 1.00 88.81 C
249
+ ATOM 249 CB LYS A 32 -11.793 2.823 3.055 1.00 87.38 C
250
+ ATOM 250 CD LYS A 32 -13.105 3.036 5.192 1.00 80.00 C
251
+ ATOM 251 CE LYS A 32 -14.269 2.496 6.012 1.00 74.25 C
252
+ ATOM 252 CG LYS A 32 -13.016 2.357 3.832 1.00 82.54 C
253
+ ATOM 253 N LYS A 32 -12.905 4.346 1.478 1.00 88.45 N
254
+ ATOM 254 NZ LYS A 32 -14.338 3.131 7.362 1.00 69.15 N
255
+ ATOM 255 O LYS A 32 -10.246 4.650 0.835 1.00 88.90 O
256
+ ATOM 256 C LEU A 33 -7.636 4.369 2.493 1.00 91.19 C
257
+ ATOM 257 CA LEU A 33 -8.437 5.658 2.647 1.00 91.17 C
258
+ ATOM 258 CB LEU A 33 -7.829 6.521 3.755 1.00 90.42 C
259
+ ATOM 259 CD1 LEU A 33 -7.784 8.619 5.127 1.00 85.20 C
260
+ ATOM 260 CD2 LEU A 33 -8.498 8.709 2.723 1.00 85.37 C
261
+ ATOM 261 CG LEU A 33 -8.494 7.876 4.000 1.00 88.26 C
262
+ ATOM 262 N LEU A 33 -9.837 5.368 2.935 1.00 90.84 N
263
+ ATOM 263 O LEU A 33 -7.986 3.342 3.082 1.00 90.54 O
264
+ ATOM 264 C GLU A 34 -4.353 3.611 1.164 1.00 91.54 C
265
+ ATOM 265 CA GLU A 34 -5.790 3.222 1.499 1.00 91.00 C
266
+ ATOM 266 CB GLU A 34 -6.370 2.341 0.391 1.00 89.56 C
267
+ ATOM 267 CD GLU A 34 -6.975 2.124 -2.067 1.00 80.94 C
268
+ ATOM 268 CG GLU A 34 -6.357 2.994 -0.984 1.00 83.92 C
269
+ ATOM 269 N GLU A 34 -6.622 4.405 1.703 1.00 90.80 N
270
+ ATOM 270 O GLU A 34 -4.105 4.699 0.639 1.00 91.07 O
271
+ ATOM 271 OE1 GLU A 34 -7.201 0.917 -1.821 1.00 78.07 O
272
+ ATOM 272 OE2 GLU A 34 -7.233 2.653 -3.171 1.00 75.57 O
273
+ ATOM 273 C PHE A 35 -2.099 2.221 -0.477 1.00 92.99 C
274
+ ATOM 274 CA PHE A 35 -2.112 2.761 0.948 1.00 93.19 C
275
+ ATOM 275 CB PHE A 35 -1.166 1.940 1.830 1.00 92.77 C
276
+ ATOM 276 CD1 PHE A 35 -0.467 3.551 3.631 1.00 90.91 C
277
+ ATOM 277 CD2 PHE A 35 -1.769 1.644 4.252 1.00 90.79 C
278
+ ATOM 278 CE1 PHE A 35 -0.434 3.969 4.959 1.00 90.11 C
279
+ ATOM 279 CE2 PHE A 35 -1.741 2.055 5.582 1.00 90.40 C
280
+ ATOM 280 CG PHE A 35 -1.133 2.388 3.267 1.00 92.24 C
281
+ ATOM 281 CZ PHE A 35 -1.072 3.217 5.934 1.00 90.22 C
282
+ ATOM 282 N PHE A 35 -3.464 2.747 1.495 1.00 92.96 N
283
+ ATOM 283 O PHE A 35 -2.806 1.262 -0.790 1.00 92.40 O
284
+ ATOM 284 C PRO A 36 -0.803 0.927 -2.820 1.00 93.08 C
285
+ ATOM 285 CA PRO A 36 -1.330 2.356 -2.717 1.00 92.95 C
286
+ ATOM 286 CB PRO A 36 -0.405 3.334 -3.447 1.00 92.31 C
287
+ ATOM 287 CD PRO A 36 -0.581 4.090 -1.141 1.00 88.84 C
288
+ ATOM 288 CG PRO A 36 -0.338 4.532 -2.556 1.00 90.53 C
289
+ ATOM 289 N PRO A 36 -1.336 2.859 -1.341 1.00 92.75 N
290
+ ATOM 290 O PRO A 36 0.134 0.557 -2.107 1.00 92.65 O
291
+ ATOM 291 C GLY A 37 -2.098 -1.953 -4.643 1.00 90.87 C
292
+ ATOM 292 CA GLY A 37 -1.040 -1.192 -3.867 1.00 91.48 C
293
+ ATOM 293 N GLY A 37 -1.395 0.198 -3.632 1.00 91.67 N
294
+ ATOM 294 O GLY A 37 -3.091 -1.372 -5.085 1.00 89.44 O
295
+ ATOM 295 C GLY A 38 -2.372 -5.587 -5.570 1.00 91.45 C
296
+ ATOM 296 CA GLY A 38 -2.746 -4.118 -5.626 1.00 91.20 C
297
+ ATOM 297 N GLY A 38 -1.839 -3.268 -4.870 1.00 91.32 N
298
+ ATOM 298 O GLY A 38 -1.454 -5.973 -4.843 1.00 90.72 O
299
+ ATOM 299 C LYS A 39 -1.666 -8.278 -6.802 1.00 92.09 C
300
+ ATOM 300 CA LYS A 39 -3.014 -7.820 -6.252 1.00 91.39 C
301
+ ATOM 301 CB LYS A 39 -4.150 -8.453 -7.056 1.00 89.71 C
302
+ ATOM 302 CD LYS A 39 -6.605 -8.983 -7.237 1.00 77.12 C
303
+ ATOM 303 CE LYS A 39 -7.996 -8.691 -6.692 1.00 68.27 C
304
+ ATOM 304 CG LYS A 39 -5.526 -8.271 -6.431 1.00 81.30 C
305
+ ATOM 305 N LYS A 39 -3.122 -6.365 -6.270 1.00 91.24 N
306
+ ATOM 306 NZ LYS A 39 -9.064 -9.290 -7.549 1.00 58.26 N
307
+ ATOM 307 O LYS A 39 -1.157 -7.705 -7.769 1.00 91.63 O
308
+ ATOM 308 C ILE A 40 -0.377 -10.896 -7.781 1.00 92.87 C
309
+ ATOM 309 CA ILE A 40 0.045 -9.940 -6.667 1.00 93.48 C
310
+ ATOM 310 CB ILE A 40 0.794 -10.709 -5.556 1.00 93.05 C
311
+ ATOM 311 CD1 ILE A 40 1.828 -10.433 -3.228 1.00 90.49 C
312
+ ATOM 312 CG1 ILE A 40 1.260 -9.743 -4.460 1.00 92.26 C
313
+ ATOM 313 CG2 ILE A 40 1.976 -11.487 -6.140 1.00 92.03 C
314
+ ATOM 314 N ILE A 40 -1.128 -9.250 -6.141 1.00 93.50 N
315
+ ATOM 315 O ILE A 40 -1.237 -11.757 -7.576 1.00 91.78 O
316
+ ATOM 316 C GLU A 41 0.571 -12.922 -10.017 1.00 91.15 C
317
+ ATOM 317 CA GLU A 41 -0.182 -11.595 -10.047 1.00 91.42 C
318
+ ATOM 318 CB GLU A 41 0.121 -10.848 -11.349 1.00 89.95 C
319
+ ATOM 319 CD GLU A 41 -0.409 -8.865 -12.845 1.00 80.95 C
320
+ ATOM 320 CG GLU A 41 -0.706 -9.585 -11.539 1.00 83.67 C
321
+ ATOM 321 N GLU A 41 0.156 -10.770 -8.892 1.00 91.64 N
322
+ ATOM 322 O GLU A 41 1.589 -13.048 -9.333 1.00 89.99 O
323
+ ATOM 323 OE1 GLU A 41 0.580 -9.223 -13.524 1.00 77.68 O
324
+ ATOM 324 OE2 GLU A 41 -1.171 -7.935 -13.192 1.00 76.82 O
325
+ ATOM 325 C MET A 42 2.118 -15.004 -11.380 1.00 90.01 C
326
+ ATOM 326 CA MET A 42 0.691 -15.148 -10.861 1.00 89.45 C
327
+ ATOM 327 CB MET A 42 -0.103 -16.087 -11.768 1.00 86.48 C
328
+ ATOM 328 CE MET A 42 -0.839 -17.931 -14.193 1.00 61.66 C
329
+ ATOM 329 CG MET A 42 0.336 -17.539 -11.683 1.00 75.75 C
330
+ ATOM 330 N MET A 42 0.037 -13.845 -10.768 1.00 89.37 N
331
+ ATOM 331 O MET A 42 2.356 -14.306 -12.368 1.00 88.77 O
332
+ ATOM 332 SD MET A 42 -0.823 -18.676 -12.538 1.00 69.84 S
333
+ ATOM 333 C GLY A 43 5.234 -14.406 -10.568 1.00 90.97 C
334
+ ATOM 334 CA GLY A 43 4.445 -15.596 -11.080 1.00 90.81 C
335
+ ATOM 335 N GLY A 43 3.065 -15.607 -10.619 1.00 90.59 N
336
+ ATOM 336 O GLY A 43 6.435 -14.294 -10.825 1.00 89.66 O
337
+ ATOM 337 C GLU A 44 5.556 -12.556 -7.895 1.00 92.42 C
338
+ ATOM 338 CA GLU A 44 5.245 -12.355 -9.376 1.00 92.64 C
339
+ ATOM 339 CB GLU A 44 4.414 -11.085 -9.570 1.00 91.17 C
340
+ ATOM 340 CD GLU A 44 3.639 -9.266 -11.165 1.00 83.44 C
341
+ ATOM 341 CG GLU A 44 4.416 -10.561 -11.000 1.00 85.98 C
342
+ ATOM 342 N GLU A 44 4.550 -13.513 -9.931 1.00 92.97 N
343
+ ATOM 343 O GLU A 44 4.795 -13.211 -7.179 1.00 91.22 O
344
+ ATOM 344 OE1 GLU A 44 2.611 -9.081 -10.473 1.00 80.98 O
345
+ ATOM 345 OE2 GLU A 44 4.061 -8.428 -11.994 1.00 81.23 O
346
+ ATOM 346 C THR A 45 6.257 -10.782 -5.492 1.00 94.85 C
347
+ ATOM 347 CA THR A 45 6.965 -12.000 -6.079 1.00 94.64 C
348
+ ATOM 348 CB THR A 45 8.475 -11.908 -5.790 1.00 93.77 C
349
+ ATOM 349 CG2 THR A 45 9.234 -13.046 -6.464 1.00 89.12 C
350
+ ATOM 350 N THR A 45 6.706 -12.107 -7.511 1.00 94.42 N
351
+ ATOM 351 O THR A 45 5.912 -9.848 -6.218 1.00 94.50 O
352
+ ATOM 352 OG1 THR A 45 8.975 -10.658 -6.280 1.00 89.31 O
353
+ ATOM 353 C PRO A 46 6.292 -8.294 -3.860 1.00 94.63 C
354
+ ATOM 354 CA PRO A 46 5.486 -9.566 -3.612 1.00 94.45 C
355
+ ATOM 355 CB PRO A 46 5.479 -9.926 -2.124 1.00 93.70 C
356
+ ATOM 356 CD PRO A 46 6.202 -11.969 -3.228 1.00 90.74 C
357
+ ATOM 357 CG PRO A 46 5.389 -11.417 -2.091 1.00 91.93 C
358
+ ATOM 358 N PRO A 46 6.083 -10.747 -4.240 1.00 93.91 N
359
+ ATOM 359 O PRO A 46 5.715 -7.217 -4.030 1.00 94.39 O
360
+ ATOM 360 C GLU A 47 8.213 -6.717 -5.593 1.00 95.31 C
361
+ ATOM 361 CA GLU A 47 8.441 -7.253 -4.183 1.00 95.21 C
362
+ ATOM 362 CB GLU A 47 9.913 -7.629 -3.995 1.00 93.74 C
363
+ ATOM 363 CD GLU A 47 10.057 -9.349 -2.131 1.00 76.65 C
364
+ ATOM 364 CG GLU A 47 10.296 -7.907 -2.548 1.00 82.24 C
365
+ ATOM 365 N GLU A 47 7.580 -8.399 -3.907 1.00 95.24 N
366
+ ATOM 366 O GLU A 47 8.131 -5.504 -5.797 1.00 94.87 O
367
+ ATOM 367 OE1 GLU A 47 9.523 -10.135 -2.945 1.00 72.79 O
368
+ ATOM 368 OE2 GLU A 47 10.408 -9.695 -0.981 1.00 70.36 O
369
+ ATOM 369 C GLN A 48 6.553 -6.573 -7.991 1.00 95.63 C
370
+ ATOM 370 CA GLN A 48 7.927 -7.224 -7.861 1.00 95.61 C
371
+ ATOM 371 CB GLN A 48 8.037 -8.414 -8.814 1.00 95.08 C
372
+ ATOM 372 CD GLN A 48 9.524 -10.240 -9.748 1.00 90.72 C
373
+ ATOM 373 CG GLN A 48 9.462 -8.911 -9.017 1.00 92.86 C
374
+ ATOM 374 N GLN A 48 8.184 -7.642 -6.487 1.00 95.58 N
375
+ ATOM 375 NE2 GLN A 48 10.614 -10.469 -10.472 1.00 89.44 N
376
+ ATOM 376 O GLN A 48 6.391 -5.594 -8.722 1.00 95.32 O
377
+ ATOM 377 OE1 GLN A 48 8.598 -11.053 -9.662 1.00 89.26 O
378
+ ATOM 378 C ALA A 49 4.128 -5.250 -6.843 1.00 95.49 C
379
+ ATOM 379 CA ALA A 49 4.231 -6.673 -7.385 1.00 95.46 C
380
+ ATOM 380 CB ALA A 49 3.299 -7.602 -6.613 1.00 94.97 C
381
+ ATOM 381 N ALA A 49 5.605 -7.162 -7.321 1.00 95.37 N
382
+ ATOM 382 O ALA A 49 3.437 -4.407 -7.418 1.00 95.17 O
383
+ ATOM 383 C VAL A 50 5.282 -2.542 -6.068 1.00 95.28 C
384
+ ATOM 384 CA VAL A 50 4.635 -3.574 -5.146 1.00 95.41 C
385
+ ATOM 385 CB VAL A 50 5.262 -3.497 -3.737 1.00 94.97 C
386
+ ATOM 386 CG1 VAL A 50 6.784 -3.605 -3.816 1.00 93.07 C
387
+ ATOM 387 CG2 VAL A 50 4.851 -2.201 -3.040 1.00 92.86 C
388
+ ATOM 388 N VAL A 50 4.774 -4.907 -5.723 1.00 95.31 N
389
+ ATOM 389 O VAL A 50 4.755 -1.441 -6.244 1.00 94.81 O
390
+ ATOM 390 C VAL A 51 6.090 -1.689 -8.773 1.00 95.04 C
391
+ ATOM 391 CA VAL A 51 7.033 -1.973 -7.607 1.00 95.27 C
392
+ ATOM 392 CB VAL A 51 8.375 -2.532 -8.129 1.00 94.73 C
393
+ ATOM 393 CG1 VAL A 51 8.911 -1.668 -9.271 1.00 92.78 C
394
+ ATOM 394 CG2 VAL A 51 9.395 -2.618 -6.996 1.00 92.46 C
395
+ ATOM 395 N VAL A 51 6.398 -2.894 -6.670 1.00 95.32 N
396
+ ATOM 396 O VAL A 51 5.857 -0.529 -9.124 1.00 94.45 O
397
+ ATOM 397 C ARG A 52 3.351 -1.756 -10.085 1.00 93.37 C
398
+ ATOM 398 CA ARG A 52 4.574 -2.576 -10.480 1.00 93.76 C
399
+ ATOM 399 CB ARG A 52 4.140 -3.943 -11.015 1.00 93.42 C
400
+ ATOM 400 CD ARG A 52 2.693 -5.250 -12.608 1.00 92.23 C
401
+ ATOM 401 CG ARG A 52 3.142 -3.867 -12.160 1.00 93.02 C
402
+ ATOM 402 CZ ARG A 52 0.978 -5.786 -10.910 1.00 90.44 C
403
+ ATOM 403 N ARG A 52 5.487 -2.733 -9.352 1.00 93.81 N
404
+ ATOM 404 NE ARG A 52 2.146 -6.025 -11.498 1.00 91.82 N
405
+ ATOM 405 NH1 ARG A 52 0.207 -4.783 -11.315 1.00 87.85 N
406
+ ATOM 406 NH2 ARG A 52 0.576 -6.554 -9.907 1.00 87.50 N
407
+ ATOM 407 O ARG A 52 2.956 -0.836 -10.804 1.00 92.58 O
408
+ ATOM 408 C GLU A 53 1.840 0.071 -8.165 1.00 92.23 C
409
+ ATOM 409 CA GLU A 53 1.576 -1.411 -8.421 1.00 92.36 C
410
+ ATOM 410 CB GLU A 53 1.022 -2.072 -7.156 1.00 91.62 C
411
+ ATOM 411 CD GLU A 53 -0.904 -3.407 -8.136 1.00 85.88 C
412
+ ATOM 412 CG GLU A 53 0.424 -3.450 -7.395 1.00 89.00 C
413
+ ATOM 413 N GLU A 53 2.786 -2.093 -8.869 1.00 92.35 N
414
+ ATOM 414 O GLU A 53 0.998 0.919 -8.470 1.00 91.44 O
415
+ ATOM 415 OE1 GLU A 53 -1.454 -2.300 -8.331 1.00 84.51 O
416
+ ATOM 416 OE2 GLU A 53 -1.397 -4.489 -8.523 1.00 83.04 O
417
+ ATOM 417 C LEU A 54 3.522 2.584 -8.596 1.00 93.02 C
418
+ ATOM 418 CA LEU A 54 3.250 1.812 -7.309 1.00 93.53 C
419
+ ATOM 419 CB LEU A 54 4.446 1.939 -6.361 1.00 93.26 C
420
+ ATOM 420 CD1 LEU A 54 5.485 1.677 -4.095 1.00 91.76 C
421
+ ATOM 421 CD2 LEU A 54 3.016 2.073 -4.302 1.00 91.46 C
422
+ ATOM 422 CG LEU A 54 4.240 1.421 -4.937 1.00 92.89 C
423
+ ATOM 423 N LEU A 54 2.971 0.408 -7.594 1.00 93.50 N
424
+ ATOM 424 O LEU A 54 3.133 3.747 -8.720 1.00 92.10 O
425
+ ATOM 425 C GLN A 55 2.957 2.873 -11.557 1.00 91.64 C
426
+ ATOM 426 CA GLN A 55 4.308 2.616 -10.896 1.00 92.14 C
427
+ ATOM 427 CB GLN A 55 5.184 1.756 -11.807 1.00 91.34 C
428
+ ATOM 428 CD GLN A 55 7.473 0.758 -12.224 1.00 86.22 C
429
+ ATOM 429 CG GLN A 55 6.657 1.755 -11.423 1.00 88.55 C
430
+ ATOM 430 N GLN A 55 4.142 1.978 -9.593 1.00 92.42 N
431
+ ATOM 431 NE2 GLN A 55 8.791 0.925 -12.214 1.00 82.77 N
432
+ ATOM 432 O GLN A 55 2.728 3.949 -12.114 1.00 90.53 O
433
+ ATOM 433 OE1 GLN A 55 6.923 -0.157 -12.845 1.00 83.71 O
434
+ ATOM 434 C GLU A 56 -0.178 2.995 -11.399 1.00 89.06 C
435
+ ATOM 435 CA GLU A 56 0.763 2.039 -12.128 1.00 89.54 C
436
+ ATOM 436 CB GLU A 56 0.126 0.651 -12.231 1.00 88.53 C
437
+ ATOM 437 CD GLU A 56 0.271 -1.694 -13.196 1.00 82.59 C
438
+ ATOM 438 CG GLU A 56 0.850 -0.289 -13.183 1.00 85.26 C
439
+ ATOM 439 N GLU A 56 2.059 1.961 -11.460 1.00 89.98 N
440
+ ATOM 440 O GLU A 56 -0.883 3.783 -12.032 1.00 87.75 O
441
+ ATOM 441 OE1 GLU A 56 -0.660 -1.974 -12.407 1.00 79.48 O
442
+ ATOM 442 OE2 GLU A 56 0.751 -2.523 -14.001 1.00 77.07 O
443
+ ATOM 443 C GLU A 57 -0.745 5.037 -8.930 1.00 88.39 C
444
+ ATOM 444 CA GLU A 57 -1.161 3.614 -9.292 1.00 88.38 C
445
+ ATOM 445 CB GLU A 57 -1.516 2.832 -8.024 1.00 87.05 C
446
+ ATOM 446 CD GLU A 57 -2.981 1.000 -7.050 1.00 78.72 C
447
+ ATOM 447 CG GLU A 57 -2.291 1.551 -8.289 1.00 82.09 C
448
+ ATOM 448 N GLU A 57 -0.109 2.930 -10.037 1.00 88.62 N
449
+ ATOM 449 O GLU A 57 -1.576 5.947 -8.913 1.00 87.23 O
450
+ ATOM 450 OE1 GLU A 57 -2.708 1.494 -5.933 1.00 75.96 O
451
+ ATOM 451 OE2 GLU A 57 -3.802 0.067 -7.200 1.00 72.31 O
452
+ ATOM 452 C VAL A 58 2.124 7.103 -8.909 1.00 90.68 C
453
+ ATOM 453 CA VAL A 58 0.914 6.567 -8.146 1.00 91.00 C
454
+ ATOM 454 CB VAL A 58 1.201 6.561 -6.628 1.00 89.93 C
455
+ ATOM 455 CG1 VAL A 58 -0.042 6.146 -5.844 1.00 84.14 C
456
+ ATOM 456 CG2 VAL A 58 2.371 5.632 -6.311 1.00 83.45 C
457
+ ATOM 457 N VAL A 58 0.573 5.234 -8.633 1.00 91.19 N
458
+ ATOM 458 O VAL A 58 2.589 8.214 -8.647 1.00 89.07 O
459
+ ATOM 459 C GLY A 59 4.964 7.024 -10.198 1.00 91.34 C
460
+ ATOM 460 CA GLY A 59 3.556 6.890 -10.743 1.00 90.94 C
461
+ ATOM 461 N GLY A 59 2.614 6.359 -9.770 1.00 90.88 N
462
+ ATOM 462 O GLY A 59 5.748 7.845 -10.682 1.00 90.50 O
463
+ ATOM 463 C ILE A 60 7.354 4.952 -8.871 1.00 93.33 C
464
+ ATOM 464 CA ILE A 60 6.673 6.307 -8.698 1.00 93.23 C
465
+ ATOM 465 CB ILE A 60 6.674 6.721 -7.209 1.00 92.79 C
466
+ ATOM 466 CD1 ILE A 60 6.249 5.759 -4.873 1.00 89.63 C
467
+ ATOM 467 CG1 ILE A 60 5.945 5.672 -6.361 1.00 91.69 C
468
+ ATOM 468 CG2 ILE A 60 6.040 8.104 -7.032 1.00 91.49 C
469
+ ATOM 469 N ILE A 60 5.317 6.249 -9.234 1.00 92.99 N
470
+ ATOM 470 O ILE A 60 6.685 3.934 -9.063 1.00 92.87 O
471
+ ATOM 471 C THR A 61 10.274 3.689 -7.440 1.00 93.98 C
472
+ ATOM 472 CA THR A 61 9.511 3.751 -8.761 1.00 93.79 C
473
+ ATOM 473 CB THR A 61 10.508 3.720 -9.934 1.00 92.85 C
474
+ ATOM 474 CG2 THR A 61 11.321 2.430 -9.932 1.00 87.34 C
475
+ ATOM 475 N THR A 61 8.667 4.940 -8.815 1.00 93.68 N
476
+ ATOM 476 O THR A 61 11.129 4.535 -7.170 1.00 93.54 O
477
+ ATOM 477 OG1 THR A 61 9.787 3.816 -11.168 1.00 87.66 O
478
+ ATOM 478 C PRO A 62 12.128 2.256 -5.563 1.00 93.84 C
479
+ ATOM 479 CA PRO A 62 10.653 2.605 -5.380 1.00 94.33 C
480
+ ATOM 480 CB PRO A 62 9.912 1.481 -4.653 1.00 93.69 C
481
+ ATOM 481 CD PRO A 62 8.844 1.822 -6.810 1.00 90.85 C
482
+ ATOM 482 CG PRO A 62 8.638 1.307 -5.416 1.00 91.97 C
483
+ ATOM 483 N PRO A 62 9.936 2.714 -6.652 1.00 94.25 N
484
+ ATOM 484 O PRO A 62 12.471 1.427 -6.410 1.00 92.91 O
485
+ ATOM 485 C GLN A 63 14.922 2.025 -3.589 1.00 93.07 C
486
+ ATOM 486 CA GLN A 63 14.422 2.683 -4.871 1.00 93.95 C
487
+ ATOM 487 CB GLN A 63 15.170 3.994 -5.115 1.00 92.71 C
488
+ ATOM 488 CD GLN A 63 15.441 3.844 -7.627 1.00 81.80 C
489
+ ATOM 489 CG GLN A 63 14.869 4.632 -6.465 1.00 86.51 C
490
+ ATOM 490 N GLN A 63 12.982 2.916 -4.815 1.00 94.47 N
491
+ ATOM 491 NE2 GLN A 63 14.663 3.716 -8.697 1.00 76.39 N
492
+ ATOM 492 O GLN A 63 15.806 1.166 -3.629 1.00 91.13 O
493
+ ATOM 493 OE1 GLN A 63 16.573 3.354 -7.564 1.00 79.12 O
494
+ ATOM 494 C HIS A 64 13.506 1.573 -0.499 1.00 92.93 C
495
+ ATOM 495 CA HIS A 64 14.790 1.884 -1.260 1.00 92.73 C
496
+ ATOM 496 CB HIS A 64 15.676 2.819 -0.434 1.00 90.53 C
497
+ ATOM 497 CD2 HIS A 64 16.406 0.934 1.190 1.00 72.47 C
498
+ ATOM 498 CE1 HIS A 64 16.801 2.175 2.954 1.00 69.30 C
499
+ ATOM 499 CG HIS A 64 16.148 2.218 0.851 1.00 80.37 C
500
+ ATOM 500 N HIS A 64 14.502 2.474 -2.562 1.00 92.62 N
501
+ ATOM 501 ND1 HIS A 64 16.404 2.973 1.977 1.00 69.12 N
502
+ ATOM 502 NE2 HIS A 64 16.811 0.933 2.503 1.00 67.54 N
503
+ ATOM 503 O HIS A 64 12.796 2.485 -0.071 1.00 92.02 O
504
+ ATOM 504 C PHE A 65 12.263 -1.438 1.057 1.00 93.48 C
505
+ ATOM 505 CA PHE A 65 12.046 -0.094 0.371 1.00 94.61 C
506
+ ATOM 506 CB PHE A 65 10.856 -0.181 -0.589 1.00 93.91 C
507
+ ATOM 507 CD1 PHE A 65 11.868 -0.864 -2.788 1.00 91.40 C
508
+ ATOM 508 CD2 PHE A 65 10.413 -2.403 -1.678 1.00 91.37 C
509
+ ATOM 509 CE1 PHE A 65 12.050 -1.776 -3.825 1.00 90.88 C
510
+ ATOM 510 CE2 PHE A 65 10.590 -3.320 -2.710 1.00 90.02 C
511
+ ATOM 511 CG PHE A 65 11.050 -1.169 -1.708 1.00 93.49 C
512
+ ATOM 512 CZ PHE A 65 11.407 -3.004 -3.784 1.00 90.01 C
513
+ ATOM 513 N PHE A 65 13.248 0.326 -0.337 1.00 94.42 N
514
+ ATOM 514 O PHE A 65 13.117 -2.222 0.640 1.00 90.96 O
515
+ ATOM 515 C SER A 66 10.448 -3.402 3.450 1.00 94.47 C
516
+ ATOM 516 CA SER A 66 11.796 -2.870 2.975 1.00 94.40 C
517
+ ATOM 517 CB SER A 66 12.690 -2.576 4.180 1.00 93.16 C
518
+ ATOM 518 N SER A 66 11.633 -1.673 2.155 1.00 94.40 N
519
+ ATOM 519 O SER A 66 9.480 -2.647 3.560 1.00 93.95 O
520
+ ATOM 520 OG SER A 66 12.130 -1.553 4.985 1.00 78.39 O
521
+ ATOM 521 C LEU A 67 8.909 -4.734 5.584 1.00 94.40 C
522
+ ATOM 522 CA LEU A 67 9.194 -5.286 4.192 1.00 94.78 C
523
+ ATOM 523 CB LEU A 67 9.316 -6.811 4.250 1.00 94.02 C
524
+ ATOM 524 CD1 LEU A 67 6.925 -7.385 3.758 1.00 86.19 C
525
+ ATOM 525 CD2 LEU A 67 8.401 -9.052 4.917 1.00 86.12 C
526
+ ATOM 526 CG LEU A 67 8.082 -7.572 4.736 1.00 91.27 C
527
+ ATOM 527 N LEU A 67 10.409 -4.698 3.638 1.00 94.66 N
528
+ ATOM 528 O LEU A 67 9.753 -4.830 6.480 1.00 93.56 O
529
+ ATOM 529 C PHE A 68 6.522 -4.587 7.808 1.00 93.93 C
530
+ ATOM 530 CA PHE A 68 7.383 -3.610 7.017 1.00 94.35 C
531
+ ATOM 531 CB PHE A 68 6.613 -2.309 6.774 1.00 93.91 C
532
+ ATOM 532 CD1 PHE A 68 7.033 -1.035 8.903 1.00 89.54 C
533
+ ATOM 533 CD2 PHE A 68 4.782 -1.623 8.354 1.00 89.24 C
534
+ ATOM 534 CE1 PHE A 68 6.592 -0.418 10.071 1.00 89.19 C
535
+ ATOM 535 CE2 PHE A 68 4.333 -1.009 9.519 1.00 89.53 C
536
+ ATOM 536 CG PHE A 68 6.133 -1.643 8.035 1.00 92.48 C
537
+ ATOM 537 CZ PHE A 68 5.239 -0.407 10.377 1.00 88.47 C
538
+ ATOM 538 N PHE A 68 7.807 -4.199 5.752 1.00 94.32 N
539
+ ATOM 539 O PHE A 68 6.700 -4.742 9.018 1.00 93.02 O
540
+ ATOM 540 C GLU A 69 4.037 -7.067 6.747 1.00 93.65 C
541
+ ATOM 541 CA GLU A 69 4.698 -6.126 7.750 1.00 93.63 C
542
+ ATOM 542 CB GLU A 69 3.632 -5.363 8.539 1.00 92.22 C
543
+ ATOM 543 CD GLU A 69 3.587 -6.928 10.538 1.00 77.39 C
544
+ ATOM 544 CG GLU A 69 2.784 -6.248 9.441 1.00 82.61 C
545
+ ATOM 545 N GLU A 69 5.606 -5.197 7.084 1.00 93.74 N
546
+ ATOM 546 O GLU A 69 3.749 -6.673 5.615 1.00 92.91 O
547
+ ATOM 547 OE1 GLU A 69 3.693 -6.365 11.651 1.00 74.40 O
548
+ ATOM 548 OE2 GLU A 69 4.113 -8.035 10.283 1.00 72.94 O
549
+ ATOM 549 C LYS A 70 1.827 -9.628 7.389 1.00 93.00 C
550
+ ATOM 550 CA LYS A 70 2.993 -9.233 6.488 1.00 93.74 C
551
+ ATOM 551 CB LYS A 70 3.779 -10.477 6.072 1.00 92.53 C
552
+ ATOM 552 CD LYS A 70 3.710 -12.807 5.121 1.00 86.04 C
553
+ ATOM 553 CE LYS A 70 2.849 -13.860 4.437 1.00 81.40 C
554
+ ATOM 554 CG LYS A 70 2.961 -11.491 5.285 1.00 87.91 C
555
+ ATOM 555 N LYS A 70 3.869 -8.271 7.151 1.00 93.82 N
556
+ ATOM 556 NZ LYS A 70 3.487 -15.210 4.477 1.00 74.57 N
557
+ ATOM 557 O LYS A 70 2.034 -10.094 8.512 1.00 91.57 O
558
+ ATOM 558 C LEU A 71 -1.513 -10.481 6.942 1.00 91.82 C
559
+ ATOM 559 CA LEU A 71 -0.471 -9.668 7.703 1.00 91.93 C
560
+ ATOM 560 CB LEU A 71 -1.085 -8.349 8.182 1.00 89.49 C
561
+ ATOM 561 CD1 LEU A 71 -0.543 -6.009 8.898 1.00 66.14 C
562
+ ATOM 562 CD2 LEU A 71 -0.389 -7.892 10.549 1.00 66.16 C
563
+ ATOM 563 CG LEU A 71 -0.211 -7.484 9.091 1.00 76.37 C
564
+ ATOM 564 N LEU A 71 0.699 -9.414 6.871 1.00 92.33 N
565
+ ATOM 565 O LEU A 71 -1.605 -10.388 5.716 1.00 90.46 O
566
+ ATOM 566 C GLU A 72 -4.657 -11.499 7.772 1.00 91.36 C
567
+ ATOM 567 CA GLU A 72 -3.367 -11.986 7.118 1.00 91.82 C
568
+ ATOM 568 CB GLU A 72 -3.208 -13.494 7.328 1.00 90.16 C
569
+ ATOM 569 CD GLU A 72 -1.954 -15.611 6.696 1.00 79.94 C
570
+ ATOM 570 CG GLU A 72 -2.025 -14.097 6.583 1.00 82.86 C
571
+ ATOM 571 N GLU A 72 -2.207 -11.269 7.642 1.00 91.94 N
572
+ ATOM 572 O GLU A 72 -4.692 -11.249 8.979 1.00 90.01 O
573
+ ATOM 573 OE1 GLU A 72 -2.797 -16.207 7.404 1.00 75.83 O
574
+ ATOM 574 OE2 GLU A 72 -1.047 -16.206 6.072 1.00 74.41 O
575
+ ATOM 575 C TYR A 73 -7.995 -11.689 6.746 1.00 89.72 C
576
+ ATOM 576 CA TYR A 73 -6.850 -10.938 7.416 1.00 90.30 C
577
+ ATOM 577 CB TYR A 73 -6.995 -9.433 7.165 1.00 89.63 C
578
+ ATOM 578 CD1 TYR A 73 -8.005 -8.283 9.175 1.00 84.84 C
579
+ ATOM 579 CD2 TYR A 73 -9.415 -8.734 7.300 1.00 84.70 C
580
+ ATOM 580 CE1 TYR A 73 -9.075 -7.706 9.850 1.00 84.90 C
581
+ ATOM 581 CE2 TYR A 73 -10.492 -8.159 7.966 1.00 85.19 C
582
+ ATOM 582 CG TYR A 73 -8.159 -8.806 7.893 1.00 87.98 C
583
+ ATOM 583 CZ TYR A 73 -10.313 -7.647 9.237 1.00 83.13 C
584
+ ATOM 584 N TYR A 73 -5.559 -11.416 6.933 1.00 90.42 N
585
+ ATOM 585 O TYR A 73 -7.943 -11.972 5.547 1.00 88.28 O
586
+ ATOM 586 OH TYR A 73 -11.376 -7.077 9.901 1.00 80.93 O
587
+ ATOM 587 C GLU A 74 -11.332 -11.808 7.052 1.00 88.82 C
588
+ ATOM 588 CA GLU A 74 -10.100 -12.706 7.104 1.00 89.01 C
589
+ ATOM 589 CB GLU A 74 -10.379 -13.933 7.976 1.00 86.87 C
590
+ ATOM 590 CD GLU A 74 -11.450 -16.234 8.090 1.00 75.18 C
591
+ ATOM 591 CG GLU A 74 -11.401 -14.891 7.379 1.00 78.65 C
592
+ ATOM 592 N GLU A 74 -8.936 -11.978 7.602 1.00 89.44 N
593
+ ATOM 593 O GLU A 74 -11.788 -11.311 8.084 1.00 87.12 O
594
+ ATOM 594 OE1 GLU A 74 -10.376 -16.805 8.385 1.00 69.86 O
595
+ ATOM 595 OE2 GLU A 74 -12.573 -16.721 8.352 1.00 68.34 O
596
+ ATOM 596 C PHE A 75 -14.187 -12.062 5.484 1.00 85.18 C
597
+ ATOM 597 CA PHE A 75 -13.148 -10.963 5.672 1.00 85.44 C
598
+ ATOM 598 CB PHE A 75 -13.149 -10.027 4.459 1.00 84.63 C
599
+ ATOM 599 CD1 PHE A 75 -12.888 -7.676 5.315 1.00 80.80 C
600
+ ATOM 600 CD2 PHE A 75 -11.036 -8.690 4.192 1.00 80.91 C
601
+ ATOM 601 CE1 PHE A 75 -12.144 -6.513 5.501 1.00 80.54 C
602
+ ATOM 602 CE2 PHE A 75 -10.287 -7.532 4.375 1.00 80.50 C
603
+ ATOM 603 CG PHE A 75 -12.342 -8.773 4.660 1.00 83.31 C
604
+ ATOM 604 CZ PHE A 75 -10.843 -6.445 5.030 1.00 77.69 C
605
+ ATOM 605 N PHE A 75 -11.822 -11.533 5.879 1.00 85.62 N
606
+ ATOM 606 O PHE A 75 -13.836 -13.225 5.268 1.00 83.74 O
607
+ ATOM 607 C PRO A 76 -16.357 -13.492 4.097 1.00 84.11 C
608
+ ATOM 608 CA PRO A 76 -16.467 -12.761 5.434 1.00 84.27 C
609
+ ATOM 609 CB PRO A 76 -17.787 -11.995 5.531 1.00 82.90 C
610
+ ATOM 610 CD PRO A 76 -16.075 -10.392 6.172 1.00 79.04 C
611
+ ATOM 611 CG PRO A 76 -17.490 -10.831 6.419 1.00 80.42 C
612
+ ATOM 612 N PRO A 76 -15.455 -11.714 5.591 1.00 84.50 N
613
+ ATOM 613 O PRO A 76 -16.590 -14.701 4.028 1.00 82.50 O
614
+ ATOM 614 C ASP A 77 -14.632 -13.755 1.139 1.00 83.88 C
615
+ ATOM 615 CA ASP A 77 -16.031 -13.454 1.672 1.00 83.81 C
616
+ ATOM 616 CB ASP A 77 -16.775 -12.529 0.705 1.00 81.91 C
617
+ ATOM 617 CG ASP A 77 -16.132 -11.159 0.584 1.00 77.24 C
618
+ ATOM 618 N ASP A 77 -15.970 -12.860 3.003 1.00 84.06 N
619
+ ATOM 619 O ASP A 77 -14.484 -14.344 0.066 1.00 82.44 O
620
+ ATOM 620 OD1 ASP A 77 -15.406 -10.741 1.512 1.00 74.45 O
621
+ ATOM 621 OD2 ASP A 77 -16.355 -10.490 -0.448 1.00 75.05 O
622
+ ATOM 622 C ARG A 78 -11.121 -13.569 2.443 1.00 87.40 C
623
+ ATOM 623 CA ARG A 78 -12.174 -13.558 1.340 1.00 86.94 C
624
+ ATOM 624 CB ARG A 78 -11.859 -12.456 0.326 1.00 84.77 C
625
+ ATOM 625 CD ARG A 78 -11.757 -9.977 -0.106 1.00 76.92 C
626
+ ATOM 626 CG ARG A 78 -11.696 -11.077 0.945 1.00 78.64 C
627
+ ATOM 627 CZ ARG A 78 -13.467 -8.888 -1.523 1.00 68.78 C
628
+ ATOM 628 N ARG A 78 -13.512 -13.377 1.895 1.00 86.94 N
629
+ ATOM 629 NE ARG A 78 -13.125 -9.736 -0.556 1.00 69.95 N
630
+ ATOM 630 NH1 ARG A 78 -12.542 -8.181 -2.162 1.00 58.07 N
631
+ ATOM 631 NH2 ARG A 78 -14.742 -8.747 -1.853 1.00 55.38 N
632
+ ATOM 632 O ARG A 78 -11.291 -12.918 3.476 1.00 86.13 O
633
+ ATOM 633 C HIS A 79 -7.824 -13.535 2.208 1.00 90.17 C
634
+ ATOM 634 CA HIS A 79 -8.913 -14.296 2.958 1.00 90.11 C
635
+ ATOM 635 CB HIS A 79 -8.447 -15.723 3.254 1.00 88.43 C
636
+ ATOM 636 CD2 HIS A 79 -5.883 -16.019 3.508 1.00 75.84 C
637
+ ATOM 637 CE1 HIS A 79 -5.750 -15.728 5.678 1.00 75.85 C
638
+ ATOM 638 CG HIS A 79 -7.135 -15.790 3.969 1.00 82.16 C
639
+ ATOM 639 N HIS A 79 -10.160 -14.312 2.202 1.00 89.91 N
640
+ ATOM 640 ND1 HIS A 79 -7.020 -15.612 5.331 1.00 74.81 N
641
+ ATOM 641 NE2 HIS A 79 -5.039 -15.975 4.591 1.00 73.88 N
642
+ ATOM 642 O HIS A 79 -7.529 -13.843 1.051 1.00 89.15 O
643
+ ATOM 643 C ILE A 80 -4.956 -11.809 2.925 1.00 90.95 C
644
+ ATOM 644 CA ILE A 80 -6.281 -11.788 2.167 1.00 90.30 C
645
+ ATOM 645 CB ILE A 80 -6.762 -10.333 1.968 1.00 88.37 C
646
+ ATOM 646 CD1 ILE A 80 -7.276 -8.158 3.222 1.00 71.20 C
647
+ ATOM 647 CG1 ILE A 80 -6.942 -9.641 3.324 1.00 73.56 C
648
+ ATOM 648 CG2 ILE A 80 -8.061 -10.300 1.159 1.00 74.75 C
