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THU-ATOM
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PDBbind

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Add batch 1

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Files changed (36) hide show
  1. 187l/187l_ligand.mol2 +52 -0
  2. 187l/187l_ligand.sdf +42 -0
  3. 187l/187l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 187l/187l_protein_processed_fix.pdb +0 -0
  5. 1a09/1a09_ligand.mol2 +180 -0
  6. 1a09/1a09_ligand.sdf +176 -0
  7. 1a09/1a09_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1a09/1a09_protein_processed_fix.pdb +0 -0
  9. 1a37/1a37_ligand.mol2 +133 -0
  10. 1a37/1a37_ligand.sdf +129 -0
  11. 1a37/1a37_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1a37/1a37_protein_processed_fix.pdb +0 -0
  13. 1a42/1a42_ligand.mol2 +107 -0
  14. 1a42/1a42_ligand.sdf +97 -0
  15. 1a42/1a42_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1a42/1a42_protein_processed_fix.pdb +0 -0
  17. 1a46/1a46_ligand.mol2 +189 -0
  18. 1a46/1a46_ligand.sdf +179 -0
  19. 1a46/1a46_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1a46/1a46_protein_processed_fix.pdb +0 -0
  21. 1a4g/1a4g_ligand.mol2 +102 -0
  22. 1a4g/1a4g_ligand.sdf +92 -0
  23. 1a4g/1a4g_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1a4g/1a4g_protein_processed_fix.pdb +0 -0
  25. 1a5v/1a5v_ligand.mol2 +85 -0
  26. 1a5v/1a5v_ligand.sdf +75 -0
  27. 1a5v/1a5v_protein_esmfold_aligned_tr_fix.pdb +1126 -0
  28. 1a5v/1a5v_protein_processed_fix.pdb +0 -0
  29. 1a94/1a94_ligand.mol2 +272 -0
  30. 1a94/1a94_ligand.sdf +262 -0
  31. 1a94/1a94_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1a94/1a94_protein_processed_fix.pdb +0 -0
  33. 1aaq/1aaq_ligand.mol2 +194 -0
  34. 1aaq/1aaq_ligand.sdf +184 -0
  35. 1aaq/1aaq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1aaq/1aaq_protein_processed_fix.pdb +0 -0
187l/187l_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+ @<TRIPOS>MOLECULE
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187l/187l_ligand.sdf ADDED
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+ 187l_ligand
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+ -I-interpret-
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+ M END
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+ $$$$
187l/187l_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
187l/187l_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a09/1a09_ligand.mol2 ADDED
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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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1a37/1a37_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a37/1a37_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1
+ ###
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1a46/1a46_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a46/1a46_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a4g/1a4g_ligand.mol2 ADDED
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1a4g/1a4g_ligand.sdf ADDED
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1a4g/1a4g_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a4g/1a4g_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a5v/1a5v_ligand.mol2 ADDED
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1
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+ ###
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5
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1a5v/1a5v_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1126 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C GLY A 1 27.810 28.126 46.546 1.00 34.34 C
2
+ ATOM 2 CA GLY A 1 26.724 27.323 45.855 1.00 34.68 C
3
+ ATOM 3 N GLY A 1 27.236 26.166 45.138 1.00 33.54 N
4
+ ATOM 4 O GLY A 1 28.695 27.559 47.189 1.00 33.31 O
5
+ ATOM 5 C LEU A 2 29.160 29.954 48.092 1.00 42.84 C
6
+ ATOM 6 CA LEU A 2 29.577 29.857 46.628 1.00 43.92 C
7
+ ATOM 7 CB LEU A 2 29.789 31.260 46.052 1.00 39.08 C
8
+ ATOM 8 CD1 LEU A 2 30.300 32.741 44.094 1.00 36.60 C
9
+ ATOM 9 CD2 LEU A 2 31.902 30.920 44.740 1.00 38.88 C
10
+ ATOM 10 CG LEU A 2 30.436 31.334 44.668 1.00 37.45 C
11
+ ATOM 11 N LEU A 2 28.579 29.132 45.850 1.00 42.34 N
12
+ ATOM 12 O LEU A 2 28.114 30.524 48.407 1.00 41.41 O
13
+ ATOM 13 C GLY A 3 29.183 30.076 51.019 1.00 46.35 C
14
+ ATOM 14 CA GLY A 3 28.617 28.860 50.311 1.00 47.04 C
15
+ ATOM 15 N GLY A 3 28.933 28.824 48.892 1.00 46.73 N
16
+ ATOM 16 O GLY A 3 29.860 30.900 50.402 1.00 44.44 O
17
+ ATOM 17 C PRO A 4 30.210 32.335 52.759 1.00 47.48 C
18
+ ATOM 18 CA PRO A 4 28.752 31.884 52.778 1.00 46.86 C
19
+ ATOM 19 CB PRO A 4 28.295 31.573 54.206 1.00 42.60 C
20
+ ATOM 20 CD PRO A 4 28.219 29.569 52.829 1.00 41.34 C
21
+ ATOM 21 CG PRO A 4 28.114 30.089 54.234 1.00 39.49 C
22
+ ATOM 22 N PRO A 4 28.542 30.617 52.074 1.00 47.44 N
23
+ ATOM 23 O PRO A 4 31.081 31.646 53.298 1.00 45.27 O
24
+ ATOM 24 C LEU A 5 32.130 34.404 53.048 1.00 57.98 C
25
+ ATOM 25 CA LEU A 5 31.931 33.814 51.656 1.00 57.77 C
26
+ ATOM 26 CB LEU A 5 31.699 34.936 50.641 1.00 52.20 C
27
+ ATOM 27 CD1 LEU A 5 31.183 35.699 48.309 1.00 47.62 C
28
+ ATOM 28 CD2 LEU A 5 32.926 33.936 48.693 1.00 48.68 C
29
+ ATOM 29 CG LEU A 5 31.601 34.515 49.174 1.00 50.41 C
30
+ ATOM 30 N LEU A 5 30.813 32.876 51.645 1.00 57.65 N
31
+ ATOM 31 O LEU A 5 31.310 35.198 53.514 1.00 55.28 O
32
+ ATOM 32 C GLN A 6 33.630 34.771 56.150 1.00 73.48 C
33
+ ATOM 33 CA GLN A 6 32.418 34.148 55.463 1.00 72.59 C
34
+ ATOM 34 CB GLN A 6 31.852 33.016 56.322 1.00 64.52 C
35
+ ATOM 35 CD GLN A 6 29.742 31.838 57.075 1.00 57.74 C
36
+ ATOM 36 CG GLN A 6 30.417 32.642 55.980 1.00 58.55 C
37
+ ATOM 37 N GLN A 6 32.760 33.660 54.132 1.00 71.64 N
38
+ ATOM 38 NE2 GLN A 6 28.432 31.651 56.952 1.00 43.34 N
39
+ ATOM 39 O GLN A 6 33.531 35.853 56.733 1.00 68.96 O
40
+ ATOM 40 OE1 GLN A 6 30.393 31.386 58.023 1.00 54.21 O
41
+ ATOM 41 C ILE A 7 37.270 34.591 56.038 1.00 87.08 C
42
+ ATOM 42 CA ILE A 7 35.968 34.556 56.835 1.00 86.76 C
43
+ ATOM 43 CB ILE A 7 36.139 33.688 58.101 1.00 85.33 C
44
+ ATOM 44 CD1 ILE A 7 34.860 32.708 60.095 1.00 78.04 C
45
+ ATOM 45 CG1 ILE A 7 34.844 33.679 58.921 1.00 80.65 C
46
+ ATOM 46 CG2 ILE A 7 37.316 34.188 58.944 1.00 79.61 C
47
+ ATOM 47 N ILE A 7 34.887 34.059 55.990 1.00 86.45 N
48
+ ATOM 48 O ILE A 7 37.674 33.585 55.449 1.00 86.20 O
49
+ ATOM 49 C TRP A 8 40.244 35.892 56.324 1.00 89.17 C
50
+ ATOM 50 CA TRP A 8 39.129 35.928 55.285 1.00 89.99 C
51
+ ATOM 51 CB TRP A 8 39.175 37.250 54.514 1.00 88.83 C
52
+ ATOM 52 CD1 TRP A 8 37.518 36.263 52.819 1.00 80.89 C
53
+ ATOM 53 CD2 TRP A 8 38.019 38.418 52.475 1.00 83.26 C
54
+ ATOM 54 CE2 TRP A 8 37.106 38.002 51.481 1.00 86.72 C
55
+ ATOM 55 CE3 TRP A 8 38.478 39.742 52.463 1.00 87.51 C
56
+ ATOM 56 CG TRP A 8 38.267 37.291 53.321 1.00 86.09 C
57
+ ATOM 57 CH2 TRP A 8 37.111 40.153 50.494 1.00 83.75 C
58
+ ATOM 58 CZ2 TRP A 8 36.645 38.863 50.483 1.00 84.65 C
59
+ ATOM 59 CZ3 TRP A 8 38.018 40.599 51.469 1.00 85.41 C
60
+ ATOM 60 N TRP A 8 37.825 35.745 55.913 1.00 89.14 N
61
+ ATOM 61 NE1 TRP A 8 36.817 36.684 51.713 1.00 86.43 N
62
+ ATOM 62 O TRP A 8 40.052 36.320 57.464 1.00 87.82 O
63
+ ATOM 63 C GLN A 9 43.501 36.364 55.768 1.00 90.49 C
64
+ ATOM 64 CA GLN A 9 42.549 35.495 56.583 1.00 89.69 C
65
+ ATOM 65 CB GLN A 9 43.199 34.142 56.880 1.00 87.42 C
66
+ ATOM 66 CD GLN A 9 42.293 33.631 59.188 1.00 70.70 C
67
+ ATOM 67 CG GLN A 9 42.335 33.218 57.728 1.00 76.12 C
68
+ ATOM 68 N GLN A 9 41.279 35.312 55.890 1.00 89.60 N
69
+ ATOM 69 NE2 GLN A 9 41.381 33.032 59.947 1.00 56.43 N
70
+ ATOM 70 O GLN A 9 43.704 36.124 54.575 1.00 89.90 O
71
+ ATOM 71 OE1 GLN A 9 43.073 34.480 59.629 1.00 63.91 O
72
+ ATOM 72 C THR A 10 46.260 38.430 56.425 1.00 92.02 C
73
+ ATOM 73 CA THR A 10 44.936 38.261 55.685 1.00 92.26 C
74
+ ATOM 74 CB THR A 10 44.255 39.632 55.524 1.00 91.58 C
75
+ ATOM 75 CG2 THR A 10 45.172 40.622 54.814 1.00 87.57 C
76
+ ATOM 76 N THR A 10 44.070 37.318 56.384 1.00 92.01 N
77
+ ATOM 77 O THR A 10 46.285 38.493 57.656 1.00 91.24 O
78
+ ATOM 78 OG1 THR A 10 43.054 39.476 54.759 1.00 90.01 O
79
+ ATOM 79 C ASP A 11 49.497 39.457 55.141 1.00 92.02 C
80
+ ATOM 80 CA ASP A 11 48.654 38.738 56.192 1.00 91.67 C
81
+ ATOM 81 CB ASP A 11 49.320 37.419 56.590 1.00 90.05 C
82
+ ATOM 82 CG ASP A 11 50.600 37.618 57.383 1.00 82.18 C
83
+ ATOM 83 N ASP A 11 47.300 38.499 55.704 1.00 91.52 N
84
+ ATOM 84 O ASP A 11 49.132 39.497 53.965 1.00 91.42 O
85
+ ATOM 85 OD1 ASP A 11 50.835 38.735 57.892 1.00 76.91 O
86
+ ATOM 86 OD2 ASP A 11 51.382 36.649 57.497 1.00 82.62 O
87
+ ATOM 87 C PHE A 12 52.803 39.689 54.630 1.00 92.39 C
88
+ ATOM 88 CA PHE A 12 51.580 40.597 54.675 1.00 93.24 C
89
+ ATOM 89 CB PHE A 12 51.987 42.004 55.125 1.00 92.92 C
90
+ ATOM 90 CD1 PHE A 12 51.092 43.680 53.476 1.00 91.82 C
91
+ ATOM 91 CD2 PHE A 12 50.007 43.479 55.598 1.00 91.56 C
92
+ ATOM 92 CE1 PHE A 12 50.188 44.673 53.102 1.00 91.29 C
93
+ ATOM 93 CE2 PHE A 12 49.101 44.470 55.232 1.00 91.50 C
94
+ ATOM 94 CG PHE A 12 51.009 43.076 54.725 1.00 92.79 C
95
+ ATOM 95 CZ PHE A 12 49.193 45.066 53.984 1.00 91.25 C
96
+ ATOM 96 N PHE A 12 50.561 40.050 55.562 1.00 93.08 N
97
+ ATOM 97 O PHE A 12 53.279 39.228 55.670 1.00 91.12 O
98
+ ATOM 98 C THR A 13 55.601 39.487 52.466 1.00 92.93 C
99
+ ATOM 99 CA THR A 13 54.621 38.716 53.344 1.00 92.84 C
100
+ ATOM 100 CB THR A 13 54.367 37.324 52.736 1.00 91.84 C
101
+ ATOM 101 CG2 THR A 13 53.970 37.428 51.268 1.00 85.23 C
102
+ ATOM 102 N THR A 13 53.374 39.458 53.502 1.00 92.96 N
103
+ ATOM 103 O THR A 13 55.192 40.300 51.634 1.00 92.16 O
104
+ ATOM 104 OG1 THR A 13 55.563 36.539 52.841 1.00 86.53 O
105
+ ATOM 105 C LEU A 14 58.451 39.135 50.902 1.00 92.75 C
106
