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linbc20 commited on
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1 Parent(s): 51accc7

Add batch 66

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  1. 1br5/1br5_ligand.mol2 +75 -0
  2. 1br5/1br5_ligand.sdf +65 -0
  3. 1br5/1br5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1br5/1br5_protein_processed_fix.pdb +0 -0
  5. 1d8m/1d8m_ligand.mol2 +118 -0
  6. 1d8m/1d8m_ligand.sdf +108 -0
  7. 1d8m/1d8m_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1d8m/1d8m_protein_processed_fix.pdb +0 -0
  9. 1pph/1pph_ligand.mol2 +136 -0
  10. 1pph/1pph_ligand.sdf +124 -0
  11. 1pph/1pph_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1pph/1pph_protein_processed_fix.pdb +0 -0
  13. 1pun/1pun_ligand.mol2 +90 -0
  14. 1pun/1pun_ligand.sdf +84 -0
  15. 1pun/1pun_protein_esmfold_aligned_tr_fix.pdb +1056 -0
  16. 1pun/1pun_protein_processed_fix.pdb +0 -0
  17. 1vyq/1vyq_ligand.mol2 +140 -0
  18. 1vyq/1vyq_ligand.sdf +130 -0
  19. 1vyq/1vyq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1vyq/1vyq_protein_processed_fix.pdb +0 -0
  21. 1yc4/1yc4_ligand.mol2 +86 -0
  22. 1yc4/1yc4_ligand.sdf +72 -0
  23. 1yc4/1yc4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1yc4/1yc4_protein_processed_fix.pdb +0 -0
  25. 2a8g/2a8g_ligand.mol2 +82 -0
  26. 2a8g/2a8g_ligand.sdf +72 -0
  27. 2a8g/2a8g_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 2a8g/2a8g_protein_processed_fix.pdb +0 -0
  29. 2hvx/2hvx_ligand.mol2 +101 -0
  30. 2hvx/2hvx_ligand.sdf +95 -0
  31. 2hvx/2hvx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 2hvx/2hvx_protein_processed_fix.pdb +0 -0
  33. 2mnz/2mnz_ligand.mol2 +357 -0
  34. 2mnz/2mnz_ligand.sdf +345 -0
  35. 2mnz/2mnz_protein_esmfold_aligned_tr_fix.pdb +428 -0
  36. 2mnz/2mnz_protein_processed_fix.pdb +821 -0
  37. 2q94/2q94_ligand.mol2 +67 -0
  38. 2q94/2q94_ligand.sdf +59 -0
  39. 2q94/2q94_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2q94/2q94_protein_processed_fix.pdb +0 -0
  41. 3as1/3as1_ligand.mol2 +110 -0
  42. 3as1/3as1_ligand.sdf +100 -0
  43. 3as1/3as1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 3as1/3as1_protein_processed_fix.pdb +0 -0
  45. 3djx/3djx_ligand.mol2 +85 -0
  46. 3djx/3djx_ligand.sdf +75 -0
  47. 3djx/3djx_protein_fix.pdb +0 -0
  48. 3ebb/3ebb_ligand.mol2 +140 -0
  49. 3ebb/3ebb_ligand.sdf +134 -0
  50. 3ebb/3ebb_protein_esmfold_aligned_tr_fix.pdb +0 -0
1br5/1br5_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1br5_ligand
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+ SMALL
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+ 8 5 12 1
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1br5/1br5_ligand.sdf ADDED
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+ M END
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+ $$$$
1br5/1br5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1br5/1br5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1d8m/1d8m_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1d8m_ligand
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+ 50 52 1 0 0
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+ SMALL
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+ GAST_HUCK
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1d8m/1d8m_ligand.sdf ADDED
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+ M END
84
+ $$$$
1pun/1pun_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1056 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C MET A 1 -10.406 -19.532 0.319 1.00 80.00 C
2
+ ATOM 2 CA MET A 1 -11.454 -20.065 1.292 1.00 80.79 C
3
+ ATOM 3 CB MET A 1 -10.854 -20.180 2.694 1.00 73.35 C
4
+ ATOM 4 CE MET A 1 -9.835 -19.833 5.851 1.00 55.45 C
5
+ ATOM 5 CG MET A 1 -10.486 -18.843 3.315 1.00 64.62 C
6
+ ATOM 6 N MET A 1 -11.970 -21.356 0.845 1.00 78.25 N
7
+ ATOM 7 O MET A 1 -9.381 -20.175 0.091 1.00 73.94 O
8
+ ATOM 8 SD MET A 1 -11.022 -18.709 5.065 1.00 61.50 S
9
+ ATOM 9 C LYS A 2 -8.480 -17.116 -0.494 1.00 85.87 C
10
+ ATOM 10 CA LYS A 2 -9.633 -17.780 -1.241 1.00 84.49 C
11
+ ATOM 11 CB LYS A 2 -10.347 -16.754 -2.123 1.00 81.12 C
12
+ ATOM 12 CD LYS A 2 -10.353 -15.398 -4.244 1.00 68.19 C
13
+ ATOM 13 CE LYS A 2 -9.536 -14.928 -5.439 1.00 59.87 C
14
+ ATOM 14 CG LYS A 2 -9.538 -16.305 -3.330 1.00 71.55 C
15
+ ATOM 15 N LYS A 2 -10.574 -18.401 -0.313 1.00 84.13 N
16
+ ATOM 16 NZ LYS A 2 -10.352 -14.099 -6.376 1.00 51.02 N
17
+ ATOM 17 O LYS A 2 -8.688 -16.484 0.544 1.00 84.08 O
18
+ ATOM 18 C LYS A 3 -5.677 -15.650 -1.304 1.00 88.18 C
19
+ ATOM 19 CA LYS A 3 -6.171 -16.746 -0.363 1.00 88.21 C
20
+ ATOM 20 CB LYS A 3 -5.055 -17.761 -0.109 1.00 85.98 C
21
+ ATOM 21 CD LYS A 3 -4.208 -19.722 1.221 1.00 76.45 C
22
+ ATOM 22 CE LYS A 3 -4.535 -20.749 2.298 1.00 69.80 C
23
+ ATOM 23 CG LYS A 3 -5.374 -18.773 0.981 1.00 79.81 C
24
+ ATOM 24 N LYS A 3 -7.353 -17.410 -0.904 1.00 87.96 N
25
+ ATOM 25 NZ LYS A 3 -3.402 -21.696 2.522 1.00 61.68 N
26
+ ATOM 26 O LYS A 3 -5.486 -15.889 -2.498 1.00 86.37 O
27
+ ATOM 27 C LEU A 4 -3.946 -12.666 -0.979 1.00 89.98 C
28
+ ATOM 28 CA LEU A 4 -5.170 -13.355 -1.573 1.00 89.17 C
29
+ ATOM 29 CB LEU A 4 -6.326 -12.358 -1.689 1.00 87.41 C
30
+ ATOM 30 CD1 LEU A 4 -8.726 -11.852 -2.209 1.00 72.20 C
31
+ ATOM 31 CD2 LEU A 4 -7.356 -13.211 -3.813 1.00 72.17 C
32
+ ATOM 32 CG LEU A 4 -7.606 -12.878 -2.346 1.00 79.79 C
33
+ ATOM 33 N LEU A 4 -5.564 -14.503 -0.764 1.00 89.04 N
34
+ ATOM 34 O LEU A 4 -3.793 -12.605 0.243 1.00 89.46 O
35
+ ATOM 35 C GLN A 5 -2.168 -9.992 -2.035 1.00 92.34 C
36
+ ATOM 36 CA GLN A 5 -2.011 -11.384 -1.430 1.00 92.07 C
37
+ ATOM 37 CB GLN A 5 -0.694 -12.011 -1.890 1.00 90.76 C
38
+ ATOM 38 CD GLN A 5 1.040 -13.767 -1.329 1.00 81.21 C
39
+ ATOM 39 CG GLN A 5 -0.429 -13.388 -1.298 1.00 84.86 C
40
+ ATOM 40 N GLN A 5 -3.138 -12.241 -1.783 1.00 91.84 N
41
+ ATOM 41 NE2 GLN A 5 1.319 -15.064 -1.245 1.00 76.15 N
42
+ ATOM 42 O GLN A 5 -2.352 -9.853 -3.246 1.00 91.81 O
43
+ ATOM 43 OE1 GLN A 5 1.916 -12.903 -1.429 1.00 79.33 O
44
+ ATOM 44 C ILE A 6 -1.140 -6.790 -1.285 1.00 93.11 C
45
+ ATOM 45 CA ILE A 6 -2.350 -7.667 -1.599 1.00 92.58 C
46
+ ATOM 46 CB ILE A 6 -3.614 -7.105 -0.911 1.00 91.52 C
47
+ ATOM 47 CD1 ILE A 6 -5.225 -8.252 -2.540 1.00 77.68 C
48
+ ATOM 48 CG1 ILE A 6 -4.794 -8.068 -1.092 1.00 83.15 C
49
+ ATOM 49 CG2 ILE A 6 -3.952 -5.715 -1.456 1.00 83.10 C
50
+ ATOM 50 N ILE A 6 -2.084 -9.041 -1.186 1.00 92.38 N
51
+ ATOM 51 O ILE A 6 -0.619 -6.818 -0.168 1.00 92.82 O
52
+ ATOM 52 C ALA A 7 -0.298 -3.604 -1.904 1.00 94.26 C
53
+ ATOM 53 CA ALA A 7 0.348 -4.983 -2.009 1.00 94.25 C
54
+ ATOM 54 CB ALA A 7 1.370 -5.003 -3.142 1.00 93.49 C
55
+ ATOM 55 N ALA A 7 -0.659 -6.021 -2.213 1.00 94.06 N
56
+ ATOM 56 O ALA A 7 -1.076 -3.208 -2.774 1.00 93.78 O
57
+ ATOM 57 C VAL A 8 0.409 -0.572 -0.337 1.00 94.98 C
58
+ ATOM 58 CA VAL A 8 -0.632 -1.667 -0.554 1.00 94.80 C
59
+ ATOM 59 CB VAL A 8 -1.533 -1.800 0.695 1.00 93.99 C
60
+ ATOM 60 CG1 VAL A 8 -2.240 -0.478 0.993 1.00 88.34 C
61
+ ATOM 61 CG2 VAL A 8 -2.552 -2.922 0.501 1.00 88.36 C
62
+ ATOM 62 N VAL A 8 0.033 -2.926 -0.871 1.00 94.62 N
63
+ ATOM 63 O VAL A 8 1.403 -0.781 0.363 1.00 94.70 O
64
+ ATOM 64 C GLY A 9 0.496 2.729 0.264 1.00 95.08 C
65
+ ATOM 65 CA GLY A 9 1.063 1.704 -0.700 1.00 95.14 C
66
+ ATOM 66 N GLY A 9 0.182 0.566 -0.908 1.00 95.04 N
67
+ ATOM 67 O GLY A 9 -0.656 3.145 0.130 1.00 94.60 O
68
+ ATOM 68 C ILE A 10 1.717 5.469 1.680 1.00 95.67 C
69
+ ATOM 69 CA ILE A 10 0.901 4.251 2.113 1.00 95.77 C
70
+ ATOM 70 CB ILE A 10 1.184 3.919 3.596 1.00 95.35 C
71
+ ATOM 71 CD1 ILE A 10 0.858 2.084 5.354 1.00 91.52 C
72
+ ATOM 72 CG1 ILE A 10 0.418 2.659 4.015 1.00 93.85 C
73
+ ATOM 73 CG2 ILE A 10 0.821 5.104 4.494 1.00 93.69 C
74
+ ATOM 74 N ILE A 10 1.205 3.120 1.245 1.00 95.72 N
75
+ ATOM 75 O ILE A 10 2.895 5.587 2.022 1.00 95.21 O
76
+ ATOM 76 C ILE A 11 1.705 8.638 1.328 1.00 94.71 C
77
+ ATOM 77 CA ILE A 11 1.808 7.472 0.347 1.00 95.08 C
78
+ ATOM 78 CB ILE A 11 1.225 7.874 -1.026 1.00 94.62 C
79
+ ATOM 79 CD1 ILE A 11 0.231 6.819 -3.139 1.00 90.31 C
80
+ ATOM 80 CG1 ILE A 11 1.191 6.665 -1.968 1.00 92.89 C
81
+ ATOM 81 CG2 ILE A 11 2.030 9.024 -1.639 1.00 92.39 C
82
+ ATOM 82 N ILE A 11 1.125 6.305 0.895 1.00 94.98 N
83
+ ATOM 83 O ILE A 11 0.620 9.179 1.548 1.00 93.99 O
84
+ ATOM 84 C ARG A 12 3.720 11.226 2.411 1.00 94.25 C
85
+ ATOM 85 CA ARG A 12 2.867 10.049 2.871 1.00 94.47 C
86
+ ATOM 86 CB ARG A 12 3.410 9.492 4.188 1.00 93.60 C
87
+ ATOM 87 CD ARG A 12 3.898 9.876 6.630 1.00 88.49 C
88
+ ATOM 88 CG ARG A 12 3.407 10.497 5.330 1.00 90.65 C
89
+ ATOM 89 CZ ARG A 12 6.049 9.141 7.603 1.00 82.67 C
90
+ ATOM 90 N ARG A 12 2.821 9.004 1.853 1.00 94.55 N
91
+ ATOM 91 NE ARG A 12 5.354 9.767 6.658 1.00 85.44 N
92
+ ATOM 92 NH1 ARG A 12 5.431 8.553 8.622 1.00 74.50 N
93
+ ATOM 93 NH2 ARG A 12 7.371 9.102 7.531 1.00 73.43 N
94
+ ATOM 94 O ARG A 12 4.881 11.049 2.036 1.00 93.53 O
95
+ ATOM 95 C ASN A 13 4.508 14.288 3.255 1.00 92.39 C
96
+ ATOM 96 CA ASN A 13 3.874 13.562 2.071 1.00 92.83 C
97
+ ATOM 97 CB ASN A 13 2.967 14.514 1.288 1.00 92.27 C
98
+ ATOM 98 CG ASN A 13 1.901 15.152 2.157 1.00 91.09 C
99
+ ATOM 99 N ASN A 13 3.129 12.383 2.502 1.00 92.96 N
100
+ ATOM 100 ND2 ASN A 13 0.862 15.684 1.525 1.00 89.79 N
101
+ ATOM 101 O ASN A 13 4.365 13.859 4.400 1.00 91.33 O
102
+ ATOM 102 OD1 ASN A 13 2.010 15.166 3.385 1.00 89.56 O
103
+ ATOM 103 C GLU A 14 5.074 16.776 5.090 1.00 90.93 C
104
+ ATOM 104 CA GLU A 14 5.981 16.097 4.068 1.00 90.87 C
105
+ ATOM 105 CB GLU A 14 6.905 17.129 3.417 1.00 88.79 C
106
+ ATOM 106 CD GLU A 14 8.826 17.564 1.813 1.00 73.76 C
107
+ ATOM 107 CG GLU A 14 7.926 16.526 2.465 1.00 78.96 C
108
+ ATOM 108 N GLU A 14 5.202 15.394 3.055 1.00 91.30 N
109
+ ATOM 109 O GLU A 14 5.511 17.108 6.194 1.00 89.61 O
110
+ ATOM 110 OE1 GLU A 14 8.559 18.778 1.963 1.00 68.90 O
111
+ ATOM 111 OE2 GLU A 14 9.804 17.160 1.145 1.00 65.60 O
112
+ ATOM 112 C ASN A 15 2.175 16.510 6.499 1.00 90.85 C
113
+ ATOM 113 CA ASN A 15 2.900 17.542 5.640 1.00 91.10 C
114
+ ATOM 114 CB ASN A 15 1.891 18.382 4.854 1.00 89.68 C
115
+ ATOM 115 CG ASN A 15 2.531 19.575 4.171 1.00 84.06 C
116
+ ATOM 116 N ASN A 15 3.856 16.912 4.737 1.00 91.35 N
117
+ ATOM 117 ND2 ASN A 15 2.014 19.938 3.003 1.00 78.33 N
118
+ ATOM 118 O ASN A 15 1.173 16.825 7.142 1.00 89.48 O
119
+ ATOM 119 OD1 ASN A 15 3.482 20.166 4.689 1.00 79.08 O
120
+ ATOM 120 C ASN A 16 0.595 13.895 6.777 1.00 92.17 C
121
+ ATOM 121 CA ASN A 16 2.022 14.199 7.224 1.00 92.10 C
122
+ ATOM 122 CB ASN A 16 2.057 14.495 8.725 1.00 90.09 C
123
+ ATOM 123 CG ASN A 16 3.392 14.152 9.357 1.00 82.30 C
124
+ ATOM 124 N ASN A 16 2.596 15.308 6.470 1.00 92.13 N
125
+ ATOM 125 ND2 ASN A 16 3.788 14.925 10.360 1.00 74.00 N
126
+ ATOM 126 O ASN A 16 -0.257 13.551 7.597 1.00 90.70 O
127
+ ATOM 127 OD1 ASN A 16 4.060 13.200 8.946 1.00 73.88 O
128
+ ATOM 128 C GLU A 17 -0.744 12.375 4.083 1.00 93.78 C
129
+ ATOM 129 CA GLU A 17 -0.915 13.671 4.871 1.00 93.71 C
130
+ ATOM 130 CB GLU A 17 -1.436 14.780 3.952 1.00 92.94 C
131
+ ATOM 131 CD GLU A 17 -1.887 17.266 3.687 1.00 87.57 C
132
+ ATOM 132 CG GLU A 17 -1.623 16.119 4.651 1.00 89.96 C
133
+ ATOM 133 N GLU A 17 0.337 14.075 5.504 1.00 93.58 N
134
+ ATOM 134 O GLU A 17 0.312 12.137 3.491 1.00 93.33 O
135
+ ATOM 135 OE1 GLU A 17 -1.245 17.316 2.613 1.00 85.75 O
136
+ ATOM 136 OE2 GLU A 17 -2.742 18.121 4.010 1.00 85.55 O
137
+ ATOM 137 C ILE A 18 -2.695 10.393 2.237 1.00 94.39 C
138
+ ATOM 138 CA ILE A 18 -1.769 10.302 3.447 1.00 94.35 C
139
+ ATOM 139 CB ILE A 18 -2.231 9.169 4.392 1.00 93.42 C
140
+ ATOM 140 CD1 ILE A 18 0.086 8.807 5.426 1.00 79.68 C
141
+ ATOM 141 CG1 ILE A 18 -1.377 9.155 5.665 1.00 85.58 C
142
+ ATOM 142 CG2 ILE A 18 -2.174 7.814 3.678 1.00 85.28 C
143
+ ATOM 143 N ILE A 18 -1.728 11.587 4.136 1.00 94.23 N
144
+ ATOM 144 O ILE A 18 -3.784 10.966 2.323 1.00 93.90 O
145
+ ATOM 145 C PHE A 19 -4.070 8.715 0.056 1.00 93.50 C
146
+ ATOM 146 CA PHE A 19 -3.090 9.879 -0.036 1.00 93.70 C
147
+ ATOM 147 CB PHE A 19 -2.252 9.761 -1.312 1.00 93.33 C
148
+ ATOM 148 CD1 PHE A 19 -3.272 11.318 -3.006 1.00 91.12 C
149
+ ATOM 149 CD2 PHE A 19 -3.521 8.962 -3.330 1.00 90.92 C
150
+ ATOM 150 CE1 PHE A 19 -3.992 11.560 -4.173 1.00 90.17 C
151
+ ATOM 151 CE2 PHE A 19 -4.242 9.197 -4.498 1.00 90.43 C
152
+ ATOM 152 CG PHE A 19 -3.030 10.019 -2.574 1.00 92.65 C
153
+ ATOM 153 CZ PHE A 19 -4.477 10.496 -4.917 1.00 89.72 C
154
+ ATOM 154 N PHE A 19 -2.229 9.924 1.141 1.00 93.60 N
155
+ ATOM 155 O PHE A 19 -3.659 7.557 0.145 1.00 92.84 O
156
+ ATOM 156 C ILE A 20 -7.375 8.018 -0.986 1.00 92.16 C
157
+ ATOM 157 CA ILE A 20 -6.441 8.061 0.221 1.00 92.65 C
158
+ ATOM 158 CB ILE A 20 -7.236 8.392 1.504 1.00 91.85 C
159
+ ATOM 159 CD1 ILE A 20 -5.676 7.009 2.994 1.00 84.25 C
160
+ ATOM 160 CG1 ILE A 20 -6.312 8.366 2.727 1.00 87.55 C
161
+ ATOM 161 CG2 ILE A 20 -8.406 7.419 1.680 1.00 86.77 C
162
+ ATOM 162 N ILE A 20 -5.377 9.032 -0.013 1.00 92.81 N
163
+ ATOM 163 O ILE A 20 -7.682 9.056 -1.578 1.00 91.04 O
164
+ ATOM 164 C THR A 21 -9.999 5.986 -1.790 1.00 89.27 C
165
+ ATOM 165 CA THR A 21 -8.763 6.661 -2.379 1.00 89.88 C
166
+ ATOM 166 CB THR A 21 -8.223 5.819 -3.549 1.00 88.76 C
167
+ ATOM 167 CG2 THR A 21 -7.036 6.504 -4.217 1.00 82.31 C
168
+ ATOM 168 N THR A 21 -7.745 6.860 -1.355 1.00 90.41 N
169
+ ATOM 169 O THR A 21 -10.024 5.651 -0.604 1.00 87.49 O
170
+ ATOM 170 OG1 THR A 21 -7.806 4.539 -3.057 1.00 83.34 O
171
+ ATOM 171 C ARG A 22 -12.526 4.066 -2.978 1.00 86.98 C
172
+ ATOM 172 CA ARG A 22 -12.193 5.261 -2.089 1.00 87.23 C
173
+ ATOM 173 CB ARG A 22 -13.331 6.283 -2.137 1.00 85.84 C
174
+ ATOM 174 CD ARG A 22 -15.688 6.887 -1.487 1.00 80.93 C
175
+ ATOM 175 CG ARG A 22 -14.611 5.811 -1.466 1.00 82.32 C
176
+ ATOM 176 CZ ARG A 22 -15.414 8.153 0.619 1.00 73.76 C
177
+ ATOM 177 N ARG A 22 -10.932 5.877 -2.490 1.00 87.49 N
178
+ ATOM 178 NE ARG A 22 -15.298 8.054 -0.703 1.00 76.11 N
179
+ ATOM 179 NH1 ARG A 22 -15.913 7.151 1.332 1.00 68.49 N
180
+ ATOM 180 NH2 ARG A 22 -15.027 9.263 1.232 1.00 67.19 N
181
+ ATOM 181 O ARG A 22 -12.411 4.146 -4.203 1.00 85.55 O
182
+ ATOM 182 C ARG A 23 -14.496 1.971 -3.886 1.00 83.46 C
183
+ ATOM 183 CA ARG A 23 -13.243 1.754 -3.045 1.00 83.94 C
184
+ ATOM 184 CB ARG A 23 -13.451 0.576 -2.090 1.00 83.26 C
185
+ ATOM 185 CD ARG A 23 -12.442 -1.056 -0.458 1.00 82.79 C
186
+ ATOM 186 CG ARG A 23 -12.182 0.125 -1.383 1.00 82.95 C
187
+ ATOM 187 CZ ARG A 23 -11.725 -3.118 -1.619 1.00 77.74 C
188
+ ATOM 188 N ARG A 23 -12.895 2.961 -2.302 1.00 84.23 N
189
+ ATOM 189 NE ARG A 23 -12.678 -2.286 -1.208 1.00 77.70 N
190
+ ATOM 190 NH1 ARG A 23 -10.447 -2.866 -1.359 1.00 75.94 N
191
+ ATOM 191 NH2 ARG A 23 -12.052 -4.210 -2.294 1.00 75.81 N
192
+ ATOM 192 O ARG A 23 -15.429 2.651 -3.455 1.00 81.55 O
193
+ ATOM 193 C ALA A 24 -16.834 0.884 -5.395 1.00 80.62 C
194
+ ATOM 194 CA ALA A 24 -15.567 1.502 -5.979 1.00 79.78 C
195
+ ATOM 195 CB ALA A 24 -15.224 0.846 -7.314 1.00 78.22 C
196
+ ATOM 196 N ALA A 24 -14.447 1.380 -5.049 1.00 79.80 N
197
+ ATOM 197 O ALA A 24 -16.766 0.043 -4.496 1.00 79.49 O
198
+ ATOM 198 C ALA A 25 -19.446 -0.677 -5.585 1.00 78.98 C
199
+ ATOM 199 CA ALA A 25 -19.252 0.824 -5.386 1.00 79.20 C
200
+ ATOM 200 CB ALA A 25 -20.370 1.599 -6.078 1.00 75.80 C
201
+ ATOM 201 N ALA A 25 -17.949 1.255 -5.886 1.00 78.93 N
202
+ ATOM 202 O ALA A 25 -20.216 -1.310 -4.858 1.00 76.75 O
203
+ ATOM 203 C ASP A 26 -17.943 -3.613 -6.184 1.00 78.17 C
204
+ ATOM 204 CA ASP A 26 -19.077 -2.764 -6.757 1.00 80.03 C
205
+ ATOM 205 CB ASP A 26 -19.205 -3.006 -8.262 1.00 75.13 C
206
+ ATOM 206 CG ASP A 26 -17.974 -2.572 -9.040 1.00 68.62 C
207
+ ATOM 207 N ASP A 26 -18.860 -1.347 -6.483 1.00 79.79 N
208
+ ATOM 208 O ASP A 26 -17.884 -4.821 -6.424 1.00 74.15 O
209
+ ATOM 209 OD1 ASP A 26 -17.108 -1.874 -8.471 1.00 67.35 O
210
+ ATOM 210 OD2 ASP A 26 -17.872 -2.930 -10.233 1.00 76.42 O
211
+ ATOM 211 C ALA A 27 -16.360 -4.253 -3.469 1.00 79.24 C
212
+ ATOM 212 CA ALA A 27 -16.010 -3.695 -4.845 1.00 77.64 C
213
+ ATOM 213 CB ALA A 27 -14.785 -2.788 -4.752 1.00 75.58 C
214
+ ATOM 214 N ALA A 27 -17.138 -2.969 -5.421 1.00 77.78 N
215
+ ATOM 215 O ALA A 27 -17.365 -3.861 -2.871 1.00 77.47 O
216
+ ATOM 216 C HIS A 28 -15.417 -4.572 -0.673 1.00 82.25 C
217
+ ATOM 217 CA HIS A 28 -15.601 -5.744 -1.631 1.00 81.20 C
218
+ ATOM 218 CB HIS A 28 -14.549 -6.818 -1.354 1.00 77.98 C
219
+ ATOM 219 CD2 HIS A 28 -15.378 -8.416 0.514 1.00 70.07 C
220
+ ATOM 220 CE1 HIS A 28 -14.165 -7.625 2.161 1.00 68.60 C
221
+ ATOM 221 CG HIS A 28 -14.631 -7.399 0.021 1.00 73.06 C
222
+ ATOM 222 N HIS A 28 -15.531 -5.305 -3.020 1.00 79.88 N
223
+ ATOM 223 ND1 HIS A 28 -13.882 -6.924 1.076 1.00 70.38 N
224
+ ATOM 224 NE2 HIS A 28 -15.070 -8.537 1.847 1.00 64.97 N
225
+ ATOM 225 O HIS A 28 -14.501 -3.764 -0.842 1.00 80.34 O
226
+ ATOM 226 C MET A 29 -16.540 -1.972 0.591 1.00 82.64 C
227
+ ATOM 227 CA MET A 29 -16.435 -3.331 1.275 1.00 82.14 C
228
+ ATOM 228 CB MET A 29 -15.178 -3.383 2.146 1.00 78.00 C
229
+ ATOM 229 CE MET A 29 -14.098 -6.040 5.214 1.00 61.03 C
230
+ ATOM 230 CG MET A 29 -15.073 -4.639 2.995 1.00 71.58 C
231
+ ATOM 231 N MET A 29 -16.422 -4.409 0.290 1.00 80.51 N
232
+ ATOM 232 O MET A 29 -15.790 -1.049 0.916 1.00 79.89 O
233
+ ATOM 233 SD MET A 29 -13.802 -4.493 4.311 1.00 70.96 S
234
+ ATOM 234 C ALA A 30 -17.726 0.626 -0.355 1.00 82.69 C
235
+ ATOM 235 CA ALA A 30 -17.689 -0.677 -1.148 1.00 81.79 C
236
+ ATOM 236 CB ALA A 30 -18.986 -0.856 -1.932 1.00 77.62 C
237
+ ATOM 237 N ALA A 30 -17.463 -1.821 -0.268 1.00 80.30 N
238
+ ATOM 238 O ALA A 30 -18.270 0.672 0.751 1.00 80.25 O
239
+ ATOM 239 C ASN A 31 -16.278 3.221 0.863 1.00 83.85 C
240
+ ATOM 240 CA ASN A 31 -17.157 3.004 -0.366 1.00 83.14 C
241
+ ATOM 241 CB ASN A 31 -18.601 3.412 -0.065 1.00 79.23 C
242
+ ATOM 242 CG ASN A 31 -19.465 3.457 -1.309 1.00 71.86 C
243
+ ATOM 243 N ASN A 31 -17.102 1.620 -0.827 1.00 82.39 N
244
+ ATOM 244 ND2 ASN A 31 -20.690 2.956 -1.198 1.00 65.25 N
245
+ ATOM 245 O ASN A 31 -16.184 4.338 1.373 1.00 82.01 O
246
+ ATOM 246 OD1 ASN A 31 -19.037 3.937 -2.362 1.00 67.44 O
247
+ ATOM 247 C LYS A 32 -13.447 3.070 1.771 1.00 89.47 C
248
+ ATOM 248 CA LYS A 32 -14.670 2.347 2.325 1.00 88.81 C
249
+ ATOM 249 CB LYS A 32 -14.255 1.007 2.935 1.00 87.38 C
250
+ ATOM 250 CD LYS A 32 -15.572 1.069 5.079 1.00 80.00 C
251
+ ATOM 251 CE LYS A 32 -16.587 0.345 5.953 1.00 74.25 C
252
+ ATOM 252 CG LYS A 32 -15.344 0.339 3.762 1.00 82.54 C
253
+ ATOM 253 N LYS A 32 -15.679 2.148 1.288 1.00 88.45 N
254
+ ATOM 254 NZ LYS A 32 -16.786 1.036 7.261 1.00 69.15 N
255
+ ATOM 255 O LYS A 32 -13.153 2.978 0.577 1.00 88.90 O
256
+ ATOM 256 C LEU A 33 -10.536 3.375 2.200 1.00 91.19 C
257
+ ATOM 257 CA LEU A 33 -11.597 4.468 2.288 1.00 91.17 C
258
+ ATOM 258 CB LEU A 33 -11.185 5.512 3.329 1.00 90.42 C
259
+ ATOM 259 CD1 LEU A 33 -11.590 7.655 4.566 1.00 85.20 C
260
+ ATOM 260 CD2 LEU A 33 -12.319 7.433 2.175 1.00 85.37 C
261
+ ATOM 261 CG LEU A 33 -12.127 6.705 3.501 1.00 88.26 C
262
+ ATOM 262 N LEU A 33 -12.899 3.902 2.620 1.00 90.84 N
263
+ ATOM 263 O LEU A 33 -10.652 2.338 2.858 1.00 90.54 O
264
+ ATOM 264 C GLU A 34 -7.173 3.262 0.858 1.00 91.54 C
265
+ ATOM 265 CA GLU A 34 -8.490 2.594 1.245 1.00 91.00 C
266
+ ATOM 266 CB GLU A 34 -8.870 1.538 0.204 1.00 89.56 C
267
+ ATOM 267 CD GLU A 34 -9.426 1.036 -2.224 1.00 80.94 C
268