649
+ ATOM 649 N ILE A 80 -7.272 -12.584 2.884 1.00 90.15 N
650
+ ATOM 650 O ILE A 80 -4.939 -11.851 4.159 1.00 90.26 O
651
+ ATOM 651 C THR A 81 -2.013 -10.376 2.231 1.00 93.09 C
652
+ ATOM 652 CA THR A 81 -2.566 -11.690 2.775 1.00 92.79 C
653
+ ATOM 653 CB THR A 81 -1.629 -12.846 2.381 1.00 91.87 C
654
+ ATOM 654 CG2 THR A 81 -0.257 -12.688 3.029 1.00 88.00 C
655
+ ATOM 655 N THR A 81 -3.923 -11.919 2.290 1.00 92.67 N
656
+ ATOM 656 O THR A 81 -1.952 -10.176 1.017 1.00 92.66 O
657
+ ATOM 657 OG1 THR A 81 -2.205 -14.087 2.805 1.00 88.08 O
658
+ ATOM 658 C LEU A 82 0.314 -8.133 3.032 1.00 93.69 C
659
+ ATOM 659 CA LEU A 82 -1.180 -8.220 2.739 1.00 93.52 C
660
+ ATOM 660 CB LEU A 82 -1.925 -7.115 3.493 1.00 92.52 C
661
+ ATOM 661 CD1 LEU A 82 -4.100 -6.208 4.348 1.00 80.97 C
662
+ ATOM 662 CD2 LEU A 82 -3.715 -6.418 1.877 1.00 80.29 C
663
+ ATOM 663 CG LEU A 82 -3.431 -7.024 3.248 1.00 88.15 C
664
+ ATOM 664 N LEU A 82 -1.706 -9.531 3.103 1.00 93.28 N
665
+ ATOM 665 O LEU A 82 0.752 -8.449 4.140 1.00 93.27 O
666
+ ATOM 666 C TRP A 83 2.723 -5.994 2.153 1.00 94.49 C
667
+ ATOM 667 CA TRP A 83 2.473 -7.498 2.182 1.00 94.79 C
668
+ ATOM 668 CB TRP A 83 3.276 -8.182 1.073 1.00 93.74 C
669
+ ATOM 669 CD1 TRP A 83 2.112 -10.418 0.585 1.00 78.91 C
670
+ ATOM 670 CD2 TRP A 83 4.110 -10.614 1.576 1.00 80.26 C
671
+ ATOM 671 CE2 TRP A 83 3.582 -11.906 1.366 1.00 83.46 C
672
+ ATOM 672 CE3 TRP A 83 5.365 -10.484 2.189 1.00 82.57 C
673
+ ATOM 673 CG TRP A 83 3.155 -9.677 1.068 1.00 88.00 C
674
+ ATOM 674 CH2 TRP A 83 5.490 -12.908 2.344 1.00 81.05 C
675
+ ATOM 675 CZ2 TRP A 83 4.265 -13.063 1.747 1.00 84.66 C
676
+ ATOM 676 CZ3 TRP A 83 6.043 -11.637 2.567 1.00 82.50 C
677
+ ATOM 677 N TRP A 83 1.050 -7.792 2.042 1.00 94.35 N
678
+ ATOM 678 NE1 TRP A 83 2.363 -11.760 0.760 1.00 87.52 N
679
+ ATOM 679 O TRP A 83 2.547 -5.349 1.117 1.00 93.72 O
680
+ ATOM 680 C PHE A 84 4.824 -3.699 3.213 1.00 95.49 C
681
+ ATOM 681 CA PHE A 84 3.334 -3.993 3.342 1.00 95.53 C
682
+ ATOM 682 CB PHE A 84 2.801 -3.435 4.665 1.00 95.13 C
683
+ ATOM 683 CD1 PHE A 84 0.559 -2.332 4.382 1.00 92.27 C
684
+ ATOM 684 CD2 PHE A 84 0.630 -4.560 5.246 1.00 91.93 C
685
+ ATOM 685 CE1 PHE A 84 -0.832 -2.335 4.474 1.00 91.70 C
686
+ ATOM 686 CE2 PHE A 84 -0.759 -4.571 5.340 1.00 91.55 C
687
+ ATOM 687 CG PHE A 84 1.299 -3.443 4.766 1.00 94.23 C
688
+ ATOM 688 CZ PHE A 84 -1.487 -3.458 4.955 1.00 90.75 C
689
+ ATOM 689 N PHE A 84 3.080 -5.427 3.250 1.00 95.31 N
690
+ ATOM 690 O PHE A 84 5.635 -4.228 3.977 1.00 95.18 O
691
+ ATOM 691 C TRP A 85 6.648 -0.925 2.452 1.00 95.73 C
692
+ ATOM 692 CA TRP A 85 6.460 -2.395 2.093 1.00 95.88 C
693
+ ATOM 693 CB TRP A 85 6.866 -2.633 0.635 1.00 95.24 C
694
+ ATOM 694 CD1 TRP A 85 5.802 -4.795 -0.250 1.00 78.43 C
695
+ ATOM 695 CD2 TRP A 85 7.972 -4.978 0.274 1.00 79.09 C
696
+ ATOM 696 CE2 TRP A 85 7.513 -6.229 -0.194 1.00 78.75 C
697
+ ATOM 697 CE3 TRP A 85 9.311 -4.850 0.665 1.00 75.42 C
698
+ ATOM 698 CG TRP A 85 6.862 -4.077 0.230 1.00 90.28 C
699
+ ATOM 699 CH2 TRP A 85 9.654 -7.193 0.105 1.00 78.53 C
700
+ ATOM 700 CZ2 TRP A 85 8.348 -7.345 -0.283 1.00 85.23 C
701
+ ATOM 701 CZ3 TRP A 85 10.140 -5.963 0.577 1.00 80.01 C
702
+ ATOM 702 N TRP A 85 5.081 -2.815 2.316 1.00 95.80 N
703
+ ATOM 703 NE1 TRP A 85 6.188 -6.091 -0.508 1.00 88.25 N
704
+ ATOM 704 O TRP A 85 5.916 -0.061 1.961 1.00 95.16 O
705
+ ATOM 705 C LEU A 86 8.923 1.329 2.551 1.00 95.66 C
706
+ ATOM 706 CA LEU A 86 7.983 0.743 3.599 1.00 95.72 C
707
+ ATOM 707 CB LEU A 86 8.628 0.828 4.985 1.00 95.09 C
708
+ ATOM 708 CD1 LEU A 86 7.687 3.069 5.599 1.00 86.19 C
709
+ ATOM 709 CD2 LEU A 86 9.668 2.159 6.841 1.00 85.34 C
710
+ ATOM 710 CG LEU A 86 8.957 2.232 5.495 1.00 92.41 C
711
+ ATOM 711 N LEU A 86 7.642 -0.639 3.278 1.00 95.69 N
712
+ ATOM 712 O LEU A 86 10.039 0.839 2.370 1.00 95.26 O
713
+ ATOM 713 C VAL A 87 9.658 4.376 1.265 1.00 95.37 C
714
+ ATOM 714 CA VAL A 87 9.173 3.006 0.796 1.00 95.68 C
715
+ ATOM 715 CB VAL A 87 8.296 3.157 -0.468 1.00 95.40 C
716
+ ATOM 716 CG1 VAL A 87 9.087 3.809 -1.600 1.00 94.56 C
717
+ ATOM 717 CG2 VAL A 87 7.755 1.796 -0.905 1.00 94.36 C
718
+ ATOM 718 N VAL A 87 8.450 2.342 1.875 1.00 95.66 N
719
+ ATOM 719 O VAL A 87 8.855 5.284 1.488 1.00 94.75 O
720
+ ATOM 720 C GLU A 88 12.293 6.526 0.832 1.00 94.19 C
721
+ ATOM 721 CA GLU A 88 11.476 5.762 1.870 1.00 94.62 C
722
+ ATOM 722 CB GLU A 88 12.331 5.481 3.108 1.00 93.72 C
723
+ ATOM 723 CD GLU A 88 12.415 4.604 5.491 1.00 88.52 C
724
+ ATOM 724 CG GLU A 88 11.548 4.903 4.279 1.00 90.67 C
725
+ ATOM 725 N GLU A 88 10.950 4.518 1.317 1.00 94.78 N
726
+ ATOM 726 O GLU A 88 12.617 7.699 1.030 1.00 93.09 O
727
+ ATOM 727 OE1 GLU A 88 13.384 3.822 5.366 1.00 84.76 O
728
+ ATOM 728 OE2 GLU A 88 12.122 5.156 6.575 1.00 85.37 O
729
+ ATOM 729 C ARG A 89 12.552 6.046 -2.686 1.00 94.75 C
730
+ ATOM 730 CA ARG A 89 13.179 6.544 -1.388 1.00 94.60 C
731
+ ATOM 731 CB ARG A 89 14.687 6.287 -1.402 1.00 93.05 C
732
+ ATOM 732 CD ARG A 89 16.955 6.938 -2.283 1.00 78.14 C
733
+ ATOM 733 CG ARG A 89 15.452 7.164 -2.379 1.00 82.38 C
734
+ ATOM 734 CZ ARG A 89 18.992 7.595 -3.523 1.00 67.96 C
735
+ ATOM 735 N ARG A 89 12.560 5.908 -0.229 1.00 94.64 N
736
+ ATOM 736 NE ARG A 89 17.677 7.654 -3.331 1.00 73.15 N
737
+ ATOM 737 NH1 ARG A 89 19.758 6.848 -2.735 1.00 58.05 N
738
+ ATOM 738 NH2 ARG A 89 19.544 8.288 -4.507 1.00 52.91 N
739
+ ATOM 739 O ARG A 89 12.324 4.846 -2.850 1.00 94.28 O
740
+ ATOM 740 C TRP A 90 12.051 7.670 -5.869 1.00 94.12 C
741
+ ATOM 741 CA TRP A 90 11.696 6.658 -4.785 1.00 94.96 C
742
+ ATOM 742 CB TRP A 90 10.175 6.582 -4.618 1.00 94.65 C
743
+ ATOM 743 CD1 TRP A 90 9.059 8.873 -4.920 1.00 91.07 C
744
+ ATOM 744 CD2 TRP A 90 9.354 8.263 -2.786 1.00 91.34 C
745
+ ATOM 745 CE2 TRP A 90 8.736 9.533 -2.812 1.00 91.83 C
746
+ ATOM 746 CE3 TRP A 90 9.640 7.672 -1.548 1.00 92.76 C
747
+ ATOM 747 CG TRP A 90 9.550 7.860 -4.145 1.00 93.69 C
748
+ ATOM 748 CH2 TRP A 90 8.690 9.623 -0.447 1.00 90.65 C
749
+ ATOM 749 CZ2 TRP A 90 8.399 10.223 -1.646 1.00 91.69 C
750
+ ATOM 750 CZ3 TRP A 90 9.304 8.360 -0.388 1.00 91.52 C
751
+ ATOM 751 N TRP A 90 12.334 7.006 -3.519 1.00 94.75 N
752
+ ATOM 752 NE1 TRP A 90 8.567 9.882 -4.125 1.00 92.98 N
753
+ ATOM 753 O TRP A 90 12.569 8.749 -5.575 1.00 92.62 O
754
+ ATOM 754 C GLU A 91 10.444 8.567 -8.746 1.00 93.22 C
755
+ ATOM 755 CA GLU A 91 11.851 8.209 -8.273 1.00 93.24 C
756
+ ATOM 756 CB GLU A 91 12.647 7.579 -9.418 1.00 91.80 C
757
+ ATOM 757 CD GLU A 91 13.658 7.872 -11.730 1.00 75.60 C
758
+ ATOM 758 CG GLU A 91 12.886 8.518 -10.591 1.00 81.35 C
759
+ ATOM 759 N GLU A 91 11.809 7.312 -7.122 1.00 93.40 N
760
+ ATOM 760 O GLU A 91 9.568 7.703 -8.809 1.00 92.36 O
761
+ ATOM 761 OE1 GLU A 91 13.969 6.662 -11.643 1.00 71.30 O
762
+ ATOM 762 OE2 GLU A 91 13.957 8.581 -12.716 1.00 68.94 O
763
+ ATOM 763 C GLY A 92 8.250 11.115 -8.492 1.00 91.20 C
764
+ ATOM 764 CA GLY A 92 9.015 10.378 -9.576 1.00 91.28 C
765
+ ATOM 765 N GLY A 92 10.307 9.881 -9.127 1.00 91.29 N
766
+ ATOM 766 O GLY A 92 8.702 11.189 -7.347 1.00 90.25 O
767
+ ATOM 767 C GLU A 93 4.977 11.607 -7.741 1.00 90.49 C
768
+ ATOM 768 CA GLU A 93 6.316 12.323 -7.889 1.00 90.05 C
769
+ ATOM 769 CB GLU A 93 6.095 13.761 -8.364 1.00 87.53 C
770
+ ATOM 770 CD GLU A 93 5.986 14.815 -6.055 1.00 70.99 C
771
+ ATOM 771 CG GLU A 93 5.291 14.613 -7.392 1.00 76.33 C
772
+ ATOM 772 N GLU A 93 7.198 11.608 -8.807 1.00 90.18 N
773
+ ATOM 773 O GLU A 93 4.242 11.447 -8.718 1.00 89.25 O
774
+ ATOM 774 OE1 GLU A 93 7.237 14.788 -6.010 1.00 65.77 O
775
+ ATOM 775 OE2 GLU A 93 5.274 15.001 -5.043 1.00 63.09 O
776
+ ATOM 776 C PRO A 94 2.289 11.249 -6.709 1.00 88.71 C
777
+ ATOM 777 CA PRO A 94 3.518 10.418 -6.348 1.00 90.22 C
778
+ ATOM 778 CB PRO A 94 3.508 10.045 -4.862 1.00 89.34 C
779
+ ATOM 779 CD PRO A 94 5.587 11.224 -5.314 1.00 88.01 C
780
+ ATOM 780 CG PRO A 94 4.924 10.219 -4.416 1.00 88.70 C
781
+ ATOM 781 N PRO A 94 4.769 11.162 -6.501 1.00 90.18 N
782
+ ATOM 782 O PRO A 94 2.143 12.379 -6.236 1.00 85.84 O
783
+ ATOM 783 C TRP A 95 -0.678 10.260 -8.325 1.00 79.89 C
784
+ ATOM 784 CA TRP A 95 0.268 11.403 -7.971 1.00 85.55 C
785
+ ATOM 785 CB TRP A 95 0.361 12.387 -9.142 1.00 78.53 C
786
+ ATOM 786 CD1 TRP A 95 1.983 11.216 -10.749 1.00 56.68 C
787
+ ATOM 787 CD2 TRP A 95 -0.050 11.596 -11.604 1.00 58.14 C
788
+ ATOM 788 CE2 TRP A 95 0.739 10.953 -12.583 1.00 48.20 C
789
+ ATOM 789 CE3 TRP A 95 -1.374 11.936 -11.915 1.00 56.66 C
790
+ ATOM 790 CG TRP A 95 0.765 11.753 -10.439 1.00 64.47 C
791
+ ATOM 791 CH2 TRP A 95 -1.051 10.988 -14.132 1.00 55.95 C
792
+ ATOM 792 CZ2 TRP A 95 0.246 10.644 -13.853 1.00 65.57 C
793
+ ATOM 793 CZ3 TRP A 95 -1.862 11.626 -13.179 1.00 49.36 C
794
+ ATOM 794 N TRP A 95 1.591 10.897 -7.623 1.00 86.04 N
795
+ ATOM 795 NE1 TRP A 95 1.974 10.733 -12.037 1.00 60.67 N
796
+ ATOM 796 O TRP A 95 -0.253 9.244 -8.878 1.00 68.83 O
797
+ ATOM 797 C GLY A 96 -3.295 9.104 -9.264 1.00 74.57 C
798
+ ATOM 798 CA GLY A 96 -2.866 9.222 -7.814 1.00 74.10 C
799
+ ATOM 799 N GLY A 96 -1.828 10.218 -7.605 1.00 75.93 N
800
+ ATOM 800 O GLY A 96 -3.917 10.018 -9.809 1.00 69.33 O
801
+ ATOM 801 C LYS A 97 -4.390 7.072 -11.534 1.00 71.12 C
802
+ ATOM 802 CA LYS A 97 -3.104 7.878 -11.381 1.00 72.27 C
803
+ ATOM 803 CB LYS A 97 -1.960 7.184 -12.121 1.00 67.16 C
804
+ ATOM 804 CD LYS A 97 0.288 7.380 -13.237 1.00 60.94 C
805
+ ATOM 805 CE LYS A 97 1.360 8.353 -13.711 1.00 52.10 C
806
+ ATOM 806 CG LYS A 97 -0.749 8.073 -12.363 1.00 62.04 C
807
+ ATOM 807 N LYS A 97 -2.765 8.065 -9.973 1.00 73.71 N
808
+ ATOM 808 NZ LYS A 97 2.323 7.701 -14.649 1.00 45.34 N
809
+ ATOM 809 O LYS A 97 -5.133 7.255 -12.501 1.00 64.93 O
810
+ ATOM 810 C GLU A 98 -6.681 5.282 -9.602 1.00 62.85 C
811
+ ATOM 811 CA GLU A 98 -5.737 5.104 -10.788 1.00 62.44 C
812
+ ATOM 812 CB GLU A 98 -5.204 3.670 -10.826 1.00 58.38 C
813
+ ATOM 813 CD GLU A 98 -4.086 1.855 -12.207 1.00 56.46 C
814
+ ATOM 814 CG GLU A 98 -4.451 3.327 -12.103 1.00 55.21 C
815
+ ATOM 815 N GLU A 98 -4.636 6.061 -10.735 1.00 65.98 N
816
+ ATOM 816 O GLU A 98 -6.243 5.294 -8.450 1.00 57.25 O
817
+ ATOM 817 OE1 GLU A 98 -4.309 1.104 -11.230 1.00 59.16 O
818
+ ATOM 818 OE2 GLU A 98 -3.572 1.449 -13.274 1.00 52.46 O
819
+ ATOM 819 C GLY A 99 -8.553 8.144 -8.407 1.00 61.35 C
820
+ ATOM 820 CA GLY A 99 -8.616 6.685 -8.819 1.00 59.45 C
821
+ ATOM 821 N GLY A 99 -7.615 6.326 -9.810 1.00 60.88 N
822
+ ATOM 822 O GLY A 99 -8.334 9.021 -9.244 1.00 56.20 O
823
+ ATOM 823 C GLN A 100 -7.375 10.133 -6.282 1.00 66.03 C
824
+ ATOM 824 CA GLN A 100 -8.824 9.725 -6.530 1.00 65.67 C
825
+ ATOM 825 CB GLN A 100 -9.627 9.824 -5.232 1.00 57.68 C
826
+ ATOM 826 CD GLN A 100 -11.914 9.846 -4.148 1.00 54.72 C
827
+ ATOM 827 CG GLN A 100 -11.118 9.571 -5.410 1.00 52.21 C
828
+ ATOM 828 N GLN A 100 -8.904 8.376 -7.081 1.00 64.91 N
829
+ ATOM 829 NE2 GLN A 100 -13.237 9.776 -4.255 1.00 41.08 N
830
+ ATOM 830 O GLN A 100 -6.525 9.285 -6.003 1.00 61.71 O
831
+ ATOM 831 OE1 GLN A 100 -11.346 10.116 -3.086 1.00 54.51 O
832
+ ATOM 832 C PRO A 101 -5.352 11.541 -4.875 1.00 77.71 C
833
+ ATOM 833 CA PRO A 101 -5.820 11.879 -6.289 1.00 75.70 C
834
+ ATOM 834 CB PRO A 101 -6.003 13.390 -6.456 1.00 72.21 C
835
+ ATOM 835 CD PRO A 101 -8.101 12.232 -6.868 1.00 66.32 C
836
+ ATOM 836 CG PRO A 101 -7.390 13.549 -6.987 1.00 67.98 C
837
+ ATOM 837 N PRO A 101 -7.149 11.342 -6.589 1.00 75.86 N
838
+ ATOM 838 O PRO A 101 -6.174 11.405 -3.965 1.00 75.66 O
839
+ ATOM 839 C GLY A 102 -2.997 12.208 -2.859 1.00 87.91 C
840
+ ATOM 840 CA GLY A 102 -3.473 10.931 -3.525 1.00 87.67 C
841
+ ATOM 841 N GLY A 102 -4.106 11.159 -4.813 1.00 87.33 N
842
+ ATOM 842 O GLY A 102 -2.957 13.266 -3.490 1.00 86.32 O
843
+ ATOM 843 C GLU A 103 -1.406 12.838 0.269 1.00 91.39 C
844
+ ATOM 844 CA GLU A 103 -2.352 13.316 -0.829 1.00 90.48 C
845
+ ATOM 845 CB GLU A 103 -3.505 14.116 -0.218 1.00 89.08 C
846
+ ATOM 846 CD GLU A 103 -5.568 14.089 1.265 1.00 80.17 C
847
+ ATOM 847 CG GLU A 103 -4.372 13.311 0.740 1.00 83.28 C
848
+ ATOM 848 N GLU A 103 -2.862 12.194 -1.610 1.00 90.22 N
849
+ ATOM 849 O GLU A 103 -1.481 11.686 0.703 1.00 91.02 O
850
+ ATOM 850 OE1 GLU A 103 -5.506 15.339 1.311 1.00 76.42 O
851
+ ATOM 851 OE2 GLU A 103 -6.575 13.444 1.632 1.00 73.20 O
852
+ ATOM 852 C TRP A 104 -0.477 13.773 3.062 1.00 91.58 C
853
+ ATOM 853 CA TRP A 104 0.282 13.496 1.768 1.00 92.59 C
854
+ ATOM 854 CB TRP A 104 1.542 14.365 1.705 1.00 91.81 C
855
+ ATOM 855 CD1 TRP A 104 2.643 14.559 -0.605 1.00 87.76 C
856
+ ATOM 856 CD2 TRP A 104 3.444 12.897 0.663 1.00 88.71 C
857
+ ATOM 857 CE2 TRP A 104 4.128 12.893 -0.572 1.00 90.78 C
858
+ ATOM 858 CE3 TRP A 104 3.779 11.937 1.628 1.00 89.05 C
859
+ ATOM 859 CG TRP A 104 2.499 13.971 0.621 1.00 90.65 C
860
+ ATOM 860 CH2 TRP A 104 5.437 11.037 0.093 1.00 86.08 C
861
+ ATOM 861 CZ2 TRP A 104 5.129 11.964 -0.868 1.00 86.79 C
862
+ ATOM 862 CZ3 TRP A 104 4.775 11.014 1.331 1.00 87.21 C
863
+ ATOM 863 N TRP A 104 -0.565 13.738 0.604 1.00 91.77 N
864
+ ATOM 864 NE1 TRP A 104 3.621 13.916 -1.327 1.00 87.95 N
865
+ ATOM 865 O TRP A 104 -1.101 14.827 3.209 1.00 90.00 O
866
+ ATOM 866 C MET A 105 0.010 12.763 6.374 1.00 93.09 C
867
+ ATOM 867 CA MET A 105 -1.004 13.015 5.263 1.00 93.03 C
868
+ ATOM 868 CB MET A 105 -2.182 12.048 5.401 1.00 91.89 C
869
+ ATOM 869 CE MET A 105 -5.408 11.800 6.213 1.00 75.10 C
870
+ ATOM 870 CG MET A 105 -3.317 12.322 4.427 1.00 85.72 C
871
+ ATOM 871 N MET A 105 -0.382 12.880 3.949 1.00 93.00 N
872
+ ATOM 872 O MET A 105 0.834 11.852 6.273 1.00 92.42 O
873
+ ATOM 873 SD MET A 105 -4.728 11.171 4.652 1.00 81.96 S
874
+ ATOM 874 C SER A 106 0.448 12.003 9.169 1.00 92.84 C
875
+ ATOM 875 CA SER A 106 0.704 13.367 8.534 1.00 92.82 C
876
+ ATOM 876 CB SER A 106 0.506 14.468 9.576 1.00 91.55 C
877
+ ATOM 877 N SER A 106 -0.167 13.586 7.385 1.00 92.82 N
878
+ ATOM 878 O SER A 106 -0.704 11.609 9.360 1.00 92.12 O
879
+ ATOM 879 OG SER A 106 1.197 14.157 10.774 1.00 82.60 O
880
+ ATOM 880 C LEU A 107 0.613 10.066 11.400 1.00 90.36 C
881
+ ATOM 881 CA LEU A 107 1.386 9.988 10.088 1.00 91.26 C
882
+ ATOM 882 CB LEU A 107 2.775 9.394 10.336 1.00 89.48 C
883
+ ATOM 883 CD1 LEU A 107 2.007 7.011 10.223 1.00 75.99 C
884
+ ATOM 884 CD2 LEU A 107 4.256 7.556 11.191 1.00 75.65 C
885
+ ATOM 885 CG LEU A 107 2.816 8.027 11.020 1.00 82.79 C
886
+ ATOM 886 N LEU A 107 1.496 11.305 9.471 1.00 91.65 N
887
+ ATOM 887 O LEU A 107 -0.231 9.211 11.680 1.00 88.60 O
888
+ ATOM 888 C VAL A 108 -1.344 11.500 13.322 1.00 88.20 C
889
+ ATOM 889 CA VAL A 108 0.153 11.275 13.522 1.00 88.18 C
890
+ ATOM 890 CB VAL A 108 0.766 12.449 14.319 1.00 85.81 C
891
+ ATOM 891 CG1 VAL A 108 -0.018 12.695 15.607 1.00 72.78 C
892
+ ATOM 892 CG2 VAL A 108 2.235 12.172 14.629 1.00 72.19 C
893
+ ATOM 893 N VAL A 108 0.806 11.107 12.228 1.00 88.91 N
894
+ ATOM 894 O VAL A 108 -2.156 11.100 14.160 1.00 86.61 O
895
+ ATOM 895 C GLY A 109 -3.909 11.208 11.329 1.00 88.71 C
896
+ ATOM 896 CA GLY A 109 -3.114 12.341 11.950 1.00 88.48 C
897
+ ATOM 897 N GLY A 109 -1.727 11.988 12.214 1.00 88.90 N
898
+ ATOM 898 O GLY A 109 -5.123 11.325 11.144 1.00 87.25 O
899
+ ATOM 899 C LEU A 110 -4.892 8.409 11.405 1.00 90.38 C
900
+ ATOM 900 CA LEU A 110 -3.937 9.042 10.398 1.00 91.07 C
901
+ ATOM 901 CB LEU A 110 -2.962 7.987 9.871 1.00 89.84 C
902
+ ATOM 902 CD1 LEU A 110 -1.165 7.261 8.279 1.00 80.99 C
903
+ ATOM 903 CD2 LEU A 110 -2.847 8.984 7.569 1.00 80.78 C
904
+ ATOM 904 CG LEU A 110 -2.037 8.427 8.736 1.00 86.09 C
905
+ ATOM 905 N LEU A 110 -3.211 10.154 10.999 1.00 91.20 N
906
+ ATOM 906 O LEU A 110 -4.494 8.090 12.529 1.00 88.72 O
907
+ ATOM 907 C ASN A 111 -7.405 6.252 11.242 1.00 91.69 C
908
+ ATOM 908 CA ASN A 111 -7.112 7.635 11.817 1.00 91.50 C
909
+ ATOM 909 CB ASN A 111 -8.394 8.468 11.875 1.00 89.86 C
910
+ ATOM 910 CG ASN A 111 -9.439 7.868 12.796 1.00 83.52 C
911
+ ATOM 911 N ASN A 111 -6.084 8.329 11.048 1.00 91.32 N
912
+ ATOM 912 ND2 ASN A 111 -10.607 8.497 12.855 1.00 80.51 N
913
+ ATOM 913 O ASN A 111 -7.897 6.134 10.119 1.00 90.92 O
914
+ ATOM 914 OD1 ASN A 111 -9.197 6.849 13.448 1.00 80.10 O
915
+ ATOM 915 C ALA A 112 -8.707 3.589 11.101 1.00 91.33 C
916
+ ATOM 916 CA ALA A 112 -7.279 3.861 11.566 1.00 91.40 C
917
+ ATOM 917 CB ALA A 112 -6.889 2.883 12.671 1.00 89.68 C
918
+ ATOM 918 N ALA A 112 -7.131 5.239 12.030 1.00 91.30 N
919
+ ATOM 919 O ALA A 112 -8.931 2.754 10.221 1.00 90.14 O
920
+ ATOM 920 C ASP A 113 -11.376 4.576 9.844 1.00 91.33 C
921
+ ATOM 921 CA ASP A 113 -11.103 4.146 11.284 1.00 91.20 C
922
+ ATOM 922 CB ASP A 113 -12.009 4.920 12.244 1.00 89.70 C
923
+ ATOM 923 CG ASP A 113 -12.062 4.309 13.632 1.00 83.92 C
924
+ ATOM 924 N ASP A 113 -9.701 4.341 11.633 1.00 91.34 N
925
+ ATOM 925 O ASP A 113 -12.380 4.176 9.250 1.00 90.32 O
926
+ ATOM 926 OD1 ASP A 113 -11.786 3.098 13.777 1.00 79.67 O
927
+ ATOM 927 OD2 ASP A 113 -12.385 5.044 14.591 1.00 80.84 O
928
+ ATOM 928 C ASP A 114 -10.191 4.781 6.890 1.00 91.78 C
929
+ ATOM 929 CA ASP A 114 -10.692 5.799 7.911 1.00 91.80 C
930
+ ATOM 930 CB ASP A 114 -9.966 7.133 7.723 1.00 90.84 C
931
+ ATOM 931 CG ASP A 114 -10.567 8.257 8.548 1.00 87.79 C
932
+ ATOM 932 N ASP A 114 -10.514 5.307 9.273 1.00 91.53 N
933
+ ATOM 933 O ASP A 114 -10.374 4.961 5.684 1.00 90.85 O
934
+ ATOM 934 OD1 ASP A 114 -11.795 8.253 8.781 1.00 85.20 O
935
+ ATOM 935 OD2 ASP A 114 -9.807 9.156 8.969 1.00 85.69 O
936
+ ATOM 936 C PHE A 115 -9.641 1.419 6.671 1.00 91.76 C
937
+ ATOM 937 CA PHE A 115 -8.903 2.746 6.537 1.00 92.37 C
938
+ ATOM 938 CB PHE A 115 -7.424 2.562 6.891 1.00 92.13 C
939
+ ATOM 939 CD1 PHE A 115 -5.811 3.793 5.403 1.00 91.24 C
940
+ ATOM 940 CD2 PHE A 115 -6.522 4.846 7.429 1.00 91.08 C
941
+ ATOM 941 CE1 PHE A 115 -5.018 4.898 5.102 1.00 90.62 C
942
+ ATOM 942 CE2 PHE A 115 -5.733 5.953 7.135 1.00 90.80 C
943
+ ATOM 943 CG PHE A 115 -6.568 3.758 6.568 1.00 92.27 C
944
+ ATOM 944 CZ PHE A 115 -4.981 5.977 5.970 1.00 90.57 C
945
+ ATOM 945 N PHE A 115 -9.509 3.765 7.385 1.00 92.12 N
946
+ ATOM 946 O PHE A 115 -10.428 1.233 7.600 1.00 90.68 O
947
+ ATOM 947 C PRO A 116 -9.404 -1.473 7.260 1.00 90.28 C
948
+ ATOM 948 CA PRO A 116 -9.905 -0.865 5.953 1.00 90.05 C
949
+ ATOM 949 CB PRO A 116 -9.385 -1.653 4.748 1.00 89.17 C
950
+ ATOM 950 CD PRO A 116 -8.684 0.640 4.338 1.00 85.92 C
951
+ ATOM 951 CG PRO A 116 -9.164 -0.626 3.686 1.00 86.91 C
952
+ ATOM 952 N PRO A 116 -9.388 0.485 5.722 1.00 90.05 N
953
+ ATOM 953 O PRO A 116 -8.247 -1.269 7.637 1.00 89.60 O
954
+ ATOM 954 C PRO A 117 -8.556 -3.586 9.139 1.00 89.53 C
955
+ ATOM 955 CA PRO A 117 -9.863 -2.796 9.171 1.00 89.43 C
956
+ ATOM 956 CB PRO A 117 -11.045 -3.708 9.506 1.00 87.85 C
957
+ ATOM 957 CD PRO A 117 -11.690 -2.489 7.503 1.00 81.81 C
958
+ ATOM 958 CG PRO A 117 -12.203 -3.121 8.764 1.00 83.54 C
959
+ ATOM 959 N PRO A 117 -10.221 -2.243 7.863 1.00 89.32 N
960
+ ATOM 960 O PRO A 117 -7.834 -3.633 10.139 1.00 88.50 O
961
+ ATOM 961 C ALA A 118 -5.768 -4.092 8.147 1.00 90.37 C
962
+ ATOM 962 CA ALA A 118 -7.017 -4.948 7.959 1.00 89.91 C
963
+ ATOM 963 CB ALA A 118 -6.987 -5.637 6.597 1.00 89.00 C
964
+ ATOM 964 N ALA A 118 -8.229 -4.145 8.097 1.00 89.71 N
965
+ ATOM 965 O ALA A 118 -4.692 -4.611 8.453 1.00 89.60 O
966
+ ATOM 966 C ASN A 119 -4.472 -1.430 9.441 1.00 91.89 C
967
+ ATOM 967 CA ASN A 119 -4.742 -1.908 8.018 1.00 91.88 C
968
+ ATOM 968 CB ASN A 119 -4.949 -0.714 7.085 1.00 90.81 C
969
+ ATOM 969 CG ASN A 119 -4.900 -1.100 5.620 1.00 87.92 C
970
+ ATOM 970 N ASN A 119 -5.893 -2.805 7.964 1.00 91.43 N
971
+ ATOM 971 ND2 ASN A 119 -5.087 -0.122 4.742 1.00 85.67 N
972
+ ATOM 972 O ASN A 119 -3.442 -0.806 9.706 1.00 90.98 O
973
+ ATOM 973 OD1 ASN A 119 -4.695 -2.268 5.281 1.00 85.14 O
974
+ ATOM 974 C GLU A 120 -4.001 -1.424 12.356 1.00 92.03 C
975
+ ATOM 975 CA GLU A 120 -5.315 -1.060 11.671 1.00 92.04 C
976
+ ATOM 976 CB GLU A 120 -6.499 -1.533 12.518 1.00 90.15 C
977
+ ATOM 977 CD GLU A 120 -7.568 -1.604 14.821 1.00 75.97 C
978
+ ATOM 978 CG GLU A 120 -6.495 -0.988 13.939 1.00 80.58 C
979
+ ATOM 979 N GLU A 120 -5.386 -1.630 10.328 1.00 92.08 N
980
+ ATOM 980 O GLU A 120 -3.323 -0.556 12.911 1.00 90.95 O
981
+ ATOM 981 OE1 GLU A 120 -8.452 -2.317 14.294 1.00 72.39 O
982
+ ATOM 982 OE2 GLU A 120 -7.527 -1.371 16.050 1.00 69.70 O
983
+ ATOM 983 C PRO A 121 -1.131 -2.330 12.413 1.00 91.97 C
984
+ ATOM 984 CA PRO A 121 -2.340 -3.003 13.060 1.00 91.85 C
985
+ ATOM 985 CB PRO A 121 -2.250 -4.525 12.933 1.00 90.73 C
986
+ ATOM 986 CD PRO A 121 -4.349 -3.831 11.919 1.00 87.17 C
987
+ ATOM 987 CG PRO A 121 -3.642 -4.964 12.605 1.00 87.77 C
988
+ ATOM 988 N PRO A 121 -3.597 -2.681 12.379 1.00 91.70 N
989
+ ATOM 989 O PRO A 121 -0.176 -1.972 13.107 1.00 91.29 O
990
+ ATOM 990 C VAL A 122 0.060 -0.083 10.761 1.00 93.54 C
991
+ ATOM 991 CA VAL A 122 -0.029 -1.568 10.419 1.00 93.62 C
992
+ ATOM 992 CB VAL A 122 -0.166 -1.756 8.890 1.00 92.26 C
993
+ ATOM 993 CG1 VAL A 122 0.852 -0.893 8.148 1.00 77.91 C
994
+ ATOM 994 CG2 VAL A 122 0.003 -3.228 8.517 1.00 77.70 C
995
+ ATOM 995 N VAL A 122 -1.147 -2.174 11.135 1.00 93.57 N
996
+ ATOM 996 O VAL A 122 1.154 0.448 10.963 1.00 92.68 O
997
+ ATOM 997 C ILE A 123 -0.640 2.157 12.594 1.00 93.17 C
998
+ ATOM 998 CA ILE A 123 -1.136 1.968 11.162 1.00 93.77 C
999
+ ATOM 999 CB ILE A 123 -2.558 2.553 11.006 1.00 93.10 C
1000
+ ATOM 1000 CD1 ILE A 123 -4.440 2.853 9.293 1.00 87.15 C
1001
+ ATOM 1001 CG1 ILE A 123 -2.957 2.596 9.527 1.00 90.38 C
1002
+ ATOM 1002 CG2 ILE A 123 -2.641 3.947 11.636 1.00 89.78 C
1003
+ ATOM 1003 N ILE A 123 -1.100 0.553 10.811 1.00 93.71 N
1004
+ ATOM 1004 O ILE A 123 0.133 3.077 12.874 1.00 91.97 O
1005
+ ATOM 1005 C ALA A 124 0.941 1.200 14.923 1.00 92.43 C
1006
+ ATOM 1006 CA ALA A 124 -0.574 1.366 14.853 1.00 92.61 C
1007
+ ATOM 1007 CB ALA A 124 -1.262 0.292 15.692 1.00 91.59 C
1008
+ ATOM 1008 N ALA A 124 -1.044 1.310 13.472 1.00 92.69 N
1009
+ ATOM 1009 O ALA A 124 1.620 1.933 15.646 1.00 91.56 O
1010
+ ATOM 1010 C LYS A 125 3.613 1.212 13.598 1.00 92.95 C
1011
+ ATOM 1011 CA LYS A 125 2.858 0.023 14.186 1.00 93.19 C
1012
+ ATOM 1012 CB LYS A 125 3.176 -1.245 13.391 1.00 92.29 C
1013
+ ATOM 1013 CD LYS A 125 4.879 -2.983 12.744 1.00 85.14 C
1014
+ ATOM 1014 CE LYS A 125 6.356 -3.353 12.727 1.00 80.40 C
1015
+ ATOM 1015 CG LYS A 125 4.650 -1.623 13.393 1.00 88.26 C
1016
+ ATOM 1016 N LYS A 125 1.419 0.270 14.203 1.00 93.28 N
1017
+ ATOM 1017 NZ LYS A 125 6.581 -4.703 12.131 1.00 73.74 N
1018
+ ATOM 1018 O LYS A 125 4.676 1.587 14.097 1.00 92.03 O
1019
+ ATOM 1019 C LEU A 126 3.830 4.140 12.902 1.00 91.18 C
1020
+ ATOM 1020 CA LEU A 126 3.714 2.981 11.917 1.00 92.11 C
1021
+ ATOM 1021 CB LEU A 126 2.912 3.419 10.688 1.00 91.00 C
1022
+ ATOM 1022 CD1 LEU A 126 2.103 2.981 8.356 1.00 79.18 C
1023
+ ATOM 1023 CD2 LEU A 126 4.557 2.873 8.872 1.00 78.86 C
1024
+ ATOM 1024 CG LEU A 126 3.150 2.621 9.404 1.00 86.03 C
1025
+ ATOM 1025 N LEU A 126 3.088 1.824 12.549 1.00 92.41 N
1026
+ ATOM 1026 O LEU A 126 4.852 4.829 12.936 1.00 89.51 O
1027
+ ATOM 1027 C LYS A 127 3.799 5.278 15.771 1.00 89.52 C
1028
+ ATOM 1028 CA LYS A 127 2.819 5.471 14.617 1.00 90.92 C
1029
+ ATOM 1029 CB LYS A 127 1.402 5.668 15.160 1.00 90.09 C
1030
+ ATOM 1030 CD LYS A 127 -0.945 6.486 14.764 1.00 86.94 C
1031
+ ATOM 1031 CE LYS A 127 -1.896 7.148 13.775 1.00 83.90 C
1032
+ ATOM 1032 CG LYS A 127 0.421 6.229 14.142 1.00 88.31 C
1033
+ ATOM 1033 N LYS A 127 2.861 4.340 13.695 1.00 91.43 N
1034
+ ATOM 1034 NZ LYS A 127 -3.211 7.474 14.404 1.00 80.93 N
1035
+ ATOM 1035 O LYS A 127 4.136 6.234 16.472 1.00 87.27 O
1036
+ ATOM 1036 C ARG A 128 6.698 4.018 16.452 1.00 87.55 C
1037
+ ATOM 1037 CA ARG A 128 5.280 3.771 16.956 1.00 88.90 C
1038
+ ATOM 1038 CB ARG A 128 5.149 2.334 17.465 1.00 86.68 C
1039
+ ATOM 1039 CD ARG A 128 3.927 0.724 18.967 1.00 75.21 C
1040
+ ATOM 1040 CG ARG A 128 3.891 2.083 18.282 1.00 78.94 C
1041
+ ATOM 1041 CZ ARG A 128 2.982 -1.337 17.979 1.00 68.61 C
1042
+ ATOM 1042 N ARG A 128 4.298 4.038 15.911 1.00 89.81 N
1043
+ ATOM 1043 NE ARG A 128 3.894 -0.369 17.999 1.00 70.16 N
1044
+ ATOM 1044 NH1 ARG A 128 2.005 -1.367 18.879 1.00 58.60 N
1045
+ ATOM 1045 NH2 ARG A 128 3.047 -2.283 17.053 1.00 54.36 N
1046
+ ATOM 1046 O ARG A 128 7.657 3.957 17.224 1.00 84.61 O