+ ATOM 106 CA LEU A 14 57.885 39.987 52.033 1.00 93.08 C
107
+ ATOM 107 CB LEU A 14 59.001 40.366 53.011 1.00 91.47 C
108
+ ATOM 108 CD1 LEU A 14 59.495 42.693 52.216 1.00 76.17 C
109
+ ATOM 109 CD2 LEU A 14 61.250 41.390 53.451 1.00 76.26 C
110
+ ATOM 110 CG LEU A 14 60.081 41.308 52.475 1.00 84.23 C
111
+ ATOM 111 N LEU A 14 56.813 39.284 52.729 1.00 93.02 N
112
+ ATOM 112 O LEU A 14 58.761 37.958 51.102 1.00 91.64 O
113
+ ATOM 113 C GLU A 15 60.246 40.048 47.996 1.00 93.22 C
114
+ ATOM 114 CA GLU A 15 59.202 39.096 48.574 1.00 93.67 C
115
+ ATOM 115 CB GLU A 15 58.179 38.722 47.499 1.00 92.81 C
116
+ ATOM 116 CD GLU A 15 59.758 37.008 46.490 1.00 84.63 C
117
+ ATOM 117 CG GLU A 15 58.800 38.159 46.229 1.00 89.51 C
118
+ ATOM 118 N GLU A 15 58.537 39.684 49.733 1.00 93.73 N
119
+ ATOM 119 O GLU A 15 59.942 40.843 47.105 1.00 91.85 O
120
+ ATOM 120 OE1 GLU A 15 59.299 35.914 46.890 1.00 84.27 O
121
+ ATOM 121 OE2 GLU A 15 60.979 37.201 46.291 1.00 83.79 O
122
+ ATOM 122 C PRO A 16 62.870 40.979 46.673 1.00 91.74 C
123
+ ATOM 123 CA PRO A 16 62.578 40.888 48.169 1.00 92.01 C
124
+ ATOM 124 CB PRO A 16 63.801 40.372 48.933 1.00 90.57 C
125
+ ATOM 125 CD PRO A 16 61.980 38.935 49.661 1.00 86.83 C
126
+ ATOM 126 CG PRO A 16 63.237 39.629 50.100 1.00 87.54 C
127
+ ATOM 127 N PRO A 16 61.543 39.901 48.485 1.00 92.01 N
128
+ ATOM 128 O PRO A 16 63.320 42.021 46.191 1.00 90.60 O
129
+ ATOM 129 C ARG A 17 61.918 41.009 43.757 1.00 91.42 C
130
+ ATOM 130 CA ARG A 17 62.842 40.026 44.469 1.00 91.56 C
131
+ ATOM 131 CB ARG A 17 62.679 38.627 43.872 1.00 89.95 C
132
+ ATOM 132 CD ARG A 17 63.549 36.270 43.686 1.00 80.33 C
133
+ ATOM 133 CG ARG A 17 63.696 37.618 44.381 1.00 83.66 C
134
+ ATOM 134 CZ ARG A 17 61.876 34.456 43.542 1.00 73.89 C
135
+ ATOM 135 N ARG A 17 62.580 40.006 45.904 1.00 91.65 N
136
+ ATOM 136 NE ARG A 17 62.295 35.613 44.045 1.00 76.66 N
137
+ ATOM 137 NH1 ARG A 17 62.604 33.803 42.644 1.00 66.98 N
138
+ ATOM 138 NH2 ARG A 17 60.718 33.948 43.940 1.00 63.49 N
139
+ ATOM 139 O ARG A 17 62.139 41.345 42.592 1.00 90.16 O
140
+ ATOM 140 C MET A 18 60.040 43.753 44.409 1.00 91.89 C
141
+ ATOM 141 CA MET A 18 59.864 42.316 43.929 1.00 92.89 C
142
+ ATOM 142 CB MET A 18 58.455 41.822 44.264 1.00 91.56 C
143
+ ATOM 143 CE MET A 18 56.004 39.404 45.137 1.00 78.49 C
144
+ ATOM 144 CG MET A 18 58.113 40.477 43.643 1.00 87.03 C
145
+ ATOM 145 N MET A 18 60.870 41.440 44.522 1.00 92.99 N
146
+ ATOM 146 O MET A 18 59.102 44.549 44.358 1.00 89.51 O
147
+ ATOM 147 SD MET A 18 56.304 40.194 43.532 1.00 85.55 S
148
+ ATOM 148 C ALA A 19 61.351 46.375 44.115 1.00 89.75 C
149
+ ATOM 149 CA ALA A 19 61.570 45.446 45.304 1.00 90.36 C
150
+ ATOM 150 CB ALA A 19 63.001 45.579 45.824 1.00 87.16 C
151
+ ATOM 151 N ALA A 19 61.287 44.058 44.947 1.00 90.08 N
152
+ ATOM 152 O ALA A 19 61.632 46.008 42.972 1.00 87.15 O
153
+ ATOM 153 C PRO A 20 59.336 47.992 46.345 1.00 88.69 C
154
+ ATOM 154 CA PRO A 20 60.650 48.303 45.633 1.00 89.65 C
155
+ ATOM 155 CB PRO A 20 60.762 49.798 45.323 1.00 87.40 C
156
+ ATOM 156 CD PRO A 20 60.448 48.746 43.152 1.00 82.76 C
157
+ ATOM 157 CG PRO A 20 60.128 49.958 43.979 1.00 84.17 C
158
+ ATOM 158 N PRO A 20 60.741 47.676 44.312 1.00 89.42 N
159
+ ATOM 159 O PRO A 20 59.167 48.336 47.517 1.00 85.73 O
160
+ ATOM 160 C ARG A 21 57.141 45.638 46.664 1.00 90.52 C
161
+ ATOM 161 CA ARG A 21 57.115 47.111 46.268 1.00 90.98 C
162
+ ATOM 162 CB ARG A 21 55.929 47.383 45.340 1.00 87.42 C
163
+ ATOM 163 CD ARG A 21 54.515 49.072 44.120 1.00 75.54 C
164
+ ATOM 164 CG ARG A 21 55.719 48.856 45.026 1.00 79.54 C
165
+ ATOM 165 CZ ARG A 21 52.714 50.742 43.830 1.00 72.92 C
166
+ ATOM 166 N ARG A 21 58.367 47.504 45.631 1.00 89.66 N
167
+ ATOM 167 NE ARG A 21 53.819 50.317 44.435 1.00 73.83 N
168
+ ATOM 168 NH1 ARG A 21 52.153 50.027 42.862 1.00 59.07 N
169
+ ATOM 169 NH2 ARG A 21 52.163 51.891 44.197 1.00 54.68 N
170
+ ATOM 170 O ARG A 21 56.476 44.811 46.038 1.00 87.85 O
171
+ ATOM 171 C SER A 22 57.238 43.444 49.065 1.00 93.25 C
172
+ ATOM 172 CA SER A 22 58.270 44.079 48.139 1.00 93.30 C
173
+ ATOM 173 CB SER A 22 59.644 44.063 48.809 1.00 90.64 C
174
+ ATOM 174 N SER A 22 57.892 45.442 47.780 1.00 92.49 N
175
+ ATOM 175 O SER A 22 57.323 42.254 49.377 1.00 91.57 O
176
+ ATOM 176 OG SER A 22 60.635 44.587 47.938 1.00 69.73 O
177
+ ATOM 177 C TRP A 23 54.081 43.183 49.664 1.00 94.94 C
178
+ ATOM 178 CA TRP A 23 55.304 43.673 50.433 1.00 95.11 C
179
+ ATOM 179 CB TRP A 23 54.887 44.728 51.461 1.00 94.37 C
180
+ ATOM 180 CD1 TRP A 23 56.799 46.114 52.469 1.00 84.34 C
181
+ ATOM 181 CD2 TRP A 23 56.270 44.279 53.639 1.00 85.44 C
182
+ ATOM 182 CE2 TRP A 23 57.329 44.945 54.295 1.00 86.44 C
183
+ ATOM 183 CE3 TRP A 23 55.767 43.094 54.192 1.00 85.91 C
184
+ ATOM 184 CG TRP A 23 55.947 45.045 52.474 1.00 90.66 C
185
+ ATOM 185 CH2 TRP A 23 57.382 43.303 55.999 1.00 85.38 C
186
+ ATOM 186 CZ2 TRP A 23 57.893 44.463 55.479 1.00 87.08 C
187
+ ATOM 187 CZ3 TRP A 23 56.329 42.617 55.369 1.00 86.15 C
188
+ ATOM 188 N TRP A 23 56.311 44.211 49.524 1.00 94.43 N
189
+ ATOM 189 NE1 TRP A 23 57.632 46.060 53.561 1.00 88.83 N
190
+ ATOM 190 O TRP A 23 53.480 43.939 48.897 1.00 94.28 O
191
+ ATOM 191 C LEU A 24 51.505 41.156 50.409 1.00 95.51 C
192
+ ATOM 192 CA LEU A 24 52.569 41.354 49.335 1.00 95.57 C
193
+ ATOM 193 CB LEU A 24 52.912 40.012 48.685 1.00 95.13 C
194
+ ATOM 194 CD1 LEU A 24 54.318 38.615 47.149 1.00 89.42 C
195
+ ATOM 195 CD2 LEU A 24 53.690 40.953 46.492 1.00 89.27 C
196
+ ATOM 196 CG LEU A 24 54.040 40.027 47.651 1.00 93.31 C
197
+ ATOM 197 N LEU A 24 53.766 41.971 49.898 1.00 95.41 N
198
+ ATOM 198 O LEU A 24 51.763 40.524 51.435 1.00 95.09 O
199
+ ATOM 199 C ALA A 25 48.411 40.275 50.478 1.00 95.32 C
200
+ ATOM 200 CA ALA A 25 49.195 41.461 51.034 1.00 95.32 C
201
+ ATOM 201 CB ALA A 25 48.297 42.692 51.130 1.00 94.77 C
202
+ ATOM 202 N ALA A 25 50.366 41.749 50.210 1.00 95.18 N
203
+ ATOM 203 O ALA A 25 48.038 40.267 49.303 1.00 94.91 O
204
+ ATOM 204 C VAL A 26 46.305 37.817 51.694 1.00 94.33 C
205
+ ATOM 205 CA VAL A 26 47.590 38.025 50.898 1.00 94.46 C
206
+ ATOM 206 CB VAL A 26 48.542 36.824 51.099 1.00 93.75 C
207
+ ATOM 207 CG1 VAL A 26 47.885 35.529 50.628 1.00 89.65 C
208
+ ATOM 208 CG2 VAL A 26 49.859 37.058 50.361 1.00 88.91 C
209
+ ATOM 209 N VAL A 26 48.219 39.281 51.293 1.00 94.39 N
210
+ ATOM 210 O VAL A 26 46.311 37.891 52.925 1.00 93.72 O
211
+ ATOM 211 C THR A 27 43.539 35.824 51.088 1.00 92.41 C
212
+ ATOM 212 CA THR A 27 43.985 37.190 51.598 1.00 92.99 C
213
+ ATOM 213 CB THR A 27 42.900 38.237 51.285 1.00 92.35 C
214
+ ATOM 214 CG2 THR A 27 41.507 37.689 51.578 1.00 88.66 C
215
+ ATOM 215 N THR A 27 45.268 37.568 51.014 1.00 92.95 N
216
+ ATOM 216 O THR A 27 43.567 35.565 49.883 1.00 91.40 O
217
+ ATOM 217 OG1 THR A 27 43.122 39.402 52.089 1.00 90.82 O
218
+ ATOM 218 C VAL A 28 41.125 33.582 52.194 1.00 90.00 C
219
+ ATOM 219 CA VAL A 28 42.574 33.669 51.720 1.00 90.32 C
220
+ ATOM 220 CB VAL A 28 43.411 32.537 52.358 1.00 89.12 C
221
+ ATOM 221 CG1 VAL A 28 42.891 31.169 51.923 1.00 82.44 C
222
+ ATOM 222 CG2 VAL A 28 44.886 32.693 51.989 1.00 81.51 C
223
+ ATOM 223 N VAL A 28 43.119 34.984 52.039 1.00 90.53 N
224
+ ATOM 224 O VAL A 28 40.830 33.845 53.362 1.00 88.91 O
225
+ ATOM 225 C ASP A 29 38.940 31.467 52.226 1.00 87.28 C
226
+ ATOM 226 CA ASP A 29 38.988 32.890 51.672 1.00 88.01 C
227
+ ATOM 227 CB ASP A 29 38.051 33.019 50.471 1.00 86.63 C
228
+ ATOM 228 CG ASP A 29 36.630 32.578 50.778 1.00 83.39 C
229
+ ATOM 229 N ASP A 29 40.351 33.263 51.302 1.00 88.11 N
230
+ ATOM 230 O ASP A 29 39.168 30.503 51.493 1.00 85.72 O
231
+ ATOM 231 OD1 ASP A 29 36.108 32.914 51.863 1.00 81.35 O
232
+ ATOM 232 OD2 ASP A 29 36.028 31.888 49.927 1.00 82.42 O
233
+ ATOM 233 C THR A 30 37.627 29.068 53.698 1.00 84.03 C
234
+ ATOM 234 CA THR A 30 38.679 30.071 54.165 1.00 84.36 C
235
+ ATOM 235 CB THR A 30 38.582 30.249 55.692 1.00 83.03 C
236
+ ATOM 236 CG2 THR A 30 39.668 31.186 56.207 1.00 76.67 C
237
+ ATOM 237 N THR A 30 38.521 31.345 53.473 1.00 85.09 N
238
+ ATOM 238 O THR A 30 37.750 27.868 53.954 1.00 81.99 O
239
+ ATOM 239 OG1 THR A 30 37.298 30.794 56.022 1.00 77.88 O
240
+ ATOM 240 C ALA A 31 35.992 28.046 51.199 1.00 81.36 C
241
+ ATOM 241 CA ALA A 31 35.598 28.614 52.560 1.00 81.00 C
242
+ ATOM 242 CB ALA A 31 34.252 29.327 52.465 1.00 79.57 C
243
+ ATOM 243 N ALA A 31 36.622 29.524 53.065 1.00 81.27 N
244
+ ATOM 244 O ALA A 31 35.914 26.834 50.979 1.00 80.05 O
245
+ ATOM 245 C SER A 32 38.251 28.275 48.668 1.00 83.12 C
246
+ ATOM 246 CA SER A 32 36.758 28.504 48.879 1.00 82.99 C
247
+ ATOM 247 CB SER A 32 36.252 29.561 47.896 1.00 81.88 C
248
+ ATOM 248 N SER A 32 36.473 28.905 50.253 1.00 82.99 N
249
+ ATOM 249 O SER A 32 38.657 27.671 47.672 1.00 82.00 O
250
+ ATOM 250 OG SER A 32 36.932 30.791 48.086 1.00 79.73 O
251
+ ATOM 251 C SER A 33 40.972 29.625 48.378 1.00 84.88 C
252
+ ATOM 252 CA SER A 33 40.451 28.680 49.455 1.00 84.34 C
253
+ ATOM 253 CB SER A 33 40.924 27.254 49.166 1.00 82.63 C
254
+ ATOM 254 N SER A 33 38.995 28.729 49.540 1.00 83.97 N
255
+ ATOM 255 O SER A 33 42.148 29.571 48.014 1.00 83.80 O
256
+ ATOM 256 OG SER A 33 40.553 26.379 50.217 1.00 77.88 O
257
+ ATOM 257 C ALA A 34 41.491 32.463 47.493 1.00 89.23 C
258
+ ATOM 258 CA ALA A 34 40.530 31.470 46.847 1.00 88.52 C
259
+ ATOM 259 CB ALA A 34 39.324 32.202 46.266 1.00 87.32 C
260
+ ATOM 260 N ALA A 34 40.097 30.458 47.807 1.00 88.12 N
261
+ ATOM 261 O ALA A 34 41.328 32.826 48.660 1.00 88.84 O
262
+ ATOM 262 C ILE A 35 43.511 35.070 46.378 1.00 91.56 C
263
+ ATOM 263 CA ILE A 35 43.510 33.780 47.194 1.00 91.23 C
264
+ ATOM 264 CB ILE A 35 44.897 33.100 47.122 1.00 89.84 C
265
+ ATOM 265 CD1 ILE A 35 46.186 31.019 47.877 1.00 76.73 C
266