+ ATOM 268 CG GLU A 34 -9.006 2.088 -1.208 1.00 83.92 C
269
+ ATOM 269 N GLU A 34 -9.558 3.579 1.390 1.00 90.80 N
270
+ ATOM 270 O GLU A 34 -7.170 4.341 0.262 1.00 91.07 O
271
+ ATOM 271 OE1 GLU A 34 -9.384 -0.173 -1.899 1.00 78.07 O
272
+ ATOM 272 OE2 GLU A 34 -9.798 1.424 -3.353 1.00 75.57 O
273
+ ATOM 273 C PHE A 35 -4.679 2.288 -0.735 1.00 92.99 C
274
+ ATOM 274 CA PHE A 35 -4.802 2.904 0.654 1.00 93.19 C
275
+ ATOM 275 CB PHE A 35 -3.697 2.366 1.567 1.00 92.77 C
276
+ ATOM 276 CD1 PHE A 35 -3.355 4.203 3.250 1.00 90.91 C
277
+ ATOM 277 CD2 PHE A 35 -4.209 2.104 4.014 1.00 90.79 C
278
+ ATOM 278 CE1 PHE A 35 -3.407 4.703 4.549 1.00 90.11 C
279
+ ATOM 279 CE2 PHE A 35 -4.264 2.597 5.315 1.00 90.40 C
280
+ ATOM 280 CG PHE A 35 -3.755 2.902 2.972 1.00 92.24 C
281
+ ATOM 281 CZ PHE A 35 -3.861 3.896 5.581 1.00 90.22 C
282
+ ATOM 282 N PHE A 35 -6.116 2.634 1.226 1.00 92.96 N
283
+ ATOM 283 O PHE A 35 -5.163 1.181 -0.974 1.00 92.40 O
284
+ ATOM 284 C PRO A 36 -3.145 1.156 -3.017 1.00 93.08 C
285
+ ATOM 285 CA PRO A 36 -3.969 2.441 -2.993 1.00 92.95 C
286
+ ATOM 286 CB PRO A 36 -3.282 3.546 -3.799 1.00 92.31 C
287
+ ATOM 287 CD PRO A 36 -3.607 4.394 -1.543 1.00 88.84 C
288
+ ATOM 288 CG PRO A 36 -3.472 4.786 -2.987 1.00 90.53 C
289
+ ATOM 289 N PRO A 36 -4.077 3.019 -1.651 1.00 92.75 N
290
+ ATOM 290 O PRO A 36 -2.147 1.044 -2.300 1.00 92.65 O
291
+ ATOM 291 C GLY A 37 -3.793 -2.048 -4.632 1.00 90.87 C
292
+ ATOM 292 CA GLY A 37 -2.922 -1.027 -3.926 1.00 91.48 C
293
+ ATOM 293 N GLY A 37 -3.569 0.265 -3.770 1.00 91.67 N
294
+ ATOM 294 O GLY A 37 -4.891 -1.725 -5.091 1.00 89.44 O
295
+ ATOM 295 C GLY A 38 -3.277 -5.708 -5.326 1.00 91.45 C
296
+ ATOM 296 CA GLY A 38 -3.960 -4.361 -5.466 1.00 91.20 C
297
+ ATOM 297 N GLY A 38 -3.256 -3.288 -4.781 1.00 91.32 N
298
+ ATOM 298 O GLY A 38 -2.293 -5.838 -4.594 1.00 90.72 O
299
+ ATOM 299 C LYS A 39 -2.010 -8.256 -6.402 1.00 92.09 C
300
+ ATOM 300 CA LYS A 39 -3.422 -8.066 -5.855 1.00 91.39 C
301
+ ATOM 301 CB LYS A 39 -4.398 -8.980 -6.597 1.00 89.71 C
302
+ ATOM 302 CD LYS A 39 -6.680 -10.040 -6.699 1.00 77.12 C
303
+ ATOM 303 CE LYS A 39 -8.098 -10.021 -6.146 1.00 68.27 C
304
+ ATOM 304 CG LYS A 39 -5.778 -9.060 -5.959 1.00 81.30 C
305
+ ATOM 305 N LYS A 39 -3.844 -6.673 -5.962 1.00 91.24 N
306
+ ATOM 306 NZ LYS A 39 -9.015 -10.890 -6.944 1.00 58.26 N
307
+ ATOM 307 O LYS A 39 -1.641 -7.651 -7.411 1.00 91.63 O
308
+ ATOM 308 C ILE A 40 -0.188 -10.592 -7.239 1.00 92.87 C
309
+ ATOM 309 CA ILE A 40 0.022 -9.497 -6.195 1.00 93.48 C
310
+ ATOM 310 CB ILE A 40 0.926 -10.012 -5.053 1.00 93.05 C
311
+ ATOM 311 CD1 ILE A 40 1.886 -9.368 -2.766 1.00 90.49 C
312
+ ATOM 312 CG1 ILE A 40 1.177 -8.899 -4.028 1.00 92.26 C
313
+ ATOM 313 CG2 ILE A 40 2.245 -10.552 -5.610 1.00 92.03 C
314
+ ATOM 314 N ILE A 40 -1.270 -9.044 -5.691 1.00 93.50 N
315
+ ATOM 315 O ILE A 40 -0.839 -11.603 -6.965 1.00 91.78 O
316
+ ATOM 316 C GLU A 41 1.166 -12.505 -9.362 1.00 91.15 C
317
+ ATOM 317 CA GLU A 41 0.143 -11.377 -9.461 1.00 91.42 C
318
+ ATOM 318 CB GLU A 41 0.270 -10.669 -10.812 1.00 89.95 C
319
+ ATOM 319 CD GLU A 41 -0.685 -8.948 -12.419 1.00 80.95 C
320
+ ATOM 320 CG GLU A 41 -0.813 -9.629 -11.065 1.00 83.67 C
321
+ ATOM 321 N GLU A 41 0.299 -10.425 -8.366 1.00 91.64 N
322
+ ATOM 322 O GLU A 41 2.191 -12.364 -8.692 1.00 89.99 O
323
+ ATOM 323 OE1 GLU A 41 0.355 -9.127 -13.092 1.00 77.68 O
324
+ ATOM 324 OE2 GLU A 41 -1.632 -8.230 -12.808 1.00 76.82 O
325
+ ATOM 325 C MET A 42 3.121 -14.287 -10.622 1.00 90.01 C
326
+ ATOM 326 CA MET A 42 1.763 -14.702 -10.068 1.00 89.45 C
327
+ ATOM 327 CB MET A 42 1.186 -15.848 -10.901 1.00 86.48 C
328
+ ATOM 328 CE MET A 42 0.856 -17.961 -13.191 1.00 61.66 C
329
+ ATOM 329 CG MET A 42 1.930 -17.162 -10.733 1.00 75.75 C
330
+ ATOM 330 N MET A 42 0.841 -13.569 -10.045 1.00 89.37 N
331
+ ATOM 331 O MET A 42 3.198 -13.620 -11.656 1.00 88.77 O
332
+ ATOM 332 SD MET A 42 1.041 -18.576 -11.494 1.00 69.84 S
333
+ ATOM 333 C GLY A 43 6.038 -12.978 -9.908 1.00 90.97 C
334
+ ATOM 334 CA GLY A 43 5.523 -14.341 -10.330 1.00 90.81 C
335
+ ATOM 335 N GLY A 43 4.180 -14.620 -9.843 1.00 90.59 N
336
+ ATOM 336 O GLY A 43 7.184 -12.626 -10.194 1.00 89.66 O
337
+ ATOM 337 C GLU A 44 5.964 -10.933 -7.362 1.00 92.42 C
338
+ ATOM 338 CA GLU A 44 5.609 -10.900 -8.846 1.00 92.64 C
339
+ ATOM 339 CB GLU A 44 4.521 -9.855 -9.104 1.00 91.17 C
340
+ ATOM 340 CD GLU A 44 3.362 -8.354 -10.794 1.00 83.44 C
341
+ ATOM 341 CG GLU A 44 4.402 -9.438 -10.563 1.00 85.98 C
342
+ ATOM 342 N GLU A 44 5.179 -12.215 -9.315 1.00 92.97 N
343
+ ATOM 343 O GLU A 44 5.366 -11.689 -6.592 1.00 91.22 O
344
+ ATOM 344 OE1 GLU A 44 2.322 -8.351 -10.095 1.00 80.98 O
345
+ ATOM 345 OE2 GLU A 44 3.588 -7.501 -11.681 1.00 81.23 O
346
+ ATOM 346 C THR A 45 6.274 -8.897 -5.088 1.00 94.85 C
347
+ ATOM 347 CA THR A 45 7.227 -9.969 -5.611 1.00 94.64 C
348
+ ATOM 348 CB THR A 45 8.683 -9.534 -5.356 1.00 93.77 C
349
+ ATOM 349 CG2 THR A 45 9.667 -10.522 -5.972 1.00 89.12 C
350
+ ATOM 350 N THR A 45 6.991 -10.222 -7.029 1.00 94.42 N
351
+ ATOM 351 O THR A 45 5.731 -8.109 -5.864 1.00 94.50 O
352
+ ATOM 352 OG1 THR A 45 8.897 -8.240 -5.933 1.00 89.31 O
353
+ ATOM 353 C PRO A 46 5.776 -6.360 -3.615 1.00 94.63 C
354
+ ATOM 354 CA PRO A 46 5.267 -7.758 -3.272 1.00 94.45 C
355
+ ATOM 355 CB PRO A 46 5.346 -8.014 -1.765 1.00 93.70 C
356
+ ATOM 356 CD PRO A 46 6.489 -9.919 -2.753 1.00 90.74 C
357
+ ATOM 357 CG PRO A 46 5.582 -9.483 -1.638 1.00 91.93 C
358
+ ATOM 358 N PRO A 46 6.103 -8.820 -3.837 1.00 93.91 N
359
+ ATOM 359 O PRO A 46 4.979 -5.447 -3.840 1.00 94.39 O
360
+ ATOM 360 C GLU A 47 7.301 -4.521 -5.478 1.00 95.31 C
361
+ ATOM 361 CA GLU A 47 7.647 -4.902 -4.042 1.00 95.21 C
362
+ ATOM 362 CB GLU A 47 9.166 -4.938 -3.858 1.00 93.74 C
363
+ ATOM 363 CD GLU A 47 9.690 -6.462 -1.894 1.00 76.65 C
364
+ ATOM 364 CG GLU A 47 9.608 -5.032 -2.405 1.00 82.24 C
365
+ ATOM 365 N GLU A 47 7.056 -6.187 -3.679 1.00 95.24 N
366
+ ATOM 366 O GLU A 47 6.957 -3.370 -5.756 1.00 94.87 O
367
+ ATOM 367 OE1 GLU A 47 9.335 -7.396 -2.648 1.00 72.79 O
368
+ ATOM 368 OE2 GLU A 47 10.112 -6.648 -0.732 1.00 70.36 O
369
+ ATOM 369 C GLN A 48 5.638 -4.895 -7.849 1.00 95.63 C
370
+ ATOM 370 CA GLN A 48 7.121 -5.223 -7.705 1.00 95.61 C
371
+ ATOM 371 CB GLN A 48 7.482 -6.421 -8.584 1.00 95.08 C
372
+ ATOM 372 CD GLN A 48 9.325 -7.939 -9.430 1.00 90.72 C
373
+ ATOM 373 CG GLN A 48 8.980 -6.610 -8.782 1.00 92.86 C
374
+ ATOM 374 N GLN A 48 7.469 -5.486 -6.312 1.00 95.58 N
375
+ ATOM 375 NE2 GLN A 48 10.435 -7.973 -10.158 1.00 89.44 N
376
+ ATOM 376 O GLN A 48 5.264 -4.023 -8.636 1.00 95.32 O
377
+ ATOM 377 OE1 GLN A 48 8.598 -8.926 -9.276 1.00 89.26 O
378
+ ATOM 378 C ALA A 49 2.989 -4.056 -6.739 1.00 95.49 C
379
+ ATOM 379 CA ALA A 49 3.396 -5.455 -7.194 1.00 95.46 C
380
+ ATOM 380 CB ALA A 49 2.691 -6.511 -6.348 1.00 94.97 C
381
+ ATOM 381 N ALA A 49 4.844 -5.630 -7.125 1.00 95.37 N
382
+ ATOM 382 O ALA A 49 2.129 -3.421 -7.354 1.00 95.17 O
383
+ ATOM 383 C VAL A 50 3.532 -1.118 -6.156 1.00 95.28 C
384
+ ATOM 384 CA VAL A 50 3.128 -2.204 -5.161 1.00 95.41 C
385
+ ATOM 385 CB VAL A 50 3.731 -1.902 -3.771 1.00 94.97 C
386
+ ATOM 386 CG1 VAL A 50 5.240 -1.683 -3.871 1.00 93.07 C
387
+ ATOM 387 CG2 VAL A 50 3.052 -0.683 -3.148 1.00 92.86 C
388
+ ATOM 388 N VAL A 50 3.551 -3.510 -5.656 1.00 95.31 N
389
+ ATOM 389 O VAL A 50 2.778 -0.171 -6.391 1.00 94.81 O
390
+ ATOM 390 C VAL A 51 4.122 -0.288 -8.924 1.00 95.04 C
391
+ ATOM 391 CA VAL A 51 5.110 -0.285 -7.761 1.00 95.27 C
392
+ ATOM 392 CB VAL A 51 6.538 -0.573 -8.273 1.00 94.73 C
393
+ ATOM 393 CG1 VAL A 51 6.869 0.310 -9.476 1.00 92.78 C
394
+ ATOM 394 CG2 VAL A 51 7.559 -0.363 -7.156 1.00 92.46 C
395
+ ATOM 395 N VAL A 51 4.694 -1.259 -6.757 1.00 95.32 N
396
+ ATOM 396 O VAL A 51 3.641 0.768 -9.342 1.00 94.45 O
397
+ ATOM 397 C ARG A 52 1.456 -1.031 -10.178 1.00 93.37 C
398
+ ATOM 398 CA ARG A 52 2.826 -1.591 -10.544 1.00 93.76 C
399
+ ATOM 399 CB ARG A 52 2.696 -3.050 -10.984 1.00 93.42 C
400
+ ATOM 400 CD ARG A 52 1.560 -4.740 -12.466 1.00 92.23 C
401
+ ATOM 401 CG ARG A 52 1.701 -3.267 -12.113 1.00 93.02 C
402
+ ATOM 402 CZ ARG A 52 0.010 -5.523 -10.705 1.00 90.44 C
403
+ ATOM 403 N ARG A 52 3.757 -1.473 -9.425 1.00 93.81 N
404
+ ATOM 404 NE ARG A 52 1.200 -5.542 -11.300 1.00 91.82 N
405
+ ATOM 405 NH1 ARG A 52 -0.962 -4.739 -11.158 1.00 87.85 N
406
+ ATOM 406 NH2 ARG A 52 -0.211 -6.294 -9.649 1.00 87.50 N
407
+ ATOM 407 O ARG A 52 0.868 -0.266 -10.945 1.00 92.58 O
408
+ ATOM 408 C GLU A 53 -0.406 0.547 -8.347 1.00 92.23 C
409
+ ATOM 409 CA GLU A 53 -0.343 -0.970 -8.505 1.00 92.36 C
410
+ ATOM 410 CB GLU A 53 -0.734 -1.652 -7.192 1.00 91.62 C
411
+ ATOM 411 CD GLU A 53 -2.329 -3.433 -8.050 1.00 85.88 C
412
+ ATOM 412 CG GLU A 53 -1.020 -3.140 -7.333 1.00 89.00 C
413
+ ATOM 413 N GLU A 53 0.984 -1.402 -8.933 1.00 92.35 N
414
+ ATOM 414 O GLU A 53 -1.413 1.171 -8.688 1.00 91.44 O
415
+ ATOM 415 OE1 GLU A 53 -3.108 -2.486 -8.303 1.00 84.51 O
416
+ ATOM 416 OE2 GLU A 53 -2.577 -4.619 -8.360 1.00 83.04 O
417
+ ATOM 417 C LEU A 54 0.689 3.331 -8.965 1.00 93.02 C
418
+ ATOM 418 CA LEU A 54 0.597 2.603 -7.628 1.00 93.53 C
419
+ ATOM 419 CB LEU A 54 1.742 3.047 -6.712 1.00 93.26 C
420
+ ATOM 420 CD1 LEU A 54 2.824 3.164 -4.455 1.00 91.76 C
421
+ ATOM 421 CD2 LEU A 54 0.327 3.002 -4.639 1.00 91.46 C
422
+ ATOM 422 CG LEU A 54 1.660 2.591 -5.255 1.00 92.89 C
423
+ ATOM 423 N LEU A 54 0.629 1.157 -7.819 1.00 93.50 N
424
+ ATOM 424 O LEU A 54 0.056 4.372 -9.154 1.00 92.10 O
425
+ ATOM 425 C GLN A 55 0.060 3.298 -11.927 1.00 91.64 C
426
+ ATOM 426 CA GLN A 55 1.438 3.382 -11.277 1.00 92.14 C
427
+ ATOM 427 CB GLN A 55 2.475 2.675 -12.150 1.00 91.34 C
428
+ ATOM 428 CD GLN A 55 4.924 2.171 -12.546 1.00 86.22 C
429
+ ATOM 429 CG GLN A 55 3.915 3.018 -11.794 1.00 88.55 C
430
+ ATOM 430 N GLN A 55 1.421 2.810 -9.934 1.00 92.42 N
431
+ ATOM 431 NE2 GLN A 55 6.174 2.620 -12.572 1.00 82.77 N
432
+ ATOM 432 O GLN A 55 -0.400 4.261 -12.546 1.00 90.53 O
433
+ ATOM 433 OE1 GLN A 55 4.583 1.121 -13.099 1.00 83.71 O
434
+ ATOM 434 C GLU A 56 -3.025 2.749 -11.718 1.00 89.06 C
435
+ ATOM 435 CA GLU A 56 -1.903 1.975 -12.404 1.00 89.54 C
436
+ ATOM 436 CB GLU A 56 -2.224 0.478 -12.408 1.00 88.53 C
437
+ ATOM 437 CD GLU A 56 -1.579 -1.838 -13.228 1.00 82.59 C
438
+ ATOM 438 CG GLU A 56 -1.318 -0.344 -13.313 1.00 85.26 C
439
+ ATOM 439 N GLU A 56 -0.619 2.222 -11.757 1.00 89.98 N
440
+ ATOM 440 O GLU A 56 -3.888 3.324 -12.386 1.00 87.75 O
441
+ ATOM 441 OE1 GLU A 56 -2.423 -2.261 -12.406 1.00 79.48 O
442
+ ATOM 442 OE2 GLU A 56 -0.935 -2.594 -13.989 1.00 77.07 O
443
+ ATOM 443 C GLU A 57 -4.011 4.776 -9.371 1.00 88.39 C
444
+ ATOM 444 CA GLU A 57 -4.109 3.277 -9.635 1.00 88.38 C
445
+ ATOM 445 CB GLU A 57 -4.280 2.521 -8.315 1.00 87.05 C
446
+ ATOM 446 CD GLU A 57 -5.308 0.482 -7.202 1.00 78.72 C
447
+ ATOM 447 CG GLU A 57 -4.760 1.087 -8.485 1.00 82.09 C
448
+ ATOM 448 N GLU A 57 -2.938 2.789 -10.357 1.00 88.62 N
449
+ ATOM 449 O GLU A 57 -5.019 5.484 -9.395 1.00 87.23 O
450
+ ATOM 450 OE1 GLU A 57 -5.143 1.094 -6.123 1.00 75.96 O
451
+ ATOM 451 OE2 GLU A 57 -5.907 -0.615 -7.277 1.00 72.31 O
452
+ ATOM 452 C VAL A 58 -1.658 7.410 -9.532 1.00 90.68 C
453
+ ATOM 453 CA VAL A 58 -2.720 6.676 -8.715 1.00 91.00 C
454
+ ATOM 454 CB VAL A 58 -2.430 6.831 -7.205 1.00 89.93 C
455
+ ATOM 455 CG1 VAL A 58 -3.550 6.208 -6.373 1.00 84.14 C
456
+ ATOM 456 CG2 VAL A 58 -1.085 6.199 -6.853 1.00 83.45 C
457
+ ATOM 457 N VAL A 58 -2.765 5.273 -9.112 1.00 91.19 N
458
+ ATOM 458 O VAL A 58 -1.444 8.611 -9.349 1.00 89.07 O
459
+ ATOM 459 C GLY A 59 1.125 7.865 -10.867 1.00 91.34 C
460
+ ATOM 460 CA GLY A 59 -0.223 7.393 -11.376 1.00 90.94 C
461
+ ATOM 461 N GLY A 59 -1.023 6.736 -10.355 1.00 90.88 N
462
+ ATOM 462 O GLY A 59 1.710 8.802 -11.417 1.00 90.50 O
463
+ ATOM 463 C ILE A 60 3.914 6.448 -9.459 1.00 93.33 C
464
+ ATOM 464 CA ILE A 60 2.956 7.632 -9.358 1.00 93.23 C
465
+ ATOM 465 CB ILE A 60 2.875 8.133 -7.898 1.00 92.79 C
466
+ ATOM 466 CD1 ILE A 60 2.680 7.255 -5.499 1.00 89.63 C
467
+ ATOM 467 CG1 ILE A 60 2.394 7.008 -6.973 1.00 91.69 C
468
+ ATOM 468 CG2 ILE A 60 1.956 9.355 -7.796 1.00 91.49 C
469
+ ATOM 469 N ILE A 60 1.642 7.248 -9.864 1.00 92.99 N
470
+ ATOM 470 O ILE A 60 3.481 5.299 -9.575 1.00 92.87 O
471
+ ATOM 471 C THR A 61 7.045 5.942 -8.008 1.00 93.98 C
472
+ ATOM 472 CA THR A 61 6.281 5.753 -9.316 1.00 93.79 C
473
+ ATOM 473 CB THR A 61 7.255 5.862 -10.503 1.00 92.85 C
474
+ ATOM 474 CG2 THR A 61 8.328 4.781 -10.436 1.00 87.34 C
475
+ ATOM 475 N THR A 61 5.199 6.724 -9.427 1.00 93.68 N
476
+ ATOM 476 O THR A 61 7.698 6.969 -7.807 1.00 93.54 O
477
+ ATOM 477 OG1 THR A 61 6.525 5.719 -11.727 1.00 87.66 O
478
+ ATOM 478 C PRO A 62 9.176 5.069 -6.080 1.00 93.84 C
479
+ ATOM 479 CA PRO A 62 7.661 5.102 -5.892 1.00 94.33 C
480
+ ATOM 480 CB PRO A 62 7.186 3.893 -5.082 1.00 93.69 C
481
+ ATOM 481 CD PRO A 62 6.058 3.856 -7.236 1.00 90.85 C
482
+ ATOM 482 CG PRO A 62 5.976 3.399 -5.809 1.00 91.97 C
483
+ ATOM 483 N PRO A 62 6.931 4.971 -7.155 1.00 94.25 N
484
+ ATOM 484 O PRO A 62 9.686 4.280 -6.880 1.00 92.91 O
485
+ ATOM 485 C GLN A 63 11.963 5.576 -4.149 1.00 93.07 C
486
+ ATOM 486 CA GLN A 63 11.326 6.026 -5.460 1.00 93.95 C
487
+ ATOM 487 CB GLN A 63 11.770 7.449 -5.799 1.00 92.71 C
488
+ ATOM 488 CD GLN A 63 12.055 7.199 -8.302 1.00 81.80 C
489
+ ATOM 489 CG GLN A 63 11.331 7.918 -7.180 1.00 86.51 C
490
+ ATOM 490 N GLN A 63 9.870 5.946 -5.391 1.00 94.47 N
491
+ ATOM 491 NE2 GLN A 63 11.318 6.836 -9.347 1.00 76.39 N
492
+ ATOM 492 O GLN A 63 13.012 4.928 -4.152 1.00 91.13 O
493
+ ATOM 493 OE1 GLN A 63 13.267 6.970 -8.230 1.00 79.12 O
494
+ ATOM 494 C HIS A 64 10.694 5.030 -1.011 1.00 92.93 C
495
+ ATOM 495 CA HIS A 64 11.876 5.562 -1.814 1.00 92.73 C
496
+ ATOM 496 CB HIS A 64 12.542 6.717 -1.064 1.00 90.53 C
497
+ ATOM 497 CD2 HIS A 64 13.672 5.144 0.660 1.00 72.47 C
498
+ ATOM 498 CE1 HIS A 64 13.797 6.553 2.335 1.00 69.30 C
499
+ ATOM 499 CG HIS A 64 13.139 6.318 0.247 1.00 80.37 C
500
+ ATOM 500 N HIS A 64 11.461 5.989 -3.145 1.00 92.62 N
501
+ ATOM 501 ND1 HIS A 64 13.231 7.181 1.318 1.00 69.12 N
502
+ ATOM 502 NE2 HIS A 64 14.074 5.316 1.962 1.00 67.54 N
503
+ ATOM 503 O HIS A 64 9.805 5.792 -0.627 1.00 92.02 O
504
+ ATOM 504 C PHE A 65 10.142 1.929 0.753 1.00 93.48 C
505
+ ATOM 505 CA PHE A 65 9.635 3.147 -0.011 1.00 94.61 C
506
+ ATOM 506 CB PHE A 65 8.487 2.743 -0.941 1.00 93.91 C
507
+ ATOM 507 CD1 PHE A 65 9.613 2.153 -3.113 1.00 91.40 C
508
+ ATOM 508 CD2 PHE A 65 8.532 0.411 -1.882 1.00 91.37 C
509
+ ATOM 509 CE1 PHE A 65 9.983 1.237 -4.094 1.00 90.88 C
510
+ ATOM 510 CE2 PHE A 65 8.898 -0.511 -2.858 1.00 90.02 C
511
+ ATOM 511 CG PHE A 65 8.886 1.749 -2.000 1.00 93.49 C
512
+ ATOM 512 CZ PHE A 65 9.622 -0.095 -3.964 1.00 90.01 C
513
+ ATOM 513 N PHE A 65 10.714 3.770 -0.767 1.00 94.42 N
514
+ ATOM 514 O PHE A 65 11.143 1.322 0.369 1.00 90.96 O
515
+ ATOM 515 C SER A 66 8.808 -0.222 3.297 1.00 94.47 C
516
+ ATOM 516 CA SER A 66 10.005 0.558 2.765 1.00 94.40 C
517
+ ATOM 517 CB SER A 66 10.821 1.115 3.932 1.00 93.16 C
518
+ ATOM 518 N SER A 66 9.583 1.635 1.875 1.00 94.40 N
519
+ ATOM 519 O SER A 66 7.700 0.311 3.378 1.00 93.95 O
520
+ ATOM 520 OG SER A 66 10.056 2.042 4.682 1.00 78.39 O
521
+ ATOM 521 C LEU A 67 7.606 -1.714 5.539 1.00 94.40 C
522
+ ATOM 522 CA LEU A 67 7.996 -2.280 4.178 1.00 94.78 C
523
+ ATOM 523 CB LEU A 67 8.447 -3.736 4.329 1.00 94.02 C
524
+ ATOM 524 CD1 LEU A 67 6.235 -4.844 3.919 1.00 86.19 C
525
+ ATOM 525 CD2 LEU A 67 8.043 -6.073 5.151 1.00 86.12 C
526
+ ATOM 526 CG LEU A 67 7.409 -4.712 4.884 1.00 91.27 C
527
+ ATOM 527 N LEU A 67 9.052 -1.480 3.566 1.00 94.66 N
528
+ ATOM 528 O LEU A 67 8.454 -1.567 6.422 1.00 93.56 O
529
+ ATOM 529 C PHE A 68 5.254 -1.943 7.793 1.00 93.93 C
530
+ ATOM 530 CA PHE A 68 5.878 -0.856 6.928 1.00 94.35 C
531
+ ATOM 531 CB PHE A 68 4.843 0.229 6.619 1.00 93.91 C
532
+ ATOM 532 CD1 PHE A 68 4.987 1.699 8.656 1.00 89.54 C
533
+ ATOM 533 CD2 PHE A 68 2.915 0.604 8.187 1.00 89.24 C
534
+ ATOM 534 CE1 PHE A 68 4.428 2.281 9.791 1.00 89.19 C
535
+ ATOM 535 CE2 PHE A 68 2.349 1.181 9.320 1.00 89.53 C
536
+ ATOM 536 CG PHE A 68 4.236 0.857 7.844 1.00 92.48 C
537
+ ATOM 537 CZ PHE A 68 3.107 2.019 10.121 1.00 88.47 C
538
+ ATOM 538 N PHE A 68 6.414 -1.420 5.694 1.00 94.32 N
539
+ ATOM 539 O PHE A 68 5.467 -1.976 9.007 1.00 93.02 O
540
+ ATOM 540 C GLU A 69 3.362 -4.964 6.936 1.00 93.65 C
541
+ ATOM 541 CA GLU A 69 3.807 -3.840 7.866 1.00 93.63 C
542
+ ATOM 542 CB GLU A 69 2.605 -3.276 8.626 1.00 92.22 C
543
+ ATOM 543 CD GLU A 69 2.910 -4.681 10.719 1.00 77.39 C
544
+ ATOM 544 CG GLU A 69 1.974 -4.263 9.598 1.00 82.61 C
545
+ ATOM 545 N GLU A 69 4.489 -2.782 7.126 1.00 93.74 N
546
+ ATOM 546 O GLU A 69 2.989 -4.716 5.788 1.00 92.91 O
547
+ ATOM 547 OE1 GLU A 69 2.898 -4.037 11.793 1.00 74.40 O
548
+ ATOM 548 OE2 GLU A 69 3.663 -5.662 10.523 1.00 72.94 O
549
+ ATOM 549 C LYS A 70 1.763 -7.896 7.778 1.00 93.00 C
550
+ ATOM 550 CA LYS A 70 2.811 -7.317 6.832 1.00 93.74 C
551
+ ATOM 551 CB LYS A 70 3.846 -8.387 6.480 1.00 92.53 C
552
+ ATOM 552 CD LYS A 70 4.280 -10.733 5.677 1.00 86.04 C
553
+ ATOM 553 CE LYS A 70 3.664 -11.989 5.077 1.00 81.40 C
554
+ ATOM 554 CG LYS A 70 3.264 -9.601 5.772 1.00 87.91 C
555
+ ATOM 555 N LYS A 70 3.461 -6.148 7.418 1.00 93.82 N
556
+ ATOM 556 NZ LYS A 70 4.581 -13.164 5.188 1.00 74.57 N
557
+ ATOM 557 O LYS A 70 2.072 -8.232 8.923 1.00 91.57 O
558
+ ATOM 558 C LEU A 71 -1.314 -9.478 7.447 1.00 91.82 C
559
+ ATOM 559 CA LEU A 71 -0.470 -8.411 8.137 1.00 91.93 C
560
+ ATOM 560 CB LEU A 71 -1.353 -7.229 8.544 1.00 89.49 C
561
+ ATOM 561 CD1 LEU A 71 -1.328 -4.785 9.104 1.00 66.14 C
562
+ ATOM 562 CD2 LEU A 71 -0.761 -6.479 10.865 1.00 66.16 C
563
+ ATOM 563 CG LEU A 71 -0.683 -6.138 9.381 1.00 76.37 C
564
+ ATOM 564 N LEU A 71 0.613 -7.965 7.269 1.00 92.33 N
565
+ ATOM 565 O LEU A 71 -1.431 -9.487 6.220 1.00 90.46 O
566
+ ATOM 566 C GLU A 72 -4.159 -11.096 8.399 1.00 91.36 C
567
+ ATOM 567 CA GLU A 72 -2.797 -11.334 7.752 1.00 91.82 C
568
+ ATOM 568 CB GLU A 72 -2.313 -12.754 8.053 1.00 90.16 C
569
+ ATOM 569 CD GLU A 72 -0.633 -14.587 7.530 1.00 79.94 C
570
+ ATOM 570 CG GLU A 72 -1.032 -13.134 7.324 1.00 82.86 C
571
+ ATOM 571 N GLU A 72 -1.817 -10.351 8.209 1.00 91.94 N
572
+ ATOM 572 O GLU A 72 -4.241 -10.782 9.588 1.00 90.01 O
573
+ ATOM 573 OE1 GLU A 72 -1.323 -15.304 8.290 1.00 75.83 O
574
+ ATOM 574 OE2 GLU A 72 0.379 -15.011 6.927 1.00 74.41 O
575
+ ATOM 575 C TYR A 73 -7.381 -12.069 7.450 1.00 89.72 C
576
+ ATOM 576 CA TYR A 73 -6.423 -11.046 8.050 1.00 90.30 C
577
+ ATOM 577 CB TYR A 73 -6.892 -9.629 7.708 1.00 89.63 C
578
+ ATOM 578 CD1 TYR A 73 -8.118 -8.596 9.662 1.00 84.84 C
579
+ ATOM 579 CD2 TYR A 73 -9.405 -9.462 7.846 1.00 84.70 C
580
+ ATOM 580 CE1 TYR A 73 -9.284 -8.221 10.320 1.00 84.90 C
581
+ ATOM 581 CE2 TYR A 73 -10.578 -9.091 8.494 1.00 85.19 C
582
+ ATOM 582 CG TYR A 73 -8.161 -9.221 8.418 1.00 87.98 C
583
+ ATOM 583 CZ TYR A 73 -10.508 -8.472 9.728 1.00 83.13 C
584
+ ATOM 584 N TYR A 73 -5.062 -11.265 7.574 1.00 90.42 N
585
+ ATOM 585 O TYR A 73 -7.274 -12.412 6.270 1.00 88.28 O
586
+ ATOM 586 OH TYR A 73 -11.666 -8.103 10.375 1.00 80.93 O
587
+ ATOM 587 C GLU A 74 -10.610 -12.887 7.825 1.00 88.82 C
588
+ ATOM 588 CA GLU A 74 -9.213 -13.492 7.910 1.00 89.01 C
589
+ ATOM 589 CB GLU A 74 -9.215 -14.692 8.861 1.00 86.87 C