1047
+ ATOM 1047 C LEU A 129 8.547 5.996 15.057 1.00 75.34 C
1048
+ ATOM 1048 CA LEU A 129 8.068 4.602 14.668 1.00 78.37 C
1049
+ ATOM 1049 CB LEU A 129 8.059 4.459 13.143 1.00 75.94 C
1050
+ ATOM 1050 CD1 LEU A 129 7.773 3.073 11.073 1.00 69.38 C
1051
+ ATOM 1051 CD2 LEU A 129 8.984 2.127 13.057 1.00 69.47 C
1052
+ ATOM 1052 CG LEU A 129 7.857 3.046 12.596 1.00 73.15 C
1053
+ ATOM 1053 N LEU A 129 6.741 4.337 15.213 1.00 80.24 N
1054
+ ATOM 1054 O LEU A 129 9.724 6.187 15.374 1.00 69.53 O
1055
+ TER 1055 LEU A 129
1056
+ END
1ppx/1ppx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qkt/1qkt_ligand.mol2 ADDED
@@ -0,0 +1,107 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1qkt_ligand
7
+ 44 47 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 0.8670 53.1380 165.0150 C.ar 1 EST -0.0749
14
+ 2 C2 2.2480 53.1920 164.7900 C.ar 1 EST -0.0468
15
+ 3 C3 3.0360 52.0260 164.9340 C.ar 1 EST 0.0739
16
+ 4 O3 4.3950 52.1060 164.7050 O.3 1 EST -0.3393
17
+ 5 C4 2.4410 50.7930 165.3090 C.ar 1 EST -0.0385
18
+ 6 C5 1.0210 50.7210 165.5500 C.ar 1 EST -0.0491
19
+ 7 C6 0.3830 49.3850 165.9720 C.3 1 EST -0.0236
20
+ 8 C7 -1.1480 49.4320 166.2430 C.3 1 EST -0.0396
21
+ 9 C8 -1.8940 50.4480 165.3740 C.3 1 EST -0.0259
22
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23
+ 11 C10 0.2190 51.9220 165.3920 C.ar 1 EST -0.0484
24
+ 12 C11 -2.0700 52.8890 164.7620 C.3 1 EST -0.0421
25
+ 13 C12 -3.5920 52.8930 164.9630 C.3 1 EST -0.0433
26
+ 14 C13 -4.2090 51.5020 164.7630 C.3 1 EST -0.0028
27
+ 15 C14 -3.4470 50.4920 165.6850 C.3 1 EST -0.0285
28
+ 16 C15 -4.3350 49.2580 165.5460 C.3 1 EST -0.0469
29
+ 17 C16 -5.7850 49.8370 165.7130 C.3 1 EST -0.0261
30
+ 18 C17 -5.6600 51.3340 165.3010 C.3 1 EST 0.0609
31
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32
+ 20 C18 -4.1860 51.1040 163.2410 C.3 1 EST -0.0569
33
+ 21 H1 0.2761 54.0396 164.9005 H 1 EST 0.0511
34
+ 22 H2 2.7139 54.1284 164.5051 H 1 EST 0.0468
35
+ 23 H3 4.5483 52.3898 163.8115 H 1 EST 0.2457
36
+ 24 H4 3.0542 49.9053 165.4142 H 1 EST 0.0462
37
+ 25 H5 0.8803 49.0476 166.8933 H 1 EST 0.0410
38
+ 26 H6 0.5631 48.6546 165.1695 H 1 EST 0.0410
39
+ 27 H7 -1.3062 49.6955 167.2992 H 1 EST 0.0290
40
+ 28 H8 -1.5665 48.4337 166.0474 H 1 EST 0.0290
41
+ 29 H9 -1.7520 50.1782 164.3171 H 1 EST 0.0326
42
+ 30 H10 -1.4711 52.1359 166.6904 H 1 EST 0.0429
43
+ 31 H11 -1.8660 52.6539 163.7070 H 1 EST 0.0286
44
+ 32 H12 -1.6929 53.8962 164.9928 H 1 EST 0.0286
45
+ 33 H13 -4.0428 53.5874 164.2388 H 1 EST 0.0273
46
+ 34 H14 -3.8131 53.2345 165.9850 H 1 EST 0.0273
47
+ 35 H15 -3.5198 50.8288 166.7296 H 1 EST 0.0311
48
+ 36 H16 -4.1119 48.5212 166.3317 H 1 EST 0.0269
49
+ 37 H17 -4.2086 48.7905 164.5583 H 1 EST 0.0269
50
+ 38 H18 -6.1208 49.7482 166.7567 H 1 EST 0.0290
51
+ 39 H19 -6.4916 49.3107 165.0544 H 1 EST 0.0290
52
+ 40 H20 -5.7793 51.9741 166.1876 H 1 EST 0.0599
53
+ 41 H21 -7.5742 51.5297 164.7688 H 1 EST 0.2098
54
+ 42 H22 -3.1651 51.2182 162.8476 H 1 EST 0.0236
55
+ 43 H23 -4.8702 51.7580 162.6806 H 1 EST 0.0236
56
+ 44 H24 -4.5064 50.0575 163.1307 H 1 EST 0.0236
57
+ @<TRIPOS>BOND
58
+ 1 1 2 ar
59
+ 2 1 11 ar
60
+ 3 2 3 ar
61
+ 4 3 4 1
62
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63
+ 6 5 6 ar
64
+ 7 6 7 1
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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80
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86
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88
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91
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92
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93
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96
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102
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103
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104
+ 47 20 44 1
105
+ @<TRIPOS>SUBSTRUCTURE
106
+ 1 EST 1
107
+
1qkt/1qkt_ligand.sdf ADDED
@@ -0,0 +1,97 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1qkt_ligand
2
+ -I-interpret-
3
+
4
+ 44 47 0 0 0 0 0 0 0 0999 V2000
5
+ 0.8670 53.1380 165.0150 C 0 0 0 0 0
6
+ 2.2480 53.1920 164.7900 C 0 0 0 0 0
7
+ 3.0360 52.0260 164.9340 C 0 0 0 0 0
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12
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13
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14
+ -1.2990 51.8780 165.6350 C 0 0 0 0 0
15
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16
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17
+ -3.5920 52.8930 164.9630 C 0 0 0 0 0
18
+ -4.2090 51.5020 164.7630 C 0 0 0 0 0
19
+ -3.4470 50.4920 165.6850 C 0 0 0 0 0
20
+ -4.3350 49.2580 165.5460 C 0 0 0 0 0
21
+ -5.7850 49.8370 165.7130 C 0 0 0 0 0
22
+ -5.6600 51.3340 165.3010 C 0 0 0 0 0
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
+ 3.0576 49.9004 165.4148 H 0 0 0 0 0
29
+ 0.8563 49.0972 166.9108 H 0 0 0 0 0
30
+ 0.5308 48.6939 165.1421 H 0 0 0 0 0
31
+ -1.2867 49.7275 167.2830 H 0 0 0 0 0
32
+ -1.5510 48.4460 166.0116 H 0 0 0 0 0
33
+ -1.7667 50.1415 164.3358 H 0 0 0 0 0
34
+ -1.4266 52.1447 166.6841 H 0 0 0 0 0
35
+ -1.8907 52.6089 163.7240 H 0 0 0 0 0
36
+ -1.7135 53.8807 165.0403 H 0 0 0 0 0
37
+ -4.0289 53.5662 164.2255 H 0 0 0 0 0
38
+ -3.7975 53.2105 165.9853 H 0 0 0 0 0
39
+ -3.3402 50.7229 166.7449 H 0 0 0 0 0
40
+ -4.1027 48.4884 166.2821 H 0 0 0 0 0
41
+ -4.1947 48.7446 164.5947 H 0 0 0 0 0
42
+ -6.1540 49.7243 166.7324 H 0 0 0 0 0
43
+ -6.5100 49.3041 165.0978 H 0 0 0 0 0
44
+ -5.7989 52.0374 166.1220 H 0 0 0 0 0
45
+ -7.5830 51.5398 164.7773 H 0 0 0 0 0
46
+ -4.7592 51.8325 162.6676 H 0 0 0 0 0
47
+ -3.1555 51.0898 162.8860 H 0 0 0 0 0
48
+ -4.6274 50.1149 163.1187 H 0 0 0 0 0
49
+ 1 2 4 0 0 0
50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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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
+ 10 30 1 0 0 0
82
+ 12 31 1 0 0 0
83
+ 12 32 1 0 0 0
84
+ 13 33 1 0 0 0
85
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86
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87
+ 16 36 1 0 0 0
88
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89
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90
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91
+ 18 40 1 0 0 0
92
+ 19 41 1 0 0 0
93
+ 20 42 1 0 0 0
94
+ 20 43 1 0 0 0
95
+ 20 44 1 0 0 0
96
+ M END
97
+ $$$$
1qkt/1qkt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qkt/1qkt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rnt/1rnt_ligand.mol2 ADDED
@@ -0,0 +1,90 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:44 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1rnt_ligand
7
+ 36 38 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 P 19.6640 35.4300 19.2180 P.3 1 2GP 0.2015
14
+ 2 O1P 20.7560 35.1860 18.0640 O.co2 1 2GP -0.5537
15
+ 3 O2P 20.1580 36.6050 20.0270 O.co2 1 2GP -0.5537
16
+ 4 O3P 18.4070 35.4500 18.5110 O.co2 1 2GP -0.5537
17
+ 5 O5 17.7700 34.7750 23.9900 O.3 1 2GP -0.3924
18
+ 6 C5 18.7590 33.9350 24.5860 C.3 1 2GP 0.0730
19
+ 7 C4 19.4260 33.0730 23.5410 C.3 1 2GP 0.1139
20
+ 8 O4 18.3890 32.3120 22.8240 O.3 1 2GP -0.3364
21
+ 9 C3 20.2770 33.7640 22.4530 C.3 1 2GP 0.1193
22
+ 10 O3 21.2650 32.8320 22.0490 O.3 1 2GP -0.3860
23
+ 11 C2 19.2330 33.9200 21.3340 C.3 1 2GP 0.1723
24
+ 12 O2 19.9030 34.1540 20.1060 O.3 1 2GP -0.2646
25
+ 13 C1 18.5040 32.6080 21.4160 C.3 1 2GP 0.2039
26
+ 14 N9 17.1880 32.4230 20.8480 N.pl3 1 2GP -0.2098
27
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28
+ 16 N7 15.4920 31.2710 20.0350 N.2 1 2GP -0.3235
29
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30
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31
+ 19 O6 12.5270 32.2980 20.6690 O.2 1 2GP -0.4091
32
+ 20 N1 13.5740 33.8900 21.8150 N.am 1 2GP -0.1839
33
+ 21 C2 14.7280 34.5260 22.2670 C.2 1 2GP 0.2340
34
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35
+ 23 N3 15.9480 34.1530 22.0390 N.2 1 2GP -0.2765
36
+ 24 C4 16.0190 33.0400 21.2750 C.2 1 2GP 0.1159
37
+ 25 H1 17.1106 34.2362 23.5688 H 1 2GP 0.2095
38
+ 26 H2 18.2795 33.2881 25.3354 H 1 2GP 0.0584
39
+ 27 H3 19.5186 34.5624 25.0752 H 1 2GP 0.0584
40
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41
+ 29 H5 20.7175 34.7197 22.7733 H 1 2GP 0.0651
42
+ 30 H6 21.8112 33.2225 21.3769 H 1 2GP 0.2100
43
+ 31 H7 18.5453 34.7552 21.5326 H 1 2GP 0.0733
44
+ 32 H8 19.1536 31.8621 20.9348 H 1 2GP 0.1002
45
+ 33 H9 17.4665 30.6474 19.6762 H 1 2GP 0.1179
46
+ 34 H10 12.6804 34.2626 22.0653 H 1 2GP 0.2515
47
+ 35 H11 15.2686 36.1407 23.4195 H 1 2GP 0.1897
48
+ 36 H12 13.5143 35.8753 23.2335 H 1 2GP 0.1897
49
+ @<TRIPOS>BOND
50
+ 1 1 2 ar
51
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52
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53
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54
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55
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56
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57
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74
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88
+ @<TRIPOS>SUBSTRUCTURE
89
+ 1 2GP 1
90
+
1rnt/1rnt_ligand.sdf ADDED
@@ -0,0 +1,84 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1rnt_ligand
2
+ -I-interpret-
3
+
4
+ 38 40 0 0 0 0 0 0 0 0999 V2000
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+ 19.6640 35.4300 19.2180 P 0 0 0 0 0
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+ 14.9600 32.3310 20.7650 C 0 0 0 0 0
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25
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26
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+ 22 38 1 0 0 0
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+ M END
84
+ $$$$
1rnt/1rnt_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,788 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 8.966 52.888 1.410 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 7.792 52.439 2.155 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 8.197 51.751 3.455 1.00 0.00 C
5
+ ATOM 4 CB ALA A 1 6.947 51.499 1.300 1.00 0.00 C
6
+ ATOM 5 O ALA A 1 9.221 51.065 3.508 1.00 0.00 O
7
+ ATOM 6 N CYS A 2 7.476 52.200 4.511 1.00 0.00 N
8
+ ATOM 7 CA CYS A 2 7.681 51.618 5.832 1.00 0.00 C
9
+ ATOM 8 C CYS A 2 6.613 50.574 6.138 1.00 0.00 C
10
+ ATOM 9 CB CYS A 2 7.667 52.705 6.906 1.00 0.00 C
11
+ ATOM 10 O CYS A 2 5.494 50.918 6.524 1.00 0.00 O
12
+ ATOM 11 SG CYS A 2 8.098 52.105 8.554 1.00 0.00 S
13
+ ATOM 12 N ASP A 3 6.977 49.351 5.850 1.00 0.00 N
14
+ ATOM 13 CA ASP A 3 6.014 48.279 6.082 1.00 0.00 C
15
+ ATOM 14 C ASP A 3 6.186 47.679 7.476 1.00 0.00 C
16
+ ATOM 15 CB ASP A 3 6.158 47.190 5.018 1.00 0.00 C
17
+ ATOM 16 O ASP A 3 5.226 47.177 8.063 1.00 0.00 O
18
+ ATOM 17 CG ASP A 3 5.760 47.659 3.630 1.00 0.00 C
19
+ ATOM 18 OD1 ASP A 3 4.740 48.369 3.496 1.00 0.00 O
20
+ ATOM 19 OD2 ASP A 3 6.472 47.315 2.662 1.00 0.00 O
21
+ ATOM 20 N TYR A 4 7.435 47.679 8.019 1.00 0.00 N
22
+ ATOM 21 CA TYR A 4 7.781 47.163 9.339 1.00 0.00 C
23
+ ATOM 22 C TYR A 4 8.552 48.200 10.146 1.00 0.00 C
24
+ ATOM 23 CB TYR A 4 8.608 45.880 9.213 1.00 0.00 C
25
+ ATOM 24 O TYR A 4 9.596 48.688 9.706 1.00 0.00 O
26
+ ATOM 25 CG TYR A 4 7.899 44.770 8.476 1.00 0.00 C
27
+ ATOM 26 CD1 TYR A 4 7.138 43.826 9.163 1.00 0.00 C
28
+ ATOM 27 CD2 TYR A 4 7.988 44.660 7.093 1.00 0.00 C
29
+ ATOM 28 CE1 TYR A 4 6.484 42.801 8.489 1.00 0.00 C
30
+ ATOM 29 CE2 TYR A 4 7.338 43.639 6.408 1.00 0.00 C
31
+ ATOM 30 OH TYR A 4 5.943 41.702 6.441 1.00 0.00 O
32
+ ATOM 31 CZ TYR A 4 6.589 42.716 7.114 1.00 0.00 C
33
+ ATOM 32 N THR A 5 8.063 48.532 11.238 1.00 0.00 N
34
+ ATOM 33 CA THR A 5 8.739 49.463 12.134 1.00 0.00 C
35
+ ATOM 34 C THR A 5 9.344 48.725 13.325 1.00 0.00 C
36
+ ATOM 35 CB THR A 5 7.777 50.554 12.638 1.00 0.00 C
37
+ ATOM 36 O THR A 5 8.622 48.116 14.116 1.00 0.00 O
38
+ ATOM 37 CG2 THR A 5 8.508 51.577 13.500 1.00 0.00 C
39
+ ATOM 38 OG1 THR A 5 7.192 51.223 11.514 1.00 0.00 O
40
+ ATOM 39 N CYS A 6 10.574 48.691 13.441 1.00 0.00 N
41
+ ATOM 40 CA CYS A 6 11.357 48.118 14.529 1.00 0.00 C
42
+ ATOM 41 C CYS A 6 12.059 49.207 15.330 1.00 0.00 C
43
+ ATOM 42 CB CYS A 6 12.388 47.128 13.985 1.00 0.00 C
44
+ ATOM 43 O CYS A 6 13.170 49.616 14.988 1.00 0.00 O
45
+ ATOM 44 SG CYS A 6 11.670 45.807 12.984 1.00 0.00 S
46
+ ATOM 45 N GLY A 7 11.476 49.612 16.473 1.00 0.00 N
47
+ ATOM 46 CA GLY A 7 12.013 50.808 17.102 1.00 0.00 C
48
+ ATOM 47 C GLY A 7 12.059 52.004 16.169 1.00 0.00 C
49
+ ATOM 48 O GLY A 7 11.029 52.422 15.636 1.00 0.00 O
50
+ ATOM 49 N SER A 8 13.227 52.572 15.885 1.00 0.00 N
51
+ ATOM 50 CA SER A 8 13.382 53.725 15.004 1.00 0.00 C
52
+ ATOM 51 C SER A 8 13.676 53.290 13.571 1.00 0.00 C
53
+ ATOM 52 CB SER A 8 14.501 54.638 15.507 1.00 0.00 C
54
+ ATOM 53 O SER A 8 13.709 54.119 12.660 1.00 0.00 O
55
+ ATOM 54 OG SER A 8 15.727 53.932 15.591 1.00 0.00 O
56
+ ATOM 55 N ASN A 9 13.873 52.000 13.365 1.00 0.00 N
57
+ ATOM 56 CA ASN A 9 14.148 51.496 12.024 1.00 0.00 C
58
+ ATOM 57 C ASN A 9 12.859 51.197 11.262 1.00 0.00 C
59
+ ATOM 58 CB ASN A 9 15.027 50.245 12.091 1.00 0.00 C
60
+ ATOM 59 O ASN A 9 11.853 50.816 11.862 1.00 0.00 O
61
+ ATOM 60 CG ASN A 9 16.390 50.522 12.692 1.00 0.00 C
62
+ ATOM 61 ND2 ASN A 9 16.907 49.566 13.457 1.00 0.00 N
63
+ ATOM 62 OD1 ASN A 9 16.976 51.586 12.472 1.00 0.00 O
64
+ ATOM 63 N CYS A 10 12.910 51.408 10.010 1.00 0.00 N
65
+ ATOM 64 CA CYS A 10 11.805 51.112 9.105 1.00 0.00 C
66
+ ATOM 65 C CYS A 10 12.280 50.288 7.914 1.00 0.00 C
67
+ ATOM 66 CB CYS A 10 11.150 52.403 8.616 1.00 0.00 C
68
+ ATOM 67 O CYS A 10 13.289 50.620 7.288 1.00 0.00 O
69
+ ATOM 68 SG CYS A 10 9.824 52.139 7.420 1.00 0.00 S
70
+ ATOM 69 N TYR A 11 11.511 49.273 7.692 1.00 0.00 N
71
+ ATOM 70 CA TYR A 11 11.886 48.401 6.583 1.00 0.00 C
72
+ ATOM 71 C TYR A 11 10.737 48.252 5.594 1.00 0.00 C
73
+ ATOM 72 CB TYR A 11 12.310 47.024 7.103 1.00 0.00 C
74
+ ATOM 73 O TYR A 11 9.574 48.151 5.994 1.00 0.00 O
75
+ ATOM 74 CG TYR A 11 13.480 47.067 8.054 1.00 0.00 C
76
+ ATOM 75 CD1 TYR A 11 14.773 47.300 7.589 1.00 0.00 C
77
+ ATOM 76 CD2 TYR A 11 13.297 46.875 9.419 1.00 0.00 C
78
+ ATOM 77 CE1 TYR A 11 15.855 47.339 8.463 1.00 0.00 C
79
+ ATOM 78 CE2 TYR A 11 14.372 46.911 10.302 1.00 0.00 C
80
+ ATOM 79 OH TYR A 11 16.713 47.182 10.683 1.00 0.00 O
81
+ ATOM 80 CZ TYR A 11 15.645 47.145 9.814 1.00 0.00 C
82
+ ATOM 81 N SER A 12 11.053 48.244 4.357 1.00 0.00 N
83
+ ATOM 82 CA SER A 12 10.088 47.895 3.319 1.00 0.00 C
84
+ ATOM 83 C SER A 12 9.930 46.384 3.198 1.00 0.00 C
85
+ ATOM 84 CB SER A 12 10.514 48.481 1.972 1.00 0.00 C
86
+ ATOM 85 O SER A 12 10.785 45.626 3.660 1.00 0.00 O
87
+ ATOM 86 OG SER A 12 11.688 47.846 1.496 1.00 0.00 O
88
+ ATOM 87 N SER A 13 8.877 45.978 2.567 1.00 0.00 N
89
+ ATOM 88 CA SER A 13 8.693 44.558 2.288 1.00 0.00 C
90
+ ATOM 89 C SER A 13 9.837 44.008 1.441 1.00 0.00 C
91
+ ATOM 90 CB SER A 13 7.361 44.319 1.576 1.00 0.00 C
92
+ ATOM 91 O SER A 13 10.221 42.845 1.587 1.00 0.00 O
93
+ ATOM 92 OG SER A 13 6.273 44.702 2.400 1.00 0.00 O
94
+ ATOM 93 N SER A 14 10.340 44.815 0.590 1.00 0.00 N
95
+ ATOM 94 CA SER A 14 11.463 44.377 -0.233 1.00 0.00 C
96
+ ATOM 95 C SER A 14 12.718 44.170 0.608 1.00 0.00 C
97
+ ATOM 96 CB SER A 14 11.743 45.392 -1.342 1.00 0.00 C
98
+ ATOM 97 O SER A 14 13.489 43.239 0.365 1.00 0.00 O
99
+ ATOM 98 OG SER A 14 12.173 46.628 -0.795 1.00 0.00 O
100
+ ATOM 99 N ASP A 15 12.986 45.096 1.584 1.00 0.00 N
101
+ ATOM 100 CA ASP A 15 14.098 44.890 2.507 1.00 0.00 C
102
+ ATOM 101 C ASP A 15 13.963 43.558 3.241 1.00 0.00 C
103
+ ATOM 102 CB ASP A 15 14.180 46.040 3.514 1.00 0.00 C
104
+ ATOM 103 O ASP A 15 14.935 42.811 3.365 1.00 0.00 O
105
+ ATOM 104 CG ASP A 15 14.582 47.358 2.877 1.00 0.00 C
106
+ ATOM 105 OD1 ASP A 15 15.218 47.347 1.801 1.00 0.00 O
107
+ ATOM 106 OD2 ASP A 15 14.262 48.418 3.458 1.00 0.00 O
108
+ ATOM 107 N VAL A 16 12.791 43.236 3.688 1.00 0.00 N
109
+ ATOM 108 CA VAL A 16 12.515 42.022 4.448 1.00 0.00 C
110
+ ATOM 109 C VAL A 16 12.692 40.799 3.551 1.00 0.00 C
111
+ ATOM 110 CB VAL A 16 11.091 42.039 5.048 1.00 0.00 C
112
+ ATOM 111 O VAL A 16 13.333 39.821 3.944 1.00 0.00 O
113
+ ATOM 112 CG1 VAL A 16 10.725 40.667 5.609 1.00 0.00 C
114
+ ATOM 113 CG2 VAL A 16 10.984 43.109 6.134 1.00 0.00 C
115
+ ATOM 114 N SER A 17 12.256 40.872 2.327 1.00 0.00 N
116
+ ATOM 115 CA SER A 17 12.380 39.748 1.405 1.00 0.00 C
117
+ ATOM 116 C SER A 17 13.839 39.483 1.050 1.00 0.00 C
118
+ ATOM 117 CB SER A 17 11.576 40.008 0.130 1.00 0.00 C
119
+ ATOM 118 O SER A 17 14.250 38.329 0.911 1.00 0.00 O
120
+ ATOM 119 OG SER A 17 10.188 40.050 0.411 1.00 0.00 O
121
+ ATOM 120 N THR A 18 14.596 40.567 0.888 1.00 0.00 N
122
+ ATOM 121 CA THR A 18 16.015 40.427 0.582 1.00 0.00 C
123
+ ATOM 122 C THR A 18 16.748 39.727 1.724 1.00 0.00 C
124
+ ATOM 123 CB THR A 18 16.667 41.795 0.312 1.00 0.00 C
125
+ ATOM 124 O THR A 18 17.531 38.804 1.492 1.00 0.00 O
126
+ ATOM 125 CG2 THR A 18 18.171 41.656 0.102 1.00 0.00 C
127
+ ATOM 126 OG1 THR A 18 16.083 42.372 -0.863 1.00 0.00 O
128
+ ATOM 127 N ALA A 19 16.528 40.201 2.912 1.00 0.00 N
129
+ ATOM 128 CA ALA A 19 17.138 39.563 4.076 1.00 0.00 C
130
+ ATOM 129 C ALA A 19 16.684 38.112 4.207 1.00 0.00 C
131
+ ATOM 130 CB ALA A 19 16.803 40.340 5.346 1.00 0.00 C
132
+ ATOM 131 O ALA A 19 17.505 37.214 4.409 1.00 0.00 O
133
+ ATOM 132 N GLN A 20 15.375 37.861 4.026 1.00 0.00 N
134
+ ATOM 133 CA GLN A 20 14.835 36.509 4.118 1.00 0.00 C
135
+ ATOM 134 C GLN A 20 15.511 35.577 3.116 1.00 0.00 C
136
+ ATOM 135 CB GLN A 20 13.323 36.517 3.889 1.00 0.00 C
137
+ ATOM 136 O GLN A 20 15.913 34.465 3.467 1.00 0.00 O
138
+ ATOM 137 CG GLN A 20 12.670 35.150 4.041 1.00 0.00 C
139
+ ATOM 138 CD GLN A 20 11.218 35.141 3.601 1.00 0.00 C
140
+ ATOM 139 NE2 GLN A 20 10.649 33.949 3.458 1.00 0.00 N
141
+ ATOM 140 OE1 GLN A 20 10.612 36.197 3.394 1.00 0.00 O
142
+ ATOM 141 N ALA A 21 15.628 36.040 1.929 1.00 0.00 N
143
+ ATOM 142 CA ALA A 21 16.229 35.224 0.878 1.00 0.00 C
144
+ ATOM 143 C ALA A 21 17.681 34.887 1.207 1.00 0.00 C
145
+ ATOM 144 CB ALA A 21 16.145 35.942 -0.467 1.00 0.00 C
146
+ ATOM 145 O ALA A 21 18.130 33.761 0.981 1.00 0.00 O
147
+ ATOM 146 N ALA A 22 18.455 35.850 1.741 1.00 0.00 N
148
+ ATOM 147 CA ALA A 22 19.851 35.622 2.108 1.00 0.00 C
149
+ ATOM 148 C ALA A 22 19.965 34.564 3.201 1.00 0.00 C
150
+ ATOM 149 CB ALA A 22 20.501 36.925 2.564 1.00 0.00 C
151
+ ATOM 150 O ALA A 22 20.785 33.649 3.105 1.00 0.00 O
152
+ ATOM 151 N GLY A 23 19.141 34.716 4.262 1.00 0.00 N
153
+ ATOM 152 CA GLY A 23 19.156 33.738 5.337 1.00 0.00 C
154
+ ATOM 153 C GLY A 23 18.727 32.353 4.890 1.00 0.00 C
155
+ ATOM 154 O GLY A 23 19.342 31.354 5.267 1.00 0.00 O
156
+ ATOM 155 N TYR A 24 17.679 32.307 4.060 1.00 0.00 N
157
+ ATOM 156 CA TYR A 24 17.171 31.017 3.610 1.00 0.00 C
158
+ ATOM 157 C TYR A 24 18.191 30.307 2.728 1.00 0.00 C
159
+ ATOM 158 CB TYR A 24 15.855 31.193 2.847 1.00 0.00 C
160
+ ATOM 159 O TYR A 24 18.317 29.080 2.778 1.00 0.00 O
161
+ ATOM 160 CG TYR A 24 15.246 29.893 2.377 1.00 0.00 C
162
+ ATOM 161 CD1 TYR A 24 14.682 28.999 3.284 1.00 0.00 C
163
+ ATOM 162 CD2 TYR A 24 15.236 29.557 1.028 1.00 0.00 C
164
+ ATOM 163 CE1 TYR A 24 14.123 27.799 2.856 1.00 0.00 C
165
+ ATOM 164 CE2 TYR A 24 14.678 28.361 0.589 1.00 0.00 C
166
+ ATOM 165 OH TYR A 24 13.572 26.303 1.080 1.00 0.00 O
167
+ ATOM 166 CZ TYR A 24 14.125 27.489 1.509 1.00 0.00 C
168
+ ATOM 167 N LYS A 25 18.918 31.083 1.849 1.00 0.00 N
169
+ ATOM 168 CA LYS A 25 19.959 30.485 1.016 1.00 0.00 C
170
+ ATOM 169 C LYS A 25 20.999 29.764 1.868 1.00 0.00 C
171
+ ATOM 170 CB LYS A 25 20.636 31.552 0.154 1.00 0.00 C
172
+ ATOM 171 O LYS A 25 21.385 28.634 1.562 1.00 0.00 O
173
+ ATOM 172 CG LYS A 25 21.781 31.024 -0.696 1.00 0.00 C
174
+ ATOM 173 CD LYS A 25 21.290 30.034 -1.745 1.00 0.00 C
175
+ ATOM 174 CE LYS A 25 22.335 29.796 -2.825 1.00 0.00 C
176
+ ATOM 175 NZ LYS A 25 23.348 28.783 -2.404 1.00 0.00 N
177
+ ATOM 176 N LEU A 26 21.459 30.395 2.936 1.00 0.00 N
178
+ ATOM 177 CA LEU A 26 22.438 29.754 3.808 1.00 0.00 C
179
+ ATOM 178 C LEU A 26 21.834 28.539 4.503 1.00 0.00 C
180
+ ATOM 179 CB LEU A 26 22.959 30.747 4.850 1.00 0.00 C
181
+ ATOM 180 O LEU A 26 22.505 27.520 4.678 1.00 0.00 O
182
+ ATOM 181 CG LEU A 26 23.951 31.798 4.348 1.00 0.00 C
183
+ ATOM 182 CD1 LEU A 26 24.277 32.792 5.459 1.00 0.00 C
184
+ ATOM 183 CD2 LEU A 26 25.221 31.132 3.830 1.00 0.00 C
185
+ ATOM 184 N HIS A 27 20.549 28.671 4.878 1.00 0.00 N
186
+ ATOM 185 CA HIS A 27 19.867 27.539 5.496 1.00 0.00 C
187
+ ATOM 186 C HIS A 27 19.835 26.337 4.557 1.00 0.00 C
188
+ ATOM 187 CB HIS A 27 18.445 27.926 5.901 1.00 0.00 C
189
+ ATOM 188 O HIS A 27 20.153 25.218 4.964 1.00 0.00 O
190
+ ATOM 189 CG HIS A 27 17.615 26.769 6.358 1.00 0.00 C
191
+ ATOM 190 CD2 HIS A 27 16.531 26.180 5.802 1.00 0.00 C
192
+ ATOM 191 ND1 HIS A 27 17.871 26.084 7.525 1.00 0.00 N
193
+ ATOM 192 CE1 HIS A 27 16.977 25.119 7.668 1.00 0.00 C
194
+ ATOM 193 NE2 HIS A 27 16.152 25.156 6.636 1.00 0.00 N
195
+ ATOM 194 N GLU A 28 19.504 26.562 3.341 1.00 0.00 N
196
+ ATOM 195 CA GLU A 28 19.417 25.493 2.351 1.00 0.00 C
197
+ ATOM 196 C GLU A 28 20.781 24.851 2.111 1.00 0.00 C
198
+ ATOM 197 CB GLU A 28 18.849 26.027 1.033 1.00 0.00 C
199
+ ATOM 198 O GLU A 28 20.872 23.641 1.888 1.00 0.00 O
200
+ ATOM 199 CG GLU A 28 17.346 26.269 1.065 1.00 0.00 C
201
+ ATOM 200 CD GLU A 28 16.743 26.478 -0.315 1.00 0.00 C
202
+ ATOM 201 OE1 GLU A 28 17.091 27.477 -0.985 1.00 0.00 O
203
+ ATOM 202 OE2 GLU A 28 15.915 25.636 -0.729 1.00 0.00 O
204
+ ATOM 203 N ASP A 29 21.849 25.669 2.205 1.00 0.00 N
205
+ ATOM 204 CA ASP A 29 23.206 25.195 1.953 1.00 0.00 C
206
+ ATOM 205 C ASP A 29 23.811 24.567 3.206 1.00 0.00 C
207
+ ATOM 206 CB ASP A 29 24.092 26.340 1.458 1.00 0.00 C
208
+ ATOM 207 O ASP A 29 24.908 24.006 3.158 1.00 0.00 O
209
+ ATOM 208 CG ASP A 29 23.723 26.817 0.064 1.00 0.00 C
210
+ ATOM 209 OD1 ASP A 29 23.066 26.062 -0.684 1.00 0.00 O
211
+ ATOM 210 OD2 ASP A 29 24.095 27.956 -0.289 1.00 0.00 O
212
+ ATOM 211 N GLY A 30 23.064 24.650 4.280 1.00 0.00 N
213
+ ATOM 212 CA GLY A 30 23.620 24.136 5.521 1.00 0.00 C
214
+ ATOM 213 C GLY A 30 24.794 24.950 6.031 1.00 0.00 C
215
+ ATOM 214 O GLY A 30 25.697 24.411 6.674 1.00 0.00 O
216
+ ATOM 215 N GLU A 31 24.841 26.180 5.737 1.00 0.00 N
217
+ ATOM 216 CA GLU A 31 25.915 27.091 6.121 1.00 0.00 C
218
+ ATOM 217 C GLU A 31 25.411 28.165 7.080 1.00 0.00 C
219
+ ATOM 218 CB GLU A 31 26.537 27.741 4.882 1.00 0.00 C
220
+ ATOM 219 O GLU A 31 24.216 28.464 7.113 1.00 0.00 O
221
+ ATOM 220 CG GLU A 31 27.244 26.758 3.960 1.00 0.00 C
222
+ ATOM 221 CD GLU A 31 27.910 27.426 2.769 1.00 0.00 C
223
+ ATOM 222 OE1 GLU A 31 27.634 28.619 2.508 1.00 0.00 O
224
+ ATOM 223 OE2 GLU A 31 28.716 26.751 2.089 1.00 0.00 O
225
+ ATOM 224 N THR A 32 26.271 28.691 7.795 1.00 0.00 N
226
+ ATOM 225 CA THR A 32 26.004 29.806 8.697 1.00 0.00 C
227
+ ATOM 226 C THR A 32 27.135 30.828 8.643 1.00 0.00 C
228
+ ATOM 227 CB THR A 32 25.815 29.319 10.145 1.00 0.00 C
229
+ ATOM 228 O THR A 32 28.232 30.524 8.171 1.00 0.00 O
230
+ ATOM 229 CG2 THR A 32 24.756 28.225 10.225 1.00 0.00 C
231
+ ATOM 230 OG1 THR A 32 27.058 28.801 10.635 1.00 0.00 O
232
+ ATOM 231 N VAL A 33 26.810 32.055 9.048 1.00 0.00 N
233
+ ATOM 232 CA VAL A 33 27.809 33.115 9.118 1.00 0.00 C
234
+ ATOM 233 C VAL A 33 27.692 33.849 10.453 1.00 0.00 C
235
+ ATOM 234 CB VAL A 33 27.663 34.112 7.947 1.00 0.00 C
236
+ ATOM 235 O VAL A 33 26.622 33.867 11.066 1.00 0.00 O
237
+ ATOM 236 CG1 VAL A 33 27.882 33.410 6.609 1.00 0.00 C
238
+ ATOM 237 CG2 VAL A 33 26.289 34.780 7.985 1.00 0.00 C
239
+ ATOM 238 N GLY A 34 28.793 34.444 10.871 1.00 0.00 N
240
+ ATOM 239 CA GLY A 34 28.837 35.246 12.083 1.00 0.00 C
241
+ ATOM 240 C GLY A 34 29.051 34.422 13.337 1.00 0.00 C
242
+ ATOM 241 O GLY A 34 28.866 33.203 13.325 1.00 0.00 O
243
+ ATOM 242 N SER A 35 29.374 35.032 14.394 1.00 0.00 N
244
+ ATOM 243 CA SER A 35 29.752 34.388 15.648 1.00 0.00 C
245
+ ATOM 244 C SER A 35 28.561 33.678 16.285 1.00 0.00 C
246
+ ATOM 245 CB SER A 35 30.327 35.413 16.625 1.00 0.00 C
247
+ ATOM 246 O SER A 35 28.736 32.745 17.070 1.00 0.00 O
248
+ ATOM 247 OG SER A 35 29.393 36.449 16.878 1.00 0.00 O