+ ATOM 266 CG1 ILE A 35 44.938 31.874 48.042 1.00 80.42 C
267
+ ATOM 267 CG2 ILE A 35 46.004 34.094 47.485 1.00 79.27 C
268
+ ATOM 268 N ILE A 35 42.456 32.893 46.714 1.00 90.93 N
269
+ ATOM 269 O ILE A 35 43.385 35.037 45.151 1.00 90.92 O
270
+ ATOM 270 C VAL A 36 45.179 38.100 46.935 1.00 94.21 C
271
+ ATOM 271 CA VAL A 36 43.897 37.489 46.375 1.00 93.88 C
272
+ ATOM 272 CB VAL A 36 42.707 38.449 46.597 1.00 93.16 C
273
+ ATOM 273 CG1 VAL A 36 42.999 39.820 45.987 1.00 89.49 C
274
+ ATOM 274 CG2 VAL A 36 41.428 37.858 46.005 1.00 88.98 C
275
+ ATOM 275 N VAL A 36 43.659 36.188 46.992 1.00 93.63 N
276
+ ATOM 276 O VAL A 36 45.411 38.069 48.147 1.00 93.93 O
277
+ ATOM 277 C VAL A 37 47.393 40.590 45.841 1.00 94.89 C
278
+ ATOM 278 CA VAL A 37 47.249 39.193 46.441 1.00 95.10 C
279
+ ATOM 279 CB VAL A 37 48.412 38.290 45.973 1.00 94.35 C
280
+ ATOM 280 CG1 VAL A 37 49.744 38.794 46.528 1.00 87.80 C
281
+ ATOM 281 CG2 VAL A 37 48.167 36.843 46.397 1.00 87.02 C
282
+ ATOM 282 N VAL A 37 45.954 38.630 46.077 1.00 94.98 N
283
+ ATOM 283 O VAL A 37 47.053 40.809 44.676 1.00 94.25 O
284
+ ATOM 284 C THR A 38 49.711 43.220 46.547 1.00 95.51 C
285
+ ATOM 285 CA THR A 38 48.302 42.847 46.094 1.00 95.65 C
286
+ ATOM 286 CB THR A 38 47.306 43.921 46.569 1.00 95.21 C
287
+ ATOM 287 CG2 THR A 38 45.886 43.591 46.118 1.00 92.25 C
288
+ ATOM 288 N THR A 38 47.933 41.525 46.589 1.00 95.68 N
289
+ ATOM 289 O THR A 38 50.183 42.740 47.580 1.00 94.97 O
290
+ ATOM 290 OG1 THR A 38 47.336 43.993 47.999 1.00 92.88 O
291
+ ATOM 291 C GLN A 39 51.764 45.904 46.624 1.00 94.84 C
292
+ ATOM 292 CA GLN A 39 51.719 44.492 46.047 1.00 95.18 C
293
+ ATOM 293 CB GLN A 39 52.544 44.424 44.761 1.00 94.08 C
294
+ ATOM 294 CD GLN A 39 54.841 44.439 43.698 1.00 83.43 C
295
+ ATOM 295 CG GLN A 39 54.046 44.529 44.986 1.00 88.25 C
296
+ ATOM 296 N GLN A 39 50.345 44.070 45.798 1.00 95.19 N
297
+ ATOM 297 NE2 GLN A 39 56.111 44.065 43.809 1.00 80.03 N
298
+ ATOM 298 O GLN A 39 51.060 46.797 46.149 1.00 93.92 O
299
+ ATOM 299 OE1 GLN A 39 54.318 44.703 42.611 1.00 84.00 O
300
+ ATOM 300 C HIS A 40 54.173 47.678 48.602 1.00 94.51 C
301
+ ATOM 301 CA HIS A 40 52.720 47.343 48.282 1.00 95.14 C
302
+ ATOM 302 CB HIS A 40 51.886 47.344 49.564 1.00 94.83 C
303
+ ATOM 303 CD2 HIS A 40 49.723 45.936 49.307 1.00 91.10 C
304
+ ATOM 304 CE1 HIS A 40 48.324 47.580 48.925 1.00 90.84 C
305
+ ATOM 305 CG HIS A 40 50.430 47.090 49.334 1.00 93.76 C
306
+ ATOM 306 N HIS A 40 52.613 46.055 47.604 1.00 95.18 N
307
+ ATOM 307 ND1 HIS A 40 49.528 48.102 49.092 1.00 91.09 N
308
+ ATOM 308 NE2 HIS A 40 48.415 46.267 49.052 1.00 91.68 N
309
+ ATOM 309 O HIS A 40 55.011 46.781 48.716 1.00 93.37 O
310
+ ATOM 310 C GLY A 41 56.017 49.363 50.601 1.00 93.21 C
311
+ ATOM 311 CA GLY A 41 55.751 49.428 49.109 1.00 93.89 C
312
+ ATOM 312 N GLY A 41 54.423 48.959 48.744 1.00 94.11 N
313
+ ATOM 313 O GLY A 41 57.163 49.198 51.026 1.00 91.61 O
314
+ ATOM 314 C ARG A 42 53.819 48.741 53.445 1.00 94.09 C
315
+ ATOM 315 CA ARG A 42 55.027 49.455 52.849 1.00 93.72 C
316
+ ATOM 316 CB ARG A 42 55.116 50.881 53.396 1.00 91.93 C
317
+ ATOM 317 CD ARG A 42 56.431 53.021 53.577 1.00 78.74 C
318
+ ATOM 318 CG ARG A 42 56.373 51.626 52.974 1.00 82.01 C
319
+ ATOM 319 CZ ARG A 42 57.913 54.998 53.487 1.00 70.55 C
320
+ ATOM 320 N ARG A 42 54.962 49.467 51.391 1.00 93.63 N
321
+ ATOM 321 NE ARG A 42 57.622 53.746 53.145 1.00 75.43 N
322
+ ATOM 322 NH1 ARG A 42 57.101 55.693 54.276 1.00 63.59 N
323
+ ATOM 323 NH2 ARG A 42 59.025 55.562 53.037 1.00 58.80 N
324
+ ATOM 324 O ARG A 42 52.762 48.667 52.815 1.00 93.68 O
325
+ ATOM 325 C VAL A 43 52.294 48.888 56.226 1.00 93.60 C
326
+ ATOM 326 CA VAL A 43 52.976 47.776 55.432 1.00 94.25 C
327
+ ATOM 327 CB VAL A 43 53.462 46.661 56.385 1.00 93.13 C
328
+ ATOM 328 CG1 VAL A 43 52.286 46.053 57.148 1.00 88.39 C
329
+ ATOM 329 CG2 VAL A 43 54.211 45.583 55.605 1.00 87.57 C
330
+ ATOM 330 N VAL A 43 54.077 48.331 54.651 1.00 94.18 N
331
+ ATOM 331 O VAL A 43 52.837 49.372 57.221 1.00 92.17 O
332
+ ATOM 332 C THR A 44 48.973 50.149 56.418 1.00 95.09 C
333
+ ATOM 333 CA THR A 44 50.457 50.494 56.348 1.00 94.91 C
334
+ ATOM 334 CB THR A 44 50.644 51.816 55.581 1.00 94.29 C
335
+ ATOM 335 CG2 THR A 44 52.122 52.172 55.451 1.00 90.94 C
336
+ ATOM 336 N THR A 44 51.212 49.412 55.728 1.00 94.81 N
337
+ ATOM 337 O THR A 44 48.514 49.221 55.748 1.00 94.75 O
338
+ ATOM 338 OG1 THR A 44 50.077 51.686 54.272 1.00 91.78 O
339
+ ATOM 339 C SER A 45 46.140 50.985 55.913 1.00 94.88 C
340
+ ATOM 340 CA SER A 45 46.778 50.732 57.274 1.00 94.92 C
341
+ ATOM 341 CB SER A 45 46.177 51.679 58.313 1.00 93.89 C
342
+ ATOM 342 N SER A 45 48.228 50.890 57.216 1.00 94.75 N
343
+ ATOM 343 O SER A 45 45.207 50.282 55.519 1.00 94.36 O
344
+ ATOM 344 OG SER A 45 46.625 51.347 59.615 1.00 79.21 O
345
+ ATOM 345 C VAL A 46 46.407 51.117 52.923 1.00 95.24 C
346
+ ATOM 346 CA VAL A 46 46.185 52.287 53.877 1.00 95.08 C
347
+ ATOM 347 CB VAL A 46 46.862 53.561 53.324 1.00 94.20 C
348
+ ATOM 348 CG1 VAL A 46 46.469 53.793 51.867 1.00 88.22 C
349
+ ATOM 349 CG2 VAL A 46 46.496 54.773 54.179 1.00 87.33 C
350
+ ATOM 350 N VAL A 46 46.686 51.946 55.204 1.00 94.98 N
351
+ ATOM 351 O VAL A 46 45.527 50.779 52.127 1.00 94.88 O
352
+ ATOM 352 C ALA A 47 46.858 48.174 52.477 1.00 96.06 C
353
+ ATOM 353 CA ALA A 47 47.830 49.316 52.193 1.00 95.89 C
354
+ ATOM 354 CB ALA A 47 49.269 48.847 52.396 1.00 95.40 C
355
+ ATOM 355 N ALA A 47 47.546 50.470 53.042 1.00 95.67 N
356
+ ATOM 356 O ALA A 47 46.358 47.532 51.551 1.00 95.84 O
357
+ ATOM 357 C ALA A 48 44.263 47.220 53.621 1.00 96.09 C
358
+ ATOM 358 CA ALA A 48 45.655 46.911 54.166 1.00 96.02 C
359
+ ATOM 359 CB ALA A 48 45.607 46.765 55.686 1.00 95.52 C
360
+ ATOM 360 N ALA A 48 46.610 47.947 53.784 1.00 95.89 N
361
+ ATOM 361 O ALA A 48 43.598 46.343 53.065 1.00 95.81 O
362
+ ATOM 362 C GLN A 49 42.386 48.733 51.721 1.00 96.13 C
363
+ ATOM 363 CA GLN A 49 42.483 48.858 53.239 1.00 96.23 C
364
+ ATOM 364 CB GLN A 49 42.182 50.294 53.668 1.00 95.82 C
365
+ ATOM 365 CD GLN A 49 42.021 51.916 55.605 1.00 91.50 C
366
+ ATOM 366 CG GLN A 49 42.001 50.463 55.170 1.00 94.13 C
367
+ ATOM 367 N GLN A 49 43.798 48.445 53.718 1.00 96.16 N
368
+ ATOM 368 NE2 GLN A 49 42.367 52.153 56.866 1.00 91.39 N
369
+ ATOM 369 O GLN A 49 41.377 48.258 51.196 1.00 95.71 O
370
+ ATOM 370 OE1 GLN A 49 41.729 52.819 54.814 1.00 91.09 O
371
+ ATOM 371 C HIS A 50 43.380 47.511 49.205 1.00 96.28 C
372
+ ATOM 372 CA HIS A 50 43.462 48.981 49.606 1.00 96.14 C
373
+ ATOM 373 CB HIS A 50 44.734 49.610 49.036 1.00 94.96 C
374
+ ATOM 374 CD2 HIS A 50 44.357 50.369 46.584 1.00 67.27 C
375
+ ATOM 375 CE1 HIS A 50 45.377 48.706 45.582 1.00 62.61 C
376
+ ATOM 376 CG HIS A 50 44.825 49.537 47.545 1.00 81.21 C
377
+ ATOM 377 N HIS A 50 43.420 49.135 51.055 1.00 96.19 N
378
+ ATOM 378 ND1 HIS A 50 45.458 48.505 46.887 1.00 63.28 N
379
+ ATOM 379 NE2 HIS A 50 44.713 49.830 45.373 1.00 61.48 N
380
+ ATOM 380 O HIS A 50 42.661 47.158 48.266 1.00 95.88 O
381
+ ATOM 381 C HIS A 51 42.683 44.700 49.824 1.00 96.00 C
382
+ ATOM 382 CA HIS A 51 44.084 45.270 49.627 1.00 96.04 C
383
+ ATOM 383 CB HIS A 51 45.079 44.538 50.528 1.00 95.91 C
384
+ ATOM 384 CD2 HIS A 51 44.692 42.102 51.329 1.00 94.52 C
385
+ ATOM 385 CE1 HIS A 51 45.146 41.077 49.446 1.00 93.88 C
386
+ ATOM 386 CG HIS A 51 45.008 43.049 50.415 1.00 95.62 C
387
+ ATOM 387 N HIS A 51 44.111 46.703 49.892 1.00 95.86 N
388
+ ATOM 388 ND1 HIS A 51 45.289 42.377 49.245 1.00 94.30 N
389
+ ATOM 389 NE2 HIS A 51 44.784 40.884 50.703 1.00 94.05 N
390
+ ATOM 390 O HIS A 51 42.171 43.985 48.960 1.00 95.67 O
391
+ ATOM 391 C TRP A 52 39.660 45.000 50.206 1.00 95.10 C
392
+ ATOM 392 CA TRP A 52 40.693 44.468 51.194 1.00 95.66 C
393
+ ATOM 393 CB TRP A 52 40.275 44.819 52.626 1.00 95.33 C
394
+ ATOM 394 CD1 TRP A 52 41.540 42.825 53.631 1.00 91.00 C
395
+ ATOM 395 CD2 TRP A 52 41.462 44.632 54.952 1.00 91.20 C
396
+ ATOM 396 CE2 TRP A 52 42.179 43.614 55.619 1.00 92.11 C
397
+ ATOM 397 CE3 TRP A 52 41.284 45.866 55.590 1.00 92.42 C
398
+ ATOM 398 CG TRP A 52 41.064 44.106 53.682 1.00 94.23 C
399
+ ATOM 399 CH2 TRP A 52 42.529 45.011 57.497 1.00 90.28 C
400
+ ATOM 400 CZ2 TRP A 52 42.718 43.795 56.895 1.00 91.29 C
401
+ ATOM 401 CZ3 TRP A 52 41.821 46.044 56.859 1.00 90.96 C
402
+ ATOM 402 N TRP A 52 42.019 45.000 50.902 1.00 95.45 N
403
+ ATOM 403 NE1 TRP A 52 42.212 42.524 54.793 1.00 92.81 N
404
+ ATOM 404 O TRP A 52 38.735 44.282 49.817 1.00 94.07 O
405
+ ATOM 405 C ALA A 53 39.065 45.994 47.460 1.00 95.04 C
406
+ ATOM 406 CA ALA A 53 38.908 46.765 48.768 1.00 95.27 C
407
+ ATOM 407 CB ALA A 53 39.175 48.251 48.540 1.00 94.67 C
408
+ ATOM 408 N ALA A 53 39.800 46.240 49.797 1.00 95.36 N
409
+ ATOM 409 O ALA A 53 38.074 45.664 46.804 1.00 94.41 O
410
+ ATOM 410 C THR A 54 39.987 43.472 46.075 1.00 94.62 C
411
+ ATOM 411 CA THR A 54 40.555 44.878 45.913 1.00 94.68 C
412
+ ATOM 412 CB THR A 54 42.065 44.794 45.623 1.00 94.01 C
413
+ ATOM 413 CG2 THR A 54 42.343 43.932 44.396 1.00 88.40 C
414
+ ATOM 414 N THR A 54 40.288 45.683 47.099 1.00 94.72 N
415
+ ATOM 415 O THR A 54 39.364 42.938 45.155 1.00 94.00 O
416
+ ATOM 416 OG1 THR A 54 42.575 46.113 45.391 1.00 90.25 O
417
+ ATOM 417 C ALA A 55 38.155 41.501 47.509 1.00 93.23 C
418
+ ATOM 418 CA ALA A 55 39.681 41.541 47.530 1.00 93.77 C
419
+ ATOM 419 CB ALA A 55 40.206 41.026 48.867 1.00 93.37 C
420
+ ATOM 420 N ALA A 55 40.174 42.892 47.275 1.00 93.78 N
421
+ ATOM 421 O ALA A 55 37.560 40.524 47.048 1.00 92.16 O
422
+ ATOM 422 C ILE A 56 35.605 42.700 46.552 1.00 91.90 C
423
+ ATOM 423 CA ILE A 56 36.100 42.638 47.995 1.00 92.51 C
424
+ ATOM 424 CB ILE A 56 35.598 43.867 48.786 1.00 92.11 C
425
+ ATOM 425 CD1 ILE A 56 35.550 44.879 51.140 1.00 89.27 C