590
+ ATOM 590 CD GLU A 74 -9.760 -17.157 9.139 1.00 75.18 C
591
+ ATOM 591 CG GLU A 74 -10.008 -15.884 8.345 1.00 78.65 C
592
+ ATOM 592 N GLU A 74 -8.232 -12.499 8.339 1.00 89.44 N
593
+ ATOM 593 O GLU A 74 -11.159 -12.434 8.833 1.00 87.12 O
594
+ ATOM 594 OE1 GLU A 74 -8.586 -17.462 9.449 1.00 69.86 O
595
+ ATOM 595 OE2 GLU A 74 -10.750 -17.857 9.452 1.00 68.34 O
596
+ ATOM 596 C PHE A 75 -13.350 -13.854 6.330 1.00 85.18 C
597
+ ATOM 597 CA PHE A 75 -12.574 -12.547 6.430 1.00 85.44 C
598
+ ATOM 598 CB PHE A 75 -12.783 -11.713 5.161 1.00 84.63 C
599
+ ATOM 599 CD1 PHE A 75 -13.035 -9.310 5.865 1.00 80.80 C
600
+ ATOM 600 CD2 PHE A 75 -11.013 -9.971 4.772 1.00 80.91 C
601
+ ATOM 601 CE1 PHE A 75 -12.560 -8.005 5.964 1.00 80.54 C
602
+ ATOM 602 CE2 PHE A 75 -10.532 -8.669 4.868 1.00 80.50 C
603
+ ATOM 603 CG PHE A 75 -12.267 -10.304 5.268 1.00 83.31 C
604
+ ATOM 604 CZ PHE A 75 -11.307 -7.687 5.465 1.00 77.69 C
605
+ ATOM 605 N PHE A 75 -11.155 -12.801 6.647 1.00 85.62 N
606
+ ATOM 606 O PHE A 75 -12.757 -14.924 6.180 1.00 83.74 O
607
+ ATOM 607 C PRO A 76 -15.165 -15.806 5.076 1.00 84.11 C
608
+ ATOM 608 CA PRO A 76 -15.424 -15.031 6.367 1.00 84.27 C
609
+ ATOM 609 CB PRO A 76 -16.879 -14.564 6.441 1.00 82.90 C
610
+ ATOM 610 CD PRO A 76 -15.552 -12.590 6.949 1.00 79.04 C
611
+ ATOM 611 CG PRO A 76 -16.837 -13.308 7.250 1.00 80.42 C
612
+ ATOM 612 N PRO A 76 -14.663 -13.782 6.439 1.00 84.50 N
613
+ ATOM 613 O PRO A 76 -15.131 -17.039 5.087 1.00 82.50 O
614
+ ATOM 614 C ASP A 77 -13.439 -15.881 2.108 1.00 83.88 C
615
+ ATOM 615 CA ASP A 77 -14.867 -15.855 2.647 1.00 83.81 C
616
+ ATOM 616 CB ASP A 77 -15.799 -15.178 1.640 1.00 81.91 C
617
+ ATOM 617 CG ASP A 77 -15.469 -13.712 1.421 1.00 77.24 C
618
+ ATOM 618 N ASP A 77 -14.929 -15.178 3.938 1.00 84.06 N
619
+ ATOM 619 O ASP A 77 -13.171 -16.492 1.071 1.00 82.44 O
620
+ ATOM 620 OD1 ASP A 77 -14.847 -13.088 2.307 1.00 74.45 O
621
+ ATOM 621 OD2 ASP A 77 -15.837 -13.176 0.354 1.00 75.05 O
622
+ ATOM 622 C ARG A 78 -10.046 -14.856 3.332 1.00 87.40 C
623
+ ATOM 623 CA ARG A 78 -11.081 -15.144 2.250 1.00 86.94 C
624
+ ATOM 624 CB ARG A 78 -11.018 -14.069 1.164 1.00 84.77 C
625
+ ATOM 625 CD ARG A 78 -11.458 -11.660 0.577 1.00 76.92 C
626
+ ATOM 626 CG ARG A 78 -11.155 -12.650 1.693 1.00 78.64 C
627
+ ATOM 627 CZ ARG A 78 -13.370 -11.060 -0.872 1.00 68.78 C
628
+ ATOM 628 N ARG A 78 -12.424 -15.222 2.819 1.00 86.94 N
629
+ ATOM 629 NE ARG A 78 -12.848 -11.750 0.139 1.00 69.95 N
630
+ ATOM 630 NH1 ARG A 78 -12.625 -10.213 -1.572 1.00 58.07 N
631
+ ATOM 631 NH2 ARG A 78 -14.648 -11.220 -1.187 1.00 55.38 N
632
+ ATOM 632 O ARG A 78 -10.347 -14.192 4.326 1.00 86.13 O
633
+ ATOM 633 C HIS A 79 -6.835 -14.125 3.033 1.00 90.17 C
634
+ ATOM 634 CA HIS A 79 -7.729 -15.053 3.849 1.00 90.11 C
635
+ ATOM 635 CB HIS A 79 -6.964 -16.323 4.225 1.00 88.43 C
636
+ ATOM 636 CD2 HIS A 79 -4.395 -16.041 4.449 1.00 75.84 C
637
+ ATOM 637 CE1 HIS A 79 -4.318 -15.588 6.593 1.00 75.85 C
638
+ ATOM 638 CG HIS A 79 -5.665 -16.059 4.918 1.00 82.16 C
639
+ ATOM 639 N HIS A 79 -8.947 -15.387 3.120 1.00 89.91 N
640
+ ATOM 640 ND1 HIS A 79 -5.584 -15.772 6.263 1.00 74.81 N
641
+ ATOM 641 NE2 HIS A 79 -3.575 -15.745 5.510 1.00 73.88 N
642
+ ATOM 642 O HIS A 79 -6.487 -14.437 1.892 1.00 89.15 O
643
+ ATOM 643 C ILE A 80 -4.407 -11.777 3.587 1.00 90.95 C
644
+ ATOM 644 CA ILE A 80 -5.709 -12.092 2.854 1.00 90.30 C
645
+ ATOM 645 CB ILE A 80 -6.494 -10.792 2.574 1.00 88.37 C
646
+ ATOM 646 CD1 ILE A 80 -7.462 -8.703 3.700 1.00 71.20 C
647
+ ATOM 647 CG1 ILE A 80 -6.814 -10.068 3.888 1.00 73.56 C
648
+ ATOM 648 CG2 ILE A 80 -7.774 -11.093 1.789 1.00 74.75 C
649
+ ATOM 649 N ILE A 80 -6.499 -13.035 3.638 1.00 90.15 N
650
+ ATOM 650 O ILE A 80 -4.375 -11.734 4.820 1.00 90.26 O
651
+ ATOM 651 C THR A 81 -1.848 -9.789 2.750 1.00 93.09 C
652
+ ATOM 652 CA THR A 81 -2.101 -11.154 3.385 1.00 92.79 C
653
+ ATOM 653 CB THR A 81 -0.936 -12.103 3.046 1.00 91.87 C
654
+ ATOM 654 CG2 THR A 81 0.372 -11.610 3.656 1.00 88.00 C
655
+ ATOM 655 N THR A 81 -3.377 -11.702 2.941 1.00 92.67 N
656
+ ATOM 656 O THR A 81 -1.838 -9.661 1.524 1.00 92.66 O
657
+ ATOM 657 OG1 THR A 81 -1.228 -13.409 3.558 1.00 88.08 O
658
+ ATOM 658 C LEU A 82 -0.060 -7.049 3.366 1.00 93.69 C
659
+ ATOM 659 CA LEU A 82 -1.501 -7.476 3.107 1.00 93.52 C
660
+ ATOM 660 CB LEU A 82 -2.464 -6.511 3.804 1.00 92.52 C
661
+ ATOM 661 CD1 LEU A 82 -4.780 -6.043 4.642 1.00 80.97 C
662
+ ATOM 662 CD2 LEU A 82 -4.371 -6.324 2.183 1.00 80.29 C
663
+ ATOM 663 CG LEU A 82 -3.955 -6.765 3.582 1.00 88.15 C
664
+ ATOM 664 N LEU A 82 -1.728 -8.843 3.562 1.00 93.28 N
665
+ ATOM 665 O LEU A 82 0.442 -7.190 4.483 1.00 93.27 O
666
+ ATOM 666 C TRP A 83 1.823 -4.501 2.310 1.00 94.49 C
667
+ ATOM 667 CA TRP A 83 1.906 -6.018 2.438 1.00 94.79 C
668
+ ATOM 668 CB TRP A 83 2.832 -6.584 1.358 1.00 93.74 C
669
+ ATOM 669 CD1 TRP A 83 2.179 -9.045 1.032 1.00 78.91 C
670
+ ATOM 670 CD2 TRP A 83 4.177 -8.739 1.996 1.00 80.26 C
671
+ ATOM 671 CE2 TRP A 83 3.941 -10.126 1.877 1.00 83.46 C
672
+ ATOM 672 CE3 TRP A 83 5.376 -8.302 2.575 1.00 82.57 C
673
+ ATOM 673 CG TRP A 83 3.039 -8.066 1.448 1.00 88.00 C
674
+ ATOM 674 CH2 TRP A 83 6.025 -10.626 2.879 1.00 81.05 C
675
+ ATOM 675 CZ2 TRP A 83 4.861 -11.081 2.316 1.00 84.66 C
676
+ ATOM 676 CZ3 TRP A 83 6.290 -9.254 3.012 1.00 82.50 C
677
+ ATOM 677 N TRP A 83 0.580 -6.622 2.343 1.00 94.35 N
678
+ ATOM 678 NE1 TRP A 83 2.716 -10.286 1.286 1.00 87.52 N
679
+ ATOM 679 O TRP A 83 1.506 -3.978 1.240 1.00 93.72 O
680
+ ATOM 680 C PHE A 84 3.381 -1.743 3.185 1.00 95.49 C
681
+ ATOM 681 CA PHE A 84 1.992 -2.343 3.361 1.00 95.53 C
682
+ ATOM 682 CB PHE A 84 1.357 -1.829 4.656 1.00 95.13 C
683
+ ATOM 683 CD1 PHE A 84 -1.073 -1.257 4.347 1.00 92.27 C
684
+ ATOM 684 CD2 PHE A 84 -0.516 -3.357 5.346 1.00 91.93 C
685
+ ATOM 685 CE1 PHE A 84 -2.429 -1.555 4.465 1.00 91.70 C
686
+ ATOM 686 CE2 PHE A 84 -1.869 -3.662 5.468 1.00 91.55 C
687
+ ATOM 687 CG PHE A 84 -0.107 -2.154 4.785 1.00 94.23 C
688
+ ATOM 688 CZ PHE A 84 -2.823 -2.759 5.027 1.00 90.75 C
689
+ ATOM 689 N PHE A 84 2.054 -3.801 3.363 1.00 95.31 N
690
+ ATOM 690 O PHE A 84 4.292 -2.033 3.966 1.00 95.18 O
691
+ ATOM 691 C TRP A 85 4.556 1.305 2.219 1.00 95.73 C
692
+ ATOM 692 CA TRP A 85 4.690 -0.191 1.955 1.00 95.88 C
693
+ ATOM 693 CB TRP A 85 5.130 -0.430 0.508 1.00 95.24 C
694
+ ATOM 694 CD1 TRP A 85 4.557 -2.823 -0.220 1.00 78.43 C
695
+ ATOM 695 CD2 TRP A 85 6.717 -2.499 0.273 1.00 79.09 C
696
+ ATOM 696 CE2 TRP A 85 6.538 -3.847 -0.108 1.00 78.75 C
697
+ ATOM 697 CE3 TRP A 85 7.999 -2.059 0.630 1.00 75.42 C
698
+ ATOM 698 CG TRP A 85 5.438 -1.863 0.193 1.00 90.28 C
699
+ ATOM 699 CH2 TRP A 85 8.839 -4.303 0.211 1.00 78.53 C
700
+ ATOM 700 CZ2 TRP A 85 7.595 -4.759 -0.143 1.00 85.23 C
701
+ ATOM 701 CZ3 TRP A 85 9.049 -2.969 0.595 1.00 80.01 C
702
+ ATOM 702 N TRP A 85 3.436 -0.884 2.230 1.00 95.80 N
703
+ ATOM 703 NE1 TRP A 85 5.214 -4.019 -0.405 1.00 88.25 N
704
+ ATOM 704 O TRP A 85 3.652 1.956 1.689 1.00 95.16 O
705
+ ATOM 705 C LEU A 86 6.288 3.999 2.135 1.00 95.66 C
706
+ ATOM 706 CA LEU A 86 5.503 3.293 3.235 1.00 95.72 C
707
+ ATOM 707 CB LEU A 86 6.121 3.605 4.600 1.00 95.09 C
708
+ ATOM 708 CD1 LEU A 86 4.719 5.625 5.091 1.00 86.19 C
709
+ ATOM 709 CD2 LEU A 86 6.857 5.247 6.350 1.00 85.34 C
710
+ ATOM 710 CG LEU A 86 6.140 5.077 5.015 1.00 92.41 C
711
+ ATOM 711 N LEU A 86 5.468 1.852 3.006 1.00 95.69 N
712
+ ATOM 712 O LEU A 86 7.483 3.752 1.963 1.00 95.26 O
713
+ ATOM 713 C VAL A 87 6.338 7.043 0.648 1.00 95.37 C
714
+ ATOM 714 CA VAL A 87 6.159 5.573 0.274 1.00 95.68 C
715
+ ATOM 715 CB VAL A 87 5.265 5.448 -0.980 1.00 95.40 C
716
+ ATOM 716 CG1 VAL A 87 5.890 6.181 -2.165 1.00 94.56 C
717
+ ATOM 717 CG2 VAL A 87 5.029 3.977 -1.321 1.00 94.36 C
718
+ ATOM 718 N VAL A 87 5.603 4.840 1.406 1.00 95.66 N
719
+ ATOM 719 O VAL A 87 5.358 7.768 0.829 1.00 94.75 O
720
+ ATOM 720 C GLU A 88 8.441 9.679 0.032 1.00 94.19 C
721
+ ATOM 721 CA GLU A 88 7.815 8.825 1.131 1.00 94.62 C
722
+ ATOM 722 CB GLU A 88 8.717 8.817 2.368 1.00 93.72 C
723
+ ATOM 723 CD GLU A 88 9.000 8.135 4.799 1.00 88.52 C
724
+ ATOM 724 CG GLU A 88 8.083 8.160 3.587 1.00 90.67 C
725
+ ATOM 725 N GLU A 88 7.569 7.464 0.666 1.00 94.78 N
726
+ ATOM 726 O GLU A 88 8.504 10.905 0.150 1.00 93.09 O
727
+ ATOM 727 OE1 GLU A 88 10.116 7.575 4.705 1.00 84.76 O
728
+ ATOM 728 OE2 GLU A 88 8.600 8.680 5.852 1.00 85.37 O
729
+ ATOM 729 C ARG A 89 8.781 9.040 -3.453 1.00 94.75 C
730
+ ATOM 730 CA ARG A 89 9.292 9.745 -2.201 1.00 94.60 C
731
+ ATOM 731 CB ARG A 89 10.819 9.819 -2.228 1.00 93.05 C
732
+ ATOM 732 CD ARG A 89 12.887 10.887 -3.190 1.00 78.14 C
733
+ ATOM 733 CG ARG A 89 11.371 10.775 -3.272 1.00 82.38 C
734
+ ATOM 734 CZ ARG A 89 14.727 11.887 -4.506 1.00 67.96 C
735
+ ATOM 735 N ARG A 89 8.831 9.066 -0.993 1.00 94.64 N
736
+ ATOM 736 NE ARG A 89 13.432 11.673 -4.294 1.00 73.15 N
737
+ ATOM 737 NH1 ARG A 89 15.641 11.376 -3.688 1.00 58.05 N
738
+ ATOM 738 NH2 ARG A 89 15.112 12.617 -5.542 1.00 52.91 N
739
+ ATOM 739 O ARG A 89 8.818 7.811 -3.539 1.00 94.28 O
740
+ ATOM 740 C TRP A 90 7.924 10.307 -6.722 1.00 94.12 C
741
+ ATOM 741 CA TRP A 90 7.803 9.315 -5.570 1.00 94.96 C
742
+ ATOM 742 CB TRP A 90 6.335 8.922 -5.370 1.00 94.65 C
743
+ ATOM 743 CD1 TRP A 90 4.747 10.893 -5.793 1.00 91.07 C
744
+ ATOM 744 CD2 TRP A 90 5.178 10.502 -3.631 1.00 91.34 C
745
+ ATOM 745 CE2 TRP A 90 4.299 11.603 -3.725 1.00 91.83 C
746
+ ATOM 746 CE3 TRP A 90 5.591 10.068 -2.364 1.00 92.76 C
747
+ ATOM 747 CG TRP A 90 5.450 10.062 -4.966 1.00 93.69 C
748
+ ATOM 748 CH2 TRP A 90 4.246 11.834 -1.369 1.00 90.65 C
749
+ ATOM 749 CZ2 TRP A 90 3.826 12.278 -2.597 1.00 91.69 C
750
+ ATOM 750 CZ3 TRP A 90 5.119 10.741 -1.243 1.00 91.52 C
751
+ ATOM 751 N TRP A 90 8.355 9.874 -4.340 1.00 94.75 N
752
+ ATOM 752 NE1 TRP A 90 4.052 11.822 -5.053 1.00 92.98 N
753
+ ATOM 753 O TRP A 90 8.197 11.489 -6.505 1.00 92.62 O
754
+ ATOM 754 C GLU A 91 6.147 10.646 -9.618 1.00 93.22 C
755
+ ATOM 755 CA GLU A 91 7.600 10.633 -9.150 1.00 93.24 C
756
+ ATOM 756 CB GLU A 91 8.508 10.117 -10.268 1.00 91.80 C
757
+ ATOM 757 CD GLU A 91 9.421 10.471 -12.613 1.00 75.60 C
758
+ ATOM 758 CG GLU A 91 8.532 11.008 -11.502 1.00 81.35 C
759
+ ATOM 759 N GLU A 91 7.760 9.825 -7.945 1.00 93.40 N
760
+ ATOM 760 O GLU A 91 5.478 9.611 -9.610 1.00 92.36 O
761
+ ATOM 761 OE1 GLU A 91 9.987 9.365 -12.456 1.00 71.30 O
762
+ ATOM 762 OE2 GLU A 91 9.554 11.163 -13.647 1.00 68.94 O
763
+ ATOM 763 C GLY A 92 3.453 12.670 -9.482 1.00 91.20 C
764
+ ATOM 764 CA GLY A 92 4.355 12.048 -10.532 1.00 91.28 C
765
+ ATOM 765 N GLY A 92 5.726 11.872 -10.078 1.00 91.29 N
766
+ ATOM 766 O GLY A 92 3.884 12.915 -8.353 1.00 90.25 O
767
+ ATOM 767 C GLU A 93 0.155 12.491 -8.701 1.00 90.49 C
768
+ ATOM 768 CA GLU A 93 1.307 13.468 -8.918 1.00 90.05 C
769
+ ATOM 769 CB GLU A 93 0.776 14.791 -9.478 1.00 87.53 C
770
+ ATOM 770 CD GLU A 93 0.452 15.944 -7.237 1.00 70.99 C
771
+ ATOM 771 CG GLU A 93 -0.189 15.509 -8.546 1.00 76.33 C
772
+ ATOM 772 N GLU A 93 2.318 12.904 -9.807 1.00 90.18 N
773
+ ATOM 773 O GLU A 93 -0.532 12.112 -9.652 1.00 89.25 O
774
+ ATOM 774 OE1 GLU A 93 1.679 16.191 -7.215 1.00 65.77 O
775
+ ATOM 775 OE2 GLU A 93 -0.279 16.036 -6.226 1.00 63.09 O
776
+ ATOM 776 C PRO A 94 -2.386 11.628 -7.598 1.00 88.71 C
777
+ ATOM 777 CA PRO A 94 -1.004 11.107 -7.209 1.00 90.22 C
778
+ ATOM 778 CB PRO A 94 -0.926 10.839 -5.703 1.00 89.34 C
779
+ ATOM 779 CD PRO A 94 0.846 12.407 -6.267 1.00 88.01 C
780
+ ATOM 780 CG PRO A 94 0.421 11.343 -5.296 1.00 88.70 C
781
+ ATOM 781 N PRO A 94 0.055 12.093 -7.432 1.00 90.18 N
782
+ ATOM 782 O PRO A 94 -2.771 12.728 -7.193 1.00 85.84 O
783
+ ATOM 783 C TRP A 95 -5.075 9.918 -9.093 1.00 79.89 C
784
+ ATOM 784 CA TRP A 95 -4.399 11.259 -8.830 1.00 85.55 C
785
+ ATOM 785 CB TRP A 95 -4.527 12.161 -10.061 1.00 78.53 C
786
+ ATOM 786 CD1 TRP A 95 -2.697 11.267 -11.622 1.00 56.68 C
787
+ ATOM 787 CD2 TRP A 95 -4.769 11.143 -12.460 1.00 58.14 C
788
+ ATOM 788 CE2 TRP A 95 -3.864 10.623 -13.413 1.00 48.20 C
789
+ ATOM 789 CE3 TRP A 95 -6.136 11.167 -12.766 1.00 56.66 C
790
+ ATOM 790 CG TRP A 95 -4.001 11.547 -11.323 1.00 64.47 C
791
+ ATOM 791 CH2 TRP A 95 -5.627 10.169 -14.926 1.00 55.95 C
792
+ ATOM 792 CZ2 TRP A 95 -4.284 10.133 -14.651 1.00 65.57 C
793
+ ATOM 793 CZ3 TRP A 95 -6.552 10.678 -14.000 1.00 49.36 C
794
+ ATOM 794 N TRP A 95 -2.995 11.074 -8.475 1.00 86.04 N
795
+ ATOM 795 NE1 TRP A 95 -2.607 10.712 -12.877 1.00 60.67 N
796
+ ATOM 796 O TRP A 95 -4.443 8.984 -9.590 1.00 68.83 O
797
+ ATOM 797 C GLY A 96 -7.384 8.165 -9.909 1.00 74.57 C
798
+ ATOM 798 CA GLY A 96 -6.984 8.466 -8.478 1.00 74.10 C
799
+ ATOM 799 N GLY A 96 -6.185 9.675 -8.350 1.00 75.93 N
800
+ ATOM 800 O GLY A 96 -8.192 8.885 -10.498 1.00 69.33 O
801
+ ATOM 801 C LYS A 97 -8.023 5.801 -12.027 1.00 71.12 C
802
+ ATOM 802 CA LYS A 97 -6.942 6.875 -11.949 1.00 72.27 C
803
+ ATOM 803 CB LYS A 97 -5.678 6.398 -12.666 1.00 67.16 C
804
+ ATOM 804 CD LYS A 97 -3.532 7.003 -13.834 1.00 60.94 C
805
+ ATOM 805 CE LYS A 97 -2.699 8.151 -14.388 1.00 52.10 C
806
+ ATOM 806 CG LYS A 97 -4.690 7.510 -12.985 1.00 62.04 C
807
+ ATOM 807 N LYS A 97 -6.645 7.222 -10.562 1.00 73.71 N
808
+ ATOM 808 NZ LYS A 97 -1.622 7.664 -15.301 1.00 45.34 N
809
+ ATOM 809 O LYS A 97 -8.793 5.756 -12.989 1.00 64.93 O
810
+ ATOM 810 C GLU A 98 -9.861 3.687 -9.945 1.00 62.85 C
811
+ ATOM 811 CA GLU A 98 -8.908 3.642 -11.135 1.00 62.44 C
812
+ ATOM 812 CB GLU A 98 -8.076 2.357 -11.093 1.00 58.38 C
813
+ ATOM 813 CD GLU A 98 -6.597 0.741 -12.380 1.00 56.46 C
814
+ ATOM 814 CG GLU A 98 -7.273 2.103 -12.361 1.00 55.21 C
815
+ ATOM 815 N GLU A 98 -8.039 4.815 -11.162 1.00 65.98 N
816
+ ATOM 816 O GLU A 98 -9.431 3.869 -8.805 1.00 57.25 O
817
+ ATOM 817 OE1 GLU A 98 -6.647 0.024 -11.354 1.00 59.16 O
818
+ ATOM 818 OE2 GLU A 98 -6.013 0.387 -13.429 1.00 52.46 O
819
+ ATOM 819 C GLY A 99 -12.304 6.148 -8.895 1.00 61.35 C
820
+ ATOM 820 CA GLY A 99 -12.051 4.686 -9.214 1.00 59.45 C
821
+ ATOM 821 N GLY A 99 -11.000 4.489 -10.200 1.00 60.88 N
822
+ ATOM 822 O GLY A 99 -12.284 6.996 -9.789 1.00 56.20 O
823
+ ATOM 823 C GLN A 100 -11.575 8.479 -6.921 1.00 66.03 C
824
+ ATOM 824 CA GLN A 100 -12.902 7.752 -7.115 1.00 65.67 C
825
+ ATOM 825 CB GLN A 100 -13.701 7.759 -5.811 1.00 57.68 C
826
+ ATOM 826 CD GLN A 100 -15.933 7.355 -4.687 1.00 54.72 C
827
+ ATOM 827 CG GLN A 100 -15.102 7.178 -5.945 1.00 52.21 C
828
+ ATOM 828 N GLN A 100 -12.691 6.385 -7.579 1.00 64.91 N
829
+ ATOM 829 NE2 GLN A 100 -17.210 6.994 -4.765 1.00 41.08 N
830
+ ATOM 830 O GLN A 100 -10.560 7.855 -6.606 1.00 61.71 O
831
+ ATOM 831 OE1 GLN A 100 -15.432 7.811 -3.655 1.00 54.51 O
832
+ ATOM 832 C PRO A 101 -9.899 10.379 -5.642 1.00 77.71 C
833
+ ATOM 833 CA PRO A 101 -10.436 10.515 -7.065 1.00 75.70 C
834
+ ATOM 834 CB PRO A 101 -10.944 11.936 -7.322 1.00 72.21 C
835
+ ATOM 835 CD PRO A 101 -12.743 10.328 -7.622 1.00 66.32 C
836
+ ATOM 836 CG PRO A 101 -12.335 11.757 -7.837 1.00 67.98 C
837
+ ATOM 837 N PRO A 101 -11.618 9.686 -7.306 1.00 75.86 N
838
+ ATOM 838 O PRO A 101 -10.667 10.127 -4.710 1.00 75.66 O
839
+ ATOM 839 C GLY A 102 -7.735 11.669 -3.716 1.00 87.91 C
840
+ ATOM 840 CA GLY A 102 -7.926 10.278 -4.293 1.00 87.67 C
841
+ ATOM 841 N GLY A 102 -8.600 10.280 -5.581 1.00 87.33 N
842
+ ATOM 842 O GLY A 102 -7.929 12.667 -4.413 1.00 86.32 O
843
+ ATOM 843 C GLU A 103 -6.303 12.830 -0.664 1.00 91.39 C
844
+ ATOM 844 CA GLU A 103 -7.336 13.019 -1.771 1.00 90.48 C
845
+ ATOM 845 CB GLU A 103 -8.632 13.589 -1.190 1.00 89.08 C
846
+ ATOM 846 CD GLU A 103 -10.633 13.213 0.330 1.00 80.17 C
847
+ ATOM 847 CG GLU A 103 -9.299 12.679 -0.168 1.00 83.28 C
848
+ ATOM 848 N GLU A 103 -7.594 11.765 -2.472 1.00 90.22 N
849
+ ATOM 849 O GLU A 103 -6.125 11.719 -0.158 1.00 91.02 O
850
+ ATOM 850 OE1 GLU A 103 -10.843 14.447 0.297 1.00 76.42 O
851
+ ATOM 851 OE2 GLU A 103 -11.474 12.390 0.756 1.00 73.20 O
852
+ ATOM 852 C TRP A 104 -5.586 14.122 2.047 1.00 91.58 C
853
+ ATOM 853 CA TRP A 104 -4.791 13.933 0.759 1.00 92.59 C
854
+ ATOM 854 CB TRP A 104 -3.750 15.047 0.618 1.00 91.81 C
855
+ ATOM 855 CD1 TRP A 104 -2.729 15.325 -1.720 1.00 87.76 C
856
+ ATOM 856 CD2 TRP A 104 -1.580 13.961 -0.366 1.00 88.71 C
857
+ ATOM 857 CE2 TRP A 104 -0.918 14.025 -1.611 1.00 90.78 C
858
+ ATOM 858 CE3 TRP A 104 -1.040 13.161 0.651 1.00 89.05 C
859
+ ATOM 859 CG TRP A 104 -2.735 14.801 -0.457 1.00 90.65 C
860
+ ATOM 860 CH2 TRP A 104 0.767 12.543 -0.857 1.00 86.08 C
861
+ ATOM 861 CZ2 TRP A 104 0.259 13.318 -1.868 1.00 86.79 C
862
+ ATOM 862 CZ3 TRP A 104 0.131 12.458 0.393 1.00 87.21 C
863
+ ATOM 863 N TRP A 104 -5.676 13.909 -0.402 1.00 91.77 N
864
+ ATOM 864 NE1 TRP A 104 -1.638 14.863 -2.419 1.00 87.95 N
865
+ ATOM 865 O TRP A 104 -6.423 15.024 2.140 1.00 90.00 O
866
+ ATOM 866 C MET A 105 -4.875 13.459 5.406 1.00 93.09 C
867
+ ATOM 867 CA MET A 105 -5.925 13.412 4.300 1.00 93.03 C
868
+ ATOM 868 CB MET A 105 -6.864 12.225 4.521 1.00 91.89 C
869
+ ATOM 869 CE MET A 105 -9.956 11.338 5.407 1.00 75.10 C
870
+ ATOM 870 CG MET A 105 -8.036 12.183 3.553 1.00 85.72 C
871
+ ATOM 871 N MET A 105 -5.295 13.331 2.986 1.00 93.00 N
872
+ ATOM 872 O MET A 105 -3.874 12.743 5.346 1.00 92.42 O
873
+ ATOM 873 SD MET A 105 -9.163 10.771 3.876 1.00 81.96 S
874
+ ATOM 874 C SER A 106 -4.268 12.994 8.234 1.00 92.84 C
875
+ ATOM 875 CA SER A 106 -4.318 14.337 7.511 1.00 92.82 C
876
+ ATOM 876 CB SER A 106 -4.745 15.434 8.486 1.00 91.55 C
877
+ ATOM 877 N SER A 106 -5.222 14.288 6.366 1.00 92.82 N
878
+ ATOM 878 O SER A 106 -5.307 12.373 8.471 1.00 92.12 O
879
+ ATOM 879 OG SER A 106 -3.997 15.359 9.688 1.00 82.60 O
880
+ ATOM 880 C LEU A 107 -3.677 11.287 10.577 1.00 90.36 C
881
+ ATOM 881 CA LEU A 107 -2.911 11.293 9.259 1.00 91.26 C
882
+ ATOM 882 CB LEU A 107 -1.426 11.032 9.517 1.00 89.48 C
883
+ ATOM 883 CD1 LEU A 107 -1.659 8.536 9.567 1.00 75.99 C
884
+ ATOM 884 CD2 LEU A 107 0.424 9.616 10.456 1.00 75.65 C
885
+ ATOM 885 CG LEU A 107 -1.085 9.753 10.284 1.00 82.79 C
886
+ ATOM 886 N LEU A 107 -3.092 12.560 8.559 1.00 91.65 N
887
+ ATOM 887 O LEU A 107 -4.313 10.290 10.926 1.00 88.60 O
888
+ ATOM 888 C VAL A 108 -5.888 12.386 12.443 1.00 88.20 C
889
+ ATOM 889 CA VAL A 108 -4.377 12.503 12.629 1.00 88.18 C
890
+ ATOM 890 CB VAL A 108 -4.029 13.831 13.340 1.00 85.81 C
891
+ ATOM 891 CG1 VAL A 108 -4.842 13.985 14.624 1.00 72.78 C
892
+ ATOM 892 CG2 VAL A 108 -2.534 13.899 13.638 1.00 72.19 C
893
+ ATOM 893 N VAL A 108 -3.710 12.397 11.335 1.00 88.91 N
894
+ ATOM 894 O VAL A 108 -6.590 11.875 13.320 1.00 86.61 O
895
+ ATOM 895 C GLY A 109 -8.339 11.418 10.521 1.00 88.71 C
896
+ ATOM 896 CA GLY A 109 -7.805 12.733 11.055 1.00 88.48 C
897
+ ATOM 897 N GLY A 109 -6.373 12.706 11.314 1.00 88.90 N
898
+ ATOM 898 O GLY A 109 -9.550 11.256 10.352 1.00 87.25 O
899
+ ATOM 899 C LEU A 110 -8.690 8.483 10.790 1.00 90.38 C
900
+ ATOM 900 CA LEU A 110 -7.901 9.240 9.728 1.00 91.07 C
901
+ ATOM 901 CB LEU A 110 -6.723 8.389 9.249 1.00 89.84 C
902
+ ATOM 902 CD1 LEU A 110 -4.818 7.968 7.671 1.00 80.99 C
903
+ ATOM 903 CD2 LEU A 110 -6.838 9.236 6.887 1.00 80.78 C
904
+ ATOM 904 CG LEU A 110 -5.920 8.945 8.071 1.00 86.09 C
905
+ ATOM 905 N LEU A 110 -7.430 10.520 10.244 1.00 91.20 N
906
+ ATOM 906 O LEU A 110 -8.227 8.331 11.923 1.00 88.72 O
907
+ ATOM 907 C ASN A 111 -10.676 5.828 10.809 1.00 91.69 C
908
+ ATOM 908 CA ASN A 111 -10.687 7.275 11.291 1.00 91.50 C
909
+ ATOM 909 CB ASN A 111 -12.119 7.814 11.321 1.00 89.86 C
910
+ ATOM 910 CG ASN A 111 -13.005 7.063 12.297 1.00 83.52 C
911
+ ATOM 911 N ASN A 111 -9.839 8.124 10.461 1.00 91.32 N
912
+ ATOM 912 ND2 ASN A 111 -14.281 7.427 12.339 1.00 80.51 N
913
+ ATOM 913 O ASN A 111 -11.137 5.533 9.704 1.00 90.92 O
914
+ ATOM 914 OD1 ASN A 111 -12.545 6.165 13.006 1.00 80.10 O
915
+ ATOM 915 C ALA A 112 -11.370 2.943 10.858 1.00 91.33 C
916
+ ATOM 916 CA ALA A 112 -10.033 3.547 11.279 1.00 91.40 C
917
+ ATOM 917 CB ALA A 112 -9.434 2.750 12.435 1.00 89.68 C
918
+ ATOM 918 N ALA A 112 -10.185 4.951 11.653 1.00 91.30 N
919
+ ATOM 919 O ALA A 112 -11.412 2.024 10.036 1.00 90.14 O
920
+ ATOM 920 C ASP A 113 -14.196 3.245 9.593 1.00 91.33 C
921
+ ATOM 921 CA ASP A 113 -13.829 2.979 11.051 1.00 91.20 C
922
+ ATOM 922 CB ASP A 113 -14.877 3.599 11.978 1.00 89.70 C
923
+ ATOM 923 CG ASP A 113 -14.788 3.082 13.403 1.00 83.92 C
924
+ ATOM 924 N ASP A 113 -12.501 3.495 11.361 1.00 91.34 N
925
+ ATOM 925 O ASP A 113 -15.091 2.600 9.044 1.00 90.32 O
926
+ ATOM 926 OD1 ASP A 113 -14.256 1.972 13.617 1.00 79.67 O
927
+ ATOM 927 OD2 ASP A 113 -15.259 3.791 14.320 1.00 80.84 O
928
+ ATOM 928 C ASP A 114 -13.098 3.510 6.610 1.00 91.78 C
929
+ ATOM 929 CA ASP A 114 -13.803 4.459 7.575 1.00 91.80 C
930
+ ATOM 930 CB ASP A 114 -13.385 5.904 7.291 1.00 90.84 C
931
+ ATOM 931 CG ASP A 114 -14.211 6.922 8.055 1.00 87.79 C
932
+ ATOM 932 N ASP A 114 -13.516 4.107 8.961 1.00 91.53 N
933
+ ATOM 933 O ASP A 114 -13.322 3.568 5.399 1.00 90.85 O
934
+ ATOM 934 OD1 ASP A 114 -15.408 6.668 8.311 1.00 85.20 O
935
+ ATOM 935 OD2 ASP A 114 -13.662 7.990 8.405 1.00 85.69 O
936
+ ATOM 936 C PHE A 115 -11.832 0.340 6.590 1.00 91.76 C
937
+ ATOM 937 CA PHE A 115 -11.400 1.783 6.360 1.00 92.37 C
938
+ ATOM 938 CB PHE A 115 -9.915 1.947 6.697 1.00 92.13 C
939
+ ATOM 939 CD1 PHE A 115 -8.615 3.398 5.105 1.00 91.24 C
940
+ ATOM 940 CD2 PHE A 115 -9.527 4.401 7.074 1.00 91.08 C
941
+ ATOM 941 CE1 PHE A 115 -8.083 4.626 4.721 1.00 90.62 C
942
+ ATOM 942 CE2 PHE A 115 -8.999 5.632 6.697 1.00 90.80 C
943
+ ATOM 943 CG PHE A 115 -9.341 3.275 6.284 1.00 92.27 C
944
+ ATOM 944 CZ PHE A 115 -8.276 5.742 5.519 1.00 90.57 C
945
+ ATOM 945 N PHE A 115 -12.209 2.699 7.154 1.00 92.12 N
946
+ ATOM 946 O PHE A 115 -12.556 0.048 7.544 1.00 90.68 O
947
+ ATOM 947 C PRO A 116 -10.970 -2.389 7.354 1.00 90.28 C
948
+ ATOM 948 CA PRO A 116 -11.598 -1.990 6.021 1.00 90.05 C
949
+ ATOM 949 CB PRO A 116 -10.925 -2.723 4.857 1.00 89.17 C
950
+ ATOM 950 CD PRO A 116 -10.741 -0.364 4.293 1.00 85.92 C
951
+ ATOM 951 CG PRO A 116 -10.938 -1.743 3.729 1.00 86.91 C
952
+ ATOM 952 N PRO A 116 -11.387 -0.577 5.696 1.00 90.05 N
953
+ ATOM 953 O PRO A 116 -9.884 -1.915 7.695 1.00 89.60 O
954
+ ATOM 954 C PRO A 117 -9.675 -4.142 9.344 1.00 89.53 C
955
+ ATOM 955 CA PRO A 117 -11.122 -3.652 9.352 1.00 89.43 C
956
+ ATOM 956 CB PRO A 117 -12.077 -4.775 9.765 1.00 87.85 C
957
+ ATOM 957 CD PRO A 117 -12.980 -3.856 7.702 1.00 81.81 C
958
+ ATOM 958 CG PRO A 117 -13.337 -4.501 9.010 1.00 83.54 C
959
+ ATOM 959 N PRO A 117 -11.598 -3.277 8.018 1.00 89.32 N
960
+ ATOM 960 O PRO A 117 -8.955 -3.966 10.331 1.00 88.50 O
961
+ ATOM 961 C ALA A 118 -6.849 -4.096 8.333 1.00 90.37 C
962
+ ATOM 962 CA ALA A 118 -7.883 -5.212 8.222 1.00 89.91 C
963
+ ATOM 963 CB ALA A 118 -7.711 -5.965 6.906 1.00 89.00 C
964
+ ATOM 964 N ALA A 118 -9.240 -4.683 8.333 1.00 89.71 N
965
+ ATOM 965 O ALA A 118 -5.684 -4.349 8.650 1.00 89.60 O
966
+ ATOM 966 C ASN A 119 -6.155 -1.139 9.435 1.00 91.89 C
967
+ ATOM 967 CA ASN A 119 -6.322 -1.755 8.049 1.00 91.88 C
968
+ ATOM 968 CB ASN A 119 -6.788 -0.697 7.048 1.00 90.81 C
969
+ ATOM 969 CG ASN A 119 -6.663 -1.158 5.609 1.00 87.92 C
970
+ ATOM 970 N ASN A 119 -7.251 -2.881 8.073 1.00 91.43 N
971
+ ATOM 971 ND2 ASN A 119 -7.062 -0.302 4.676 1.00 85.67 N
972
+ ATOM 972 O ASN A 119 -5.284 -0.291 9.641 1.00 90.98 O
973
+ ATOM 973 OD1 ASN A 119 -6.211 -2.273 5.340 1.00 85.14 O
974
+ ATOM 974 C GLU A 120 -5.682 -0.842 12.333 1.00 92.03 C
975
+ ATOM 975 CA GLU A 120 -7.048 -0.816 11.652 1.00 92.04 C
976
+ ATOM 976 CB GLU A 120 -8.096 -1.478 12.549 1.00 90.15 C
977
+ ATOM 977 CD GLU A 120 -9.113 -1.629 14.872 1.00 75.97 C
978
+ ATOM 978 CG GLU A 120 -8.203 -0.854 13.933 1.00 80.58 C
979
+ ATOM 979 N GLU A 120 -7.000 -1.474 10.349 1.00 92.08 N
980
+ ATOM 980 O GLU A 120 -5.206 0.186 12.821 1.00 90.95 O
981
+ ATOM 981 OE1 GLU A 120 -9.823 -2.549 14.407 1.00 72.39 O
982
+ ATOM 982 OE2 GLU A 120 -9.118 -1.313 16.083 1.00 69.70 O
983
+ ATOM 983 C PRO A 121 -2.684 -1.100 12.393 1.00 91.97 C
984
+ ATOM 984 CA PRO A 121 -3.715 -1.975 13.103 1.00 91.85 C
985
+ ATOM 985 CB PRO A 121 -3.297 -3.447 13.069 1.00 90.73 C
986
+ ATOM 986 CD PRO A 121 -5.502 -3.291 12.054 1.00 87.17 C
987
+ ATOM 987 CG PRO A 121 -4.562 -4.197 12.796 1.00 87.77 C
988
+ ATOM 988 N PRO A 121 -5.015 -1.977 12.427 1.00 91.70 N
989
+ ATOM 989 O PRO A 121 -1.825 -0.500 13.045 1.00 91.29 O
990
+ ATOM 990 C VAL A 122 -2.016 1.239 10.582 1.00 93.54 C
991
+ ATOM 991 CA VAL A 122 -1.783 -0.249 10.335 1.00 93.62 C
992
+ ATOM 992 CB VAL A 122 -1.884 -0.561 8.824 1.00 92.26 C
993
+ ATOM 993 CG1 VAL A 122 -1.081 0.452 8.010 1.00 77.91 C
994
+ ATOM 994 CG2 VAL A 122 -1.401 -1.983 8.540 1.00 77.70 C
995
+ ATOM 995 N VAL A 122 -2.740 -1.034 11.108 1.00 93.57 N
996
+ ATOM 996 O VAL A 122 -1.063 2.006 10.729 1.00 92.68 O
997
+ ATOM 997 C ILE A 123 -3.178 3.389 12.285 1.00 93.17 C
998
+ ATOM 998 CA ILE A 123 -3.628 3.005 10.877 1.00 93.77 C
999
+ ATOM 999 CB ILE A 123 -5.143 3.257 10.712 1.00 93.10 C
1000
+ ATOM 1000 CD1 ILE A 123 -7.054 3.032 9.020 1.00 87.15 C
1001
+ ATOM 1001 CG1 ILE A 123 -5.549 3.117 9.241 1.00 90.38 C
1002
+ ATOM 1002 CG2 ILE A 123 -5.523 4.638 11.256 1.00 89.78 C
1003
+ ATOM 1003 N ILE A 123 -3.287 1.611 10.614 1.00 93.71 N
1004
+ ATOM 1004 O ILE A 123 -2.621 4.470 12.493 1.00 91.97 O
1005
+ ATOM 1005 C ALA A 124 -1.414 2.950 14.638 1.00 92.43 C
1006
+ ATOM 1006 CA ALA A 124 -2.930 2.779 14.587 1.00 92.61 C
1007
+ ATOM 1007 CB ALA A 124 -3.364 1.639 15.504 1.00 91.59 C
1008
+ ATOM 1008 N ALA A 124 -3.384 2.533 13.221 1.00 92.69 N
1009
+ ATOM 1009 O ALA A 124 -0.908 3.858 15.302 1.00 91.56 O
1010
+ ATOM 1010 C LYS A 125 1.184 3.453 13.265 1.00 92.95 C
1011
+ ATOM 1011 CA LYS A 125 0.709 2.170 13.940 1.00 93.19 C
1012
+ ATOM 1012 CB LYS A 125 1.290 0.952 13.220 1.00 92.29 C
1013
+ ATOM 1013 CD LYS A 125 3.326 -0.415 12.651 1.00 85.14 C
1014
+ ATOM 1014 CE LYS A 125 4.848 -0.457 12.628 1.00 80.40 C
1015
+ ATOM 1015 CG LYS A 125 2.811 0.902 13.218 1.00 88.26 C
1016
+ ATOM 1016 N LYS A 125 -0.750 2.100 13.969 1.00 93.28 N
1017
+ ATOM 1017 NZ LYS A 125 5.358 -1.762 12.114 1.00 73.74 N
1018
+ ATOM 1018 O LYS A 125 2.143 4.081 13.720 1.00 92.03 O
1019
+ ATOM 1019 C LEU A 126 0.758 6.307 12.384 1.00 91.18 C
1020
+ ATOM 1020 CA LEU A 126 0.891 5.089 11.476 1.00 92.11 C
1021
+ ATOM 1021 CB LEU A 126 0.007 5.263 10.238 1.00 91.00 C
1022
+ ATOM 1022 CD1 LEU A 126 -0.699 4.510 7.952 1.00 79.18 C
1023
+ ATOM 1023 CD2 LEU A 126 1.722 4.969 8.428 1.00 78.86 C
1024
+ ATOM 1024 CG LEU A 126 0.406 4.454 9.002 1.00 86.03 C
1025
+ ATOM 1025 N LEU A 126 0.534 3.867 12.190 1.00 92.41 N
1026
+ ATOM 1026 O LEU A 126 1.606 7.202 12.356 1.00 89.51 O
1027
+ ATOM 1027 C LYS A 127 0.494 7.596 15.177 1.00 89.52 C
1028
+ ATOM 1028 CA LYS A 127 -0.510 7.497 14.032 1.00 90.92 C
1029
+ ATOM 1029 CB LYS A 127 -1.933 7.417 14.589 1.00 90.09 C
1030
+ ATOM 1030 CD LYS A 127 -4.404 7.681 14.187 1.00 86.94 C
1031
+ ATOM 1031 CE LYS A 127 -5.480 8.057 13.177 1.00 83.90 C
1032
+ ATOM 1032 CG LYS A 127 -3.017 7.685 13.556 1.00 88.31 C
1033
+ ATOM 1033 N LYS A 127 -0.228 6.344 13.182 1.00 91.43 N
1034
+ ATOM 1034 NZ LYS A 127 -6.832 8.130 13.809 1.00 80.93 N
1035
+ ATOM 1035 O LYS A 127 0.619 8.645 15.811 1.00 87.27 O
1036
+ ATOM 1036 C ARG A 128 3.601 7.039 15.880 1.00 87.55 C
1037
+ ATOM 1037 CA ARG A 128 2.273 6.525 16.426 1.00 88.90 C
1038
+ ATOM 1038 CB ARG A 128 2.459 5.129 17.026 1.00 86.68 C
1039
+ ATOM 1039 CD ARG A 128 1.623 3.394 18.648 1.00 75.21 C
1040
+ ATOM 1040 CG ARG A 128 1.290 4.665 17.880 1.00 78.94 C
1041
+ ATOM 1041 CZ ARG A 128 1.143 1.117 17.808 1.00 68.61 C
1042
+ ATOM 1042 N ARG A 128 1.251 6.504 15.384 1.00 89.81 N
1043
+ ATOM 1043 NE ARG A 128 1.823 2.259 17.750 1.00 70.16 N
1044
+ ATOM 1044 NH1 ARG A 128 0.201 0.935 18.727 1.00 58.60 N
1045
+ ATOM 1045 NH2 ARG A 128 1.407 0.150 16.941 1.00 54.36 N
1046
+ ATOM 1046 O ARG A 128 4.554 7.237 16.637 1.00 84.61 O
1047
+ ATOM 1047 C LEU A 129 4.970 9.275 14.330 1.00 75.34 C
1048
+ ATOM 1048 CA LEU A 129 4.803 7.788 14.038 1.00 78.37 C
1049
+ ATOM 1049 CB LEU A 129 4.817 7.548 12.526 1.00 75.94 C
1050
+ ATOM 1050 CD1 LEU A 129 4.829 6.003 10.552 1.00 69.38 C
1051
+ ATOM 1051 CD2 LEU A 129 6.226 5.471 12.567 1.00 69.47 C
1052
+ ATOM 1052 CG LEU A 129 4.925 6.092 12.071 1.00 73.15 C
1053
+ ATOM 1053 N LEU A 129 3.568 7.279 14.624 1.00 80.24 N
1054
+ ATOM 1054 O LEU A 129 6.079 9.736 14.613 1.00 69.53 O
1055
+ TER 1055 LEU A 129
1056
+ END
1pun/1pun_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1vyq/1vyq_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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+
1vyq/1vyq_ligand.sdf ADDED
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The diff for this file is too large to render. See raw diff
 
1vyq/1vyq_protein_processed_fix.pdb ADDED
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1yc4/1yc4_ligand.mol2 ADDED
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1yc4/1yc4_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yc4/1yc4_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2a8g/2a8g_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
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+ ###
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5
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2a8g/2a8g_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2a8g/2a8g_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hvx/2hvx_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
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+ ###
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+
5
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11
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22
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23
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25
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26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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45
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46
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47
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48
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49
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50
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51
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52
+ 40 H12 61.7551 57.5438 -11.9058 H 1 DRX 0.0614
53
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54
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+ @<TRIPOS>SUBSTRUCTURE
100
+ 1 DRX 1
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+
2hvx/2hvx_ligand.sdf ADDED
@@ -0,0 +1,95 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ M END
95
+ $$$$
2hvx/2hvx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hvx/2hvx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2mnz/2mnz_ligand.mol2 ADDED
@@ -0,0 +1,357 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:13:20 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2mnz_ligand
7
+ 171 170 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -3.6270 -1.8480 7.5470 N.4 1 ALA 0.2377
14
+ 2 CA -2.6820 -1.8110 6.3970 C.3 1 ALA 0.0621
15
+ 3 C -1.2590 -1.9970 6.9050 C.2 1 ALA 0.2264
16
+ 4 O -0.9420 -1.6440 8.0230 O.2 1 ALA -0.3907
17
+ 5 CB -2.7830 -0.4620 5.6790 C.3 1 ALA -0.0040
18
+ 6 N -0.4010 -2.5440 6.0910 N.am 1 ARG -0.2610
19
+ 7 CA 1.0080 -2.7470 6.5250 C.3 1 ARG 0.1312
20
+ 8 C 1.9190 -1.8460 5.6870 C.2 1 ARG 0.2040
21
+ 9 O 1.7350 -1.6900 4.4970 O.2 1 ARG -0.3944
22
+ 10 CB 1.3700 -4.2200 6.3450 C.3 1 ARG -0.0092
23
+ 11 CG 0.5950 -5.0440 7.3740 C.3 1 ARG -0.0156
24
+ 12 CD 0.4930 -6.4940 6.9040 C.3 1 ARG 0.0627
25
+ 13 NE 1.8460 -7.1160 6.9020 N.pl3 1 ARG -0.2723
26
+ 14 CZ 2.0980 -8.1260 6.1130 C.cat 1 ARG 0.2882
27
+ 15 NH1 1.1630 -8.5910 5.3280 N.pl3 1 ARG -0.2849
28
+ 16 NH2 3.2830 -8.6710 6.1080 N.pl3 1 ARG -0.2849
29
+ 17 N 2.8790 -1.2210 6.3140 N.am 1 THR -0.2613
30
+ 18 CA 3.7810 -0.2920 5.5760 C.3 1 THR 0.1565
31
+ 19 C 4.8300 -1.0600 4.7700 C.2 1 THR 0.2065
32
+ 20 O 5.3850 -2.0430 5.2160 O.2 1 THR -0.3943
33
+ 21 CB 4.4900 0.6240 6.5800 C.3 1 THR 0.0924
34
+ 22 OG1 3.7090 1.7910 6.7860 O.3 1 THR -0.3874
35
+ 23 CG2 5.8680 1.0140 6.0430 C.3 1 THR -0.0346
36
+ 24 N 5.1180 -0.5850 3.5870 N.am 1 LYS -0.2637
37
+ 25 CA 6.1470 -1.2420 2.7370 C.3 1 LYS 0.1310
38
+ 26 C 7.0890 -0.1590 2.2040 C.2 1 LYS 0.2039
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+ 27 O 6.6640 0.9350 1.8770 O.2 1 LYS -0.3944
40
+ 28 CB 5.4740 -1.9650 1.5660 C.3 1 LYS -0.0122
41
+ 29 CG 5.9890 -3.4040 1.4830 C.3 1 LYS -0.0440
42
+ 30 CD 5.2870 -4.2550 2.5440 C.3 1 LYS -0.0124
43
+ 31 CE 5.8820 -5.6630 2.5440 C.3 1 LYS -0.0354
44
+ 32 NZ 7.3700 -5.5690 2.5460 N.4 1 LYS 0.2185
45
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46
+ 34 CA 9.3350 0.5690 1.6350 C.3 1 GLN 0.1330
47
+ 35 C 10.2100 -0.0350 0.5380 C.2 1 GLN 0.2041
48
+ 36 O 10.4130 -1.2320 0.4830 O.2 1 GLN -0.3944
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50
+ 38 CG 11.1300 -0.1640 3.2090 C.3 1 GLN 0.0412
51
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52
+ 40 OE1 11.2270 0.7300 5.4240 O.2 1 GLN -0.3973
53
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54
+ 42 N 10.7410 0.7830 -0.3320 N.am 1 THR -0.2613
55
+ 43 CA 11.6140 0.2360 -1.4130 C.3 1 THR 0.1565
56
+ 44 C 12.7460 1.2190 -1.7170 C.2 1 THR 0.2065
57
+ 45 O 12.5170 2.3870 -1.9680 O.2 1 THR -0.3943
58
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60
+ 48 CG2 11.6130 -0.7800 -3.6940 C.3 1 THR -0.0346
61
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62
+ 50 CA 15.1100 1.6590 -2.0110 C.3 1 ALA 0.1282
63
+ 51 C 16.1750 0.8920 -2.7960 C.2 1 ALA 0.2036
64
+ 52 O 16.2920 -0.3120 -2.6820 O.2 1 ALA -0.3944
65
+ 53 CB 15.7120 2.1700 -0.6990 C.3 1 ALA -0.0244
66
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67
+ 55 CA 18.0100 0.8930 -4.3860 C.3 1 ARG 0.1311
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71
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72
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73
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74
+ 62 CZ 13.6890 0.4650 -7.6420 C.cat 1 ARG 0.2882
75
+ 63 NH1 13.8320 1.6480 -7.1100 N.pl3 1 ARG -0.2849
76
+ 64 NH2 12.4930 -0.0050 -7.8740 N.pl3 1 ARG -0.2849
77
+ 65 N 20.4190 0.7850 -4.1170 N.am 1 LYS -0.2637
78
+ 66 CA 21.7690 1.3630 -3.8610 C.3 1 LYS 0.1309
79
+ 67 C 22.5820 1.3430 -5.1560 C.2 1 LYS 0.2034
80
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81
+ 69 CB 22.4890 0.5290 -2.7970 C.3 1 LYS -0.0122
82
+ 70 CG 21.6090 0.3980 -1.5470 C.3 1 LYS -0.0440
83
+ 71 CD 21.4130 1.7740 -0.9020 C.3 1 LYS -0.0124
84
+ 72 CE 20.8720 1.5960 0.5170 C.3 1 LYS -0.0354
85
+ 73 NZ 20.5420 2.9300 1.0950 N.4 1 LYS 0.2185
86
+ 74 N 23.4220 2.3200 -5.3560 N.am 1 SER -0.2672
87
+ 75 CA 24.2420 2.3550 -6.6000 C.3 1 SER 0.1173
88
+ 76 C 25.2000 3.5460 -6.5460 C.2 1 SER 0.0623
89
+ 77 O 26.3940 3.3280 -6.6720 O.co2 1 SER -0.5665
90
+ 78 CB 23.3220 2.4950 -7.8140 C.3 1 SER 0.0789
91
+ 79 OG 22.2010 3.2950 -7.4620 O.3 1 SER -0.3910
92
+ 80 OXT 24.7240 4.6570 -6.3810 O.co2 1 SER -0.5665
93
+ 81 H -4.5695 -1.7249 7.2115 H 1 ALA 0.2015
94
+ 82 H -3.4006 -1.1072 8.1920 H 1 ALA 0.2015
95
+ 83 H -3.5508 -2.7369 8.0161 H 1 ALA 0.2015
96
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97
+ 85 H -2.0818 -0.4442 4.8317 H 1 ALA 0.0310
98
+ 86 H -2.5307 0.3467 6.3807 H 1 ALA 0.0310
99
+ 87 H -3.8090 -0.3195 5.3088 H 1 ALA 0.0310
100
+ 88 H -0.6889 -2.8269 5.1761 H 1 ARG 0.1884
101
+ 89 H 1.1107 -2.4769 7.5864 H 1 ARG 0.0800
102
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103
+ 91 H 1.0997 -4.5464 5.3299 H 1 ARG 0.0313
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+ 92 H -0.4157 -4.6258 7.4905 H 1 ARG 0.0301
105
+ 93 H 1.1199 -5.0092 8.3401 H 1 ARG 0.0301
106
+ 94 H 0.0768 -6.5203 5.8861 H 1 ARG 0.0689
107
+ 95 H -0.1659 -7.0536 7.5842 H 1 ARG 0.0689
108
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109
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+ 98 H 0.2270 -8.1612 5.3312 H 1 ARG 0.2615
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+ 104 H 4.1482 2.3588 7.4082 H 1 THR 0.2101
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+ 105 H 6.3714 1.6709 6.7676 H 1 THR 0.0257
118
+ 106 H 5.7521 1.5442 5.0862 H 1 THR 0.0257
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+ 107 H 6.4716 0.1074 5.8890 H 1 THR 0.0257
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+ 108 H 4.6423 0.2275 3.2501 H 1 LYS 0.1883
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122
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123
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124
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126
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128
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129
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130
+ 118 H 7.7652 -6.4963 2.5460 H 1 LYS 0.1994
131
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132
+ 120 H 7.6765 -5.0732 1.7236 H 1 LYS 0.1994
133
+ 121 H 8.6842 -1.3551 2.4033 H 1 GLN 0.1883
134
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135
+ 123 H 9.6059 1.3062 3.6482 H 1 GLN 0.0337
136
+ 124 H 10.8548 1.8529 2.4785 H 1 GLN 0.0337
137
+ 125 H 11.8845 -0.3404 2.4283 H 1 GLN 0.0504
138
+ 126 H 10.5185 -1.0690 3.3392 H 1 GLN 0.0504
139
+ 127 H 13.5509 0.0687 5.5431 H 1 GLN 0.1814
140
+ 128 H 13.5811 -0.6071 3.9486 H 1 GLN 0.1814
141
+ 129 H 10.5644 1.7656 -0.2744 H 1 THR 0.1884
142
+ 130 H 12.0427 -0.7216 -1.0825 H 1 THR 0.0826
143
+ 131 H 10.5100 0.9833 -3.1108 H 1 THR 0.0639
144
+ 132 H 9.0989 -0.2206 -1.7238 H 1 THR 0.2101
145
+ 133 H 11.0169 -0.9412 -4.6043 H 1 THR 0.0257
146
+ 134 H 11.8927 -1.7521 -3.2620 H 1 THR 0.0257
147
+ 135 H 12.5227 -0.2156 -3.9466 H 1 THR 0.0257
148
+ 136 H 14.1309 -0.2107 -1.5073 H 1 ALA 0.1883
149
+ 137 H 14.7569 2.5119 -2.6092 H 1 ALA 0.0797
150
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+ 79170 1 0 0 0
344
+ M END
345
+ $$$$
2mnz/2mnz_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,428 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 14.189 -13.213 -4.056 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 14.055 -11.924 -4.730 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 13.258 -10.940 -3.878 1.00 0.00 C
5
+ ATOM 4 CB ALA A 1 13.393 -12.102 -6.093 1.00 0.00 C
6
+ ATOM 5 O ALA A 1 12.189 -11.278 -3.367 1.00 0.00 O
7
+ ATOM 6 N VAL A 2 13.878 -10.165 -2.955 1.00 0.00 N
8
+ ATOM 7 CA VAL A 2 13.128 -9.391 -1.972 1.00 0.00 C
9
+ ATOM 8 C VAL A 2 11.919 -8.741 -2.640 1.00 0.00 C
10
+ ATOM 9 CB VAL A 2 14.011 -8.312 -1.303 1.00 0.00 C
11
+ ATOM 10 O VAL A 2 12.057 -8.048 -3.651 1.00 0.00 O
12
+ ATOM 11 CG1 VAL A 2 13.269 -7.651 -0.144 1.00 0.00 C
13
+ ATOM 12 CG2 VAL A 2 15.325 -8.924 -0.821 1.00 0.00 C
14
+ ATOM 13 N ASP A 3 10.807 -9.443 -2.861 1.00 0.00 N
15
+ ATOM 14 CA ASP A 3 9.519 -8.924 -3.312 1.00 0.00 C
16
+ ATOM 15 C ASP A 3 9.244 -7.545 -2.717 1.00 0.00 C
17
+ ATOM 16 CB ASP A 3 8.392 -9.890 -2.944 1.00 0.00 C
18
+ ATOM 17 O ASP A 3 9.036 -7.415 -1.509 1.00 0.00 O
19
+ ATOM 18 CG ASP A 3 8.342 -11.113 -3.842 1.00 0.00 C
20
+ ATOM 19 OD1 ASP A 3 8.804 -11.037 -5.002 1.00 0.00 O
21
+ ATOM 20 OD2 ASP A 3 7.833 -12.161 -3.388 1.00 0.00 O
22
+ ATOM 21 N LEU A 4 9.891 -6.527 -3.104 1.00 0.00 N
23
+ ATOM 22 CA LEU A 4 9.682 -5.155 -2.653 1.00 0.00 C
24
+ ATOM 23 C LEU A 4 8.238 -4.722 -2.886 1.00 0.00 C
25
+ ATOM 24 CB LEU A 4 10.636 -4.201 -3.377 1.00 0.00 C
26
+ ATOM 25 O LEU A 4 7.676 -4.968 -3.955 1.00 0.00 O
27
+ ATOM 26 CG LEU A 4 12.119 -4.330 -3.025 1.00 0.00 C
28
+ ATOM 27 CD1 LEU A 4 12.978 -3.662 -4.095 1.00 0.00 C
29
+ ATOM 28 CD2 LEU A 4 12.397 -3.723 -1.654 1.00 0.00 C
30
+ ATOM 29 N TYR A 5 7.494 -4.654 -1.879 1.00 0.00 N
31
+ ATOM 30 CA TYR A 5 6.182 -4.025 -1.976 1.00 0.00 C
32
+ ATOM 31 C TYR A 5 6.260 -2.722 -2.764 1.00 0.00 C
33
+ ATOM 32 CB TYR A 5 5.607 -3.759 -0.583 1.00 0.00 C
34
+ ATOM 33 O TYR A 5 7.070 -1.847 -2.449 1.00 0.00 O
35
+ ATOM 34 CG TYR A 5 5.414 -5.009 0.243 1.00 0.00 C
36
+ ATOM 35 CD1 TYR A 5 4.319 -5.844 0.031 1.00 0.00 C
37
+ ATOM 36 CD2 TYR A 5 6.324 -5.356 1.234 1.00 0.00 C
38
+ ATOM 37 CE1 TYR A 5 4.136 -6.995 0.790 1.00 0.00 C
39
+ ATOM 38 CE2 TYR A 5 6.151 -6.504 1.999 1.00 0.00 C
40
+ ATOM 39 OH TYR A 5 4.879 -8.455 2.525 1.00 0.00 O
41
+ ATOM 40 CZ TYR A 5 5.056 -7.317 1.771 1.00 0.00 C
42
+ ATOM 41 N VAL A 6 5.575 -2.789 -3.912 1.00 0.00 N
43
+ ATOM 42 CA VAL A 6 5.421 -1.595 -4.736 1.00 0.00 C
44
+ ATOM 43 C VAL A 6 3.949 -1.194 -4.794 1.00 0.00 C
45
+ ATOM 44 CB VAL A 6 5.969 -1.816 -6.164 1.00 0.00 C
46
+ ATOM 45 O VAL A 6 3.063 -2.048 -4.725 1.00 0.00 O
47
+ ATOM 46 CG1 VAL A 6 7.479 -2.052 -6.132 1.00 0.00 C
48
+ ATOM 47 CG2 VAL A 6 5.256 -2.990 -6.832 1.00 0.00 C
49
+ ATOM 48 N CYS A 7 3.738 0.075 -4.847 1.00 0.00 N
50
+ ATOM 49 CA CYS A 7 2.385 0.586 -5.036 1.00 0.00 C
51
+ ATOM 50 C CYS A 7 1.805 0.117 -6.366 1.00 0.00 C
52
+ ATOM 51 CB CYS A 7 2.376 2.113 -4.977 1.00 0.00 C
53
+ ATOM 52 O CYS A 7 2.430 0.285 -7.414 1.00 0.00 O
54
+ ATOM 53 SG CYS A 7 0.751 2.843 -5.275 1.00 0.00 S
55
+ ATOM 54 N LEU A 8 0.634 -0.506 -6.381 1.00 0.00 N
56
+ ATOM 55 CA LEU A 8 0.018 -1.010 -7.604 1.00 0.00 C
57
+ ATOM 56 C LEU A 8 -0.397 0.140 -8.516 1.00 0.00 C
58
+ ATOM 57 CB LEU A 8 -1.198 -1.879 -7.274 1.00 0.00 C
59
+ ATOM 58 O LEU A 8 -0.629 -0.063 -9.711 1.00 0.00 O
60
+ ATOM 59 CG LEU A 8 -1.444 -3.077 -8.191 1.00 0.00 C
61
+ ATOM 60 CD1 LEU A 8 -0.566 -4.253 -7.775 1.00 0.00 C
62
+ ATOM 61 CD2 LEU A 8 -2.917 -3.471 -8.174 1.00 0.00 C
63
+ ATOM 62 N LEU A 9 -0.426 1.378 -7.984 1.00 0.00 N
64
+ ATOM 63 CA LEU A 9 -0.868 2.515 -8.783 1.00 0.00 C
65
+ ATOM 64 C LEU A 9 0.319 3.211 -9.440 1.00 0.00 C
66
+ ATOM 65 CB LEU A 9 -1.643 3.512 -7.918 1.00 0.00 C
67
+ ATOM 66 O LEU A 9 0.298 3.481 -10.644 1.00 0.00 O
68
+ ATOM 67 CG LEU A 9 -3.002 3.042 -7.395 1.00 0.00 C
69
+ ATOM 68 CD1 LEU A 9 -3.611 4.099 -6.480 1.00 0.00 C
70
+ ATOM 69 CD2 LEU A 9 -3.941 2.726 -8.554 1.00 0.00 C
71
+ ATOM 70 N CYS A 10 1.403 3.465 -8.751 1.00 0.00 N
72
+ ATOM 71 CA CYS A 10 2.492 4.241 -9.331 1.00 0.00 C
73
+ ATOM 72 C CYS A 10 3.679 3.347 -9.669 1.00 0.00 C
74
+ ATOM 73 CB CYS A 10 2.931 5.348 -8.374 1.00 0.00 C
75
+ ATOM 74 O CYS A 10 4.616 3.779 -10.344 1.00 0.00 O
76
+ ATOM 75 SG CYS A 10 3.743 4.739 -6.880 1.00 0.00 S
77
+ ATOM 76 N GLY A 11 3.684 2.086 -9.134 1.00 0.00 N
78
+ ATOM 77 CA GLY A 11 4.733 1.144 -9.491 1.00 0.00 C
79
+ ATOM 78 C GLY A 11 6.003 1.331 -8.682 1.00 0.00 C
80
+ ATOM 79 O GLY A 11 7.016 0.681 -8.949 1.00 0.00 O
81
+ ATOM 80 N SER A 12 5.911 2.234 -7.699 1.00 0.00 N
82
+ ATOM 81 CA SER A 12 7.117 2.555 -6.943 1.00 0.00 C
83
+ ATOM 82 C SER A 12 7.055 1.980 -5.532 1.00 0.00 C
84
+ ATOM 83 CB SER A 12 7.322 4.069 -6.877 1.00 0.00 C
85
+ ATOM 84 O SER A 12 5.976 1.880 -4.944 1.00 0.00 O
86
+ ATOM 85 OG SER A 12 8.437 4.391 -6.063 1.00 0.00 O
87
+ ATOM 86 N GLY A 13 8.237 1.539 -4.977 1.00 0.00 N
88
+ ATOM 87 CA GLY A 13 8.369 1.112 -3.593 1.00 0.00 C
89
+ ATOM 88 C GLY A 13 8.864 2.214 -2.674 1.00 0.00 C
90
+ ATOM 89 O GLY A 13 9.191 1.960 -1.513 1.00 0.00 O
91
+ ATOM 90 N ASN A 14 8.931 3.472 -3.198 1.00 0.00 N
92
+ ATOM 91 CA ASN A 14 9.374 4.611 -2.401 1.00 0.00 C
93
+ ATOM 92 C ASN A 14 8.323 5.017 -1.372 1.00 0.00 C
94
+ ATOM 93 CB ASN A 14 9.719 5.797 -3.305 1.00 0.00 C
95
+ ATOM 94 O ASN A 14 7.177 4.572 -1.439 1.00 0.00 O
96
+ ATOM 95 CG ASN A 14 10.910 5.521 -4.201 1.00 0.00 C
97
+ ATOM 96 ND2 ASN A 14 10.944 6.170 -5.359 1.00 0.00 N
98
+ ATOM 97 OD1 ASN A 14 11.792 4.731 -3.856 1.00 0.00 O
99
+ ATOM 98 N ASP A 15 8.857 5.701 -0.332 1.00 0.00 N
100
+ ATOM 99 CA ASP A 15 7.996 6.167 0.750 1.00 0.00 C
101
+ ATOM 100 C ASP A 15 7.303 4.997 1.443 1.00 0.00 C
102
+ ATOM 101 CB ASP A 15 6.956 7.157 0.221 1.00 0.00 C
103
+ ATOM 102 O ASP A 15 6.076 4.981 1.567 1.00 0.00 O
104
+ ATOM 103 CG ASP A 15 7.577 8.403 -0.386 1.00 0.00 C
105
+ ATOM 104 OD1 ASP A 15 8.489 8.992 0.233 1.00 0.00 O
106
+ ATOM 105 OD2 ASP A 15 7.149 8.799 -1.492 1.00 0.00 O
107
+ ATOM 106 N GLU A 16 8.074 4.102 1.938 1.00 0.00 N
108
+ ATOM 107 CA GLU A 16 7.618 2.846 2.524 1.00 0.00 C
109
+ ATOM 108 C GLU A 16 6.706 3.094 3.722 1.00 0.00 C
110
+ ATOM 109 CB GLU A 16 8.811 1.982 2.941 1.00 0.00 C
111
+ ATOM 110 O GLU A 16 5.798 2.304 3.992 1.00 0.00 O
112
+ ATOM 111 CG GLU A 16 8.423 0.598 3.442 1.00 0.00 C
113
+ ATOM 112 CD GLU A 16 9.618 -0.251 3.844 1.00 0.00 C
114
+ ATOM 113 OE1 GLU A 16 10.772 0.164 3.588 1.00 0.00 O
115
+ ATOM 114 OE2 GLU A 16 9.400 -1.340 4.420 1.00 0.00 O
116
+ ATOM 115 N ASP A 17 6.937 4.184 4.396 1.00 0.00 N
117
+ ATOM 116 CA ASP A 17 6.164 4.479 5.598 1.00 0.00 C
118
+ ATOM 117 C ASP A 17 4.727 4.861 5.249 1.00 0.00 C
119
+ ATOM 118 CB ASP A 17 6.826 5.602 6.400 1.00 0.00 C
120
+ ATOM 119 O ASP A 17 3.859 4.896 6.123 1.00 0.00 O
121
+ ATOM 120 CG ASP A 17 6.978 6.888 5.606 1.00 0.00 C
122
+ ATOM 121 OD1 ASP A 17 7.467 6.840 4.456 1.00 0.00 O
123
+ ATOM 122 OD2 ASP A 17 6.608 7.958 6.136 1.00 0.00 O
124
+ ATOM 123 N ARG A 18 4.482 5.066 4.110 1.00 0.00 N
125
+ ATOM 124 CA ARG A 18 3.132 5.423 3.687 1.00 0.00 C
126
+ ATOM 125 C ARG A 18 2.550 4.359 2.761 1.00 0.00 C
127
+ ATOM 126 CB ARG A 18 3.128 6.784 2.989 1.00 0.00 C
128
+ ATOM 127 O ARG A 18 1.557 4.605 2.073 1.00 0.00 O
129
+ ATOM 128 CG ARG A 18 3.537 7.939 3.891 1.00 0.00 C
130
+ ATOM 129 CD ARG A 18 3.373 9.283 3.195 1.00 0.00 C
131
+ ATOM 130 NE ARG A 18 3.877 10.380 4.015 1.00 0.00 N
132
+ ATOM 131 NH1 ARG A 18 3.283 12.042 2.526 1.00 0.00 N
133
+ ATOM 132 NH2 ARG A 18 4.311 12.582 4.502 1.00 0.00 N
134
+ ATOM 133 CZ ARG A 18 3.823 11.666 3.680 1.00 0.00 C
135
+ ATOM 134 N LEU A 19 3.183 3.278 2.575 1.00 0.00 N
136
+ ATOM 135 CA LEU A 19 2.701 2.139 1.801 1.00 0.00 C
137
+ ATOM 136 C LEU A 19 1.821 1.233 2.656 1.00 0.00 C
138
+ ATOM 137 CB LEU A 19 3.876 1.340 1.232 1.00 0.00 C
139
+ ATOM 138 O LEU A 19 2.255 0.753 3.706 1.00 0.00 O
140
+ ATOM 139 CG LEU A 19 3.560 0.407 0.062 1.00 0.00 C
141
+ ATOM 140 CD1 LEU A 19 3.234 1.217 -1.188 1.00 0.00 C
142
+ ATOM 141 CD2 LEU A 19 4.726 -0.540 -0.196 1.00 0.00 C
143
+ ATOM 142 N LEU A 20 0.636 1.056 2.296 1.00 0.00 N
144
+ ATOM 143 CA LEU A 20 -0.336 0.222 2.994 1.00 0.00 C
145
+ ATOM 144 C LEU A 20 -0.441 -1.153 2.342 1.00 0.00 C
146
+ ATOM 145 CB LEU A 20 -1.709 0.898 3.010 1.00 0.00 C
147
+ ATOM 146 O LEU A 20 -0.535 -1.259 1.117 1.00 0.00 O
148
+ ATOM 147 CG LEU A 20 -1.825 2.178 3.840 1.00 0.00 C
149
+ ATOM 148 CD1 LEU A 20 -3.181 2.838 3.611 1.00 0.00 C
150
+ ATOM 149 CD2 LEU A 20 -1.615 1.876 5.320 1.00 0.00 C
151
+ ATOM 150 N LEU A 21 -0.384 -2.195 3.117 1.00 0.00 N
152
+ ATOM 151 CA LEU A 21 -0.626 -3.545 2.620 1.00 0.00 C
153
+ ATOM 152 C LEU A 21 -2.061 -3.978 2.897 1.00 0.00 C
154
+ ATOM 153 CB LEU A 21 0.351 -4.535 3.261 1.00 0.00 C
155
+ ATOM 154 O LEU A 21 -2.535 -3.884 4.031 1.00 0.00 O
156
+ ATOM 155 CG LEU A 21 1.827 -4.366 2.897 1.00 0.00 C
157
+ ATOM 156 CD1 LEU A 21 2.700 -5.212 3.815 1.00 0.00 C
158
+ ATOM 157 CD2 LEU A 21 2.063 -4.734 1.436 1.00 0.00 C
159
+ ATOM 158 N CYS A 22 -2.747 -4.359 1.840 1.00 0.00 N
160
+ ATOM 159 CA CYS A 22 -4.143 -4.759 1.979 1.00 0.00 C
161
+ ATOM 160 C CYS A 22 -4.262 -6.050 2.782 1.00 0.00 C
162
+ ATOM 161 CB CYS A 22 -4.787 -4.941 0.606 1.00 0.00 C
163
+ ATOM 162 O CYS A 22 -3.538 -7.013 2.527 1.00 0.00 O
164
+ ATOM 163 SG CYS A 22 -6.486 -5.552 0.673 1.00 0.00 S
165
+ ATOM 164 N ASP A 23 -5.090 -6.222 3.794 1.00 0.00 N
166
+ ATOM 165 CA ASP A 23 -5.272 -7.404 4.631 1.00 0.00 C
167
+ ATOM 166 C ASP A 23 -6.051 -8.487 3.889 1.00 0.00 C
168
+ ATOM 167 CB ASP A 23 -5.991 -7.036 5.931 1.00 0.00 C
169
+ ATOM 168 O ASP A 23 -6.141 -9.625 4.356 1.00 0.00 O
170
+ ATOM 169 CG ASP A 23 -5.121 -6.230 6.881 1.00 0.00 C
171
+ ATOM 170 OD1 ASP A 23 -3.908 -6.512 6.985 1.00 0.00 O
172
+ ATOM 171 OD2 ASP A 23 -5.656 -5.309 7.535 1.00 0.00 O
173
+ ATOM 172 N GLY A 24 -6.574 -8.071 2.725 1.00 0.00 N
174
+ ATOM 173 CA GLY A 24 -7.314 -9.035 1.926 1.00 0.00 C
175
+ ATOM 174 C GLY A 24 -6.459 -9.724 0.880 1.00 0.00 C
176
+ ATOM 175 O GLY A 24 -6.496 -10.950 0.750 1.00 0.00 O
177
+ ATOM 176 N CYS A 25 -5.572 -9.014 0.130 1.00 0.00 N
178
+ ATOM 177 CA CYS A 25 -4.896 -9.565 -1.038 1.00 0.00 C
179
+ ATOM 178 C CYS A 25 -3.394 -9.311 -0.970 1.00 0.00 C
180
+ ATOM 179 CB CYS A 25 -5.466 -8.964 -2.322 1.00 0.00 C
181
+ ATOM 180 O CYS A 25 -2.651 -9.714 -1.865 1.00 0.00 O
182
+ ATOM 181 SG CYS A 25 -5.087 -7.211 -2.536 1.00 0.00 S
183
+ ATOM 182 N ASP A 26 -2.918 -8.549 -0.082 1.00 0.00 N
184
+ ATOM 183 CA ASP A 26 -1.515 -8.267 0.207 1.00 0.00 C
185
+ ATOM 184 C ASP A 26 -0.936 -7.277 -0.802 1.00 0.00 C
186
+ ATOM 185 CB ASP A 26 -0.696 -9.558 0.207 1.00 0.00 C
187
+ ATOM 186 O ASP A 26 0.279 -7.075 -0.854 1.00 0.00 O
188
+ ATOM 187 CG ASP A 26 -0.981 -10.442 1.408 1.00 0.00 C
189
+ ATOM 188 OD1 ASP A 26 -1.432 -9.924 2.454 1.00 0.00 O
190
+ ATOM 189 OD2 ASP A 26 -0.752 -11.666 1.310 1.00 0.00 O
191
+ ATOM 190 N ASP A 27 -1.846 -6.759 -1.713 1.00 0.00 N
192
+ ATOM 191 CA ASP A 27 -1.385 -5.684 -2.586 1.00 0.00 C
193
+ ATOM 192 C ASP A 27 -1.071 -4.422 -1.787 1.00 0.00 C
194
+ ATOM 193 CB ASP A 27 -2.431 -5.380 -3.660 1.00 0.00 C
195
+ ATOM 194 O ASP A 27 -1.621 -4.215 -0.704 1.00 0.00 O
196
+ ATOM 195 CG ASP A 27 -2.572 -6.493 -4.684 1.00 0.00 C
197
+ ATOM 196 OD1 ASP A 27 -1.616 -7.277 -4.869 1.00 0.00 O
198
+ ATOM 197 OD2 ASP A 27 -3.649 -6.586 -5.313 1.00 0.00 O
199
+ ATOM 198 N SER A 28 -0.235 -3.592 -2.413 1.00 0.00 N
200
+ ATOM 199 CA SER A 28 0.246 -2.415 -1.698 1.00 0.00 C
201
+ ATOM 200 C SER A 28 -0.104 -1.132 -2.445 1.00 0.00 C
202
+ ATOM 201 CB SER A 28 1.760 -2.496 -1.490 1.00 0.00 C
203
+ ATOM 202 O SER A 28 -0.084 -1.100 -3.676 1.00 0.00 O
204
+ ATOM 203 OG SER A 28 2.095 -3.593 -0.657 1.00 0.00 O
205
+ ATOM 204 N TYR A 29 -0.359 -0.119 -1.693 1.00 0.00 N
206
+ ATOM 205 CA TYR A 29 -0.714 1.198 -2.210 1.00 0.00 C
207
+ ATOM 206 C TYR A 29 -0.126 2.303 -1.340 1.00 0.00 C
208
+ ATOM 207 CB TYR A 29 -2.236 1.351 -2.289 1.00 0.00 C
209
+ ATOM 208 O TYR A 29 -0.129 2.203 -0.111 1.00 0.00 O
210
+ ATOM 209 CG TYR A 29 -2.896 0.379 -3.238 1.00 0.00 C
211
+ ATOM 210 CD1 TYR A 29 -3.246 0.765 -4.529 1.00 0.00 C
212
+ ATOM 211 CD2 TYR A 29 -3.171 -0.925 -2.843 1.00 0.00 C
213
+ ATOM 212 CE1 TYR A 29 -3.855 -0.126 -5.406 1.00 0.00 C
214
+ ATOM 213 CE2 TYR A 29 -3.781 -1.826 -3.711 1.00 0.00 C
215
+ ATOM 214 OH TYR A 29 -4.721 -2.304 -5.852 1.00 0.00 O
216
+ ATOM 215 CZ TYR A 29 -4.118 -1.417 -4.989 1.00 0.00 C
217
+ ATOM 216 N HIS A 30 0.398 3.334 -1.891 1.00 0.00 N
218
+ ATOM 217 CA HIS A 30 0.666 4.532 -1.104 1.00 0.00 C
219
+ ATOM 218 C HIS A 30 -0.631 5.173 -0.619 1.00 0.00 C
220
+ ATOM 219 CB HIS A 30 1.477 5.540 -1.920 1.00 0.00 C
221
+ ATOM 220 O HIS A 30 -1.620 5.214 -1.353 1.00 0.00 O
222
+ ATOM 221 CG HIS A 30 2.897 5.127 -2.144 1.00 0.00 C
223
+ ATOM 222 CD2 HIS A 30 3.919 4.950 -1.274 1.00 0.00 C
224
+ ATOM 223 ND1 HIS A 30 3.402 4.847 -3.395 1.00 0.00 N
225
+ ATOM 224 CE1 HIS A 30 4.677 4.514 -3.284 1.00 0.00 C
226
+ ATOM 225 NE2 HIS A 30 5.015 4.568 -2.007 1.00 0.00 N
227
+ ATOM 226 N THR A 31 -0.680 5.755 0.567 1.00 0.00 N
228
+ ATOM 227 CA THR A 31 -1.857 6.469 1.050 1.00 0.00 C
229
+ ATOM 228 C THR A 31 -2.212 7.623 0.116 1.00 0.00 C
230
+ ATOM 229 CB THR A 31 -1.638 7.006 2.476 1.00 0.00 C
231
+ ATOM 230 O THR A 31 -3.390 7.896 -0.121 1.00 0.00 O
232
+ ATOM 231 CG2 THR A 31 -1.364 5.871 3.456 1.00 0.00 C
233
+ ATOM 232 OG1 THR A 31 -0.521 7.903 2.476 1.00 0.00 O
234
+ ATOM 233 N PHE A 32 -1.222 8.297 -0.539 1.00 0.00 N
235
+ ATOM 234 CA PHE A 32 -1.493 9.472 -1.358 1.00 0.00 C
236
+ ATOM 235 C PHE A 32 -1.790 9.072 -2.798 1.00 0.00 C
237
+ ATOM 236 CB PHE A 32 -0.308 10.442 -1.316 1.00 0.00 C
238
+ ATOM 237 O PHE A 32 -2.178 9.911 -3.614 1.00 0.00 O
239
+ ATOM 238 CG PHE A 32 1.014 9.800 -1.637 1.00 0.00 C
240
+ ATOM 239 CD1 PHE A 32 1.883 9.420 -0.621 1.00 0.00 C
241
+ ATOM 240 CD2 PHE A 32 1.389 9.574 -2.955 1.00 0.00 C
242
+ ATOM 241 CE1 PHE A 32 3.107 8.824 -0.915 1.00 0.00 C
243
+ ATOM 242 CE2 PHE A 32 2.610 8.980 -3.257 1.00 0.00 C
244
+ ATOM 243 CZ PHE A 32 3.469 8.606 -2.235 1.00 0.00 C
245
+ ATOM 244 N CYS A 33 -1.412 7.908 -3.162 1.00 0.00 N
246
+ ATOM 245 CA CYS A 33 -1.715 7.466 -4.519 1.00 0.00 C
247
+ ATOM 246 C CYS A 33 -3.179 7.063 -4.646 1.00 0.00 C
248
+ ATOM 247 CB CYS A 33 -0.817 6.293 -4.913 1.00 0.00 C
249
+ ATOM 248 O CYS A 33 -3.718 7.012 -5.753 1.00 0.00 O
250
+ ATOM 249 SG CYS A 33 0.893 6.766 -5.251 1.00 0.00 S
251
+ ATOM 250 N LEU A 34 -3.836 6.738 -3.588 1.00 0.00 N
252
+ ATOM 251 CA LEU A 34 -5.237 6.332 -3.600 1.00 0.00 C
253
+ ATOM 252 C LEU A 34 -6.139 7.503 -3.975 1.00 0.00 C
254
+ ATOM 253 CB LEU A 34 -5.645 5.776 -2.233 1.00 0.00 C
255
+ ATOM 254 O LEU A 34 -5.759 8.664 -3.805 1.00 0.00 O
256
+ ATOM 255 CG LEU A 34 -5.016 4.442 -1.827 1.00 0.00 C
257
+ ATOM 256 CD1 LEU A 34 -5.183 4.212 -0.329 1.00 0.00 C
258
+ ATOM 257 CD2 LEU A 34 -5.633 3.297 -2.622 1.00 0.00 C
259
+ ATOM 258 N ILE A 35 -7.271 7.268 -4.482 1.00 0.00 N
260
+ ATOM 259 CA ILE A 35 -8.265 8.287 -4.800 1.00 0.00 C
261
+ ATOM 260 C ILE A 35 -9.589 7.946 -4.121 1.00 0.00 C
262
+ ATOM 261 CB ILE A 35 -8.465 8.425 -6.326 1.00 0.00 C
263
+ ATOM 262 O ILE A 35 -10.206 6.923 -4.428 1.00 0.00 O
264
+ ATOM 263 CG1 ILE A 35 -7.131 8.738 -7.013 1.00 0.00 C
265
+ ATOM 264 CG2 ILE A 35 -9.509 9.501 -6.638 1.00 0.00 C
266
+ ATOM 265 CD1 ILE A 35 -7.205 8.744 -8.534 1.00 0.00 C
267
+ ATOM 266 N PRO A 36 -10.153 8.727 -3.345 1.00 0.00 N
268
+ ATOM 267 CA PRO A 36 -9.394 9.861 -2.811 1.00 0.00 C
269
+ ATOM 268 C PRO A 36 -8.211 9.426 -1.948 1.00 0.00 C
270
+ ATOM 269 CB PRO A 36 -10.429 10.618 -1.976 1.00 0.00 C
271
+ ATOM 270 O PRO A 36 -8.198 8.306 -1.432 1.00 0.00 O
272
+ ATOM 271 CG PRO A 36 -11.368 9.563 -1.486 1.00 0.00 C
273
+ ATOM 272 CD PRO A 36 -11.496 8.508 -2.547 1.00 0.00 C
274
+ ATOM 273 N PRO A 37 -7.074 10.379 -1.754 1.00 0.00 N
275
+ ATOM 274 CA PRO A 37 -5.906 10.026 -0.943 1.00 0.00 C
276
+ ATOM 275 C PRO A 37 -6.241 9.881 0.541 1.00 0.00 C
277
+ ATOM 276 CB PRO A 37 -4.948 11.198 -1.173 1.00 0.00 C
278
+ ATOM 277 O PRO A 37 -7.205 10.483 1.021 1.00 0.00 O
279
+ ATOM 278 CG PRO A 37 -5.827 12.333 -1.590 1.00 0.00 C
280
+ ATOM 279 CD PRO A 37 -7.041 11.770 -2.273 1.00 0.00 C
281
+ ATOM 280 N LEU A 38 -5.597 9.034 1.219 1.00 0.00 N
282
+ ATOM 281 CA LEU A 38 -5.678 8.903 2.671 1.00 0.00 C
283
+ ATOM 282 C LEU A 38 -4.643 9.789 3.355 1.00 0.00 C
284
+ ATOM 283 CB LEU A 38 -5.475 7.444 3.089 1.00 0.00 C
285
+ ATOM 284 O LEU A 38 -3.471 9.793 2.971 1.00 0.00 O
286
+ ATOM 285 CG LEU A 38 -6.511 6.441 2.578 1.00 0.00 C
287
+ ATOM 286 CD1 LEU A 38 -6.148 5.029 3.026 1.00 0.00 C
288
+ ATOM 287 CD2 LEU A 38 -7.906 6.820 3.064 1.00 0.00 C
289
+ ATOM 288 N HIS A 39 -5.028 10.613 4.275 1.00 0.00 N
290
+ ATOM 289 CA HIS A 39 -4.135 11.547 4.951 1.00 0.00 C
291
+ ATOM 290 C HIS A 39 -3.390 10.867 6.094 1.00 0.00 C
292
+ ATOM 291 CB HIS A 39 -4.918 12.750 5.478 1.00 0.00 C
293
+ ATOM 292 O HIS A 39 -2.278 11.268 6.441 1.00 0.00 O
294
+ ATOM 293 CG HIS A 39 -5.445 13.642 4.399 1.00 0.00 C
295
+ ATOM 294 CD2 HIS A 39 -6.702 13.818 3.925 1.00 0.00 C
296
+ ATOM 295 ND1 HIS A 39 -4.636 14.486 3.669 1.00 0.00 N
297
+ ATOM 296 CE1 HIS A 39 -5.374 15.144 2.792 1.00 0.00 C
298
+ ATOM 297 NE2 HIS A 39 -6.632 14.758 2.926 1.00 0.00 N
299
+ ATOM 298 N ASP A 40 -3.959 9.836 6.604 1.00 0.00 N
300
+ ATOM 299 CA ASP A 40 -3.360 9.091 7.707 1.00 0.00 C
301
+ ATOM 300 C ASP A 40 -3.334 7.593 7.407 1.00 0.00 C
302
+ ATOM 301 CB ASP A 40 -4.120 9.354 9.009 1.00 0.00 C
303
+ ATOM 302 O ASP A 40 -4.188 7.086 6.679 1.00 0.00 O
304
+ ATOM 303 CG ASP A 40 -4.041 10.802 9.458 1.00 0.00 C
305
+ ATOM 304 OD1 ASP A 40 -2.922 11.349 9.563 1.00 0.00 O
306
+ ATOM 305 OD2 ASP A 40 -5.108 11.401 9.714 1.00 0.00 O
307
+ ATOM 306 N VAL A 41 -2.311 7.018 7.998 1.00 0.00 N
308
+ ATOM 307 CA VAL A 41 -2.239 5.562 7.923 1.00 0.00 C
309
+ ATOM 308 C VAL A 41 -3.287 4.944 8.845 1.00 0.00 C
310
+ ATOM 309 CB VAL A 41 -0.831 5.044 8.295 1.00 0.00 C
311
+ ATOM 310 O VAL A 41 -3.332 5.251 10.039 1.00 0.00 O
312
+ ATOM 311 CG1 VAL A 41 -0.785 3.518 8.236 1.00 0.00 C
313
+ ATOM 312 CG2 VAL A 41 0.222 5.649 7.367 1.00 0.00 C
314
+ ATOM 313 N PRO A 42 -4.241 4.222 8.296 1.00 0.00 N
315
+ ATOM 314 CA PRO A 42 -5.288 3.629 9.132 1.00 0.00 C
316
+ ATOM 315 C PRO A 42 -4.725 2.769 10.261 1.00 0.00 C
317
+ ATOM 316 CB PRO A 42 -6.088 2.777 8.143 1.00 0.00 C
318
+ ATOM 317 O PRO A 42 -3.678 2.137 10.098 1.00 0.00 O
319
+ ATOM 318 CG PRO A 42 -5.660 3.255 6.794 1.00 0.00 C
320
+ ATOM 319 CD PRO A 42 -4.317 3.913 6.925 1.00 0.00 C
321
+ ATOM 320 N LYS A 43 -5.410 2.897 11.461 1.00 0.00 N
322
+ ATOM 321 CA LYS A 43 -5.125 2.024 12.596 1.00 0.00 C
323
+ ATOM 322 C LYS A 43 -5.949 0.741 12.524 1.00 0.00 C
324
+ ATOM 323 CB LYS A 43 -5.402 2.751 13.914 1.00 0.00 C
325
+ ATOM 324 O LYS A 43 -7.139 0.778 12.206 1.00 0.00 O
326
+ ATOM 325 CG LYS A 43 -4.509 3.958 14.154 1.00 0.00 C
327
+ ATOM 326 CD LYS A 43 -4.761 4.577 15.523 1.00 0.00 C
328
+ ATOM 327 CE LYS A 43 -3.904 5.815 15.744 1.00 0.00 C
329
+ ATOM 328 NZ LYS A 43 -4.135 6.415 17.093 1.00 0.00 N
330
+ ATOM 329 N GLY A 44 -5.415 -0.353 12.252 1.00 0.00 N
331
+ ATOM 330 CA GLY A 44 -6.066 -1.649 12.146 1.00 0.00 C
332
+ ATOM 331 C GLY A 44 -6.091 -2.190 10.728 1.00 0.00 C
333
+ ATOM 332 O GLY A 44 -5.238 -1.839 9.910 1.00 0.00 O
334
+ ATOM 333 N ASP A 45 -7.065 -3.105 10.535 1.00 0.00 N
335
+ ATOM 334 CA ASP A 45 -7.158 -3.779 9.244 1.00 0.00 C
336
+ ATOM 335 C ASP A 45 -7.496 -2.790 8.130 1.00 0.00 C
337
+ ATOM 336 CB ASP A 45 -8.207 -4.893 9.295 1.00 0.00 C
338
+ ATOM 337 O ASP A 45 -8.319 -1.892 8.320 1.00 0.00 O
339
+ ATOM 338 CG ASP A 45 -7.789 -6.060 10.171 1.00 0.00 C
340
+ ATOM 339 OD1 ASP A 45 -6.583 -6.200 10.467 1.00 0.00 O
341
+ ATOM 340 OD2 ASP A 45 -8.674 -6.849 10.567 1.00 0.00 O
342
+ ATOM 341 N TRP A 46 -6.817 -2.876 7.121 1.00 0.00 N
343
+ ATOM 342 CA TRP A 46 -7.086 -2.077 5.930 1.00 0.00 C
344
+ ATOM 343 C TRP A 46 -7.246 -2.968 4.703 1.00 0.00 C
345
+ ATOM 344 CB TRP A 46 -5.964 -1.062 5.697 1.00 0.00 C
346
+ ATOM 345 O TRP A 46 -6.483 -3.919 4.514 1.00 0.00 O
347
+ ATOM 346 CG TRP A 46 -6.165 -0.198 4.489 1.00 0.00 C
348
+ ATOM 347 CD1 TRP A 46 -6.909 0.946 4.408 1.00 0.00 C
349
+ ATOM 348 CD2 TRP A 46 -5.617 -0.413 3.184 1.00 0.00 C
350
+ ATOM 349 CE2 TRP A 46 -6.070 0.642 2.362 1.00 0.00 C
351
+ ATOM 350 CE3 TRP A 46 -4.785 -1.396 2.632 1.00 0.00 C
352
+ ATOM 351 NE1 TRP A 46 -6.856 1.456 3.132 1.00 0.00 N
353
+ ATOM 352 CH2 TRP A 46 -4.904 -0.233 0.498 1.00 0.00 C
354
+ ATOM 353 CZ2 TRP A 46 -5.719 0.740 1.014 1.00 0.00 C
355
+ ATOM 354 CZ3 TRP A 46 -4.436 -1.296 1.289 1.00 0.00 C
356
+ ATOM 355 N ARG A 47 -8.195 -2.742 3.914 1.00 0.00 N
357
+ ATOM 356 CA ARG A 47 -8.481 -3.459 2.676 1.00 0.00 C
358
+ ATOM 357 C ARG A 47 -8.459 -2.516 1.478 1.00 0.00 C
359
+ ATOM 358 CB ARG A 47 -9.837 -4.163 2.762 1.00 0.00 C
360
+ ATOM 359 O ARG A 47 -9.023 -1.422 1.532 1.00 0.00 O
361
+ ATOM 360 CG ARG A 47 -9.933 -5.181 3.888 1.00 0.00 C
362
+ ATOM 361 CD ARG A 47 -11.207 -6.008 3.793 1.00 0.00 C
363
+ ATOM 362 NE ARG A 47 -12.331 -5.343 4.447 1.00 0.00 N
364
+ ATOM 363 NH1 ARG A 47 -13.818 -7.081 4.121 1.00 0.00 N
365
+ ATOM 364 NH2 ARG A 47 -14.494 -5.175 5.199 1.00 0.00 N
366
+ ATOM 365 CZ ARG A 47 -13.545 -5.868 4.587 1.00 0.00 C
367
+ ATOM 366 N CYS A 48 -7.850 -2.922 0.427 1.00 0.00 N
368
+ ATOM 367 CA CYS A 48 -7.711 -2.109 -0.777 1.00 0.00 C
369
+ ATOM 368 C CYS A 48 -9.049 -1.965 -1.494 1.00 0.00 C
370
+ ATOM 369 CB CYS A 48 -6.679 -2.723 -1.722 1.00 0.00 C
371
+ ATOM 370 O CYS A 48 -9.990 -2.708 -1.216 1.00 0.00 O
372
+ ATOM 371 SG CYS A 48 -7.272 -4.188 -2.595 1.00 0.00 S
373
+ ATOM 372 N PRO A 49 -9.124 -0.971 -2.543 1.00 0.00 N
374
+ ATOM 373 CA PRO A 49 -10.383 -0.781 -3.267 1.00 0.00 C
375
+ ATOM 374 C PRO A 49 -10.848 -2.046 -3.985 1.00 0.00 C
376
+ ATOM 375 CB PRO A 49 -10.048 0.324 -4.272 1.00 0.00 C
377
+ ATOM 376 O PRO A 49 -12.051 -2.307 -4.064 1.00 0.00 O
378
+ ATOM 377 CG PRO A 49 -8.955 1.113 -3.623 1.00 0.00 C
379
+ ATOM 378 CD PRO A 49 -8.069 0.166 -2.865 1.00 0.00 C
380
+ ATOM 379 N LYS A 50 -9.993 -2.847 -4.484 1.00 0.00 N
381
+ ATOM 380 CA LYS A 50 -10.378 -4.068 -5.186 1.00 0.00 C
382
+ ATOM 381 C LYS A 50 -11.087 -5.040 -4.250 1.00 0.00 C
383
+ ATOM 382 CB LYS A 50 -9.152 -4.738 -5.809 1.00 0.00 C
384
+ ATOM 383 O LYS A 50 -12.123 -5.608 -4.603 1.00 0.00 O
385
+ ATOM 384 CG LYS A 50 -8.590 -4.003 -7.016 1.00 0.00 C
386
+ ATOM 385 CD LYS A 50 -7.426 -4.761 -7.642 1.00 0.00 C
387
+ ATOM 386 CE LYS A 50 -6.824 -3.997 -8.813 1.00 0.00 C
388
+ ATOM 387 NZ LYS A 50 -5.650 -4.712 -9.396 1.00 0.00 N
389
+ ATOM 388 N CYS A 51 -10.496 -5.275 -3.113 1.00 0.00 N
390
+ ATOM 389 CA CYS A 51 -11.087 -6.183 -2.136 1.00 0.00 C
391
+ ATOM 390 C CYS A 51 -12.413 -5.639 -1.619 1.00 0.00 C
392
+ ATOM 391 CB CYS A 51 -10.128 -6.411 -0.968 1.00 0.00 C
393
+ ATOM 392 O CYS A 51 -13.370 -6.395 -1.440 1.00 0.00 O
394
+ ATOM 393 SG CYS A 51 -8.721 -7.468 -1.376 1.00 0.00 S
395
+ ATOM 394 N LEU A 52 -12.414 -4.324 -1.361 1.00 0.00 N
396
+ ATOM 395 CA LEU A 52 -13.658 -3.729 -0.884 1.00 0.00 C
397
+ ATOM 396 C LEU A 52 -14.773 -3.906 -1.909 1.00 0.00 C
398
+ ATOM 397 CB LEU A 52 -13.460 -2.242 -0.578 1.00 0.00 C
399
+ ATOM 398 O LEU A 52 -15.926 -4.149 -1.544 1.00 0.00 O
400
+ ATOM 399 CG LEU A 52 -12.632 -1.909 0.664 1.00 0.00 C
401
+ ATOM 400 CD1 LEU A 52 -12.423 -0.402 0.773 1.00 0.00 C
402
+ ATOM 401 CD2 LEU A 52 -13.307 -2.453 1.918 1.00 0.00 C
403
+ ATOM 402 N ALA A 53 -14.451 -3.764 -3.199 1.00 0.00 N
404
+ ATOM 403 CA ALA A 53 -15.438 -3.861 -4.271 1.00 0.00 C
405
+ ATOM 404 C ALA A 53 -16.015 -5.272 -4.361 1.00 0.00 C
406
+ ATOM 405 CB ALA A 53 -14.816 -3.458 -5.606 1.00 0.00 C
407
+ ATOM 406 O ALA A 53 -17.139 -5.461 -4.829 1.00 0.00 O
408
+ ATOM 407 N GLN A 54 -15.306 -6.224 -3.930 1.00 0.00 N
409
+ ATOM 408 CA GLN A 54 -15.754 -7.611 -4.007 1.00 0.00 C
410
+ ATOM 409 C GLN A 54 -16.705 -7.946 -2.862 1.00 0.00 C
411
+ ATOM 410 CB GLN A 54 -14.557 -8.563 -3.992 1.00 0.00 C
412
+ ATOM 411 O GLN A 54 -17.312 -9.018 -2.846 1.00 0.00 O
413
+ ATOM 412 CG GLN A 54 -13.697 -8.490 -5.247 1.00 0.00 C
414
+ ATOM 413 CD GLN A 54 -12.484 -9.399 -5.180 1.00 0.00 C
415
+ ATOM 414 NE2 GLN A 54 -11.709 -9.433 -6.259 1.00 0.00 N
416
+ ATOM 415 OE1 GLN A 54 -12.243 -10.063 -4.167 1.00 0.00 O
417
+ ATOM 416 N GLU A 55 -17.037 -6.992 -2.109 1.00 0.00 N
418
+ ATOM 417 CA GLU A 55 -18.002 -7.184 -1.032 1.00 0.00 C
419
+ ATOM 418 C GLU A 55 -19.403 -6.758 -1.463 1.00 0.00 C
420
+ ATOM 419 CB GLU A 55 -17.577 -6.404 0.216 1.00 0.00 C
421
+ ATOM 420 O GLU A 55 -20.379 -7.464 -1.201 1.00 0.00 O
422
+ ATOM 421 CG GLU A 55 -16.368 -6.995 0.927 1.00 0.00 C
423
+ ATOM 422 CD GLU A 55 -15.953 -6.208 2.160 1.00 0.00 C
424
+ ATOM 423 OE1 GLU A 55 -16.581 -5.164 2.453 1.00 0.00 O
425
+ ATOM 424 OE2 GLU A 55 -14.994 -6.637 2.838 1.00 0.00 O
426
+ ATOM 425 OXT GLU A 55 -18.909 -5.773 -1.934 1.00 0.00 O
427
+ TER 426 GLU A 55
428
+ END
2mnz/2mnz_protein_processed_fix.pdb ADDED
@@ -0,0 +1,821 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 9.994 -11.629 -1.940 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 10.399 -10.674 -0.871 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 9.238 -9.730 -0.559 1.00 0.00 C
5
+ ATOM 4 O ALA A 1 8.600 -9.197 -1.444 1.00 0.00 O
6
+ ATOM 5 CB ALA A 1 11.604 -9.856 -1.333 1.00 0.00 C
7
+ ATOM 6 HA ALA A 1 10.636 -11.174 -0.074 1.00 0.00 H
8
+ ATOM 7 HB1 ALA A 1 11.862 -9.236 -0.633 1.00 0.00 H
9
+ ATOM 8 HB2 ALA A 1 12.345 -10.452 -1.527 1.00 0.00 H
10
+ ATOM 9 HB3 ALA A 1 11.371 -9.360 -2.133 1.00 0.00 H
11
+ ATOM 10 N VAL A 2 8.959 -9.522 0.695 1.00 0.00 N
12
+ ATOM 11 CA VAL A 2 7.841 -8.618 1.075 1.00 0.00 C
13
+ ATOM 12 C VAL A 2 8.170 -7.182 0.652 1.00 0.00 C
14
+ ATOM 13 O VAL A 2 7.310 -6.443 0.215 1.00 0.00 O
15
+ ATOM 14 CB VAL A 2 7.646 -8.680 2.590 1.00 0.00 C
16
+ ATOM 15 CG1 VAL A 2 7.198 -10.087 2.989 1.00 0.00 C
17
+ ATOM 16 CG2 VAL A 2 8.969 -8.354 3.290 1.00 0.00 C
18
+ ATOM 17 H VAL A 2 9.382 -9.876 1.355 1.00 0.00 H
19
+ ATOM 18 HA VAL A 2 7.026 -8.898 0.629 1.00 0.00 H
20
+ ATOM 19 HB VAL A 2 6.971 -8.036 2.854 1.00 0.00 H
21
+ ATOM 20 HG11 VAL A 2 7.074 -10.127 3.950 1.00 0.00 H
22
+ ATOM 21 HG12 VAL A 2 6.361 -10.298 2.546 1.00 0.00 H
23
+ ATOM 22 HG13 VAL A 2 7.874 -10.730 2.724 1.00 0.00 H
24
+ ATOM 23 HG21 VAL A 2 8.845 -8.393 4.251 1.00 0.00 H
25
+ ATOM 24 HG22 VAL A 2 9.643 -8.999 3.025 1.00 0.00 H
26
+ ATOM 25 HG23 VAL A 2 9.258 -7.463 3.038 1.00 0.00 H
27
+ ATOM 26 N ASP A 3 9.407 -6.783 0.770 1.00 0.00 N
28
+ ATOM 27 CA ASP A 3 9.788 -5.398 0.366 1.00 0.00 C
29
+ ATOM 28 C ASP A 3 9.509 -5.209 -1.127 1.00 0.00 C
30
+ ATOM 29 O ASP A 3 9.182 -4.131 -1.578 1.00 0.00 O
31
+ ATOM 30 CB ASP A 3 11.276 -5.177 0.643 1.00 0.00 C
32
+ ATOM 31 CG ASP A 3 11.522 -5.195 2.154 1.00 0.00 C
33
+ ATOM 32 OD1 ASP A 3 10.553 -5.143 2.892 1.00 0.00 O
34
+ ATOM 33 OD2 ASP A 3 12.675 -5.263 2.545 1.00 0.00 O
35
+ ATOM 34 H ASP A 3 10.051 -7.266 1.072 1.00 0.00 H
36
+ ATOM 35 HA ASP A 3 9.268 -4.756 0.875 1.00 0.00 H
37
+ ATOM 36 HB2 ASP A 3 11.801 -5.869 0.212 1.00 0.00 H
38
+ ATOM 37 HB3 ASP A 3 11.562 -4.329 0.269 1.00 0.00 H
39
+ ATOM 38 N LEU A 4 9.644 -6.256 -1.891 1.00 0.00 N
40
+ ATOM 39 CA LEU A 4 9.398 -6.161 -3.355 1.00 0.00 C
41
+ ATOM 40 C LEU A 4 8.025 -5.550 -3.626 1.00 0.00 C
42
+ ATOM 41 O LEU A 4 7.804 -4.938 -4.651 1.00 0.00 O
43
+ ATOM 42 CB LEU A 4 9.459 -7.563 -3.966 1.00 0.00 C
44
+ ATOM 43 CG LEU A 4 9.187 -7.480 -5.468 1.00 0.00 C
45
+ ATOM 44 CD1 LEU A 4 10.282 -6.648 -6.135 1.00 0.00 C
46
+ ATOM 45 CD2 LEU A 4 9.193 -8.892 -6.058 1.00 0.00 C
47
+ ATOM 46 H LEU A 4 9.874 -7.036 -1.612 1.00 0.00 H
48
+ ATOM 47 HA LEU A 4 10.077 -5.594 -3.754 1.00 0.00 H
49
+ ATOM 48 HB2 LEU A 4 10.331 -7.957 -3.807 1.00 0.00 H
50
+ ATOM 49 HB3 LEU A 4 8.805 -8.140 -3.541 1.00 0.00 H
51
+ ATOM 50 HG LEU A 4 8.324 -7.064 -5.622 1.00 0.00 H
52
+ ATOM 51 HD11 LEU A 4 10.112 -6.594 -7.088 1.00 0.00 H
53
+ ATOM 52 HD12 LEU A 4 10.286 -5.755 -5.756 1.00 0.00 H
54
+ ATOM 53 HD13 LEU A 4 11.144 -7.067 -5.984 1.00 0.00 H
55
+ ATOM 54 HD21 LEU A 4 9.021 -8.845 -7.011 1.00 0.00 H
56
+ ATOM 55 HD22 LEU A 4 10.058 -9.303 -5.906 1.00 0.00 H
57
+ ATOM 56 HD23 LEU A 4 8.504 -9.424 -5.631 1.00 0.00 H
58
+ ATOM 57 N TYR A 5 7.093 -5.727 -2.738 1.00 0.00 N
59
+ ATOM 58 CA TYR A 5 5.737 -5.170 -2.985 1.00 0.00 C
60
+ ATOM 59 C TYR A 5 5.823 -3.653 -3.162 1.00 0.00 C
61
+ ATOM 60 O TYR A 5 6.270 -2.937 -2.288 1.00 0.00 O
62
+ ATOM 61 CB TYR A 5 4.848 -5.481 -1.787 1.00 0.00 C
63
+ ATOM 62 CG TYR A 5 4.120 -6.781 -2.005 1.00 0.00 C
64
+ ATOM 63 CD1 TYR A 5 4.836 -7.978 -2.115 1.00 0.00 C
65
+ ATOM 64 CD2 TYR A 5 2.724 -6.787 -2.090 1.00 0.00 C
66
+ ATOM 65 CE1 TYR A 5 4.154 -9.184 -2.308 1.00 0.00 C
67
+ ATOM 66 CE2 TYR A 5 2.042 -7.993 -2.285 1.00 0.00 C
68
+ ATOM 67 CZ TYR A 5 2.755 -9.192 -2.394 1.00 0.00 C
69
+ ATOM 68 OH TYR A 5 2.083 -10.382 -2.586 1.00 0.00 O
70
+ ATOM 69 H TYR A 5 7.190 -6.150 -1.996 1.00 0.00 H
71
+ ATOM 70 HA TYR A 5 5.367 -5.567 -3.789 1.00 0.00 H
72
+ ATOM 71 HB2 TYR A 5 5.386 -5.535 -0.982 1.00 0.00 H
73
+ ATOM 72 HB3 TYR A 5 4.209 -4.763 -1.654 1.00 0.00 H
74
+ ATOM 73 HD1 TYR A 5 5.764 -7.972 -2.060 1.00 0.00 H
75
+ ATOM 74 HD2 TYR A 5 2.250 -5.990 -2.017 1.00 0.00 H
76
+ ATOM 75 HE1 TYR A 5 4.629 -9.980 -2.379 1.00 0.00 H
77
+ ATOM 76 HE2 TYR A 5 1.114 -7.998 -2.342 1.00 0.00 H
78
+ ATOM 77 HH TYR A 5 1.261 -10.229 -2.671 1.00 0.00 H
79
+ ATOM 78 N VAL A 6 5.386 -3.165 -4.293 1.00 0.00 N
80
+ ATOM 79 CA VAL A 6 5.424 -1.701 -4.553 1.00 0.00 C
81
+ ATOM 80 C VAL A 6 4.027 -1.215 -4.951 1.00 0.00 C
82
+ ATOM 81 O VAL A 6 3.209 -1.978 -5.421 1.00 0.00 O
83
+ ATOM 82 CB VAL A 6 6.413 -1.412 -5.684 1.00 0.00 C
84
+ ATOM 83 CG1 VAL A 6 7.831 -1.743 -5.216 1.00 0.00 C
85
+ ATOM 84 CG2 VAL A 6 6.065 -2.283 -6.893 1.00 0.00 C
86
+ ATOM 85 H VAL A 6 5.062 -3.638 -4.934 1.00 0.00 H
87
+ ATOM 86 HA VAL A 6 5.707 -1.236 -3.751 1.00 0.00 H
88
+ ATOM 87 HB VAL A 6 6.362 -0.475 -5.929 1.00 0.00 H
89
+ ATOM 88 HG11 VAL A 6 8.459 -1.560 -5.932 1.00 0.00 H
90
+ ATOM 89 HG12 VAL A 6 8.053 -1.198 -4.445 1.00 0.00 H
91
+ ATOM 90 HG13 VAL A 6 7.881 -2.681 -4.974 1.00 0.00 H
92
+ ATOM 91 HG21 VAL A 6 6.690 -2.103 -7.613 1.00 0.00 H
93
+ ATOM 92 HG22 VAL A 6 6.120 -3.219 -6.644 1.00 0.00 H
94
+ ATOM 93 HG23 VAL A 6 5.164 -2.080 -7.190 1.00 0.00 H
95
+ ATOM 94 N CYS A 7 3.746 0.047 -4.777 1.00 0.00 N
96
+ ATOM 95 CA CYS A 7 2.404 0.562 -5.150 1.00 0.00 C
97
+ ATOM 96 C CYS A 7 2.084 0.076 -6.560 1.00 0.00 C
98
+ ATOM 97 O CYS A 7 2.750 0.416 -7.518 1.00 0.00 O
99
+ ATOM 98 CB CYS A 7 2.428 2.090 -5.107 1.00 0.00 C
100
+ ATOM 99 SG CYS A 7 1.031 2.770 -6.042 1.00 0.00 S
101
+ ATOM 100 H CYS A 7 4.287 0.632 -4.453 1.00 0.00 H
102
+ ATOM 101 HA CYS A 7 1.726 0.243 -4.534 1.00 0.00 H
103
+ ATOM 102 HB2 CYS A 7 2.388 2.394 -4.187 1.00 0.00 H
104
+ ATOM 103 HB3 CYS A 7 3.263 2.417 -5.478 1.00 0.00 H
105
+ ATOM 104 N LEU A 8 1.083 -0.745 -6.681 1.00 0.00 N
106
+ ATOM 105 CA LEU A 8 0.721 -1.303 -8.009 1.00 0.00 C
107
+ ATOM 106 C LEU A 8 0.539 -0.166 -9.018 1.00 0.00 C
108
+ ATOM 107 O LEU A 8 0.938 -0.270 -10.161 1.00 0.00 O
109
+ ATOM 108 CB LEU A 8 -0.587 -2.080 -7.866 1.00 0.00 C
110
+ ATOM 109 CG LEU A 8 -0.588 -3.282 -8.810 1.00 0.00 C
111
+ ATOM 110 CD1 LEU A 8 0.151 -4.452 -8.147 1.00 0.00 C
112
+ ATOM 111 CD2 LEU A 8 -2.031 -3.695 -9.103 1.00 0.00 C
113
+ ATOM 112 H LEU A 8 0.587 -1.008 -6.030 1.00 0.00 H
114
+ ATOM 113 HA LEU A 8 1.425 -1.890 -8.326 1.00 0.00 H
115
+ ATOM 114 HB2 LEU A 8 -0.696 -2.379 -6.950 1.00 0.00 H
116
+ ATOM 115 HB3 LEU A 8 -1.339 -1.501 -8.067 1.00 0.00 H
117
+ ATOM 116 HG LEU A 8 -0.143 -3.044 -9.638 1.00 0.00 H
118
+ ATOM 117 HD11 LEU A 8 0.151 -5.216 -8.745 1.00 0.00 H
119
+ ATOM 118 HD12 LEU A 8 1.066 -4.191 -7.956 1.00 0.00 H
120
+ ATOM 119 HD13 LEU A 8 -0.296 -4.690 -7.320 1.00 0.00 H
121
+ ATOM 120 HD21 LEU A 8 -2.034 -4.458 -9.702 1.00 0.00 H
122
+ ATOM 121 HD22 LEU A 8 -2.474 -3.934 -8.274 1.00 0.00 H
123
+ ATOM 122 HD23 LEU A 8 -2.501 -2.956 -9.519 1.00 0.00 H
124
+ ATOM 123 N LEU A 9 -0.065 0.912 -8.610 1.00 0.00 N
125
+ ATOM 124 CA LEU A 9 -0.278 2.047 -9.546 1.00 0.00 C
126
+ ATOM 125 C LEU A 9 1.063 2.708 -9.906 1.00 0.00 C
127
+ ATOM 126 O LEU A 9 1.320 3.009 -11.054 1.00 0.00 O
128
+ ATOM 127 CB LEU A 9 -1.232 3.050 -8.891 1.00 0.00 C
129
+ ATOM 128 CG LEU A 9 -2.508 2.318 -8.455 1.00 0.00 C
130
+ ATOM 129 CD1 LEU A 9 -3.533 3.314 -7.913 1.00 0.00 C
131
+ ATOM 130 CD2 LEU A 9 -3.108 1.593 -9.654 1.00 0.00 C
132
+ ATOM 131 H LEU A 9 -0.366 1.034 -7.814 1.00 0.00 H
133
+ ATOM 132 HA LEU A 9 -0.672 1.725 -10.372 1.00 0.00 H
134
+ ATOM 133 HB2 LEU A 9 -0.806 3.466 -8.125 1.00 0.00 H
135
+ ATOM 134 HB3 LEU A 9 -1.450 3.760 -9.514 1.00 0.00 H
136
+ ATOM 135 HG LEU A 9 -2.282 1.682 -7.758 1.00 0.00 H
137
+ ATOM 136 HD11 LEU A 9 -4.334 2.839 -7.641 1.00 0.00 H
138
+ ATOM 137 HD12 LEU A 9 -3.159 3.780 -7.149 1.00 0.00 H
139
+ ATOM 138 HD13 LEU A 9 -3.758 3.956 -8.604 1.00 0.00 H
140
+ ATOM 139 HD21 LEU A 9 -3.915 1.129 -9.381 1.00 0.00 H
141
+ ATOM 140 HD22 LEU A 9 -3.324 2.237 -10.347 1.00 0.00 H
142
+ ATOM 141 HD23 LEU A 9 -2.467 0.951 -9.998 1.00 0.00 H
143
+ ATOM 142 N CYS A 10 1.930 2.931 -8.948 1.00 0.00 N
144
+ ATOM 143 CA CYS A 10 3.248 3.562 -9.277 1.00 0.00 C
145
+ ATOM 144 C CYS A 10 4.280 2.474 -9.557 1.00 0.00 C
146
+ ATOM 145 O CYS A 10 4.710 2.276 -10.676 1.00 0.00 O
147
+ ATOM 146 CB CYS A 10 3.767 4.399 -8.104 1.00 0.00 C
148
+ ATOM 147 SG CYS A 10 2.591 5.702 -7.693 1.00 0.00 S
149
+ ATOM 148 H CYS A 10 1.808 2.742 -8.118 1.00 0.00 H
150
+ ATOM 149 HA CYS A 10 3.117 4.130 -10.052 1.00 0.00 H
151
+ ATOM 150 HB2 CYS A 10 3.911 3.830 -7.332 1.00 0.00 H
152
+ ATOM 151 HB3 CYS A 10 4.625 4.790 -8.332 1.00 0.00 H
153
+ ATOM 152 N GLY A 11 4.693 1.788 -8.530 1.00 0.00 N
154
+ ATOM 153 CA GLY A 11 5.715 0.723 -8.694 1.00 0.00 C
155
+ ATOM 154 C GLY A 11 7.020 1.179 -8.037 1.00 0.00 C
156
+ ATOM 155 O GLY A 11 8.030 0.509 -8.106 1.00 0.00 O
157
+ ATOM 156 H GLY A 11 4.414 1.901 -7.725 1.00 0.00 H
158
+ ATOM 157 HA2 GLY A 11 5.407 -0.103 -8.289 1.00 0.00 H
159
+ ATOM 158 HA3 GLY A 11 5.860 0.540 -9.635 1.00 0.00 H
160
+ ATOM 159 N SER A 12 7.002 2.318 -7.392 1.00 0.00 N
161
+ ATOM 160 CA SER A 12 8.239 2.816 -6.722 1.00 0.00 C
162
+ ATOM 161 C SER A 12 8.336 2.201 -5.325 1.00 0.00 C
163
+ ATOM 162 O SER A 12 9.411 1.946 -4.824 1.00 0.00 O
164
+ ATOM 163 CB SER A 12 8.179 4.340 -6.608 1.00 0.00 C
165
+ ATOM 164 OG SER A 12 8.002 4.901 -7.902 1.00 0.00 O
166
+ ATOM 165 H SER A 12 6.314 2.828 -7.315 1.00 0.00 H
167
+ ATOM 166 HA SER A 12 9.017 2.564 -7.243 1.00 0.00 H
168
+ ATOM 167 HB2 SER A 12 7.448 4.603 -6.027 1.00 0.00 H
169
+ ATOM 168 HB3 SER A 12 8.995 4.677 -6.207 1.00 0.00 H
170
+ ATOM 169 HG SER A 12 7.967 5.738 -7.842 1.00 0.00 H
171
+ ATOM 170 N GLY A 13 7.217 1.946 -4.705 1.00 0.00 N
172
+ ATOM 171 CA GLY A 13 7.223 1.330 -3.346 1.00 0.00 C
173
+ ATOM 172 C GLY A 13 8.294 1.967 -2.457 1.00 0.00 C
174
+ ATOM 173 O GLY A 13 8.686 1.403 -1.455 1.00 0.00 O
175
+ ATOM 174 H GLY A 13 6.436 2.109 -5.025 1.00 0.00 H
176
+ ATOM 175 HA2 GLY A 13 6.351 1.438 -2.935 1.00 0.00 H
177
+ ATOM 176 HA3 GLY A 13 7.385 0.377 -3.421 1.00 0.00 H
178
+ ATOM 177 N ASN A 14 8.779 3.126 -2.802 1.00 0.00 N
179
+ ATOM 178 CA ASN A 14 9.823 3.756 -1.958 1.00 0.00 C
180
+ ATOM 179 C ASN A 14 9.179 4.584 -0.848 1.00 0.00 C
181
+ ATOM 180 O ASN A 14 9.784 4.822 0.178 1.00 0.00 O
182
+ ATOM 181 CB ASN A 14 10.687 4.661 -2.832 1.00 0.00 C
183
+ ATOM 182 CG ASN A 14 10.000 6.018 -2.996 1.00 0.00 C
184
+ ATOM 183 OD1 ASN A 14 10.255 6.936 -2.240 1.00 0.00 O
185
+ ATOM 184 ND2 ASN A 14 9.133 6.185 -3.955 1.00 0.00 N
186
+ ATOM 185 H ASN A 14 8.543 3.575 -3.496 1.00 0.00 H
187
+ ATOM 186 HA ASN A 14 10.369 3.063 -1.553 1.00 0.00 H
188
+ ATOM 187 HB2 ASN A 14 11.562 4.777 -2.429 1.00 0.00 H
189
+ ATOM 188 HB3 ASN A 14 10.827 4.251 -3.700 1.00 0.00 H
190
+ ATOM 189 HD21 ASN A 14 8.741 6.944 -4.053 1.00 0.00 H
191
+ ATOM 190 HD22 ASN A 14 8.953 5.536 -4.490 1.00 0.00 H
192
+ ATOM 191 N ASP A 15 7.962 5.017 -1.033 1.00 0.00 N
193
+ ATOM 192 CA ASP A 15 7.295 5.829 0.029 1.00 0.00 C
194
+ ATOM 193 C ASP A 15 6.944 4.922 1.208 1.00 0.00 C
195
+ ATOM 194 O ASP A 15 5.829 4.457 1.343 1.00 0.00 O
196
+ ATOM 195 CB ASP A 15 6.022 6.462 -0.529 1.00 0.00 C
197
+ ATOM 196 CG ASP A 15 6.385 7.445 -1.643 1.00 0.00 C
198
+ ATOM 197 OD1 ASP A 15 7.549 7.798 -1.739 1.00 0.00 O
199
+ ATOM 198 OD2 ASP A 15 5.494 7.827 -2.383 1.00 0.00 O
200
+ ATOM 199 H ASP A 15 7.490 4.873 -1.737 1.00 0.00 H
201
+ ATOM 200 HA ASP A 15 7.895 6.531 0.325 1.00 0.00 H
202
+ ATOM 201 HB2 ASP A 15 5.431 5.774 -0.872 1.00 0.00 H
203
+ ATOM 202 HB3 ASP A 15 5.542 6.922 0.177 1.00 0.00 H
204
+ ATOM 203 N GLU A 16 7.899 4.661 2.054 1.00 0.00 N
205
+ ATOM 204 CA GLU A 16 7.656 3.778 3.227 1.00 0.00 C
206
+ ATOM 205 C GLU A 16 6.464 4.272 4.055 1.00 0.00 C
207
+ ATOM 206 O GLU A 16 5.703 3.492 4.592 1.00 0.00 O
208
+ ATOM 207 CB GLU A 16 8.913 3.774 4.103 1.00 0.00 C
209
+ ATOM 208 CG GLU A 16 9.095 5.147 4.749 1.00 0.00 C
210
+ ATOM 209 CD GLU A 16 10.432 5.187 5.492 1.00 0.00 C
211
+ ATOM 210 OE1 GLU A 16 11.081 4.156 5.558 1.00 0.00 O
212
+ ATOM 211 OE2 GLU A 16 10.781 6.247 5.984 1.00 0.00 O
213
+ ATOM 212 H GLU A 16 8.700 4.969 1.993 1.00 0.00 H
214
+ ATOM 213 HA GLU A 16 7.454 2.884 2.910 1.00 0.00 H
215
+ ATOM 214 HB2 GLU A 16 8.838 3.092 4.788 1.00 0.00 H
216
+ ATOM 215 HB3 GLU A 16 9.691 3.553 3.567 1.00 0.00 H
217
+ ATOM 216 HG2 GLU A 16 9.070 5.840 4.071 1.00 0.00 H
218
+ ATOM 217 HG3 GLU A 16 8.366 5.325 5.364 1.00 0.00 H
219
+ ATOM 218 N ASP A 17 6.315 5.556 4.196 1.00 0.00 N
220
+ ATOM 219 CA ASP A 17 5.199 6.091 5.028 1.00 0.00 C
221
+ ATOM 220 C ASP A 17 3.848 6.040 4.301 1.00 0.00 C
222
+ ATOM 221 O ASP A 17 2.813 6.031 4.938 1.00 0.00 O
223
+ ATOM 222 CB ASP A 17 5.505 7.544 5.401 1.00 0.00 C
224
+ ATOM 223 CG ASP A 17 6.724 7.590 6.324 1.00 0.00 C
225
+ ATOM 224 OD1 ASP A 17 7.041 6.566 6.906 1.00 0.00 O
226
+ ATOM 225 OD2 ASP A 17 7.317 8.651 6.438 1.00 0.00 O
227
+ ATOM 226 H ASP A 17 6.823 6.151 3.838 1.00 0.00 H
228
+ ATOM 227 HA ASP A 17 5.131 5.532 5.818 1.00 0.00 H
229
+ ATOM 228 HB2 ASP A 17 5.674 8.065 4.600 1.00 0.00 H
230
+ ATOM 229 HB3 ASP A 17 4.739 7.943 5.842 1.00 0.00 H
231
+ ATOM 230 N ARG A 18 3.827 6.052 2.991 1.00 0.00 N
232
+ ATOM 231 CA ARG A 18 2.508 6.058 2.282 1.00 0.00 C
233
+ ATOM 232 C ARG A 18 2.185 4.708 1.635 1.00 0.00 C
234
+ ATOM 233 O ARG A 18 1.060 4.471 1.243 1.00 0.00 O
235
+ ATOM 234 CB ARG A 18 2.526 7.145 1.210 1.00 0.00 C
236
+ ATOM 235 CG ARG A 18 2.905 8.484 1.852 1.00 0.00 C
237
+ ATOM 236 CD ARG A 18 1.841 8.877 2.877 1.00 0.00 C
238
+ ATOM 237 NE ARG A 18 1.885 10.350 3.098 1.00 0.00 N
239
+ ATOM 238 CZ ARG A 18 1.161 10.891 4.038 1.00 0.00 C
240
+ ATOM 239 NH1 ARG A 18 0.397 10.141 4.785 1.00 0.00 N
241
+ ATOM 240 NH2 ARG A 18 1.198 12.181 4.232 1.00 0.00 N
242
+ ATOM 241 H ARG A 18 4.521 6.057 2.484 1.00 0.00 H
243
+ ATOM 242 HA ARG A 18 1.818 6.234 2.941 1.00 0.00 H
244
+ ATOM 243 HB2 ARG A 18 3.162 6.917 0.514 1.00 0.00 H
245
+ ATOM 244 HB3 ARG A 18 1.655 7.212 0.788 1.00 0.00 H
246
+ ATOM 245 HG2 ARG A 18 3.772 8.414 2.282 1.00 0.00 H
247
+ ATOM 246 HG3 ARG A 18 2.981 9.170 1.171 1.00 0.00 H
248
+ ATOM 247 HD2 ARG A 18 0.962 8.613 2.563 1.00 0.00 H
249
+ ATOM 248 HD3 ARG A 18 1.995 8.410 3.713 1.00 0.00 H
250
+ ATOM 249 HE ARG A 18 2.388 10.844 2.605 1.00 0.00 H
251
+ ATOM 250 HH11 ARG A 18 0.372 9.291 4.657 1.00 0.00 H
252
+ ATOM 251 HH12 ARG A 18 -0.081 10.497 5.405 1.00 0.00 H
253
+ ATOM 252 HH21 ARG A 18 1.700 12.676 3.740 1.00 0.00 H
254
+ ATOM 253 HH22 ARG A 18 0.720 12.536 4.852 1.00 0.00 H
255
+ ATOM 254 N LEU A 19 3.130 3.825 1.498 1.00 0.00 N
256
+ ATOM 255 CA LEU A 19 2.806 2.528 0.853 1.00 0.00 C
257
+ ATOM 256 C LEU A 19 2.023 1.642 1.825 1.00 0.00 C
258
+ ATOM 257 O LEU A 19 2.552 1.189 2.823 1.00 0.00 O
259
+ ATOM 258 CB LEU A 19 4.111 1.836 0.481 1.00 0.00 C
260
+ ATOM 259 CG LEU A 19 3.872 0.801 -0.615 1.00 0.00 C
261
+ ATOM 260 CD1 LEU A 19 2.783 -0.184 -0.189 1.00 0.00 C
262
+ ATOM 261 CD2 LEU A 19 3.441 1.501 -1.902 1.00 0.00 C
263
+ ATOM 262 H LEU A 19 3.946 3.924 1.752 1.00 0.00 H
264
+ ATOM 263 HA LEU A 19 2.266 2.681 0.062 1.00 0.00 H
265
+ ATOM 264 HB2 LEU A 19 4.757 2.493 0.178 1.00 0.00 H
266
+ ATOM 265 HB3 LEU A 19 4.490 1.405 1.263 1.00 0.00 H
267
+ ATOM 266 HG LEU A 19 4.698 0.316 -0.767 1.00 0.00 H
268
+ ATOM 267 HD11 LEU A 19 2.642 -0.835 -0.894 1.00 0.00 H
269
+ ATOM 268 HD12 LEU A 19 3.058 -0.640 0.622 1.00 0.00 H
270
+ ATOM 269 HD13 LEU A 19 1.957 0.298 -0.024 1.00 0.00 H
271
+ ATOM 270 HD21 LEU A 19 3.290 0.840 -2.595 1.00 0.00 H
272
+ ATOM 271 HD22 LEU A 19 2.621 1.995 -1.743 1.00 0.00 H
273
+ ATOM 272 HD23 LEU A 19 4.137 2.114 -2.186 1.00 0.00 H
274
+ ATOM 273 N LEU A 20 0.774 1.368 1.529 1.00 0.00 N
275
+ ATOM 274 CA LEU A 20 -0.026 0.486 2.426 1.00 0.00 C
276
+ ATOM 275 C LEU A 20 -0.288 -0.832 1.695 1.00 0.00 C
277
+ ATOM 276 O LEU A 20 -0.699 -0.844 0.551 1.00 0.00 O
278
+ ATOM 277 CB LEU A 20 -1.372 1.130 2.799 1.00 0.00 C
279
+ ATOM 278 CG LEU A 20 -1.560 2.469 2.088 1.00 0.00 C
280
+ ATOM 279 CD1 LEU A 20 -2.067 2.206 0.677 1.00 0.00 C
281
+ ATOM 280 CD2 LEU A 20 -2.595 3.297 2.843 1.00 0.00 C
282
+ ATOM 281 H LEU A 20 0.357 1.662 0.837 1.00 0.00 H
283
+ ATOM 282 HA LEU A 20 0.473 0.340 3.245 1.00 0.00 H
284
+ ATOM 283 HB2 LEU A 20 -2.097 0.531 2.562 1.00 0.00 H
285
+ ATOM 284 HB3 LEU A 20 -1.415 1.262 3.759 1.00 0.00 H
286
+ ATOM 285 HG LEU A 20 -0.718 2.949 2.056 1.00 0.00 H
287
+ ATOM 286 HD11 LEU A 20 -2.190 3.050 0.215 1.00 0.00 H
288
+ ATOM 287 HD12 LEU A 20 -1.421 1.666 0.196 1.00 0.00 H
289
+ ATOM 288 HD13 LEU A 20 -2.914 1.734 0.720 1.00 0.00 H
290
+ ATOM 289 HD21 LEU A 20 -2.718 4.149 2.395 1.00 0.00 H
291
+ ATOM 290 HD22 LEU A 20 -3.439 2.819 2.865 1.00 0.00 H
292
+ ATOM 291 HD23 LEU A 20 -2.288 3.451 3.750 1.00 0.00 H
293
+ ATOM 292 N LEU A 21 -0.052 -1.942 2.335 1.00 0.00 N
294
+ ATOM 293 CA LEU A 21 -0.287 -3.249 1.661 1.00 0.00 C
295
+ ATOM 294 C LEU A 21 -1.672 -3.780 2.032 1.00 0.00 C
296
+ ATOM 295 O LEU A 21 -2.006 -3.916 3.195 1.00 0.00 O
297
+ ATOM 296 CB LEU A 21 0.793 -4.240 2.099 1.00 0.00 C
298
+ ATOM 297 CG LEU A 21 0.415 -5.659 1.668 1.00 0.00 C
299
+ ATOM 298 CD1 LEU A 21 1.647 -6.363 1.093 1.00 0.00 C
300
+ ATOM 299 CD2 LEU A 21 -0.089 -6.436 2.887 1.00 0.00 C
301
+ ATOM 300 H LEU A 21 0.239 -1.992 3.143 1.00 0.00 H
302
+ ATOM 301 HA LEU A 21 -0.246 -3.134 0.699 1.00 0.00 H
303
+ ATOM 302 HB2 LEU A 21 1.646 -3.993 1.709 1.00 0.00 H
304
+ ATOM 303 HB3 LEU A 21 0.901 -4.206 3.062 1.00 0.00 H
305
+ ATOM 304 HG LEU A 21 -0.280 -5.620 0.992 1.00 0.00 H
306
+ ATOM 305 HD11 LEU A 21 1.408 -7.262 0.820 1.00 0.00 H
307
+ ATOM 306 HD12 LEU A 21 1.974 -5.868 0.325 1.00 0.00 H
308
+ ATOM 307 HD13 LEU A 21 2.341 -6.405 1.769 1.00 0.00 H
309
+ ATOM 308 HD21 LEU A 21 -0.330 -7.337 2.620 1.00 0.00 H
310
+ ATOM 309 HD22 LEU A 21 0.610 -6.475 3.558 1.00 0.00 H
311
+ ATOM 310 HD23 LEU A 21 -0.867 -5.990 3.257 1.00 0.00 H
312
+ ATOM 311 N CYS A 22 -2.474 -4.079 1.036 1.00 0.00 N
313
+ ATOM 312 CA CYS A 22 -3.846 -4.607 1.294 1.00 0.00 C
314
+ ATOM 313 C CYS A 22 -3.757 -6.112 1.499 1.00 0.00 C
315
+ ATOM 314 O CYS A 22 -3.283 -6.841 0.643 1.00 0.00 O
316
+ ATOM 315 CB CYS A 22 -4.725 -4.299 0.080 1.00 0.00 C
317
+ ATOM 316 SG CYS A 22 -6.147 -5.441 -0.005 1.00 0.00 S
318
+ ATOM 317 H CYS A 22 -2.270 -3.994 0.205 1.00 0.00 H
319
+ ATOM 318 HA CYS A 22 -4.229 -4.195 2.084 1.00 0.00 H
320
+ ATOM 319 HB2 CYS A 22 -5.043 -3.384 0.131 1.00 0.00 H
321
+ ATOM 320 HB3 CYS A 22 -4.199 -4.372 -0.731 1.00 0.00 H
322
+ ATOM 321 N ASP A 23 -4.201 -6.574 2.632 1.00 0.00 N
323
+ ATOM 322 CA ASP A 23 -4.146 -8.030 2.930 1.00 0.00 C
324
+ ATOM 323 C ASP A 23 -5.306 -8.751 2.246 1.00 0.00 C
325
+ ATOM 324 O ASP A 23 -5.186 -9.887 1.833 1.00 0.00 O
326
+ ATOM 325 CB ASP A 23 -4.240 -8.234 4.441 1.00 0.00 C
327
+ ATOM 326 CG ASP A 23 -2.996 -7.655 5.117 1.00 0.00 C
328
+ ATOM 327 OD1 ASP A 23 -2.016 -7.437 4.424 1.00 0.00 O
329
+ ATOM 328 OD2 ASP A 23 -3.043 -7.439 6.317 1.00 0.00 O
330
+ ATOM 329 H ASP A 23 -4.541 -6.089 3.256 1.00 0.00 H
331
+ ATOM 330 HA ASP A 23 -3.310 -8.394 2.598 1.00 0.00 H
332
+ ATOM 331 HB2 ASP A 23 -5.037 -7.802 4.786 1.00 0.00 H
333
+ ATOM 332 HB3 ASP A 23 -4.319 -9.179 4.644 1.00 0.00 H
334
+ ATOM 333 N GLY A 24 -6.434 -8.109 2.144 1.00 0.00 N
335
+ ATOM 334 CA GLY A 24 -7.605 -8.766 1.512 1.00 0.00 C
336
+ ATOM 335 C GLY A 24 -7.270 -9.177 0.080 1.00 0.00 C
337
+ ATOM 336 O GLY A 24 -7.338 -10.338 -0.274 1.00 0.00 O
338
+ ATOM 337 H GLY A 24 -6.569 -7.306 2.420 1.00 0.00 H
339
+ ATOM 338 HA2 GLY A 24 -7.864 -9.546 2.027 1.00 0.00 H
340
+ ATOM 339 HA3 GLY A 24 -8.363 -8.161 1.513 1.00 0.00 H
341
+ ATOM 340 N CYS A 25 -6.921 -8.239 -0.754 1.00 0.00 N
342
+ ATOM 341 CA CYS A 25 -6.597 -8.590 -2.163 1.00 0.00 C
343
+ ATOM 342 C CYS A 25 -5.467 -7.703 -2.703 1.00 0.00 C
344
+ ATOM 343 O CYS A 25 -4.381 -8.172 -2.975 1.00 0.00 O
345
+ ATOM 344 CB CYS A 25 -7.852 -8.445 -3.026 1.00 0.00 C
346
+ ATOM 345 SG CYS A 25 -8.389 -6.718 -3.103 1.00 0.00 S
347
+ ATOM 346 H CYS A 25 -6.858 -7.404 -0.559 1.00 0.00 H
348
+ ATOM 347 HA CYS A 25 -6.291 -9.510 -2.195 1.00 0.00 H
349
+ ATOM 348 HB2 CYS A 25 -7.673 -8.772 -3.921 1.00 0.00 H
350
+ ATOM 349 HB3 CYS A 25 -8.565 -8.993 -2.662 1.00 0.00 H
351
+ ATOM 350 N ASP A 26 -5.717 -6.432 -2.872 1.00 0.00 N
352
+ ATOM 351 CA ASP A 26 -4.670 -5.523 -3.407 1.00 0.00 C
353
+ ATOM 352 C ASP A 26 -3.324 -5.862 -2.771 1.00 0.00 C
354
+ ATOM 353 O ASP A 26 -3.244 -6.319 -1.648 1.00 0.00 O
355
+ ATOM 354 CB ASP A 26 -5.048 -4.070 -3.096 1.00 0.00 C
356
+ ATOM 355 CG ASP A 26 -5.740 -3.426 -4.303 1.00 0.00 C
357
+ ATOM 356 OD1 ASP A 26 -6.048 -4.138 -5.246 1.00 0.00 O
358
+ ATOM 357 OD2 ASP A 26 -5.963 -2.227 -4.257 1.00 0.00 O
359
+ ATOM 358 H ASP A 26 -6.469 -6.055 -2.693 1.00 0.00 H
360
+ ATOM 359 HA ASP A 26 -4.602 -5.635 -4.368 1.00 0.00 H
361
+ ATOM 360 HB2 ASP A 26 -5.636 -4.041 -2.325 1.00 0.00 H
362
+ ATOM 361 HB3 ASP A 26 -4.253 -3.565 -2.865 1.00 0.00 H
363
+ ATOM 362 N ASP A 27 -2.271 -5.671 -3.505 1.00 0.00 N
364
+ ATOM 363 CA ASP A 27 -0.920 -5.997 -2.988 1.00 0.00 C
365
+ ATOM 364 C ASP A 27 -0.285 -4.773 -2.334 1.00 0.00 C
366
+ ATOM 365 O ASP A 27 -0.061 -4.741 -1.142 1.00 0.00 O
367
+ ATOM 366 CB ASP A 27 -0.056 -6.440 -4.170 1.00 0.00 C
368
+ ATOM 367 CG ASP A 27 -0.366 -7.897 -4.520 1.00 0.00 C
369
+ ATOM 368 OD1 ASP A 27 -1.139 -8.507 -3.800 1.00 0.00 O
370
+ ATOM 369 OD2 ASP A 27 0.175 -8.377 -5.502 1.00 0.00 O
371
+ ATOM 370 H ASP A 27 -2.286 -5.356 -4.305 1.00 0.00 H
372
+ ATOM 371 HA ASP A 27 -0.987 -6.700 -2.323 1.00 0.00 H
373
+ ATOM 372 HB2 ASP A 27 -0.226 -5.871 -4.937 1.00 0.00 H
374
+ ATOM 373 HB3 ASP A 27 0.884 -6.344 -3.949 1.00 0.00 H
375
+ ATOM 374 N SER A 28 0.011 -3.767 -3.103 1.00 0.00 N
376
+ ATOM 375 CA SER A 28 0.643 -2.555 -2.521 1.00 0.00 C
377
+ ATOM 376 C SER A 28 0.047 -1.300 -3.154 1.00 0.00 C
378
+ ATOM 377 O SER A 28 -0.174 -1.239 -4.348 1.00 0.00 O
379
+ ATOM 378 CB SER A 28 2.142 -2.611 -2.783 1.00 0.00 C
380
+ ATOM 379 OG SER A 28 2.387 -3.451 -3.904 1.00 0.00 O
381
+ ATOM 380 H SER A 28 -0.131 -3.737 -3.951 1.00 0.00 H
382
+ ATOM 381 HA SER A 28 0.478 -2.525 -1.566 1.00 0.00 H
383
+ ATOM 382 HB2 SER A 28 2.486 -1.720 -2.951 1.00 0.00 H
384
+ ATOM 383 HB3 SER A 28 2.606 -2.951 -2.002 1.00 0.00 H
385
+ ATOM 384 HG SER A 28 2.553 -2.978 -4.578 1.00 0.00 H
386
+ ATOM 385 N TYR A 29 -0.227 -0.303 -2.360 1.00 0.00 N
387
+ ATOM 386 CA TYR A 29 -0.823 0.942 -2.907 1.00 0.00 C
388
+ ATOM 387 C TYR A 29 -0.403 2.137 -2.051 1.00 0.00 C
389
+ ATOM 388 O TYR A 29 0.050 1.988 -0.935 1.00 0.00 O
390
+ ATOM 389 CB TYR A 29 -2.353 0.824 -2.877 1.00 0.00 C
391
+ ATOM 390 CG TYR A 29 -2.829 -0.072 -3.997 1.00 0.00 C
392
+ ATOM 391 CD1 TYR A 29 -2.752 -1.466 -3.871 1.00 0.00 C
393
+ ATOM 392 CD2 TYR A 29 -3.347 0.496 -5.165 1.00 0.00 C
394
+ ATOM 393 CE1 TYR A 29 -3.189 -2.289 -4.918 1.00 0.00 C
395
+ ATOM 394 CE2 TYR A 29 -3.783 -0.325 -6.210 1.00 0.00 C
396
+ ATOM 395 CZ TYR A 29 -3.702 -1.717 -6.088 1.00 0.00 C
397
+ ATOM 396 OH TYR A 29 -4.133 -2.527 -7.120 1.00 0.00 O
398
+ ATOM 397 H TYR A 29 -0.088 -0.300 -1.511 1.00 0.00 H
399
+ ATOM 398 HA TYR A 29 -0.515 1.071 -3.818 1.00 0.00 H
400
+ ATOM 399 HB2 TYR A 29 -2.640 0.465 -2.023 1.00 0.00 H
401
+ ATOM 400 HB3 TYR A 29 -2.754 1.703 -2.964 1.00 0.00 H
402
+ ATOM 401 HD1 TYR A 29 -2.411 -1.845 -3.093 1.00 0.00 H
403
+ ATOM 402 HD2 TYR A 29 -3.402 1.421 -5.247 1.00 0.00 H
404
+ ATOM 403 HE1 TYR A 29 -3.138 -3.214 -4.835 1.00 0.00 H
405
+ ATOM 404 HE2 TYR A 29 -4.127 0.054 -6.986 1.00 0.00 H
406
+ ATOM 405 HH TYR A 29 -4.597 -3.154 -6.809 1.00 0.00 H
407
+ ATOM 406 N HIS A 30 -0.575 3.323 -2.560 1.00 0.00 N
408
+ ATOM 407 CA HIS A 30 -0.229 4.536 -1.777 1.00 0.00 C
409
+ ATOM 408 C HIS A 30 -1.526 5.163 -1.271 1.00 0.00 C
410
+ ATOM 409 O HIS A 30 -2.549 5.094 -1.922 1.00 0.00 O
411
+ ATOM 410 CB HIS A 30 0.464 5.559 -2.672 1.00 0.00 C
412
+ ATOM 411 CG HIS A 30 1.912 5.220 -2.839 1.00 0.00 C
413
+ ATOM 412 ND1 HIS A 30 2.491 5.049 -4.090 1.00 0.00 N
414
+ ATOM 413 CD2 HIS A 30 2.912 5.004 -1.926 1.00 0.00 C
415
+ ATOM 414 CE1 HIS A 30 3.785 4.736 -3.890 1.00 0.00 C
416
+ ATOM 415 NE2 HIS A 30 4.088 4.700 -2.594 1.00 0.00 N
417
+ ATOM 416 H HIS A 30 -0.886 3.476 -3.347 1.00 0.00 H
418
+ ATOM 417 HA HIS A 30 0.358 4.289 -1.045 1.00 0.00 H
419
+ ATOM 418 HB2 HIS A 30 0.031 5.583 -3.539 1.00 0.00 H
420
+ ATOM 419 HB3 HIS A 30 0.377 6.445 -2.286 1.00 0.00 H
421
+ ATOM 420 HD2 HIS A 30 2.816 5.054 -1.002 1.00 0.00 H
422
+ ATOM 421 HE1 HIS A 30 4.393 4.566 -4.573 1.00 0.00 H
423
+ ATOM 422 HE2 HIS A 30 4.854 4.525 -2.244 1.00 0.00 H
424
+ ATOM 423 N THR A 31 -1.498 5.781 -0.129 1.00 0.00 N
425
+ ATOM 424 CA THR A 31 -2.742 6.411 0.382 1.00 0.00 C
426
+ ATOM 425 C THR A 31 -3.281 7.391 -0.667 1.00 0.00 C
427
+ ATOM 426 O THR A 31 -4.475 7.567 -0.809 1.00 0.00 O
428
+ ATOM 427 CB THR A 31 -2.443 7.161 1.689 1.00 0.00 C
429
+ ATOM 428 OG1 THR A 31 -3.665 7.538 2.300 1.00 0.00 O
430
+ ATOM 429 CG2 THR A 31 -1.611 8.414 1.403 1.00 0.00 C
431
+ ATOM 430 H THR A 31 -0.806 5.862 0.375 1.00 0.00 H
432
+ ATOM 431 HA THR A 31 -3.406 5.725 0.555 1.00 0.00 H
433
+ ATOM 432 HB THR A 31 -1.942 6.579 2.281 1.00 0.00 H
434
+ ATOM 433 HG1 THR A 31 -3.513 7.836 3.071 1.00 0.00 H
435
+ ATOM 434 HG21 THR A 31 -1.429 8.879 2.235 1.00 0.00 H
436
+ ATOM 435 HG22 THR A 31 -0.773 8.158 0.986 1.00 0.00 H
437
+ ATOM 436 HG23 THR A 31 -2.103 9.000 0.807 1.00 0.00 H
438
+ ATOM 437 N PHE A 32 -2.409 8.043 -1.394 1.00 0.00 N
439
+ ATOM 438 CA PHE A 32 -2.872 9.026 -2.416 1.00 0.00 C
440
+ ATOM 439 C PHE A 32 -3.213 8.344 -3.746 1.00 0.00 C
441
+ ATOM 440 O PHE A 32 -3.993 8.857 -4.523 1.00 0.00 O
442
+ ATOM 441 CB PHE A 32 -1.785 10.081 -2.643 1.00 0.00 C
443
+ ATOM 442 CG PHE A 32 -0.432 9.422 -2.794 1.00 0.00 C
444
+ ATOM 443 CD1 PHE A 32 0.006 8.988 -4.054 1.00 0.00 C
445
+ ATOM 444 CD2 PHE A 32 0.392 9.257 -1.673 1.00 0.00 C
446
+ ATOM 445 CE1 PHE A 32 1.268 8.390 -4.188 1.00 0.00 C
447
+ ATOM 446 CE2 PHE A 32 1.651 8.658 -1.810 1.00 0.00 C
448
+ ATOM 447 CZ PHE A 32 2.088 8.225 -3.067 1.00 0.00 C
449
+ ATOM 448 H PHE A 32 -1.556 7.953 -1.334 1.00 0.00 H
450
+ ATOM 449 HA PHE A 32 -3.680 9.446 -2.081 1.00 0.00 H
451
+ ATOM 450 HB2 PHE A 32 -1.989 10.598 -3.438 1.00 0.00 H
452
+ ATOM 451 HB3 PHE A 32 -1.768 10.701 -1.897 1.00 0.00 H
453
+ ATOM 452 HD1 PHE A 32 -0.539 9.097 -4.799 1.00 0.00 H
454
+ ATOM 453 HD2 PHE A 32 0.103 9.545 -0.837 1.00 0.00 H
455
+ ATOM 454 HE1 PHE A 32 1.560 8.103 -5.023 1.00 0.00 H
456
+ ATOM 455 HE2 PHE A 32 2.197 8.548 -1.065 1.00 0.00 H
457
+ ATOM 456 HZ PHE A 32 2.924 7.827 -3.157 1.00 0.00 H
458
+ ATOM 457 N CYS A 33 -2.643 7.206 -4.029 1.00 0.00 N
459
+ ATOM 458 CA CYS A 33 -2.955 6.532 -5.319 1.00 0.00 C
460
+ ATOM 459 C CYS A 33 -4.267 5.765 -5.191 1.00 0.00 C
461
+ ATOM 460 O CYS A 33 -4.729 5.140 -6.126 1.00 0.00 O
462
+ ATOM 461 CB CYS A 33 -1.834 5.560 -5.654 1.00 0.00 C
463
+ ATOM 462 SG CYS A 33 -0.310 6.478 -5.940 1.00 0.00 S
464
+ ATOM 463 H CYS A 33 -2.084 6.794 -3.522 1.00 0.00 H
465
+ ATOM 464 HA CYS A 33 -3.038 7.195 -6.022 1.00 0.00 H
466
+ ATOM 465 HB2 CYS A 33 -1.712 4.929 -4.927 1.00 0.00 H
467
+ ATOM 466 HB3 CYS A 33 -2.065 5.044 -6.442 1.00 0.00 H
468
+ ATOM 467 N LEU A 34 -4.856 5.792 -4.035 1.00 0.00 N
469
+ ATOM 468 CA LEU A 34 -6.125 5.051 -3.824 1.00 0.00 C
470
+ ATOM 469 C LEU A 34 -7.323 6.000 -3.926 1.00 0.00 C
471
+ ATOM 470 O LEU A 34 -7.787 6.336 -4.998 1.00 0.00 O
472
+ ATOM 471 CB LEU A 34 -6.076 4.436 -2.427 1.00 0.00 C
473
+ ATOM 472 CG LEU A 34 -5.422 3.065 -2.509 1.00 0.00 C
474
+ ATOM 473 CD1 LEU A 34 -4.681 2.788 -1.210 1.00 0.00 C
475
+ ATOM 474 CD2 LEU A 34 -6.497 2.003 -2.717 1.00 0.00 C
476
+ ATOM 475 H LEU A 34 -4.565 6.220 -3.348 1.00 0.00 H
477
+ ATOM 476 HA LEU A 34 -6.226 4.364 -4.501 1.00 0.00 H
478
+ ATOM 477 HB2 LEU A 34 -5.576 5.010 -1.826 1.00 0.00 H
479
+ ATOM 478 HB3 LEU A 34 -6.972 4.358 -2.064 1.00 0.00 H
480
+ ATOM 479 HG LEU A 34 -4.799 3.043 -3.252 1.00 0.00 H
481
+ ATOM 480 HD11 LEU A 34 -4.262 1.915 -1.256 1.00 0.00 H
482
+ ATOM 481 HD12 LEU A 34 -4.001 3.466 -1.074 1.00 0.00 H
483
+ ATOM 482 HD13 LEU A 34 -5.307 2.807 -0.470 1.00 0.00 H
484
+ ATOM 483 HD21 LEU A 34 -6.082 1.128 -2.770 1.00 0.00 H
485
+ ATOM 484 HD22 LEU A 34 -7.119 2.021 -1.973 1.00 0.00 H
486
+ ATOM 485 HD23 LEU A 34 -6.975 2.183 -3.541 1.00 0.00 H
487
+ ATOM 486 N ILE A 35 -7.804 6.432 -2.802 1.00 0.00 N
488
+ ATOM 487 CA ILE A 35 -8.957 7.367 -2.750 1.00 0.00 C
489
+ ATOM 488 C ILE A 35 -8.467 8.572 -1.949 1.00 0.00 C
490
+ ATOM 489 O ILE A 35 -7.375 8.505 -1.424 1.00 0.00 O
491
+ ATOM 490 CB ILE A 35 -10.119 6.654 -2.036 1.00 0.00 C
492
+ ATOM 491 CG1 ILE A 35 -10.157 7.068 -0.564 1.00 0.00 C
493
+ ATOM 492 CG2 ILE A 35 -9.908 5.141 -2.119 1.00 0.00 C
494
+ ATOM 493 CD1 ILE A 35 -11.130 6.165 0.196 1.00 0.00 C
495
+ ATOM 494 H ILE A 35 -7.493 6.210 -2.031 1.00 0.00 H
496
+ ATOM 495 HA ILE A 35 -9.271 7.646 -3.624 1.00 0.00 H
497
+ ATOM 496 HB ILE A 35 -10.954 6.899 -2.463 1.00 0.00 H
498
+ ATOM 497 HG12 ILE A 35 -9.270 7.002 -0.177 1.00 0.00 H
499
+ ATOM 498 HG13 ILE A 35 -10.433 7.995 -0.486 1.00 0.00 H
500
+ ATOM 499 HG21 ILE A 35 -10.638 4.687 -1.670 1.00 0.00 H
501
+ ATOM 500 HG22 ILE A 35 -9.882 4.868 -3.050 1.00 0.00 H
502
+ ATOM 501 HG23 ILE A 35 -9.070 4.907 -1.690 1.00 0.00 H
503
+ ATOM 502 HD11 ILE A 35 -11.154 6.428 1.129 1.00 0.00 H
504
+ ATOM 503 HD12 ILE A 35 -12.017 6.251 -0.186 1.00 0.00 H
505
+ ATOM 504 HD13 ILE A 35 -10.837 5.243 0.128 1.00 0.00 H
506
+ ATOM 505 N PRO A 36 -9.215 9.657 -1.834 1.00 0.00 N
507
+ ATOM 506 CA PRO A 36 -8.760 10.831 -1.056 1.00 0.00 C
508
+ ATOM 507 C PRO A 36 -7.739 10.390 0.008 1.00 0.00 C
509
+ ATOM 508 O PRO A 36 -8.068 9.626 0.893 1.00 0.00 O
510
+ ATOM 509 CB PRO A 36 -10.065 11.317 -0.437 1.00 0.00 C
511
+ ATOM 510 CG PRO A 36 -11.124 10.990 -1.456 1.00 0.00 C
512
+ ATOM 511 CD PRO A 36 -10.542 9.920 -2.403 1.00 0.00 C
513
+ ATOM 512 HA PRO A 36 -8.309 11.517 -1.572 1.00 0.00 H
514
+ ATOM 513 HB2 PRO A 36 -10.240 10.873 0.407 1.00 0.00 H
515
+ ATOM 514 HB3 PRO A 36 -10.034 12.269 -0.255 1.00 0.00 H
516
+ ATOM 515 HG2 PRO A 36 -11.926 10.661 -1.021 1.00 0.00 H
517
+ ATOM 516 HG3 PRO A 36 -11.376 11.784 -1.953 1.00 0.00 H
518
+ ATOM 517 HD2 PRO A 36 -11.090 9.120 -2.420 1.00 0.00 H
519
+ ATOM 518 HD3 PRO A 36 -10.483 10.243 -3.316 1.00 0.00 H
520
+ ATOM 519 N PRO A 37 -6.491 10.786 -0.119 1.00 0.00 N
521
+ ATOM 520 CA PRO A 37 -5.423 10.327 0.801 1.00 0.00 C
522
+ ATOM 521 C PRO A 37 -5.900 10.119 2.236 1.00 0.00 C
523
+ ATOM 522 O PRO A 37 -6.540 10.968 2.825 1.00 0.00 O
524
+ ATOM 523 CB PRO A 37 -4.388 11.442 0.731 1.00 0.00 C
525
+ ATOM 524 CG PRO A 37 -4.542 12.053 -0.626 1.00 0.00 C
526
+ ATOM 525 CD PRO A 37 -5.953 11.718 -1.129 1.00 0.00 C
527
+ ATOM 526 HA PRO A 37 -5.084 9.457 0.538 1.00 0.00 H
528
+ ATOM 527 HB2 PRO A 37 -4.537 12.100 1.428 1.00 0.00 H
529
+ ATOM 528 HB3 PRO A 37 -3.491 11.094 0.857 1.00 0.00 H
530
+ ATOM 529 HG2 PRO A 37 -4.415 13.014 -0.583 1.00 0.00 H
531
+ ATOM 530 HG3 PRO A 37 -3.872 11.705 -1.235 1.00 0.00 H
532
+ ATOM 531 HD2 PRO A 37 -6.501 12.515 -1.202 1.00 0.00 H
533
+ ATOM 532 HD3 PRO A 37 -5.927 11.310 -2.009 1.00 0.00 H
534
+ ATOM 533 N LEU A 38 -5.568 8.991 2.806 1.00 0.00 N
535
+ ATOM 534 CA LEU A 38 -5.971 8.716 4.209 1.00 0.00 C
536
+ ATOM 535 C LEU A 38 -5.100 9.554 5.143 1.00 0.00 C
537
+ ATOM 536 O LEU A 38 -4.062 10.052 4.751 1.00 0.00 O
538
+ ATOM 537 CB LEU A 38 -5.773 7.230 4.518 1.00 0.00 C
539
+ ATOM 538 CG LEU A 38 -6.848 6.399 3.813 1.00 0.00 C
540
+ ATOM 539 CD1 LEU A 38 -6.866 6.721 2.316 1.00 0.00 C
541
+ ATOM 540 CD2 LEU A 38 -6.534 4.914 3.998 1.00 0.00 C
542
+ ATOM 541 H LEU A 38 -5.117 8.365 2.426 1.00 0.00 H
543
+ ATOM 542 HA LEU A 38 -6.905 8.944 4.335 1.00 0.00 H
544
+ ATOM 543 HB2 LEU A 38 -4.892 6.946 4.227 1.00 0.00 H
545
+ ATOM 544 HB3 LEU A 38 -5.817 7.083 5.476 1.00 0.00 H
546
+ ATOM 545 HG LEU A 38 -7.714 6.610 4.196 1.00 0.00 H
547
+ ATOM 546 HD11 LEU A 38 -7.550 6.190 1.879 1.00 0.00 H
548
+ ATOM 547 HD12 LEU A 38 -7.059 7.663 2.190 1.00 0.00 H
549
+ ATOM 548 HD13 LEU A 38 -6.001 6.514 1.930 1.00 0.00 H
550
+ ATOM 549 HD21 LEU A 38 -7.212 4.382 3.553 1.00 0.00 H
551
+ ATOM 550 HD22 LEU A 38 -5.665 4.716 3.614 1.00 0.00 H
552
+ ATOM 551 HD23 LEU A 38 -6.525 4.700 4.944 1.00 0.00 H
553
+ ATOM 552 N HIS A 39 -5.504 9.722 6.370 1.00 0.00 N
554
+ ATOM 553 CA HIS A 39 -4.683 10.537 7.306 1.00 0.00 C
555
+ ATOM 554 C HIS A 39 -3.317 9.876 7.475 1.00 0.00 C
556
+ ATOM 555 O HIS A 39 -2.298 10.535 7.529 1.00 0.00 O
557
+ ATOM 556 CB HIS A 39 -5.384 10.622 8.664 1.00 0.00 C
558
+ ATOM 557 CG HIS A 39 -5.442 9.254 9.284 1.00 0.00 C
559
+ ATOM 558 ND1 HIS A 39 -4.649 8.897 10.365 1.00 0.00 N
560
+ ATOM 559 CD2 HIS A 39 -6.192 8.141 8.986 1.00 0.00 C
561
+ ATOM 560 CE1 HIS A 39 -4.937 7.619 10.677 1.00 0.00 C
562
+ ATOM 561 NE2 HIS A 39 -5.870 7.117 9.867 1.00 0.00 N
563
+ ATOM 562 H HIS A 39 -6.227 9.394 6.702 1.00 0.00 H
564
+ ATOM 563 HA HIS A 39 -4.572 11.432 6.949 1.00 0.00 H
565
+ ATOM 564 HB2 HIS A 39 -4.907 11.232 9.248 1.00 0.00 H
566
+ ATOM 565 HB3 HIS A 39 -6.280 10.977 8.555 1.00 0.00 H
567
+ ATOM 566 HD1 HIS A 39 -4.077 9.401 10.764 1.00 0.00 H
568
+ ATOM 567 HD2 HIS A 39 -6.818 8.083 8.301 1.00 0.00 H
569
+ ATOM 568 HE1 HIS A 39 -4.536 7.146 11.370 1.00 0.00 H
570
+ ATOM 569 HE2 HIS A 39 -6.203 6.324 9.886 1.00 0.00 H
571
+ ATOM 570 N ASP A 40 -3.288 8.576 7.543 1.00 0.00 N
572
+ ATOM 571 CA ASP A 40 -1.986 7.869 7.693 1.00 0.00 C
573
+ ATOM 572 C ASP A 40 -2.156 6.401 7.310 1.00 0.00 C
574
+ ATOM 573 O ASP A 40 -3.244 5.944 7.032 1.00 0.00 O
575
+ ATOM 574 CB ASP A 40 -1.504 7.966 9.141 1.00 0.00 C
576
+ ATOM 575 CG ASP A 40 -0.011 7.635 9.203 1.00 0.00 C
577
+ ATOM 576 OD1 ASP A 40 0.580 7.455 8.152 1.00 0.00 O
578
+ ATOM 577 OD2 ASP A 40 0.515 7.567 10.302 1.00 0.00 O
579
+ ATOM 578 H ASP A 40 -3.980 8.067 7.508 1.00 0.00 H
580
+ ATOM 579 HA ASP A 40 -1.330 8.283 7.111 1.00 0.00 H
581
+ ATOM 580 HB2 ASP A 40 -1.662 8.859 9.486 1.00 0.00 H
582
+ ATOM 581 HB3 ASP A 40 -2.005 7.353 9.701 1.00 0.00 H
583
+ ATOM 582 N VAL A 41 -1.083 5.660 7.293 1.00 0.00 N
584
+ ATOM 583 CA VAL A 41 -1.175 4.219 6.930 1.00 0.00 C
585
+ ATOM 584 C VAL A 41 -1.795 3.432 8.101 1.00 0.00 C
586
+ ATOM 585 O VAL A 41 -1.213 3.356 9.165 1.00 0.00 O
587
+ ATOM 586 CB VAL A 41 0.231 3.684 6.655 1.00 0.00 C
588
+ ATOM 587 CG1 VAL A 41 0.637 4.020 5.220 1.00 0.00 C
589
+ ATOM 588 CG2 VAL A 41 1.222 4.330 7.628 1.00 0.00 C
590
+ ATOM 589 H VAL A 41 -0.292 5.940 7.481 1.00 0.00 H
591
+ ATOM 590 HA VAL A 41 -1.730 4.116 6.141 1.00 0.00 H
592
+ ATOM 591 HB VAL A 41 0.238 2.721 6.775 1.00 0.00 H
593
+ ATOM 592 HG11 VAL A 41 1.529 3.680 5.048 1.00 0.00 H
594
+ ATOM 593 HG12 VAL A 41 0.011 3.611 4.602 1.00 0.00 H
595
+ ATOM 594 HG13 VAL A 41 0.629 4.982 5.098 1.00 0.00 H
596
+ ATOM 595 HG21 VAL A 41 2.114 3.991 7.454 1.00 0.00 H
597
+ ATOM 596 HG22 VAL A 41 1.213 5.292 7.508 1.00 0.00 H
598
+ ATOM 597 HG23 VAL A 41 0.967 4.116 8.539 1.00 0.00 H
599
+ ATOM 598 N PRO A 42 -2.958 2.843 7.919 1.00 0.00 N
600
+ ATOM 599 CA PRO A 42 -3.631 2.054 8.995 1.00 0.00 C
601
+ ATOM 600 C PRO A 42 -2.666 1.099 9.712 1.00 0.00 C
602
+ ATOM 601 O PRO A 42 -1.661 0.690 9.168 1.00 0.00 O
603
+ ATOM 602 CB PRO A 42 -4.709 1.275 8.247 1.00 0.00 C
604
+ ATOM 603 CG PRO A 42 -5.044 2.119 7.064 1.00 0.00 C
605
+ ATOM 604 CD PRO A 42 -3.767 2.866 6.685 1.00 0.00 C
606
+ ATOM 605 HA PRO A 42 -3.982 2.624 9.696 1.00 0.00 H
607
+ ATOM 606 HB2 PRO A 42 -4.386 0.401 7.975 1.00 0.00 H
608
+ ATOM 607 HB3 PRO A 42 -5.488 1.128 8.806 1.00 0.00 H
609
+ ATOM 608 HG2 PRO A 42 -5.355 1.571 6.326 1.00 0.00 H
610
+ ATOM 609 HG3 PRO A 42 -5.758 2.741 7.275 1.00 0.00 H
611
+ ATOM 610 HD2 PRO A 42 -3.306 2.431 5.950 1.00 0.00 H
612
+ ATOM 611 HD3 PRO A 42 -3.958 3.774 6.402 1.00 0.00 H
613
+ ATOM 612 N LYS A 43 -2.961 0.765 10.941 1.00 0.00 N
614
+ ATOM 613 CA LYS A 43 -2.064 -0.132 11.724 1.00 0.00 C
615
+ ATOM 614 C LYS A 43 -2.249 -1.599 11.320 1.00 0.00 C
616
+ ATOM 615 O LYS A 43 -2.035 -2.493 12.116 1.00 0.00 O
617
+ ATOM 616 CB LYS A 43 -2.384 0.024 13.209 1.00 0.00 C
618
+ ATOM 617 CG LYS A 43 -2.070 1.455 13.653 1.00 0.00 C
619
+ ATOM 618 CD LYS A 43 -2.282 1.580 15.162 1.00 0.00 C
620
+ ATOM 619 CE LYS A 43 -2.084 3.037 15.588 1.00 0.00 C
621
+ ATOM 620 NZ LYS A 43 -3.205 3.866 15.060 1.00 0.00 N
622
+ ATOM 621 H LYS A 43 -3.663 1.030 11.361 1.00 0.00 H
623
+ ATOM 622 HA LYS A 43 -1.144 0.118 11.543 1.00 0.00 H
624
+ ATOM 623 HB2 LYS A 43 -3.319 -0.177 13.371 1.00 0.00 H
625
+ ATOM 624 HB3 LYS A 43 -1.864 -0.608 13.730 1.00 0.00 H
626
+ ATOM 625 HG2 LYS A 43 -1.154 1.681 13.426 1.00 0.00 H
627
+ ATOM 626 HG3 LYS A 43 -2.642 2.082 13.183 1.00 0.00 H
628
+ ATOM 627 HD2 LYS A 43 -3.174 1.282 15.398 1.00 0.00 H
629
+ ATOM 628 HD3 LYS A 43 -1.658 1.007 15.634 1.00 0.00 H
630
+ ATOM 629 HE2 LYS A 43 -2.050 3.100 16.555 1.00 0.00 H
631
+ ATOM 630 HE3 LYS A 43 -1.237 3.370 15.253 1.00 0.00 H
632
+ ATOM 631 HZ1 LYS A 43 -3.233 4.641 15.497 1.00 0.00 H
633
+ ATOM 632 HZ2 LYS A 43 -3.078 4.019 14.193 1.00 0.00 H
634
+ ATOM 633 HZ3 LYS A 43 -3.974 3.433 15.175 1.00 0.00 H
635
+ ATOM 634 N GLY A 44 -2.625 -1.864 10.099 1.00 0.00 N
636
+ ATOM 635 CA GLY A 44 -2.797 -3.284 9.668 1.00 0.00 C
637
+ ATOM 636 C GLY A 44 -4.281 -3.660 9.634 1.00 0.00 C
638
+ ATOM 637 O GLY A 44 -4.629 -4.780 9.326 1.00 0.00 O
639
+ ATOM 638 H GLY A 44 -2.790 -1.274 9.495 1.00 0.00 H
640
+ ATOM 639 HA2 GLY A 44 -2.406 -3.410 8.789 1.00 0.00 H
641
+ ATOM 640 HA3 GLY A 44 -2.323 -3.872 10.277 1.00 0.00 H
642
+ ATOM 641 N ASP A 45 -5.156 -2.738 9.941 1.00 0.00 N
643
+ ATOM 642 CA ASP A 45 -6.613 -3.058 9.923 1.00 0.00 C
644
+ ATOM 643 C ASP A 45 -7.307 -2.232 8.837 1.00 0.00 C
645
+ ATOM 644 O ASP A 45 -8.057 -1.320 9.121 1.00 0.00 O
646
+ ATOM 645 CB ASP A 45 -7.225 -2.721 11.285 1.00 0.00 C
647
+ ATOM 646 CG ASP A 45 -8.685 -3.172 11.314 1.00 0.00 C
648
+ ATOM 647 OD1 ASP A 45 -9.112 -3.796 10.356 1.00 0.00 O
649
+ ATOM 648 OD2 ASP A 45 -9.353 -2.886 12.294 1.00 0.00 O
650
+ ATOM 649 H ASP A 45 -4.961 -1.930 10.162 1.00 0.00 H
651
+ ATOM 650 HA ASP A 45 -6.733 -4.002 9.737 1.00 0.00 H
652
+ ATOM 651 HB2 ASP A 45 -6.727 -3.160 11.992 1.00 0.00 H
653
+ ATOM 652 HB3 ASP A 45 -7.168 -1.767 11.449 1.00 0.00 H
654
+ ATOM 653 N TRP A 46 -7.060 -2.544 7.595 1.00 0.00 N
655
+ ATOM 654 CA TRP A 46 -7.707 -1.777 6.494 1.00 0.00 C
656
+ ATOM 655 C TRP A 46 -7.772 -2.635 5.230 1.00 0.00 C
657
+ ATOM 656 O TRP A 46 -7.150 -3.674 5.133 1.00 0.00 O
658
+ ATOM 657 CB TRP A 46 -6.900 -0.512 6.222 1.00 0.00 C
659
+ ATOM 658 CG TRP A 46 -7.011 -0.118 4.783 1.00 0.00 C
660
+ ATOM 659 CD1 TRP A 46 -7.975 0.677 4.260 1.00 0.00 C
661
+ ATOM 660 CD2 TRP A 46 -6.133 -0.474 3.678 1.00 0.00 C
662
+ ATOM 661 NE1 TRP A 46 -7.739 0.830 2.903 1.00 0.00 N
663
+ ATOM 662 CE2 TRP A 46 -6.613 0.139 2.498 1.00 0.00 C
664
+ ATOM 663 CE3 TRP A 46 -4.977 -1.263 3.589 1.00 0.00 C
665
+ ATOM 664 CZ2 TRP A 46 -5.960 -0.025 1.274 1.00 0.00 C
666
+ ATOM 665 CZ3 TRP A 46 -4.322 -1.429 2.361 1.00 0.00 C
667
+ ATOM 666 CH2 TRP A 46 -4.811 -0.810 1.207 1.00 0.00 C
668
+ ATOM 667 H TRP A 46 -6.537 -3.178 7.342 1.00 0.00 H
669
+ ATOM 668 HA TRP A 46 -8.610 -1.535 6.755 1.00 0.00 H
670
+ ATOM 669 HB2 TRP A 46 -7.220 0.210 6.786 1.00 0.00 H
671
+ ATOM 670 HB3 TRP A 46 -5.969 -0.660 6.451 1.00 0.00 H
672
+ ATOM 671 HD1 TRP A 46 -8.679 1.057 4.734 1.00 0.00 H
673
+ ATOM 672 HE1 TRP A 46 -8.233 1.298 2.377 1.00 0.00 H
674
+ ATOM 673 HE3 TRP A 46 -4.643 -1.679 4.350 1.00 0.00 H
675
+ ATOM 674 HZ2 TRP A 46 -6.290 0.387 0.509 1.00 0.00 H
676
+ ATOM 675 HZ3 TRP A 46 -3.556 -1.955 2.314 1.00 0.00 H
677
+ ATOM 676 HH2 TRP A 46 -4.370 -0.922 0.396 1.00 0.00 H
678
+ ATOM 677 N ARG A 47 -8.528 -2.202 4.262 1.00 0.00 N
679
+ ATOM 678 CA ARG A 47 -8.659 -2.970 3.000 1.00 0.00 C
680
+ ATOM 679 C ARG A 47 -8.767 -1.991 1.825 1.00 0.00 C
681
+ ATOM 680 O ARG A 47 -9.133 -0.846 2.000 1.00 0.00 O
682
+ ATOM 681 CB ARG A 47 -9.924 -3.823 3.073 1.00 0.00 C
683
+ ATOM 682 CG ARG A 47 -9.794 -4.838 4.208 1.00 0.00 C
684
+ ATOM 683 CD ARG A 47 -11.054 -5.700 4.252 1.00 0.00 C
685
+ ATOM 684 NE ARG A 47 -11.021 -6.698 3.145 1.00 0.00 N
686
+ ATOM 685 CZ ARG A 47 -10.495 -7.878 3.338 1.00 0.00 C
687
+ ATOM 686 NH1 ARG A 47 -9.957 -8.177 4.490 1.00 0.00 N
688
+ ATOM 687 NH2 ARG A 47 -10.498 -8.758 2.374 1.00 0.00 N
689
+ ATOM 688 H ARG A 47 -8.982 -1.472 4.290 1.00 0.00 H
690
+ ATOM 689 HA ARG A 47 -7.885 -3.541 2.874 1.00 0.00 H
691
+ ATOM 690 HB2 ARG A 47 -10.698 -3.257 3.220 1.00 0.00 H
692
+ ATOM 691 HB3 ARG A 47 -10.064 -4.283 2.230 1.00 0.00 H
693
+ ATOM 692 HG2 ARG A 47 -9.012 -5.395 4.071 1.00 0.00 H
694
+ ATOM 693 HG3 ARG A 47 -9.672 -4.380 5.054 1.00 0.00 H
695
+ ATOM 694 HD2 ARG A 47 -11.116 -6.154 5.107 1.00 0.00 H
696
+ ATOM 695 HD3 ARG A 47 -11.842 -5.140 4.171 1.00 0.00 H
697
+ ATOM 696 HE ARG A 47 -11.350 -6.496 2.376 1.00 0.00 H
698
+ ATOM 697 HH11 ARG A 47 -9.948 -7.596 5.124 1.00 0.00 H
699
+ ATOM 698 HH12 ARG A 47 -9.611 -8.955 4.614 1.00 0.00 H
700
+ ATOM 699 HH21 ARG A 47 -10.846 -8.561 1.613 1.00 0.00 H
701
+ ATOM 700 HH22 ARG A 47 -10.152 -9.535 2.500 1.00 0.00 H
702
+ ATOM 701 N CYS A 48 -8.459 -2.425 0.633 1.00 0.00 N
703
+ ATOM 702 CA CYS A 48 -8.557 -1.506 -0.534 1.00 0.00 C
704
+ ATOM 703 C CYS A 48 -9.955 -1.642 -1.161 1.00 0.00 C
705
+ ATOM 704 O CYS A 48 -10.711 -2.518 -0.791 1.00 0.00 O
706
+ ATOM 705 CB CYS A 48 -7.479 -1.860 -1.558 1.00 0.00 C
707
+ ATOM 706 SG CYS A 48 -8.084 -3.167 -2.642 1.00 0.00 S
708
+ ATOM 707 H CYS A 48 -8.195 -3.223 0.452 1.00 0.00 H
709
+ ATOM 708 HA CYS A 48 -8.422 -0.589 -0.247 1.00 0.00 H
710
+ ATOM 709 HB2 CYS A 48 -7.245 -1.076 -2.080 1.00 0.00 H
711
+ ATOM 710 HB3 CYS A 48 -6.672 -2.150 -1.105 1.00 0.00 H
712
+ ATOM 711 N PRO A 49 -10.314 -0.781 -2.085 1.00 0.00 N
713
+ ATOM 712 CA PRO A 49 -11.666 -0.825 -2.726 1.00 0.00 C
714
+ ATOM 713 C PRO A 49 -11.909 -2.120 -3.506 1.00 0.00 C
715
+ ATOM 714 O PRO A 49 -13.027 -2.580 -3.627 1.00 0.00 O
716
+ ATOM 715 CB PRO A 49 -11.677 0.381 -3.677 1.00 0.00 C
717
+ ATOM 716 CG PRO A 49 -10.537 1.245 -3.251 1.00 0.00 C
718
+ ATOM 717 CD PRO A 49 -9.498 0.312 -2.641 1.00 0.00 C
719
+ ATOM 718 HA PRO A 49 -12.369 -0.795 -2.058 1.00 0.00 H
720
+ ATOM 719 HB2 PRO A 49 -11.574 0.098 -4.599 1.00 0.00 H
721
+ ATOM 720 HB3 PRO A 49 -12.518 0.861 -3.620 1.00 0.00 H
722
+ ATOM 721 HG2 PRO A 49 -10.167 1.728 -4.007 1.00 0.00 H
723
+ ATOM 722 HG3 PRO A 49 -10.828 1.908 -2.606 1.00 0.00 H
724
+ ATOM 723 HD2 PRO A 49 -8.872 -0.011 -3.307 1.00 0.00 H
725
+ ATOM 724 HD3 PRO A 49 -8.977 0.756 -1.954 1.00 0.00 H
726
+ ATOM 725 N LYS A 50 -10.877 -2.702 -4.046 1.00 0.00 N
727
+ ATOM 726 CA LYS A 50 -11.055 -3.954 -4.833 1.00 0.00 C
728
+ ATOM 727 C LYS A 50 -11.670 -5.053 -3.965 1.00 0.00 C
729
+ ATOM 728 O LYS A 50 -12.530 -5.790 -4.406 1.00 0.00 O
730
+ ATOM 729 CB LYS A 50 -9.704 -4.416 -5.373 1.00 0.00 C
731
+ ATOM 730 CG LYS A 50 -9.901 -5.647 -6.261 1.00 0.00 C
732
+ ATOM 731 CD LYS A 50 -8.541 -6.147 -6.749 1.00 0.00 C
733
+ ATOM 732 CE LYS A 50 -8.744 -7.285 -7.750 1.00 0.00 C
734
+ ATOM 733 NZ LYS A 50 -9.629 -6.822 -8.857 1.00 0.00 N
735
+ ATOM 734 H LYS A 50 -10.067 -2.418 -3.988 1.00 0.00 H
736
+ ATOM 735 HA LYS A 50 -11.656 -3.774 -5.573 1.00 0.00 H
737
+ ATOM 736 HB2 LYS A 50 -9.287 -3.703 -5.881 1.00 0.00 H
738
+ ATOM 737 HB3 LYS A 50 -9.107 -4.628 -4.639 1.00 0.00 H
739
+ ATOM 738 HG2 LYS A 50 -10.354 -6.346 -5.765 1.00 0.00 H
740
+ ATOM 739 HG3 LYS A 50 -10.465 -5.425 -7.018 1.00 0.00 H
741
+ ATOM 740 HD2 LYS A 50 -8.049 -5.422 -7.165 1.00 0.00 H
742
+ ATOM 741 HD3 LYS A 50 -8.010 -6.455 -5.998 1.00 0.00 H
743
+ ATOM 742 HE2 LYS A 50 -7.888 -7.572 -8.106 1.00 0.00 H
744
+ ATOM 743 HE3 LYS A 50 -9.139 -8.052 -7.307 1.00 0.00 H
745
+ ATOM 744 HZ1 LYS A 50 -9.438 -7.275 -9.599 1.00 0.00 H
746
+ ATOM 745 HZ2 LYS A 50 -10.480 -6.961 -8.635 1.00 0.00 H
747
+ ATOM 746 HZ3 LYS A 50 -9.498 -5.953 -8.998 1.00 0.00 H
748
+ ATOM 747 N CYS A 51 -11.251 -5.177 -2.736 1.00 0.00 N
749
+ ATOM 748 CA CYS A 51 -11.837 -6.240 -1.869 1.00 0.00 C
750
+ ATOM 749 C CYS A 51 -13.264 -5.842 -1.484 1.00 0.00 C
751
+ ATOM 750 O CYS A 51 -14.129 -6.675 -1.303 1.00 0.00 O
752
+ ATOM 751 CB CYS A 51 -10.994 -6.432 -0.604 1.00 0.00 C
753
+ ATOM 752 SG CYS A 51 -9.946 -4.986 -0.333 1.00 0.00 S
754
+ ATOM 753 H CYS A 51 -10.649 -4.687 -2.366 1.00 0.00 H
755
+ ATOM 754 HA CYS A 51 -11.848 -7.077 -2.359 1.00 0.00 H
756
+ ATOM 755 HB2 CYS A 51 -11.573 -6.569 0.162 1.00 0.00 H
757
+ ATOM 756 HB3 CYS A 51 -10.445 -7.227 -0.690 1.00 0.00 H
758
+ ATOM 757 N LEU A 52 -13.510 -4.571 -1.352 1.00 0.00 N
759
+ ATOM 758 CA LEU A 52 -14.875 -4.107 -0.977 1.00 0.00 C
760
+ ATOM 759 C LEU A 52 -15.858 -4.398 -2.115 1.00 0.00 C
761
+ ATOM 760 O LEU A 52 -17.011 -4.703 -1.889 1.00 0.00 O
762
+ ATOM 761 CB LEU A 52 -14.837 -2.604 -0.729 1.00 0.00 C
763
+ ATOM 762 CG LEU A 52 -13.835 -2.285 0.383 1.00 0.00 C
764
+ ATOM 763 CD1 LEU A 52 -13.851 -0.783 0.668 1.00 0.00 C
765
+ ATOM 764 CD2 LEU A 52 -14.220 -3.046 1.654 1.00 0.00 C
766
+ ATOM 765 H LEU A 52 -12.931 -3.946 -1.467 1.00 0.00 H
767
+ ATOM 766 HA LEU A 52 -15.163 -4.573 -0.177 1.00 0.00 H
768
+ ATOM 767 HB2 LEU A 52 -14.587 -2.140 -1.543 1.00 0.00 H
769
+ ATOM 768 HB3 LEU A 52 -15.719 -2.287 -0.481 1.00 0.00 H
770
+ ATOM 769 HG LEU A 52 -12.946 -2.553 0.102 1.00 0.00 H
771
+ ATOM 770 HD11 LEU A 52 -13.216 -0.580 1.373 1.00 0.00 H
772
+ ATOM 771 HD12 LEU A 52 -13.607 -0.298 -0.136 1.00 0.00 H
773
+ ATOM 772 HD13 LEU A 52 -14.740 -0.516 0.948 1.00 0.00 H
774
+ ATOM 773 HD21 LEU A 52 -13.584 -2.843 2.358 1.00 0.00 H
775
+ ATOM 774 HD22 LEU A 52 -15.109 -2.778 1.935 1.00 0.00 H
776
+ ATOM 775 HD23 LEU A 52 -14.211 -3.999 1.476 1.00 0.00 H
777
+ ATOM 776 N ALA A 53 -15.411 -4.293 -3.336 1.00 0.00 N
778
+ ATOM 777 CA ALA A 53 -16.321 -4.548 -4.489 1.00 0.00 C
779
+ ATOM 778 C ALA A 53 -16.855 -5.978 -4.412 1.00 0.00 C
780
+ ATOM 779 O ALA A 53 -17.921 -6.282 -4.908 1.00 0.00 O
781
+ ATOM 780 CB ALA A 53 -15.550 -4.364 -5.798 1.00 0.00 C
782
+ ATOM 781 H ALA A 53 -14.605 -4.081 -3.546 1.00 0.00 H
783
+ ATOM 782 HA ALA A 53 -17.062 -3.923 -4.458 1.00 0.00 H
784
+ ATOM 783 HB1 ALA A 53 -16.142 -4.530 -6.548 1.00 0.00 H
785
+ ATOM 784 HB2 ALA A 53 -15.210 -3.457 -5.849 1.00 0.00 H
786
+ ATOM 785 HB3 ALA A 53 -14.808 -4.989 -5.828 1.00 0.00 H
787
+ ATOM 786 N GLN A 54 -16.120 -6.857 -3.793 1.00 0.00 N
788
+ ATOM 787 CA GLN A 54 -16.575 -8.266 -3.684 1.00 0.00 C
789
+ ATOM 788 C GLN A 54 -17.928 -8.294 -2.980 1.00 0.00 C
790
+ ATOM 789 O GLN A 54 -18.810 -9.057 -3.321 1.00 0.00 O
791
+ ATOM 790 CB GLN A 54 -15.565 -9.039 -2.846 1.00 0.00 C
792
+ ATOM 791 CG GLN A 54 -14.171 -8.802 -3.414 1.00 0.00 C
793
+ ATOM 792 CD GLN A 54 -13.165 -9.706 -2.697 1.00 0.00 C
794
+ ATOM 793 OE1 GLN A 54 -12.949 -10.832 -3.098 1.00 0.00 O
795
+ ATOM 794 NE2 GLN A 54 -12.544 -9.262 -1.639 1.00 0.00 N
796
+ ATOM 795 H GLN A 54 -15.361 -6.689 -3.425 1.00 0.00 H
797
+ ATOM 796 HA GLN A 54 -16.653 -8.664 -4.565 1.00 0.00 H
798
+ ATOM 797 HB2 GLN A 54 -15.604 -8.749 -1.921 1.00 0.00 H
799
+ ATOM 798 HB3 GLN A 54 -15.775 -9.986 -2.856 1.00 0.00 H
800
+ ATOM 799 HG2 GLN A 54 -14.164 -8.986 -4.366 1.00 0.00 H
801
+ ATOM 800 HG3 GLN A 54 -13.920 -7.872 -3.303 1.00 0.00 H
802
+ ATOM 801 HE21 GLN A 54 -12.696 -8.465 -1.354 1.00 0.00 H
803
+ ATOM 802 HE22 GLN A 54 -11.983 -9.766 -1.227 1.00 0.00 H
804
+ ATOM 803 N GLU A 55 -18.090 -7.459 -1.996 1.00 0.00 N
805
+ ATOM 804 CA GLU A 55 -19.378 -7.417 -1.251 1.00 0.00 C
806
+ ATOM 805 C GLU A 55 -20.280 -6.337 -1.852 1.00 0.00 C
807
+ ATOM 806 O GLU A 55 -20.872 -5.593 -1.087 1.00 0.00 O
808
+ ATOM 807 CB GLU A 55 -19.107 -7.095 0.220 1.00 0.00 C
809
+ ATOM 808 CG GLU A 55 -18.254 -8.204 0.837 1.00 0.00 C
810
+ ATOM 809 CD GLU A 55 -18.045 -7.921 2.325 1.00 0.00 C
811
+ ATOM 810 OE1 GLU A 55 -18.403 -6.838 2.758 1.00 0.00 O
812
+ ATOM 811 OE2 GLU A 55 -17.531 -8.793 3.008 1.00 0.00 O
813
+ ATOM 812 OXT GLU A 55 -20.365 -6.273 -3.067 1.00 0.00 O
814
+ ATOM 813 H GLU A 55 -17.493 -6.903 -1.723 1.00 0.00 H
815
+ ATOM 814 HA GLU A 55 -19.818 -8.279 -1.317 1.00 0.00 H
816
+ ATOM 815 HB2 GLU A 55 -18.650 -6.243 0.296 1.00 0.00 H
817
+ ATOM 816 HB3 GLU A 55 -19.944 -7.012 0.702 1.00 0.00 H
818
+ ATOM 817 HG2 GLU A 55 -18.689 -9.063 0.720 1.00 0.00 H
819
+ ATOM 818 HG3 GLU A 55 -17.398 -8.256 0.385 1.00 0.00 H
820
+ TER 819 GLU A 55
821
+ END
2q94/2q94_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:58 2018
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+ ###
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12
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21
+ 9 CAG -4.0590 -0.9830 8.6510 C.ar 1 A04 0.0436
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+ 18 FAO -6.4050 1.8650 9.9900 F 1 A04 -0.1398
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+
2q94/2q94_ligand.sdf ADDED
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1
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+ 13 26 1 0 0 0
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+ M END
59
+ $$$$
2q94/2q94_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2q94/2q94_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
3as1/3as1_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:13:05 2018
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+ ###
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+
3as1/3as1_ligand.sdf ADDED
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+ M END
100
+ $$$$
3as1/3as1_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
3as1/3as1_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
3djx/3djx_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:59 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 3djx_ligand
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+
11
+
12
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17
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31
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32
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33
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34
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35
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40
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84
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85
+
3djx/3djx_ligand.sdf ADDED
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1
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75
+ $$$$
3djx/3djx_protein_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
3ebb/3ebb_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:13:00 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 3ebb_ligand
7
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9
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10
+
11
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12
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13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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25
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38
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39
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40
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41
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42
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46
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47
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48
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49
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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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57
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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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139
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140
+
3ebb/3ebb_ligand.sdf ADDED
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1
+ 3ebb_ligand
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4
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59
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60
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61
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62
+ 16.3717 -9.8866 30.1626 H 0 0 0 0 0
63
+ 12.6198 -11.3878 28.7120 H 0 0 0 0 0
64
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65
+ 12.3406 -7.7382 36.5391 H 0 0 0 0 0
66
+ 14.4892 -8.4791 34.6061 H 0 0 0 0 0
67
+ 14.7137 -7.5616 36.1923 H 0 0 0 0 0
68
+ 15.7573 -6.7117 33.9641 H 0 0 0 0 0
69
+ 1 2 1 0 0 0
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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81
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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130
+ 30 62 1 0 0 0
131
+ 30 63 1 0 0 0
132
+ 33 64 1 0 0 0
133
+ M END
134
+ $$$$
3ebb/3ebb_protein_esmfold_aligned_tr_fix.pdb ADDED
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