249
+ ATOM 248 N ASN A 36 27.364 34.076 15.910 1.00 0.00 N
250
+ ATOM 249 CA ASN A 36 26.174 33.443 16.467 1.00 0.00 C
251
+ ATOM 250 C ASN A 36 25.590 32.408 15.511 1.00 0.00 C
252
+ ATOM 251 CB ASN A 36 25.121 34.496 16.819 1.00 0.00 C
253
+ ATOM 252 O ASN A 36 24.440 31.994 15.667 1.00 0.00 O
254
+ ATOM 253 CG ASN A 36 25.509 35.330 18.025 1.00 0.00 C
255
+ ATOM 254 ND2 ASN A 36 25.032 36.568 18.068 1.00 0.00 N
256
+ ATOM 255 OD1 ASN A 36 26.232 34.865 18.910 1.00 0.00 O
257
+ ATOM 256 N SER A 37 26.347 32.140 14.405 1.00 0.00 N
258
+ ATOM 257 CA SER A 37 26.013 31.082 13.457 1.00 0.00 C
259
+ ATOM 258 C SER A 37 24.627 31.294 12.859 1.00 0.00 C
260
+ ATOM 259 CB SER A 37 26.082 29.713 14.134 1.00 0.00 C
261
+ ATOM 260 O SER A 37 23.786 30.393 12.892 1.00 0.00 O
262
+ ATOM 261 OG SER A 37 27.379 29.473 14.653 1.00 0.00 O
263
+ ATOM 262 N TYR A 38 24.312 32.515 12.282 1.00 0.00 N
264
+ ATOM 263 CA TYR A 38 23.064 32.789 11.578 1.00 0.00 C
265
+ ATOM 264 C TYR A 38 23.048 32.114 10.212 1.00 0.00 C
266
+ ATOM 265 CB TYR A 38 22.858 34.298 11.416 1.00 0.00 C
267
+ ATOM 266 O TYR A 38 24.070 32.069 9.523 1.00 0.00 O
268
+ ATOM 267 CG TYR A 38 22.483 35.001 12.699 1.00 0.00 C
269
+ ATOM 268 CD1 TYR A 38 21.189 34.919 13.208 1.00 0.00 C
270
+ ATOM 269 CD2 TYR A 38 23.421 35.748 13.404 1.00 0.00 C
271
+ ATOM 270 CE1 TYR A 38 20.839 35.566 14.389 1.00 0.00 C
272
+ ATOM 271 CE2 TYR A 38 23.082 36.399 14.585 1.00 0.00 C
273
+ ATOM 272 OH TYR A 38 21.448 36.944 16.239 1.00 0.00 O
274
+ ATOM 273 CZ TYR A 38 21.791 36.302 15.069 1.00 0.00 C
275
+ ATOM 274 N PRO A 39 21.977 31.761 9.665 1.00 0.00 N
276
+ ATOM 275 CA PRO A 39 20.711 31.593 10.384 1.00 0.00 C
277
+ ATOM 276 C PRO A 39 20.733 30.408 11.346 1.00 0.00 C
278
+ ATOM 277 CB PRO A 39 19.696 31.365 9.261 1.00 0.00 C
279
+ ATOM 278 O PRO A 39 21.474 29.444 11.129 1.00 0.00 O
280
+ ATOM 279 CG PRO A 39 20.464 30.666 8.187 1.00 0.00 C
281
+ ATOM 280 CD PRO A 39 21.872 31.190 8.188 1.00 0.00 C
282
+ ATOM 281 N HIS A 40 20.112 30.470 12.425 1.00 0.00 N
283
+ ATOM 282 CA HIS A 40 19.900 29.367 13.356 1.00 0.00 C
284
+ ATOM 283 C HIS A 40 18.444 29.291 13.798 1.00 0.00 C
285
+ ATOM 284 CB HIS A 40 20.813 29.514 14.575 1.00 0.00 C
286
+ ATOM 285 O HIS A 40 17.681 30.240 13.603 1.00 0.00 O
287
+ ATOM 286 CG HIS A 40 20.605 30.787 15.331 1.00 0.00 C
288
+ ATOM 287 CD2 HIS A 40 19.687 31.125 16.268 1.00 0.00 C
289
+ ATOM 288 ND1 HIS A 40 21.400 31.898 15.151 1.00 0.00 N
290
+ ATOM 289 CE1 HIS A 40 20.980 32.867 15.948 1.00 0.00 C
291
+ ATOM 290 NE2 HIS A 40 19.942 32.423 16.636 1.00 0.00 N
292
+ ATOM 291 N LYS A 41 18.072 28.194 14.311 1.00 0.00 N
293
+ ATOM 292 CA LYS A 41 16.695 27.930 14.720 1.00 0.00 C
294
+ ATOM 293 C LYS A 41 16.206 28.980 15.714 1.00 0.00 C
295
+ ATOM 294 CB LYS A 41 16.576 26.534 15.334 1.00 0.00 C
296
+ ATOM 295 O LYS A 41 16.931 29.354 16.637 1.00 0.00 O
297
+ ATOM 296 CG LYS A 41 15.142 26.046 15.488 1.00 0.00 C
298
+ ATOM 297 CD LYS A 41 15.092 24.587 15.923 1.00 0.00 C
299
+ ATOM 298 CE LYS A 41 13.659 24.106 16.103 1.00 0.00 C
300
+ ATOM 299 NZ LYS A 41 13.601 22.655 16.454 1.00 0.00 N
301
+ ATOM 300 N TYR A 42 15.020 29.498 15.561 1.00 0.00 N
302
+ ATOM 301 CA TYR A 42 14.271 30.363 16.466 1.00 0.00 C
303
+ ATOM 302 C TYR A 42 13.105 29.611 17.097 1.00 0.00 C
304
+ ATOM 303 CB TYR A 42 13.754 31.599 15.723 1.00 0.00 C
305
+ ATOM 304 O TYR A 42 12.210 29.138 16.394 1.00 0.00 O
306
+ ATOM 305 CG TYR A 42 12.948 32.535 16.591 1.00 0.00 C
307
+ ATOM 306 CD1 TYR A 42 13.537 33.208 17.658 1.00 0.00 C
308
+ ATOM 307 CD2 TYR A 42 11.596 32.747 16.346 1.00 0.00 C
309
+ ATOM 308 CE1 TYR A 42 12.798 34.070 18.462 1.00 0.00 C
310
+ ATOM 309 CE2 TYR A 42 10.846 33.606 17.142 1.00 0.00 C
311
+ ATOM 310 OH TYR A 42 10.718 35.114 18.989 1.00 0.00 O
312
+ ATOM 311 CZ TYR A 42 11.455 34.263 18.196 1.00 0.00 C
313
+ ATOM 312 N ASN A 43 13.077 29.583 18.420 1.00 0.00 N
314
+ ATOM 313 CA ASN A 43 12.162 28.689 19.121 1.00 0.00 C
315
+ ATOM 314 C ASN A 43 10.886 29.412 19.543 1.00 0.00 C
316
+ ATOM 315 CB ASN A 43 12.847 28.066 20.339 1.00 0.00 C
317
+ ATOM 316 O ASN A 43 9.989 28.805 20.131 1.00 0.00 O
318
+ ATOM 317 CG ASN A 43 13.942 27.089 19.958 1.00 0.00 C
319
+ ATOM 318 ND2 ASN A 43 15.083 27.185 20.630 1.00 0.00 N
320
+ ATOM 319 OD1 ASN A 43 13.762 26.255 19.066 1.00 0.00 O
321
+ ATOM 320 N ASN A 44 10.899 30.732 19.294 1.00 0.00 N
322
+ ATOM 321 CA ASN A 44 9.713 31.529 19.589 1.00 0.00 C
323
+ ATOM 322 C ASN A 44 9.323 31.432 21.061 1.00 0.00 C
324
+ ATOM 323 CB ASN A 44 8.542 31.100 18.702 1.00 0.00 C
325
+ ATOM 324 O ASN A 44 8.158 31.199 21.386 1.00 0.00 O
326
+ ATOM 325 CG ASN A 44 7.362 32.047 18.791 1.00 0.00 C
327
+ ATOM 326 ND2 ASN A 44 6.165 31.529 18.537 1.00 0.00 N
328
+ ATOM 327 OD1 ASN A 44 7.525 33.234 19.086 1.00 0.00 O
329
+ ATOM 328 N TYR A 45 10.176 31.557 22.031 1.00 0.00 N
330
+ ATOM 329 CA TYR A 45 9.916 31.475 23.464 1.00 0.00 C
331
+ ATOM 330 C TYR A 45 9.006 32.611 23.917 1.00 0.00 C
332
+ ATOM 331 CB TYR A 45 11.229 31.512 24.251 1.00 0.00 C
333
+ ATOM 332 O TYR A 45 8.368 32.520 24.970 1.00 0.00 O
334
+ ATOM 333 CG TYR A 45 12.102 30.300 24.032 1.00 0.00 C
335
+ ATOM 334 CD1 TYR A 45 11.640 29.021 24.333 1.00 0.00 C
336
+ ATOM 335 CD2 TYR A 45 13.391 30.432 23.525 1.00 0.00 C
337
+ ATOM 336 CE1 TYR A 45 12.441 27.902 24.135 1.00 0.00 C
338
+ ATOM 337 CE2 TYR A 45 14.201 29.319 23.324 1.00 0.00 C
339
+ ATOM 338 OH TYR A 45 14.516 26.955 23.434 1.00 0.00 O
340
+ ATOM 339 CZ TYR A 45 13.718 28.060 23.631 1.00 0.00 C
341
+ ATOM 340 N GLU A 46 8.913 33.742 23.208 1.00 0.00 N
342
+ ATOM 341 CA GLU A 46 8.015 34.852 23.508 1.00 0.00 C
343
+ ATOM 342 C GLU A 46 6.567 34.495 23.182 1.00 0.00 C
344
+ ATOM 343 CB GLU A 46 8.432 36.107 22.736 1.00 0.00 C
345
+ ATOM 344 O GLU A 46 5.641 35.197 23.590 1.00 0.00 O
346
+ ATOM 345 CG GLU A 46 9.735 36.724 23.225 1.00 0.00 C
347
+ ATOM 346 CD GLU A 46 10.971 36.028 22.677 1.00 0.00 C
348
+ ATOM 347 OE1 GLU A 46 10.833 35.148 21.799 1.00 0.00 O
349
+ ATOM 348 OE2 GLU A 46 12.087 36.367 23.132 1.00 0.00 O
350
+ ATOM 349 N GLY A 47 6.365 33.418 22.359 1.00 0.00 N
351
+ ATOM 350 CA GLY A 47 5.016 32.953 22.081 1.00 0.00 C
352
+ ATOM 351 C GLY A 47 4.318 33.755 21.000 1.00 0.00 C
353
+ ATOM 352 O GLY A 47 3.099 33.936 21.041 1.00 0.00 O
354
+ ATOM 353 N PHE A 48 5.070 34.261 20.004 1.00 0.00 N
355
+ ATOM 354 CA PHE A 48 4.456 35.016 18.918 1.00 0.00 C
356
+ ATOM 355 C PHE A 48 3.514 34.132 18.109 1.00 0.00 C
357
+ ATOM 356 CB PHE A 48 5.529 35.614 18.004 1.00 0.00 C
358
+ ATOM 357 O PHE A 48 3.805 32.957 17.875 1.00 0.00 O
359
+ ATOM 358 CG PHE A 48 6.451 36.578 18.700 1.00 0.00 C
360
+ ATOM 359 CD1 PHE A 48 5.941 37.609 19.480 1.00 0.00 C
361
+ ATOM 360 CD2 PHE A 48 7.828 36.454 18.575 1.00 0.00 C
362
+ ATOM 361 CE1 PHE A 48 6.791 38.503 20.125 1.00 0.00 C
363
+ ATOM 362 CE2 PHE A 48 8.685 37.344 19.217 1.00 0.00 C
364
+ ATOM 363 CZ PHE A 48 8.164 38.368 19.991 1.00 0.00 C
365
+ ATOM 364 N ASP A 49 2.401 34.653 17.716 1.00 0.00 N
366
+ ATOM 365 CA ASP A 49 1.430 33.954 16.878 1.00 0.00 C
367
+ ATOM 366 C ASP A 49 1.730 34.168 15.396 1.00 0.00 C
368
+ ATOM 367 CB ASP A 49 0.010 34.422 17.200 1.00 0.00 C
369
+ ATOM 368 O ASP A 49 1.093 34.995 14.742 1.00 0.00 O
370
+ ATOM 369 CG ASP A 49 -1.059 33.559 16.552 1.00 0.00 C
371
+ ATOM 370 OD1 ASP A 49 -0.746 32.438 16.099 1.00 0.00 O
372
+ ATOM 371 OD2 ASP A 49 -2.224 34.008 16.490 1.00 0.00 O
373
+ ATOM 372 N PHE A 50 2.633 33.415 14.819 1.00 0.00 N
374
+ ATOM 373 CA PHE A 50 3.018 33.493 13.415 1.00 0.00 C
375
+ ATOM 374 C PHE A 50 2.018 32.750 12.537 1.00 0.00 C
376
+ ATOM 375 CB PHE A 50 4.424 32.921 13.210 1.00 0.00 C
377
+ ATOM 376 O PHE A 50 1.428 31.755 12.964 1.00 0.00 O
378
+ ATOM 377 CG PHE A 50 5.508 33.717 13.885 1.00 0.00 C
379
+ ATOM 378 CD1 PHE A 50 5.519 35.104 13.811 1.00 0.00 C
380
+ ATOM 379 CD2 PHE A 50 6.516 33.076 14.594 1.00 0.00 C
381
+ ATOM 380 CE1 PHE A 50 6.523 35.843 14.436 1.00 0.00 C
382
+ ATOM 381 CE2 PHE A 50 7.521 33.808 15.221 1.00 0.00 C
383
+ ATOM 382 CZ PHE A 50 7.522 35.191 15.139 1.00 0.00 C
384
+ ATOM 383 N SER A 51 1.854 33.213 11.334 1.00 0.00 N
385
+ ATOM 384 CA SER A 51 0.845 32.675 10.427 1.00 0.00 C
386
+ ATOM 385 C SER A 51 1.364 31.446 9.687 1.00 0.00 C
387
+ ATOM 386 CB SER A 51 0.407 33.740 9.420 1.00 0.00 C
388
+ ATOM 387 O SER A 51 0.643 30.848 8.885 1.00 0.00 O
389
+ ATOM 388 OG SER A 51 1.508 34.183 8.646 1.00 0.00 O
390
+ ATOM 389 N VAL A 52 2.635 31.126 9.903 1.00 0.00 N
391
+ ATOM 390 CA VAL A 52 3.239 29.935 9.315 1.00 0.00 C
392
+ ATOM 391 C VAL A 52 3.738 29.009 10.421 1.00 0.00 C
393
+ ATOM 392 CB VAL A 52 4.398 30.299 8.361 1.00 0.00 C
394
+ ATOM 393 O VAL A 52 3.892 29.430 11.570 1.00 0.00 O
395
+ ATOM 394 CG1 VAL A 52 3.899 31.172 7.211 1.00 0.00 C
396
+ ATOM 395 CG2 VAL A 52 5.516 31.006 9.126 1.00 0.00 C
397
+ ATOM 396 N SER A 53 3.965 27.817 10.070 1.00 0.00 N
398
+ ATOM 397 CA SER A 53 4.296 26.801 11.064 1.00 0.00 C
399
+ ATOM 398 C SER A 53 5.802 26.711 11.282 1.00 0.00 C
400
+ ATOM 399 CB SER A 53 3.751 25.437 10.638 1.00 0.00 C
401
+ ATOM 400 O SER A 53 6.585 27.083 10.404 1.00 0.00 O
402
+ ATOM 401 OG SER A 53 4.286 25.051 9.384 1.00 0.00 O
403
+ ATOM 402 N SER A 54 6.261 26.406 12.418 1.00 0.00 N
404
+ ATOM 403 CA SER A 54 7.652 26.077 12.709 1.00 0.00 C
405
+ ATOM 404 C SER A 54 8.138 24.916 11.850 1.00 0.00 C
406
+ ATOM 405 CB SER A 54 7.822 25.732 14.190 1.00 0.00 C
407
+ ATOM 406 O SER A 54 7.335 24.225 11.219 1.00 0.00 O
408
+ ATOM 407 OG SER A 54 7.164 24.516 14.501 1.00 0.00 O
409
+ ATOM 408 N PRO A 55 9.456 24.479 11.927 1.00 0.00 N
410
+ ATOM 409 CA PRO A 55 10.509 25.199 12.647 1.00 0.00 C
411
+ ATOM 410 C PRO A 55 10.829 26.556 12.023 1.00 0.00 C
412
+ ATOM 411 CB PRO A 55 11.711 24.256 12.548 1.00 0.00 C
413
+ ATOM 412 O PRO A 55 10.721 26.720 10.805 1.00 0.00 O
414
+ ATOM 413 CG PRO A 55 11.530 23.540 11.249 1.00 0.00 C
415
+ ATOM 414 CD PRO A 55 10.060 23.344 11.013 1.00 0.00 C
416
+ ATOM 415 N TYR A 56 11.157 27.501 12.874 1.00 0.00 N
417
+ ATOM 416 CA TYR A 56 11.526 28.850 12.457 1.00 0.00 C
418
+ ATOM 417 C TYR A 56 13.036 29.044 12.514 1.00 0.00 C
419
+ ATOM 418 CB TYR A 56 10.831 29.893 13.338 1.00 0.00 C
420
+ ATOM 419 O TYR A 56 13.718 28.425 13.334 1.00 0.00 O
421
+ ATOM 420 CG TYR A 56 9.335 29.711 13.429 1.00 0.00 C
422
+ ATOM 421 CD1 TYR A 56 8.533 29.795 12.293 1.00 0.00 C
423
+ ATOM 422 CD2 TYR A 56 8.721 29.456 14.651 1.00 0.00 C
424
+ ATOM 423 CE1 TYR A 56 7.154 29.631 12.373 1.00 0.00 C
425
+ ATOM 424 CE2 TYR A 56 7.344 29.289 14.743 1.00 0.00 C
426
+ ATOM 425 OH TYR A 56 5.205 29.213 13.685 1.00 0.00 O
427
+ ATOM 426 CZ TYR A 56 6.569 29.378 13.600 1.00 0.00 C
428
+ ATOM 427 N TYR A 57 13.467 29.886 11.736 1.00 0.00 N
429
+ ATOM 428 CA TYR A 57 14.852 30.345 11.714 1.00 0.00 C
430
+ ATOM 429 C TYR A 57 14.921 31.867 11.700 1.00 0.00 C
431
+ ATOM 430 CB TYR A 57 15.587 29.776 10.496 1.00 0.00 C
432
+ ATOM 431 O TYR A 57 14.040 32.529 11.149 1.00 0.00 O
433
+ ATOM 432 CG TYR A 57 15.566 28.269 10.423 1.00 0.00 C
434
+ ATOM 433 CD1 TYR A 57 16.614 27.512 10.942 1.00 0.00 C
435
+ ATOM 434 CD2 TYR A 57 14.500 27.600 9.833 1.00 0.00 C
436
+ ATOM 435 CE1 TYR A 57 16.599 26.123 10.875 1.00 0.00 C
437
+ ATOM 436 CE2 TYR A 57 14.475 26.210 9.759 1.00 0.00 C
438
+ ATOM 437 OH TYR A 57 15.507 24.107 10.213 1.00 0.00 O
439
+ ATOM 438 CZ TYR A 57 15.527 25.482 10.283 1.00 0.00 C
440
+ ATOM 439 N GLU A 58 15.914 32.403 12.249 1.00 0.00 N
441
+ ATOM 440 CA GLU A 58 16.041 33.857 12.261 1.00 0.00 C
442
+ ATOM 441 C GLU A 58 17.320 34.306 11.560 1.00 0.00 C
443
+ ATOM 442 CB GLU A 58 16.014 34.388 13.697 1.00 0.00 C
444
+ ATOM 443 O GLU A 58 18.320 33.584 11.561 1.00 0.00 O
445
+ ATOM 444 CG GLU A 58 17.211 33.959 14.534 1.00 0.00 C
446
+ ATOM 445 CD GLU A 58 17.249 34.613 15.905 1.00 0.00 C
447
+ ATOM 446 OE1 GLU A 58 16.179 35.019 16.415 1.00 0.00 O
448
+ ATOM 447 OE2 GLU A 58 18.357 34.721 16.476 1.00 0.00 O
449
+ ATOM 448 N TRP A 59 17.279 35.473 10.955 1.00 0.00 N
450
+ ATOM 449 CA TRP A 59 18.333 36.133 10.192 1.00 0.00 C
451
+ ATOM 450 C TRP A 59 18.328 37.636 10.443 1.00 0.00 C
452
+ ATOM 451 CB TRP A 59 18.170 35.852 8.694 1.00 0.00 C
453
+ ATOM 452 O TRP A 59 17.268 38.268 10.446 1.00 0.00 O
454
+ ATOM 453 CG TRP A 59 19.274 36.409 7.846 1.00 0.00 C
455
+ ATOM 454 CD1 TRP A 59 19.249 37.563 7.115 1.00 0.00 C
456
+ ATOM 455 CD2 TRP A 59 20.566 35.830 7.639 1.00 0.00 C
457
+ ATOM 456 CE2 TRP A 59 21.274 36.688 6.769 1.00 0.00 C
458
+ ATOM 457 CE3 TRP A 59 21.195 34.667 8.105 1.00 0.00 C
459
+ ATOM 458 NE1 TRP A 59 20.449 37.738 6.465 1.00 0.00 N
460
+ ATOM 459 CH2 TRP A 59 23.173 35.277 6.827 1.00 0.00 C
461
+ ATOM 460 CZ2 TRP A 59 22.581 36.421 6.356 1.00 0.00 C
462
+ ATOM 461 CZ3 TRP A 59 22.496 34.402 7.692 1.00 0.00 C
463
+ ATOM 462 N PRO A 60 19.501 38.197 10.655 1.00 0.00 N
464
+ ATOM 463 CA PRO A 60 19.544 39.638 10.907 1.00 0.00 C
465
+ ATOM 464 C PRO A 60 19.094 40.462 9.701 1.00 0.00 C
466
+ ATOM 465 CB PRO A 60 21.020 39.897 11.224 1.00 0.00 C
467
+ ATOM 466 O PRO A 60 19.410 40.114 8.560 1.00 0.00 O
468
+ ATOM 467 CG PRO A 60 21.547 38.578 11.688 1.00 0.00 C
469
+ ATOM 468 CD PRO A 60 20.889 37.493 10.884 1.00 0.00 C
470
+ ATOM 469 N ILE A 61 18.380 41.474 9.876 1.00 0.00 N
471
+ ATOM 470 CA ILE A 61 18.118 42.520 8.894 1.00 0.00 C
472
+ ATOM 471 C ILE A 61 18.713 43.840 9.375 1.00 0.00 C
473
+ ATOM 472 CB ILE A 61 16.604 42.680 8.628 1.00 0.00 C
474
+ ATOM 473 O ILE A 61 18.453 44.273 10.500 1.00 0.00 O
475
+ ATOM 474 CG1 ILE A 61 16.362 43.723 7.530 1.00 0.00 C
476
+ ATOM 475 CG2 ILE A 61 15.867 43.058 9.915 1.00 0.00 C
477
+ ATOM 476 CD1 ILE A 61 14.952 43.701 6.956 1.00 0.00 C
478
+ ATOM 477 N LEU A 62 19.525 44.441 8.546 1.00 0.00 N
479
+ ATOM 478 CA LEU A 62 20.343 45.586 8.932 1.00 0.00 C
480
+ ATOM 479 C LEU A 62 19.721 46.889 8.441 1.00 0.00 C
481
+ ATOM 480 CB LEU A 62 21.761 45.443 8.374 1.00 0.00 C
482
+ ATOM 481 O LEU A 62 19.241 46.964 7.308 1.00 0.00 O
483
+ ATOM 482 CG LEU A 62 22.495 44.144 8.711 1.00 0.00 C
484
+ ATOM 483 CD1 LEU A 62 23.881 44.136 8.073 1.00 0.00 C
485
+ ATOM 484 CD2 LEU A 62 22.594 43.961 10.221 1.00 0.00 C
486
+ ATOM 485 N SER A 63 19.756 47.846 9.346 1.00 0.00 N
487
+ ATOM 486 CA SER A 63 19.177 49.145 9.020 1.00 0.00 C
488
+ ATOM 487 C SER A 63 19.933 49.817 7.879 1.00 0.00 C
489
+ ATOM 488 CB SER A 63 19.176 50.055 10.248 1.00 0.00 C
490
+ ATOM 489 O SER A 63 19.394 50.696 7.203 1.00 0.00 O
491
+ ATOM 490 OG SER A 63 20.492 50.234 10.743 1.00 0.00 O
492
+ ATOM 491 N SER A 64 21.192 49.359 7.532 1.00 0.00 N
493
+ ATOM 492 CA SER A 64 21.994 49.890 6.434 1.00 0.00 C
494
+ ATOM 493 C SER A 64 21.504 49.368 5.088 1.00 0.00 C
495
+ ATOM 494 CB SER A 64 23.468 49.531 6.624 1.00 0.00 C
496
+ ATOM 495 O SER A 64 21.873 49.900 4.039 1.00 0.00 O
497
+ ATOM 496 OG SER A 64 23.650 48.126 6.597 1.00 0.00 O
498
+ ATOM 497 N GLY A 65 20.699 48.346 5.132 1.00 0.00 N
499
+ ATOM 498 CA GLY A 65 20.243 47.732 3.895 1.00 0.00 C
500
+ ATOM 499 C GLY A 65 21.183 46.659 3.379 1.00 0.00 C
501
+ ATOM 500 O GLY A 65 20.876 45.975 2.401 1.00 0.00 O
502
+ ATOM 501 N ASP A 66 22.310 46.546 4.041 1.00 0.00 N
503
+ ATOM 502 CA ASP A 66 23.299 45.546 3.648 1.00 0.00 C
504
+ ATOM 503 C ASP A 66 22.855 44.144 4.060 1.00 0.00 C
505
+ ATOM 504 CB ASP A 66 24.662 45.869 4.264 1.00 0.00 C
506
+ ATOM 505 O ASP A 66 22.164 43.977 5.066 1.00 0.00 O
507
+ ATOM 506 CG ASP A 66 25.266 47.155 3.727 1.00 0.00 C
508
+ ATOM 507 OD1 ASP A 66 24.990 47.519 2.563 1.00 0.00 O
509
+ ATOM 508 OD2 ASP A 66 26.027 47.808 4.472 1.00 0.00 O
510
+ ATOM 509 N VAL A 67 23.305 43.194 3.259 1.00 0.00 N
511
+ ATOM 510 CA VAL A 67 23.106 41.796 3.625 1.00 0.00 C
512
+ ATOM 511 C VAL A 67 24.098 41.401 4.717 1.00 0.00 C
513
+ ATOM 512 CB VAL A 67 23.257 40.861 2.404 1.00 0.00 C
514
+ ATOM 513 O VAL A 67 25.293 41.691 4.613 1.00 0.00 O
515
+ ATOM 514 CG1 VAL A 67 23.230 39.397 2.838 1.00 0.00 C
516
+ ATOM 515 CG2 VAL A 67 22.157 41.139 1.382 1.00 0.00 C
517
+ ATOM 516 N TYR A 68 23.597 40.850 5.767 1.00 0.00 N
518
+ ATOM 517 CA TYR A 68 24.438 40.418 6.879 1.00 0.00 C
519
+ ATOM 518 C TYR A 68 25.463 39.388 6.419 1.00 0.00 C
520
+ ATOM 519 CB TYR A 68 23.580 39.834 8.005 1.00 0.00 C
521
+ ATOM 520 O TYR A 68 25.117 38.418 5.739 1.00 0.00 O
522
+ ATOM 521 CG TYR A 68 24.385 39.282 9.157 1.00 0.00 C
523
+ ATOM 522 CD1 TYR A 68 25.115 40.127 9.989 1.00 0.00 C
524
+ ATOM 523 CD2 TYR A 68 24.417 37.916 9.415 1.00 0.00 C
525
+ ATOM 524 CE1 TYR A 68 25.860 39.622 11.050 1.00 0.00 C
526
+ ATOM 525 CE2 TYR A 68 25.158 37.401 10.472 1.00 0.00 C
527
+ ATOM 526 OH TYR A 68 26.610 37.756 12.334 1.00 0.00 O
528
+ ATOM 527 CZ TYR A 68 25.875 38.261 11.284 1.00 0.00 C
529
+ ATOM 528 N SER A 69 26.726 39.620 6.745 1.00 0.00 N
530
+ ATOM 529 CA SER A 69 27.808 38.753 6.291 1.00 0.00 C
531
+ ATOM 530 C SER A 69 28.722 38.357 7.446 1.00 0.00 C
532
+ ATOM 531 CB SER A 69 28.626 39.444 5.199 1.00 0.00 C
533
+ ATOM 532 O SER A 69 29.806 37.814 7.230 1.00 0.00 O
534
+ ATOM 533 OG SER A 69 29.229 40.628 5.694 1.00 0.00 O
535
+ ATOM 534 N GLY A 70 28.394 38.582 8.711 1.00 0.00 N
536
+ ATOM 535 CA GLY A 70 29.171 38.088 9.837 1.00 0.00 C
537
+ ATOM 536 C GLY A 70 29.623 39.187 10.779 1.00 0.00 C
538
+ ATOM 537 O GLY A 70 30.328 38.924 11.755 1.00 0.00 O
539
+ ATOM 538 N GLY A 71 29.300 40.504 10.575 1.00 0.00 N
540
+ ATOM 539 CA GLY A 71 29.556 41.563 11.539 1.00 0.00 C
541
+ ATOM 540 C GLY A 71 28.558 41.584 12.680 1.00 0.00 C
542
+ ATOM 541 O GLY A 71 27.994 40.548 13.039 1.00 0.00 O
543
+ ATOM 542 N SER A 72 28.342 42.836 13.337 1.00 0.00 N
544
+ ATOM 543 CA SER A 72 27.281 42.993 14.327 1.00 0.00 C
545
+ ATOM 544 C SER A 72 25.907 42.759 13.707 1.00 0.00 C
546
+ ATOM 545 CB SER A 72 27.335 44.387 14.955 1.00 0.00 C
547
+ ATOM 546 O SER A 72 25.564 43.373 12.695 1.00 0.00 O
548
+ ATOM 547 OG SER A 72 26.289 44.554 15.897 1.00 0.00 O
549
+ ATOM 548 N PRO A 73 25.094 41.790 14.254 1.00 0.00 N
550
+ ATOM 549 CA PRO A 73 23.792 41.480 13.660 1.00 0.00 C
551
+ ATOM 550 C PRO A 73 22.745 42.557 13.938 1.00 0.00 C
552
+ ATOM 551 CB PRO A 73 23.405 40.157 14.328 1.00 0.00 C
553
+ ATOM 552 O PRO A 73 21.669 42.548 13.334 1.00 0.00 O
554
+ ATOM 553 CG PRO A 73 24.104 40.179 15.649 1.00 0.00 C
555
+ ATOM 554 CD PRO A 73 25.436 40.850 15.473 1.00 0.00 C
556
+ ATOM 555 N GLY A 74 23.111 43.611 14.779 1.00 0.00 N
557
+ ATOM 556 CA GLY A 74 22.097 44.580 15.165 1.00 0.00 C
558
+ ATOM 557 C GLY A 74 20.944 43.963 15.934 1.00 0.00 C
559
+ ATOM 558 O GLY A 74 21.038 42.824 16.397 1.00 0.00 O
560
+ ATOM 559 N ALA A 75 19.857 44.718 16.077 1.00 0.00 N
561
+ ATOM 560 CA ALA A 75 18.777 44.336 16.983 1.00 0.00 C
562
+ ATOM 561 C ALA A 75 17.656 43.625 16.231 1.00 0.00 C
563
+ ATOM 562 CB ALA A 75 18.232 45.564 17.709 1.00 0.00 C
564
+ ATOM 563 O ALA A 75 16.814 42.961 16.841 1.00 0.00 O
565
+ ATOM 564 N ASP A 76 17.568 43.739 14.931 1.00 0.00 N
566
+ ATOM 565 CA ASP A 76 16.373 43.352 14.188 1.00 0.00 C
567
+ ATOM 566 C ASP A 76 16.597 42.045 13.430 1.00 0.00 C
568
+ ATOM 567 CB ASP A 76 15.963 44.459 13.215 1.00 0.00 C
569
+ ATOM 568 O ASP A 76 17.675 41.818 12.877 1.00 0.00 O
570
+ ATOM 569 CG ASP A 76 15.807 45.811 13.888 1.00 0.00 C
571
+ ATOM 570 OD1 ASP A 76 15.527 45.858 15.106 1.00 0.00 O
572
+ ATOM 571 OD2 ASP A 76 15.963 46.839 13.195 1.00 0.00 O
573
+ ATOM 572 N ARG A 77 15.529 41.190 13.386 1.00 0.00 N
574
+ ATOM 573 CA ARG A 77 15.576 39.889 12.727 1.00 0.00 C
575
+ ATOM 574 C ARG A 77 14.370 39.694 11.813 1.00 0.00 C
576
+ ATOM 575 CB ARG A 77 15.636 38.763 13.762 1.00 0.00 C
577
+ ATOM 576 O ARG A 77 13.259 40.112 12.146 1.00 0.00 O
578
+ ATOM 577 CG ARG A 77 16.845 38.836 14.682 1.00 0.00 C
579
+ ATOM 578 CD ARG A 77 18.146 38.926 13.895 1.00 0.00 C
580
+ ATOM 579 NE ARG A 77 19.311 38.853 14.773 1.00 0.00 N
581
+ ATOM 580 NH1 ARG A 77 19.467 41.134 15.101 1.00 0.00 N
582
+ ATOM 581 NH2 ARG A 77 20.965 39.722 16.108 1.00 0.00 N
583
+ ATOM 582 CZ ARG A 77 19.911 39.903 15.325 1.00 0.00 C
584
+ ATOM 583 N VAL A 78 14.612 39.006 10.674 1.00 0.00 N
585
+ ATOM 584 CA VAL A 78 13.528 38.328 9.969 1.00 0.00 C
586
+ ATOM 585 C VAL A 78 13.431 36.879 10.441 1.00 0.00 C
587
+ ATOM 586 CB VAL A 78 13.729 38.378 8.437 1.00 0.00 C
588
+ ATOM 587 O VAL A 78 14.450 36.236 10.703 1.00 0.00 O
589
+ ATOM 588 CG1 VAL A 78 13.818 39.823 7.951 1.00 0.00 C
590
+ ATOM 589 CG2 VAL A 78 14.981 37.598 8.038 1.00 0.00 C
591
+ ATOM 590 N VAL A 79 12.216 36.454 10.666 1.00 0.00 N
592
+ ATOM 591 CA VAL A 79 11.934 35.068 11.019 1.00 0.00 C
593
+ ATOM 592 C VAL A 79 11.207 34.377 9.866 1.00 0.00 C
594
+ ATOM 593 CB VAL A 79 11.093 34.970 12.312 1.00 0.00 C
595
+ ATOM 594 O VAL A 79 10.214 34.896 9.352 1.00 0.00 O
596
+ ATOM 595 CG1 VAL A 79 10.903 33.512 12.724 1.00 0.00 C
597
+ ATOM 596 CG2 VAL A 79 11.754 35.765 13.437 1.00 0.00 C
598
+ ATOM 597 N PHE A 80 11.685 33.216 9.450 1.00 0.00 N
599
+ ATOM 598 CA PHE A 80 11.083 32.431 8.377 1.00 0.00 C
600
+ ATOM 599 C PHE A 80 11.077 30.949 8.729 1.00 0.00 C
601
+ ATOM 600 CB PHE A 80 11.832 32.656 7.059 1.00 0.00 C
602
+ ATOM 601 O PHE A 80 11.779 30.521 9.647 1.00 0.00 O
603
+ ATOM 602 CG PHE A 80 13.291 32.292 7.122 1.00 0.00 C
604
+ ATOM 603 CD1 PHE A 80 14.236 33.222 7.536 1.00 0.00 C
605
+ ATOM 604 CD2 PHE A 80 13.717 31.019 6.765 1.00 0.00 C
606
+ ATOM 605 CE1 PHE A 80 15.588 32.887 7.594 1.00 0.00 C
607
+ ATOM 606 CE2 PHE A 80 15.065 30.678 6.820 1.00 0.00 C
608
+ ATOM 607 CZ PHE A 80 15.999 31.613 7.234 1.00 0.00 C
609
+ ATOM 608 N ASN A 81 10.260 30.151 8.014 1.00 0.00 N
610
+ ATOM 609 CA ASN A 81 10.254 28.717 8.281 1.00 0.00 C
611
+ ATOM 610 C ASN A 81 11.056 27.948 7.235 1.00 0.00 C
612
+ ATOM 611 CB ASN A 81 8.820 28.189 8.344 1.00 0.00 C
613
+ ATOM 612 O ASN A 81 11.673 28.549 6.354 1.00 0.00 O
614
+ ATOM 613 CG ASN A 81 8.153 28.145 6.984 1.00 0.00 C
615
+ ATOM 614 ND2 ASN A 81 6.892 27.731 6.954 1.00 0.00 N
616
+ ATOM 615 OD1 ASN A 81 8.766 28.481 5.967 1.00 0.00 O
617
+ ATOM 616 N GLU A 82 11.069 26.689 7.314 1.00 0.00 N
618
+ ATOM 617 CA GLU A 82 11.927 25.824 6.509 1.00 0.00 C
619
+ ATOM 618 C GLU A 82 11.531 25.872 5.036 1.00 0.00 C
620
+ ATOM 619 CB GLU A 82 11.872 24.383 7.023 1.00 0.00 C
621
+ ATOM 620 O GLU A 82 12.263 25.378 4.175 1.00 0.00 O
622
+ ATOM 621 CG GLU A 82 10.494 23.745 6.918 1.00 0.00 C
623
+ ATOM 622 CD GLU A 82 10.455 22.314 7.429 1.00 0.00 C
624
+ ATOM 623 OE1 GLU A 82 11.533 21.699 7.596 1.00 0.00 O
625
+ ATOM 624 OE2 GLU A 82 9.337 21.802 7.663 1.00 0.00 O
626
+ ATOM 625 N ASN A 83 10.377 26.467 4.751 1.00 0.00 N
627
+ ATOM 626 CA ASN A 83 9.892 26.527 3.377 1.00 0.00 C
628
+ ATOM 627 C ASN A 83 9.950 27.947 2.823 1.00 0.00 C
629
+ ATOM 628 CB ASN A 83 8.466 25.979 3.287 1.00 0.00 C
630
+ ATOM 629 O ASN A 83 9.158 28.310 1.951 1.00 0.00 O
631
+ ATOM 630 CG ASN A 83 8.386 24.502 3.615 1.00 0.00 C
632
+ ATOM 631 ND2 ASN A 83 7.334 24.107 4.322 1.00 0.00 N
633
+ ATOM 632 OD1 ASN A 83 9.264 23.720 3.237 1.00 0.00 O
634
+ ATOM 633 N ASN A 84 10.766 28.697 3.436 1.00 0.00 N
635
+ ATOM 634 CA ASN A 84 11.007 30.074 3.016 1.00 0.00 C
636
+ ATOM 635 C ASN A 84 9.748 30.926 3.143 1.00 0.00 C
637
+ ATOM 636 CB ASN A 84 11.532 30.112 1.580 1.00 0.00 C
638
+ ATOM 637 O ASN A 84 9.534 31.846 2.352 1.00 0.00 O
639
+ ATOM 638 CG ASN A 84 12.158 31.445 1.223 1.00 0.00 C
640
+ ATOM 639 ND2 ASN A 84 12.198 31.756 -0.067 1.00 0.00 N
641
+ ATOM 640 OD1 ASN A 84 12.605 32.190 2.100 1.00 0.00 O
642
+ ATOM 641 N GLN A 85 8.863 30.614 4.002 1.00 0.00 N
643
+ ATOM 642 CA GLN A 85 7.712 31.451 4.322 1.00 0.00 C
644
+ ATOM 643 C GLN A 85 8.027 32.401 5.475 1.00 0.00 C
645
+ ATOM 644 CB GLN A 85 6.499 30.586 4.672 1.00 0.00 C
646
+ ATOM 645 O GLN A 85 8.585 31.986 6.493 1.00 0.00 O
647
+ ATOM 646 CG GLN A 85 6.103 29.610 3.572 1.00 0.00 C
648
+ ATOM 647 CD GLN A 85 5.005 28.656 4.002 1.00 0.00 C
649
+ ATOM 648 NE2 GLN A 85 3.872 28.704 3.308 1.00 0.00 N
650
+ ATOM 649 OE1 GLN A 85 5.173 27.881 4.948 1.00 0.00 O
651
+ ATOM 650 N LEU A 86 7.730 33.580 5.262 1.00 0.00 N
652
+ ATOM 651 CA LEU A 86 7.968 34.596 6.283 1.00 0.00 C
653
+ ATOM 652 C LEU A 86 7.056 34.383 7.486 1.00 0.00 C
654
+ ATOM 653 CB LEU A 86 7.752 35.997 5.705 1.00 0.00 C
655
+ ATOM 654 O LEU A 86 5.835 34.302 7.337 1.00 0.00 O