426
+ ATOM 426 CG1 ILE A 56 35.746 43.628 50.294 1.00 90.76 C
427
+ ATOM 427 CG2 ILE A 56 34.146 44.188 48.423 1.00 90.31 C
428
+ ATOM 428 N ILE A 56 37.555 42.548 48.015 1.00 92.59 N
429
+ ATOM 429 O ILE A 56 34.602 42.072 46.205 1.00 90.82 O
430
+ ATOM 430 C ALA A 57 35.977 42.163 43.591 1.00 90.32 C
431
+ ATOM 431 CA ALA A 57 35.903 43.518 44.290 1.00 91.07 C
432
+ ATOM 432 CB ALA A 57 36.783 44.535 43.567 1.00 90.03 C
433
+ ATOM 433 N ALA A 57 36.300 43.408 45.692 1.00 91.43 N
434
+ ATOM 434 O ALA A 57 35.219 41.899 42.654 1.00 88.89 O
435
+ ATOM 435 C VAL A 58 36.165 38.928 44.072 1.00 88.55 C
436
+ ATOM 436 CA VAL A 58 37.019 40.013 43.420 1.00 89.21 C
437
+ ATOM 437 CB VAL A 58 38.511 39.617 43.468 1.00 87.90 C
438
+ ATOM 438 CG1 VAL A 58 38.721 38.229 42.867 1.00 81.83 C
439
+ ATOM 439 CG2 VAL A 58 39.362 40.655 42.736 1.00 79.96 C
440
+ ATOM 440 N VAL A 58 36.781 41.292 44.081 1.00 89.53 N
441
+ ATOM 441 O VAL A 58 35.540 38.121 43.380 1.00 87.06 O
442
+ ATOM 442 C LEU A 59 34.202 38.170 46.704 1.00 87.66 C
443
+ ATOM 443 CA LEU A 59 35.561 37.817 46.107 1.00 88.27 C
444
+ ATOM 444 CB LEU A 59 36.513 37.357 47.214 1.00 87.64 C
445
+ ATOM 445 CD1 LEU A 59 38.742 36.495 47.970 1.00 84.54 C
446
+ ATOM 446 CD2 LEU A 59 37.730 35.648 45.837 1.00 84.70 C
447
+ ATOM 447 CG LEU A 59 37.883 36.851 46.762 1.00 86.67 C
448
+ ATOM 448 N LEU A 59 36.123 38.955 45.389 1.00 88.44 N
449
+ ATOM 449 O LEU A 59 33.464 37.285 47.143 1.00 86.21 O
450
+ ATOM 450 C GLY A 60 33.004 40.209 48.901 1.00 88.80 C
451
+ ATOM 451 CA GLY A 60 32.706 39.912 47.443 1.00 88.56 C
452
+ ATOM 452 N GLY A 60 33.873 39.464 46.701 1.00 88.45 N
453
+ ATOM 453 O GLY A 60 34.072 39.855 49.406 1.00 87.95 O
454
+ ATOM 454 C ARG A 61 32.276 40.147 51.865 1.00 89.91 C
455
+ ATOM 455 CA ARG A 61 32.295 41.329 50.902 1.00 89.85 C
456
+ ATOM 456 CB ARG A 61 31.216 42.340 51.293 1.00 88.61 C
457
+ ATOM 457 CD ARG A 61 30.246 43.843 53.068 1.00 83.36 C
458
+ ATOM 458 CG ARG A 61 31.417 42.956 52.669 1.00 85.48 C
459
+ ATOM 459 CZ ARG A 61 28.588 42.844 54.606 1.00 77.30 C
460
+ ATOM 460 N ARG A 61 32.108 40.886 49.524 1.00 89.72 N
461
+ ATOM 461 NE ARG A 61 29.056 43.056 53.379 1.00 78.37 N
462
+ ATOM 462 NH1 ARG A 61 29.203 43.357 55.664 1.00 64.28 N
463
+ ATOM 463 NH2 ARG A 61 27.496 42.113 54.775 1.00 61.80 N
464
+ ATOM 464 O ARG A 61 31.332 39.354 51.865 1.00 89.03 O
465
+ ATOM 465 C PRO A 62 32.471 39.272 54.967 1.00 89.94 C
466
+ ATOM 466 CA PRO A 62 33.292 38.914 53.730 1.00 90.25 C
467
+ ATOM 467 CB PRO A 62 34.774 38.761 54.083 1.00 89.88 C
468
+ ATOM 468 CD PRO A 62 34.669 40.830 52.808 1.00 88.23 C
469
+ ATOM 469 CG PRO A 62 35.340 40.139 53.960 1.00 89.54 C
470
+ ATOM 470 N PRO A 62 33.293 39.980 52.726 1.00 90.09 N
471
+ ATOM 471 O PRO A 62 32.213 40.450 55.223 1.00 89.05 O
472
+ ATOM 472 C LYS A 63 32.574 39.004 58.111 1.00 89.52 C
473
+ ATOM 473 CA LYS A 63 31.543 38.520 57.095 1.00 88.80 C
474
+ ATOM 474 CB LYS A 63 30.880 37.235 57.596 1.00 87.03 C
475
+ ATOM 475 CD LYS A 63 29.022 35.553 57.359 1.00 74.88 C
476
+ ATOM 476 CE LYS A 63 27.823 35.111 56.530 1.00 65.28 C
477
+ ATOM 477 CG LYS A 63 29.665 36.810 56.785 1.00 79.17 C
478
+ ATOM 478 N LYS A 63 32.154 38.305 55.787 1.00 88.91 N
479
+ ATOM 479 NZ LYS A 63 27.248 33.827 57.033 1.00 56.84 N
480
+ ATOM 480 O LYS A 63 32.275 39.859 58.947 1.00 88.85 O
481
+ ATOM 481 C ALA A 64 36.151 38.577 58.296 1.00 90.17 C
482
+ ATOM 482 CA ALA A 64 34.769 38.728 58.925 1.00 89.62 C
483
+ ATOM 483 CB ALA A 64 34.645 37.829 60.152 1.00 88.54 C
484
+ ATOM 484 N ALA A 64 33.716 38.422 57.960 1.00 89.37 N
485
+ ATOM 485 O ALA A 64 36.336 37.778 57.374 1.00 89.74 O
486
+ ATOM 486 C ILE A 65 39.298 39.003 59.698 1.00 90.70 C
487
+ ATOM 487 CA ILE A 65 38.488 39.291 58.437 1.00 91.16 C
488
+ ATOM 488 CB ILE A 65 38.996 40.584 57.757 1.00 90.95 C
489
+ ATOM 489 CD1 ILE A 65 38.571 42.154 55.778 1.00 90.25 C
490
+ ATOM 490 CG1 ILE A 65 38.257 40.817 56.434 1.00 90.48 C
491
+ ATOM 491 CG2 ILE A 65 40.509 40.518 57.536 1.00 90.16 C
492
+ ATOM 492 N ILE A 65 37.071 39.386 58.771 1.00 91.05 N
493
+ ATOM 493 O ILE A 65 39.112 39.656 60.727 1.00 89.74 O
494
+ ATOM 494 C LYS A 66 42.483 38.052 60.260 1.00 88.69 C
495
+ ATOM 495 CA LYS A 66 41.056 37.685 60.657 1.00 88.13 C
496
+ ATOM 496 CB LYS A 66 40.970 36.192 60.980 1.00 86.34 C
497
+ ATOM 497 CD LYS A 66 39.619 34.286 61.918 1.00 75.73 C
498
+ ATOM 498 CE LYS A 66 38.266 33.851 62.465 1.00 66.59 C
499
+ ATOM 499 CG LYS A 66 39.604 35.745 61.480 1.00 79.18 C
500
+ ATOM 500 N LYS A 66 40.109 38.036 59.603 1.00 88.30 N
501
+ ATOM 501 NZ LYS A 66 38.295 32.442 62.958 1.00 58.63 N
502
+ ATOM 502 O LYS A 66 42.920 37.753 59.147 1.00 88.00 O
503
+ ATOM 503 C THR A 67 45.361 38.807 62.230 1.00 87.68 C
504
+ ATOM 504 CA THR A 67 44.552 39.077 60.963 1.00 88.95 C
505
+ ATOM 505 CB THR A 67 44.690 40.559 60.569 1.00 88.32 C
506
+ ATOM 506 CG2 THR A 67 43.816 40.891 59.364 1.00 86.43 C
507
+ ATOM 507 N THR A 67 43.153 38.708 61.155 1.00 89.00 N
508
+ ATOM 508 O THR A 67 44.801 38.432 63.261 1.00 85.70 O
509
+ ATOM 509 OG1 THR A 67 44.292 41.381 61.673 1.00 88.77 O
510
+ ATOM 510 C ASP A 68 47.244 40.440 64.052 1.00 83.79 C
511
+ ATOM 511 CA ASP A 68 47.445 39.087 63.374 1.00 83.33 C
512
+ ATOM 512 CB ASP A 68 48.931 38.856 63.091 1.00 81.52 C
513
+ ATOM 513 CG ASP A 68 49.559 39.971 62.272 1.00 76.18 C
514
+ ATOM 514 N ASP A 68 46.670 38.997 62.141 1.00 83.76 N
515
+ ATOM 515 O ASP A 68 46.405 41.236 63.625 1.00 82.17 O
516
+ ATOM 516 OD1 ASP A 68 48.857 40.946 61.930 1.00 71.78 O
517
+ ATOM 517 OD2 ASP A 68 50.767 39.871 61.965 1.00 73.74 O
518
+ ATOM 518 C ASN A 69 48.762 43.090 65.279 1.00 82.38 C
519
+ ATOM 519 CA ASN A 69 47.912 41.966 65.862 1.00 82.35 C
520
+ ATOM 520 CB ASN A 69 48.266 41.739 67.333 1.00 77.50 C
521
+ ATOM 521 CG ASN A 69 47.200 40.959 68.077 1.00 69.85 C
522
+ ATOM 522 N ASN A 69 48.064 40.730 65.101 1.00 81.32 N
523
+ ATOM 523 ND2 ASN A 69 47.626 40.104 68.999 1.00 65.28 N
524
+ ATOM 524 O ASN A 69 49.193 43.989 66.004 1.00 79.21 O
525
+ ATOM 525 OD1 ASN A 69 46.004 41.124 67.825 1.00 65.66 O
526
+ ATOM 526 C GLY A 70 49.175 45.436 63.539 1.00 86.13 C
527
+ ATOM 527 CA GLY A 70 49.851 44.080 63.470 1.00 84.25 C
528
+ ATOM 528 N GLY A 70 49.070 43.019 64.086 1.00 83.63 N
529
+ ATOM 529 O GLY A 70 47.952 45.533 63.422 1.00 85.48 O
530
+ ATOM 530 C SER A 71 48.630 48.332 62.691 1.00 89.41 C
531
+ ATOM 531 CA SER A 71 49.442 47.856 63.890 1.00 88.93 C
532
+ ATOM 532 CB SER A 71 50.601 48.820 64.148 1.00 86.21 C
533
+ ATOM 533 N SER A 71 49.940 46.500 63.688 1.00 88.28 N
534
+ ATOM 534 O SER A 71 47.678 49.099 62.844 1.00 88.12 O
535
+ ATOM 535 OG SER A 71 51.520 48.801 63.069 1.00 73.00 O
536
+ ATOM 536 C CYS A 72 46.822 47.792 60.338 1.00 92.28 C
537
+ ATOM 537 CA CYS A 72 48.245 48.338 60.326 1.00 92.22 C
538
+ ATOM 538 CB CYS A 72 48.966 47.882 59.058 1.00 90.09 C
539
+ ATOM 539 N CYS A 72 48.978 47.912 61.513 1.00 91.36 N
540
+ ATOM 540 O CYS A 72 45.924 48.374 59.729 1.00 91.00 O
541
+ ATOM 541 SG CYS A 72 49.158 46.091 58.934 1.00 86.80 S
542
+ ATOM 542 C PHE A 73 44.432 46.562 62.328 1.00 91.47 C
543
+ ATOM 543 CA PHE A 73 45.257 46.047 61.156 1.00 92.44 C
544
+ ATOM 544 CB PHE A 73 45.408 44.526 61.248 1.00 91.95 C
545
+ ATOM 545 CD1 PHE A 73 45.595 44.171 58.764 1.00 89.93 C
546
+ ATOM 546 CD2 PHE A 73 47.157 43.061 60.193 1.00 89.89 C
547
+ ATOM 547 CE1 PHE A 73 46.202 43.599 57.648 1.00 90.25 C
548
+ ATOM 548 CE2 PHE A 73 47.770 42.486 59.084 1.00 90.50 C
549
+ ATOM 549 CG PHE A 73 46.067 43.907 60.045 1.00 91.86 C
550
+ ATOM 550 CZ PHE A 73 47.290 42.756 57.812 1.00 90.00 C
551
+ ATOM 551 N PHE A 73 46.565 46.692 61.119 1.00 91.94 N
552
+ ATOM 552 O PHE A 73 43.205 46.441 62.332 1.00 89.76 O
553
+ ATOM 553 C THR A 74 44.320 48.972 64.769 1.00 90.24 C
554
+ ATOM 554 CA THR A 74 44.443 47.460 64.599 1.00 90.57 C
555
+ ATOM 555 CB THR A 74 45.180 46.863 65.812 1.00 88.72 C
556
+ ATOM 556 CG2 THR A 74 45.186 45.339 65.756 1.00 81.46 C
557
+ ATOM 557 N THR A 74 45.126 47.134 63.352 1.00 90.67 N
558
+ ATOM 558 O THR A 74 43.765 49.447 65.761 1.00 88.55 O
559
+ ATOM 559 OG1 THR A 74 46.533 47.335 65.822 1.00 83.20 O
560
+ ATOM 560 C SER A 75 43.242 51.676 63.815 1.00 93.19 C
561
+ ATOM 561 CA SER A 75 44.693 51.206 63.832 1.00 92.74 C
562
+ ATOM 562 CB SER A 75 45.453 51.830 62.661 1.00 91.82 C
563
+ ATOM 563 N SER A 75 44.778 49.751 63.779 1.00 92.59 N
564
+ ATOM 564 O SER A 75 42.357 50.957 63.346 1.00 92.78 O
565
+ ATOM 565 OG SER A 75 44.791 51.570 61.435 1.00 86.15 O
566
+ ATOM 566 C LYS A 76 41.169 53.560 62.916 1.00 93.70 C
567
+ ATOM 567 CA LYS A 76 41.728 53.459 64.332 1.00 93.58 C
568
+ ATOM 568 CB LYS A 76 41.760 54.844 64.983 1.00 92.61 C
569
+ ATOM 569 CD LYS A 76 40.493 56.884 65.736 1.00 85.79 C
570
+ ATOM 570 CE LYS A 76 39.176 57.643 65.655 1.00 81.95 C
571
+ ATOM 571 CG LYS A 76 40.405 55.534 65.037 1.00 88.54 C
572
+ ATOM 572 N LYS A 76 43.060 52.862 64.331 1.00 93.41 N
573
+ ATOM 573 NZ LYS A 76 39.282 59.004 66.263 1.00 78.40 N
574
+ ATOM 574 O LYS A 76 40.009 53.218 62.675 1.00 93.14 O
575
+ ATOM 575 C SER A 77 41.080 52.817 60.067 1.00 93.73 C
576
+ ATOM 576 CA SER A 77 41.543 54.152 60.639 1.00 93.26 C
577
+ ATOM 577 CB SER A 77 42.681 54.714 59.787 1.00 91.82 C
578
+ ATOM 578 N SER A 77 41.967 54.012 62.030 1.00 93.07 N
579
+ ATOM 579 O SER A 77 40.084 52.759 59.342 1.00 93.30 O
580
+ ATOM 580 OG SER A 77 43.757 53.794 59.712 1.00 80.26 O
581
+ ATOM 581 C THR A 78 40.041 49.980 60.539 1.00 94.48 C
582
+ ATOM 582 CA THR A 78 41.362 50.425 59.920 1.00 94.52 C
583
+ ATOM 583 CB THR A 78 42.452 49.381 60.223 1.00 93.62 C
584
+ ATOM 584 CG2 THR A 78 42.003 47.982 59.816 1.00 87.94 C
585
+ ATOM 585 N THR A 78 41.743 51.746 60.408 1.00 94.42 N
586
+ ATOM 586 O THR A 78 39.170 49.453 59.846 1.00 93.82 O
587
+ ATOM 587 OG1 THR A 78 43.643 49.718 59.500 1.00 88.80 O
588
+ ATOM 588 C ARG A 79 37.422 50.593 61.905 1.00 94.25 C
589
+ ATOM 589 CA ARG A 79 38.609 49.846 62.504 1.00 94.21 C
590
+ ATOM 590 CB ARG A 79 38.704 50.131 64.005 1.00 92.50 C
591
+ ATOM 591 CD ARG A 79 39.452 49.321 66.269 1.00 78.61 C
592
+ ATOM 592 CG ARG A 79 39.590 49.155 64.762 1.00 82.76 C
593
+ ATOM 593 CZ ARG A 79 41.039 50.787 67.474 1.00 69.47 C
594
+ ATOM 594 N ARG A 79 39.852 50.213 61.834 1.00 94.19 N
595
+ ATOM 595 NE ARG A 79 39.958 50.615 66.717 1.00 74.96 N
596
+ ATOM 596 NH1 ARG A 79 41.751 49.744 67.885 1.00 61.22 N
597
+ ATOM 597 NH2 ARG A 79 41.410 52.009 67.825 1.00 56.27 N
598
+ ATOM 598 O ARG A 79 36.365 50.004 61.673 1.00 93.61 O
599
+ ATOM 599 C GLU A 80 36.238 52.204 59.591 1.00 95.44 C
600
+ ATOM 600 CA GLU A 80 36.553 52.667 61.011 1.00 95.34 C
601
+ ATOM 601 CB GLU A 80 36.938 54.148 61.009 1.00 94.55 C
602
+ ATOM 602 CD GLU A 80 37.411 56.228 62.388 1.00 87.87 C
603
+ ATOM 603 CG GLU A 80 36.899 54.796 62.384 1.00 90.76 C
604
+ ATOM 604 N GLU A 80 37.616 51.861 61.606 1.00 95.22 N
605
+ ATOM 605 O GLU A 80 35.073 52.150 59.195 1.00 95.12 O
606
+ ATOM 606 OE1 GLU A 80 37.935 56.688 61.349 1.00 87.20 O
607
+ ATOM 607 OE2 GLU A 80 37.287 56.895 63.439 1.00 86.44 O
608
+ ATOM 608 C TRP A 81 36.284 50.068 57.548 1.00 95.65 C
609
+ ATOM 609 CA TRP A 81 37.095 51.360 57.549 1.00 95.84 C
610
+ ATOM 610 CB TRP A 81 38.449 51.127 56.871 1.00 95.50 C
611
+ ATOM 611 CD1 TRP A 81 38.418 51.636 54.355 1.00 91.09 C
612
+ ATOM 612 CD2 TRP A 81 38.152 49.472 54.864 1.00 91.31 C
613
+ ATOM 613 CE2 TRP A 81 38.116 49.614 53.459 1.00 92.13 C
614
+ ATOM 614 CE3 TRP A 81 38.007 48.194 55.421 1.00 91.99 C
615
+ ATOM 615 CG TRP A 81 38.347 50.777 55.417 1.00 93.96 C
616
+ ATOM 616 CH2 TRP A 81 37.798 47.285 53.174 1.00 90.44 C
617
+ ATOM 617 CZ2 TRP A 81 37.938 48.524 52.603 1.00 91.11 C
618
+ ATOM 618 CZ3 TRP A 81 37.830 47.111 54.567 1.00 90.91 C
619
+ ATOM 619 N TRP A 81 37.283 51.856 58.909 1.00 95.49 N
620
+ ATOM 620 NE1 TRP A 81 38.280 50.942 53.175 1.00 92.30 N
621
+ ATOM 621 O TRP A 81 35.328 49.929 56.780 1.00 94.96 O
622
+ ATOM 622 C LEU A 82 34.423 48.058 58.966 1.00 95.01 C
623
+ ATOM 623 CA LEU A 82 35.865 47.866 58.507 1.00 95.28 C
624
+ ATOM 624 CB LEU A 82 36.601 46.936 59.473 1.00 94.93 C
625
+ ATOM 625 CD1 LEU A 82 38.704 45.735 60.125 1.00 92.13 C
626
+ ATOM 626 CD2 LEU A 82 37.636 45.275 57.900 1.00 91.73 C
627
+ ATOM 627 CG LEU A 82 37.912 46.331 58.967 1.00 94.03 C
628
+ ATOM 628 N LEU A 82 36.553 49.148 58.407 1.00 95.09 N
629
+ ATOM 629 O LEU A 82 33.514 47.391 58.466 1.00 94.42 O
630
+ ATOM 630 C ALA A 83 32.019 49.830 59.250 1.00 94.62 C
631
+ ATOM 631 CA ALA A 83 32.904 49.305 60.377 1.00 94.77 C
632
+ ATOM 632 CB ALA A 83 32.971 50.322 61.514 1.00 93.72 C
633
+ ATOM 633 N ALA A 83 34.246 48.996 59.891 1.00 94.92 N
634
+ ATOM 634 O ALA A 83 30.853 49.443 59.135 1.00 93.93 O
635
+ ATOM 635 C ARG A 84 31.365 50.099 56.232 1.00 94.54 C
636
+ ATOM 636 CA ARG A 84 31.810 51.203 57.185 1.00 94.53 C
637
+ ATOM 637 CB ARG A 84 32.652 52.238 56.434 1.00 92.22 C
638
+ ATOM 638 CD ARG A 84 33.440 54.624 56.276 1.00 72.70 C
639
+ ATOM 639 CG ARG A 84 32.763 53.575 57.148 1.00 77.87 C
640
+ ATOM 640 CZ ARG A 84 35.669 54.981 55.269 1.00 65.40 C
641
+ ATOM 641 N ARG A 84 32.559 50.653 58.311 1.00 94.95 N
642
+ ATOM 642 NE ARG A 84 34.871 54.373 56.142 1.00 68.80 N
643
+ ATOM 643 NH1 ARG A 84 35.188 55.892 54.432 1.00 55.96 N
644
+ ATOM 644 NH2 ARG A 84 36.959 54.675 55.233 1.00 49.75 N
645
+ ATOM 645 O ARG A 84 30.286 50.179 55.642 1.00 93.50 O
646
+ ATOM 646 C TRP A 85 31.084 46.924 55.946 1.00 91.96 C
647
+ ATOM 647 CA TRP A 85 31.906 48.008 55.255 1.00 93.18 C
648
+ ATOM 648 CB TRP A 85 33.201 47.407 54.699 1.00 92.29 C
649
+ ATOM 649 CD1 TRP A 85 34.690 49.254 53.719 1.00 83.94 C
650
+ ATOM 650 CD2 TRP A 85 33.602 48.033 52.189 1.00 84.48 C
651
+ ATOM 651 CE2 TRP A 85 34.379 49.007 51.522 1.00 86.24 C
652
+ ATOM 652 CE3 TRP A 85 32.829 47.146 51.429 1.00 82.66 C
653
+ ATOM 653 CG TRP A 85 33.817 48.209 53.592 1.00 89.00 C
654
+ ATOM 654 CH2 TRP A 85 33.637 48.237 49.411 1.00 82.41 C
655
+ ATOM 655 CZ2 TRP A 85 34.404 49.118 50.129 1.00 83.57 C
656
+ ATOM 656 CZ3 TRP A 85 32.854 47.258 50.043 1.00 82.71 C
657
+ ATOM 657 N TRP A 85 32.203 49.102 56.176 1.00 93.03 N
658
+ ATOM 658 NE1 TRP A 85 35.032 49.738 52.478 1.00 84.51 N
659
+ ATOM 659 O TRP A 85 30.656 45.960 55.306 1.00 89.61 O
660
+ ATOM 660 C GLY A 86 30.831 44.732 58.031 1.00 91.40 C
661
+ ATOM 661 CA GLY A 86 30.105 46.062 57.944 1.00 91.56 C
662
+ ATOM 662 N GLY A 86 30.844 47.070 57.200 1.00 91.72 N
663
+ ATOM 663 O GLY A 86 30.209 43.673 57.944 1.00 90.10 O
664
+ ATOM 664 C ILE A 87 33.496 43.425 59.700 1.00 92.39 C
665
+ ATOM 665 CA ILE A 87 32.956 43.588 58.281 1.00 92.61 C
666
+ ATOM 666 CB ILE A 87 34.121 43.656 57.269 1.00 92.24 C
667
+ ATOM 667 CD1 ILE A 87 34.635 44.055 54.790 1.00 89.93 C
668
+ ATOM 668 CG1 ILE A 87 33.580 43.719 55.836 1.00 91.14 C
669
+ ATOM 669 CG2 ILE A 87 35.062 42.461 57.446 1.00 90.72 C
670
+ ATOM 670 N ILE A 87 32.115 44.778 58.208 1.00 92.39 N
671
+ ATOM 671 O ILE A 87 34.094 44.350 60.255 1.00 91.54 O
672
+ ATOM 672 C ALA A 88 35.276 41.739 61.507 1.00 90.66 C
673
+ ATOM 673 CA ALA A 88 33.777 42.006 61.611 1.00 90.60 C
674
+ ATOM 674 CB ALA A 88 33.068 40.805 62.231 1.00 89.46 C
675
+ ATOM 675 N ALA A 88 33.207 42.313 60.302 1.00 90.60 N
676
+ ATOM 676 O ALA A 88 35.746 41.185 60.511 1.00 89.82 O
677
+ ATOM 677 C HIS A 89 37.889 41.330 63.860 1.00 88.60 C
678
+ ATOM 678 CA HIS A 89 37.433 41.972 62.553 1.00 89.87 C
679
+ ATOM 679 CB HIS A 89 38.157 43.303 62.343 1.00 89.15 C
680
+ ATOM 680 CD2 HIS A 89 40.485 42.344 61.724 1.00 86.61 C
681
+ ATOM 681 CE1 HIS A 89 41.710 43.676 62.962 1.00 87.19 C
682
+ ATOM 682 CG HIS A 89 39.648 43.188 62.371 1.00 88.59 C
683
+ ATOM 683 N HIS A 89 35.988 42.167 62.538 1.00 89.81 N
684
+ ATOM 684 ND1 HIS A 89 40.443 44.010 63.138 1.00 87.00 N
685
+ ATOM 685 NE2 HIS A 89 41.763 42.667 62.109 1.00 87.79 N
686
+ ATOM 686 O HIS A 89 37.505 41.778 64.943 1.00 86.54 O
687
+ ATOM 687 C THR A 90 40.754 39.475 64.718 1.00 86.09 C
688
+ ATOM 688 CA THR A 90 39.248 39.626 64.920 1.00 86.01 C
689
+ ATOM 689 CB THR A 90 38.623 38.247 65.196 1.00 84.13 C
690
+ ATOM 690 CG2 THR A 90 37.139 38.371 65.526 1.00 73.11 C
691
+ ATOM 691 N THR A 90 38.633 40.264 63.761 1.00 86.45 N
692
+ ATOM 692 O THR A 90 41.211 39.181 63.611 1.00 84.65 O
693
+ ATOM 693 OG1 THR A 90 38.776 37.418 64.037 1.00 76.14 O
694
+ ATOM 694 C THR A 91 43.383 38.388 66.416 1.00 79.95 C
695
+ ATOM 695 CA THR A 91 42.987 39.688 65.722 1.00 81.64 C
696
+ ATOM 696 CB THR A 91 43.707 40.872 66.394 1.00 80.05 C
697
+ ATOM 697 CG2 THR A 91 43.477 42.166 65.621 1.00 76.13 C
698
+ ATOM 698 N THR A 91 41.539 39.867 65.747 1.00 82.80 N
699
+ ATOM 699 O THR A 91 42.623 37.853 67.225 1.00 75.73 O
700
+ ATOM 700 OG1 THR A 91 43.210 41.031 67.729 1.00 76.25 O
701
+ ATOM 701 C GLY A 92 45.047 36.312 67.760 1.00 68.85 C
702
+ ATOM 702 CA GLY A 92 44.851 36.350 66.256 1.00 67.13 C
703
+ ATOM 703 N GLY A 92 44.339 37.623 65.777 1.00 69.44 N
704
+ ATOM 704 O GLY A 92 45.574 37.260 68.346 1.00 64.71 O
705
+ ATOM 705 C ILE A 93 45.072 33.902 69.743 1.00 55.73 C
706
+ ATOM 706 CA ILE A 93 44.264 35.192 69.860 1.00 55.81 C
707
+ ATOM 707 CB ILE A 93 42.912 34.916 70.553 1.00 49.87 C
708
+ ATOM 708 CD1 ILE A 93 40.553 35.860 70.888 1.00 43.74 C
709
+ ATOM 709 CG1 ILE A 93 41.960 36.102 70.359 1.00 42.99 C
710
+ ATOM 710 CG2 ILE A 93 43.118 34.617 72.041 1.00 43.89 C
711
+ ATOM 711 N ILE A 93 44.077 35.778 68.537 1.00 55.50 N
712
+ ATOM 712 O ILE A 93 44.971 33.187 68.744 1.00 52.99 O
713
+ ATOM 713 C PRO A 94 45.660 31.265 70.890 1.00 48.51 C
714
+ ATOM 714 CA PRO A 94 46.780 32.301 70.834 1.00 48.47 C
715
+ ATOM 715 CB PRO A 94 47.454 32.452 72.200 1.00 43.55 C
716
+ ATOM 716 CD PRO A 94 46.661 34.647 71.516 1.00 44.44 C
717
+ ATOM 717 CG PRO A 94 47.672 33.922 72.359 1.00 41.02 C
718
+ ATOM 718 N PRO A 94 46.289 33.651 70.549 1.00 48.50 N
719
+ ATOM 719 O PRO A 94 44.676 31.453 71.611 1.00 46.38 O
720
+ ATOM 720 C GLY A 95 43.890 29.360 68.129 1.00 44.68 C
721
+ ATOM 721 CA GLY A 95 44.439 29.339 69.542 1.00 44.65 C
722
+ ATOM 722 N GLY A 95 45.308 30.468 69.835 1.00 44.73 N
723
+ ATOM 723 O GLY A 95 43.182 28.438 67.718 1.00 41.75 O
724
+ ATOM 724 C ASN A 96 44.845 29.957 64.987 1.00 53.29 C
725
+ ATOM 725 CA ASN A 96 43.791 30.436 65.979 1.00 54.71 C
726
+ ATOM 726 CB ASN A 96 43.363 31.867 65.649 1.00 48.02 C
727
+ ATOM 727 CG ASN A 96 42.269 31.923 64.600 1.00 46.58 C
728
+ ATOM 728 N ASN A 96 44.271 30.351 67.354 1.00 52.70 N
729
+ ATOM 729 ND2 ASN A 96 41.841 33.129 64.252 1.00 40.47 N
730
+ ATOM 730 O ASN A 96 45.176 30.665 64.035 1.00 51.56 O
731
+ ATOM 731 OD1 ASN A 96 41.812 30.887 64.107 1.00 45.99 O
732
+ ATOM 732 C SER A 97 46.170 27.730 63.362 1.00 62.39 C
733
+ ATOM 733 CA SER A 97 46.589 28.123 64.775 1.00 62.50 C
734
+ ATOM 734 CB SER A 97 46.992 26.877 65.562 1.00 54.91 C
735
+ ATOM 735 N SER A 97 45.521 28.840 65.463 1.00 61.52 N
736
+ ATOM 736 O SER A 97 46.987 27.748 62.439 1.00 59.64 O
737
+ ATOM 737 OG SER A 97 45.884 26.009 65.733 1.00 47.42 O
738
+ ATOM 738 C GLN A 98 44.478 27.967 60.830 1.00 67.88 C
739
+ ATOM 739 CA GLN A 98 44.485 26.884 61.904 1.00 67.99 C
740
+ ATOM 740 CB GLN A 98 43.109 26.223 61.993 1.00 62.21 C
741
+ ATOM 741 CD GLN A 98 41.754 24.211 62.715 1.00 57.38 C
742
+ ATOM 742 CG GLN A 98 43.122 24.864 62.682 1.00 56.54 C
743
+ ATOM 743 N GLN A 98 44.877 27.429 63.200 1.00 67.35 N
744
+ ATOM 744 NE2 GLN A 98 41.707 22.953 63.140 1.00 43.76 N
745