656
+ ATOM 655 CG LEU A 86 8.010 37.169 6.654 1.00 0.00 C
657
+ ATOM 656 CD1 LEU A 86 9.485 37.229 7.033 1.00 0.00 C
658
+ ATOM 657 CD2 LEU A 86 7.562 38.480 6.017 1.00 0.00 C
659
+ ATOM 658 N ALA A 87 7.638 34.256 8.636 1.00 0.00 N
660
+ ATOM 659 CA ALA A 87 6.867 34.208 9.875 1.00 0.00 C
661
+ ATOM 660 C ALA A 87 6.610 35.612 10.416 1.00 0.00 C
662
+ ATOM 661 CB ALA A 87 7.590 33.363 10.921 1.00 0.00 C
663
+ ATOM 662 O ALA A 87 5.494 35.930 10.833 1.00 0.00 O
664
+ ATOM 663 N GLY A 88 7.635 36.482 10.444 1.00 0.00 N
665
+ ATOM 664 CA GLY A 88 7.513 37.842 10.945 1.00 0.00 C
666
+ ATOM 665 C GLY A 88 8.846 38.557 11.064 1.00 0.00 C
667
+ ATOM 666 O GLY A 88 9.879 38.029 10.647 1.00 0.00 O
668
+ ATOM 667 N VAL A 89 8.811 39.713 11.464 1.00 0.00 N
669
+ ATOM 668 CA VAL A 89 9.973 40.539 11.772 1.00 0.00 C
670
+ ATOM 669 C VAL A 89 9.948 40.941 13.244 1.00 0.00 C
671
+ ATOM 670 CB VAL A 89 10.027 41.798 10.877 1.00 0.00 C
672
+ ATOM 671 O VAL A 89 8.917 41.383 13.756 1.00 0.00 O
673
+ ATOM 672 CG1 VAL A 89 11.336 42.556 11.089 1.00 0.00 C
674
+ ATOM 673 CG2 VAL A 89 9.859 41.415 9.408 1.00 0.00 C
675
+ ATOM 674 N ILE A 90 11.060 40.745 13.916 1.00 0.00 N
676
+ ATOM 675 CA ILE A 90 11.109 40.965 15.357 1.00 0.00 C
677
+ ATOM 676 C ILE A 90 12.333 41.807 15.710 1.00 0.00 C
678
+ ATOM 677 CB ILE A 90 11.137 39.628 16.131 1.00 0.00 C
679
+ ATOM 678 O ILE A 90 13.239 41.972 14.888 1.00 0.00 O
680
+ ATOM 679 CG1 ILE A 90 12.358 38.797 15.719 1.00 0.00 C
681
+ ATOM 680 CG2 ILE A 90 9.840 38.845 15.906 1.00 0.00 C
682
+ ATOM 681 CD1 ILE A 90 12.524 37.507 16.510 1.00 0.00 C
683
+ ATOM 682 N THR A 91 12.290 42.356 16.909 1.00 0.00 N
684
+ ATOM 683 CA THR A 91 13.397 43.213 17.319 1.00 0.00 C
685
+ ATOM 684 C THR A 91 13.638 43.103 18.822 1.00 0.00 C
686
+ ATOM 685 CB THR A 91 13.132 44.684 16.945 1.00 0.00 C
687
+ ATOM 686 O THR A 91 12.706 42.858 19.590 1.00 0.00 O
688
+ ATOM 687 CG2 THR A 91 11.884 45.212 17.646 1.00 0.00 C
689
+ ATOM 688 OG1 THR A 91 14.258 45.480 17.334 1.00 0.00 O
690
+ ATOM 689 N HIS A 92 14.933 43.345 19.109 1.00 0.00 N
691
+ ATOM 690 CA HIS A 92 15.287 43.451 20.520 1.00 0.00 C
692
+ ATOM 691 C HIS A 92 14.925 44.824 21.078 1.00 0.00 C
693
+ ATOM 692 CB HIS A 92 16.779 43.180 20.721 1.00 0.00 C
694
+ ATOM 693 O HIS A 92 14.821 44.998 22.294 1.00 0.00 O
695
+ ATOM 694 CG HIS A 92 17.157 41.743 20.548 1.00 0.00 C
696
+ ATOM 695 CD2 HIS A 92 17.973 41.139 19.653 1.00 0.00 C
697
+ ATOM 696 ND1 HIS A 92 16.669 40.743 21.362 1.00 0.00 N
698
+ ATOM 697 CE1 HIS A 92 17.171 39.584 20.973 1.00 0.00 C
699
+ ATOM 698 NE2 HIS A 92 17.966 39.796 19.939 1.00 0.00 N
700
+ ATOM 699 N THR A 93 14.801 45.754 20.258 1.00 0.00 N
701
+ ATOM 700 CA THR A 93 14.508 47.105 20.720 1.00 0.00 C
702
+ ATOM 701 C THR A 93 13.169 47.149 21.451 1.00 0.00 C
703
+ ATOM 702 CB THR A 93 14.489 48.106 19.549 1.00 0.00 C
704
+ ATOM 703 O THR A 93 12.142 46.752 20.898 1.00 0.00 O
705
+ ATOM 704 CG2 THR A 93 14.206 49.522 20.039 1.00 0.00 C
706
+ ATOM 705 OG1 THR A 93 15.762 48.084 18.890 1.00 0.00 O
707
+ ATOM 706 N GLY A 94 13.269 47.597 22.652 1.00 0.00 N
708
+ ATOM 707 CA GLY A 94 12.045 47.728 23.426 1.00 0.00 C
709
+ ATOM 708 C GLY A 94 11.685 46.470 24.192 1.00 0.00 C
710
+ ATOM 709 O GLY A 94 10.678 46.436 24.903 1.00 0.00 O
711
+ ATOM 710 N ALA A 95 12.449 45.422 24.025 1.00 0.00 N
712
+ ATOM 711 CA ALA A 95 12.221 44.191 24.776 1.00 0.00 C
713
+ ATOM 712 C ALA A 95 13.024 44.182 26.074 1.00 0.00 C
714
+ ATOM 713 CB ALA A 95 12.579 42.975 23.924 1.00 0.00 C
715
+ ATOM 714 O ALA A 95 14.035 44.879 26.190 1.00 0.00 O
716
+ ATOM 715 N SER A 96 12.500 43.531 27.031 1.00 0.00 N
717
+ ATOM 716 CA SER A 96 13.238 43.351 28.277 1.00 0.00 C
718
+ ATOM 717 C SER A 96 14.301 42.267 28.139 1.00 0.00 C
719
+ ATOM 718 CB SER A 96 12.285 42.999 29.420 1.00 0.00 C
720
+ ATOM 719 O SER A 96 14.037 41.197 27.584 1.00 0.00 O
721
+ ATOM 720 OG SER A 96 11.740 41.703 29.240 1.00 0.00 O
722
+ ATOM 721 N GLY A 97 15.462 42.534 28.533 1.00 0.00 N
723
+ ATOM 722 CA GLY A 97 16.513 41.531 28.451 1.00 0.00 C
724
+ ATOM 723 C GLY A 97 16.820 41.105 27.029 1.00 0.00 C
725
+ ATOM 724 O GLY A 97 16.864 41.937 26.121 1.00 0.00 O
726
+ ATOM 725 N ASN A 98 17.027 39.806 26.798 1.00 0.00 N
727
+ ATOM 726 CA ASN A 98 17.384 39.260 25.493 1.00 0.00 C
728
+ ATOM 727 C ASN A 98 16.152 38.777 24.732 1.00 0.00 C
729
+ ATOM 728 CB ASN A 98 18.395 38.123 25.645 1.00 0.00 C
730
+ ATOM 729 O ASN A 98 16.266 37.977 23.801 1.00 0.00 O
731
+ ATOM 730 CG ASN A 98 19.806 38.623 25.881 1.00 0.00 C
732
+ ATOM 731 ND2 ASN A 98 20.664 37.754 26.404 1.00 0.00 N
733
+ ATOM 732 OD1 ASN A 98 20.123 39.781 25.598 1.00 0.00 O
734
+ ATOM 733 N ASN A 99 14.969 39.274 25.121 1.00 0.00 N
735
+ ATOM 734 CA ASN A 99 13.729 38.884 24.457 1.00 0.00 C
736
+ ATOM 735 C ASN A 99 13.516 39.667 23.165 1.00 0.00 C
737
+ ATOM 736 CB ASN A 99 12.535 39.072 25.395 1.00 0.00 C
738
+ ATOM 737 O ASN A 99 14.300 40.560 22.838 1.00 0.00 O
739
+ ATOM 738 CG ASN A 99 12.552 38.105 26.562 1.00 0.00 C
740
+ ATOM 739 ND2 ASN A 99 12.084 38.561 27.718 1.00 0.00 N
741
+ ATOM 740 OD1 ASN A 99 12.982 36.955 26.426 1.00 0.00 O
742
+ ATOM 741 N PHE A 100 12.498 39.330 22.442 1.00 0.00 N
743
+ ATOM 742 CA PHE A 100 12.100 40.023 21.223 1.00 0.00 C
744
+ ATOM 743 C PHE A 100 10.684 40.574 21.350 1.00 0.00 C
745
+ ATOM 744 CB PHE A 100 12.192 39.085 20.015 1.00 0.00 C
746
+ ATOM 745 O PHE A 100 9.876 40.051 22.120 1.00 0.00 O
747
+ ATOM 746 CG PHE A 100 13.601 38.710 19.643 1.00 0.00 C
748
+ ATOM 747 CD1 PHE A 100 14.393 39.578 18.902 1.00 0.00 C
749
+ ATOM 748 CD2 PHE A 100 14.133 37.489 20.036 1.00 0.00 C
750
+ ATOM 749 CE1 PHE A 100 15.698 39.234 18.556 1.00 0.00 C
751
+ ATOM 750 CE2 PHE A 100 15.437 37.138 19.694 1.00 0.00 C
752
+ ATOM 751 CZ PHE A 100 16.216 38.012 18.954 1.00 0.00 C
753
+ ATOM 752 N VAL A 101 10.412 41.612 20.666 1.00 0.00 N
754
+ ATOM 753 CA VAL A 101 9.059 42.070 20.370 1.00 0.00 C
755
+ ATOM 754 C VAL A 101 8.842 42.099 18.858 1.00 0.00 C
756
+ ATOM 755 CB VAL A 101 8.786 43.464 20.975 1.00 0.00 C
757
+ ATOM 756 O VAL A 101 9.797 42.245 18.091 1.00 0.00 O
758
+ ATOM 757 CG1 VAL A 101 8.854 43.415 22.500 1.00 0.00 C
759
+ ATOM 758 CG2 VAL A 101 9.778 44.488 20.425 1.00 0.00 C
760
+ ATOM 759 N GLU A 102 7.594 41.877 18.444 1.00 0.00 N
761
+ ATOM 760 CA GLU A 102 7.306 41.915 17.014 1.00 0.00 C
762
+ ATOM 761 C GLU A 102 7.340 43.345 16.482 1.00 0.00 C
763
+ ATOM 762 CB GLU A 102 5.946 41.277 16.722 1.00 0.00 C
764
+ ATOM 763 O GLU A 102 6.855 44.269 17.138 1.00 0.00 O
765
+ ATOM 764 CG GLU A 102 5.915 39.771 16.932 1.00 0.00 C
766
+ ATOM 765 CD GLU A 102 4.606 39.130 16.498 1.00 0.00 C
767
+ ATOM 766 OE1 GLU A 102 4.312 39.117 15.280 1.00 0.00 O
768
+ ATOM 767 OE2 GLU A 102 3.869 38.639 17.380 1.00 0.00 O
769
+ ATOM 768 N CYS A 103 8.024 43.459 15.386 1.00 0.00 N
770
+ ATOM 769 CA CYS A 103 7.963 44.747 14.703 1.00 0.00 C
771
+ ATOM 770 C CYS A 103 6.557 45.024 14.186 1.00 0.00 C
772
+ ATOM 771 CB CYS A 103 8.959 44.787 13.544 1.00 0.00 C
773
+ ATOM 772 O CYS A 103 5.808 44.093 13.883 1.00 0.00 O
774
+ ATOM 773 SG CYS A 103 10.663 44.444 14.037 1.00 0.00 S
775
+ ATOM 774 N THR A 104 6.080 46.339 14.149 1.00 0.00 N
776
+ ATOM 775 CA THR A 104 4.740 46.715 13.709 1.00 0.00 C
777
+ ATOM 776 C THR A 104 4.757 47.162 12.250 1.00 0.00 C
778
+ ATOM 777 CB THR A 104 4.158 47.838 14.587 1.00 0.00 C
779
+ ATOM 778 O THR A 104 5.778 47.638 11.752 1.00 0.00 O
780
+ ATOM 779 CG2 THR A 104 4.028 47.389 16.039 1.00 0.00 C
781
+ ATOM 780 OG1 THR A 104 5.021 48.980 14.526 1.00 0.00 O
782
+ ATOM 781 OXT THR A 104 3.601 46.798 12.204 1.00 0.00 O
783
+ TER 782 THR A 104
784
+ CONECT 11 68
785
+ CONECT 44 773
786
+ CONECT 68 11
787
+ CONECT 773 44
788
+ END
1rnt/1rnt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rs2/1rs2_ligand.mol2 ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1rs2_ligand
7
+ 24 25 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N1 48.0840 47.9700 74.0810 N.am 1 209 -0.1494
14
+ 2 C2 47.3250 47.7430 75.2340 C.2 1 209 0.3132
15
+ 3 C3 47.7940 46.7250 76.1850 C.2 1 209 0.2930
16
+ 4 C4 48.9050 46.0440 75.9490 C.2 1 209 0.3297
17
+ 5 N5 49.6740 46.3260 74.7110 N.am 1 209 -0.1114
18
+ 6 C6 49.2610 47.2860 73.7820 C.2 1 209 0.3743
19
+ 7 N7 47.2170 46.2670 77.4540 N.pl3 1 209 -0.2404
20
+ 8 C8 48.0480 45.3130 77.9120 C.cat 1 209 0.1896
21
+ 9 N9 49.1050 45.0990 77.0690 N.pl3 1 209 -0.2190
22
+ 10 N10 47.8650 44.6400 79.0350 N.pl3 1 209 -0.3475
23
+ 11 C11 50.9050 45.5810 74.4290 C.3 1 209 0.0805
24
+ 12 C15 47.6260 48.9900 73.1150 C.3 1 209 0.0500
25
+ 13 O19 49.9130 47.5100 72.7470 O.2 1 209 -0.3578
26
+ 14 O20 46.2750 48.3110 75.5490 O.2 1 209 -0.3498
27
+ 15 H1 46.3537 46.6060 77.9019 H 1 209 0.2290
28
+ 16 H2 49.8743 44.4247 77.1889 H 1 209 0.2222
29
+ 17 H3 47.0501 44.8443 79.6309 H 1 209 0.1676
30
+ 18 H4 48.5373 43.9113 79.3141 H 1 209 0.1676
31
+ 19 H5 51.0972 44.8684 75.2446 H 1 209 0.0655
32
+ 20 H6 51.7482 46.2828 74.3490 H 1 209 0.0655
33
+ 21 H7 50.7931 45.0328 73.4819 H 1 209 0.0655
34
+ 22 H8 46.6925 49.4452 73.4774 H 1 209 0.0540
35
+ 23 H9 47.4478 48.5163 72.1384 H 1 209 0.0540
36
+ 24 H10 48.3966 49.7679 73.0101 H 1 209 0.0540
37
+ @<TRIPOS>BOND
38
+ 1 1 2 am
39
+ 2 1 6 am
40
+ 3 1 12 1
41
+ 4 2 3 1
42
+ 5 2 14 2
43
+ 6 3 4 2
44
+ 7 3 7 1
45
+ 8 4 5 am
46
+ 9 4 9 1
47
+ 10 5 6 am
48
+ 11 5 11 1
49
+ 12 6 13 2
50
+ 13 7 8 ar
51
+ 14 8 9 ar
52
+ 15 8 10 ar
53
+ 16 7 15 1
54
+ 17 9 16 1
55
+ 18 10 17 1
56
+ 19 10 18 1
57
+ 20 11 19 1
58
+ 21 11 20 1
59
+ 22 11 21 1
60
+ 23 12 22 1
61
+ 24 12 23 1
62
+ 25 12 24 1
63
+ @<TRIPOS>SUBSTRUCTURE
64
+ 1 209 1
65
+
1rs2/1rs2_ligand.sdf ADDED
@@ -0,0 +1,53 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1rs2_ligand
2
+ -I-interpret-
3
+
4
+ 23 24 0 0 0 0 0 0 0 0999 V2000
5
+ 48.0840 47.9700 74.0810 N 0 0 0 0 0
6
+ 47.3250 47.7430 75.2340 C 0 0 0 0 0
7
+ 47.7940 46.7250 76.1850 C 0 0 0 0 0
8
+ 48.9050 46.0440 75.9490 C 0 0 0 0 0
9
+ 49.6740 46.3260 74.7110 N 0 0 0 0 0
10
+ 49.2610 47.2860 73.7820 C 0 0 0 0 0
11
+ 47.2170 46.2670 77.4540 N 0 0 0 0 0
12
+ 48.0480 45.3130 77.9120 C 0 0 0 0 0
13
+ 49.1050 45.0990 77.0690 N 0 0 0 0 0
14
+ 47.8650 44.6400 79.0350 N 0 0 0 0 0
15
+ 50.9050 45.5810 74.4290 C 0 0 0 0 0
16
+ 47.6260 48.9900 73.1150 C 0 0 0 0 0
17
+ 49.9130 47.5100 72.7470 O 0 0 0 0 0
18
+ 46.2750 48.3110 75.5490 O 0 0 0 0 0
19
+ 46.3620 46.6027 77.8976 H 0 0 0 0 0
20
+ 49.8669 44.4313 77.1877 H 0 0 0 0 0
21
+ 48.5308 43.9184 79.3114 H 0 0 0 0 0
22
+ 50.7928 45.0383 73.4904 H 0 0 0 0 0
23
+ 51.7397 46.2775 74.3500 H 0 0 0 0 0
24
+ 51.0944 44.8752 75.2378 H 0 0 0 0 0
25
+ 48.3904 49.7601 73.0119 H 0 0 0 0 0
26
+ 47.4499 48.5194 72.1478 H 0 0 0 0 0
27
+ 46.7010 49.4403 73.4752 H 0 0 0 0 0
28
+ 1 2 1 0 0 0
29
+ 1 6 1 0 0 0
30
+ 1 12 1 0 0 0
31
+ 2 3 1 0 0 0
32
+ 2 14 2 0 0 0
33
+ 3 4 2 0 0 0
34
+ 3 7 1 0 0 0
35
+ 4 5 1 0 0 0
36
+ 4 9 1 0 0 0
37
+ 5 6 1 0 0 0
38
+ 5 11 1 0 0 0
39
+ 6 13 2 0 0 0
40
+ 7 8 1 0 0 0
41
+ 8 9 1 0 0 0
42
+ 8 10 2 0 0 0
43
+ 7 15 1 0 0 0
44
+ 9 16 1 0 0 0
45
+ 10 17 1 0 0 0
46
+ 11 18 1 0 0 0
47
+ 11 19 1 0 0 0
48
+ 11 20 1 0 0 0
49
+ 12 21 1 0 0 0
50
+ 12 22 1 0 0 0
51
+ 12 23 1 0 0 0
52
+ M END
53
+ $$$$
1rs2/1rs2_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rs2/1rs2_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ujj/1ujj_ligand.mol2 ADDED
@@ -0,0 +1,249 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1ujj_ligand
7
+ 117 116 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 106.4550 11.3360 6.9070 N.4 1 ASP 0.2391
14
+ 2 CA 107.8810 10.8940 6.8430 C.3 1 ASP 0.0764
15
+ 3 C 108.7630 11.8270 7.6840 C.2 1 ASP 0.2285
16
+ 4 O 108.4670 13.0200 7.8380 O.2 1 ASP -0.3906
17
+ 5 CB 108.3840 10.9030 5.3930 C.3 1 ASP 0.0607
18
+ 6 CG 108.5840 12.3160 4.8540 C.2 1 ASP 0.0425
19
+ 7 OD1 107.5790 13.0380 4.6640 O.co2 1 ASP -0.5686
20
+ 8 OD2 109.7510 12.7060 4.6350 O.co2 1 ASP -0.5686
21
+ 9 N 109.8550 11.2810 8.2100 N.am 1 ASP -0.2594
22
+ 10 CA 110.7700 12.0530 9.0350 C.3 1 ASP 0.1424
23
+ 11 C 112.1110 11.3320 9.1490 C.2 1 ASP 0.2056
24
+ 12 O 112.1590 10.1060 9.1460 O.2 1 ASP -0.3943
25
+ 13 CB 110.1440 12.2570 10.4190 C.3 1 ASP 0.0406
26
+ 14 CG 111.0790 12.9430 11.3920 C.2 1 ASP 0.0393
27
+ 15 OD1 111.8100 13.8540 10.9730 O.co2 1 ASP -0.5688
28
+ 16 OD2 111.0740 12.5820 12.5860 O.co2 1 ASP -0.5688
29
+ 17 N 113.2010 12.0900 9.2460 N.am 1 ILE -0.2634
30
+ 18 CA 114.5270 11.4940 9.3620 C.3 1 ILE 0.1335
31
+ 19 C 114.6870 10.8530 10.7480 C.2 1 ILE 0.2042
32
+ 20 O 113.8290 10.9990 11.6150 O.2 1 ILE -0.3944
33
+ 21 CB 115.6360 12.5630 9.1160 C.3 1 ILE -0.0037
34
+ 22 CG1 117.0020 11.8840 8.9630 C.3 1 ILE -0.0491
35
+ 23 CG2 115.7030 13.5510 10.2700 C.3 1 ILE -0.0582
36
+ 24 CD1 118.1710 12.8570 8.7880 C.3 1 ILE -0.0648
37
+ 25 N 115.7760 10.1250 10.9510 N.am 1 SER -0.2616
38
+ 26 CA 116.0200 9.4810 12.2290 C.3 1 SER 0.1539
39
+ 27 C 116.7270 10.4380 13.1820 C.2 1 SER 0.2062
40
+ 28 O 117.2660 11.4630 12.7550 O.2 1 SER -0.3943
41
+ 29 CB 116.8770 8.2310 12.0290 C.3 1 SER 0.0843
42
+ 30 OG 116.2240 7.3080 11.1760 O.3 1 SER -0.3903
43
+ 31 N 116.7150 10.0940 14.4700 N.am 1 LEU -0.2636
44
+ 32 CA 117.3580 10.9030 15.5070 C.3 1 LEU 0.1312
45
+ 33 C 118.8660 10.9550 15.3090 C.2 1 LEU 0.2039
46
+ 34 O 119.5170 9.9290 15.1710 O.2 1 LEU -0.3944
47
+ 35 CB 117.0590 10.3370 16.9020 C.3 1 LEU -0.0101
48
+ 36 CG 117.9150 10.8360 18.0740 C.3 1 LEU -0.0425
49
+ 37 CD1 117.6610 12.3130 18.3200 C.3 1 LEU -0.0625
50
+ 38 CD2 117.5850 10.0290 19.3400 C.3 1 LEU -0.0625
51
+ 39 N 119.4180 12.1580 15.2940 N.am 1 LEU -0.2637
52
+ 40 CA 120.8480 12.3270 15.1320 C.3 1 LEU 0.1312
53
+ 41 C 121.5760 11.6200 16.2680 C.2 1 LEU 0.2033
54
+ 42 O 120.9920 11.3740 17.3190 O.2 1 LEU -0.3944
55
+ 43 CB 121.1920 13.8090 15.1530 C.3 1 LEU -0.0101
56
+ 44 CG 122.6730 14.1280 15.0410 C.3 1 LEU -0.0425
57
+ 45 CD1 123.1860 13.6230 13.7100 C.3 1 LEU -0.0625
58
+ 46 CD2 122.8910 15.6210 15.1750 C.3 1 LEU -0.0625
59
+ 47 N 122.8460 11.2900 16.0460 N.am 1 LYS -0.2695
60
+ 48 CA 123.6720 10.6220 17.0510 C.3 1 LYS 0.0944
61
+ 49 C 124.7760 11.5430 17.6180 C.2 1 LYS 0.0601
62
+ 50 O 125.9810 11.3070 17.3490 O.co2 1 LYS -0.5666
63
+ 51 CB 124.2770 9.3490 16.4510 C.3 1 LYS -0.0177
64
+ 52 CG 123.2780 8.2100 16.3320 C.3 1 LYS -0.0446
65
+ 53 CD 122.7930 7.7770 17.7190 C.3 1 LYS -0.0125
66
+ 54 CE 121.6250 6.7930 17.6470 C.3 1 LYS -0.0354
67
+ 55 NZ 121.9350 5.5360 16.9000 N.4 1 LYS 0.2185
68
+ 56 OXT 124.4100 12.5070 18.3390 O.co2 1 LYS -0.5666
69
+ 57 H1 105.8860 10.7165 6.3516 H 1 ASP 0.2016
70
+ 58 H2 106.3778 12.2749 6.5485 H 1 ASP 0.2016
71
+ 59 H3 106.1392 11.3147 7.8640 H 1 ASP 0.2016
72
+ 60 H4 107.9541 9.8716 7.2422 H 1 ASP 0.1117
73
+ 61 H5 107.6478 10.3850 4.7608 H 1 ASP 0.0512
74
+ 62 H6 109.3449 10.3693 5.3494 H 1 ASP 0.0512
75
+ 63 H7 110.0518 10.3165 8.0341 H 1 ASP 0.1886
76
+ 64 H8 110.9347 13.0353 8.5682 H 1 ASP 0.0819
77
+ 65 H9 109.8703 11.2737 10.8290 H 1 ASP 0.0478
78
+ 66 H10 109.2393 12.8728 10.3079 H 1 ASP 0.0478
79
+ 67 H11 113.1090 13.0857 9.2392 H 1 ILE 0.1883
80
+ 68 H12 114.6267 10.7084 8.5985 H 1 ILE 0.0803
81
+ 69 H13 115.4001 13.1095 8.1910 H 1 ILE 0.0345
82
+ 70 H14 116.9642 11.2281 8.0807 H 1 ILE 0.0267
83
+ 71 H15 117.1889 11.2786 9.8622 H 1 ILE 0.0267
84
+ 72 H16 114.7267 14.0438 10.3879 H 1 ILE 0.0235
85
+ 73 H17 116.4729 14.3081 10.0603 H 1 ILE 0.0235
86
+ 74 H18 115.9578 13.0158 11.1966 H 1 ILE 0.0235
87
+ 75 H19 119.1080 12.2898 8.6859 H 1 ILE 0.0230
88
+ 76 H20 118.2348 13.5154 9.6669 H 1 ILE 0.0230
89
+ 77 H21 118.0102 13.4648 7.8854 H 1 ILE 0.0230
90
+ 78 H22 116.4405 10.0176 10.2115 H 1 SER 0.1884
91
+ 79 H23 115.0554 9.1876 12.6688 H 1 SER 0.0823
92
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+ ATOM 2 CA PRO A 1 103.691 40.410 0.359 1.00 62.99 C
3
+ ATOM 3 CB PRO A 1 102.742 39.252 0.042 1.00 54.45 C
4
+ ATOM 4 CD PRO A 1 103.320 40.480 -1.976 1.00 52.11 C
5
+ ATOM 5 CG PRO A 1 102.586 39.283 -1.444 1.00 50.79 C
6
+ ATOM 6 N PRO A 1 103.829 41.096 -0.928 1.00 62.00 N
7
+ ATOM 7 O PRO A 1 105.844 39.379 0.131 1.00 58.77 O
8
+ ATOM 8 C GLU A 2 106.753 38.445 2.914 1.00 84.46 C
9
+ ATOM 9 CA GLU A 2 106.688 39.952 2.689 1.00 83.07 C
10
+ ATOM 10 CB GLU A 2 106.939 40.693 4.004 1.00 78.68 C
11
+ ATOM 11 CD GLU A 2 108.662 41.665 5.597 1.00 67.55 C
12
+ ATOM 12 CG GLU A 2 108.407 40.764 4.400 1.00 70.88 C
13
+ ATOM 13 N GLU A 2 105.404 40.346 2.115 1.00 83.08 N
14
+ ATOM 14 O GLU A 2 105.786 37.839 3.381 1.00 80.49 O
15
+ ATOM 15 OE1 GLU A 2 107.690 42.218 6.159 1.00 66.14 O
16
+ ATOM 16 OE2 GLU A 2 109.845 41.818 5.978 1.00 62.15 O
17
+ ATOM 17 C THR A 3 108.394 35.944 4.060 1.00 90.11 C
18
+ ATOM 18 CA THR A 3 108.005 36.329 2.634 1.00 88.88 C
19
+ ATOM 19 CB THR A 3 109.089 35.844 1.655 1.00 87.51 C
20
+ ATOM 20 CG2 THR A 3 108.772 36.274 0.227 1.00 84.25 C
21
+ ATOM 21 N THR A 3 107.799 37.769 2.526 1.00 88.05 N
22
+ ATOM 22 O THR A 3 108.796 36.799 4.850 1.00 89.80 O
23
+ ATOM 23 OG1 THR A 3 110.353 36.397 2.039 1.00 84.94 O
24
+ ATOM 24 C LEU A 4 110.109 34.495 5.926 1.00 92.37 C
25
+ ATOM 25 CA LEU A 4 108.624 34.204 5.743 1.00 92.05 C
26
+ ATOM 26 CB LEU A 4 108.371 32.698 5.843 1.00 90.77 C
27
+ ATOM 27 CD1 LEU A 4 106.789 30.764 6.054 1.00 79.24 C
28
+ ATOM 28 CD2 LEU A 4 106.618 32.701 7.640 1.00 79.46 C
29
+ ATOM 29 CG LEU A 4 106.949 32.272 6.215 1.00 85.80 C
30
+ ATOM 30 N LEU A 4 108.147 34.719 4.464 1.00 91.33 N
31
+ ATOM 31 O LEU A 4 110.544 34.870 7.017 1.00 91.99 O
32
+ ATOM 32 C GLU A 5 112.600 36.070 5.219 1.00 92.25 C
33
+ ATOM 33 CA GLU A 5 112.319 34.611 4.870 1.00 92.41 C
34
+ ATOM 34 CB GLU A 5 112.958 34.260 3.525 1.00 91.17 C
35
+ ATOM 35 CD GLU A 5 115.113 33.838 2.247 1.00 80.77 C
36
+ ATOM 36 CG GLU A 5 114.474 34.391 3.511 1.00 85.05 C
37
+ ATOM 37 N GLU A 5 110.885 34.342 4.843 1.00 92.41 N
38
+ ATOM 38 O GLU A 5 113.490 36.362 6.021 1.00 91.33 O
39
+ ATOM 39 OE1 GLU A 5 114.375 33.442 1.317 1.00 77.69 O
40
+ ATOM 40 OE2 GLU A 5 116.363 33.799 2.187 1.00 75.23 O
41
+ ATOM 41 C ALA A 6 111.728 38.645 6.374 1.00 92.80 C
42
+ ATOM 42 CA ALA A 6 112.076 38.352 4.916 1.00 92.60 C
43
+ ATOM 43 CB ALA A 6 111.227 39.216 3.986 1.00 91.67 C
44
+ ATOM 44 N ALA A 6 111.891 36.937 4.607 1.00 92.71 N
45
+ ATOM 45 O ALA A 6 112.443 39.386 7.052 1.00 92.20 O
46
+ ATOM 46 C ARG A 7 111.244 37.803 9.289 1.00 93.30 C
47
+ ATOM 47 CA ARG A 7 110.268 38.365 8.260 1.00 92.74 C
48
+ ATOM 48 CB ARG A 7 108.872 37.781 8.488 1.00 91.37 C
49
+ ATOM 49 CD ARG A 7 106.386 38.149 8.326 1.00 80.83 C
50
+ ATOM 50 CG ARG A 7 107.758 38.566 7.816 1.00 84.17 C
51
+ ATOM 51 CZ ARG A 7 104.790 40.019 8.061 1.00 72.38 C
52
+ ATOM 52 N ARG A 7 110.723 38.089 6.901 1.00 92.57 N
53
+ ATOM 53 NE ARG A 7 105.314 38.869 7.644 1.00 76.52 N
54
+ ATOM 54 NH1 ARG A 7 105.229 40.603 9.169 1.00 62.02 N
55
+ ATOM 55 NH2 ARG A 7 103.818 40.588 7.363 1.00 59.00 N
56
+ ATOM 56 O ARG A 7 111.525 38.447 10.302 1.00 92.98 O
57
+ ATOM 57 C ILE A 8 113.944 36.772 9.949 1.00 94.07 C
58
+ ATOM 58 CA ILE A 8 112.626 36.001 9.981 1.00 94.13 C
59
+ ATOM 59 CB ILE A 8 112.875 34.502 9.703 1.00 93.14 C
60
+ ATOM 60 CD1 ILE A 8 112.980 33.874 12.185 1.00 78.59 C
61
+ ATOM 61 CG1 ILE A 8 113.692 33.877 10.840 1.00 84.70 C
62
+ ATOM 62 CG2 ILE A 8 113.577 34.311 8.356 1.00 84.21 C
63
+ ATOM 63 N ILE A 8 111.696 36.576 9.014 1.00 93.80 N
64
+ ATOM 64 O ILE A 8 114.597 36.940 10.982 1.00 93.45 O
65
+ ATOM 65 C ASN A 9 115.420 39.419 9.488 1.00 93.74 C
66
+ ATOM 66 CA ASN A 9 115.568 38.122 8.700 1.00 93.96 C
67
+ ATOM 67 CB ASN A 9 115.907 38.424 7.238 1.00 93.17 C
68
+ ATOM 68 CG ASN A 9 116.482 37.225 6.512 1.00 89.89 C
69
+ ATOM 69 N ASN A 9 114.365 37.301 8.787 1.00 93.99 N
70
+ ATOM 70 ND2 ASN A 9 116.361 37.218 5.189 1.00 84.92 N
71
+ ATOM 71 O ASN A 9 116.355 39.850 10.165 1.00 93.01 O
72
+ ATOM 72 OD1 ASN A 9 117.030 36.310 7.134 1.00 85.39 O
73
+ ATOM 73 C ARG A 10 114.032 40.919 11.714 1.00 93.73 C
74
+ ATOM 74 CA ARG A 10 114.079 41.206 10.217 1.00 93.49 C
75
+ ATOM 75 CB ARG A 10 112.776 41.871 9.768 1.00 91.97 C
76
+ ATOM 76 CD ARG A 10 111.619 43.384 8.121 1.00 75.15 C
77
+ ATOM 77 CG ARG A 10 112.876 42.584 8.429 1.00 80.79 C
78
+ ATOM 78 CZ ARG A 10 110.730 44.760 6.268 1.00 66.38 C
79
+ ATOM 79 N ARG A 10 114.318 39.983 9.456 1.00 93.66 N
80
+ ATOM 80 NE ARG A 10 111.663 43.962 6.781 1.00 69.67 N
81
+ ATOM 81 NH1 ARG A 10 109.658 45.093 6.977 1.00 52.01 N
82
+ ATOM 82 NH2 ARG A 10 110.870 45.229 5.037 1.00 46.78 N
83
+ ATOM 83 O ARG A 10 114.619 41.655 12.511 1.00 93.11 O
84
+ ATOM 84 C ALA A 11 114.474 39.148 14.088 1.00 93.99 C
85
+ ATOM 85 CA ALA A 11 113.137 39.503 13.442 1.00 94.01 C
86
+ ATOM 86 CB ALA A 11 112.157 38.341 13.581 1.00 93.56 C
87
+ ATOM 87 N ALA A 11 113.312 39.857 12.036 1.00 93.82 N
88
+ ATOM 88 O ALA A 11 114.644 39.300 15.300 1.00 93.48 O
89
+ ATOM 89 C THR A 12 117.840 39.086 13.435 1.00 93.54 C
90
+ ATOM 90 CA THR A 12 116.667 38.199 13.843 1.00 94.35 C
91
+ ATOM 91 CB THR A 12 116.941 36.748 13.407 1.00 93.87 C
92
+ ATOM 92 CG2 THR A 12 115.814 35.820 13.848 1.00 92.69 C
93
+ ATOM 93 N THR A 12 115.420 38.697 13.272 1.00 94.26 N
94
+ ATOM 94 O THR A 12 118.999 38.680 13.544 1.00 91.85 O
95
+ ATOM 95 OG1 THR A 12 117.057 36.698 11.980 1.00 92.94 O
96
+ ATOM 96 C ASN A 13 119.514 41.497 13.621 1.00 92.98 C
97
+ ATOM 97 CA ASN A 13 118.600 41.101 12.466 1.00 93.23 C
98
+ ATOM 98 CB ASN A 13 117.967 42.345 11.838 1.00 92.45 C
99
+ ATOM 99 CG ASN A 13 118.992 43.270 11.214 1.00 90.13 C
100
+ ATOM 100 N ASN A 13 117.568 40.162 12.895 1.00 93.26 N
101
+ ATOM 101 ND2 ASN A 13 118.551 44.093 10.270 1.00 88.27 N
102
+ ATOM 102 O ASN A 13 119.047 42.019 14.636 1.00 92.15 O
103
+ ATOM 103 OD1 ASN A 13 120.171 43.245 11.578 1.00 88.17 O
104
+ ATOM 104 C PRO A 14 121.774 43.064 14.959 1.00 87.64 C
105
+ ATOM 105 CA PRO A 14 121.680 41.570 14.655 1.00 88.13 C
106
+ ATOM 106 CB PRO A 14 123.024 41.027 14.160 1.00 86.15 C
107
+ ATOM 107 CD PRO A 14 121.352 40.557 12.459 1.00 81.98 C
108
+ ATOM 108 CG PRO A 14 122.675 40.126 13.020 1.00 82.19 C
109
+ ATOM 109 N PRO A 14 120.768 41.275 13.546 1.00 88.49 N
110
+ ATOM 110 O PRO A 14 122.245 43.450 16.032 1.00 85.97 O
111
+ ATOM 111 C LEU A 15 120.201 45.807 15.069 1.00 88.94 C
112
+ ATOM 112 CA LEU A 15 121.380 45.332 14.225 1.00 89.11 C
113
+ ATOM 113 CB LEU A 15 121.399 46.077 12.888 1.00 87.73 C
114
+ ATOM 114 CD1 LEU A 15 122.460 46.584 10.674 1.00 80.06 C
115
+ ATOM 115 CD2 LEU A 15 123.899 46.201 12.695 1.00 79.95 C
116
+ ATOM 116 CG LEU A 15 122.605 45.817 11.985 1.00 83.91 C
117
+ ATOM 117 N LEU A 15 121.315 43.891 14.007 1.00 89.67 N
118
+ ATOM 118 O LEU A 15 120.162 46.965 15.493 1.00 87.47 O
119
+ ATOM 119 C ASN A 16 118.619 45.458 17.599 1.00 86.58 C
120
+ ATOM 120 CA ASN A 16 118.168 45.287 16.152 1.00 87.84 C
121
+ ATOM 121 CB ASN A 16 117.048 44.248 16.065 1.00 86.66 C
122
+ ATOM 122 CG ASN A 16 116.361 44.244 14.713 1.00 84.41 C
123
+ ATOM 123 N ASN A 16 119.280 44.914 15.284 1.00 88.08 N
124
+ ATOM 124 ND2 ASN A 16 115.613 43.183 14.432 1.00 82.39 N
125
+ ATOM 125 O ASN A 16 119.321 44.602 18.141 1.00 83.82 O
126
+ ATOM 126 OD1 ASN A 16 116.501 45.184 13.927 1.00 82.69 O
127
+ ATOM 127 C LYS A 17 117.606 46.162 20.595 1.00 84.36 C
128
+ ATOM 128 CA LYS A 17 118.611 46.836 19.665 1.00 84.74 C
129
+ ATOM 129 CB LYS A 17 118.669 48.337 19.956 1.00 81.68 C
130
+ ATOM 130 CD LYS A 17 119.860 50.530 19.641 1.00 69.74 C
131
+ ATOM 131 CE LYS A 17 121.010 51.251 18.949 1.00 61.78 C
132
+ ATOM 132 CG LYS A 17 119.798 49.063 19.240 1.00 73.10 C
133
+ ATOM 133 N LYS A 17 118.272 46.599 18.264 1.00 85.99 N
134
+ ATOM 134 NZ LYS A 17 121.074 52.692 19.338 1.00 56.28 N
135
+ ATOM 135 O LYS A 17 117.912 45.895 21.759 1.00 81.89 O
136
+ ATOM 136 C GLU A 18 114.675 44.254 19.949 1.00 90.87 C
137
+ ATOM 137 CA GLU A 18 115.429 45.276 20.796 1.00 90.17 C
138
+ ATOM 138 CB GLU A 18 114.463 46.346 21.312 1.00 87.96 C
139
+ ATOM 139 CD GLU A 18 114.138 48.414 22.752 1.00 75.74 C
140
+ ATOM 140 CG GLU A 18 115.112 47.367 22.234 1.00 79.54 C
141
+ ATOM 141 N GLU A 18 116.516 45.888 20.041 1.00 89.96 N
142
+ ATOM 142 O GLU A 18 114.821 44.227 18.725 1.00 90.15 O
143
+ ATOM 143 OE1 GLU A 18 112.960 48.407 22.329 1.00 74.05 O
144
+ ATOM 144 OE2 GLU A 18 114.557 49.246 23.586 1.00 71.00 O