+ ATOM 745 O GLN A 98 44.955 27.747 59.715 1.00 64.90 O
746
+ ATOM 746 OE1 GLN A 98 40.745 24.831 62.362 1.00 56.59 O
747
+ ATOM 747 C GLY A 99 45.201 30.675 59.807 1.00 68.22 C
748
+ ATOM 748 CA GLY A 99 43.825 30.143 60.164 1.00 66.87 C
749
+ ATOM 749 N GLY A 99 43.865 29.055 61.128 1.00 67.54 N
750
+ ATOM 750 O GLY A 99 45.493 30.915 58.635 1.00 66.27 O
751
+ ATOM 751 C GLN A 100 48.138 30.220 59.686 1.00 74.75 C
752
+ ATOM 752 CA GLN A 100 47.416 31.212 60.594 1.00 74.13 C
753
+ ATOM 753 CB GLN A 100 48.159 31.344 61.924 1.00 70.36 C
754
+ ATOM 754 CD GLN A 100 50.074 32.418 63.183 1.00 62.08 C
755
+ ATOM 755 CG GLN A 100 49.458 32.133 61.827 1.00 64.31 C
756
+ ATOM 756 N GLN A 100 46.032 30.808 60.818 1.00 73.39 N
757
+ ATOM 757 NE2 GLN A 100 51.305 32.919 63.181 1.00 49.69 N
758
+ ATOM 758 O GLN A 100 48.880 30.621 58.786 1.00 72.84 O
759
+ ATOM 759 OE1 GLN A 100 49.449 32.193 64.224 1.00 59.03 O
760
+ ATOM 760 C ALA A 101 47.918 28.044 57.655 1.00 81.23 C
761
+ ATOM 761 CA ALA A 101 48.333 27.930 59.119 1.00 80.58 C
762
+ ATOM 762 CB ALA A 101 47.978 26.548 59.664 1.00 77.52 C
763
+ ATOM 763 N ALA A 101 47.702 28.972 59.926 1.00 79.59 N
764
+ ATOM 764 O ALA A 101 48.728 27.811 56.754 1.00 79.84 O
765
+ ATOM 765 C MET A 102 46.939 29.696 55.294 1.00 83.30 C
766
+ ATOM 766 CA MET A 102 46.240 28.557 56.029 1.00 82.57 C
767
+ ATOM 767 CB MET A 102 44.726 28.773 56.009 1.00 80.15 C
768
+ ATOM 768 CE MET A 102 42.043 27.841 54.300 1.00 60.64 C
769
+ ATOM 769 CG MET A 102 43.925 27.527 56.348 1.00 73.80 C
770
+ ATOM 770 N MET A 102 46.725 28.450 57.402 1.00 81.65 N
771
+ ATOM 771 O MET A 102 47.354 29.537 54.145 1.00 82.41 O
772
+ ATOM 772 SD MET A 102 42.120 27.764 56.112 1.00 71.03 S
773
+ ATOM 773 C VAL A 103 49.187 31.768 55.140 1.00 86.11 C
774
+ ATOM 774 CA VAL A 103 47.679 31.977 55.264 1.00 86.00 C
775
+ ATOM 775 CB VAL A 103 47.384 33.300 56.006 1.00 84.00 C
776
+ ATOM 776 CG1 VAL A 103 48.194 33.387 57.299 1.00 76.45 C
777
+ ATOM 777 CG2 VAL A 103 47.685 34.495 55.102 1.00 75.24 C
778
+ ATOM 778 N VAL A 103 47.077 30.835 55.946 1.00 85.20 N
779
+ ATOM 779 O VAL A 103 49.796 32.178 54.149 1.00 84.78 O
780
+ ATOM 780 C GLU A 104 51.432 29.819 54.858 1.00 87.24 C
781
+ ATOM 781 CA GLU A 104 51.174 30.760 56.032 1.00 86.71 C
782
+ ATOM 782 CB GLU A 104 51.667 30.126 57.334 1.00 84.82 C
783
+ ATOM 783 CD GLU A 104 52.220 30.457 59.791 1.00 75.31 C
784
+ ATOM 784 CG GLU A 104 51.836 31.117 58.477 1.00 78.69 C
785
+ ATOM 785 N GLU A 104 49.758 31.103 56.132 1.00 86.28 N
786
+ ATOM 786 O GLU A 104 52.406 29.989 54.122 1.00 86.38 O
787
+ ATOM 787 OE1 GLU A 104 52.454 29.227 59.808 1.00 72.58 O
788
+ ATOM 788 OE2 GLU A 104 52.287 31.176 60.814 1.00 67.84 O
789
+ ATOM 789 C ARG A 105 50.500 28.683 52.262 1.00 89.27 C
790
+ ATOM 790 CA ARG A 105 50.678 27.935 53.579 1.00 88.46 C
791
+ ATOM 791 CB ARG A 105 49.645 26.811 53.686 1.00 86.54 C
792
+ ATOM 792 CD ARG A 105 48.677 24.701 52.710 1.00 75.17 C
793
+ ATOM 793 CG ARG A 105 49.676 25.834 52.522 1.00 78.86 C
794
+ ATOM 794 CZ ARG A 105 48.154 22.572 51.566 1.00 65.88 C
795
+ ATOM 795 N ARG A 105 50.568 28.843 54.716 1.00 88.22 N
796
+ ATOM 796 NE ARG A 105 48.655 23.804 51.558 1.00 67.58 N
797
+ ATOM 797 NH1 ARG A 105 47.622 22.063 52.671 1.00 51.98 N
798
+ ATOM 798 NH2 ARG A 105 48.185 21.842 50.459 1.00 47.74 N
799
+ ATOM 799 O ARG A 105 51.246 28.456 51.306 1.00 88.67 O
800
+ ATOM 800 C ALA A 106 50.502 31.216 50.681 1.00 91.16 C
801
+ ATOM 801 CA ALA A 106 49.285 30.360 51.018 1.00 90.53 C
802
+ ATOM 802 CB ALA A 106 48.052 31.243 51.204 1.00 89.46 C
803
+ ATOM 803 N ALA A 106 49.522 29.560 52.217 1.00 90.00 N
804
+ ATOM 804 O ALA A 106 50.892 31.318 49.515 1.00 90.82 O
805
+ ATOM 805 C ASN A 107 53.456 31.793 50.910 1.00 91.49 C
806
+ ATOM 806 CA ASN A 107 52.311 32.616 51.495 1.00 91.80 C
807
+ ATOM 807 CB ASN A 107 52.743 33.265 52.812 1.00 90.82 C
808
+ ATOM 808 CG ASN A 107 51.840 34.413 53.220 1.00 87.67 C
809
+ ATOM 809 N ASN A 107 51.115 31.804 51.692 1.00 91.50 N
810
+ ATOM 810 ND2 ASN A 107 51.856 34.751 54.504 1.00 85.91 N
811
+ ATOM 811 O ASN A 107 54.142 32.242 49.990 1.00 90.56 O
812
+ ATOM 812 OD1 ASN A 107 51.133 34.988 52.389 1.00 85.54 O
813
+ ATOM 813 C ARG A 108 54.392 29.332 49.496 1.00 92.25 C
814
+ ATOM 814 CA ARG A 108 54.641 29.718 50.950 1.00 92.03 C
815
+ ATOM 815 CB ARG A 108 54.740 28.461 51.817 1.00 90.35 C
816
+ ATOM 816 CD ARG A 108 55.931 26.297 52.315 1.00 76.62 C
817
+ ATOM 817 CG ARG A 108 55.841 27.502 51.388 1.00 81.29 C
818
+ ATOM 818 CZ ARG A 108 54.376 24.601 53.219 1.00 67.67 C
819
+ ATOM 819 N ARG A 108 53.591 30.601 51.445 1.00 92.01 N
820
+ ATOM 820 NE ARG A 108 54.690 25.526 52.317 1.00 70.06 N
821
+ ATOM 821 NH1 ARG A 108 55.208 24.311 54.213 1.00 51.68 N
822
+ ATOM 822 NH2 ARG A 108 53.221 23.958 53.127 1.00 46.80 N
823
+ ATOM 823 O ARG A 108 55.302 29.398 48.665 1.00 91.50 O
824
+ ATOM 824 C LEU A 109 53.016 29.756 46.845 1.00 92.83 C
825
+ ATOM 825 CA LEU A 109 52.869 28.581 47.806 1.00 92.43 C
826
+ ATOM 826 CB LEU A 109 51.440 28.037 47.751 1.00 91.29 C
827
+ ATOM 827 CD1 LEU A 109 49.723 26.323 48.388 1.00 79.14 C
828
+ ATOM 828 CD2 LEU A 109 52.027 25.596 47.708 1.00 79.12 C
829
+ ATOM 829 CG LEU A 109 51.207 26.675 48.408 1.00 85.68 C
830
+ ATOM 830 N LEU A 109 53.215 28.976 49.167 1.00 92.20 N
831
+ ATOM 831 O LEU A 109 53.497 29.588 45.721 1.00 92.40 O
832
+ ATOM 832 C LEU A 110 54.217 32.415 46.170 1.00 93.80 C
833
+ ATOM 833 CA LEU A 110 52.754 32.133 46.499 1.00 93.91 C
834
+ ATOM 834 CB LEU A 110 52.141 33.336 47.222 1.00 93.49 C
835
+ ATOM 835 CD1 LEU A 110 51.554 34.702 45.204 1.00 90.20 C
836
+ ATOM 836 CD2 LEU A 110 51.797 35.812 47.441 1.00 90.10 C
837
+ ATOM 837 CG LEU A 110 52.298 34.693 46.536 1.00 92.33 C
838
+ ATOM 838 N LEU A 110 52.627 30.928 47.311 1.00 93.64 N
839
+ ATOM 839 O LEU A 110 54.562 32.652 45.011 1.00 93.21 O
840
+ ATOM 840 C LYS A 111 57.105 31.582 46.005 1.00 93.28 C
841
+ ATOM 841 CA LYS A 111 56.473 32.633 46.913 1.00 93.77 C
842
+ ATOM 842 CB LYS A 111 57.209 32.681 48.253 1.00 93.06 C
843
+ ATOM 843 CD LYS A 111 57.702 33.930 50.381 1.00 88.74 C
844
+ ATOM 844 CE LYS A 111 57.485 35.218 51.165 1.00 85.54 C
845
+ ATOM 845 CG LYS A 111 56.951 33.947 49.056 1.00 90.58 C
846
+ ATOM 846 N LYS A 111 55.052 32.365 47.118 1.00 93.85 N
847
+ ATOM 847 NZ LYS A 111 58.250 35.223 52.447 1.00 81.54 N
848
+ ATOM 848 O LYS A 111 57.918 31.910 45.139 1.00 92.28 O
849
+ ATOM 849 C ASP A 112 56.733 29.480 43.865 1.00 92.90 C
850
+ ATOM 850 CA ASP A 112 57.157 29.247 45.313 1.00 92.75 C
851
+ ATOM 851 CB ASP A 112 56.645 27.890 45.799 1.00 91.41 C
852
+ ATOM 852 CG ASP A 112 57.362 27.397 47.043 1.00 83.43 C
853
+ ATOM 853 N ASP A 112 56.672 30.318 46.180 1.00 92.90 N
854
+ ATOM 854 O ASP A 112 57.539 29.323 42.945 1.00 92.19 O
855
+ ATOM 855 OD1 ASP A 112 58.432 27.945 47.389 1.00 74.70 O
856
+ ATOM 856 OD2 ASP A 112 56.857 26.449 47.682 1.00 81.01 O
857
+ ATOM 857 C LYS A 113 55.699 31.322 41.706 1.00 93.37 C
858
+ ATOM 858 CA LYS A 113 55.007 30.124 42.352 1.00 93.04 C
859
+ ATOM 859 CB LYS A 113 53.493 30.340 42.368 1.00 91.73 C
860
+ ATOM 860 CD LYS A 113 53.174 29.207 40.143 1.00 78.30 C
861
+ ATOM 861 CE LYS A 113 52.554 27.952 40.740 1.00 71.21 C
862
+ ATOM 862 CG LYS A 113 52.867 30.439 40.985 1.00 83.79 C
863
+ ATOM 863 N LYS A 113 55.507 29.896 43.705 1.00 93.07 N
864
+ ATOM 864 NZ LYS A 113 52.798 26.752 39.884 1.00 63.32 N
865
+ ATOM 865 O LYS A 113 56.031 31.286 40.519 1.00 92.77 O
866
+ ATOM 866 C ILE A 114 58.009 33.103 41.531 1.00 93.25 C
867
+ ATOM 867 CA ILE A 114 56.599 33.511 41.951 1.00 93.79 C
868
+ ATOM 868 CB ILE A 114 56.658 34.637 43.006 1.00 93.43 C
869
+ ATOM 869 CD1 ILE A 114 55.176 36.239 44.350 1.00 90.44 C
870
+ ATOM 870 CG1 ILE A 114 55.285 35.305 43.154 1.00 92.02 C
871
+ ATOM 871 CG2 ILE A 114 57.731 35.666 42.639 1.00 91.53 C
872
+ ATOM 872 N ILE A 114 55.877 32.346 42.453 1.00 93.77 N
873
+ ATOM 873 O ILE A 114 58.482 33.493 40.462 1.00 92.15 O
874
+ ATOM 874 C ARG A 115 60.045 31.049 40.705 1.00 92.58 C
875
+ ATOM 875 CA ARG A 115 60.015 31.843 42.006 1.00 92.77 C
876
+ ATOM 876 CB ARG A 115 60.568 30.993 43.151 1.00 91.63 C
877
+ ATOM 877 CD ARG A 115 62.492 29.667 44.093 1.00 82.77 C
878
+ ATOM 878 CG ARG A 115 61.979 30.479 42.911 1.00 86.27 C
879
+ ATOM 879 CZ ARG A 115 62.112 27.279 44.606 1.00 75.29 C
880
+ ATOM 880 N ARG A 115 58.662 32.297 42.311 1.00 92.95 N
881
+ ATOM 881 NE ARG A 115 61.653 28.501 44.350 1.00 78.77 N
882
+ ATOM 882 NH1 ARG A 115 63.418 27.039 44.646 1.00 64.47 N
883
+ ATOM 883 NH2 ARG A 115 61.260 26.288 44.826 1.00 60.82 N
884
+ ATOM 884 O ARG A 115 60.864 31.320 39.825 1.00 91.67 O
885
+ ATOM 885 C VAL A 116 58.866 30.060 38.133 1.00 92.53 C
886
+ ATOM 886 CA VAL A 116 59.156 29.237 39.386 1.00 92.53 C
887
+ ATOM 887 CB VAL A 116 58.107 28.112 39.539 1.00 91.63 C
888
+ ATOM 888 CG1 VAL A 116 57.891 27.392 38.210 1.00 86.74 C
889
+ ATOM 889 CG2 VAL A 116 58.539 27.125 40.621 1.00 85.64 C
890
+ ATOM 890 N VAL A 116 59.180 30.109 40.556 1.00 92.57 N
891
+ ATOM 891 O VAL A 116 59.527 29.892 37.105 1.00 91.80 O
892
+ ATOM 892 C LEU A 117 58.728 32.755 36.706 1.00 92.53 C
893
+ ATOM 893 CA LEU A 117 57.596 31.797 37.065 1.00 92.86 C
894
+ ATOM 894 CB LEU A 117 56.316 32.585 37.350 1.00 92.39 C
895
+ ATOM 895 CD1 LEU A 117 53.886 32.628 37.967 1.00 88.21 C
896
+ ATOM 896 CD2 LEU A 117 54.661 31.244 36.021 1.00 88.08 C
897
+ ATOM 897 CG LEU A 117 55.019 31.775 37.405 1.00 90.87 C
898
+ ATOM 898 N LEU A 117 57.956 30.975 38.215 1.00 92.70 N
899
+ ATOM 899 O LEU A 117 59.037 32.942 35.527 1.00 91.62 O
900
+ ATOM 900 C ALA A 118 61.581 33.580 36.867 1.00 92.70 C
901
+ ATOM 901 CA ALA A 118 60.379 34.288 37.485 1.00 93.25 C
902
+ ATOM 902 CB ALA A 118 60.782 34.973 38.789 1.00 92.39 C
903
+ ATOM 903 N ALA A 118 59.282 33.352 37.719 1.00 93.26 N
904
+ ATOM 904 O ALA A 118 62.211 34.103 35.944 1.00 91.46 O
905
+ ATOM 905 C GLU A 119 62.708 31.213 35.359 1.00 92.29 C
906
+ ATOM 906 CA GLU A 119 62.985 31.630 36.800 1.00 92.53 C
907
+ ATOM 907 CB GLU A 119 63.251 30.393 37.664 1.00 91.24 C
908
+ ATOM 908 CD GLU A 119 64.025 29.489 39.907 1.00 81.20 C
909
+ ATOM 909 CG GLU A 119 63.879 30.710 39.013 1.00 85.19 C
910
+ ATOM 910 N GLU A 119 61.877 32.408 37.347 1.00 92.66 N
911
+ ATOM 911 O GLU A 119 63.609 31.230 34.518 1.00 91.21 O
912
+ ATOM 912 OE1 GLU A 119 63.706 28.365 39.457 1.00 79.10 O
913
+ ATOM 913 OE2 GLU A 119 64.462 29.658 41.068 1.00 77.75 O
914
+ ATOM 914 C GLY A 120 61.327 31.689 32.792 1.00 91.25 C
915
+ ATOM 915 CA GLY A 120 61.167 30.531 33.758 1.00 91.54 C
916
+ ATOM 916 N GLY A 120 61.559 30.862 35.118 1.00 91.36 N
917
+ ATOM 917 O GLY A 120 61.621 31.485 31.613 1.00 89.89 O
918
+ ATOM 918 C ASP A 121 62.691 34.601 32.446 1.00 89.49 C
919
+ ATOM 919 CA ASP A 121 61.249 34.099 32.465 1.00 90.54 C
920
+ ATOM 920 CB ASP A 121 60.317 35.195 32.987 1.00 89.02 C
921
+ ATOM 921 CG ASP A 121 58.854 34.922 32.688 1.00 84.68 C
922
+ ATOM 922 N ASP A 121 61.124 32.892 33.276 1.00 90.34 N
923
+ ATOM 923 O ASP A 121 62.986 35.634 31.841 1.00 87.03 O
924
+ ATOM 924 OD1 ASP A 121 58.557 34.075 31.818 1.00 80.25 O
925
+ ATOM 925 OD2 ASP A 121 57.989 35.562 33.325 1.00 83.51 O
926
+ ATOM 926 C GLY A 122 65.342 35.284 34.266 1.00 89.45 C
927
+ ATOM 927 CA GLY A 122 64.966 34.295 33.180 1.00 90.12 C
928
+ ATOM 928 N GLY A 122 63.551 33.956 33.180 1.00 89.99 N
929
+ ATOM 929 O GLY A 122 66.438 35.847 34.248 1.00 87.19 O
930
+ ATOM 930 C PHE A 123 65.111 35.705 37.514 1.00 87.10 C
931
+ ATOM 931 CA PHE A 123 64.642 36.457 36.275 1.00 90.47 C
932
+ ATOM 932 CB PHE A 123 63.402 37.293 36.606 1.00 88.59 C
933
+ ATOM 933 CD1 PHE A 123 63.640 38.854 34.648 1.00 84.08 C
934
+ ATOM 934 CD2 PHE A 123 61.492 37.902 35.090 1.00 84.47 C
935
+ ATOM 935 CE1 PHE A 123 63.117 39.538 33.553 1.00 85.33 C
936
+ ATOM 936 CE2 PHE A 123 60.962 38.582 33.997 1.00 84.86 C
937
+ ATOM 937 CG PHE A 123 62.834 38.031 35.424 1.00 87.44 C
938
+ ATOM 938 CZ PHE A 123 61.776 39.401 33.230 1.00 83.65 C
939
+ ATOM 939 N PHE A 123 64.361 35.533 35.183 1.00 90.11 N
940
+ ATOM 940 O PHE A 123 64.293 35.247 38.315 1.00 81.77 O
941
+ ATOM 941 C MET A 124 67.012 35.599 40.142 1.00 82.73 C
942
+ ATOM 942 CA MET A 124 66.906 34.804 38.846 1.00 85.11 C
943
+ ATOM 943 CB MET A 124 68.279 34.251 38.457 1.00 79.93 C
944
+ ATOM 944 CE MET A 124 68.463 30.864 38.606 1.00 57.21 C
945
+ ATOM 945 CG MET A 124 68.246 33.311 37.263 1.00 68.83 C
946
+ ATOM 946 N MET A 124 66.362 35.629 37.772 1.00 85.63 N
947
+ ATOM 947 O MET A 124 66.680 35.092 41.215 1.00 78.25 O
948
+ ATOM 948 SD MET A 124 67.274 31.789 37.594 1.00 64.83 S
949
+ ATOM 949 C LYS A 125 66.660 38.627 41.612 1.00 87.85 C
950
+ ATOM 950 CA LYS A 125 67.737 37.583 41.333 1.00 88.00 C
951
+ ATOM 951 CB LYS A 125 69.109 38.254 41.248 1.00 85.19 C
952
+ ATOM 952 CD LYS A 125 71.614 38.007 41.260 1.00 72.23 C
953
+ ATOM 953 CE LYS A 125 72.784 37.033 41.226 1.00 64.67 C
954
+ ATOM 954 CG LYS A 125 70.276 37.279 41.240 1.00 76.03 C
955
+ ATOM 955 N LYS A 125 67.450 36.846 40.106 1.00 88.90 N
956
+ ATOM 956 NZ LYS A 125 74.097 37.744 41.214 1.00 59.79 N
957
+ ATOM 957 O LYS A 125 66.058 38.633 42.687 1.00 85.18 O
958
+ ATOM 958 C ARG A 126 64.439 40.442 39.588 1.00 92.58 C
959
+ ATOM 959 CA ARG A 126 65.403 40.469 40.770 1.00 92.26 C
960
+ ATOM 960 CB ARG A 126 66.094 41.832 40.852 1.00 89.89 C
961
+ ATOM 961 CD ARG A 126 65.897 44.297 41.328 1.00 76.35 C
962
+ ATOM 962 CG ARG A 126 65.146 42.987 41.137 1.00 79.88 C
963
+ ATOM 963 CZ ARG A 126 65.302 46.697 41.376 1.00 68.89 C
964
+ ATOM 964 N ARG A 126 66.390 39.399 40.666 1.00 92.07 N
965
+ ATOM 965 NE ARG A 126 64.983 45.416 41.538 1.00 71.99 N
966
+ ATOM 966 NH1 ARG A 126 66.527 47.048 40.997 1.00 59.60 N
967
+ ATOM 967 NH2 ARG A 126 64.392 47.635 41.594 1.00 54.34 N
968
+ ATOM 968 O ARG A 126 64.854 40.230 38.447 1.00 91.77 O
969
+ ATOM 969 C ILE A 127 62.039 42.311 38.482 1.00 93.12 C
970
+ ATOM 970 CA ILE A 127 62.206 40.853 38.900 1.00 93.26 C
971
+ ATOM 971 CB ILE A 127 60.858 40.276 39.385 1.00 92.60 C
972
+ ATOM 972 CD1 ILE A 127 59.886 38.296 40.690 1.00 87.80 C
973
+ ATOM 973 CG1 ILE A 127 61.029 38.819 39.830 1.00 90.57 C
974
+ ATOM 974 CG2 ILE A 127 59.795 40.392 38.288 1.00 90.03 C
975
+ ATOM 975 N ILE A 127 63.232 40.750 39.933 1.00 92.77 N
976
+ ATOM 976 O ILE A 127 61.807 43.182 39.324 1.00 92.41 O
977
+ ATOM 977 C PRO A 128 60.621 44.484 37.160 1.00 92.34 C
978
+ ATOM 978 CA PRO A 128 61.989 43.934 36.762 1.00 92.03 C
979
+ ATOM 979 CB PRO A 128 62.122 43.854 35.239 1.00 91.03 C
980
+ ATOM 980 CD PRO A 128 62.628 41.610 36.027 1.00 86.13 C
981
+ ATOM 981 CG PRO A 128 62.966 42.645 34.993 1.00 87.50 C
982
+ ATOM 982 N PRO A 128 62.189 42.548 37.191 1.00 91.93 N
983
+ ATOM 983 O PRO A 128 59.614 43.780 37.055 1.00 91.83 O
984
+ ATOM 984 C THR A 129 58.277 46.219 36.994 1.00 91.95 C
985
+ ATOM 985 CA THR A 129 59.386 46.322 38.038 1.00 91.92 C
986
+ ATOM 986 CB THR A 129 59.641 47.803 38.376 1.00 90.02 C
987
+ ATOM 987 CG2 THR A 129 58.374 48.474 38.897 1.00 75.57 C
988
+ ATOM 988 N THR A 129 60.602 45.670 37.565 1.00 91.88 N
989
+ ATOM 989 O THR A 129 57.116 45.986 37.337 1.00 90.97 O
990
+ ATOM 990 OG1 THR A 129 60.662 47.890 39.376 1.00 78.48 O
991
+ ATOM 991 C SER A 130 57.042 44.949 34.445 1.00 91.70 C
992
+ ATOM 992 CA SER A 130 57.652 46.335 34.621 1.00 92.08 C
993
+ ATOM 993 CB SER A 130 58.319 46.777 33.318 1.00 90.85 C
994
+ ATOM 994 N SER A 130 58.613 46.355 35.719 1.00 92.10 N
995
+ ATOM 995 O SER A 130 56.011 44.798 33.787 1.00 90.37 O
996
+ ATOM 996 OG SER A 130 59.429 45.949 33.015 1.00 81.53 O
997
+ ATOM 997 C LYS A 131 56.506 42.023 36.096 1.00 93.40 C
998
+ ATOM 998 CA LYS A 131 57.186 42.557 34.840 1.00 93.27 C
999
+ ATOM 999 CB LYS A 131 58.349 41.646 34.444 1.00 92.53 C
1000
+ ATOM 1000 CD LYS A 131 57.934 41.729 31.962 1.00 86.37 C
1001
+ ATOM 1001 CE LYS A 131 58.556 41.951 30.591 1.00 82.24 C
1002
+ ATOM 1002 CG LYS A 131 58.945 41.958 33.080 1.00 89.70 C
1003
+ ATOM 1003 N LYS A 131 57.654 43.927 35.037 1.00 93.20 N
1004
+ ATOM 1004 NZ LYS A 131 57.546 41.825 29.498 1.00 78.24 N
1005
+ ATOM 1005 O LYS A 131 55.831 40.993 36.053 1.00 92.70 O
1006
+ ATOM 1006 C GLN A 132 54.678 42.094 38.525 1.00 94.05 C
1007
+ ATOM 1007 CA GLN A 132 56.195 42.258 38.508 1.00 94.35 C
1008
+ ATOM 1008 CB GLN A 132 56.634 43.200 39.631 1.00 93.79 C
1009
+ ATOM 1009 CD GLN A 132 58.539 44.108 41.028 1.00 89.96 C
1010
+ ATOM 1010 CG GLN A 132 58.129 43.159 39.919 1.00 92.27 C
1011
+ ATOM 1011 N GLN A 132 56.656 42.753 37.215 1.00 93.99 N
1012
+ ATOM 1012 NE2 GLN A 132 59.843 44.247 41.238 1.00 90.27 N
1013
+ ATOM 1013 O GLN A 132 54.163 41.093 39.027 1.00 93.34 O
1014
+ ATOM 1014 OE1 GLN A 132 57.691 44.715 41.690 1.00 89.84 O
1015
+ ATOM 1015 C GLY A 133 51.987 41.748 37.205 1.00 93.24 C
1016
+ ATOM 1016 CA GLY A 133 52.490 42.955 37.974 1.00 93.25 C
1017
+ ATOM 1017 N GLY A 133 53.940 43.047 38.011 1.00 93.13 N
1018
+ ATOM 1018 O GLY A 133 51.075 41.053 37.658 1.00 92.46 O
1019
+ ATOM 1019 C GLU A 134 52.513 39.110 35.896 1.00 93.98 C
1020
+ ATOM 1020 CA GLU A 134 52.189 40.428 35.199 1.00 93.84 C
1021
+ ATOM 1021 CB GLU A 134 52.887 40.487 33.837 1.00 92.52 C
1022
+ ATOM 1022 CD GLU A 134 53.269 39.369 31.589 1.00 78.53 C
1023
+ ATOM 1023 CG GLU A 134 52.476 39.374 32.886 1.00 84.19 C
1024
+ ATOM 1024 N GLU A 134 52.574 41.569 36.023 1.00 93.87 N
1025
+ ATOM 1025 O GLU A 134 51.693 38.190 35.910 1.00 93.33 O
1026
+ ATOM 1026 OE1 GLU A 134 53.995 40.352 31.318 1.00 77.13 O
1027
+ ATOM 1027 OE2 GLU A 134 53.163 38.374 30.837 1.00 73.37 O
1028
+ ATOM 1028 C LEU A 135 53.176 37.482 38.327 1.00 94.50 C
1029
+ ATOM 1029 CA LEU A 135 54.077 37.781 37.134 1.00 94.33 C
1030
+ ATOM 1030 CB LEU A 135 55.532 37.900 37.596 1.00 92.98 C
1031
+ ATOM 1031 CD1 LEU A 135 57.702 36.653 37.754 1.00 70.20 C
1032
+ ATOM 1032 CD2 LEU A 135 55.959 36.368 39.537 1.00 70.38 C
1033
+ ATOM 1033 CG LEU A 135 56.207 36.606 38.051 1.00 82.54 C
1034
+ ATOM 1034 N LEU A 135 53.655 39.003 36.456 1.00 94.19 N
1035
+ ATOM 1035 O LEU A 135 52.790 36.332 38.546 1.00 93.93 O
1036
+ ATOM 1036 C LEU A 136 50.633 37.902 39.812 1.00 94.55 C
1037
+ ATOM 1037 CA LEU A 136 52.020 38.367 40.244 1.00 94.62 C
1038
+ ATOM 1038 CB LEU A 136 51.909 39.673 41.033 1.00 93.61 C
1039
+ ATOM 1039 CD1 LEU A 136 51.927 38.641 43.318 1.00 79.68 C
1040
+ ATOM 1040 CD2 LEU A 136 51.071 40.979 43.006 1.00 79.40 C
1041
+ ATOM 1041 CG LEU A 136 51.192 39.593 42.381 1.00 88.30 C
1042
+ ATOM 1042 N LEU A 136 52.894 38.539 39.088 1.00 94.44 N
1043
+ ATOM 1043 O LEU A 136 50.035 37.036 40.456 1.00 93.91 O
1044
+ ATOM 1044 C ALA A 137 48.855 36.565 37.752 1.00 93.92 C
1045
+ ATOM 1045 CA ALA A 137 48.827 38.030 38.176 1.00 94.03 C
1046
+ ATOM 1046 CB ALA A 137 48.429 38.914 36.997 1.00 93.07 C
1047
+ ATOM 1047 N ALA A 137 50.121 38.446 38.712 1.00 94.09 N
1048
+ ATOM 1048 O ALA A 137 47.920 35.811 38.037 1.00 93.23 O
1049
+ ATOM 1049 C LYS A 138 50.129 33.833 37.945 1.00 93.89 C
1050
+ ATOM 1050 CA LYS A 138 50.077 34.748 36.725 1.00 93.92 C
1051
+ ATOM 1051 CB LYS A 138 51.335 34.559 35.876 1.00 93.02 C
1052
+ ATOM 1052 CD LYS A 138 52.525 34.966 33.695 1.00 83.91 C
1053
+ ATOM 1053 CE LYS A 138 52.413 35.533 32.286 1.00 78.71 C
1054
+ ATOM 1054 CG LYS A 138 51.221 35.124 34.467 1.00 88.21 C
1055
+ ATOM 1055 N LYS A 138 49.930 36.146 37.121 1.00 93.91 N
1056
+ ATOM 1056 NZ LYS A 138 53.711 35.451 31.552 1.00 71.40 N
1057
+ ATOM 1057 O LYS A 138 49.511 32.767 37.955 1.00 93.24 O
1058