145
+ ATOM 145 C LEU A 19 112.129 43.186 19.024 1.00 91.00 C
146
+ ATOM 146 CA LEU A 19 113.108 42.497 19.968 1.00 90.96 C
147
+ ATOM 147 CB LEU A 19 112.347 41.608 20.955 1.00 88.67 C
148
+ ATOM 148 CD1 LEU A 19 112.329 40.002 22.879 1.00 74.44 C
149
+ ATOM 149 CD2 LEU A 19 113.892 39.630 20.951 1.00 74.58 C
150
+ ATOM 150 CG LEU A 19 113.194 40.673 21.818 1.00 81.82 C
151
+ ATOM 151 N LEU A 19 113.918 43.478 20.684 1.00 90.48 N
152
+ ATOM 152 O LEU A 19 111.518 44.195 19.385 1.00 89.81 O
153
+ ATOM 153 C ASP A 20 109.833 42.414 16.886 1.00 92.66 C
154
+ ATOM 154 CA ASP A 20 111.115 43.244 16.862 1.00 92.49 C
155
+ ATOM 155 CB ASP A 20 111.727 43.226 15.460 1.00 91.72 C
156
+ ATOM 156 CG ASP A 20 110.856 43.914 14.423 1.00 89.94 C
157
+ ATOM 157 N ASP A 20 112.075 42.755 17.846 1.00 92.28 N
158
+ ATOM 158 O ASP A 20 109.633 41.547 16.033 1.00 91.83 O
159
+ ATOM 159 OD1 ASP A 20 109.706 44.286 14.743 1.00 88.01 O
160
+ ATOM 160 OD2 ASP A 20 111.323 44.084 13.277 1.00 86.52 O
161
+ ATOM 161 C TRP A 21 106.860 42.009 16.844 1.00 92.51 C
162
+ ATOM 162 CA TRP A 21 107.785 41.930 18.055 1.00 93.28 C
163
+ ATOM 163 CB TRP A 21 107.051 42.422 19.306 1.00 92.26 C
164
+ ATOM 164 CD1 TRP A 21 108.369 42.758 21.483 1.00 83.97 C
165
+ ATOM 165 CD2 TRP A 21 107.680 40.655 21.133 1.00 85.38 C
166
+ ATOM 166 CE2 TRP A 21 108.389 40.703 22.354 1.00 86.98 C
167
+ ATOM 167 CE3 TRP A 21 107.150 39.432 20.703 1.00 88.30 C
168
+ ATOM 168 CG TRP A 21 107.680 41.981 20.593 1.00 89.06 C
169
+ ATOM 169 CH2 TRP A 21 108.050 38.387 22.706 1.00 85.54 C
170
+ ATOM 170 CZ2 TRP A 21 108.580 39.571 23.150 1.00 86.94 C
171
+ ATOM 171 CZ3 TRP A 21 107.341 38.307 21.496 1.00 86.66 C
172
+ ATOM 172 N TRP A 21 109.000 42.707 17.834 1.00 92.71 N
173
+ ATOM 173 NE1 TRP A 21 108.798 41.995 22.544 1.00 88.51 N
174
+ ATOM 174 O TRP A 21 106.102 41.075 16.572 1.00 91.25 O
175
+ ATOM 175 C ALA A 22 106.504 42.148 13.931 1.00 92.50 C
176
+ ATOM 176 CA ALA A 22 106.110 43.214 14.950 1.00 92.19 C
177
+ ATOM 177 CB ALA A 22 106.251 44.606 14.340 1.00 91.15 C
178
+ ATOM 178 N ALA A 22 106.916 43.105 16.163 1.00 92.20 N
179
+ ATOM 179 O ALA A 22 105.641 41.479 13.358 1.00 91.89 O
180
+ ATOM 180 C SER A 23 108.059 39.579 13.304 1.00 93.60 C
181
+ ATOM 181 CA SER A 23 108.288 40.988 12.768 1.00 93.34 C
182
+ ATOM 182 CB SER A 23 109.776 41.197 12.482 1.00 92.74 C
183
+ ATOM 183 N SER A 23 107.800 41.996 13.703 1.00 93.03 N
184
+ ATOM 184 O SER A 23 107.721 38.668 12.545 1.00 93.24 O
185
+ ATOM 185 OG SER A 23 109.991 42.428 11.812 1.00 88.71 O
186
+ ATOM 186 C ILE A 24 106.527 37.641 15.110 1.00 93.81 C
187
+ ATOM 187 CA ILE A 24 107.988 38.061 15.254 1.00 93.95 C
188
+ ATOM 188 CB ILE A 24 108.399 38.070 16.743 1.00 93.48 C
189
+ ATOM 189 CD1 ILE A 24 110.365 38.559 18.313 1.00 90.38 C
190
+ ATOM 190 CG1 ILE A 24 109.904 38.324 16.880 1.00 92.61 C
191
+ ATOM 191 CG2 ILE A 24 108.002 36.755 17.421 1.00 92.33 C
192
+ ATOM 192 N ILE A 24 108.188 39.368 14.638 1.00 93.66 N
193
+ ATOM 193 O ILE A 24 106.236 36.519 14.687 1.00 93.29 O
194
+ ATOM 194 C ASN A 25 103.792 38.081 13.808 1.00 92.94 C
195
+ ATOM 195 CA ASN A 25 104.206 38.272 15.264 1.00 93.28 C
196
+ ATOM 196 CB ASN A 25 103.371 39.378 15.912 1.00 92.33 C
197
+ ATOM 197 CG ASN A 25 103.508 39.403 17.422 1.00 87.98 C
198
+ ATOM 198 N ASN A 25 105.629 38.570 15.381 1.00 93.37 N
199
+ ATOM 199 ND2 ASN A 25 103.285 40.568 18.018 1.00 82.42 N
200
+ ATOM 200 O ASN A 25 102.942 37.242 13.504 1.00 91.97 O
201
+ ATOM 201 OD1 ASN A 25 103.812 38.384 18.047 1.00 82.85 O
202
+ ATOM 202 C GLY A 26 104.541 37.349 11.047 1.00 92.72 C
203
+ ATOM 203 CA GLY A 26 104.109 38.712 11.556 1.00 92.36 C
204
+ ATOM 204 N GLY A 26 104.353 38.897 12.977 1.00 92.40 N
205
+ ATOM 205 O GLY A 26 103.856 36.743 10.221 1.00 92.16 O
206
+ ATOM 206 C PHE A 27 105.194 34.448 11.600 1.00 94.00 C
207
+ ATOM 207 CA PHE A 27 106.178 35.522 11.150 1.00 94.16 C
208
+ ATOM 208 CB PHE A 27 107.555 35.265 11.771 1.00 93.93 C
209
+ ATOM 209 CD1 PHE A 27 108.913 33.899 10.152 1.00 92.84 C
210
+ ATOM 210 CD2 PHE A 27 108.054 32.825 12.108 1.00 92.55 C
211
+ ATOM 211 CE1 PHE A 27 109.498 32.702 9.745 1.00 92.18 C
212
+ ATOM 212 CE2 PHE A 27 108.636 31.625 11.708 1.00 92.29 C
213
+ ATOM 213 CG PHE A 27 108.187 33.970 11.334 1.00 93.71 C
214
+ ATOM 214 CZ PHE A 27 109.357 31.566 10.525 1.00 91.73 C
215
+ ATOM 215 N PHE A 27 105.695 36.851 11.506 1.00 93.89 N
216
+ ATOM 216 O PHE A 27 104.847 33.553 10.827 1.00 93.49 O
217
+ ATOM 217 C CYS A 28 102.421 33.598 12.591 1.00 93.16 C
218
+ ATOM 218 CA CYS A 28 103.709 33.618 13.404 1.00 93.89 C
219
+ ATOM 219 CB CYS A 28 103.400 33.967 14.860 1.00 92.78 C
220
+ ATOM 220 N CYS A 28 104.665 34.567 12.843 1.00 94.01 N
221
+ ATOM 221 O CYS A 28 101.873 32.529 12.315 1.00 91.75 O
222
+ ATOM 222 SG CYS A 28 104.773 33.656 15.990 1.00 87.18 S
223
+ ATOM 223 C GLU A 29 100.931 34.221 10.007 1.00 91.92 C
224
+ ATOM 224 CA GLU A 29 100.765 34.824 11.399 1.00 92.08 C
225
+ ATOM 225 CB GLU A 29 100.319 36.284 11.290 1.00 90.59 C
226
+ ATOM 226 CD GLU A 29 99.569 38.370 12.531 1.00 77.55 C
227
+ ATOM 227 CG GLU A 29 99.808 36.870 12.598 1.00 82.22 C
228
+ ATOM 228 N GLU A 29 102.001 34.720 12.169 1.00 92.51 N
229
+ ATOM 229 O GLU A 29 100.061 33.486 9.536 1.00 90.81 O
230
+ ATOM 230 OE1 GLU A 29 99.690 38.955 11.431 1.00 73.04 O
231
+ ATOM 231 OE2 GLU A 29 99.258 38.965 13.587 1.00 70.75 O
232
+ ATOM 232 C GLN A 30 102.462 32.573 7.966 1.00 91.73 C
233
+ ATOM 233 CA GLN A 30 102.247 34.080 8.076 1.00 91.61 C
234
+ ATOM 234 CB GLN A 30 103.455 34.825 7.503 1.00 90.37 C
235
+ ATOM 235 CD GLN A 30 104.713 35.533 5.424 1.00 79.86 C
236
+ ATOM 236 CG GLN A 30 103.648 34.623 6.006 1.00 84.19 C
237
+ ATOM 237 N GLN A 30 102.008 34.479 9.459 1.00 91.77 N
238
+ ATOM 238 NE2 GLN A 30 104.758 35.621 4.099 1.00 74.05 N
239
+ ATOM 239 O GLN A 30 102.017 31.946 7.003 1.00 90.88 O
240
+ ATOM 240 OE1 GLN A 30 105.489 36.152 6.160 1.00 76.86 O
241
+ ATOM 241 C LEU A 31 102.265 29.764 8.829 1.00 90.70 C
242
+ ATOM 242 CA LEU A 31 103.547 30.588 8.792 1.00 91.52 C
243
+ ATOM 243 CB LEU A 31 104.483 30.149 9.921 1.00 90.12 C
244
+ ATOM 244 CD1 LEU A 31 103.182 28.720 11.520 1.00 77.48 C
245
+ ATOM 245 CD2 LEU A 31 104.932 30.295 12.387 1.00 77.20 C
246
+ ATOM 246 CG LEU A 31 103.867 30.067 11.320 1.00 84.75 C
247
+ ATOM 247 N LEU A 31 103.252 32.014 8.899 1.00 91.80 N
248
+ ATOM 248 O LEU A 31 102.233 28.636 8.330 1.00 88.44 O
249
+ ATOM 249 C ASN A 32 98.974 29.876 8.272 1.00 87.96 C
250
+ ATOM 250 CA ASN A 32 99.874 29.652 9.483 1.00 89.04 C
251
+ ATOM 251 CB ASN A 32 99.154 30.076 10.764 1.00 87.15 C
252
+ ATOM 252 CG ASN A 32 99.800 29.507 12.013 1.00 82.14 C
253
+ ATOM 253 N ASN A 32 101.141 30.362 9.348 1.00 89.70 N
254
+ ATOM 254 ND2 ASN A 32 99.962 30.344 13.031 1.00 76.06 N
255
+ ATOM 255 O ASN A 32 97.864 29.344 8.210 1.00 85.05 O
256
+ ATOM 256 OD1 ASN A 32 100.151 28.325 12.061 1.00 77.19 O
257
+ ATOM 257 C GLU A 33 98.377 29.902 5.145 1.00 87.19 C
258
+ ATOM 258 CA GLU A 33 98.483 31.041 6.155 1.00 87.82 C
259
+ ATOM 259 CB GLU A 33 99.011 32.304 5.471 1.00 86.07 C
260
+ ATOM 260 CD GLU A 33 99.325 34.822 5.586 1.00 76.76 C
261
+ ATOM 261 CG GLU A 33 98.832 33.571 6.295 1.00 79.88 C
262
+ ATOM 262 N GLU A 33 99.336 30.671 7.280 1.00 88.60 N
263
+ ATOM 263 O GLU A 33 97.357 29.758 4.467 1.00 84.79 O
264
+ ATOM 264 OE1 GLU A 33 99.830 34.715 4.446 1.00 73.26 O
265
+ ATOM 265 OE2 GLU A 33 99.207 35.919 6.177 1.00 71.68 O
266
+ ATOM 266 C ASP A 34 100.039 26.741 4.728 1.00 86.11 C
267
+ ATOM 267 CA ASP A 34 99.419 28.001 4.128 1.00 85.00 C
268
+ ATOM 268 CB ASP A 34 100.155 28.389 2.845 1.00 81.66 C
269
+ ATOM 269 CG ASP A 34 101.622 28.707 3.075 1.00 71.98 C
270
+ ATOM 270 N ASP A 34 99.442 29.103 5.085 1.00 85.02 N
271
+ ATOM 271 O ASP A 34 100.718 26.805 5.755 1.00 84.54 O
272
+ ATOM 272 OD1 ASP A 34 102.295 27.970 3.828 1.00 65.66 O
273
+ ATOM 273 OD2 ASP A 34 102.109 29.706 2.501 1.00 68.11 O
274
+ ATOM 274 C PHE A 35 101.699 24.182 4.467 1.00 86.80 C
275
+ ATOM 275 CA PHE A 35 100.182 24.317 4.456 1.00 86.85 C
276
+ ATOM 276 CB PHE A 35 99.563 23.221 3.582 1.00 83.12 C
277
+ ATOM 277 CD1 PHE A 35 100.721 20.987 3.599 1.00 66.42 C
278
+ ATOM 278 CD2 PHE A 35 98.960 21.368 5.171 1.00 67.65 C
279
+ ATOM 279 CE1 PHE A 35 100.898 19.700 4.102 1.00 62.48 C
280
+ ATOM 280 CE2 PHE A 35 99.132 20.084 5.679 1.00 63.10 C
281
+ ATOM 281 CG PHE A 35 99.752 21.831 4.128 1.00 73.56 C
282
+ ATOM 282 CZ PHE A 35 100.100 19.251 5.143 1.00 62.76 C
283
+ ATOM 283 N PHE A 35 99.782 25.637 3.980 1.00 86.35 N
284
+ ATOM 284 O PHE A 35 102.256 23.459 5.296 1.00 84.69 O
285
+ ATOM 285 C GLU A 36 104.534 25.717 4.460 1.00 89.93 C
286
+ ATOM 286 CA GLU A 36 103.825 24.755 3.510 1.00 89.27 C
287
+ ATOM 287 CB GLU A 36 104.269 25.017 2.069 1.00 86.65 C
288
+ ATOM 288 CD GLU A 36 104.442 22.568 1.415 1.00 72.61 C
289
+ ATOM 289 CG GLU A 36 103.850 23.930 1.089 1.00 77.06 C
290
+ ATOM 290 N GLU A 36 102.374 24.868 3.629 1.00 89.11 N
291
+ ATOM 291 O GLU A 36 105.764 25.725 4.540 1.00 88.71 O
292
+ ATOM 292 OE1 GLU A 36 105.625 22.502 1.821 1.00 68.75 O
293
+ ATOM 293 OE2 GLU A 36 103.718 21.559 1.263 1.00 65.62 O
294
+ ATOM 294 C GLY A 37 105.112 26.914 7.145 1.00 93.08 C
295
+ ATOM 295 CA GLY A 37 104.311 27.510 6.002 1.00 92.40 C
296
+ ATOM 296 N GLY A 37 103.764 26.506 5.103 1.00 91.98 N
297
+ ATOM 297 O GLY A 37 106.298 27.211 7.300 1.00 92.76 O
298
+ ATOM 298 C PRO A 38 106.499 24.722 8.623 1.00 93.14 C
299
+ ATOM 299 CA PRO A 38 105.211 25.457 8.989 1.00 93.20 C
300
+ ATOM 300 CB PRO A 38 104.185 24.494 9.591 1.00 92.38 C
301
+ ATOM 301 CD PRO A 38 102.923 25.687 7.888 1.00 89.68 C
302
+ ATOM 302 CG PRO A 38 102.857 25.101 9.268 1.00 90.85 C
303
+ ATOM 303 N PRO A 38 104.518 26.002 7.820 1.00 92.82 N
304
+ ATOM 304 O PRO A 38 107.537 24.938 9.252 1.00 92.49 O
305
+ ATOM 305 C PRO A 39 108.900 24.274 6.828 1.00 92.86 C
306
+ ATOM 306 CA PRO A 39 107.860 23.240 7.255 1.00 92.88 C
307
+ ATOM 307 CB PRO A 39 107.499 22.315 6.089 1.00 91.73 C
308
+ ATOM 308 CD PRO A 39 105.405 23.259 6.887 1.00 86.60 C
309
+ ATOM 309 CG PRO A 39 106.036 22.057 6.245 1.00 87.88 C
310
+ ATOM 310 N PRO A 39 106.576 23.844 7.616 1.00 92.71 N
311
+ ATOM 311 O PRO A 39 110.075 24.157 7.186 1.00 92.23 O
312
+ ATOM 312 C LEU A 40 109.911 27.055 6.858 1.00 93.97 C
313
+ ATOM 313 CA LEU A 40 109.403 26.264 5.658 1.00 93.63 C
314
+ ATOM 314 CB LEU A 40 108.735 27.207 4.655 1.00 92.67 C
315
+ ATOM 315 CD1 LEU A 40 110.861 27.856 3.495 1.00 80.12 C
316
+ ATOM 316 CD2 LEU A 40 108.788 29.236 3.176 1.00 79.72 C
317
+ ATOM 317 CG LEU A 40 109.585 28.374 4.151 1.00 87.78 C
318
+ ATOM 318 N LEU A 40 108.473 25.221 6.077 1.00 93.48 N
319
+ ATOM 319 O LEU A 40 111.098 27.380 6.935 1.00 93.61 O
320
+ ATOM 320 C ALA A 41 110.447 27.383 9.812 1.00 95.12 C
321
+ ATOM 321 CA ALA A 41 109.386 28.123 9.001 1.00 95.01 C
322
+ ATOM 322 CB ALA A 41 108.154 28.390 9.862 1.00 94.45 C
323
+ ATOM 323 N ALA A 41 109.018 27.369 7.805 1.00 94.76 N
324
+ ATOM 324 O ALA A 41 111.411 27.990 10.283 1.00 94.85 O
325
+ ATOM 325 C THR A 42 112.617 25.287 10.102 1.00 95.23 C
326
+ ATOM 326 CA THR A 42 111.256 25.314 10.793 1.00 95.43 C
327
+ ATOM 327 CB THR A 42 110.780 23.872 11.052 1.00 94.66 C
328
+ ATOM 328 CG2 THR A 42 109.548 23.853 11.948 1.00 87.51 C
329
+ ATOM 329 N THR A 42 110.286 26.056 9.996 1.00 95.36 N
330
+ ATOM 330 O THR A 42 113.656 25.349 10.763 1.00 94.62 O
331
+ ATOM 331 OG1 THR A 42 110.458 23.251 9.802 1.00 87.31 O
332
+ ATOM 332 C ARG A 43 114.608 26.648 8.225 1.00 95.22 C
333
+ ATOM 333 CA ARG A 43 113.916 25.300 8.055 1.00 95.04 C
334
+ ATOM 334 CB ARG A 43 113.698 25.007 6.568 1.00 93.65 C
335
+ ATOM 335 CD ARG A 43 113.470 23.253 4.775 1.00 74.91 C
336
+ ATOM 336 CG ARG A 43 113.392 23.549 6.267 1.00 80.94 C
337
+ ATOM 337 CZ ARG A 43 111.823 23.514 2.949 1.00 65.56 C
338
+ ATOM 338 N ARG A 43 112.647 25.268 8.776 1.00 95.03 N
339
+ ATOM 339 NE ARG A 43 112.445 23.979 4.029 1.00 70.17 N
340
+ ATOM 340 NH1 ARG A 43 112.111 22.311 2.465 1.00 52.26 N
341
+ ATOM 341 NH2 ARG A 43 110.906 24.257 2.347 1.00 46.33 N
342
+ ATOM 342 O ARG A 43 115.818 26.706 8.460 1.00 94.86 O
343
+ ATOM 343 C LEU A 44 114.868 29.257 9.628 1.00 95.64 C
344
+ ATOM 344 CA LEU A 44 114.363 29.028 8.208 1.00 95.56 C
345
+ ATOM 345 CB LEU A 44 113.311 30.082 7.851 1.00 95.15 C
346
+ ATOM 346 CD1 LEU A 44 111.689 31.078 6.221 1.00 90.34 C
347
+ ATOM 347 CD2 LEU A 44 114.039 30.573 5.500 1.00 90.03 C
348
+ ATOM 348 CG LEU A 44 112.877 30.137 6.385 1.00 93.68 C
349
+ ATOM 349 N LEU A 44 113.811 27.685 8.064 1.00 95.39 N
350
+ ATOM 350 O LEU A 44 115.948 29.820 9.824 1.00 95.43 O
351
+ ATOM 351 C LEU A 45 115.784 28.165 12.318 1.00 96.34 C
352
+ ATOM 352 CA LEU A 45 114.523 28.966 12.011 1.00 96.35 C
353
+ ATOM 353 CB LEU A 45 113.385 28.519 12.932 1.00 96.08 C
354
+ ATOM 354 CD1 LEU A 45 111.015 28.784 13.706 1.00 92.52 C
355
+ ATOM 355 CD2 LEU A 45 112.625 30.698 13.921 1.00 92.19 C
356
+ ATOM 356 CG LEU A 45 112.214 29.491 13.083 1.00 95.07 C
357
+ ATOM 357 N LEU A 45 114.139 28.815 10.612 1.00 96.26 N
358
+ ATOM 358 O LEU A 45 116.681 28.652 13.012 1.00 96.11 O
359
+ ATOM 359 C ALA A 46 118.296 26.819 11.513 1.00 96.14 C
360
+ ATOM 360 CA ALA A 46 117.041 26.110 12.018 1.00 96.28 C
361
+ ATOM 361 CB ALA A 46 116.893 24.751 11.338 1.00 95.76 C
362
+ ATOM 362 N ALA A 46 115.851 26.926 11.792 1.00 96.31 N
363
+ ATOM 363 O ALA A 46 119.326 26.829 12.191 1.00 95.71 O
364
+ ATOM 364 C HIS A 47 119.721 29.291 10.697 1.00 95.47 C
365
+ ATOM 365 CA HIS A 47 119.284 28.148 9.787 1.00 95.43 C
366
+ ATOM 366 CB HIS A 47 118.930 28.687 8.400 1.00 94.47 C
367
+ ATOM 367 CD2 HIS A 47 120.129 30.822 7.544 1.00 73.43 C
368
+ ATOM 368 CE1 HIS A 47 121.958 29.872 6.795 1.00 71.95 C
369
+ ATOM 369 CG HIS A 47 120.023 29.491 7.772 1.00 86.60 C
370
+ ATOM 370 N HIS A 47 118.154 27.423 10.358 1.00 95.45 N
371
+ ATOM 371 ND1 HIS A 47 121.183 28.923 7.292 1.00 68.75 N
372
+ ATOM 372 NE2 HIS A 47 121.342 31.033 6.936 1.00 70.10 N
373
+ ATOM 373 O HIS A 47 120.909 29.432 10.996 1.00 95.02 O
374
+ ATOM 374 C LYS A 48 119.655 30.795 13.413 1.00 95.57 C
375
+ ATOM 375 CA LYS A 48 119.142 31.226 12.041 1.00 95.56 C
376
+ ATOM 376 CB LYS A 48 117.919 32.129 12.199 1.00 95.07 C
377
+ ATOM 377 CD LYS A 48 118.538 33.910 10.532 1.00 89.80 C
378
+ ATOM 378 CE LYS A 48 118.084 34.703 9.313 1.00 86.33 C
379
+ ATOM 379 CG LYS A 48 117.514 32.852 10.923 1.00 93.08 C
380
+ ATOM 380 N LYS A 48 118.822 30.068 11.211 1.00 95.49 N
381
+ ATOM 381 NZ LYS A 48 119.036 35.808 8.986 1.00 79.27 N
382
+ ATOM 382 O LYS A 48 120.512 31.459 13.998 1.00 95.23 O
383
+ ATOM 383 C ILE A 49 121.011 28.719 15.175 1.00 95.74 C
384
+ ATOM 384 CA ILE A 49 119.559 29.191 15.227 1.00 96.12 C
385
+ ATOM 385 CB ILE A 49 118.641 28.046 15.709 1.00 95.86 C
386
+ ATOM 386 CD1 ILE A 49 116.199 27.522 16.282 1.00 93.18 C
387
+ ATOM 387 CG1 ILE A 49 117.263 28.595 16.095 1.00 94.75 C
388
+ ATOM 388 CG2 ILE A 49 119.281 27.298 16.882 1.00 94.51 C
389
+ ATOM 389 N ILE A 49 119.155 29.684 13.914 1.00 96.09 N
390
+ ATOM 390 O ILE A 49 121.741 28.830 16.163 1.00 95.00 O
391
+ ATOM 391 C GLN A 50 123.810 28.895 13.577 1.00 94.75 C
392
+ ATOM 392 CA GLN A 50 122.821 27.769 13.867 1.00 95.22 C
393
+ ATOM 393 CB GLN A 50 122.875 26.723 12.753 1.00 94.26 C
394
+ ATOM 394 CD GLN A 50 122.156 24.434 11.947 1.00 85.15 C
395
+ ATOM 395 CG GLN A 50 122.182 25.413 13.104 1.00 89.83 C
396
+ ATOM 396 N GLN A 50 121.465 28.287 14.020 1.00 95.27 N
397
+ ATOM 397 NE2 GLN A 50 121.352 23.384 12.076 1.00 82.01 N
398
+ ATOM 398 O GLN A 50 125.003 28.648 13.394 1.00 93.60 O
399
+ ATOM 399 OE1 GLN A 50 122.854 24.618 10.944 1.00 83.30 O
400
+ ATOM 400 C SER A 51 125.285 31.381 14.325 1.00 93.29 C
401
+ ATOM 401 CA SER A 51 124.175 31.266 13.285 1.00 93.54 C
402
+ ATOM 402 CB SER A 51 123.354 32.556 13.260 1.00 92.79 C
403
+ ATOM 403 N SER A 51 123.317 30.117 13.554 1.00 93.59 N
404
+ ATOM 404 O SER A 51 125.049 31.176 15.517 1.00 92.45 O
405
+ ATOM 405 OG SER A 51 124.201 33.690 13.203 1.00 89.80 O
406
+ ATOM 406 C PRO A 52 127.293 33.317 15.646 1.00 91.46 C
407
+ ATOM 407 CA PRO A 52 127.534 32.036 14.852 1.00 91.73 C
408
+ ATOM 408 CB PRO A 52 128.785 32.164 13.977 1.00 90.50 C
409
+ ATOM 409 CD PRO A 52 126.917 31.927 12.438 1.00 86.58 C
410
+ ATOM 410 CG PRO A 52 128.270 32.550 12.628 1.00 87.54 C
411
+ ATOM 411 N PRO A 52 126.472 31.762 13.882 1.00 91.77 N
412
+ ATOM 412 O PRO A 52 127.933 33.538 16.678 1.00 90.41 O
413
+ ATOM 413 C GLN A 53 125.090 35.068 17.040 1.00 93.46 C
414
+ ATOM 414 CA GLN A 53 126.097 35.367 15.934 1.00 92.90 C
415
+ ATOM 415 CB GLN A 53 125.535 36.428 14.985 1.00 90.83 C
416
+ ATOM 416 CD GLN A 53 125.939 37.929 12.988 1.00 73.43 C
417
+ ATOM 417 CG GLN A 53 126.527 36.892 13.927 1.00 78.70 C
418
+ ATOM 418 N GLN A 53 126.448 34.157 15.200 1.00 92.89 N
419
+ ATOM 419 NE2 GLN A 53 126.354 37.891 11.726 1.00 63.46 N
420
+ ATOM 420 O GLN A 53 123.931 34.750 16.762 1.00 92.92 O
421
+ ATOM 421 OE1 GLN A 53 125.118 38.758 13.392 1.00 69.32 O
422
+ ATOM 422 C GLU A 54 123.369 35.715 19.364 1.00 93.83 C
423
+ ATOM 423 CA GLU A 54 124.715 34.996 19.381 1.00 93.94 C
424
+ ATOM 424 CB GLU A 54 125.472 35.328 20.670 1.00 93.21 C
425
+ ATOM 425 CD GLU A 54 125.542 35.145 23.203 1.00 90.13 C
426
+ ATOM 426 CG GLU A 54 124.716 34.964 21.939 1.00 91.33 C
427
+ ATOM 427 N GLU A 54 125.515 35.345 18.212 1.00 93.67 N
428
+ ATOM 428 O GLU A 54 122.332 35.106 19.637 1.00 93.33 O
429
+ ATOM 429 OE1 GLU A 54 126.211 34.178 23.636 1.00 88.70 O
430
+ ATOM 430 OE2 GLU A 54 125.521 36.262 23.765 1.00 89.26 O
431
+ ATOM 431 C TRP A 55 121.150 37.081 18.013 1.00 93.18 C
432
+ ATOM 432 CA TRP A 55 122.128 37.693 19.010 1.00 93.04 C
433
+ ATOM 433 CB TRP A 55 122.403 39.154 18.645 1.00 91.45 C
434
+ ATOM 434 CD1 TRP A 55 120.453 40.214 17.356 1.00 69.60 C
435
+ ATOM 435 CD2 TRP A 55 120.500 40.714 19.539 1.00 71.03 C
436
+ ATOM 436 CE2 TRP A 55 119.388 41.357 18.952 1.00 69.60 C
437
+ ATOM 437 CE3 TRP A 55 120.735 40.883 20.909 1.00 75.26 C
438
+ ATOM 438 CG TRP A 55 121.166 39.988 18.501 1.00 80.57 C
439
+ ATOM 439 CH2 TRP A 55 118.764 42.305 21.029 1.00 72.64 C
440
+ ATOM 440 CZ2 TRP A 55 118.512 42.156 19.690 1.00 80.26 C
441
+ ATOM 441 CZ3 TRP A 55 119.862 41.678 21.643 1.00 71.96 C
442
+ ATOM 442 N TRP A 55 123.372 36.931 19.052 1.00 92.76 N
443
+ ATOM 443 NE1 TRP A 55 119.382 41.035 17.621 1.00 83.60 N
444
+ ATOM 444 O TRP A 55 119.959 36.944 18.306 1.00 92.44 O
445
+ ATOM 445 C GLU A 56 120.208 34.895 16.316 1.00 94.89 C
446
+ ATOM 446 CA GLU A 56 120.793 36.234 15.874 1.00 94.59 C
447
+ ATOM 447 CB GLU A 56 121.564 36.064 14.562 1.00 93.56 C
448
+ ATOM 448 CD GLU A 56 121.438 35.676 12.055 1.00 83.23 C
449
+ ATOM 449 CG GLU A 56 120.683 35.707 13.374 1.00 87.67 C
450
+ ATOM 450 N GLU A 56 121.657 36.799 16.907 1.00 94.35 N
451
+ ATOM 451 O GLU A 56 119.013 34.646 16.141 1.00 94.64 O
452
+ ATOM 452 OE1 GLU A 56 122.664 35.417 12.062 1.00 81.57 O
453
+ ATOM 453 OE2 GLU A 56 120.800 35.912 11.005 1.00 79.76 O
454
+ ATOM 454 C ALA A 57 119.542 32.909 18.453 1.00 95.78 C
455
+ ATOM 455 CA ALA A 57 120.568 32.763 17.333 1.00 95.76 C
456
+ ATOM 456 CB ALA A 57 121.756 31.931 17.810 1.00 95.39 C
457
+ ATOM 457 N ALA A 57 121.019 34.069 16.859 1.00 95.57 N
458
+ ATOM 458 O ALA A 57 118.524 32.213 18.464 1.00 95.56 O
459
+ ATOM 459 C ILE A 58 117.555 34.591 20.039 1.00 95.46 C
460
+ ATOM 460 CA ILE A 58 118.890 34.045 20.538 1.00 95.57 C
461
+ ATOM 461 CB ILE A 58 119.503 35.003 21.584 1.00 94.97 C
462
+ ATOM 462 CD1 ILE A 58 120.233 33.154 23.200 1.00 86.38 C
463
+ ATOM 463 CG1 ILE A 58 120.662 34.320 22.321 1.00 91.59 C
464
+ ATOM 464 CG2 ILE A 58 118.434 35.482 22.570 1.00 91.34 C
465
+ ATOM 465 N ILE A 58 119.792 33.839 19.410 1.00 95.55 N
466
+ ATOM 466 O ILE A 58 116.492 34.168 20.501 1.00 95.03 O
467
+ ATOM 467 C GLN A 59 115.599 34.905 17.778 1.00 95.49 C
468
+ ATOM 468 CA GLN A 59 116.375 35.971 18.547 1.00 95.33 C
469
+ ATOM 469 CB GLN A 59 116.657 37.170 17.641 1.00 94.22 C
470
+ ATOM 470 CD GLN A 59 116.432 38.732 19.621 1.00 76.11 C
471
+ ATOM 471 CG GLN A 59 117.225 38.376 18.376 1.00 84.03 C
472
+ ATOM 472 N GLN A 59 117.619 35.430 19.083 1.00 95.27 N
473
+ ATOM 473 NE2 GLN A 59 117.130 39.172 20.663 1.00 64.15 N
474
+ ATOM 474 O GLN A 59 114.370 34.838 17.868 1.00 95.15 O
475
+ ATOM 475 OE1 GLN A 59 115.203 38.615 19.644 1.00 72.57 O
476
+ ATOM 476 C ALA A 60 114.961 32.051 17.330 1.00 96.25 C
477
+ ATOM 477 CA ALA A 60 115.649 32.994 16.346 1.00 96.19 C
478
+ ATOM 478 CB ALA A 60 116.660 32.226 15.497 1.00 95.86 C
479
+ ATOM 479 N ALA A 60 116.303 34.096 17.045 1.00 96.07 N
480
+ ATOM 480 O ALA A 60 113.849 31.582 17.076 1.00 96.09 O
481
+ ATOM 481 C LEU A 61 113.772 31.626 20.128 1.00 96.41 C
482
+ ATOM 482 CA LEU A 61 114.978 30.939 19.495 1.00 96.57 C
483
+ ATOM 483 CB LEU A 61 116.009 30.596 20.572 1.00 96.36 C
484
+ ATOM 484 CD1 LEU A 61 118.202 29.576 21.233 1.00 93.97 C
485
+ ATOM 485 CD2 LEU A 61 116.539 28.229 19.923 1.00 93.54 C
486
+ ATOM 486 CG LEU A 61 117.114 29.620 20.165 1.00 95.70 C
487
+ ATOM 487 N LEU A 61 115.575 31.785 18.466 1.00 96.56 N
488
+ ATOM 488 O LEU A 61 112.813 30.962 20.527 1.00 96.06 O
489
+ ATOM 489 C THR A 62 111.484 33.565 19.743 1.00 95.79 C
490
+ ATOM 490 CA THR A 62 112.658 33.681 20.711 1.00 95.83 C
491
+ ATOM 491 CB THR A 62 113.014 35.166 20.914 1.00 95.27 C
492
+ ATOM 492 CG2 THR A 62 111.800 35.964 21.381 1.00 91.22 C
493
+ ATOM 493 N THR A 62 113.806 32.925 20.224 1.00 95.85 N
494
+ ATOM 494 O THR A 62 110.342 33.376 20.165 1.00 95.42 O
495
+ ATOM 495 OG1 THR A 62 114.050 35.273 21.898 1.00 89.90 O
496
+ ATOM 496 C VAL A 63 110.179 32.055 17.541 1.00 95.89 C
497
+ ATOM 497 CA VAL A 63 110.760 33.464 17.438 1.00 95.86 C
498
+ ATOM 498 CB VAL A 63 111.307 33.712 16.015 1.00 95.47 C
499
+ ATOM 499 CG1 VAL A 63 110.238 33.416 14.965 1.00 93.55 C
500
+ ATOM 500 CG2 VAL A 63 111.809 35.148 15.880 1.00 93.28 C
501
+ ATOM 501 N VAL A 63 111.794 33.645 18.451 1.00 95.75 N
502
+ ATOM 502 O VAL A 63 108.959 31.877 17.526 1.00 95.65 O
503
+ ATOM 503 C LEU A 64 109.733 29.518 19.025 1.00 96.35 C
504
+ ATOM 504 CA LEU A 64 110.630 29.697 17.806 1.00 96.52 C
505
+ ATOM 505 CB LEU A 64 111.846 28.772 17.911 1.00 96.28 C
506
+ ATOM 506 CD1 LEU A 64 110.724 26.701 17.053 1.00 92.18 C
507
+ ATOM 507 CD2 LEU A 64 112.852 26.518 18.370 1.00 91.63 C
508
+ ATOM 508 CG LEU A 64 111.553 27.296 18.186 1.00 95.16 C
509
+ ATOM 509 N LEU A 64 111.055 31.086 17.672 1.00 96.54 N
510
+ ATOM 510 O LEU A 64 108.675 28.890 18.936 1.00 95.91 O
511
+ ATOM 511 C GLU A 65 107.954 30.584 21.165 1.00 95.57 C
512
+ ATOM 512 CA GLU A 65 109.327 29.942 21.342 1.00 95.91 C
513
+ ATOM 513 CB GLU A 65 110.066 30.596 22.513 1.00 95.27 C
514
+ ATOM 514 CD GLU A 65 110.145 31.020 25.015 1.00 86.86 C
515
+ ATOM 515 CG GLU A 65 109.358 30.443 23.850 1.00 91.10 C
516
+ ATOM 516 N GLU A 65 110.116 30.037 20.118 1.00 96.03 N
517
+ ATOM 517 O GLU A 65 106.941 30.026 21.591 1.00 94.84 O
518
+ ATOM 518 OE1 GLU A 65 111.125 31.762 24.778 1.00 85.72 O
519
+ ATOM 519 OE2 GLU A 65 109.780 30.727 26.176 1.00 85.76 O
520
+ ATOM 520 C THR A 66 105.759 31.582 19.385 1.00 95.22 C
521
+ ATOM 521 CA THR A 66 106.667 32.398 20.301 1.00 95.37 C
522
+ ATOM 522 CB THR A 66 106.907 33.788 19.683 1.00 94.70 C
523
+ ATOM 523 CG2 THR A 66 105.591 34.526 19.459 1.00 88.71 C
524
+ ATOM 524 N THR A 66 107.925 31.700 20.537 1.00 95.44 N
525
+ ATOM 525 O THR A 66 104.561 31.452 19.645 1.00 94.65 O
526
+ ATOM 526 OG1 THR A 66 107.731 34.561 20.564 1.00 87.49 O
527
+ ATOM 527 C CYS A 67 105.007 28.937 18.191 1.00 95.19 C
528
+ ATOM 528 CA CYS A 67 105.568 30.155 17.466 1.00 95.51 C
529
+ ATOM 529 CB CYS A 67 106.436 29.704 16.291 1.00 95.04 C
530
+ ATOM 530 N CYS A 67 106.337 30.996 18.376 1.00 95.50 N
531
+ ATOM 531 O CYS A 67 103.856 28.556 17.973 1.00 94.45 O
532
+ ATOM 532 SG CYS A 67 106.843 31.032 15.137 1.00 94.69 S
533
+ ATOM 533 C MET A 68 104.237 27.492 20.729 1.00 94.06 C
534
+ ATOM 534 CA MET A 68 105.417 27.170 19.817 1.00 94.88 C
535
+ ATOM 535 CB MET A 68 106.577 26.609 20.641 1.00 94.22 C
536
+ ATOM 536 CE MET A 68 106.513 23.324 20.368 1.00 83.79 C
537
+ ATOM 537 CG MET A 68 107.600 25.844 19.816 1.00 91.62 C
538
+ ATOM 538 N MET A 68 105.839 28.354 19.074 1.00 95.11 N
539
+ ATOM 539 O MET A 68 103.386 26.635 20.977 1.00 92.49 O
540
+ ATOM 540 SD MET A 68 106.869 24.401 18.951 1.00 90.24 S
541
+ ATOM 541 C LYS A 69 101.720 29.500 21.262 1.00 92.55 C
542
+ ATOM 542 CA LYS A 69 102.985 29.126 22.031 1.00 93.34 C
543
+ ATOM 543 CB LYS A 69 103.443 30.305 22.890 1.00 92.27 C
544
+ ATOM 544 CD LYS A 69 104.929 31.158 24.735 1.00 83.11 C
545
+ ATOM 545 CE LYS A 69 105.986 30.796 25.769 1.00 77.23 C
546
+ ATOM 546 CG LYS A 69 104.474 29.936 23.947 1.00 87.03 C
547
+ ATOM 547 N LYS A 69 104.049 28.709 21.122 1.00 93.78 N
548
+ ATOM 548 NZ LYS A 69 106.516 32.005 26.466 1.00 71.65 N
549
+ ATOM 549 O LYS A 69 100.612 29.396 21.791 1.00 90.92 O
550
+ ATOM 550 C SER A 70 100.382 29.896 17.995 1.00 91.66 C
551
+ ATOM 551 CA SER A 70 100.771 30.529 19.327 1.00 92.34 C
552
+ ATOM 552 CB SER A 70 101.085 32.011 19.123 1.00 90.60 C
553
+ ATOM 553 N SER A 70 101.911 29.843 19.926 1.00 92.73 N
554
+ ATOM 554 O SER A 70 99.319 30.195 17.447 1.00 89.80 O
555
+ ATOM 555 OG SER A 70 102.201 32.176 18.266 1.00 76.18 O
556
+ ATOM 556 C CYS A 71 100.239 27.337 15.832 1.00 88.75 C
557
+ ATOM 557 CA CYS A 71 100.921 28.693 15.958 1.00 91.84 C
558
+ ATOM 558 CB CYS A 71 102.245 28.682 15.195 1.00 90.53 C
559
+ ATOM 559 N CYS A 71 101.140 29.039 17.359 1.00 92.22 N
560
+ ATOM 560 O CYS A 71 99.920 26.898 14.725 1.00 82.00 O
561
+ ATOM 561 SG CYS A 71 103.010 30.310 15.038 1.00 92.68 S
562
+ ATOM 562 C GLY A 72 99.775 24.248 16.580 1.00 90.63 C
563
+ ATOM 563 CA GLY A 72 99.066 25.538 16.944 1.00 90.07 C
564
+ ATOM 564 N GLY A 72 99.946 26.695 16.945 1.00 89.89 N
565
+ ATOM 565 O GLY A 72 101.004 24.215 16.486 1.00 89.70 O
566
+ ATOM 566 C LYS A 73 100.206 21.527 14.930 1.00 91.41 C
567
+ ATOM 567 CA LYS A 73 99.371 21.793 16.180 1.00 91.19 C
568
+ ATOM 568 CB LYS A 73 98.170 20.848 16.218 1.00 89.07 C
569
+ ATOM 569 CD LYS A 73 97.311 18.487 16.380 1.00 75.19 C
570
+ ATOM 570 CE LYS A 73 97.681 17.011 16.392 1.00 67.39 C
571
+ ATOM 571 CG LYS A 73 98.544 19.373 16.248 1.00 79.98 C
572
+ ATOM 572 N LYS A 73 98.931 23.184 16.234 1.00 91.01 N
573
+ ATOM 573 NZ LYS A 73 97.113 16.286 15.216 1.00 59.48 N
574
+ ATOM 574 O LYS A 73 101.151 20.738 14.964 1.00 90.40 O
575
+ ATOM 575 C ARG A 74 102.145 22.254 12.818 1.00 92.45 C
576
+ ATOM 576 CA ARG A 74 100.680 21.870 12.638 1.00 91.79 C
577
+ ATOM 577 CB ARG A 74 100.071 22.658 11.476 1.00 90.17 C
578
+ ATOM 578 CD ARG A 74 98.198 22.905 9.810 1.00 76.84 C
579
+ ATOM 579 CG ARG A 74 98.751 22.096 10.976 1.00 81.45 C
580
+ ATOM 580 CZ ARG A 74 98.873 23.459 7.497 1.00 66.98 C
581
+ ATOM 581 N ARG A 74 99.923 22.099 13.865 1.00 91.70 N
582
+ ATOM 582 NE ARG A 74 99.005 22.736 8.605 1.00 70.09 N
583
+ ATOM 583 NH1 ARG A 74 97.961 24.420 7.419 1.00 50.73 N
584
+ ATOM 584 NH2 ARG A 74 99.661 23.221 6.459 1.00 45.72 N
585
+ ATOM 585 O ARG A 74 103.040 21.538 12.366 1.00 91.99 O
586
+ ATOM 586 C PHE A 75 104.351 22.912 14.739 1.00 94.19 C
587
+ ATOM 587 CA PHE A 75 103.697 23.812 13.698 1.00 94.14 C
588
+ ATOM 588 CB PHE A 75 103.732 25.269 14.168 1.00 93.92 C
589
+ ATOM 589 CD1 PHE A 75 105.954 26.040 13.275 1.00 92.99 C
590
+ ATOM 590 CD2 PHE A 75 105.597 26.091 15.639 1.00 92.75 C
591
+ ATOM 591 CE1 PHE A 75 107.242 26.540 13.454 1.00 92.32 C
592
+ ATOM 592 CE2 PHE A 75 106.883 26.592 15.826 1.00 92.40 C
593
+ ATOM 593 CG PHE A 75 105.122 25.811 14.364 1.00 93.82 C
594
+ ATOM 594 CZ PHE A 75 107.703 26.815 14.732 1.00 91.96 C
595
+ ATOM 595 N PHE A 75 102.326 23.390 13.436 1.00 93.64 N
596
+ ATOM 596 O PHE A 75 105.516 22.534 14.598 1.00 93.86 O
597
+ ATOM 597 C HIS A 76 104.555 20.317 16.178 1.00 93.59 C
598
+ ATOM 598 CA HIS A 76 104.102 21.634 16.797 1.00 93.95 C
599
+ ATOM 599 CB HIS A 76 103.043 21.373 17.870 1.00 93.11 C
600
+ ATOM 600 CD2 HIS A 76 103.263 23.800 18.757 1.00 85.18 C
601
+ ATOM 601 CE1 HIS A 76 101.455 23.844 19.997 1.00 85.41 C
602
+ ATOM 602 CG HIS A 76 102.661 22.592 18.647 1.00 90.17 C
603
+ ATOM 603 N HIS A 76 103.586 22.545 15.782 1.00 93.87 N
604
+ ATOM 604 ND1 HIS A 76 101.532 22.649 19.435 1.00 85.50 N
605
+ ATOM 605 NE2 HIS A 76 102.493 24.561 19.603 1.00 86.04 N
606
+ ATOM 606 O HIS A 76 105.602 19.780 16.546 1.00 92.77 O
607
+ ATOM 607 C ASP A 77 105.422 18.736 13.749 1.00 92.74 C
608
+ ATOM 608 CA ASP A 77 104.105 18.614 14.513 1.00 92.66 C
609
+ ATOM 609 CB ASP A 77 102.981 18.201 13.561 1.00 91.59 C
610
+ ATOM 610 CG ASP A 77 101.738 17.717 14.285 1.00 86.42 C
611
+ ATOM 611 N ASP A 77 103.772 19.864 15.188 1.00 92.75 N
612
+ ATOM 612 O ASP A 77 106.233 17.808 13.746 1.00 92.07 O
613
+ ATOM 613 OD1 ASP A 77 101.805 17.460 15.507 1.00 80.89 O
614
+ ATOM 614 OD2 ASP A 77 100.682 17.588 13.629 1.00 83.85 O
615
+ ATOM 615 C GLU A 78 108.057 20.124 13.324 1.00 93.88 C
616
+ ATOM 616 CA GLU A 78 106.849 20.048 12.393 1.00 93.66 C
617
+ ATOM 617 CB GLU A 78 106.762 21.318 11.542 1.00 92.89 C
618
+ ATOM 618 CD GLU A 78 106.262 20.061 9.391 1.00 86.61 C
619
+ ATOM 619 CG GLU A 78 105.850 21.183 10.331 1.00 89.87 C
620
+ ATOM 620 N GLU A 78 105.615 19.850 13.148 1.00 93.45 N
621
+ ATOM 621 O GLU A 78 109.106 19.543 13.035 1.00 93.49 O
622
+ ATOM 622 OE1 GLU A 78 107.480 19.850 9.195 1.00 85.15 O
623
+ ATOM 623 OE2 GLU A 78 105.359 19.388 8.846 1.00 84.20 O
624
+ ATOM 624 C VAL A 79 109.291 19.610 16.052 1.00 94.45 C
625
+ ATOM 625 CA VAL A 79 108.965 20.963 15.424 1.00 94.90 C
626
+ ATOM 626 CB VAL A 79 108.592 21.984 16.523 1.00 94.31 C
627
+ ATOM 627 CG1 VAL A 79 109.574 21.904 17.691 1.00 90.33 C
628
+ ATOM 628 CG2 VAL A 79 108.559 23.399 15.946 1.00 89.73 C
629
+ ATOM 629 N VAL A 79 107.892 20.810 14.448 1.00 94.83 N
630
+ ATOM 630 O VAL A 79 110.450 19.329 16.369 1.00 93.49 O
631
+ ATOM 631 C GLY A 80 109.160 16.421 15.911 1.00 92.90 C
632
+ ATOM 632 CA GLY A 80 108.499 17.456 16.803 1.00 93.56 C
633
+ ATOM 633 N GLY A 80 108.341 18.749 16.157 1.00 93.61 N
634
+ ATOM 634 O GLY A 80 109.389 15.285 16.335 1.00 91.13 O
635
+ ATOM 635 C LYS A 81 111.729 15.895 13.998 1.00 93.28 C
636
+ ATOM 636 CA LYS A 81 110.220 15.892 13.775 1.00 93.25 C
637
+ ATOM 637 CB LYS A 81 109.903 16.256 12.324 1.00 92.30 C
638
+ ATOM 638 CD LYS A 81 108.173 16.512 10.513 1.00 86.59 C
639
+ ATOM 639 CE LYS A 81 106.704 16.361 10.147 1.00 82.39 C
640
+ ATOM 640 CG LYS A 81 108.446 16.046 11.937 1.00 88.59 C
641
+ ATOM 641 N LYS A 81 109.550 16.810 14.692 1.00 93.20 N
642
+ ATOM 642 NZ LYS A 81 106.415 16.895 8.781 1.00 77.42 N
643
+ ATOM 643 O LYS A 81 112.320 16.943 14.273 1.00 92.67 O
644
+ ATOM 644 C PHE A 82 114.535 15.529 12.989 1.00 92.12 C
645
+ ATOM 645 CA PHE A 82 113.771 14.651 13.972 1.00 92.51 C
646
+ ATOM 646 CB PHE A 82 114.217 13.192 13.830 1.00 90.77 C
647
+ ATOM 647 CD1 PHE A 82 114.608 12.705 16.267 1.00 78.80 C
648
+ ATOM 648 CD2 PHE A 82 113.170 11.248 15.031 1.00 79.46 C
649
+ ATOM 649 CE1 PHE A 82 114.403 11.942 17.414 1.00 78.52 C
650
+ ATOM 650 CE2 PHE A 82 112.960 10.480 16.173 1.00 77.86 C
651
+ ATOM 651 CG PHE A 82 113.994 12.365 15.067 1.00 85.15 C
652
+ ATOM 652 CZ PHE A 82 113.579 10.828 17.363 1.00 76.87 C
653
+ ATOM 653 N PHE A 82 112.332 14.769 13.764 1.00 92.15 N
654
+ ATOM 654 O PHE A 82 115.654 15.961 13.274 1.00 90.91 O
655
+ ATOM 655 C ARG A 83 114.911 17.996 11.572 1.00 93.02 C
656
+ ATOM 656 CA ARG A 83 114.615 16.638 10.946 1.00 92.64 C
657
+ ATOM 657 CB ARG A 83 113.789 16.818 9.671 1.00 90.22 C
658
+ ATOM 658 CD ARG A 83 113.596 17.838 7.375 1.00 71.55 C
659
+ ATOM 659 CG ARG A 83 114.450 17.707 8.629 1.00 76.48 C
660
+ ATOM 660 CZ ARG A 83 113.621 19.133 5.268 1.00 62.59 C
661
+ ATOM 661 N ARG A 83 113.920 15.766 11.888 1.00 92.64 N
662
+ ATOM 662 NE ARG A 83 114.186 18.767 6.416 1.00 65.50 N
663
+ ATOM 663 NH1 ARG A 83 112.435 18.652 4.913 1.00 48.71 N
664
+ ATOM 664 NH2 ARG A 83 114.246 19.986 4.470 1.00 43.25 N
665
+ ATOM 665 O ARG A 83 115.983 18.565 11.355 1.00 92.18 O
666
+ ATOM 666 C PHE A 84 114.935 19.585 14.348 1.00 95.60 C
667
+ ATOM 667 CA PHE A 84 114.205 19.784 13.024 1.00 95.51 C
668
+ ATOM 668 CB PHE A 84 112.875 20.506 13.261 1.00 95.21 C
669
+ ATOM 669 CD1 PHE A 84 113.575 22.922 13.226 1.00 92.99 C
670
+ ATOM 670 CD2 PHE A 84 112.609 22.046 15.231 1.00 92.83 C
671
+ ATOM 671 CE1 PHE A 84 113.713 24.169 13.832 1.00 92.44 C
672
+ ATOM 672 CE2 PHE A 84 112.744 23.289 15.842 1.00 92.53 C
673
+ ATOM 673 CG PHE A 84 113.023 21.852 13.918 1.00 94.53 C
674
+ ATOM 674 CZ PHE A 84 113.297 24.349 15.142 1.00 91.75 C
675
+ ATOM 675 N PHE A 84 113.984 18.507 12.356 1.00 95.09 N
676
+ ATOM 676 O PHE A 84 115.869 20.323 14.664 1.00 95.35 O
677
+ ATOM 677 C LEU A 85 116.671 18.121 16.342 1.00 95.19 C
678
+ ATOM 678 CA LEU A 85 115.169 18.357 16.462 1.00 95.49 C
679
+ ATOM 679 CB LEU A 85 114.502 17.152 17.130 1.00 94.96 C
680
+ ATOM 680 CD1 LEU A 85 112.471 16.009 18.054 1.00 89.01 C
681
+ ATOM 681 CD2 LEU A 85 112.910 18.418 18.601 1.00 88.68 C
682
+ ATOM 682 CG LEU A 85 113.040 17.328 17.543 1.00 93.09 C
683
+ ATOM 683 N LEU A 85 114.575 18.609 15.154 1.00 95.35 N
684
+ ATOM 684 O LEU A 85 117.446 18.589 17.178 1.00 94.53 O
685
+ ATOM 685 C ASN A 86 119.252 18.484 14.760 1.00 94.69 C
686
+ ATOM 686 CA ASN A 86 118.483 17.189 15.005 1.00 94.58 C
687
+ ATOM 687 CB ASN A 86 118.682 16.225 13.834 1.00 93.41 C
688
+ ATOM 688 CG ASN A 86 118.318 14.795 14.186 1.00 86.61 C
689
+ ATOM 689 N ASN A 86 117.064 17.441 15.224 1.00 94.41 N
690
+ ATOM 690 ND2 ASN A 86 118.028 13.990 13.171 1.00 78.32 N
691
+ ATOM 691 O ASN A 86 120.429 18.588 15.110 1.00 94.24 O
692
+ ATOM 692 OD1 ASN A 86 118.299 14.418 15.360 1.00 78.66 O
693
+ ATOM 693 C GLU A 87 119.474 21.442 15.304 1.00 95.43 C
694
+ ATOM 694 CA GLU A 87 119.235 20.736 13.973 1.00 95.27 C
695
+ ATOM 695 CB GLU A 87 118.396 21.623 13.049 1.00 94.58 C
696
+ ATOM 696 CD GLU A 87 119.524 20.813 10.922 1.00 89.29 C
697
+ ATOM 697 CG GLU A 87 118.211 21.054 11.650 1.00 92.10 C
698
+ ATOM 698 N GLU A 87 118.586 19.443 14.170 1.00 95.11 N
699
+ ATOM 699 O GLU A 87 120.500 22.101 15.487 1.00 95.16 O
700
+ ATOM 700 OE1 GLU A 87 120.398 21.708 10.934 1.00 87.49 O
701
+ ATOM 701 OE2 GLU A 87 119.679 19.719 10.335 1.00 87.39 O
702
+ ATOM 702 C LEU A 88 119.891 21.082 18.340 1.00 95.61 C
703
+ ATOM 703 CA LEU A 88 118.783 21.833 17.609 1.00 95.83 C
704
+ ATOM 704 CB LEU A 88 117.488 21.776 18.423 1.00 95.37 C
705
+ ATOM 705 CD1 LEU A 88 115.156 22.568 18.889 1.00 90.12 C
706
+ ATOM 706 CD2 LEU A 88 116.803 24.105 17.785 1.00 89.71 C
707
+ ATOM 707 CG LEU A 88 116.340 22.660 17.934 1.00 93.63 C
708
+ ATOM 708 N LEU A 88 118.572 21.280 16.275 1.00 95.81 N
709
+ ATOM 709 O LEU A 88 120.736 21.697 18.993 1.00 95.05 O
710
+ ATOM 710 C ILE A 89 122.284 19.338 18.365 1.00 94.48 C
711
+ ATOM 711 CA ILE A 89 120.887 18.994 18.877 1.00 94.60 C
712
+ ATOM 712 CB ILE A 89 120.597 17.490 18.674 1.00 93.68 C
713
+ ATOM 713 CD1 ILE A 89 118.840 15.682 19.132 1.00 83.11 C
714
+ ATOM 714 CG1 ILE A 89 119.357 17.073 19.472 1.00 88.09 C
715
+ ATOM 715 CG2 ILE A 89 121.813 16.647 19.071 1.00 87.51 C
716
+ ATOM 716 N ILE A 89 119.896 19.825 18.202 1.00 94.60 N
717
+ ATOM 717 O ILE A 89 123.235 19.423 19.145 1.00 93.83 O
718
+ ATOM 718 C LYS A 90 124.325 21.245 17.202 1.00 94.65 C
719
+ ATOM 719 CA LYS A 90 123.756 20.013 16.503 1.00 94.50 C
720
+ ATOM 720 CB LYS A 90 123.623 20.277 15.002 1.00 93.17 C
721
+ ATOM 721 CD LYS A 90 123.390 19.341 12.677 1.00 80.05 C
722
+ ATOM 722 CE LYS A 90 123.173 18.086 11.843 1.00 72.63 C
723
+ ATOM 723 CG LYS A 90 123.512 19.015 14.160 1.00 84.59 C
724
+ ATOM 724 N LYS A 90 122.468 19.633 17.074 1.00 94.55 N
725
+ ATOM 725 NZ LYS A 90 122.969 18.408 10.399 1.00 66.04 N
726
+ ATOM 726 O LYS A 90 125.537 21.348 17.401 1.00 94.17 O
727
+ ATOM 727 C VAL A 91 124.414 23.142 19.585 1.00 95.20 C
728
+ ATOM 728 CA VAL A 91 123.874 23.365 18.174 1.00 95.51 C
729
+ ATOM 729 CB VAL A 91 122.725 24.399 18.201 1.00 95.07 C
730
+ ATOM 730 CG1 VAL A 91 123.153 25.662 18.946 1.00 92.98 C
731
+ ATOM 731 CG2 VAL A 91 122.282 24.738 16.779 1.00 92.87 C
732
+ ATOM 732 N VAL A 91 123.437 22.094 17.606 1.00 95.51 N
733
+ ATOM 733 O VAL A 91 125.340 23.832 20.017 1.00 94.43 O
734
+ ATOM 734 C VAL A 92 125.395 20.809 21.803 1.00 94.15 C
735
+ ATOM 735 CA VAL A 92 124.351 21.918 21.692 1.00 94.67 C
736
+ ATOM 736 CB VAL A 92 123.128 21.589 22.577 1.00 93.84 C
737
+ ATOM 737 CG1 VAL A 92 122.153 22.765 22.609 1.00 87.75 C
738
+ ATOM 738 CG2 VAL A 92 122.430 20.326 22.074 1.00 87.57 C
739
+ ATOM 739 N VAL A 92 123.969 22.100 20.295 1.00 94.86 N
740
+ ATOM 740 O VAL A 92 126.045 20.660 22.840 1.00 92.84 O
741
+ ATOM 741 C SER A 93 127.908 19.345 20.625 1.00 93.55 C
742
+ ATOM 742 CA SER A 93 126.462 18.902 20.825 1.00 93.69 C
743
+ ATOM 743 CB SER A 93 126.082 17.878 19.755 1.00 92.78 C
744
+ ATOM 744 N SER A 93 125.552 20.041 20.789 1.00 93.78 N
745
+ ATOM 745 O SER A 93 128.233 19.993 19.627 1.00 92.77 O
746
+ ATOM 746 OG SER A 93 127.057 16.852 19.672 1.00 86.65 O
747
+ ATOM 747 C PRO A 94 130.748 18.582 20.072 1.00 91.30 C
748
+ ATOM 748 CA PRO A 94 130.163 19.216 21.332 1.00 91.51 C
749
+ ATOM 749 CB PRO A 94 130.814 18.634 22.589 1.00 90.22 C
750
+ ATOM 750 CD PRO A 94 128.414 18.357 22.862 1.00 84.81 C
751
+ ATOM 751 CG PRO A 94 129.710 18.560 23.593 1.00 86.09 C
752
+ ATOM 752 N PRO A 94 128.743 18.906 21.514 1.00 91.93 N
753
+ ATOM 753 O PRO A 94 131.752 19.066 19.542 1.00 90.17 O
754
+ ATOM 754 C LYS A 95 130.344 17.743 17.092 1.00 91.37 C
755
+ ATOM 755 CA LYS A 95 130.617 16.896 18.332 1.00 91.13 C
756
+ ATOM 756 CB LYS A 95 129.958 15.523 18.184 1.00 89.19 C
757
+ ATOM 757 CD LYS A 95 129.733 13.157 19.011 1.00 74.15 C
758
+ ATOM 758 CE LYS A 95 130.167 12.144 20.061 1.00 65.90 C
759
+ ATOM 759 CG LYS A 95 130.397 14.510 19.230 1.00 79.11 C
760
+ ATOM 760 N LYS A 95 130.143 17.564 19.540 1.00 91.58 N
761
+ ATOM 761 NZ LYS A 95 129.475 10.832 19.886 1.00 59.27 N
762
+ ATOM 762 O LYS A 95 130.934 17.514 16.034 1.00 90.23 O
763
+ ATOM 763 C TYR A 96 129.385 20.991 16.328 1.00 93.81 C
764
+ ATOM 764 CA TYR A 96 129.126 19.519 16.033 1.00 93.79 C
765
+ ATOM 765 CB TYR A 96 127.654 19.312 15.666 1.00 92.89 C
766
+ ATOM 766 CD1 TYR A 96 127.646 17.470 13.938 1.00 88.24 C
767
+ ATOM 767 CD2 TYR A 96 126.707 17.011 16.086 1.00 87.91 C
768
+ ATOM 768 CE1 TYR A 96 127.349 16.175 13.524 1.00 85.42 C
769
+ ATOM 769 CE2 TYR A 96 126.405 15.715 15.682 1.00 85.76 C
770
+ ATOM 770 CG TYR A 96 127.330 17.906 15.223 1.00 91.90 C
771
+ ATOM 771 CZ TYR A 96 126.729 15.307 14.402 1.00 84.92 C
772
+ ATOM 772 N TYR A 96 129.491 18.685 17.172 1.00 93.94 N
773
+ ATOM 773 O TYR A 96 130.538 21.415 16.435 1.00 91.61 O
774
+ ATOM 774 OH TYR A 96 126.433 14.024 13.997 1.00 69.71 O
775
+ ATOM 775 C LEU A 97 128.711 23.612 18.150 1.00 94.52 C
776
+ ATOM 776 CA LEU A 97 128.520 23.208 16.692 1.00 94.65 C
777
+ ATOM 777 CB LEU A 97 127.301 23.926 16.106 1.00 93.95 C
778
+ ATOM 778 CD1 LEU A 97 125.717 24.370 14.216 1.00 88.07 C
779
+ ATOM 779 CD2 LEU A 97 128.166 24.080 13.755 1.00 87.98 C
780
+ ATOM 780 CG LEU A 97 126.995 23.652 14.633 1.00 91.92 C
781
+ ATOM 781 N LEU A 97 128.367 21.763 16.569 1.00 94.34 N
782
+ ATOM 782 O LEU A 97 128.994 24.777 18.443 1.00 93.82 O
783
+ ATOM 783 C GLY A 98 129.742 23.694 21.004 1.00 93.04 C
784
+ ATOM 784 CA GLY A 98 128.477 23.027 20.499 1.00 93.48 C
785
+ ATOM 785 N GLY A 98 128.519 22.723 19.078 1.00 93.26 N
786
+ ATOM 786 O GLY A 98 129.693 24.521 21.916 1.00 91.64 O
787
+ ATOM 787 C SER A 99 132.232 25.381 20.544 1.00 92.21 C
788
+ ATOM 788 CA SER A 99 132.104 23.908 20.919 1.00 92.38 C
789
+ ATOM 789 CB SER A 99 133.287 23.124 20.348 1.00 90.48 C
790
+ ATOM 790 N SER A 99 130.843 23.350 20.444 1.00 92.56 N
791
+ ATOM 791 O SER A 99 132.955 26.133 21.200 1.00 91.05 O
792
+ ATOM 792 OG SER A 99 133.274 23.155 18.931 1.00 75.29 O
793
+ ATOM 793 C ARG A 100 130.354 28.067 19.470 1.00 92.71 C
794
+ ATOM 794 CA ARG A 100 131.614 27.278 19.125 1.00 92.51 C
795
+ ATOM 795 CB ARG A 100 131.876 27.345 17.618 1.00 89.92 C
796
+ ATOM 796 CD ARG A 100 131.077 26.831 15.286 1.00 72.68 C
797
+ ATOM 797 CG ARG A 100 130.752 26.771 16.772 1.00 77.36 C
798
+ ATOM 798 CZ ARG A 100 129.942 26.332 13.147 1.00 64.50 C
799
+ ATOM 799 N ARG A 100 131.501 25.892 19.566 1.00 92.89 N
800
+ ATOM 800 NE ARG A 100 130.000 26.273 14.475 1.00 66.88 N
801
+ ATOM 801 NH1 ARG A 100 130.904 26.927 12.452 1.00 51.39 N
802
+ ATOM 802 NH2 ARG A 100 128.914 25.791 12.509 1.00 45.46 N
803
+ ATOM 803 O ARG A 100 130.252 29.254 19.154 1.00 91.46 O
804
+ ATOM 804 C THR A 101 128.193 28.580 21.787 1.00 94.30 C
805
+ ATOM 805 CA THR A 101 128.108 28.036 20.364 1.00 94.45 C
806
+ ATOM 806 CB THR A 101 126.921 27.059 20.256 1.00 93.58 C
807
+ ATOM 807 CG2 THR A 101 125.617 27.729 20.673 1.00 86.63 C
808
+ ATOM 808 N THR A 101 129.360 27.394 19.979 1.00 94.22 N
809
+ ATOM 809 O THR A 101 128.737 27.922 22.677 1.00 93.53 O
810
+ ATOM 810 OG1 THR A 101 126.803 26.609 18.901 1.00 86.64 O
811
+ ATOM 811 C SER A 102 126.868 29.554 24.298 1.00 94.38 C
812
+ ATOM 812 CA SER A 102 127.724 30.338 23.309 1.00 94.19 C
813
+ ATOM 813 CB SER A 102 127.250 31.791 23.250 1.00 93.12 C
814
+ ATOM 814 N SER A 102 127.689 29.733 21.982 1.00 94.09 N
815
+ ATOM 815 O SER A 102 125.889 28.915 23.907 1.00 93.94 O
816
+ ATOM 816 OG SER A 102 125.847 31.853 23.053 1.00 80.64 O
817
+ ATOM 817 C GLU A 103 124.994 29.498 26.709 1.00 94.03 C
818
+ ATOM 818 CA GLU A 103 126.431 28.991 26.625 1.00 93.77 C
819
+ ATOM 819 CB GLU A 103 127.128 29.159 27.978 1.00 92.21 C
820
+ ATOM 820 CD GLU A 103 128.235 26.874 27.898 1.00 76.57 C
821
+ ATOM 821 CG GLU A 103 128.423 28.368 28.104 1.00 82.47 C
822
+ ATOM 822 N GLU A 103 127.174 29.681 25.575 1.00 93.61 N
823
+ ATOM 823 O GLU A 103 124.079 28.737 27.028 1.00 93.56 O
824
+ ATOM 824 OE1 GLU A 103 127.339 26.279 28.539 1.00 73.55 O
825
+ ATOM 825 OE2 GLU A 103 128.991 26.292 27.087 1.00 70.32 O
826
+ ATOM 826 C LYS A 104 122.561 30.621 25.428 1.00 95.21 C
827
+ ATOM 827 CA LYS A 104 123.492 31.269 26.449 1.00 94.96 C
828
+ ATOM 828 CB LYS A 104 123.564 32.778 26.208 1.00 93.71 C
829
+ ATOM 829 CD LYS A 104 122.402 35.010 26.251 1.00 75.72 C
830
+ ATOM 830 CE LYS A 104 121.071 35.733 26.407 1.00 67.61 C
831
+ ATOM 831 CG LYS A 104 122.249 33.506 26.439 1.00 81.92 C
832
+ ATOM 832 N LYS A 104 124.825 30.676 26.398 1.00 94.88 N
833
+ ATOM 833 NZ LYS A 104 121.198 37.194 26.128 1.00 59.26 N
834
+ ATOM 834 O LYS A 104 121.413 30.300 25.741 1.00 94.88 O
835
+ ATOM 835 C VAL A 105 121.998 28.368 23.535 1.00 95.81 C
836
+ ATOM 836 CA VAL A 105 122.271 29.829 23.184 1.00 95.80 C
837
+ ATOM 837 CB VAL A 105 122.986 29.923 21.817 1.00 95.42 C
838
+ ATOM 838 CG1 VAL A 105 122.239 29.114 20.759 1.00 93.99 C
839
+ ATOM 839 CG2 VAL A 105 123.117 31.383 21.384 1.00 93.76 C
840
+ ATOM 840 N VAL A 105 123.055 30.454 24.244 1.00 95.61 N
841
+ ATOM 841 O VAL A 105 120.863 27.899 23.429 1.00 95.56 O
842
+ ATOM 842 C LYS A 106 121.824 26.075 25.508 1.00 95.21 C
843
+ ATOM 843 CA LYS A 106 122.856 26.222 24.394 1.00 95.40 C
844
+ ATOM 844 CB LYS A 106 124.192 25.621 24.834 1.00 94.76 C
845
+ ATOM 845 CD LYS A 106 126.435 24.698 24.160 1.00 89.46 C
846
+ ATOM 846 CE LYS A 106 127.329 25.533 25.067 1.00 85.98 C
847
+ ATOM 847 CG LYS A 106 125.207 25.480 23.710 1.00 91.93 C
848
+ ATOM 848 N LYS A 106 123.024 27.622 24.015 1.00 95.34 N
849
+ ATOM 849 NZ LYS A 106 128.547 24.780 25.490 1.00 78.90 N
850
+ ATOM 850 O LYS A 106 120.943 25.216 25.435 1.00 94.71 O
851
+ ATOM 851 C ASN A 107 119.562 27.196 27.213 1.00 95.54 C
852
+ ATOM 852 CA ASN A 107 120.997 26.904 27.643 1.00 95.44 C
853
+ ATOM 853 CB ASN A 107 121.428 27.870 28.749 1.00 94.49 C
854
+ ATOM 854 CG ASN A 107 122.666 27.399 29.486 1.00 87.37 C
855
+ ATOM 855 N ASN A 107 121.919 26.974 26.515 1.00 95.39 N
856
+ ATOM 856 ND2 ASN A 107 123.363 28.330 30.128 1.00 76.57 N
857
+ ATOM 857 O ASN A 107 118.623 26.564 27.700 1.00 95.22 O
858
+ ATOM 858 OD1 ASN A 107 122.994 26.211 29.478 1.00 78.03 O
859
+ ATOM 859 C LYS A 108 117.492 27.248 25.087 1.00 96.10 C
860
+ ATOM 860 CA LYS A 108 118.103 28.418 25.853 1.00 95.98 C
861
+ ATOM 861 CB LYS A 108 118.140 29.663 24.967 1.00 95.09 C
862
+ ATOM 862 CD LYS A 108 115.921 30.654 25.622 1.00 79.06 C
863
+ ATOM 863 CE LYS A 108 114.637 31.296 25.111 1.00 72.23 C
864
+ ATOM 864 CG LYS A 108 116.772 30.116 24.479 1.00 86.02 C
865
+ ATOM 865 N LYS A 108 119.443 28.090 26.333 1.00 95.94 N
866
+ ATOM 866 NZ LYS A 108 113.953 32.090 26.175 1.00 63.75 N
867
+ ATOM 867 O LYS A 108 116.309 26.941 25.253 1.00 95.81 O
868
+ ATOM 868 C ILE A 109 117.371 24.294 24.520 1.00 96.08 C
869
+ ATOM 869 CA ILE A 109 117.780 25.401 23.552 1.00 96.28 C
870
+ ATOM 870 CB ILE A 109 118.848 24.883 22.564 1.00 96.03 C
871
+ ATOM 871 CD1 ILE A 109 120.224 25.559 20.510 1.00 93.15 C
872
+ ATOM 872 CG1 ILE A 109 119.044 25.880 21.416 1.00 95.18 C
873
+ ATOM 873 CG2 ILE A 109 118.461 23.501 22.028 1.00 95.02 C
874
+ ATOM 874 N ILE A 109 118.262 26.557 24.301 1.00 96.26 N
875
+ ATOM 875 O ILE A 109 116.290 23.713 24.388 1.00 95.64 O
876
+ ATOM 876 C LEU A 110 116.679 23.310 27.304 1.00 95.38 C
877
+ ATOM 877 CA LEU A 110 117.911 22.973 26.472 1.00 95.58 C
878
+ ATOM 878 CB LEU A 110 119.116 22.744 27.390 1.00 95.00 C
879
+ ATOM 879 CD1 LEU A 110 121.522 22.133 27.736 1.00 88.47 C
880
+ ATOM 880 CD2 LEU A 110 120.120 20.833 26.111 1.00 87.85 C
881
+ ATOM 881 CG LEU A 110 120.382 22.203 26.725 1.00 92.85 C
882
+ ATOM 882 N LEU A 110 118.196 24.034 25.512 1.00 95.59 N
883
+ ATOM 883 O LEU A 110 115.861 22.433 27.593 1.00 94.83 O
884
+ ATOM 884 C GLU A 111 114.040 24.793 27.522 1.00 95.16 C
885
+ ATOM 885 CA GLU A 111 115.306 24.993 28.351 1.00 95.08 C
886
+ ATOM 886 CB GLU A 111 115.439 26.463 28.759 1.00 93.63 C
887
+ ATOM 887 CD GLU A 111 116.632 28.165 30.220 1.00 74.44 C
888
+ ATOM 888 CG GLU A 111 116.384 26.693 29.930 1.00 80.60 C
889
+ ATOM 889 N GLU A 111 116.490 24.553 27.621 1.00 95.18 N
890
+ ATOM 890 O GLU A 111 113.016 24.344 28.041 1.00 94.66 O
891
+ ATOM 891 OE1 GLU A 111 115.934 29.024 29.637 1.00 70.36 O
892
+ ATOM 892 OE2 GLU A 111 117.534 28.460 31.036 1.00 68.16 O
893
+ ATOM 893 C LEU A 112 112.617 23.513 25.253 1.00 95.85 C
894
+ ATOM 894 CA LEU A 112 112.975 24.986 25.415 1.00 95.91 C
895
+ ATOM 895 CB LEU A 112 113.239 25.613 24.043 1.00 95.44 C
896
+ ATOM 896 CD1 LEU A 112 113.660 27.616 22.594 1.00 89.82 C
897
+ ATOM 897 CD2 LEU A 112 111.918 27.717 24.398 1.00 89.39 C
898
+ ATOM 898 CG LEU A 112 113.270 27.142 23.990 1.00 93.50 C
899
+ ATOM 899 N LEU A 112 114.137 25.147 26.282 1.00 95.87 N
900
+ ATOM 900 O LEU A 112 111.448 23.138 25.363 1.00 95.40 O
901
+ ATOM 901 C LEU A 113 112.725 20.673 26.159 1.00 94.89 C
902
+ ATOM 902 CA LEU A 113 113.358 21.236 24.892 1.00 95.45 C
903
+ ATOM 903 CB LEU A 113 114.653 20.482 24.575 1.00 95.00 C
904
+ ATOM 904 CD1 LEU A 113 116.589 20.011 23.053 1.00 90.33 C
905
+ ATOM 905 CD2 LEU A 113 114.255 20.066 22.132 1.00 89.81 C
906
+ ATOM 906 CG LEU A 113 115.212 20.657 23.163 1.00 93.46 C
907
+ ATOM 907 N LEU A 113 113.622 22.665 25.032 1.00 95.51 N
908
+ ATOM 908 O LEU A 113 111.755 19.915 26.089 1.00 93.89 O
909
+ ATOM 909 C TYR A 114 111.241 21.104 28.670 1.00 94.22 C
910
+ ATOM 910 CA TYR A 114 112.689 20.650 28.538 1.00 94.49 C
911
+ ATOM 911 CB TYR A 114 113.509 21.168 29.724 1.00 93.67 C
912
+ ATOM 912 CD1 TYR A 114 112.956 19.423 31.464 1.00 85.32 C
913
+ ATOM 913 CD2 TYR A 114 112.438 21.705 31.944 1.00 85.08 C
914
+ ATOM 914 CE1 TYR A 114 112.448 19.040 32.701 1.00 85.36 C
915
+ ATOM 915 CE2 TYR A 114 111.928 21.333 33.183 1.00 85.45 C
916
+ ATOM 916 CG TYR A 114 112.958 20.759 31.068 1.00 90.34 C
917
+ ATOM 917 CZ TYR A 114 111.938 20.001 33.552 1.00 83.16 C
918
+ ATOM 918 N TYR A 114 113.267 21.104 27.279 1.00 94.47 N
919
+ ATOM 919 O TYR A 114 110.358 20.305 28.992 1.00 93.49 O
920
+ ATOM 920 OH TYR A 114 111.433 19.628 34.779 1.00 76.01 O
921
+ ATOM 921 C SER A 115 108.679 22.159 27.586 1.00 94.18 C
922
+ ATOM 922 CA SER A 115 109.654 22.887 28.505 1.00 94.34 C
923
+ ATOM 923 CB SER A 115 109.652 24.382 28.181 1.00 93.07 C
924
+ ATOM 924 N SER A 115 111.001 22.340 28.387 1.00 94.46 N
925
+ ATOM 925 O SER A 115 107.526 21.926 27.955 1.00 93.33 O
926
+ ATOM 926 OG SER A 115 109.872 24.597 26.798 1.00 75.38 O
927
+ ATOM 927 C TRP A 116 108.013 19.627 25.888 1.00 92.79 C
928
+ ATOM 928 CA TRP A 116 108.266 21.081 25.503 1.00 94.33 C
929
+ ATOM 929 CB TRP A 116 108.863 21.154 24.095 1.00 93.70 C
930
+ ATOM 930 CD1 TRP A 116 108.173 23.617 23.878 1.00 86.99 C
931
+ ATOM 931 CD2 TRP A 116 109.874 23.012 22.553 1.00 87.60 C
932
+ ATOM 932 CE2 TRP A 116 109.596 24.380 22.335 1.00 88.53 C
933
+ ATOM 933 CE3 TRP A 116 110.910 22.407 21.828 1.00 86.73 C
934
+ ATOM 934 CG TRP A 116 108.953 22.545 23.543 1.00 91.66 C
935
+ ATOM 935 CH2 TRP A 116 111.324 24.536 20.727 1.00 86.06 C
936
+ ATOM 936 CZ2 TRP A 116 110.316 25.153 21.422 1.00 87.45 C
937
+ ATOM 937 CZ3 TRP A 116 111.626 23.178 20.920 1.00 86.62 C
938
+ ATOM 938 N TRP A 116 109.149 21.728 26.468 1.00 93.98 N
939
+ ATOM 939 NE1 TRP A 116 108.555 24.723 23.155 1.00 88.51 N
940
+ ATOM 940 O TRP A 116 106.987 19.051 25.520 1.00 90.19 O
941
+ ATOM 941 C THR A 117 107.454 17.674 28.051 1.00 92.13 C
942
+ ATOM 942 CA THR A 117 108.645 17.657 27.096 1.00 93.05 C
943
+ ATOM 943 CB THR A 117 109.869 17.054 27.808 1.00 91.54 C
944
+ ATOM 944 CG2 THR A 117 111.105 17.106 26.916 1.00 81.21 C
945
+ ATOM 945 N THR A 117 108.929 19.000 26.601 1.00 93.29 N
946
+ ATOM 946 O THR A 117 106.669 16.724 28.089 1.00 90.29 O
947
+ ATOM 947 OG1 THR A 117 110.129 17.792 29.009 1.00 81.80 O
948
+ ATOM 948 C VAL A 118 105.034 19.394 29.071 1.00 91.48 C
949
+ ATOM 949 CA VAL A 118 106.287 18.825 29.734 1.00 91.98 C
950
+ ATOM 950 CB VAL A 118 106.703 19.709 30.931 1.00 90.57 C
951
+ ATOM 951 CG1 VAL A 118 105.542 19.877 31.909 1.00 82.57 C
952
+ ATOM 952 CG2 VAL A 118 107.918 19.110 31.638 1.00 80.83 C
953
+ ATOM 953 N VAL A 118 107.359 18.713 28.751 1.00 92.26 N
954
+ ATOM 954 O VAL A 118 103.941 18.843 29.220 1.00 90.11 O
955
+ ATOM 955 C GLY A 119 103.415 20.539 26.503 1.00 90.97 C
956
+ ATOM 956 CA GLY A 119 104.041 21.185 27.725 1.00 91.47 C
957
+ ATOM 957 N GLY A 119 105.175 20.440 28.248 1.00 91.51 N
958
+ ATOM 958 O GLY A 119 102.294 20.880 26.120 1.00 89.00 O
959
+ ATOM 959 C LEU A 120 103.951 17.517 24.667 1.00 90.09 C
960
+ ATOM 960 CA LEU A 120 103.665 19.013 24.599 1.00 90.46 C
961
+ ATOM 961 CB LEU A 120 104.329 19.615 23.358 1.00 88.52 C
962
+ ATOM 962 CD1 LEU A 120 104.999 21.628 22.022 1.00 79.08 C
963
+ ATOM 963 CD2 LEU A 120 102.599 21.300 22.673 1.00 78.81 C
964
+ ATOM 964 CG LEU A 120 104.051 21.095 23.091 1.00 84.66 C
965
+ ATOM 965 N LEU A 120 104.131 19.687 25.806 1.00 90.38 N
966
+ ATOM 966 O LEU A 120 104.656 16.975 23.813 1.00 87.73 O
967
+ ATOM 967 C PRO A 121 103.223 14.582 24.591 1.00 89.19 C
968
+ ATOM 968 CA PRO A 121 103.589 15.449 25.796 1.00 90.31 C
969
+ ATOM 969 CB PRO A 121 102.734 15.081 27.011 1.00 88.72 C
970
+ ATOM 970 CD PRO A 121 102.198 17.403 26.522 1.00 87.63 C
971
+ ATOM 971 CG PRO A 121 101.644 16.105 27.036 1.00 87.96 C
972
+ ATOM 972 N PRO A 121 103.285 16.866 25.585 1.00 89.82 N
973
+ ATOM 973 O PRO A 121 103.725 13.464 24.456 1.00 87.35 O
974
+ ATOM 974 C GLU A 122 103.148 14.244 21.495 1.00 89.12 C
975
+ ATOM 975 CA GLU A 122 102.034 14.292 22.537 1.00 89.58 C
976
+ ATOM 976 CB GLU A 122 100.766 14.892 21.923 1.00 85.46 C
977
+ ATOM 977 CD GLU A 122 100.841 17.386 22.400 1.00 67.84 C
978
+ ATOM 978 CG GLU A 122 100.959 16.289 21.354 1.00 72.22 C
979
+ ATOM 979 N GLU A 122 102.444 15.054 23.713 1.00 90.11 N
980
+ ATOM 980 O GLU A 122 103.141 13.388 20.608 1.00 86.25 O
981
+ ATOM 981 OE1 GLU A 122 100.910 17.079 23.612 1.00 64.04 O
982
+ ATOM 982 OE2 GLU A 122 100.677 18.562 22.005 1.00 61.05 O
983
+ ATOM 983 C GLU A 123 106.316 14.361 21.283 1.00 89.95 C
984
+ ATOM 984 CA GLU A 123 105.176 15.192 20.701 1.00 90.37 C
985
+ ATOM 985 CB GLU A 123 105.657 16.618 20.415 1.00 88.14 C
986
+ ATOM 986 CD GLU A 123 104.175 16.970 18.382 1.00 78.48 C
987
+ ATOM 987 CG GLU A 123 104.613 17.495 19.741 1.00 83.27 C
988
+ ATOM 988 N GLU A 123 104.024 15.209 21.597 1.00 90.09 N
989
+ ATOM 989 O GLU A 123 107.308 14.911 21.767 1.00 87.30 O
990
+ ATOM 990 OE1 GLU A 123 104.945 16.214 17.747 1.00 79.10 O
991
+ ATOM 991 OE2 GLU A 123 103.055 17.321 17.949 1.00 78.86 O
992
+ ATOM 992 C VAL A 124 108.443 12.178 21.514 1.00 91.97 C
993
+ ATOM 993 CA VAL A 124 106.976 12.111 21.936 1.00 91.84 C
994
+ ATOM 994 CB VAL A 124 106.431 10.678 21.745 1.00 89.19 C
995
+ ATOM 995 CG1 VAL A 124 105.012 10.561 22.300 1.00 73.75 C
996
+ ATOM 996 CG2 VAL A 124 106.464 10.287 20.269 1.00 71.74 C
997
+ ATOM 997 N VAL A 124 106.200 13.086 21.177 1.00 91.36 N
998
+ ATOM 998 O VAL A 124 109.334 11.822 22.288 1.00 90.86 O
999
+ ATOM 999 C LYS A 125 110.895 13.727 20.545 1.00 93.62 C
1000
+ ATOM 1000 CA LYS A 125 110.103 12.616 19.861 1.00 93.37 C
1001
+ ATOM 1001 CB LYS A 125 110.141 12.803 18.344 1.00 91.88 C
1002
+ ATOM 1002 CD LYS A 125 109.758 11.824 16.056 1.00 81.71 C
1003
+ ATOM 1003 CE LYS A 125 109.201 10.646 15.269 1.00 77.21 C
1004
+ ATOM 1004 CG LYS A 125 109.636 11.602 17.559 1.00 85.85 C
1005
+ ATOM 1005 N LYS A 125 108.724 12.583 20.338 1.00 92.55 N
1006
+ ATOM 1006 NZ LYS A 125 109.207 10.909 13.800 1.00 70.25 N
1007
+ ATOM 1007 O LYS A 125 112.119 13.640 20.666 1.00 93.09 O
1008
+ ATOM 1008 C ILE A 126 111.416 15.220 23.093 1.00 93.39 C
1009
+ ATOM 1009 CA ILE A 126 110.868 15.777 21.780 1.00 93.99 C
1010
+ ATOM 1010 CB ILE A 126 109.931 16.973 22.055 1.00 93.38 C
1011
+ ATOM 1011 CD1 ILE A 126 108.530 18.787 20.909 1.00 88.66 C
1012
+ ATOM 1012 CG1 ILE A 126 109.519 17.643 20.739 1.00 91.38 C
1013
+ ATOM 1013 CG2 ILE A 126 110.602 17.980 22.995 1.00 90.84 C
1014
+ ATOM 1014 N ILE A 126 110.183 14.720 21.044 1.00 93.38 N
1015
+ ATOM 1015 O ILE A 126 112.567 15.477 23.451 1.00 92.46 O
1016
+ ATOM 1016 C ALA A 127 112.206 12.866 24.708 1.00 93.28 C
1017
+ ATOM 1017 CA ALA A 127 111.055 13.831 24.979 1.00 93.55 C
1018
+ ATOM 1018 CB ALA A 127 109.897 13.097 25.653 1.00 92.30 C
1019
+ ATOM 1019 N ALA A 127 110.602 14.468 23.745 1.00 93.49 N
1020
+ ATOM 1020 O ALA A 127 113.176 12.818 25.469 1.00 92.32 O
1021
+ ATOM 1021 C GLU A 128 114.490 11.989 22.988 1.00 93.65 C
1022
+ ATOM 1022 CA GLU A 128 113.188 11.230 23.233 1.00 93.66 C
1023
+ ATOM 1023 CB GLU A 128 112.807 10.423 21.990 1.00 92.02 C
1024
+ ATOM 1024 CD GLU A 128 111.265 8.679 20.971 1.00 77.56 C
1025
+ ATOM 1025 CG GLU A 128 111.713 9.395 22.237 1.00 82.26 C
1026
+ ATOM 1026 N GLU A 128 112.109 12.139 23.606 1.00 93.60 N
1027
+ ATOM 1027 O GLU A 128 115.558 11.555 23.422 1.00 92.93 O
1028
+ ATOM 1028 OE1 GLU A 128 111.871 8.907 19.899 1.00 75.38 O
1029
+ ATOM 1029 OE2 GLU A 128 110.302 7.886 21.052 1.00 73.99 O
1030
+ ATOM 1030 C ALA A 129 116.160 14.409 23.339 1.00 93.31 C
1031
+ ATOM 1031 CA ALA A 129 115.539 13.885 22.046 1.00 93.39 C
1032
+ ATOM 1032 CB ALA A 129 115.169 15.047 21.128 1.00 92.55 C
1033
+ ATOM 1033 N ALA A 129 114.366 13.062 22.324 1.00 93.14 N
1034
+ ATOM 1034 O ALA A 129 117.378 14.352 23.518 1.00 92.56 O
1035
+ ATOM 1035 C TYR A 130 116.495 14.297 26.300 1.00 93.14 C
1036
+ ATOM 1036 CA TYR A 130 115.820 15.388 25.478 1.00 93.92 C
1037
+ ATOM 1037 CB TYR A 130 114.667 16.005 26.276 1.00 93.26 C
1038
+ ATOM 1038 CD1 TYR A 130 115.714 17.961 27.482 1.00 88.47 C
1039
+ ATOM 1039 CD2 TYR A 130 114.923 16.120 28.782 1.00 88.22 C
1040
+ ATOM 1040 CE1 TYR A 130 116.124 18.612 28.640 1.00 88.78 C
1041
+ ATOM 1041 CE2 TYR A 130 115.330 16.762 29.947 1.00 88.59 C
1042
+ ATOM 1042 CG TYR A 130 115.109 16.708 27.535 1.00 91.68 C
1043
+ ATOM 1043 CZ TYR A 130 115.928 18.006 29.867 1.00 87.24 C
1044
+ ATOM 1044 N TYR A 130 115.339 14.861 24.206 1.00 93.74 N
1045
+ ATOM 1045 O TYR A 130 117.566 14.515 26.871 1.00 91.88 O
1046
+ ATOM 1046 OH TYR A 130 116.332 18.646 31.016 1.00 84.60 O
1047
+ ATOM 1047 C GLN A 131 117.855 11.586 26.429 1.00 92.73 C
1048
+ ATOM 1048 CA GLN A 131 116.512 11.997 27.027 1.00 92.99 C
1049
+ ATOM 1049 CB GLN A 131 115.554 10.804 27.035 1.00 91.06 C
1050
+ ATOM 1050 CD GLN A 131 114.645 11.314 29.343 1.00 74.42 C
1051
+ ATOM 1051 CG GLN A 131 114.314 11.019 27.892 1.00 80.06 C
1052
+ ATOM 1052 N GLN A 131 115.931 13.116 26.295 1.00 93.15 N
1053
+ ATOM 1053 NE2 GLN A 131 113.850 12.175 29.969 1.00 65.67 N
1054
+ ATOM 1054 O GLN A 131 118.785 11.236 27.160 1.00 91.48 O
1055
+ ATOM 1055 OE1 GLN A 131 115.607 10.771 29.896 1.00 71.57 O
1056
+ ATOM 1056 C MET A 132 120.260 12.348 24.975 1.00 92.42 C
1057
+ ATOM 1057 CA MET A 132 119.184 11.361 24.536 1.00 92.22 C
1058
+ ATOM 1058 CB MET A 132 119.024 11.403 23.016 1.00 90.14 C
1059
+ ATOM 1059 CE MET A 132 119.774 12.828 20.167 1.00 64.66 C
1060
+ ATOM 1060 CG MET A 132 120.288 11.036 22.255 1.00 78.19 C
1061
+ ATOM 1061 N MET A 132 117.914 11.647 25.196 1.00 92.33 N
1062
+ ATOM 1062 O MET A 132 121.397 11.956 25.243 1.00 91.51 O
1063
+ ATOM 1063 SD MET A 132 120.044 11.054 20.436 1.00 70.09 S
1064
+ ATOM 1064 C LEU A 133 121.291 14.383 26.927 1.00 92.12 C
1065
+ ATOM 1065 CA LEU A 133 120.864 14.604 25.479 1.00 92.79 C
1066
+ ATOM 1066 CB LEU A 133 120.247 15.997 25.326 1.00 92.25 C
1067
+ ATOM 1067 CD1 LEU A 133 119.258 17.798 23.888 1.00 87.75 C
1068
+ ATOM 1068 CD2 LEU A 133 121.418 16.707 23.222 1.00 87.73 C
1069
+ ATOM 1069 CG LEU A 133 120.065 16.503 23.894 1.00 90.87 C
1070
+ ATOM 1070 N LEU A 133 119.920 13.578 25.052 1.00 92.44 N
1071
+ ATOM 1071 O LEU A 133 122.450 14.614 27.278 1.00 90.84 O
1072
+ ATOM 1072 C LYS A 134 121.707 12.414 29.221 1.00 91.60 C
1073
+ ATOM 1073 CA LYS A 134 120.731 13.585 29.136 1.00 92.24 C
1074
+ ATOM 1074 CB LYS A 134 119.453 13.259 29.910 1.00 90.40 C
1075
+ ATOM 1075 CD LYS A 134 117.480 14.112 31.219 1.00 76.35 C
1076
+ ATOM 1076 CE LYS A 134 116.765 15.350 31.747 1.00 70.27 C
1077
+ ATOM 1077 CG LYS A 134 118.638 14.483 30.303 1.00 80.96 C
1078
+ ATOM 1078 N LYS A 134 120.421 13.912 27.748 1.00 92.49 N
1079
+ ATOM 1079 NZ LYS A 134 115.637 14.991 32.657 1.00 63.74 N
1080
+ ATOM 1080 O LYS A 134 122.674 12.458 29.983 1.00 90.05 O
1081
+ ATOM 1081 C LYS A 135 123.744 10.623 27.871 1.00 90.71 C
1082
+ ATOM 1082 CA LYS A 135 122.340 10.280 28.359 1.00 91.20 C
1083
+ ATOM 1083 CB LYS A 135 121.729 9.191 27.476 1.00 89.75 C
1084
+ ATOM 1084 CD LYS A 135 119.955 7.433 27.163 1.00 77.23 C
1085
+ ATOM 1085 CE LYS A 135 118.704 6.789 27.747 1.00 70.76 C
1086
+ ATOM 1086 CG LYS A 135 120.525 8.494 28.094 1.00 82.48 C
1087
+ ATOM 1087 N LYS A 135 121.485 11.463 28.379 1.00 91.32 N
1088
+ ATOM 1088 NZ LYS A 135 118.096 5.804 26.804 1.00 63.69 N
1089
+ ATOM 1089 O LYS A 135 124.725 10.017 28.309 1.00 89.22 O
1090
+ ATOM 1090 C GLN A 136 125.800 12.948 27.423 1.00 89.43 C
1091
+ ATOM 1091 CA GLN A 136 125.070 11.985 26.490 1.00 89.91 C
1092
+ ATOM 1092 CB GLN A 136 124.884 12.628 25.114 1.00 88.53 C
1093
+ ATOM 1093 CD GLN A 136 124.188 12.324 22.700 1.00 78.50 C
1094
+ ATOM 1094 CG GLN A 136 124.454 11.647 24.031 1.00 83.14 C
1095
+ ATOM 1095 N GLN A 136 123.782 11.588 27.048 1.00 90.20 N
1096
+ ATOM 1096 NE2 GLN A 136 124.129 11.532 21.634 1.00 74.89 N
1097
+ ATOM 1097 O GLN A 136 126.916 13.380 27.129 1.00 87.42 O
1098
+ ATOM 1098 OE1 GLN A 136 124.037 13.547 22.629 1.00 77.26 O
1099
+ ATOM 1099 C GLY A 137 125.756 15.681 29.013 1.00 90.42 C
1100
+ ATOM 1100 CA GLY A 137 125.785 14.216 29.408 1.00 90.44 C
1101
+ ATOM 1101 N GLY A 137 125.141 13.348 28.435 1.00 90.30 N
1102
+ ATOM 1102 O GLY A 137 126.508 16.491 29.557 1.00 89.04 O
1103
+ ATOM 1103 C ILE A 138 123.967 18.257 28.490 1.00 89.38 C
1104
+ ATOM 1104 CA ILE A 138 124.874 17.452 27.560 1.00 90.71 C
1105
+ ATOM 1105 CB ILE A 138 124.340 17.508 26.112 1.00 89.68 C
1106
+ ATOM 1106 CD1 ILE A 138 124.796 16.650 23.741 1.00 81.77 C
1107
+ ATOM 1107 CG1 ILE A 138 125.335 16.847 25.151 1.00 85.64 C
1108
+ ATOM 1108 CG2 ILE A 138 124.055 18.954 25.695 1.00 84.63 C
1109
+ ATOM 1109 N ILE A 138 124.977 16.079 28.040 1.00 90.49 N
1110
+ ATOM 1110 O ILE A 138 124.203 19.445 28.722 1.00 86.87 O
1111
+ ATOM 1111 C VAL A 139 122.519 17.882 31.462 1.00 81.97 C
1112
+ ATOM 1112 CA VAL A 139 121.992 18.198 30.065 1.00 87.41 C
1113
+ ATOM 1113 CB VAL A 139 120.541 17.688 29.915 1.00 84.50 C
1114
+ ATOM 1114 CG1 VAL A 139 119.638 18.308 30.980 1.00 77.03 C
1115
+ ATOM 1115 CG2 VAL A 139 120.010 17.996 28.515 1.00 75.59 C
1116
+ ATOM 1116 N VAL A 139 122.872 17.611 29.059 1.00 88.16 N
1117
+ ATOM 1117 O VAL A 139 122.828 16.728 31.770 1.00 75.44 O
1118
+ ATOM 1118 C LYS A 140 121.996 18.423 34.527 1.00 72.71 C
1119
+ ATOM 1119 CA LYS A 140 123.177 18.608 33.579 1.00 74.94 C
1120
+ ATOM 1120 CB LYS A 140 124.070 19.749 34.070 1.00 70.04 C
1121
+ ATOM 1121 CD LYS A 140 126.253 20.987 33.884 1.00 63.99 C
1122
+ ATOM 1122 CE LYS A 140 127.524 21.181 33.068 1.00 56.39 C
1123
+ ATOM 1123 CG LYS A 140 125.369 19.898 33.292 1.00 65.09 C
1124
+ ATOM 1124 N LYS A 140 122.722 18.864 32.216 1.00 76.06 N
1125
+ ATOM 1125 NZ LYS A 140 128.402 22.238 33.653 1.00 50.20 N
1126
+ ATOM 1126 O LYS A 140 120.931 19.011 34.323 1.00 68.01 O
1127
+ TER 1127 LYS A 140
1128
+ END
1ujj/1ujj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xb7/1xb7_ligand.mol2 ADDED
@@ -0,0 +1,332 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1xb7_ligand
7
+ 158 158 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -13.3380 71.0180 12.7420 N.4 1 SER 0.2396
14
+ 2 CA -12.4910 72.2520 12.8970 C.3 1 SER 0.0885
15
+ 3 C -11.8790 72.4070 14.2920 C.2 1 SER 0.2290
16
+ 4 O -10.6640 72.3470 14.4080 O.2 1 SER -0.3906
17
+ 5 CB -13.2520 73.5260 12.5130 C.3 1 SER 0.1041
18
+ 6 OG -12.3870 74.6720 12.5670 O.3 1 SER -0.3870
19
+ 7 N -12.6650 72.6110 15.3480 N.am 1 GLU -0.2608
20
+ 8 CA -12.1050 72.3910 16.7040 C.3 1 GLU 0.1326
21
+ 9 C -11.6570 70.9230 16.8050 C.2 1 GLU 0.2040
22
+ 10 O -10.5930 70.6010 17.3000 O.2 1 GLU -0.3944
23
+ 11 CB -13.1110 72.6770 17.8290 C.3 1 GLU -0.0008
24
+ 12 CG -13.2290 74.1310 18.2840 C.3 1 GLU 0.0044
25
+ 13 CD -11.8900 74.8160 18.5440 C.2 1 GLU 0.0350
26
+ 14 OE1 -11.1340 74.3890 19.4660 O.co2 1 GLU -0.5690
27
+ 15 OE2 -11.5910 75.7910 17.8090 O.co2 1 GLU -0.5690
28
+ 16 N -12.5140 70.0530 16.3150 N.am 1 LEU -0.2637
29
+ 17 CA -12.2330 68.6450 16.1820 C.3 1 LEU 0.1312
30
+ 18 C -10.9830 68.3990 15.3380 C.2 1 LEU 0.2039
31
+ 19 O -10.1580 67.5580 15.6850 O.2 1 LEU -0.3944
32
+ 20 CB -13.4580 67.9650 15.5700 C.3 1 LEU -0.0101
33
+ 21 CG -13.4020 66.4780 15.2880 C.3 1 LEU -0.0425
34
+ 22 CD1 -12.8200 65.6970 16.4580 C.3 1 LEU -0.0625
35
+ 23 CD2 -14.7910 65.9880 14.9340 C.3 1 LEU -0.0625
36
+ 24 N -10.8140 69.1250 14.2390 N.am 1 LEU -0.2637
37
+ 25 CA -9.5840 68.9400 13.4560 C.3 1 LEU 0.1312
38
+ 26 C -8.3610 69.3040 14.2860 C.2 1 LEU 0.2039
39
+ 27 O -7.3530 68.6050 14.2240 O.2 1 LEU -0.3944
40
+ 28 CB -9.5910 69.7170 12.1390 C.3 1 LEU -0.0101
41
+ 29 CG -8.3190 69.5270 11.3090 C.3 1 LEU -0.0425
42
+ 30 CD1 -8.2260 68.1260 10.7440 C.3 1 LEU -0.0625
43
+ 31 CD2 -8.2290 70.5620 10.1830 C.3 1 LEU -0.0625
44
+ 32 N -8.4530 70.3680 15.0800 N.am 1 LYS -0.2637
45
+ 33 CA -7.3250 70.7950 15.9070 C.3 1 LYS 0.1310
46
+ 34 C -6.9330 69.7530 16.9480 C.2 1 LYS 0.2040
47
+ 35 O -5.7490 69.4960 17.1320 O.2 1 LYS -0.3944
48
+ 36 CB -7.6080 72.1370 16.5790 C.3 1 LYS -0.0122
49
+ 37 CG -7.5850 73.3320 15.6280 C.3 1 LYS -0.0440
50
+ 38 CD -8.1660 74.5940 16.3010 C.3 1 LYS -0.0124
51
+ 39 CE -8.9590 75.4770 15.3140 C.3 1 LYS -0.0354
52
+ 40 NZ -9.8690 76.4480 16.0110 N.4 1 LYS 0.2185
53
+ 41 N -7.8950 69.1230 17.6220 N.am 1 TYR -0.2621
54
+ 42 CA -7.5020 68.0710 18.5890 C.3 1 TYR 0.1390
55
+ 43 C -7.0490 66.7720 17.9290 C.2 1 TYR 0.2057
56
+ 44 O -6.2600 66.0340 18.5240 O.2 1 TYR -0.3942
57
+ 45 CB -8.6060 67.7470 19.5810 C.3 1 TYR 0.0163
58
+ 46 CG -8.9400 68.8390 20.5700 C.ar 1 TYR -0.0493
59
+ 47 CD1 -10.0030 69.7070 20.3260 C.ar 1 TYR -0.0685
60
+ 48 CD2 -8.2340 68.9760 21.7650 C.ar 1 TYR -0.0685
61
+ 49 CE1 -10.3450 70.7000 21.2290 C.ar 1 TYR -0.0398
62
+ 50 CE2 -8.5760 69.9720 22.6980 C.ar 1 TYR -0.0398
63
+ 51 CZ -9.6400 70.8270 22.4150 C.ar 1 TYR 0.0805
64
+ 52 OH -10.0100 71.8060 23.3000 O.3 1 TYR -0.3376
65
+ 53 N -7.5290 66.4870 16.7200 N.am 1 LEU -0.2636
66
+ 54 CA -7.1540 65.2490 16.0340 C.3 1 LEU 0.1312
67
+ 55 C -5.7090 65.2560 15.5290 C.2 1 LEU 0.2040
68
+ 56 O -5.0450 64.2200 15.4650 O.2 1 LEU -0.3944
69
+ 57 CB -8.0720 64.9850 14.8490 C.3 1 LEU -0.0101
70
+ 58 CG -9.1420 63.9260 15.0690 C.3 1 LEU -0.0425
71
+ 59 CD1 -10.0680 63.9080 13.8710 C.3 1 LEU -0.0625
72
+ 60 CD2 -8.5080 62.5560 15.3020 C.3 1 LEU -0.0625
73
+ 61 N -5.2620 66.4410 15.1410 N.am 1 THR -0.2613
74
+ 62 CA -3.9750 66.6610 14.4810 C.3 1 THR 0.1565
75
+ 63 C -2.9540 67.2070 15.4620 C.2 1 THR 0.2066
76
+ 64 O -1.8220 67.4740 15.0790 O.2 1 THR -0.3943
77
+ 65 CB -4.1320 67.6390 13.3170 C.3 1 THR 0.0924
78
+ 66 OG1 -4.6380 68.8970 13.8000 O.3 1 THR -0.3874
79
+ 67 CG2 -5.1680 67.1310 12.3390 C.3 1 THR -0.0346
80
+ 68 N -3.3640 67.3850 16.7200 N.am 1 THR -0.2601
81
+ 69 CA -2.4140 67.5460 17.8220 C.3 1 THR 0.1677
82
+ 70 C -1.6120 66.2370 17.9400 C.2 1 THR 0.2597
83
+ 71 O -0.4710 66.2210 18.4180 O.2 1 THR -0.3679
84
+ 72 CB -3.1530 67.8200 19.1560 C.3 1 THR 0.0937
85
+ 73 OG1 -3.6580 69.1620 19.1670 O.3 1 THR -0.3873
86
+ 74 CG2 -2.2200 67.7810 20.3350 C.3 1 THR -0.0344
87
+ 75 O1 -2.1574 65.0993 17.5191 O.3 1 THR -0.2909
88
+ 76 H1 -13.7072 70.9794 11.8048 H 1 SER 0.2016
89
+ 77 H2 -14.0993 71.0479 13.4020 H 1 SER 0.2016
90
+ 78 H3 -12.7750 70.2000 12.9152 H 1 SER 0.2016
91
+ 79 H4 -11.6543 72.1472 12.1907 H 1 SER 0.1122
92
+ 80 H5 -14.0879 73.6717 13.2129 H 1 SER 0.0640
93
+ 81 H6 -13.6441 73.4178 11.4910 H 1 SER 0.0640
94
+ 82 H7 -11.6651 74.5513 11.9614 H 1 SER 0.2099
95
+ 83 H8 -13.6130 72.9063 15.2291 H 1 GLU 0.1885
96
+ 84 H9 -11.2353 73.0513 16.8365 H 1 GLU 0.0801
97
+ 85 H10 -12.8159 72.0765 18.7021 H 1 GLU 0.0330
98
+ 86 H11 -14.1031 72.3543 17.4804 H 1 GLU 0.0330
99
+ 87 H12 -13.8150 74.1548 19.2146 H 1 GLU 0.0433
100
+ 88 H13 -13.7590 74.6951 17.5024 H 1 GLU 0.0433
101
+ 89 H14 -13.4090 70.3865 16.0187 H 1 LEU 0.1883
102
+ 90 H15 -12.0581 68.2242 17.1832 H 1 LEU 0.0800
103
+ 91 H16 -13.6629 68.4680 14.6134 H 1 LEU 0.0315
104
+ 92 H17 -14.2987 68.1319 16.2595 H 1 LEU 0.0315
105
+ 93 H18 -12.7470 66.3177 14.4190 H 1 LEU 0.0298
106
+ 94 H19 -12.7987 64.6257 16.2093 H 1 LEU 0.0232
107
+ 95 H20 -13.4439 65.8540 17.3502 H 1 LEU 0.0232
108
+ 96 H21 -11.7969 66.0469 16.6598 H 1 LEU 0.0232
109
+ 97 H22 -15.1810 66.5719 14.0873 H 1 LEU 0.0232
110
+ 98 H23 -15.4557 66.1116 15.8017 H 1 LEU 0.0232
111
+ 99 H24 -14.7450 64.9247 14.6559 H 1 LEU 0.0232
112
+ 100 H25 -11.5089 69.7836 13.9503 H 1 LEU 0.1883
113
+ 101 H26 -9.5136 67.8714 13.2050 H 1 LEU 0.0800
114
+ 102 H27 -9.7006 70.7874 12.3673 H 1 LEU 0.0315
115
+ 103 H28 -10.4502 69.3797 11.5407 H 1 LEU 0.0315
116
+ 104 H29 -7.4587 69.6788 11.9774 H 1 LEU 0.0298
117
+ 105 H30 -7.3017 68.0286 10.1556 H 1 LEU 0.0232
118
+ 106 H31 -9.0945 67.9331 10.0970 H 1 LEU 0.0232
119
+ 107 H32 -8.2142 67.3981 11.5686 H 1 LEU 0.0232
120
+ 108 H33 -8.2980 71.5739 10.6088 H 1 LEU 0.0232
121
+ 109 H34 -9.0554 70.4054 9.4741 H 1 LEU 0.0232
122
+ 110 H35 -7.2690 70.4499 9.6578 H 1 LEU 0.0232
123
+ 111 H36 -9.3086 70.8847 15.1117 H 1 LYS 0.1883
124
+ 112 H37 -6.4631 70.9317 15.2373 H 1 LYS 0.0800
125
+ 113 H38 -6.8472 72.3005 17.3564 H 1 LYS 0.0312
126
+ 114 H39 -8.6032 72.0863 17.0448 H 1 LYS 0.0312
127
+ 115 H40 -8.1841 73.0928 14.7370 H 1 LYS 0.0269
128
+ 116 H41 -6.5457 73.5318 15.3283 H 1 LYS 0.0269
129
+ 117 H42 -7.3371 75.1859 16.7164 H 1 LYS 0.0317
130
+ 118 H43 -8.8380 74.2827 17.1143 H 1 LYS 0.0317
131
+ 119 H44 -9.5666 74.8258 14.6685 H 1 LYS 0.0813
132
+ 120 H45 -8.2461 76.0432 14.6966 H 1 LYS 0.0813
133
+ 121 H46 -10.3617 76.9983 15.3251 H 1 LYS 0.1994
134
+ 122 H47 -9.3229 77.0564 16.6006 H 1 LYS 0.1994
135
+ 123 H48 -10.5330 75.9408 16.5748 H 1 LYS 0.1994
136
+ 124 H49 -8.8573 69.3543 17.4788 H 1 TYR 0.1885
137
+ 125 H50 -6.6480 68.4680 19.1574 H 1 TYR 0.0821
138
+ 126 H51 -8.2981 66.8579 20.1507 H 1 TYR 0.0453
139
+ 127 H52 -9.5176 67.5186 19.0093 H 1 TYR 0.0453
140
+ 128 H53 -10.5739 69.6027 19.4104 H 1 TYR 0.0530
141
+ 129 H54 -7.4096 68.3052 21.9781 H 1 TYR 0.0530
142
+ 130 H55 -11.1627 71.3765 21.0082 H 1 TYR 0.0525
143
+ 131 H56 -8.0203 70.0730 23.6232 H 1 TYR 0.0525
144
+ 132 H57 -10.7474 72.2891 22.9460 H 1 TYR 0.2458
145
+ 133 H58 -8.1544 67.1275 16.2743 H 1 LEU 0.1883
146
+ 134 H59 -7.2622 64.4234 16.7527 H 1 LEU 0.0800
147
+ 135 H60 -7.4476 64.6642 14.0021 H 1 LEU 0.0315
148
+ 136 H61 -8.5771 65.9287 14.5954 H 1 LEU 0.0315
149
+ 137 H62 -9.7263 64.1927 15.9620 H 1 LEU 0.0298
150
+ 138 H63 -10.8460 63.1448 14.0204 H 1 LEU 0.0232
151
+ 139 H64 -9.4910 63.6708 12.9650 H 1 LEU 0.0232
152
+ 140 H65 -10.5398 64.8952 13.7573 H 1 LEU 0.0232
153
+ 141 H66 -7.8431 62.6037 16.1770 H 1 LEU 0.0232
154
+ 142 H67 -7.9262 62.2655 14.4148 H 1 LEU 0.0232
155
+ 143 H68 -9.2981 61.8121 15.4821 H 1 LEU 0.0232
156
+ 144 H69 -5.8424 67.2376 15.3103 H 1 THR 0.1884
157
+ 145 H70 -3.6122 65.6987 14.0906 H 1 THR 0.0826
158
+ 146 H71 -3.1628 67.7776 12.8155 H 1 THR 0.0639
159
+ 147 H72 -5.4763 68.7578 14.2247 H 1 THR 0.2101
160
+ 148 H73 -5.2692 67.8449 11.5083 H 1 THR 0.0257
161
+ 149 H74 -6.1355 67.0254 12.8516 H 1 THR 0.0257
162
+ 150 H75 -4.8527 66.1533 11.9458 H 1 THR 0.0257
163
+ 151 H76 -4.3446 67.4089 16.9143 H 1 THR 0.1885
164
+ 152 H77 -1.7348 68.3836 17.6048 H 1 THR 0.0843
165
+ 153 H78 -3.9664 67.0900 19.2806 H 1 THR 0.0641
166
+ 154 H79 -4.2644 69.2769 18.4448 H 1 THR 0.2101
167
+ 155 H80 -2.7858 67.9801 21.2571 H 1 THR 0.0257
168
+ 156 H81 -1.4400 68.5467 20.2109 H 1 THR 0.0257
169
+ 157 H82 -1.7518 66.7877 20.3994 H 1 THR 0.0257
170
+ 158 H83 -2.2138 64.4889 18.2449 H 1 THR 0.2540
171
+ @<TRIPOS>BOND
172
+ 1 2 1 1
173
+ 2 2 5 1
174
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175
+ 4 3 4 2
176
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177
+ 6 8 7 1
178
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179
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182
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184
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185
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186
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187
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188
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189
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191
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193
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194
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196
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200
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201
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203
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204
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+ $$$$
1xb7/1xb7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xb7/1xb7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2e92/2e92_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
3
+ ###
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+ M END
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+ $$$$
2fjm/2fjm_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2fjm/2fjm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ggd/2ggd_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 2ggd_ligand
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+
2ggd/2ggd_ligand.sdf ADDED
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+ 2ggd_ligand
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+ -I-interpret-
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+ $$$$
2ggd/2ggd_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ggd/2ggd_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2j75/2j75_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:54 2018
3
+ ###
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+
5
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+
2j75/2j75_ligand.sdf ADDED
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1
+ 2j75_ligand
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+ -I-interpret-
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+
4
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+ M END
56
+ $$$$