+ ATOM 1058 C ALA A 139 49.637 33.306 40.849 1.00 94.09 C
1059
+ ATOM 1059 CA ALA A 139 50.993 33.452 40.167 1.00 94.16 C
1060
+ ATOM 1060 CB ALA A 139 52.002 34.084 41.123 1.00 93.56 C
1061
+ ATOM 1061 N ALA A 139 50.884 34.245 38.946 1.00 93.97 N
1062
+ ATOM 1062 O ALA A 139 49.259 32.209 41.268 1.00 93.51 O
1063
+ ATOM 1063 C MET A 140 46.664 33.505 40.755 1.00 92.93 C
1064
+ ATOM 1064 CA MET A 140 47.616 34.384 41.559 1.00 93.36 C
1065
+ ATOM 1065 CB MET A 140 47.049 35.800 41.676 1.00 92.09 C
1066
+ ATOM 1066 CE MET A 140 44.946 38.147 41.004 1.00 75.17 C
1067
+ ATOM 1067 CG MET A 140 45.733 35.872 42.434 1.00 85.58 C
1068
+ ATOM 1068 N MET A 140 48.942 34.411 40.946 1.00 93.32 N
1069
+ ATOM 1069 O MET A 140 45.896 32.730 41.327 1.00 91.78 O
1070
+ ATOM 1070 SD MET A 140 45.179 37.598 42.719 1.00 81.49 S
1071
+ ATOM 1071 C TYR A 141 46.197 31.353 38.812 1.00 92.04 C
1072
+ ATOM 1072 CA TYR A 141 45.899 32.832 38.593 1.00 92.55 C
1073
+ ATOM 1073 CB TYR A 141 46.112 33.195 37.121 1.00 91.61 C
1074
+ ATOM 1074 CD1 TYR A 141 43.976 32.663 35.883 1.00 83.09 C
1075
+ ATOM 1075 CD2 TYR A 141 45.867 31.242 35.541 1.00 83.20 C
1076
+ ATOM 1076 CE1 TYR A 141 43.226 31.887 35.004 1.00 82.93 C
1077
+ ATOM 1077 CE2 TYR A 141 45.127 30.460 34.661 1.00 84.61 C
1078
+ ATOM 1078 CG TYR A 141 45.304 32.351 36.164 1.00 87.83 C
1079
+ ATOM 1079 CZ TYR A 141 43.810 30.789 34.399 1.00 80.73 C
1080
+ ATOM 1080 N TYR A 141 46.734 33.665 39.451 1.00 92.59 N
1081
+ ATOM 1081 O TYR A 141 45.279 30.547 38.982 1.00 90.93 O
1082
+ ATOM 1082 OH TYR A 141 43.073 30.018 33.528 1.00 68.47 O
1083
+ ATOM 1083 C ALA A 142 47.377 29.095 40.363 1.00 91.62 C
1084
+ ATOM 1084 CA ALA A 142 47.839 29.626 39.010 1.00 91.99 C
1085
+ ATOM 1085 CB ALA A 142 49.354 29.494 38.879 1.00 91.04 C
1086
+ ATOM 1086 N ALA A 142 47.431 31.015 38.824 1.00 92.20 N
1087
+ ATOM 1087 O ALA A 142 46.902 27.961 40.464 1.00 90.46 O
1088
+ ATOM 1088 C LEU A 143 45.572 29.204 42.871 1.00 90.42 C
1089
+ ATOM 1089 CA LEU A 143 47.079 29.414 42.765 1.00 91.24 C
1090
+ ATOM 1090 CB LEU A 143 47.536 30.444 43.801 1.00 90.49 C
1091
+ ATOM 1091 CD1 LEU A 143 49.361 31.690 44.986 1.00 83.73 C
1092
+ ATOM 1092 CD2 LEU A 143 49.538 29.206 44.674 1.00 83.60 C
1093
+ ATOM 1093 CG LEU A 143 49.040 30.514 44.069 1.00 87.85 C
1094
+ ATOM 1094 N LEU A 143 47.452 29.841 41.421 1.00 91.44 N
1095
+ ATOM 1095 O LEU A 143 45.112 28.337 43.618 1.00 88.82 O
1096
+ ATOM 1096 C ASN A 144 42.763 28.759 41.290 1.00 89.11 C
1097
+ ATOM 1097 CA ASN A 144 43.329 29.812 42.238 1.00 90.77 C
1098
+ ATOM 1098 CB ASN A 144 42.699 31.176 41.954 1.00 90.18 C
1099
+ ATOM 1099 CG ASN A 144 42.800 32.123 43.134 1.00 89.37 C
1100
+ ATOM 1100 N ASN A 144 44.784 29.891 42.144 1.00 91.03 N
1101
+ ATOM 1101 ND2 ASN A 144 43.018 33.402 42.851 1.00 88.16 N
1102
+ ATOM 1102 O ASN A 144 41.613 28.341 41.436 1.00 86.46 O
1103
+ ATOM 1103 OD1 ASN A 144 42.683 31.709 44.290 1.00 87.62 O
1104
+ ATOM 1104 C HIS A 145 43.612 26.102 39.349 1.00 84.08 C
1105
+ ATOM 1105 CA HIS A 145 42.891 27.446 39.347 1.00 87.73 C
1106
+ ATOM 1106 CB HIS A 145 42.960 28.076 37.955 1.00 85.50 C
1107
+ ATOM 1107 CD2 HIS A 145 42.169 30.529 37.655 1.00 75.94 C
1108
+ ATOM 1108 CE1 HIS A 145 40.020 30.143 37.465 1.00 74.82 C
1109
+ ATOM 1109 CG HIS A 145 41.983 29.192 37.753 1.00 80.62 C
1110
+ ATOM 1110 N HIS A 145 43.458 28.348 40.344 1.00 88.30 N
1111
+ ATOM 1111 ND1 HIS A 145 40.627 28.980 37.630 1.00 73.66 N
1112
+ ATOM 1112 NE2 HIS A 145 40.933 31.099 37.476 1.00 72.86 N
1113
+ ATOM 1113 O HIS A 145 43.078 25.106 38.854 1.00 78.63 O
1114
+ ATOM 1114 C PHE A 146 46.224 24.681 41.365 1.00 70.00 C
1115
+ ATOM 1115 CA PHE A 146 45.722 24.986 39.959 1.00 74.06 C
1116
+ ATOM 1116 CB PHE A 146 46.904 25.080 38.989 1.00 66.38 C
1117
+ ATOM 1117 CD1 PHE A 146 45.951 24.294 36.798 1.00 61.03 C
1118
+ ATOM 1118 CD2 PHE A 146 46.667 26.568 36.976 1.00 64.96 C
1119
+ ATOM 1119 CE1 PHE A 146 45.574 24.512 35.475 1.00 60.22 C
1120
+ ATOM 1120 CE2 PHE A 146 46.294 26.793 35.655 1.00 61.45 C
1121
+ ATOM 1121 CG PHE A 146 46.499 25.318 37.559 1.00 63.15 C
1122
+ ATOM 1122 CZ PHE A 146 45.749 25.763 34.905 1.00 59.08 C
1123
+ ATOM 1123 N PHE A 146 44.947 26.222 39.943 1.00 73.59 N
1124
+ ATOM 1124 O PHE A 146 46.403 23.515 41.726 1.00 62.79 O
1125
+ TER 1125 PHE A 146
1126
+ END
1a5v/1a5v_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a94/1a94_ligand.mol2 ADDED
@@ -0,0 +1,272 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1a94_ligand
7
+ 128 128 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 50.8690 20.6100 27.1570 N.4 1 0Q4 0.2379
14
+ 2 CA 51.6100 19.8510 28.2070 C.3 1 0Q4 0.0651
15
+ 3 C 53.0860 20.2070 28.1870 C.2 1 0Q4 0.2267
16
+ 4 O 53.6660 20.4070 27.1310 O.2 1 0Q4 -0.3907
17
+ 5 CB 51.4600 18.3210 28.0200 C.3 1 0Q4 0.0110
18
+ 6 CG 50.0880 17.7100 28.3800 C.3 1 0Q4 -0.0125
19
+ 7 CD 49.5980 18.0580 29.8260 C.3 1 0Q4 0.0629
20
+ 8 NE 48.3250 17.4210 30.1800 N.pl3 1 0Q4 -0.2723
21
+ 9 CZ 48.1320 16.1030 30.2180 C.cat 1 0Q4 0.2882
22
+ 10 NH1 49.1170 15.2680 29.9350 N.pl3 1 0Q4 -0.2849
23
+ 11 NH2 46.9390 15.6140 30.5030 N.pl3 1 0Q4 -0.2849
24
+ 12 N 53.6690 20.2890 29.3720 N.am 1 0Q4 -0.2608
25
+ 13 CA 55.0580 20.6150 29.5840 C.3 1 0Q4 0.1334
26
+ 14 C 55.5940 19.4090 30.3930 C.2 1 0Q4 0.2042
27
+ 15 O 55.3680 19.2930 31.6080 O.2 1 0Q4 -0.3944
28
+ 16 CB 55.1690 21.9200 30.3950 C.3 1 0Q4 -0.0063
29
+ 17 CG1 56.6010 22.4200 30.3940 C.3 1 0Q4 -0.0584
30
+ 18 CG2 54.2290 22.9820 29.8400 C.3 1 0Q4 -0.0584
31
+ 19 N 56.3130 18.5180 29.7170 N.am 1 0Q4 -0.2637
32
+ 20 CA 56.7930 17.3100 30.3630 C.3 1 0Q4 0.1312
33
+ 21 C 58.1850 17.2950 30.9450 C.2 1 0Q4 0.2040
34
+ 22 O 58.8360 16.2510 30.9810 O.2 1 0Q4 -0.3944
35
+ 23 CB 56.5500 16.1270 29.4520 C.3 1 0Q4 -0.0101
36
+ 24 CG 55.0840 16.1660 29.0310 C.3 1 0Q4 -0.0425
37
+ 25 CD1 54.7950 15.3140 27.8110 C.3 1 0Q4 -0.0625
38
+ 26 CD2 54.2320 15.7850 30.2140 C.3 1 0Q4 -0.0625
39
+ 27 N 58.6570 18.4620 31.3750 N.am 1 0Q4 -0.2619
40
+ 28 CA 59.9500 18.5840 32.0340 C.3 1 0Q4 0.1404
41
+ 29 C 59.9260 17.5780 33.2260 C.2 1 0Q4 0.2060
42
+ 30 O 58.8900 17.3740 33.8940 O.2 1 0Q4 -0.3942
43
+ 31 CB 60.1200 20.0380 32.4960 C.3 1 0Q4 0.0214
44
+ 32 CG 61.0300 20.1980 33.6810 C.ar 1 0Q4 -0.0386
45
+ 33 CD1 62.3990 20.0230 33.5480 C.ar 1 0Q4 -0.0601
46
+ 34 CD2 60.4980 20.4190 34.9480 C.ar 1 0Q4 -0.0601
47
+ 35 CE1 63.2270 20.0520 34.6550 C.ar 1 0Q4 -0.0686
48
+ 36 CE2 61.3080 20.4500 36.0610 C.ar 1 0Q4 -0.0686
49
+ 37 CZ 62.6720 20.2620 35.9190 C.ar 1 0Q4 -0.0687
50
+ 38 N 61.0460 16.9280 33.4910 N.am 1 0Q4 -0.2635
51
+ 39 CA 61.1040 15.9430 34.5730 C.3 1 0Q4 0.1325
52
+ 40 C 62.5210 15.9540 35.1270 C.2 1 0Q4 0.2040
53
+ 41 O 63.5140 15.7680 34.4230 O.2 1 0Q4 -0.3944
54
+ 42 CB 60.6670 14.5720 34.0260 C.3 1 0Q4 -0.0008
55
+ 43 CG 60.8330 13.3810 34.9590 C.3 1 0Q4 0.0044
56
+ 44 CD 62.2940 12.9710 35.1210 C.2 1 0Q4 0.0350
57
+ 45 OE1 63.0510 13.2100 34.1510 O.co2 1 0Q4 -0.5690
58
+ 46 OE2 62.6960 12.4490 36.2020 O.co2 1 0Q4 -0.5690
59
+ 47 N 62.6330 16.2310 36.3980 N.am 1 0Q4 -0.2640
60
+ 48 CA 63.9490 16.2950 36.9880 C.3 1 0Q4 0.1282
61
+ 49 C 64.0660 15.3140 38.1270 C.2 1 0Q4 0.2036
62
+ 50 O 63.1280 15.1480 38.9200 O.2 1 0Q4 -0.3944
63
+ 51 CB 64.2270 17.7130 37.4750 C.3 1 0Q4 -0.0244
64
+ 52 N 65.2230 14.6810 38.2110 N.am 1 0Q4 -0.2637
65
+ 53 CA 65.5060 13.7020 39.2450 C.3 1 0Q4 0.1306
66
+ 54 C 64.7380 13.8600 40.5620 C.2 1 0Q4 0.1992
67
+ 55 O 64.9380 14.8420 41.3310 O.2 1 0Q4 -0.3947
68
+ 56 CB 67.0020 13.6810 39.5010 C.3 1 0Q4 -0.0124
69
+ 57 CG 67.7940 13.0550 38.3560 C.3 1 0Q4 -0.0491
70
+ 58 CD 67.7570 11.5290 38.4250 C.3 1 0Q4 -0.0557
71
+ 59 CE 68.9090 10.9520 37.6030 C.3 1 0Q4 -0.0653
72
+ 60 N 63.8820 12.9800 40.7800 N.am 1 0Q4 -0.2990
73
+ 61 H1 49.8931 20.3596 27.1872 H 1 0Q4 0.2015
74
+ 62 H2 51.2460 20.3839 26.2499 H 1 0Q4 0.2015
75
+ 63 H3 50.9674 21.5990 27.3248 H 1 0Q4 0.2015
76
+ 64 H4 51.1936 20.1260 29.1873 H 1 0Q4 0.1098
77
+ 65 H5 52.2181 17.8322 28.6495 H 1 0Q4 0.0347
78
+ 66 H6 51.6592 18.0932 26.9625 H 1 0Q4 0.0347
79
+ 67 H7 50.1627 16.6160 28.2936 H 1 0Q4 0.0302
80
+ 68 H8 49.3431 18.0845 27.6625 H 1 0Q4 0.0302
81
+ 69 H9 49.4740 19.1485 29.8989 H 1 0Q4 0.0689
82
+ 70 H10 50.3642 17.7273 30.5426 H 1 0Q4 0.0689
83
+ 71 H11 47.5292 18.0316 30.4142 H 1 0Q4 0.2642
84
+ 72 H12 48.9557 14.2512 29.9678 H 1 0Q4 0.2615
85
+ 73 H13 50.0458 15.6342 29.6817 H 1 0Q4 0.2615
86
+ 74 H14 46.1610 16.2512 30.7257 H 1 0Q4 0.2615
87
+ 75 H15 46.7864 14.5954 30.5026 H 1 0Q4 0.2615
88
+ 76 H16 53.1058 20.1121 30.1791 H 1 0Q4 0.1885
89
+ 77 H17 55.5947 20.7214 28.6297 H 1 0Q4 0.0802
90
+ 78 H18 54.8760 21.7085 31.4339 H 1 0Q4 0.0343
91
+ 79 H19 56.6646 23.3511 30.9762 H 1 0Q4 0.0234
92
+ 80 H20 56.9217 22.6118 29.3594 H 1 0Q4 0.0234
93
+ 81 H21 57.2552 21.6598 30.8457 H 1 0Q4 0.0234
94
+ 82 H22 53.1976 22.5998 29.8495 H 1 0Q4 0.0234
95
+ 83 H23 54.5201 23.2260 28.8077 H 1 0Q4 0.0234
96
+ 84 H24 54.2903 23.8872 30.4620 H 1 0Q4 0.0234
97
+ 85 H25 56.5253 18.6818 28.7536 H 1 0Q4 0.1883
98
+ 86 H26 56.1320 17.1722 31.2314 H 1 0Q4 0.0800
99
+ 87 H27 56.7619 15.1902 29.9882 H 1 0Q4 0.0315
100
+ 88 H28 57.1973 16.1965 28.5654 H 1 0Q4 0.0315
101
+ 89 H29 54.8409 17.2045 28.7619 H 1 0Q4 0.0298
102
+ 90 H30 53.7264 15.3843 27.5595 H 1 0Q4 0.0232
103
+ 91 H31 55.0530 14.2665 28.0258 H 1 0Q4 0.0232
104
+ 92 H32 55.3958 15.6730 26.9624 H 1 0Q4 0.0232
105
+ 93 H33 54.4810 16.4314 31.0685 H 1 0Q4 0.0232
106
+ 94 H34 54.4231 14.7351 30.4806 H 1 0Q4 0.0232
107
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1a94/1a94_protein_processed_fix.pdb ADDED
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+ $$$$
1aaq/1aaq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1aaq/1aaq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff