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THU-ATOM
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PDBbind_test

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linbc20 commited on
Commit
74032e7
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1 Parent(s): 4a5f7c4

Add batch 2

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Files changed (50) hide show
  1. 6a6k/6a6k_ligand.mol2 +161 -0
  2. 6a6k/6a6k_ligand.sdf +151 -0
  3. 6a6k/6a6k_protein_alphafold_aligned_tr_fix.pdb +0 -0
  4. 6a6k/6a6k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  5. 6a6k/6a6k_protein_processed_fix.pdb +0 -0
  6. 6a6k/6a6k_rdkit_ligand.pdb +105 -0
  7. 6a73/6a73_ligand.mol2 +100 -0
  8. 6a73/6a73_ligand.sdf +114 -0
  9. 6a73/6a73_protein_alphafold_aligned_tr_fix.pdb +0 -0
  10. 6a73/6a73_protein_esmfold_aligned_tr_fix.pdb +0 -0
  11. 6a73/6a73_protein_processed_fix.pdb +0 -0
  12. 6a73/6a73_rdkit_ligand.pdb +86 -0
  13. 6a87/6a87_ligand.mol2 +123 -0
  14. 6a87/6a87_ligand.sdf +113 -0
  15. 6a87/6a87_protein_alphafold_aligned_tr_fix.pdb +613 -0
  16. 6a87/6a87_protein_esmfold_aligned_tr_fix.pdb +613 -0
  17. 6a87/6a87_protein_processed_fix.pdb +1187 -0
  18. 6a87/6a87_rdkit_ligand.pdb +77 -0
  19. 6agt/6agt_ligand.mol2 +98 -0
  20. 6agt/6agt_ligand.sdf +88 -0
  21. 6agt/6agt_protein_alphafold_aligned_tr_fix.pdb +0 -0
  22. 6agt/6agt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  23. 6agt/6agt_protein_processed_fix.pdb +0 -0
  24. 6agt/6agt_rdkit_ligand.pdb +60 -0
  25. 6ahs/6ahs_ligand.mol2 +107 -0
  26. 6ahs/6ahs_ligand.sdf +97 -0
  27. 6ahs/6ahs_protein_alphafold_aligned_tr_fix.pdb +0 -0
  28. 6ahs/6ahs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  29. 6ahs/6ahs_protein_processed_fix.pdb +0 -0
  30. 6ahs/6ahs_rdkit_ligand.pdb +68 -0
  31. 6bqd/6bqd_ligand.mol2 +110 -0
  32. 6bqd/6bqd_ligand.sdf +98 -0
  33. 6bqd/6bqd_protein_alphafold_aligned_tr_fix.pdb +1054 -0
  34. 6bqd/6bqd_protein_esmfold_aligned_tr_fix.pdb +1054 -0
  35. 6bqd/6bqd_protein_processed_fix.pdb +0 -0
  36. 6bqd/6bqd_rdkit_ligand.pdb +70 -0
  37. 6c85/6c85_ligand.mol2 +48 -0
  38. 6c85/6c85_ligand.sdf +38 -0
  39. 6c85/6c85_protein_alphafold_aligned_tr_fix.pdb +0 -0
  40. 6c85/6c85_protein_esmfold_aligned_tr_fix.pdb +0 -0
  41. 6c85/6c85_protein_processed_fix.pdb +0 -0
  42. 6c85/6c85_rdkit_ligand.pdb +25 -0
  43. 6cf7/6cf7_ligand.mol2 +157 -0
  44. 6cf7/6cf7_ligand.sdf +147 -0
  45. 6cf7/6cf7_protein_alphafold_aligned_tr_fix.pdb +0 -0
  46. 6cf7/6cf7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  47. 6cf7/6cf7_protein_processed_fix.pdb +0 -0
  48. 6cf7/6cf7_rdkit_ligand.pdb +106 -0
  49. 6cjj/6cjj_ligand.mol2 +96 -0
  50. 6cjj/6cjj_ligand.sdf +92 -0
6a6k/6a6k_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Aug 2 16:12:33 2021
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+ ###
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6a6k/6a6k_ligand.sdf ADDED
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+ $$$$
6a6k/6a6k_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6a6k/6a6k_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6a6k/6a6k_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6a6k/6a6k_rdkit_ligand.pdb ADDED
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+ COMPND 6a6k_ligand
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+ HETATM 1 C1 UNL 1 -0.081 0.943 -1.253 1.00 0.00 C
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+ HETATM 2 C2 UNL 1 -0.884 0.368 -0.274 1.00 0.00 C
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+ HETATM 3 C3 UNL 1 -0.238 -0.027 0.867 1.00 0.00 C
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+ HETATM 4 C4 UNL 1 -3.077 1.480 -0.847 1.00 0.00 C
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+ HETATM 5 C5 UNL 1 -3.965 1.570 -1.888 1.00 0.00 C
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+ HETATM 6 C6 UNL 1 -2.861 2.607 -0.060 1.00 0.00 C
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+ HETATM 7 C7 UNL 1 -3.003 -0.879 -0.457 1.00 0.00 C
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90
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92
+ CONECT 20 32 58 59
93
+ CONECT 21 22 32 60 61
94
+ CONECT 22 31 62 63
95
+ CONECT 23 24 24 25 32
96
+ CONECT 24 64
97
+ CONECT 25 65
98
+ CONECT 27 28 28 33
99
+ CONECT 28 29 66
100
+ CONECT 29 67
101
+ CONECT 30 68
102
+ CONECT 31 69
103
+ CONECT 33 70
104
+ CONECT 34 71
105
+ END
6a73/6a73_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Aug 2 16:12:33 2021
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+ ###
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+
6a73/6a73_ligand.sdf ADDED
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+ M END
114
+ $$$$
6a73/6a73_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6a73/6a73_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6a73/6a73_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6a73/6a73_rdkit_ligand.pdb ADDED
@@ -0,0 +1,86 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6a73_ligand
2
+ HETATM 1 C1 UNL 1 -0.312 -1.387 0.167 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -1.062 -0.494 -0.809 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -1.160 0.837 -0.129 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 0.170 1.561 -0.265 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 1.251 0.555 -0.251 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 0.954 -0.695 0.531 1.00 0.00 C
8
+ HETATM 7 O1 UNL 1 -0.080 -2.586 -0.487 1.00 0.00 O
9
+ HETATM 8 P1 UNL 1 -0.896 -3.803 0.373 1.00 0.00 P
10
+ HETATM 9 O2 UNL 1 -0.027 -5.257 0.207 1.00 0.00 O
11
+ HETATM 10 O3 UNL 1 -2.321 -3.964 -0.106 1.00 0.00 O
12
+ HETATM 11 O4 UNL 1 -0.859 -3.364 2.010 1.00 0.00 O
13
+ HETATM 12 O5 UNL 1 -2.311 -1.024 -1.123 1.00 0.00 O
14
+ HETATM 13 P2 UNL 1 -2.418 -1.258 -2.804 1.00 0.00 P
15
+ HETATM 14 O6 UNL 1 -3.126 0.093 -3.550 1.00 0.00 O
16
+ HETATM 15 O7 UNL 1 -0.856 -1.500 -3.421 1.00 0.00 O
17
+ HETATM 16 O8 UNL 1 -3.246 -2.499 -3.045 1.00 0.00 O
18
+ HETATM 17 O9 UNL 1 -2.225 1.604 -0.581 1.00 0.00 O
19
+ HETATM 18 P3 UNL 1 -3.329 1.947 0.653 1.00 0.00 P
20
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21
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22
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23
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24
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26
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28
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29
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+ HETATM 54 H18 UNL 1 2.233 -3.114 3.770 1.00 0.00 H
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+ CONECT 1 2 6 7 37
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+ CONECT 33 34 35 35 36
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+ CONECT 34 53
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+ CONECT 36 54
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+ END
6a87/6a87_ligand.mol2 ADDED
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+
6a87/6a87_ligand.sdf ADDED
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1
+ ATOM 1 C ALA A 1 -9.755 20.011 -12.414 1.00 38.73 C
2
+ ATOM 2 CA ALA A 1 -9.326 18.647 -12.948 1.00 38.73 C
3
+ ATOM 3 CB ALA A 1 -7.825 18.636 -13.225 1.00 38.73 C
4
+ ATOM 4 N ALA A 1 -10.069 18.301 -14.157 1.00 38.73 N
5
+ ATOM 5 O ALA A 1 -10.169 20.883 -13.181 1.00 38.73 O
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+ ATOM 6 C PRO A 2 -9.643 22.484 -10.984 1.00 46.88 C
7
+ ATOM 7 CA PRO A 2 -10.613 21.369 -10.601 1.00 46.88 C
8
+ ATOM 8 CB PRO A 2 -10.619 21.147 -9.087 1.00 46.88 C
9
+ ATOM 9 CD PRO A 2 -9.755 19.181 -10.229 1.00 46.88 C
10
+ ATOM 10 CG PRO A 2 -9.922 19.839 -8.890 1.00 46.88 C
11
+ ATOM 11 N PRO A 2 -10.214 20.065 -11.132 1.00 46.88 N
12
+ ATOM 12 O PRO A 2 -8.428 22.274 -10.995 1.00 46.88 O
13
+ ATOM 13 C VAL A 3 -8.711 25.207 -10.972 1.00 57.64 C
14
+ ATOM 14 CA VAL A 3 -9.061 24.400 -12.221 1.00 57.64 C
15
+ ATOM 15 CB VAL A 3 -9.718 25.314 -13.279 1.00 57.64 C
16
+ ATOM 16 CG1 VAL A 3 -8.755 26.419 -13.711 1.00 57.64 C
17
+ ATOM 17 CG2 VAL A 3 -10.170 24.493 -14.485 1.00 57.64 C
18
+ ATOM 18 N VAL A 3 -9.930 23.285 -11.861 1.00 57.64 N
19
+ ATOM 19 O VAL A 3 -9.601 25.675 -10.258 1.00 57.64 O
20
+ ATOM 20 C PRO A 4 -7.434 27.427 -9.519 1.00 61.72 C
21
+ ATOM 21 CA PRO A 4 -7.119 25.938 -9.393 1.00 61.72 C
22
+ ATOM 22 CB PRO A 4 -5.607 25.704 -9.320 1.00 61.72 C
23
+ ATOM 23 CD PRO A 4 -6.523 24.689 -11.331 1.00 61.72 C
24
+ ATOM 24 CG PRO A 4 -5.253 25.079 -10.630 1.00 61.72 C
25
+ ATOM 25 N PRO A 4 -7.520 25.173 -10.576 1.00 61.72 N
26
+ ATOM 26 O PRO A 4 -7.299 28.001 -10.602 1.00 61.72 O
27
+ ATOM 27 C VAL A 5 -7.135 29.964 -7.822 1.00 65.71 C
28
+ ATOM 28 CA VAL A 5 -8.306 29.284 -8.527 1.00 65.71 C
29
+ ATOM 29 CB VAL A 5 -9.624 29.578 -7.775 1.00 65.71 C
30
+ ATOM 30 CG1 VAL A 5 -10.235 30.894 -8.251 1.00 65.71 C
31
+ ATOM 31 CG2 VAL A 5 -10.612 28.428 -7.963 1.00 65.71 C
32
+ ATOM 32 N VAL A 5 -8.056 27.850 -8.629 1.00 65.71 N
33
+ ATOM 33 O VAL A 5 -6.700 29.520 -6.758 1.00 65.71 O
34
+ ATOM 34 C THR A 6 -5.690 32.735 -7.154 1.00 67.91 C
35
+ ATOM 35 CA THR A 6 -5.256 31.568 -8.035 1.00 67.91 C
36
+ ATOM 36 CB THR A 6 -4.312 32.078 -9.140 1.00 67.91 C
37
+ ATOM 37 CG2 THR A 6 -3.330 30.993 -9.568 1.00 67.91 C
38
+ ATOM 38 N THR A 6 -6.415 30.888 -8.602 1.00 67.91 N
39
+ ATOM 39 O THR A 6 -5.025 33.055 -6.166 1.00 67.91 O
40
+ ATOM 40 OG1 THR A 6 -5.089 32.479 -10.276 1.00 67.91 O
41
+ ATOM 41 C LYS A 7 -8.781 34.551 -6.991 1.00 68.91 C
42
+ ATOM 42 CA LYS A 7 -7.263 34.445 -6.875 1.00 68.91 C
43
+ ATOM 43 CB LYS A 7 -6.608 35.733 -7.376 1.00 68.91 C
44
+ ATOM 44 CD LYS A 7 -5.635 37.982 -6.798 1.00 68.91 C
45
+ ATOM 45 CE LYS A 7 -5.573 39.098 -5.764 1.00 68.91 C
46
+ ATOM 46 CG LYS A 7 -6.510 36.828 -6.324 1.00 68.91 C
47
+ ATOM 47 N LYS A 7 -6.758 33.291 -7.613 1.00 68.91 N
48
+ ATOM 48 NZ LYS A 7 -4.481 40.072 -6.066 1.00 68.91 N
49
+ ATOM 49 O LYS A 7 -9.349 34.267 -8.048 1.00 68.91 O
50
+ ATOM 50 C LEU A 8 -11.213 36.316 -5.113 1.00 68.36 C
51
+ ATOM 51 CA LEU A 8 -10.876 35.023 -5.845 1.00 68.36 C
52
+ ATOM 52 CB LEU A 8 -11.576 33.842 -5.167 1.00 68.36 C
53
+ ATOM 53 CD1 LEU A 8 -13.680 33.648 -6.517 1.00 68.36 C
54
+ ATOM 54 CD2 LEU A 8 -13.647 32.873 -4.130 1.00 68.36 C
55
+ ATOM 55 CG LEU A 8 -13.104 33.893 -5.127 1.00 68.36 C
56
+ ATOM 56 N LEU A 8 -9.433 34.807 -5.885 1.00 68.36 N
57
+ ATOM 57 O LEU A 8 -10.775 36.526 -3.979 1.00 68.36 O
58
+ ATOM 58 C VAL A 9 -13.716 38.629 -5.347 1.00 66.86 C
59
+ ATOM 59 CA VAL A 9 -12.198 38.499 -5.247 1.00 66.86 C
60
+ ATOM 60 CB VAL A 9 -11.515 39.701 -5.936 1.00 66.86 C
61
+ ATOM 61 CG1 VAL A 9 -11.952 41.014 -5.290 1.00 66.86 C
62
+ ATOM 62 CG2 VAL A 9 -9.995 39.554 -5.880 1.00 66.86 C
63
+ ATOM 63 N VAL A 9 -11.771 37.232 -5.832 1.00 66.86 N
64
+ ATOM 64 O VAL A 9 -14.291 38.469 -6.426 1.00 66.86 O
65
+ ATOM 65 C CYS A 10 -16.181 40.296 -3.550 1.00 68.42 C
66
+ ATOM 66 CA CYS A 10 -15.837 38.945 -4.165 1.00 68.42 C
67
+ ATOM 67 CB CYS A 10 -16.540 37.829 -3.393 1.00 68.42 C
68
+ ATOM 68 N CYS A 10 -14.394 38.729 -4.175 1.00 68.42 N
69
+ ATOM 69 O CYS A 10 -15.671 40.647 -2.484 1.00 68.42 O
70
+ ATOM 70 SG CYS A 10 -16.371 36.200 -4.152 1.00 68.42 S
71
+ ATOM 71 C ASP A 11 -18.722 42.165 -3.164 1.00 60.14 C
72
+ ATOM 72 CA ASP A 11 -17.374 42.358 -3.856 1.00 60.14 C
73
+ ATOM 73 CB ASP A 11 -17.499 43.396 -4.972 1.00 60.14 C
74
+ ATOM 74 CG ASP A 11 -17.549 44.823 -4.453 1.00 60.14 C
75
+ ATOM 75 N ASP A 11 -16.870 41.095 -4.385 1.00 60.14 N
76
+ ATOM 76 O ASP A 11 -19.682 41.702 -3.783 1.00 60.14 O
77
+ ATOM 77 OD1 ASP A 11 -16.480 45.418 -4.199 1.00 60.14 O
78
+ ATOM 78 OD2 ASP A 11 -18.669 45.355 -4.293 1.00 60.14 O
79
+ ATOM 79 C GLY A 12 -20.952 43.096 -1.504 1.00 59.97 C
80
+ ATOM 80 CA GLY A 12 -19.915 42.043 -1.162 1.00 59.97 C
81
+ ATOM 81 N GLY A 12 -18.694 42.168 -1.943 1.00 59.97 N
82
+ ATOM 82 O GLY A 12 -22.138 42.922 -1.216 1.00 59.97 O
83
+ ATOM 83 C ASP A 13 -22.190 44.900 -3.626 1.00 60.94 C
84
+ ATOM 84 CA ASP A 13 -21.383 45.222 -2.370 1.00 60.94 C
85
+ ATOM 85 CB ASP A 13 -20.596 46.519 -2.569 1.00 60.94 C
86
+ ATOM 86 CG ASP A 13 -21.446 47.763 -2.378 1.00 60.94 C
87
+ ATOM 87 N ASP A 13 -20.482 44.124 -2.030 1.00 60.94 N
88
+ ATOM 88 O ASP A 13 -23.406 45.105 -3.658 1.00 60.94 O
89
+ ATOM 89 OD1 ASP A 13 -21.622 48.212 -1.226 1.00 60.94 O
90
+ ATOM 90 OD2 ASP A 13 -21.949 48.297 -3.392 1.00 60.94 O
91
+ ATOM 91 C THR A 14 -22.456 42.577 -6.080 1.00 62.63 C
92
+ ATOM 92 CA THR A 14 -22.132 44.059 -5.920 1.00 62.63 C
93
+ ATOM 93 CB THR A 14 -21.234 44.520 -7.084 1.00 62.63 C
94
+ ATOM 94 CG2 THR A 14 -21.329 46.028 -7.288 1.00 62.63 C
95
+ ATOM 95 N THR A 14 -21.498 44.314 -4.631 1.00 62.63 N
96
+ ATOM 96 O THR A 14 -23.048 42.171 -7.083 1.00 62.63 O
97
+ ATOM 97 OG1 THR A 14 -19.874 44.172 -6.798 1.00 62.63 O
98
+ ATOM 98 C TYR A 15 -21.710 39.779 -6.395 1.00 63.23 C
99
+ ATOM 99 CA TYR A 15 -22.350 40.390 -5.154 1.00 63.23 C
100
+ ATOM 100 CB TYR A 15 -23.851 40.081 -5.134 1.00 63.23 C
101
+ ATOM 101 CD1 TYR A 15 -24.609 39.882 -2.733 1.00 63.23 C
102
+ ATOM 102 CD2 TYR A 15 -25.197 41.853 -3.947 1.00 63.23 C
103
+ ATOM 103 CE1 TYR A 15 -25.267 40.369 -1.609 1.00 63.23 C
104
+ ATOM 104 CE2 TYR A 15 -25.859 42.350 -2.829 1.00 63.23 C
105
+ ATOM 105 CG TYR A 15 -24.565 40.615 -3.917 1.00 63.23 C
106
+ ATOM 106 CZ TYR A 15 -25.888 41.603 -1.666 1.00 63.23 C
107
+ ATOM 107 N TYR A 15 -22.125 41.830 -5.105 1.00 63.23 N
108
+ ATOM 108 O TYR A 15 -22.277 38.875 -7.012 1.00 63.23 O
109
+ ATOM 109 OH TYR A 15 -26.542 42.090 -0.556 1.00 63.23 O
110
+ ATOM 110 C LYS A 16 -18.589 39.311 -7.532 1.00 67.47 C
111
+ ATOM 111 CA LYS A 16 -19.911 39.905 -8.012 1.00 67.47 C
112
+ ATOM 112 CB LYS A 16 -19.650 40.984 -9.065 1.00 67.47 C
113
+ ATOM 113 CD LYS A 16 -20.506 41.737 -11.309 1.00 67.47 C
114
+ ATOM 114 CE LYS A 16 -21.606 42.548 -11.979 1.00 67.47 C
115
+ ATOM 115 CG LYS A 16 -20.877 41.364 -9.879 1.00 67.47 C
116
+ ATOM 116 N LYS A 16 -20.676 40.454 -6.896 1.00 67.47 N
117
+ ATOM 117 NZ LYS A 16 -21.187 43.044 -13.324 1.00 67.47 N
118
+ ATOM 118 O LYS A 16 -17.913 39.894 -6.682 1.00 67.47 O
119
+ ATOM 119 C CYS A 17 -16.330 37.232 -8.967 1.00 74.13 C
120
+ ATOM 120 CA CYS A 17 -17.151 37.491 -7.709 1.00 74.13 C
121
+ ATOM 121 CB CYS A 17 -17.394 36.176 -6.969 1.00 74.13 C
122
+ ATOM 122 N CYS A 17 -18.417 38.137 -8.035 1.00 74.13 N
123
+ ATOM 123 O CYS A 17 -16.884 36.902 -10.018 1.00 74.13 O
124
+ ATOM 124 SG CYS A 17 -17.627 36.374 -5.189 1.00 74.13 S
125
+ ATOM 125 C THR A 18 -13.007 36.280 -9.463 1.00 72.72 C
126
+ ATOM 126 CA THR A 18 -14.040 37.315 -9.899 1.00 72.72 C
127
+ ATOM 127 CB THR A 18 -13.323 38.605 -10.340 1.00 72.72 C
128
+ ATOM 128 CG2 THR A 18 -12.454 38.359 -11.568 1.00 72.72 C
129
+ ATOM 129 N THR A 18 -14.992 37.579 -8.825 1.00 72.72 N
130
+ ATOM 130 O THR A 18 -12.352 36.444 -8.432 1.00 72.72 O
131
+ ATOM 131 OG1 THR A 18 -14.302 39.604 -10.653 1.00 72.72 O
132
+ ATOM 132 C ALA A 19 -10.970 34.195 -11.071 1.00 73.68 C
133
+ ATOM 133 CA ALA A 19 -11.988 34.277 -9.937 1.00 73.68 C
134
+ ATOM 134 CB ALA A 19 -12.666 32.925 -9.736 1.00 73.68 C
135
+ ATOM 135 N ALA A 19 -12.985 35.312 -10.201 1.00 73.68 N
136
+ ATOM 136 O ALA A 19 -11.342 34.164 -12.247 1.00 73.68 O
137
+ ATOM 137 C TYR A 20 -8.260 32.515 -11.579 1.00 74.27 C
138
+ ATOM 138 CA TYR A 20 -8.677 33.980 -11.540 1.00 74.27 C
139
+ ATOM 139 CB TYR A 20 -7.475 34.857 -11.178 1.00 74.27 C
140
+ ATOM 140 CD1 TYR A 20 -7.356 37.045 -12.433 1.00 74.27 C
141
+ ATOM 141 CD2 TYR A 20 -8.386 37.029 -10.277 1.00 74.27 C
142
+ ATOM 142 CE1 TYR A 20 -7.601 38.410 -12.547 1.00 74.27 C
143
+ ATOM 143 CE2 TYR A 20 -8.636 38.394 -10.381 1.00 74.27 C
144
+ ATOM 144 CG TYR A 20 -7.744 36.337 -11.299 1.00 74.27 C
145
+ ATOM 145 CZ TYR A 20 -8.241 39.074 -11.517 1.00 74.27 C
146
+ ATOM 146 N TYR A 20 -9.766 34.187 -10.591 1.00 74.27 N
147
+ ATOM 147 O TYR A 20 -7.872 31.946 -10.556 1.00 74.27 O
148
+ ATOM 148 OH TYR A 20 -8.486 40.425 -11.625 1.00 74.27 O
149
+ ATOM 149 C LEU A 21 -6.767 30.413 -13.481 1.00 69.47 C
150
+ ATOM 150 CA LEU A 21 -8.175 30.650 -12.946 1.00 69.47 C
151
+ ATOM 151 CB LEU A 21 -9.205 30.029 -13.893 1.00 69.47 C
152
+ ATOM 152 CD1 LEU A 21 -11.548 29.988 -14.783 1.00 69.47 C
153
+ ATOM 153 CD2 LEU A 21 -11.122 29.514 -12.357 1.00 69.47 C
154
+ ATOM 154 CG LEU A 21 -10.674 30.312 -13.576 1.00 69.47 C
155
+ ATOM 155 N LEU A 21 -8.433 32.076 -12.774 1.00 69.47 N
156
+ ATOM 156 O LEU A 21 -6.255 31.212 -14.268 1.00 69.47 O
157
+ ATOM 157 C ASP A 22 -5.048 28.043 -14.265 1.00 64.99 C
158
+ ATOM 158 CA ASP A 22 -4.857 29.162 -13.244 1.00 64.99 C
159
+ ATOM 159 CB ASP A 22 -3.939 28.692 -12.114 1.00 64.99 C
160
+ ATOM 160 CG ASP A 22 -2.496 28.522 -12.554 1.00 64.99 C
161
+ ATOM 161 N ASP A 22 -6.139 29.610 -12.710 1.00 64.99 N
162
+ ATOM 162 O ASP A 22 -4.595 26.916 -14.051 1.00 64.99 O
163
+ ATOM 163 OD1 ASP A 22 -1.877 29.507 -13.011 1.00 64.99 O
164
+ ATOM 164 OD2 ASP A 22 -1.973 27.392 -12.446 1.00 64.99 O
165
+ ATOM 165 C TYR A 23 -5.414 27.671 -17.336 1.00 64.73 C
166
+ ATOM 166 CA TYR A 23 -6.248 27.377 -16.095 1.00 64.73 C
167
+ ATOM 167 CB TYR A 23 -7.735 27.335 -16.463 1.00 64.73 C
168
+ ATOM 168 CD1 TYR A 23 -8.316 25.938 -18.485 1.00 64.73 C
169
+ ATOM 169 CD2 TYR A 23 -8.422 24.911 -16.331 1.00 64.73 C
170
+ ATOM 170 CE1 TYR A 23 -8.714 24.746 -19.081 1.00 64.73 C
171
+ ATOM 171 CE2 TYR A 23 -8.820 23.713 -16.916 1.00 64.73 C
172
+ ATOM 172 CG TYR A 23 -8.164 26.038 -17.104 1.00 64.73 C
173
+ ATOM 173 CZ TYR A 23 -8.963 23.641 -18.289 1.00 64.73 C
174
+ ATOM 174 N TYR A 23 -6.005 28.372 -15.056 1.00 64.73 N
175
+ ATOM 175 O TYR A 23 -5.542 28.739 -17.939 1.00 64.73 O
176
+ ATOM 176 OH TYR A 23 -9.358 22.457 -18.873 1.00 64.73 O
177
+ ATOM 177 C GLY A 24 -2.529 27.988 -18.539 1.00 62.67 C
178
+ ATOM 178 CA GLY A 24 -3.608 26.941 -18.735 1.00 62.67 C
179
+ ATOM 179 N GLY A 24 -4.447 26.759 -17.560 1.00 62.67 N
180
+ ATOM 180 O GLY A 24 -1.568 27.767 -17.799 1.00 62.67 O
181
+ ATOM 181 C ASP A 25 -2.081 31.214 -17.898 1.00 67.53 C
182
+ ATOM 182 CA ASP A 25 -1.882 30.335 -19.131 1.00 67.53 C
183
+ ATOM 183 CB ASP A 25 -2.005 31.177 -20.403 1.00 67.53 C
184
+ ATOM 184 CG ASP A 25 -3.343 31.887 -20.517 1.00 67.53 C
185
+ ATOM 185 N ASP A 25 -2.839 29.233 -19.151 1.00 67.53 N
186
+ ATOM 186 O ASP A 25 -1.225 32.038 -17.571 1.00 67.53 O
187
+ ATOM 187 OD1 ASP A 25 -3.444 33.066 -20.114 1.00 67.53 O
188
+ ATOM 188 OD2 ASP A 25 -4.305 31.260 -21.012 1.00 67.53 O
189
+ ATOM 189 C GLY A 26 -4.051 32.877 -16.187 1.00 68.02 C
190
+ ATOM 190 CA GLY A 26 -3.357 31.565 -15.873 1.00 68.02 C
191
+ ATOM 191 N GLY A 26 -3.102 30.756 -17.053 1.00 68.02 N
192
+ ATOM 192 O GLY A 26 -3.995 33.821 -15.396 1.00 68.02 O
193
+ ATOM 193 C LYS A 27 -6.682 34.144 -17.946 1.00 75.70 C
194
+ ATOM 194 CA LYS A 27 -5.169 34.313 -17.832 1.00 75.70 C
195
+ ATOM 195 CB LYS A 27 -4.592 34.789 -19.166 1.00 75.70 C
196
+ ATOM 196 CD LYS A 27 -2.769 36.412 -19.782 1.00 75.70 C
197
+ ATOM 197 CE LYS A 27 -1.328 36.457 -20.268 1.00 75.70 C
198
+ ATOM 198 CG LYS A 27 -3.099 35.077 -19.127 1.00 75.70 C
199
+ ATOM 199 N LYS A 27 -4.531 33.069 -17.412 1.00 75.70 N
200
+ ATOM 200 NZ LYS A 27 -0.962 37.805 -20.797 1.00 75.70 N
201
+ ATOM 201 O LYS A 27 -7.333 34.847 -18.722 1.00 75.70 O
202
+ ATOM 202 C TRP A 28 -9.209 33.560 -16.040 1.00 73.99 C
203
+ ATOM 203 CA TRP A 28 -8.551 32.972 -17.284 1.00 73.99 C
204
+ ATOM 204 CB TRP A 28 -8.877 31.481 -17.394 1.00 73.99 C
205
+ ATOM 205 CD1 TRP A 28 -7.228 30.242 -18.921 1.00 73.99 C
206
+ ATOM 206 CD2 TRP A 28 -9.170 30.776 -19.899 1.00 73.99 C
207
+ ATOM 207 CE2 TRP A 28 -8.360 30.107 -20.841 1.00 73.99 C
208
+ ATOM 208 CE3 TRP A 28 -10.445 31.211 -20.287 1.00 73.99 C
209
+ ATOM 209 CG TRP A 28 -8.427 30.852 -18.679 1.00 73.99 C
210
+ ATOM 210 CH2 TRP A 28 -10.035 30.295 -22.503 1.00 73.99 C
211
+ ATOM 211 CZ2 TRP A 28 -8.784 29.859 -22.149 1.00 73.99 C
212
+ ATOM 212 CZ3 TRP A 28 -10.865 30.965 -21.589 1.00 73.99 C
213
+ ATOM 213 N TRP A 28 -7.107 33.182 -17.256 1.00 73.99 N
214
+ ATOM 214 NE1 TRP A 28 -7.181 29.791 -20.220 1.00 73.99 N
215
+ ATOM 215 O TRP A 28 -8.702 33.400 -14.928 1.00 73.99 O
216
+ ATOM 216 C VAL A 29 -12.417 34.583 -15.295 1.00 73.53 C
217
+ ATOM 217 CA VAL A 29 -10.951 35.012 -15.246 1.00 73.53 C
218
+ ATOM 218 CB VAL A 29 -10.843 36.551 -15.332 1.00 73.53 C
219
+ ATOM 219 CG1 VAL A 29 -9.413 37.007 -15.052 1.00 73.53 C
220
+ ATOM 220 CG2 VAL A 29 -11.306 37.041 -16.702 1.00 73.53 C
221
+ ATOM 221 N VAL A 29 -10.211 34.360 -16.321 1.00 73.53 N
222
+ ATOM 222 O VAL A 29 -12.983 34.408 -16.376 1.00 73.53 O
223
+ ATOM 223 C ALA A 30 -15.082 35.010 -13.317 1.00 73.04 C
224
+ ATOM 224 CA ALA A 30 -14.369 33.996 -14.207 1.00 73.04 C
225
+ ATOM 225 CB ALA A 30 -14.547 32.586 -13.650 1.00 73.04 C
226
+ ATOM 226 N ALA A 30 -12.950 34.316 -14.335 1.00 73.04 N
227
+ ATOM 227 O ALA A 30 -14.613 35.319 -12.220 1.00 73.04 O
228
+ ATOM 228 C GLN A 31 -18.420 36.141 -12.965 1.00 71.05 C
229
+ ATOM 229 CA GLN A 31 -16.971 36.609 -13.070 1.00 71.05 C
230
+ ATOM 230 CB GLN A 31 -16.915 37.998 -13.709 1.00 71.05 C
231
+ ATOM 231 CD GLN A 31 -16.962 40.502 -13.345 1.00 71.05 C
232
+ ATOM 232 CG GLN A 31 -17.206 39.134 -12.738 1.00 71.05 C
233
+ ATOM 233 N GLN A 31 -16.165 35.661 -13.832 1.00 71.05 N
234
+ ATOM 234 NE2 GLN A 31 -15.977 41.219 -12.815 1.00 71.05 N
235
+ ATOM 235 O GLN A 31 -18.967 35.580 -13.916 1.00 71.05 O
236
+ ATOM 236 OE1 GLN A 31 -17.651 40.911 -14.285 1.00 71.05 O
237
+ ATOM 237 C TRP A 32 -21.059 36.530 -10.559 1.00 70.46 C
238
+ ATOM 238 CA TRP A 32 -20.373 35.774 -11.691 1.00 70.46 C
239
+ ATOM 239 CB TRP A 32 -20.427 34.267 -11.423 1.00 70.46 C
240
+ ATOM 240 CD1 TRP A 32 -20.102 33.773 -8.925 1.00 70.46 C
241
+ ATOM 241 CD2 TRP A 32 -18.286 33.410 -10.184 1.00 70.46 C
242
+ ATOM 242 CE2 TRP A 32 -17.973 33.104 -8.840 1.00 70.46 C
243
+ ATOM 243 CE3 TRP A 32 -17.295 33.256 -11.163 1.00 70.46 C
244
+ ATOM 244 CG TRP A 32 -19.651 33.835 -10.214 1.00 70.46 C
245
+ ATOM 245 CH2 TRP A 32 -15.759 32.511 -9.429 1.00 70.46 C
246
+ ATOM 246 CZ2 TRP A 32 -16.709 32.652 -8.452 1.00 70.46 C
247
+ ATOM 247 CZ3 TRP A 32 -16.038 32.807 -10.775 1.00 70.46 C
248
+ ATOM 248 N TRP A 32 -18.992 36.216 -11.851 1.00 70.46 N
249
+ ATOM 249 NE1 TRP A 32 -19.097 33.333 -8.094 1.00 70.46 N
250
+ ATOM 250 O TRP A 32 -20.393 37.105 -9.695 1.00 70.46 O
251
+ ATOM 251 C ASP A 33 -23.409 36.117 -8.723 1.00 69.60 C
252
+ ATOM 252 CA ASP A 33 -23.165 37.226 -9.743 1.00 69.60 C
253
+ ATOM 253 CB ASP A 33 -24.499 37.780 -10.247 1.00 69.60 C
254
+ ATOM 254 CG ASP A 33 -24.928 39.043 -9.523 1.00 69.60 C
255
+ ATOM 255 N ASP A 33 -22.356 36.745 -10.859 1.00 69.60 N
256
+ ATOM 256 O ASP A 33 -23.870 35.030 -9.079 1.00 69.60 O
257
+ ATOM 257 OD1 ASP A 33 -24.496 40.149 -9.914 1.00 69.60 O
258
+ ATOM 258 OD2 ASP A 33 -25.703 38.932 -8.548 1.00 69.60 O
259
+ ATOM 259 C THR A 34 -23.940 35.319 -5.723 1.00 65.43 C
260
+ ATOM 260 CA THR A 34 -22.842 35.103 -6.762 1.00 65.43 C
261
+ ATOM 261 CB THR A 34 -21.486 34.940 -6.051 1.00 65.43 C
262
+ ATOM 262 CG2 THR A 34 -20.795 36.288 -5.871 1.00 65.43 C
263
+ ATOM 263 N THR A 34 -22.812 36.204 -7.718 1.00 65.43 N
264
+ ATOM 264 O THR A 34 -24.146 36.440 -5.254 1.00 65.43 O
265
+ ATOM 265 OG1 THR A 34 -21.696 34.348 -4.764 1.00 65.43 O
266
+ ATOM 266 C ALA A 35 -25.018 33.515 -3.473 1.00 63.85 C
267
+ ATOM 267 CA ALA A 35 -25.716 34.255 -4.612 1.00 63.85 C
268
+ ATOM 268 CB ALA A 35 -27.019 33.549 -4.981 1.00 63.85 C
269
+ ATOM 269 N ALA A 35 -24.845 34.360 -5.779 1.00 63.85 N
270
+ ATOM 270 O ALA A 35 -24.405 32.468 -3.688 1.00 63.85 O
271
+ ATOM 271 C VAL A 36 -25.148 33.222 -0.335 1.00 63.11 C
272
+ ATOM 272 CA VAL A 36 -24.069 33.592 -1.350 1.00 63.11 C
273
+ ATOM 273 CB VAL A 36 -23.043 34.555 -0.712 1.00 63.11 C
274
+ ATOM 274 CG1 VAL A 36 -22.379 33.908 0.502 1.00 63.11 C
275
+ ATOM 275 CG2 VAL A 36 -21.994 34.973 -1.739 1.00 63.11 C
276
+ ATOM 276 N VAL A 36 -24.687 34.176 -2.536 1.00 63.11 N
277
+ ATOM 277 O VAL A 36 -25.996 34.049 0.008 1.00 63.11 O
278
+ ATOM 278 C PHE A 37 -25.653 30.691 1.724 1.00 64.47 C
279
+ ATOM 279 CA PHE A 37 -26.303 31.523 0.625 1.00 64.47 C
280
+ ATOM 280 CB PHE A 37 -27.429 30.725 -0.041 1.00 64.47 C
281
+ ATOM 281 CD1 PHE A 37 -26.603 29.802 -2.230 1.00 64.47 C
282
+ ATOM 282 CD2 PHE A 37 -26.823 28.309 -0.376 1.00 64.47 C
283
+ ATOM 283 CE1 PHE A 37 -26.153 28.753 -3.028 1.00 64.47 C
284
+ ATOM 284 CE2 PHE A 37 -26.373 27.256 -1.167 1.00 64.47 C
285
+ ATOM 285 CG PHE A 37 -26.942 29.589 -0.900 1.00 64.47 C
286
+ ATOM 286 CZ PHE A 37 -26.039 27.479 -2.493 1.00 64.47 C
287
+ ATOM 287 N PHE A 37 -25.315 31.938 -0.363 1.00 64.47 N
288
+ ATOM 288 O PHE A 37 -24.565 30.142 1.534 1.00 64.47 O
289
+ ATOM 289 C HIS A 38 -26.347 28.790 4.176 1.00 62.34 C
290
+ ATOM 290 CA HIS A 38 -25.553 30.088 4.076 1.00 62.34 C
291
+ ATOM 291 CB HIS A 38 -25.720 30.906 5.358 1.00 62.34 C
292
+ ATOM 292 CD2 HIS A 38 -24.046 29.426 6.675 1.00 62.34 C
293
+ ATOM 293 CE1 HIS A 38 -24.824 29.793 8.691 1.00 62.34 C
294
+ ATOM 294 CG HIS A 38 -25.098 30.270 6.560 1.00 62.34 C
295
+ ATOM 295 N HIS A 38 -25.966 30.869 2.915 1.00 62.34 N
296
+ ATOM 296 ND1 HIS A 38 -25.565 30.481 7.839 1.00 62.34 N
297
+ ATOM 297 NE2 HIS A 38 -23.895 29.144 8.011 1.00 62.34 N
298
+ ATOM 298 O HIS A 38 -27.579 28.806 4.147 1.00 62.34 O
299
+ ATOM 299 C THR A 39 -26.372 25.931 5.706 1.00 54.75 C
300
+ ATOM 300 CA THR A 39 -26.269 26.316 4.233 1.00 54.75 C
301
+ ATOM 301 CB THR A 39 -25.589 25.178 3.448 1.00 54.75 C
302
+ ATOM 302 CG2 THR A 39 -24.223 24.842 4.037 1.00 54.75 C
303
+ ATOM 303 N THR A 39 -25.544 27.572 4.077 1.00 54.75 N
304
+ ATOM 304 O THR A 39 -25.547 26.349 6.521 1.00 54.75 O
305
+ ATOM 305 OG1 THR A 39 -26.418 24.010 3.498 1.00 54.75 O
306
+ TER 306 THR A 39
307
+ ATOM 306 C ALA B 1 -10.719 38.993 2.379 1.00 38.01 C
308
+ ATOM 307 CA ALA B 1 -10.204 40.038 3.364 1.00 38.01 C
309
+ ATOM 308 CB ALA B 1 -9.803 39.373 4.679 1.00 38.01 C
310
+ ATOM 309 N ALA B 1 -11.205 41.074 3.603 1.00 38.01 N
311
+ ATOM 310 O ALA B 1 -11.925 38.743 2.304 1.00 38.01 O
312
+ ATOM 311 C PRO B 2 -10.962 36.497 0.983 1.00 46.34 C
313
+ ATOM 312 CA PRO B 2 -10.451 37.755 0.284 1.00 46.34 C
314
+ ATOM 313 CB PRO B 2 -9.216 37.443 -0.566 1.00 46.34 C
315
+ ATOM 314 CD PRO B 2 -8.627 38.919 1.275 1.00 46.34 C
316
+ ATOM 315 CG PRO B 2 -8.074 38.049 0.182 1.00 46.34 C
317
+ ATOM 316 N PRO B 2 -9.965 38.767 1.224 1.00 46.34 N
318
+ ATOM 317 O PRO B 2 -10.369 36.048 1.967 1.00 46.34 O
319
+ ATOM 318 C VAL B 3 -12.060 33.876 1.085 1.00 56.49 C
320
+ ATOM 319 CA VAL B 3 -12.707 35.101 1.727 1.00 56.49 C
321
+ ATOM 320 CB VAL B 3 -14.245 35.021 1.601 1.00 56.49 C
322
+ ATOM 321 CG1 VAL B 3 -14.782 33.790 2.330 1.00 56.49 C
323
+ ATOM 322 CG2 VAL B 3 -14.892 36.292 2.145 1.00 56.49 C
324
+ ATOM 323 N VAL B 3 -12.183 36.317 1.112 1.00 56.49 N
325
+ ATOM 324 O VAL B 3 -12.111 33.709 -0.136 1.00 56.49 O
326
+ ATOM 325 C PRO B 4 -11.640 30.984 0.645 1.00 60.85 C
327
+ ATOM 326 CA PRO B 4 -10.636 31.996 1.191 1.00 60.85 C
328
+ ATOM 327 CB PRO B 4 -9.876 31.418 2.388 1.00 60.85 C
329
+ ATOM 328 CD PRO B 4 -11.205 33.336 3.074 1.00 60.85 C
330
+ ATOM 329 CG PRO B 4 -10.393 32.174 3.570 1.00 60.85 C
331
+ ATOM 330 N PRO B 4 -11.278 33.190 1.744 1.00 60.85 N
332
+ ATOM 331 O PRO B 4 -12.701 30.778 1.241 1.00 60.85 O
333
+ ATOM 332 C VAL B 5 -11.617 28.265 -0.756 1.00 64.69 C
334
+ ATOM 333 CA VAL B 5 -12.251 29.615 -1.085 1.00 64.69 C
335
+ ATOM 334 CB VAL B 5 -12.364 29.793 -2.615 1.00 64.69 C
336
+ ATOM 335 CG1 VAL B 5 -13.689 29.234 -3.127 1.00 64.69 C
337
+ ATOM 336 CG2 VAL B 5 -12.221 31.266 -2.992 1.00 64.69 C
338
+ ATOM 337 N VAL B 5 -11.471 30.688 -0.476 1.00 64.69 N
339
+ ATOM 338 O VAL B 5 -10.411 28.080 -0.928 1.00 64.69 O
340
+ ATOM 339 C THR B 6 -11.967 25.120 -0.736 1.00 68.13 C
341
+ ATOM 340 CA THR B 6 -11.851 26.126 0.405 1.00 68.13 C
342
+ ATOM 341 CB THR B 6 -12.581 25.586 1.648 1.00 68.13 C
343
+ ATOM 342 CG2 THR B 6 -11.952 26.118 2.931 1.00 68.13 C
344
+ ATOM 343 N THR B 6 -12.380 27.426 0.005 1.00 68.13 N
345
+ ATOM 344 O THR B 6 -11.125 24.231 -0.875 1.00 68.13 O
346
+ ATOM 345 OG1 THR B 6 -13.956 25.988 1.600 1.00 68.13 O
347
+ ATOM 346 C LYS B 7 -14.015 25.096 -3.682 1.00 68.92 C
348
+ ATOM 347 CA LYS B 7 -13.265 24.398 -2.550 1.00 68.92 C
349
+ ATOM 348 CB LYS B 7 -14.053 23.177 -2.074 1.00 68.92 C
350
+ ATOM 349 CD LYS B 7 -14.391 20.686 -2.212 1.00 68.92 C
351
+ ATOM 350 CE LYS B 7 -14.167 19.430 -3.041 1.00 68.92 C
352
+ ATOM 351 CG LYS B 7 -13.782 21.914 -2.878 1.00 68.92 C
353
+ ATOM 352 N LYS B 7 -13.018 25.314 -1.440 1.00 68.92 N
354
+ ATOM 353 NZ LYS B 7 -14.549 18.195 -2.292 1.00 68.92 N
355
+ ATOM 354 O LYS B 7 -14.891 25.926 -3.433 1.00 68.92 O
356
+ ATOM 355 C LEU B 8 -14.499 24.297 -7.099 1.00 68.36 C
357
+ ATOM 356 CA LEU B 8 -14.235 25.404 -6.084 1.00 68.36 C
358
+ ATOM 357 CB LEU B 8 -13.385 26.505 -6.722 1.00 68.36 C
359
+ ATOM 358 CD1 LEU B 8 -15.139 28.122 -7.492 1.00 68.36 C
360
+ ATOM 359 CD2 LEU B 8 -12.927 28.018 -8.673 1.00 68.36 C
361
+ ATOM 360 CG LEU B 8 -13.993 27.218 -7.931 1.00 68.36 C
362
+ ATOM 361 N LEU B 8 -13.576 24.874 -4.895 1.00 68.36 N
363
+ ATOM 362 O LEU B 8 -13.579 23.571 -7.484 1.00 68.36 O
364
+ ATOM 363 C VAL B 9 -16.874 23.728 -9.480 1.00 67.18 C
365
+ ATOM 364 CA VAL B 9 -16.129 23.045 -8.334 1.00 67.18 C
366
+ ATOM 365 CB VAL B 9 -17.009 21.936 -7.713 1.00 67.18 C
367
+ ATOM 366 CG1 VAL B 9 -17.391 20.898 -8.766 1.00 67.18 C
368
+ ATOM 367 CG2 VAL B 9 -16.282 21.274 -6.544 1.00 67.18 C
369
+ ATOM 368 N VAL B 9 -15.737 24.039 -7.340 1.00 67.18 N
370
+ ATOM 369 O VAL B 9 -17.831 24.470 -9.252 1.00 67.18 O
371
+ ATOM 370 C CYS B 10 -17.420 23.061 -12.851 1.00 68.97 C
372
+ ATOM 371 CA CYS B 10 -17.010 24.166 -11.886 1.00 68.97 C
373
+ ATOM 372 CB CYS B 10 -16.108 25.172 -12.601 1.00 68.97 C
374
+ ATOM 373 N CYS B 10 -16.333 23.614 -10.717 1.00 68.97 N
375
+ ATOM 374 O CYS B 10 -16.621 22.178 -13.167 1.00 68.97 O
376
+ ATOM 375 SG CYS B 10 -15.688 26.615 -11.598 1.00 68.97 S
377
+ ATOM 376 C ASP B 11 -19.166 22.787 -15.515 1.00 60.80 C
378
+ ATOM 377 CA ASP B 11 -19.240 22.151 -14.129 1.00 60.80 C
379
+ ATOM 378 CB ASP B 11 -20.677 21.725 -13.821 1.00 60.80 C
380
+ ATOM 379 CG ASP B 11 -21.097 20.471 -14.567 1.00 60.80 C
381
+ ATOM 380 N ASP B 11 -18.745 23.066 -13.104 1.00 60.80 N
382
+ ATOM 381 O ASP B 11 -19.754 23.845 -15.750 1.00 60.80 O
383
+ ATOM 382 OD1 ASP B 11 -20.801 19.352 -14.095 1.00 60.80 O
384
+ ATOM 383 OD2 ASP B 11 -21.729 20.603 -15.638 1.00 60.80 O
385
+ ATOM 384 C GLY B 12 -19.319 22.643 -18.477 1.00 60.57 C
386
+ ATOM 385 CA GLY B 12 -18.090 22.860 -17.614 1.00 60.57 C
387
+ ATOM 386 N GLY B 12 -18.248 22.360 -16.258 1.00 60.57 N
388
+ ATOM 387 O GLY B 12 -19.503 23.325 -19.486 1.00 60.57 O
389
+ ATOM 388 C ASP B 13 -22.352 22.448 -18.656 1.00 62.07 C
390
+ ATOM 389 CA ASP B 13 -21.268 21.390 -18.857 1.00 62.07 C
391
+ ATOM 390 CB ASP B 13 -21.806 20.009 -18.477 1.00 62.07 C
392
+ ATOM 391 CG ASP B 13 -22.683 19.396 -19.555 1.00 62.07 C
393
+ ATOM 392 N ASP B 13 -20.074 21.707 -18.081 1.00 62.07 N
394
+ ATOM 393 O ASP B 13 -22.959 22.914 -19.622 1.00 62.07 O
395
+ ATOM 394 OD1 ASP B 13 -22.147 18.776 -20.498 1.00 62.07 O
396
+ ATOM 395 OD2 ASP B 13 -23.922 19.538 -19.460 1.00 62.07 O
397
+ ATOM 396 C THR B 14 -23.013 25.251 -16.803 1.00 63.67 C
398
+ ATOM 397 CA THR B 14 -23.565 23.847 -17.036 1.00 63.67 C
399
+ ATOM 398 CB THR B 14 -24.332 23.381 -15.784 1.00 63.67 C
400
+ ATOM 399 CG2 THR B 14 -25.324 22.274 -16.127 1.00 63.67 C
401
+ ATOM 400 N THR B 14 -22.492 22.919 -17.375 1.00 63.67 N
402
+ ATOM 401 O THR B 14 -23.773 26.190 -16.559 1.00 63.67 O
403
+ ATOM 402 OG1 THR B 14 -23.399 22.889 -14.815 1.00 63.67 O
404
+ ATOM 403 C TYR B 15 -21.434 27.189 -15.300 1.00 64.33 C
405
+ ATOM 404 CA TYR B 15 -21.089 26.641 -16.680 1.00 64.33 C
406
+ ATOM 405 CB TYR B 15 -21.490 27.651 -17.759 1.00 64.33 C
407
+ ATOM 406 CD1 TYR B 15 -19.880 27.448 -19.694 1.00 64.33 C
408
+ ATOM 407 CD2 TYR B 15 -22.081 26.557 -19.954 1.00 64.33 C
409
+ ATOM 408 CE1 TYR B 15 -19.558 27.046 -20.987 1.00 64.33 C
410
+ ATOM 409 CE2 TYR B 15 -21.771 26.150 -21.247 1.00 64.33 C
411
+ ATOM 410 CG TYR B 15 -21.144 27.210 -19.161 1.00 64.33 C
412
+ ATOM 411 CZ TYR B 15 -20.507 26.398 -21.754 1.00 64.33 C
413
+ ATOM 412 N TYR B 15 -21.744 25.358 -16.910 1.00 64.33 N
414
+ ATOM 413 O TYR B 15 -21.639 28.395 -15.139 1.00 64.33 O
415
+ ATOM 414 OH TYR B 15 -20.194 25.998 -23.033 1.00 64.33 O
416
+ ATOM 415 C LYS B 16 -20.785 26.293 -12.111 1.00 68.01 C
417
+ ATOM 416 CA LYS B 16 -21.983 26.629 -12.994 1.00 68.01 C
418
+ ATOM 417 CB LYS B 16 -23.239 25.942 -12.456 1.00 68.01 C
419
+ ATOM 418 CD LYS B 16 -25.686 26.368 -12.048 1.00 68.01 C
420
+ ATOM 419 CE LYS B 16 -27.038 26.496 -12.738 1.00 68.01 C
421
+ ATOM 420 CG LYS B 16 -24.537 26.477 -13.042 1.00 68.01 C
422
+ ATOM 421 N LYS B 16 -21.740 26.241 -14.380 1.00 68.01 N
423
+ ATOM 422 NZ LYS B 16 -28.155 26.051 -11.853 1.00 68.01 N
424
+ ATOM 423 O LYS B 16 -20.177 25.230 -12.257 1.00 68.01 O
425
+ ATOM 424 C CYS B 17 -19.890 27.241 -9.001 1.00 74.36 C
426
+ ATOM 425 CA CYS B 17 -19.401 27.066 -10.433 1.00 74.36 C
427
+ ATOM 426 CB CYS B 17 -18.241 28.022 -10.706 1.00 74.36 C
428
+ ATOM 427 N CYS B 17 -20.483 27.288 -11.385 1.00 74.36 N
429
+ ATOM 428 O CYS B 17 -20.725 28.105 -8.727 1.00 74.36 O
430
+ ATOM 429 SG CYS B 17 -17.085 27.426 -11.959 1.00 74.36 S
431
+ ATOM 430 C THR B 18 -18.462 26.527 -5.912 1.00 72.97 C
432
+ ATOM 431 CA THR B 18 -19.738 26.317 -6.724 1.00 72.97 C
433
+ ATOM 432 CB THR B 18 -20.446 25.035 -6.249 1.00 72.97 C
434
+ ATOM 433 CG2 THR B 18 -20.906 25.163 -4.801 1.00 72.97 C
435
+ ATOM 434 N THR B 18 -19.439 26.261 -8.150 1.00 72.97 N
436
+ ATOM 435 O THR B 18 -17.501 25.768 -6.049 1.00 72.97 O
437
+ ATOM 436 OG1 THR B 18 -21.587 24.790 -7.081 1.00 72.97 O
438
+ ATOM 437 C ALA B 19 -17.787 27.700 -2.871 1.00 72.94 C
439
+ ATOM 438 CA ALA B 19 -17.379 27.800 -4.338 1.00 72.94 C
440
+ ATOM 439 CB ALA B 19 -16.792 29.178 -4.632 1.00 72.94 C
441
+ ATOM 440 N ALA B 19 -18.513 27.530 -5.218 1.00 72.94 N
442
+ ATOM 441 O ALA B 19 -18.808 28.262 -2.464 1.00 72.94 O
443
+ ATOM 442 C TYR B 20 -16.205 27.899 -0.070 1.00 74.32 C
444
+ ATOM 443 CA TYR B 20 -17.108 26.902 -0.786 1.00 74.32 C
445
+ ATOM 444 CB TYR B 20 -16.814 25.482 -0.292 1.00 74.32 C
446
+ ATOM 445 CD1 TYR B 20 -18.847 24.004 -0.046 1.00 74.32 C
447
+ ATOM 446 CD2 TYR B 20 -17.612 23.901 -2.089 1.00 74.32 C
448
+ ATOM 447 CE1 TYR B 20 -19.735 23.046 -0.526 1.00 74.32 C
449
+ ATOM 448 CE2 TYR B 20 -18.494 22.943 -2.579 1.00 74.32 C
450
+ ATOM 449 CG TYR B 20 -17.775 24.444 -0.819 1.00 74.32 C
451
+ ATOM 450 CZ TYR B 20 -19.550 22.523 -1.792 1.00 74.32 C
452
+ ATOM 451 N TYR B 20 -16.937 26.986 -2.232 1.00 74.32 N
453
+ ATOM 452 O TYR B 20 -14.981 27.857 -0.222 1.00 74.32 O
454
+ ATOM 453 OH TYR B 20 -20.425 21.575 -2.272 1.00 74.32 O
455
+ ATOM 454 C LEU B 21 -15.935 29.458 2.724 1.00 68.13 C
456
+ ATOM 455 CA LEU B 21 -16.210 29.791 1.262 1.00 68.13 C
457
+ ATOM 456 CB LEU B 21 -17.004 31.097 1.166 1.00 68.13 C
458
+ ATOM 457 CD1 LEU B 21 -18.606 32.529 -0.128 1.00 68.13 C
459
+ ATOM 458 CD2 LEU B 21 -16.335 32.025 -1.068 1.00 68.13 C
460
+ ATOM 459 CG LEU B 21 -17.491 31.493 -0.229 1.00 68.13 C
461
+ ATOM 460 N LEU B 21 -16.932 28.706 0.607 1.00 68.13 N
462
+ ATOM 461 O LEU B 21 -16.747 28.800 3.379 1.00 68.13 O
463
+ ATOM 462 C ASP B 22 -14.587 30.794 5.086 1.00 65.25 C
464
+ ATOM 463 CA ASP B 22 -14.340 29.476 4.355 1.00 65.25 C
465
+ ATOM 464 CB ASP B 22 -12.879 29.052 4.516 1.00 65.25 C
466
+ ATOM 465 CG ASP B 22 -12.545 28.598 5.926 1.00 65.25 C
467
+ ATOM 466 N ASP B 22 -14.689 29.586 2.942 1.00 65.25 N
468
+ ATOM 467 O ASP B 22 -13.652 31.407 5.604 1.00 65.25 O
469
+ ATOM 468 OD1 ASP B 22 -13.123 27.596 6.397 1.00 65.25 O
470
+ ATOM 469 OD2 ASP B 22 -11.697 29.251 6.573 1.00 65.25 O
471
+ ATOM 470 C TYR B 23 -16.844 32.193 6.696 1.00 64.29 C
472
+ ATOM 471 CA TYR B 23 -16.085 32.466 5.404 1.00 64.29 C
473
+ ATOM 472 CB TYR B 23 -16.924 33.361 4.485 1.00 64.29 C
474
+ ATOM 473 CD1 TYR B 23 -17.891 35.448 5.529 1.00 64.29 C
475
+ ATOM 474 CD2 TYR B 23 -15.750 35.594 4.480 1.00 64.29 C
476
+ ATOM 475 CE1 TYR B 23 -17.832 36.799 5.854 1.00 64.29 C
477
+ ATOM 476 CE2 TYR B 23 -15.679 36.946 4.800 1.00 64.29 C
478
+ ATOM 477 CG TYR B 23 -16.853 34.827 4.838 1.00 64.29 C
479
+ ATOM 478 CZ TYR B 23 -16.724 37.539 5.486 1.00 64.29 C
480
+ ATOM 479 N TYR B 23 -15.740 31.220 4.729 1.00 64.29 N
481
+ ATOM 480 O TYR B 23 -17.901 31.559 6.681 1.00 64.29 O
482
+ ATOM 481 OH TYR B 23 -16.659 38.877 5.805 1.00 64.29 O
483
+ ATOM 482 C GLY B 24 -16.766 30.920 9.540 1.00 62.06 C
484
+ ATOM 483 CA GLY B 24 -16.787 32.366 9.079 1.00 62.06 C
485
+ ATOM 484 N GLY B 24 -16.145 32.564 7.788 1.00 62.06 N
486
+ ATOM 485 O GLY B 24 -15.710 30.392 9.896 1.00 62.06 O
487
+ ATOM 486 C ASP B 25 -17.785 27.876 8.708 1.00 66.68 C
488
+ ATOM 487 CA ASP B 25 -18.181 28.881 9.788 1.00 66.68 C
489
+ ATOM 488 CB ASP B 25 -19.631 28.646 10.215 1.00 66.68 C
490
+ ATOM 489 CG ASP B 25 -20.461 27.958 9.147 1.00 66.68 C
491
+ ATOM 490 N ASP B 25 -17.999 30.251 9.321 1.00 66.68 N
492
+ ATOM 491 O ASP B 25 -17.626 26.686 8.987 1.00 66.68 O
493
+ ATOM 492 OD1 ASP B 25 -20.541 26.710 9.146 1.00 66.68 O
494
+ ATOM 493 OD2 ASP B 25 -21.040 28.669 8.297 1.00 66.68 O
495
+ ATOM 494 C GLY B 26 -18.132 26.923 5.793 1.00 66.51 C
496
+ ATOM 495 CA GLY B 26 -16.938 27.563 6.473 1.00 66.51 C
497
+ ATOM 496 N GLY B 26 -17.309 28.468 7.550 1.00 66.51 N
498
+ ATOM 497 O GLY B 26 -18.003 25.874 5.158 1.00 66.51 O
499
+ ATOM 498 C LYS B 27 -21.168 27.674 4.451 1.00 74.08 C
500
+ ATOM 499 CA LYS B 27 -20.556 26.767 5.515 1.00 74.08 C
501
+ ATOM 500 CB LYS B 27 -21.578 26.489 6.619 1.00 74.08 C
502
+ ATOM 501 CD LYS B 27 -22.114 24.422 7.950 1.00 74.08 C
503
+ ATOM 502 CE LYS B 27 -21.949 23.829 9.344 1.00 74.08 C
504
+ ATOM 503 CG LYS B 27 -21.090 25.518 7.683 1.00 74.08 C
505
+ ATOM 504 N LYS B 27 -19.344 27.357 6.075 1.00 74.08 N
506
+ ATOM 505 NZ LYS B 27 -22.841 22.650 9.553 1.00 74.08 N
507
+ ATOM 506 O LYS B 27 -22.373 27.620 4.201 1.00 74.08 O
508
+ ATOM 507 C TRP B 28 -20.473 28.836 1.527 1.00 73.07 C
509
+ ATOM 508 CA TRP B 28 -20.834 29.369 2.909 1.00 73.07 C
510
+ ATOM 509 CB TRP B 28 -20.274 30.783 3.088 1.00 73.07 C
511
+ ATOM 510 CD1 TRP B 28 -20.089 31.454 5.558 1.00 73.07 C
512
+ ATOM 511 CD2 TRP B 28 -21.909 32.243 4.519 1.00 73.07 C
513
+ ATOM 512 CE2 TRP B 28 -21.930 32.681 5.862 1.00 73.07 C
514
+ ATOM 513 CE3 TRP B 28 -22.957 32.617 3.667 1.00 73.07 C
515
+ ATOM 514 CG TRP B 28 -20.723 31.461 4.347 1.00 73.07 C
516
+ ATOM 515 CH2 TRP B 28 -23.972 33.827 5.518 1.00 73.07 C
517
+ ATOM 516 CZ2 TRP B 28 -22.960 33.475 6.372 1.00 73.07 C
518
+ ATOM 517 CZ3 TRP B 28 -23.981 33.407 4.177 1.00 73.07 C
519
+ ATOM 518 N TRP B 28 -20.336 28.483 3.955 1.00 73.07 N
520
+ ATOM 519 NE1 TRP B 28 -20.809 32.187 6.473 1.00 73.07 N
521
+ ATOM 520 O TRP B 28 -19.349 28.380 1.305 1.00 73.07 O
522
+ ATOM 521 C VAL B 29 -21.742 29.317 -1.636 1.00 73.13 C
523
+ ATOM 522 CA VAL B 29 -21.330 28.236 -0.639 1.00 73.13 C
524
+ ATOM 523 CB VAL B 29 -22.149 26.947 -0.882 1.00 73.13 C
525
+ ATOM 524 CG1 VAL B 29 -21.575 25.784 -0.075 1.00 73.13 C
526
+ ATOM 525 CG2 VAL B 29 -23.617 27.175 -0.528 1.00 73.13 C
527
+ ATOM 526 N VAL B 29 -21.499 28.730 0.723 1.00 73.13 N
528
+ ATOM 527 O VAL B 29 -22.701 30.054 -1.401 1.00 73.13 O
529
+ ATOM 528 C ALA B 30 -21.557 29.707 -4.937 1.00 72.39 C
530
+ ATOM 529 CA ALA B 30 -21.425 30.450 -3.611 1.00 72.39 C
531
+ ATOM 530 CB ALA B 30 -20.355 31.534 -3.716 1.00 72.39 C
532
+ ATOM 531 N ALA B 30 -21.111 29.529 -2.523 1.00 72.39 N
533
+ ATOM 532 O ALA B 30 -20.697 28.897 -5.291 1.00 72.39 O
534
+ ATOM 533 C GLN B 31 -23.198 30.321 -8.020 1.00 70.03 C
535
+ ATOM 534 CA GLN B 31 -22.932 29.245 -6.971 1.00 70.03 C
536
+ ATOM 535 CB GLN B 31 -24.099 28.257 -6.924 1.00 70.03 C
537
+ ATOM 536 CD GLN B 31 -25.147 26.165 -7.891 1.00 70.03 C
538
+ ATOM 537 CG GLN B 31 -24.092 27.241 -8.059 1.00 70.03 C
539
+ ATOM 538 N GLN B 31 -22.707 29.835 -5.656 1.00 70.03 N
540
+ ATOM 539 NE2 GLN B 31 -24.707 24.927 -7.696 1.00 70.03 N
541
+ ATOM 540 O GLN B 31 -23.879 31.310 -7.742 1.00 70.03 O
542
+ ATOM 541 OE1 GLN B 31 -26.349 26.445 -7.934 1.00 70.03 O
543
+ ATOM 542 C TRP B 32 -22.622 30.676 -11.501 1.00 70.28 C
544
+ ATOM 543 CA TRP B 32 -22.818 31.257 -10.104 1.00 70.28 C
545
+ ATOM 544 CB TRP B 32 -21.870 32.440 -9.892 1.00 70.28 C
546
+ ATOM 545 CD1 TRP B 32 -19.574 31.975 -10.942 1.00 70.28 C
547
+ ATOM 546 CD2 TRP B 32 -19.644 31.714 -8.719 1.00 70.28 C
548
+ ATOM 547 CE2 TRP B 32 -18.336 31.428 -9.167 1.00 70.28 C
549
+ ATOM 548 CE3 TRP B 32 -19.930 31.617 -7.350 1.00 70.28 C
550
+ ATOM 549 CG TRP B 32 -20.419 32.062 -9.871 1.00 70.28 C
551
+ ATOM 550 CH2 TRP B 32 -17.620 30.964 -6.959 1.00 70.28 C
552
+ ATOM 551 CZ2 TRP B 32 -17.313 31.051 -8.292 1.00 70.28 C
553
+ ATOM 552 CZ3 TRP B 32 -18.911 31.241 -6.483 1.00 70.28 C
554
+ ATOM 553 N TRP B 32 -22.604 30.239 -9.081 1.00 70.28 N
555
+ ATOM 554 NE1 TRP B 32 -18.320 31.595 -10.525 1.00 70.28 N
556
+ ATOM 555 O TRP B 32 -21.974 29.640 -11.662 1.00 70.28 O
557
+ ATOM 556 C ASP B 33 -21.985 31.719 -14.250 1.00 69.99 C
558
+ ATOM 557 CA ASP B 33 -23.230 30.969 -13.782 1.00 69.99 C
559
+ ATOM 558 CB ASP B 33 -24.431 31.348 -14.651 1.00 69.99 C
560
+ ATOM 559 CG ASP B 33 -24.734 30.319 -15.726 1.00 69.99 C
561
+ ATOM 560 N ASP B 33 -23.510 31.241 -12.375 1.00 69.99 N
562
+ ATOM 561 O ASP B 33 -21.881 32.934 -14.066 1.00 69.99 O
563
+ ATOM 562 OD1 ASP B 33 -25.425 29.318 -15.434 1.00 69.99 O
564
+ ATOM 563 OD2 ASP B 33 -24.276 30.508 -16.873 1.00 69.99 O
565
+ ATOM 564 C THR B 34 -19.493 31.809 -16.185 1.00 67.24 C
566
+ ATOM 565 CA THR B 34 -19.750 31.688 -14.685 1.00 67.24 C
567
+ ATOM 566 CB THR B 34 -18.593 30.917 -14.024 1.00 67.24 C
568
+ ATOM 567 CG2 THR B 34 -18.894 29.422 -13.960 1.00 67.24 C
569
+ ATOM 568 N THR B 34 -21.032 31.039 -14.431 1.00 67.24 N
570
+ ATOM 569 O THR B 34 -19.755 30.871 -16.942 1.00 67.24 O
571
+ ATOM 570 OG1 THR B 34 -17.396 31.120 -14.784 1.00 67.24 O
572
+ ATOM 571 C ALA B 35 -17.262 33.278 -17.781 1.00 65.67 C
573
+ ATOM 572 CA ALA B 35 -18.785 33.315 -17.858 1.00 65.67 C
574
+ ATOM 573 CB ALA B 35 -19.254 34.653 -18.425 1.00 65.67 C
575
+ ATOM 574 N ALA B 35 -19.383 33.082 -16.545 1.00 65.67 N
576
+ ATOM 575 O ALA B 35 -16.662 33.899 -16.900 1.00 65.67 O
577
+ ATOM 576 C VAL B 36 -14.757 32.786 -19.662 1.00 64.78 C
578
+ ATOM 577 CA VAL B 36 -15.285 32.201 -18.355 1.00 64.78 C
579
+ ATOM 578 CB VAL B 36 -14.852 30.725 -18.218 1.00 64.78 C
580
+ ATOM 579 CG1 VAL B 36 -13.329 30.605 -18.226 1.00 64.78 C
581
+ ATOM 580 CG2 VAL B 36 -15.432 30.115 -16.942 1.00 64.78 C
582
+ ATOM 581 N VAL B 36 -16.737 32.341 -18.302 1.00 64.78 N
583
+ ATOM 582 O VAL B 36 -15.254 32.457 -20.742 1.00 64.78 O
584
+ ATOM 583 C PHE B 37 -12.046 34.568 -20.506 1.00 67.21 C
585
+ ATOM 584 CA PHE B 37 -13.565 34.494 -20.610 1.00 67.21 C
586
+ ATOM 585 CB PHE B 37 -14.142 35.892 -20.855 1.00 67.21 C
587
+ ATOM 586 CD1 PHE B 37 -15.053 36.801 -18.692 1.00 67.21 C
588
+ ATOM 587 CD2 PHE B 37 -12.973 37.659 -19.503 1.00 67.21 C
589
+ ATOM 588 CE1 PHE B 37 -14.973 37.642 -17.586 1.00 67.21 C
590
+ ATOM 589 CE2 PHE B 37 -12.888 38.503 -18.399 1.00 67.21 C
591
+ ATOM 590 CG PHE B 37 -14.054 36.802 -19.660 1.00 67.21 C
592
+ ATOM 591 CZ PHE B 37 -13.889 38.494 -17.442 1.00 67.21 C
593
+ ATOM 592 N PHE B 37 -14.138 33.904 -19.406 1.00 67.21 N
594
+ ATOM 593 O PHE B 37 -11.490 34.505 -19.408 1.00 67.21 O
595
+ ATOM 594 C HIS B 38 -9.506 35.935 -21.943 1.00 64.12 C
596
+ ATOM 595 CA HIS B 38 -9.901 34.490 -21.655 1.00 64.12 C
597
+ ATOM 596 CB HIS B 38 -9.373 33.572 -22.760 1.00 64.12 C
598
+ ATOM 597 CD2 HIS B 38 -6.963 33.561 -21.797 1.00 64.12 C
599
+ ATOM 598 CE1 HIS B 38 -5.882 33.188 -23.668 1.00 64.12 C
600
+ ATOM 599 CG HIS B 38 -7.881 33.465 -22.788 1.00 64.12 C
601
+ ATOM 600 N HIS B 38 -11.347 34.355 -21.526 1.00 64.12 N
602
+ ATOM 601 ND1 HIS B 38 -7.174 33.231 -23.948 1.00 64.12 N
603
+ ATOM 602 NE2 HIS B 38 -5.728 33.386 -22.370 1.00 64.12 N
604
+ ATOM 603 O HIS B 38 -10.032 36.552 -22.872 1.00 64.12 O
605
+ ATOM 604 C THR B 39 -6.910 37.940 -21.986 1.00 57.95 C
606
+ ATOM 605 CA THR B 39 -8.210 37.914 -21.187 1.00 57.95 C
607
+ ATOM 606 CB THR B 39 -8.024 38.694 -19.872 1.00 57.95 C
608
+ ATOM 607 CG2 THR B 39 -6.867 38.127 -19.056 1.00 57.95 C
609
+ ATOM 608 N THR B 39 -8.634 36.541 -20.934 1.00 57.95 N
610
+ ATOM 609 O THR B 39 -6.143 36.975 -21.964 1.00 57.95 O
611
+ ATOM 610 OG1 THR B 39 -7.753 40.068 -20.173 1.00 57.95 O
612
+ TER 611 THR B 39
613
+ END
6a87/6a87_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,613 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C ALA A 1 -6.726 45.598 -2.045 1.00 49.86 C
2
+ ATOM 2 CA ALA A 1 -6.082 46.488 -0.986 1.00 48.91 C
3
+ ATOM 3 CB ALA A 1 -7.100 46.842 0.097 1.00 44.77 C
4
+ ATOM 4 N ALA A 1 -5.534 47.702 -1.584 1.00 48.08 N
5
+ ATOM 5 O ALA A 1 -7.421 46.087 -2.939 1.00 48.75 O
6
+ ATOM 6 C PRO A 2 -8.182 43.501 -3.202 1.00 51.44 C
7
+ ATOM 7 CA PRO A 2 -6.662 43.611 -3.299 1.00 51.25 C
8
+ ATOM 8 CB PRO A 2 -6.001 42.245 -3.102 1.00 49.42 C
9
+ ATOM 9 CD PRO A 2 -5.340 43.754 -1.313 1.00 50.49 C
10
+ ATOM 10 CG PRO A 2 -5.371 42.317 -1.750 1.00 48.63 C
11
+ ATOM 11 N PRO A 2 -6.084 44.424 -2.226 1.00 51.39 N
12
+ ATOM 12 O PRO A 2 -8.735 43.499 -2.099 1.00 50.46 O
13
+ ATOM 13 C VAL A 3 -10.815 42.201 -4.868 1.00 55.74 C
14
+ ATOM 14 CA VAL A 3 -10.416 43.612 -4.442 1.00 55.58 C
15
+ ATOM 15 CB VAL A 3 -11.025 44.653 -5.410 1.00 54.02 C
16
+ ATOM 16 CG1 VAL A 3 -12.550 44.604 -5.364 1.00 49.35 C
17
+ ATOM 17 CG2 VAL A 3 -10.521 46.054 -5.071 1.00 50.92 C
18
+ ATOM 18 N VAL A 3 -8.961 43.719 -4.388 1.00 55.88 N
19
+ ATOM 19 O VAL A 3 -10.346 41.697 -5.890 1.00 54.63 O
20
+ ATOM 20 C PRO A 4 -12.924 40.229 -5.601 1.00 54.72 C
21
+ ATOM 21 CA PRO A 4 -11.953 40.120 -4.428 1.00 53.24 C
22
+ ATOM 22 CB PRO A 4 -12.651 39.547 -3.193 1.00 52.76 C
23
+ ATOM 23 CD PRO A 4 -12.086 41.878 -2.791 1.00 51.46 C
24
+ ATOM 24 CG PRO A 4 -12.946 40.734 -2.334 1.00 51.42 C
25
+ ATOM 25 N PRO A 4 -11.471 41.425 -3.969 1.00 54.37 N
26
+ ATOM 26 O PRO A 4 -13.770 41.127 -5.626 1.00 53.95 O
27
+ ATOM 27 C VAL A 5 -13.971 37.873 -8.037 1.00 53.46 C
28
+ ATOM 28 CA VAL A 5 -13.639 39.341 -7.784 1.00 52.89 C
29
+ ATOM 29 CB VAL A 5 -13.046 39.981 -9.059 1.00 52.15 C
30
+ ATOM 30 CG1 VAL A 5 -14.121 40.142 -10.133 1.00 48.60 C
31
+ ATOM 31 CG2 VAL A 5 -12.409 41.331 -8.731 1.00 50.27 C
32
+ ATOM 32 N VAL A 5 -12.723 39.452 -6.652 1.00 53.72 N
33
+ ATOM 33 O VAL A 5 -13.134 36.994 -7.820 1.00 52.26 O
34
+ ATOM 34 C THR A 6 -15.977 36.068 -10.074 1.00 56.44 C
35
+ ATOM 35 CA THR A 6 -15.619 36.128 -8.592 1.00 55.07 C
36
+ ATOM 36 CB THR A 6 -16.823 35.666 -7.751 1.00 53.94 C
37
+ ATOM 37 CG2 THR A 6 -16.367 34.933 -6.494 1.00 51.31 C
38
+ ATOM 38 N THR A 6 -15.197 37.473 -8.217 1.00 56.17 N
39
+ ATOM 39 O THR A 6 -16.542 37.018 -10.621 1.00 55.28 O
40
+ ATOM 40 OG1 THR A 6 -17.599 36.809 -7.370 1.00 51.75 O
41
+ ATOM 41 C LYS A 7 -16.360 33.506 -12.209 1.00 54.05 C
42
+ ATOM 42 CA LYS A 7 -15.735 34.893 -12.097 1.00 52.83 C
43
+ ATOM 43 CB LYS A 7 -14.522 34.998 -13.022 1.00 52.17 C
44
+ ATOM 44 CD LYS A 7 -13.627 35.438 -15.334 1.00 51.72 C
45
+ ATOM 45 CE LYS A 7 -13.977 35.639 -16.802 1.00 47.13 C
46
+ ATOM 46 CG LYS A 7 -14.875 35.263 -14.479 1.00 50.74 C
47
+ ATOM 47 N LYS A 7 -15.355 35.188 -10.718 1.00 53.92 N
48
+ ATOM 48 NZ LYS A 7 -12.763 35.905 -17.630 1.00 43.04 N
49
+ ATOM 49 O LYS A 7 -15.882 32.551 -11.593 1.00 52.85 O
50
+ ATOM 50 C LEU A 8 -17.729 31.865 -14.564 1.00 53.37 C
51
+ ATOM 51 CA LEU A 8 -18.122 32.253 -13.142 1.00 51.83 C
52
+ ATOM 52 CB LEU A 8 -19.641 32.410 -13.045 1.00 50.75 C
53
+ ATOM 53 CD1 LEU A 8 -20.367 30.152 -12.232 1.00 46.22 C
54
+ ATOM 54 CD2 LEU A 8 -21.929 31.547 -13.613 1.00 47.21 C
55
+ ATOM 55 CG LEU A 8 -20.474 31.167 -13.365 1.00 49.19 C
56
+ ATOM 56 N LEU A 8 -17.454 33.484 -12.737 1.00 53.12 N
57
+ ATOM 57 O LEU A 8 -17.803 32.687 -15.479 1.00 52.27 O
58
+ ATOM 58 C VAL A 9 -17.591 28.908 -16.252 1.00 53.59 C
59
+ ATOM 59 CA VAL A 9 -16.774 30.170 -15.987 1.00 52.27 C
60
+ ATOM 60 CB VAL A 9 -15.264 29.861 -16.101 1.00 51.92 C
61
+ ATOM 61 CG1 VAL A 9 -14.914 29.395 -17.514 1.00 48.27 C
62
+ ATOM 62 CG2 VAL A 9 -14.438 31.088 -15.720 1.00 50.23 C
63
+ ATOM 63 N VAL A 9 -17.112 30.709 -14.673 1.00 53.38 N
64
+ ATOM 64 O VAL A 9 -17.734 28.056 -15.372 1.00 52.61 O
65
+ ATOM 65 C CYS A 10 -18.019 26.981 -18.840 1.00 48.65 C
66
+ ATOM 66 CA CYS A 10 -18.964 27.791 -17.961 1.00 49.76 C
67
+ ATOM 67 CB CYS A 10 -20.177 28.237 -18.776 1.00 47.34 C
68
+ ATOM 68 N CYS A 10 -18.281 28.946 -17.386 1.00 48.25 N
69
+ ATOM 69 O CYS A 10 -17.335 27.537 -19.701 1.00 48.55 O
70
+ ATOM 70 SG CYS A 10 -21.485 28.989 -17.783 1.00 54.15 S
71
+ ATOM 71 C ASP A 11 -18.002 23.627 -19.688 1.00 54.90 C
72
+ ATOM 72 CA ASP A 11 -17.043 24.764 -19.345 1.00 53.84 C
73
+ ATOM 73 CB ASP A 11 -15.785 24.207 -18.675 1.00 52.82 C
74
+ ATOM 74 CG ASP A 11 -14.943 23.356 -19.610 1.00 51.31 C
75
+ ATOM 75 N ASP A 11 -17.686 25.753 -18.485 1.00 54.40 N
76
+ ATOM 76 O ASP A 11 -18.139 22.670 -18.922 1.00 54.31 O
77
+ ATOM 77 OD1 ASP A 11 -15.253 23.289 -20.819 1.00 53.78 O
78
+ ATOM 78 OD2 ASP A 11 -13.964 22.744 -19.132 1.00 55.68 O
79
+ ATOM 79 C GLY A 12 -20.976 22.863 -20.287 1.00 51.61 C
80
+ ATOM 80 CA GLY A 12 -19.773 22.840 -21.211 1.00 51.29 C
81
+ ATOM 81 N GLY A 12 -18.728 23.771 -20.815 1.00 52.76 N
82
+ ATOM 82 O GLY A 12 -21.621 23.902 -20.126 1.00 49.00 O
83
+ ATOM 83 C ASP A 13 -21.773 21.753 -17.286 1.00 52.90 C
84
+ ATOM 84 CA ASP A 13 -22.325 21.442 -18.676 1.00 52.28 C
85
+ ATOM 85 CB ASP A 13 -22.885 20.020 -18.713 1.00 50.59 C
86
+ ATOM 86 CG ASP A 13 -23.469 19.647 -20.064 1.00 49.16 C
87
+ ATOM 87 N ASP A 13 -21.299 21.616 -19.700 1.00 53.29 N
88
+ ATOM 88 O ASP A 13 -22.432 21.493 -16.278 1.00 51.24 O
89
+ ATOM 89 OD1 ASP A 13 -23.866 20.553 -20.829 1.00 49.69 O
90
+ ATOM 90 OD2 ASP A 13 -23.535 18.435 -20.367 1.00 50.81 O
91
+ ATOM 91 C THR A 14 -19.618 23.789 -15.735 1.00 57.55 C
92
+ ATOM 92 CA THR A 14 -19.811 22.295 -15.980 1.00 56.36 C
93
+ ATOM 93 CB THR A 14 -18.445 21.584 -15.937 1.00 55.16 C
94
+ ATOM 94 CG2 THR A 14 -17.846 21.629 -14.537 1.00 52.47 C
95
+ ATOM 95 N THR A 14 -20.488 22.063 -17.252 1.00 57.56 N
96
+ ATOM 96 O THR A 14 -19.209 24.524 -16.636 1.00 56.00 O
97
+ ATOM 97 OG1 THR A 14 -18.614 20.215 -16.330 1.00 53.02 O
98
+ ATOM 98 C TYR A 15 -19.006 25.766 -13.031 1.00 57.75 C
99
+ ATOM 99 CA TYR A 15 -20.021 25.652 -14.163 1.00 57.11 C
100
+ ATOM 100 CB TYR A 15 -21.358 26.263 -13.728 1.00 55.62 C
101
+ ATOM 101 CD1 TYR A 15 -22.498 27.445 -15.647 1.00 52.79 C
102
+ ATOM 102 CD2 TYR A 15 -23.246 25.252 -15.061 1.00 53.09 C
103
+ ATOM 103 CE1 TYR A 15 -23.446 27.503 -16.665 1.00 52.09 C
104
+ ATOM 104 CE2 TYR A 15 -24.197 25.299 -16.076 1.00 50.81 C
105
+ ATOM 105 CG TYR A 15 -22.385 26.320 -14.832 1.00 54.06 C
106
+ ATOM 106 CZ TYR A 15 -24.289 26.427 -16.870 1.00 55.33 C
107
+ ATOM 107 N TYR A 15 -20.200 24.262 -14.565 1.00 58.07 N
108
+ ATOM 108 O TYR A 15 -19.034 24.978 -12.082 1.00 55.81 O
109
+ ATOM 109 OH TYR A 15 -25.228 26.479 -17.876 1.00 53.37 O
110
+ ATOM 110 C LYS A 16 -16.987 28.263 -11.822 1.00 58.50 C
111
+ ATOM 111 CA LYS A 16 -16.967 26.822 -12.323 1.00 57.71 C
112
+ ATOM 112 CB LYS A 16 -15.594 26.489 -12.907 1.00 56.90 C
113
+ ATOM 113 CD LYS A 16 -13.797 24.764 -13.277 1.00 55.05 C
114
+ ATOM 114 CE LYS A 16 -13.442 23.285 -13.225 1.00 51.43 C
115
+ ATOM 115 CG LYS A 16 -15.238 25.011 -12.851 1.00 55.62 C
116
+ ATOM 116 N LYS A 16 -18.015 26.595 -13.314 1.00 58.57 N
117
+ ATOM 117 NZ LYS A 16 -12.035 23.037 -13.662 1.00 46.38 N
118
+ ATOM 118 O LYS A 16 -17.086 29.200 -12.618 1.00 57.15 O
119
+ ATOM 119 C CYS A 17 -15.572 29.831 -9.278 1.00 57.46 C
120
+ ATOM 120 CA CYS A 17 -16.987 29.639 -9.809 1.00 57.67 C
121
+ ATOM 121 CB CYS A 17 -17.994 29.780 -8.668 1.00 56.13 C
122
+ ATOM 122 N CYS A 17 -17.129 28.341 -10.459 1.00 57.66 N
123
+ ATOM 123 O CYS A 17 -15.112 29.063 -8.432 1.00 56.01 O
124
+ ATOM 124 SG CYS A 17 -18.366 31.494 -8.234 1.00 56.74 S
125
+ ATOM 125 C THR A 18 -13.441 32.475 -8.789 1.00 56.96 C
126
+ ATOM 126 CA THR A 18 -13.518 31.080 -9.402 1.00 56.06 C
127
+ ATOM 127 CB THR A 18 -12.518 30.973 -10.569 1.00 55.43 C
128
+ ATOM 128 CG2 THR A 18 -11.084 31.162 -10.083 1.00 53.87 C
129
+ ATOM 129 N THR A 18 -14.877 30.783 -9.841 1.00 56.91 N
130
+ ATOM 130 O THR A 18 -13.993 33.431 -9.337 1.00 55.60 O
131
+ ATOM 131 OG1 THR A 18 -12.639 29.682 -11.177 1.00 54.86 O
132
+ ATOM 132 C ALA A 19 -11.327 34.348 -7.365 1.00 56.71 C
133
+ ATOM 133 CA ALA A 19 -12.721 33.838 -7.009 1.00 55.56 C
134
+ ATOM 134 CB ALA A 19 -12.865 33.706 -5.495 1.00 54.83 C
135
+ ATOM 135 N ALA A 19 -12.994 32.559 -7.660 1.00 56.50 N
136
+ ATOM 136 O ALA A 19 -10.363 33.581 -7.375 1.00 55.53 O
137
+ ATOM 137 C TYR A 20 -9.861 37.488 -7.227 1.00 55.51 C
138
+ ATOM 138 CA TYR A 20 -10.070 36.321 -8.185 1.00 54.28 C
139
+ ATOM 139 CB TYR A 20 -10.104 36.831 -9.629 1.00 53.05 C
140
+ ATOM 140 CD1 TYR A 20 -9.071 35.181 -11.239 1.00 48.17 C
141
+ ATOM 141 CD2 TYR A 20 -11.452 35.245 -11.054 1.00 48.79 C
142
+ ATOM 142 CE1 TYR A 20 -9.164 34.170 -12.189 1.00 49.44 C
143
+ ATOM 143 CE2 TYR A 20 -11.557 34.234 -12.004 1.00 49.29 C
144
+ ATOM 144 CG TYR A 20 -10.211 35.733 -10.658 1.00 50.61 C
145
+ ATOM 145 CZ TYR A 20 -10.410 33.704 -12.565 1.00 50.06 C
146
+ ATOM 146 N TYR A 20 -11.296 35.598 -7.868 1.00 55.40 N
147
+ ATOM 147 O TYR A 20 -10.824 38.032 -6.683 1.00 53.93 O
148
+ ATOM 148 OH TYR A 20 -10.509 32.703 -13.505 1.00 48.69 O
149
+ ATOM 149 C LEU A 21 -7.654 39.929 -7.341 1.00 56.06 C
150
+ ATOM 150 CA LEU A 21 -8.237 39.004 -6.278 1.00 55.30 C
151
+ ATOM 151 CB LEU A 21 -7.231 38.817 -5.140 1.00 54.29 C
152
+ ATOM 152 CD1 LEU A 21 -6.613 37.800 -2.933 1.00 51.63 C
153
+ ATOM 153 CD2 LEU A 21 -8.750 39.094 -3.161 1.00 51.94 C
154
+ ATOM 154 CG LEU A 21 -7.764 38.167 -3.862 1.00 53.41 C
155
+ ATOM 155 N LEU A 21 -8.602 37.714 -6.854 1.00 55.80 N
156
+ ATOM 156 O LEU A 21 -6.751 39.537 -8.083 1.00 55.23 O
157
+ ATOM 157 C ASP A 22 -6.937 43.050 -7.488 1.00 54.91 C
158
+ ATOM 158 CA ASP A 22 -7.852 42.147 -8.311 1.00 53.91 C
159
+ ATOM 159 CB ASP A 22 -9.016 42.960 -8.883 1.00 52.01 C
160
+ ATOM 160 CG ASP A 22 -8.568 44.026 -9.868 1.00 50.48 C
161
+ ATOM 161 N ASP A 22 -8.351 41.033 -7.510 1.00 54.35 N
162
+ ATOM 162 O ASP A 22 -7.371 43.649 -6.502 1.00 53.87 O
163
+ ATOM 163 OD1 ASP A 22 -7.348 44.172 -10.094 1.00 52.21 O
164
+ ATOM 164 OD2 ASP A 22 -9.443 44.728 -10.419 1.00 54.62 O
165
+ ATOM 165 C TYR A 23 -4.495 45.179 -7.677 1.00 52.52 C
166
+ ATOM 166 CA TYR A 23 -4.647 43.793 -7.060 1.00 52.37 C
167
+ ATOM 167 CB TYR A 23 -3.297 43.071 -7.058 1.00 50.12 C
168
+ ATOM 168 CD1 TYR A 23 -2.869 41.864 -4.881 1.00 46.10 C
169
+ ATOM 169 CD2 TYR A 23 -3.667 40.596 -6.741 1.00 47.49 C
170
+ ATOM 170 CE1 TYR A 23 -2.849 40.715 -4.098 1.00 47.13 C
171
+ ATOM 171 CE2 TYR A 23 -3.650 39.440 -5.968 1.00 47.73 C
172
+ ATOM 172 CG TYR A 23 -3.278 41.821 -6.212 1.00 48.76 C
173
+ ATOM 173 CZ TYR A 23 -3.240 39.509 -4.649 1.00 46.48 C
174
+ ATOM 174 N TYR A 23 -5.646 43.009 -7.780 1.00 52.29 N
175
+ ATOM 175 O TYR A 23 -3.574 45.921 -7.328 1.00 51.90 O
176
+ ATOM 176 OH TYR A 23 -3.222 38.368 -3.879 1.00 40.12 O
177
+ ATOM 177 C GLY A 24 -4.414 47.110 -10.204 1.00 57.50 C
178
+ ATOM 178 CA GLY A 24 -5.392 46.960 -9.055 1.00 55.90 C
179
+ ATOM 179 N GLY A 24 -5.426 45.614 -8.504 1.00 57.03 N
180
+ ATOM 180 O GLY A 24 -4.244 48.206 -10.742 1.00 56.96 O
181
+ ATOM 181 C ASP A 25 -3.075 45.573 -12.924 1.00 46.87 C
182
+ ATOM 182 CA ASP A 25 -2.595 46.218 -11.625 1.00 46.06 C
183
+ ATOM 183 CB ASP A 25 -1.255 45.611 -11.202 1.00 42.48 C
184
+ ATOM 184 CG ASP A 25 -1.365 44.151 -10.803 1.00 40.59 C
185
+ ATOM 185 N ASP A 25 -3.586 46.063 -10.565 1.00 47.03 N
186
+ ATOM 186 O ASP A 25 -2.321 45.483 -13.894 1.00 45.09 O
187
+ ATOM 187 OD1 ASP A 25 -2.486 43.597 -10.818 1.00 44.32 O
188
+ ATOM 188 OD2 ASP A 25 -0.322 43.549 -10.466 1.00 51.04 O
189
+ ATOM 189 C GLY A 26 -4.644 43.245 -14.342 1.00 42.74 C
190
+ ATOM 190 CA GLY A 26 -4.953 44.729 -14.283 1.00 41.61 C
191
+ ATOM 191 N GLY A 26 -4.431 45.376 -13.090 1.00 43.17 N
192
+ ATOM 192 O GLY A 26 -5.046 42.559 -15.284 1.00 40.09 O
193
+ ATOM 193 C LYS A 27 -4.373 40.628 -12.260 1.00 42.38 C
194
+ ATOM 194 CA LYS A 27 -3.500 41.304 -13.313 1.00 41.95 C
195
+ ATOM 195 CB LYS A 27 -2.022 41.067 -12.999 1.00 39.09 C
196
+ ATOM 196 CD LYS A 27 0.359 41.091 -13.816 1.00 37.20 C
197
+ ATOM 197 CE LYS A 27 1.321 41.617 -14.874 1.00 32.73 C
198
+ ATOM 198 CG LYS A 27 -1.074 41.524 -14.099 1.00 35.82 C
199
+ ATOM 199 N LYS A 27 -3.784 42.734 -13.393 1.00 43.17 N
200
+ ATOM 200 NZ LYS A 27 2.733 41.237 -14.575 1.00 32.51 N
201
+ ATOM 201 O LYS A 27 -4.612 41.191 -11.189 1.00 40.36 O
202
+ ATOM 202 C TRP A 28 -5.494 37.676 -11.591 1.00 30.19 C
203
+ ATOM 203 CA TRP A 28 -6.193 38.957 -12.038 1.00 40.49 C
204
+ ATOM 204 CB TRP A 28 -7.406 38.613 -12.906 1.00 31.57 C
205
+ ATOM 205 CD1 TRP A 28 -7.859 40.485 -14.603 1.00 29.85 C
206
+ ATOM 206 CD2 TRP A 28 -9.238 40.483 -12.839 1.00 28.70 C
207
+ ATOM 207 CE2 TRP A 28 -9.591 41.555 -13.688 1.00 16.99 C
208
+ ATOM 208 CE3 TRP A 28 -9.969 40.280 -11.661 1.00 23.37 C
209
+ ATOM 209 CG TRP A 28 -8.129 39.812 -13.444 1.00 33.59 C
210
+ ATOM 210 CH2 TRP A 28 -11.345 42.203 -12.236 1.00 22.57 C
211
+ ATOM 211 CZ2 TRP A 28 -10.646 42.423 -13.394 1.00 21.67 C
212
+ ATOM 212 CZ3 TRP A 28 -11.018 41.145 -11.371 1.00 22.67 C
213
+ ATOM 213 N TRP A 28 -5.273 39.827 -12.763 1.00 28.80 N
214
+ ATOM 214 NE1 TRP A 28 -8.736 41.535 -14.756 1.00 22.80 N
215
+ ATOM 215 O TRP A 28 -4.743 37.071 -12.361 1.00 30.67 O
216
+ ATOM 216 C VAL A 29 -5.884 35.354 -9.352 1.00 44.78 C
217
+ ATOM 217 CA VAL A 29 -4.761 36.250 -9.869 1.00 44.27 C
218
+ ATOM 218 CB VAL A 29 -3.703 36.470 -8.764 1.00 42.62 C
219
+ ATOM 219 CG1 VAL A 29 -3.017 35.155 -8.402 1.00 37.49 C
220
+ ATOM 220 CG2 VAL A 29 -2.675 37.508 -9.212 1.00 38.76 C
221
+ ATOM 221 N VAL A 29 -5.315 37.513 -10.342 1.00 45.06 N
222
+ ATOM 222 O VAL A 29 -6.705 35.785 -8.538 1.00 43.40 O
223
+ ATOM 223 C ALA A 30 -6.623 32.698 -8.366 1.00 45.36 C
224
+ ATOM 224 CA ALA A 30 -7.092 33.241 -9.713 1.00 43.04 C
225
+ ATOM 225 CB ALA A 30 -7.161 32.114 -10.742 1.00 42.11 C
226
+ ATOM 226 N ALA A 30 -6.214 34.308 -10.184 1.00 45.40 N
227
+ ATOM 227 O ALA A 30 -5.431 32.452 -8.171 1.00 43.62 O
228
+ ATOM 228 C GLN A 31 -7.351 31.093 -5.881 1.00 42.77 C
229
+ ATOM 229 CA GLN A 31 -6.862 32.511 -6.155 1.00 41.66 C
230
+ ATOM 230 CB GLN A 31 -7.327 33.451 -5.041 1.00 39.80 C
231
+ ATOM 231 CD GLN A 31 -6.084 34.584 -3.149 1.00 40.40 C
232
+ ATOM 232 CG GLN A 31 -6.296 34.500 -4.649 1.00 37.43 C
233
+ ATOM 233 N GLN A 31 -7.325 32.988 -7.453 1.00 42.83 N
234
+ ATOM 234 NE2 GLN A 31 -4.972 35.185 -2.740 1.00 34.50 N
235
+ ATOM 235 O GLN A 31 -6.610 30.267 -5.343 1.00 40.68 O
236
+ ATOM 236 OE1 GLN A 31 -6.914 34.114 -2.364 1.00 39.32 O
237
+ ATOM 237 C TRP A 32 -10.040 28.726 -6.720 1.00 31.85 C
238
+ ATOM 238 CA TRP A 32 -9.183 29.528 -5.747 1.00 40.38 C
239
+ ATOM 239 CB TRP A 32 -10.038 30.002 -4.567 1.00 32.04 C
240
+ ATOM 240 CD1 TRP A 32 -9.006 32.160 -3.635 1.00 31.25 C
241
+ ATOM 241 CD2 TRP A 32 -8.714 30.359 -2.336 1.00 33.22 C
242
+ ATOM 242 CE2 TRP A 32 -8.103 31.471 -1.714 1.00 31.19 C
243
+ ATOM 243 CE3 TRP A 32 -8.660 29.111 -1.701 1.00 34.88 C
244
+ ATOM 244 CG TRP A 32 -9.287 30.823 -3.563 1.00 32.01 C
245
+ ATOM 245 CH2 TRP A 32 -7.406 30.137 0.114 1.00 26.19 C
246
+ ATOM 246 CZ2 TRP A 32 -7.445 31.369 -0.485 1.00 27.09 C
247
+ ATOM 247 CZ3 TRP A 32 -8.004 29.013 -0.479 1.00 28.34 C
248
+ ATOM 248 N TRP A 32 -8.558 30.664 -6.416 1.00 31.07 N
249
+ ATOM 249 NE1 TRP A 32 -8.295 32.555 -2.526 1.00 32.07 N
250
+ ATOM 250 O TRP A 32 -10.482 29.251 -7.745 1.00 32.10 O
251
+ ATOM 251 C ASP A 33 -12.252 26.162 -6.791 1.00 41.85 C
252
+ ATOM 252 CA ASP A 33 -10.814 26.189 -7.304 1.00 41.53 C
253
+ ATOM 253 CB ASP A 33 -10.165 24.815 -7.122 1.00 39.77 C
254
+ ATOM 254 CG ASP A 33 -9.526 24.287 -8.395 1.00 37.56 C
255
+ ATOM 255 N ASP A 33 -10.033 27.218 -6.625 1.00 42.01 N
256
+ ATOM 256 O ASP A 33 -12.496 26.380 -5.603 1.00 41.01 O
257
+ ATOM 257 OD1 ASP A 33 -9.888 24.753 -9.497 1.00 38.60 O
258
+ ATOM 258 OD2 ASP A 33 -8.655 23.395 -8.295 1.00 35.93 O
259
+ ATOM 259 C THR A 34 -15.328 25.541 -7.898 1.00 43.03 C
260
+ ATOM 260 CA THR A 34 -14.362 26.625 -8.367 1.00 41.92 C
261
+ ATOM 261 CB THR A 34 -14.118 26.480 -9.880 1.00 40.01 C
262
+ ATOM 262 CG2 THR A 34 -14.177 27.836 -10.578 1.00 36.53 C
263
+ ATOM 263 N THR A 34 -13.110 26.560 -7.620 1.00 42.88 N
264
+ ATOM 264 O THR A 34 -14.917 24.410 -7.626 1.00 41.89 O
265
+ ATOM 265 OG1 THR A 34 -12.827 25.899 -10.096 1.00 33.86 O
266
+ ATOM 266 C ALA A 35 -17.790 24.674 -8.495 1.00 45.92 C
267
+ ATOM 267 CA ALA A 35 -17.433 25.013 -7.051 1.00 44.08 C
268
+ ATOM 268 CB ALA A 35 -18.601 25.719 -6.368 1.00 44.16 C
269
+ ATOM 269 N ALA A 35 -16.230 25.839 -6.987 1.00 45.87 N
270
+ ATOM 270 O ALA A 35 -17.776 25.547 -9.365 1.00 44.67 O
271
+ ATOM 271 C VAL A 36 -19.094 22.228 -10.209 1.00 47.55 C
272
+ ATOM 272 CA VAL A 36 -17.722 22.897 -10.275 1.00 45.42 C
273
+ ATOM 273 CB VAL A 36 -16.661 21.888 -10.769 1.00 44.50 C
274
+ ATOM 274 CG1 VAL A 36 -17.036 21.340 -12.145 1.00 39.42 C
275
+ ATOM 275 CG2 VAL A 36 -15.282 22.544 -10.810 1.00 41.08 C
276
+ ATOM 276 N VAL A 36 -17.376 23.441 -8.967 1.00 47.51 N
277
+ ATOM 277 O VAL A 36 -19.380 21.474 -9.276 1.00 45.71 O
278
+ ATOM 278 C PHE A 37 -21.530 21.628 -12.769 1.00 46.10 C
279
+ ATOM 279 CA PHE A 37 -21.381 22.143 -11.342 1.00 46.27 C
280
+ ATOM 280 CB PHE A 37 -22.488 23.156 -11.032 1.00 43.86 C
281
+ ATOM 281 CD1 PHE A 37 -23.436 22.786 -8.731 1.00 39.68 C
282
+ ATOM 282 CD2 PHE A 37 -21.862 24.558 -9.042 1.00 41.60 C
283
+ ATOM 283 CE1 PHE A 37 -23.538 23.109 -7.380 1.00 39.16 C
284
+ ATOM 284 CE2 PHE A 37 -21.959 24.888 -7.693 1.00 39.89 C
285
+ ATOM 285 CG PHE A 37 -22.598 23.507 -9.573 1.00 42.61 C
286
+ ATOM 286 CZ PHE A 37 -22.799 24.161 -6.864 1.00 40.38 C
287
+ ATOM 287 N PHE A 37 -20.068 22.741 -11.141 1.00 45.89 N
288
+ ATOM 288 O PHE A 37 -20.920 22.167 -13.696 1.00 45.29 O
289
+ ATOM 289 C HIS A 38 -24.237 19.988 -14.301 1.00 44.94 C
290
+ ATOM 290 CA HIS A 38 -22.744 19.772 -14.074 1.00 45.13 C
291
+ ATOM 291 CB HIS A 38 -22.427 18.276 -14.056 1.00 42.71 C
292
+ ATOM 292 CD2 HIS A 38 -19.945 18.003 -13.351 1.00 39.80 C
293
+ ATOM 293 CE1 HIS A 38 -19.137 17.375 -15.290 1.00 40.03 C
294
+ ATOM 294 CG HIS A 38 -20.973 17.969 -14.231 1.00 41.31 C
295
+ ATOM 295 N HIS A 38 -22.303 20.403 -12.835 1.00 44.87 N
296
+ ATOM 296 ND1 HIS A 38 -20.436 17.572 -15.437 1.00 46.49 N
297
+ ATOM 297 NE2 HIS A 38 -18.813 17.630 -14.033 1.00 37.35 N
298
+ ATOM 298 O HIS A 38 -25.045 19.761 -13.398 1.00 43.51 O
299
+ ATOM 299 C THR A 39 -26.383 19.743 -16.597 1.00 41.50 C
300
+ ATOM 300 CA THR A 39 -25.991 20.916 -15.705 1.00 40.35 C
301
+ ATOM 301 CB THR A 39 -26.179 22.237 -16.473 1.00 38.45 C
302
+ ATOM 302 CG2 THR A 39 -25.930 23.439 -15.570 1.00 35.67 C
303
+ ATOM 303 N THR A 39 -24.617 20.770 -15.232 1.00 41.46 N
304
+ ATOM 304 O THR A 39 -27.553 19.593 -16.955 1.00 39.81 O
305
+ ATOM 305 OG1 THR A 39 -25.260 22.278 -17.572 1.00 35.10 O
306
+ TER 306 THR A 39
307
+ ATOM 306 C ALA B 577 -6.694 37.738 5.689 1.00 44.58 C
308
+ ATOM 307 CA ALA B 577 -5.410 38.507 5.990 1.00 44.49 C
309
+ ATOM 308 CB ALA B 577 -4.322 38.130 4.988 1.00 41.29 C
310
+ ATOM 309 N ALA B 577 -4.955 38.255 7.354 1.00 43.38 N
311
+ ATOM 310 O ALA B 577 -6.822 36.566 6.052 1.00 44.33 O
312
+ ATOM 311 C PRO B 578 -8.893 36.676 4.324 1.00 48.10 C
313
+ ATOM 312 CA PRO B 578 -9.046 37.735 5.414 1.00 47.58 C
314
+ ATOM 313 CB PRO B 578 -10.012 38.837 4.972 1.00 45.83 C
315
+ ATOM 314 CD PRO B 578 -7.781 39.759 5.267 1.00 46.98 C
316
+ ATOM 315 CG PRO B 578 -9.142 40.017 4.686 1.00 44.55 C
317
+ ATOM 316 N PRO B 578 -7.802 38.463 5.674 1.00 47.99 N
318
+ ATOM 317 O PRO B 578 -8.117 36.860 3.384 1.00 47.13 O
319
+ ATOM 318 C VAL B 579 -10.511 34.391 2.765 1.00 53.05 C
320
+ ATOM 319 CA VAL B 579 -9.264 34.322 3.645 1.00 53.09 C
321
+ ATOM 320 CB VAL B 579 -9.180 32.947 4.343 1.00 51.76 C
322
+ ATOM 321 CG1 VAL B 579 -9.024 31.827 3.315 1.00 48.17 C
323
+ ATOM 322 CG2 VAL B 579 -8.021 32.925 5.339 1.00 49.47 C
324
+ ATOM 323 N VAL B 579 -9.282 35.415 4.612 1.00 53.12 N
325
+ ATOM 324 O VAL B 579 -11.635 34.434 3.273 1.00 52.19 O
326
+ ATOM 325 C PRO B 580 -12.203 33.224 0.538 1.00 51.16 C
327
+ ATOM 326 CA PRO B 580 -11.564 34.611 0.548 1.00 49.58 C
328
+ ATOM 327 CB PRO B 580 -11.023 34.973 -0.836 1.00 49.27 C
329
+ ATOM 328 CD PRO B 580 -9.182 34.693 0.728 1.00 48.34 C
330
+ ATOM 329 CG PRO B 580 -9.543 34.798 -0.727 1.00 47.71 C
331
+ ATOM 330 N PRO B 580 -10.376 34.679 1.403 1.00 50.86 N
332
+ ATOM 331 O PRO B 580 -11.495 32.214 0.509 1.00 50.28 O
333
+ ATOM 332 C VAL B 581 -15.377 32.119 -0.340 1.00 51.10 C
334
+ ATOM 333 CA VAL B 581 -14.244 31.882 0.656 1.00 50.65 C
335
+ ATOM 334 CB VAL B 581 -14.818 31.419 2.015 1.00 50.02 C
336
+ ATOM 335 CG1 VAL B 581 -15.514 30.066 1.873 1.00 46.39 C
337
+ ATOM 336 CG2 VAL B 581 -13.710 31.346 3.064 1.00 48.10 C
338
+ ATOM 337 N VAL B 581 -13.448 33.096 0.798 1.00 51.33 N
339
+ ATOM 338 O VAL B 581 -15.937 33.216 -0.404 1.00 49.97 O
340
+ ATOM 339 C THR B 582 -17.791 30.315 -1.963 1.00 53.37 C
341
+ ATOM 340 CA THR B 582 -16.712 31.333 -2.323 1.00 51.98 C
342
+ ATOM 341 CB THR B 582 -16.232 31.088 -3.765 1.00 50.70 C
343
+ ATOM 342 CG2 THR B 582 -15.852 32.398 -4.448 1.00 48.16 C
344
+ ATOM 343 N THR B 582 -15.602 31.265 -1.378 1.00 53.16 N
345
+ ATOM 344 O THR B 582 -17.483 29.199 -1.538 1.00 52.03 O
346
+ ATOM 345 OG1 THR B 582 -15.089 30.224 -3.743 1.00 46.92 O
347
+ ATOM 346 C LYS B 583 -21.011 30.054 -2.844 1.00 51.85 C
348
+ ATOM 347 CA LYS B 583 -20.100 29.953 -1.624 1.00 50.92 C
349
+ ATOM 348 CB LYS B 583 -20.876 30.323 -0.359 1.00 50.53 C
350
+ ATOM 349 CD LYS B 583 -22.452 29.604 1.468 1.00 50.85 C
351
+ ATOM 350 CE LYS B 583 -23.430 28.536 1.937 1.00 46.96 C
352
+ ATOM 351 CG LYS B 583 -21.800 29.225 0.145 1.00 49.42 C
353
+ ATOM 352 N LYS B 583 -18.925 30.806 -1.773 1.00 51.81 N
354
+ ATOM 353 NZ LYS B 583 -23.982 28.847 3.290 1.00 43.29 N
355
+ ATOM 354 O LYS B 583 -21.234 31.147 -3.370 1.00 50.81 O
356
+ ATOM 355 C LEU B 584 -23.703 28.438 -3.771 1.00 50.66 C
357
+ ATOM 356 CA LEU B 584 -22.363 28.794 -4.406 1.00 49.26 C
358
+ ATOM 357 CB LEU B 584 -21.977 27.734 -5.441 1.00 48.29 C
359
+ ATOM 358 CD1 LEU B 584 -22.838 28.732 -7.574 1.00 44.77 C
360
+ ATOM 359 CD2 LEU B 584 -22.656 26.240 -7.341 1.00 45.95 C
361
+ ATOM 360 CG LEU B 584 -22.941 27.550 -6.615 1.00 46.89 C
362
+ ATOM 361 N LEU B 584 -21.323 28.918 -3.390 1.00 50.47 N
363
+ ATOM 362 O LEU B 584 -23.790 27.494 -2.983 1.00 49.43 O
364
+ ATOM 363 C VAL B 585 -26.941 28.931 -4.650 1.00 51.60 C
365
+ ATOM 364 CA VAL B 585 -26.006 29.097 -3.454 1.00 50.55 C
366
+ ATOM 365 CB VAL B 585 -26.502 30.245 -2.545 1.00 50.43 C
367
+ ATOM 366 CG1 VAL B 585 -27.879 29.920 -1.969 1.00 46.98 C
368
+ ATOM 367 CG2 VAL B 585 -25.498 30.508 -1.425 1.00 48.85 C
369
+ ATOM 368 N VAL B 585 -24.644 29.332 -3.920 1.00 51.47 N
370
+ ATOM 369 O VAL B 585 -26.855 29.686 -5.623 1.00 50.58 O
371
+ ATOM 370 C CYS B 586 -30.074 28.039 -4.944 1.00 46.59 C
372
+ ATOM 371 CA CYS B 586 -28.749 27.537 -5.503 1.00 47.82 C
373
+ ATOM 372 CB CYS B 586 -28.837 26.038 -5.782 1.00 45.53 C
374
+ ATOM 373 N CYS B 586 -27.653 27.823 -4.585 1.00 46.19 N
375
+ ATOM 374 O CYS B 586 -30.396 27.792 -3.780 1.00 46.42 O
376
+ ATOM 375 SG CYS B 586 -27.394 25.370 -6.639 1.00 50.37 S
377
+ ATOM 376 C ASP B 587 -32.988 28.858 -6.646 1.00 51.56 C
378
+ ATOM 377 CA ASP B 587 -32.160 29.279 -5.434 1.00 50.18 C
379
+ ATOM 378 CB ASP B 587 -32.300 30.785 -5.200 1.00 49.48 C
380
+ ATOM 379 CG ASP B 587 -33.700 31.191 -4.775 1.00 47.99 C
381
+ ATOM 380 N ASP B 587 -30.757 28.916 -5.605 1.00 51.00 N
382
+ ATOM 381 O ASP B 587 -33.040 29.572 -7.649 1.00 51.16 O
383
+ ATOM 382 OD1 ASP B 587 -34.544 30.304 -4.527 1.00 51.30 O
384
+ ATOM 383 OD2 ASP B 587 -33.961 32.411 -4.689 1.00 53.16 O
385
+ ATOM 384 C GLY B 588 -33.384 26.767 -8.996 1.00 49.08 C
386
+ ATOM 385 CA GLY B 588 -34.272 27.035 -7.795 1.00 48.65 C
387
+ ATOM 386 N GLY B 588 -33.549 27.587 -6.661 1.00 50.11 N
388
+ ATOM 387 O GLY B 588 -32.439 25.981 -8.911 1.00 46.76 O
389
+ ATOM 388 C ASP B 589 -31.985 28.447 -11.415 1.00 53.80 C
390
+ ATOM 389 CA ASP B 589 -33.092 27.394 -11.455 1.00 52.85 C
391
+ ATOM 390 CB ASP B 589 -34.002 27.634 -12.661 1.00 50.87 C
392
+ ATOM 391 CG ASP B 589 -35.062 26.559 -12.827 1.00 49.00 C
393
+ ATOM 392 N ASP B 589 -33.868 27.402 -10.218 1.00 54.14 N
394
+ ATOM 393 O ASP B 589 -31.336 28.711 -12.429 1.00 52.05 O
395
+ ATOM 394 OD1 ASP B 589 -34.856 25.422 -12.350 1.00 50.16 O
396
+ ATOM 395 OD2 ASP B 589 -36.110 26.850 -13.442 1.00 51.94 O
397
+ ATOM 396 C THR B 590 -29.891 29.959 -9.314 1.00 57.91 C
398
+ ATOM 397 CA THR B 590 -31.069 30.299 -10.222 1.00 56.45 C
399
+ ATOM 398 CB THR B 590 -31.755 31.583 -9.720 1.00 54.50 C
400
+ ATOM 399 CG2 THR B 590 -30.855 32.799 -9.913 1.00 50.57 C
401
+ ATOM 400 N THR B 590 -32.010 29.187 -10.287 1.00 58.05 N
402
+ ATOM 401 O THR B 590 -30.081 29.452 -8.207 1.00 55.57 O
403
+ ATOM 402 OG1 THR B 590 -32.973 31.783 -10.447 1.00 52.45 O
404
+ ATOM 403 C TYR B 591 -26.734 31.063 -8.936 1.00 56.77 C
405
+ ATOM 404 CA TYR B 591 -27.465 29.763 -9.249 1.00 56.05 C
406
+ ATOM 405 CB TYR B 591 -26.540 28.815 -10.020 1.00 54.79 C
407
+ ATOM 406 CD1 TYR B 591 -26.889 26.410 -9.330 1.00 52.14 C
408
+ ATOM 407 CD2 TYR B 591 -27.912 27.169 -11.352 1.00 52.47 C
409
+ ATOM 408 CE1 TYR B 591 -27.424 25.141 -9.528 1.00 51.00 C
410
+ ATOM 409 CE2 TYR B 591 -28.451 25.904 -11.559 1.00 49.35 C
411
+ ATOM 410 CG TYR B 591 -27.124 27.441 -10.238 1.00 53.56 C
412
+ ATOM 411 CZ TYR B 591 -28.202 24.899 -10.643 1.00 55.11 C
413
+ ATOM 412 N TYR B 591 -28.684 30.019 -10.008 1.00 56.92 N
414
+ ATOM 413 O TYR B 591 -26.590 31.925 -9.806 1.00 55.28 O
415
+ ATOM 414 OH TYR B 591 -28.734 23.644 -10.845 1.00 49.02 O
416
+ ATOM 415 C LYS B 592 -24.419 32.051 -6.578 1.00 57.67 C
417
+ ATOM 416 CA LYS B 592 -25.774 32.413 -7.178 1.00 56.73 C
418
+ ATOM 417 CB LYS B 592 -26.596 33.215 -6.167 1.00 55.74 C
419
+ ATOM 418 CD LYS B 592 -28.239 35.078 -5.759 1.00 54.03 C
420
+ ATOM 419 CE LYS B 592 -29.245 36.031 -6.391 1.00 50.83 C
421
+ ATOM 420 CG LYS B 592 -27.586 34.181 -6.803 1.00 54.33 C
422
+ ATOM 421 N LYS B 592 -26.501 31.219 -7.598 1.00 57.74 N
423
+ ATOM 422 NZ LYS B 592 -29.908 36.894 -5.368 1.00 45.58 N
424
+ ATOM 423 O LYS B 592 -24.326 31.156 -5.735 1.00 56.05 O
425
+ ATOM 424 C CYS B 593 -21.700 33.761 -5.875 1.00 57.05 C
426
+ ATOM 425 CA CYS B 593 -22.040 32.535 -6.714 1.00 57.20 C
427
+ ATOM 426 CB CYS B 593 -21.010 32.372 -7.833 1.00 55.72 C
428
+ ATOM 427 N CYS B 593 -23.385 32.637 -7.269 1.00 57.19 N
429
+ ATOM 428 O CYS B 593 -21.679 34.882 -6.385 1.00 55.77 O
430
+ ATOM 429 SG CYS B 593 -19.528 31.468 -7.333 1.00 57.17 S
431
+ ATOM 430 C THR B 594 -19.796 34.391 -3.095 1.00 57.38 C
432
+ ATOM 431 CA THR B 594 -21.176 34.635 -3.698 1.00 56.37 C
433
+ ATOM 432 CB THR B 594 -22.207 34.823 -2.569 1.00 55.63 C
434
+ ATOM 433 CG2 THR B 594 -21.884 36.054 -1.728 1.00 54.11 C
435
+ ATOM 434 N THR B 594 -21.554 33.539 -4.583 1.00 57.38 N
436
+ ATOM 435 O THR B 594 -19.496 33.284 -2.645 1.00 55.77 O
437
+ ATOM 436 OG1 THR B 594 -23.511 34.979 -3.142 1.00 55.15 O
438
+ ATOM 437 C ALA B 595 -17.698 35.859 -1.230 1.00 54.83 C
439
+ ATOM 438 CA ALA B 595 -17.614 35.252 -2.628 1.00 53.62 C
440
+ ATOM 439 CB ALA B 595 -16.598 36.014 -3.475 1.00 53.02 C
441
+ ATOM 440 N ALA B 595 -18.922 35.251 -3.279 1.00 54.68 N
442
+ ATOM 441 O ALA B 595 -18.363 36.877 -1.028 1.00 53.61 O
443
+ ATOM 442 C TYR B 596 -15.674 35.649 1.585 1.00 54.48 C
444
+ ATOM 443 CA TYR B 596 -17.130 35.481 1.166 1.00 53.36 C
445
+ ATOM 444 CB TYR B 596 -17.827 34.477 2.088 1.00 52.07 C
446
+ ATOM 445 CD1 TYR B 596 -20.246 35.069 2.510 1.00 47.73 C
447
+ ATOM 446 CD2 TYR B 596 -19.756 33.421 0.851 1.00 48.36 C
448
+ ATOM 447 CE1 TYR B 596 -21.607 34.927 2.259 1.00 48.87 C
449
+ ATOM 448 CE2 TYR B 596 -21.114 33.271 0.593 1.00 48.29 C
450
+ ATOM 449 CG TYR B 596 -19.302 34.319 1.811 1.00 49.81 C
451
+ ATOM 450 CZ TYR B 596 -22.030 34.027 1.300 1.00 50.36 C
452
+ ATOM 451 N TYR B 596 -17.226 35.053 -0.224 1.00 54.42 N
453
+ ATOM 452 O TYR B 596 -14.786 34.989 1.043 1.00 52.78 O
454
+ ATOM 453 OH TYR B 596 -23.376 33.881 1.047 1.00 47.57 O
455
+ ATOM 454 C LEU B 597 -14.302 36.285 4.521 1.00 53.40 C
456
+ ATOM 455 CA LEU B 597 -14.150 36.768 3.083 1.00 52.72 C
457
+ ATOM 456 CB LEU B 597 -13.636 38.210 3.069 1.00 51.65 C
458
+ ATOM 457 CD1 LEU B 597 -12.982 40.239 1.749 1.00 48.81 C
459
+ ATOM 458 CD2 LEU B 597 -11.712 38.094 1.460 1.00 49.35 C
460
+ ATOM 459 CG LEU B 597 -13.075 38.717 1.738 1.00 50.67 C
461
+ ATOM 460 N LEU B 597 -15.416 36.670 2.365 1.00 53.19 N
462
+ ATOM 461 O LEU B 597 -15.249 36.667 5.212 1.00 52.38 O
463
+ ATOM 462 C ASP B 598 -12.196 35.549 6.885 1.00 54.29 C
464
+ ATOM 463 CA ASP B 598 -13.315 34.775 6.193 1.00 53.52 C
465
+ ATOM 464 CB ASP B 598 -13.016 33.275 6.225 1.00 51.57 C
466
+ ATOM 465 CG ASP B 598 -12.976 32.709 7.633 1.00 50.32 C
467
+ ATOM 466 N ASP B 598 -13.498 35.232 4.819 1.00 53.81 N
468
+ ATOM 467 O ASP B 598 -11.038 35.484 6.466 1.00 53.27 O
469
+ ATOM 468 OD1 ASP B 598 -13.110 33.481 8.606 1.00 51.75 O
470
+ ATOM 469 OD2 ASP B 598 -12.805 31.478 7.771 1.00 53.80 O
471
+ ATOM 470 C TYR B 599 -11.074 36.493 9.792 1.00 49.94 C
472
+ ATOM 471 CA TYR B 599 -11.649 37.236 8.592 1.00 49.93 C
473
+ ATOM 472 CB TYR B 599 -12.330 38.528 9.055 1.00 47.49 C
474
+ ATOM 473 CD1 TYR B 599 -11.814 40.464 7.517 1.00 43.52 C
475
+ ATOM 474 CD2 TYR B 599 -13.910 39.345 7.267 1.00 45.18 C
476
+ ATOM 475 CE1 TYR B 599 -12.144 41.328 6.478 1.00 45.87 C
477
+ ATOM 476 CE2 TYR B 599 -14.250 40.203 6.226 1.00 45.91 C
478
+ ATOM 477 CG TYR B 599 -12.691 39.461 7.926 1.00 46.03 C
479
+ ATOM 478 CZ TYR B 599 -13.362 41.190 5.839 1.00 44.76 C
480
+ ATOM 479 N TYR B 599 -12.591 36.395 7.861 1.00 49.76 N
481
+ ATOM 480 O TYR B 599 -10.447 37.100 10.664 1.00 48.94 O
482
+ ATOM 481 OH TYR B 599 -13.693 42.042 4.810 1.00 39.52 O
483
+ ATOM 482 C GLY B 600 -11.442 34.391 12.190 1.00 57.62 C
484
+ ATOM 483 CA GLY B 600 -10.621 34.395 10.914 1.00 56.01 C
485
+ ATOM 484 N GLY B 600 -11.219 35.190 9.853 1.00 56.86 N
486
+ ATOM 485 O GLY B 600 -11.004 33.861 13.213 1.00 57.54 O
487
+ ATOM 486 C ASP B 601 -14.625 34.214 13.385 1.00 43.31 C
488
+ ATOM 487 CA ASP B 601 -13.404 35.126 13.473 1.00 42.95 C
489
+ ATOM 488 CB ASP B 601 -13.840 36.562 13.774 1.00 39.83 C
490
+ ATOM 489 CG ASP B 601 -14.606 37.202 12.630 1.00 38.27 C
491
+ ATOM 490 N ASP B 601 -12.623 35.077 12.241 1.00 43.51 N
492
+ ATOM 491 O ASP B 601 -15.489 34.238 14.265 1.00 41.93 O
493
+ ATOM 492 OD1 ASP B 601 -14.806 36.544 11.586 1.00 42.07 O
494
+ ATOM 493 OD2 ASP B 601 -15.012 38.376 12.774 1.00 50.50 O
495
+ ATOM 494 C GLY B 602 -16.925 33.039 11.579 1.00 43.88 C
496
+ ATOM 495 CA GLY B 602 -15.756 32.343 12.250 1.00 42.98 C
497
+ ATOM 496 N GLY B 602 -14.607 33.213 12.443 1.00 44.30 N
498
+ ATOM 497 O GLY B 602 -17.959 32.418 11.323 1.00 41.40 O
499
+ ATOM 498 C LYS B 603 -17.515 35.434 9.256 1.00 40.67 C
500
+ ATOM 499 CA LYS B 603 -17.909 35.129 10.699 1.00 40.09 C
501
+ ATOM 500 CB LYS B 603 -18.222 36.428 11.443 1.00 37.27 C
502
+ ATOM 501 CD LYS B 603 -19.296 37.525 13.437 1.00 36.38 C
503
+ ATOM 502 CE LYS B 603 -19.784 37.334 14.867 1.00 30.92 C
504
+ ATOM 503 CG LYS B 603 -18.785 36.219 12.842 1.00 34.21 C
505
+ ATOM 504 N LYS B 603 -16.859 34.383 11.386 1.00 41.38 N
506
+ ATOM 505 NZ LYS B 603 -20.245 38.619 15.471 1.00 31.10 N
507
+ ATOM 506 O LYS B 603 -16.346 35.701 8.971 1.00 38.46 O
508
+ ATOM 507 C TRP B 604 -18.951 36.391 6.475 1.00 34.93 C
509
+ ATOM 508 CA TRP B 604 -18.254 35.102 6.900 1.00 44.20 C
510
+ ATOM 509 CB TRP B 604 -18.877 33.907 6.174 1.00 35.35 C
511
+ ATOM 510 CD1 TRP B 604 -18.665 31.875 7.728 1.00 33.68 C
512
+ ATOM 511 CD2 TRP B 604 -17.345 31.800 5.922 1.00 34.17 C
513
+ ATOM 512 CE2 TRP B 604 -17.130 30.632 6.688 1.00 31.48 C
514
+ ATOM 513 CE3 TRP B 604 -16.622 31.974 4.734 1.00 36.17 C
515
+ ATOM 514 CG TRP B 604 -18.329 32.580 6.606 1.00 36.56 C
516
+ ATOM 515 CH2 TRP B 604 -15.528 29.838 5.137 1.00 25.62 C
517
+ ATOM 516 CZ2 TRP B 604 -16.222 29.643 6.303 1.00 26.63 C
518
+ ATOM 517 CZ3 TRP B 604 -15.718 30.988 4.353 1.00 28.28 C
519
+ ATOM 518 N TRP B 604 -18.328 34.922 8.346 1.00 34.48 N
520
+ ATOM 519 NE1 TRP B 604 -17.947 30.703 7.784 1.00 32.40 N
521
+ ATOM 520 O TRP B 604 -20.041 36.704 6.963 1.00 34.77 O
522
+ ATOM 521 C VAL B 605 -18.934 38.399 3.815 1.00 44.10 C
523
+ ATOM 522 CA VAL B 605 -18.854 38.523 5.335 1.00 43.50 C
524
+ ATOM 523 CB VAL B 605 -18.070 39.795 5.725 1.00 41.85 C
525
+ ATOM 524 CG1 VAL B 605 -18.786 41.047 5.221 1.00 37.22 C
526
+ ATOM 525 CG2 VAL B 605 -17.877 39.860 7.239 1.00 38.30 C
527
+ ATOM 526 N VAL B 605 -18.243 37.324 5.897 1.00 44.46 N
528
+ ATOM 527 O VAL B 605 -17.934 38.107 3.156 1.00 42.56 O
529
+ ATOM 528 C ALA B 606 -19.809 39.510 1.263 1.00 45.34 C
530
+ ATOM 529 CA ALA B 606 -20.451 38.266 1.871 1.00 42.82 C
531
+ ATOM 530 CB ALA B 606 -21.953 38.260 1.602 1.00 41.65 C
532
+ ATOM 531 N ALA B 606 -20.189 38.189 3.305 1.00 45.27 N
533
+ ATOM 532 O ALA B 606 -19.956 40.613 1.793 1.00 43.73 O
534
+ ATOM 533 C GLN B 607 -18.487 40.110 -1.918 1.00 40.63 C
535
+ ATOM 534 CA GLN B 607 -18.307 40.401 -0.431 1.00 41.36 C
536
+ ATOM 535 CB GLN B 607 -16.821 40.545 -0.101 1.00 38.60 C
537
+ ATOM 536 CD GLN B 607 -14.995 42.186 0.516 1.00 41.97 C
538
+ ATOM 537 CG GLN B 607 -16.471 41.848 0.604 1.00 36.88 C
539
+ ATOM 538 N GLN B 607 -18.915 39.355 0.385 1.00 41.02 N
540
+ ATOM 539 NE2 GLN B 607 -14.642 43.410 0.895 1.00 35.30 N
541
+ ATOM 540 O GLN B 607 -18.512 38.949 -2.332 1.00 39.75 O
542
+ ATOM 541 OE1 GLN B 607 -14.177 41.353 0.110 1.00 44.75 O
543
+ ATOM 542 C TRP B 608 -19.698 40.349 -5.195 1.00 23.14 C
544
+ ATOM 543 CA TRP B 608 -19.494 41.477 -4.189 1.00 39.16 C
545
+ ATOM 544 CB TRP B 608 -18.364 42.398 -4.656 1.00 24.79 C
546
+ ATOM 545 CD1 TRP B 608 -17.299 43.519 -2.608 1.00 25.83 C
547
+ ATOM 546 CD2 TRP B 608 -18.597 44.873 -3.833 1.00 21.01 C
548
+ ATOM 547 CE2 TRP B 608 -18.077 45.608 -2.744 1.00 10.33 C
549
+ ATOM 548 CE3 TRP B 608 -19.443 45.517 -4.745 1.00 20.18 C
550
+ ATOM 549 CG TRP B 608 -18.085 43.541 -3.726 1.00 27.33 C
551
+ ATOM 550 CH2 TRP B 608 -19.208 47.563 -3.451 1.00 19.81 C
552
+ ATOM 551 CZ2 TRP B 608 -18.378 46.957 -2.543 1.00 18.99 C
553
+ ATOM 552 CZ3 TRP B 608 -19.741 46.860 -4.543 1.00 19.25 C
554
+ ATOM 553 N TRP B 608 -19.206 40.945 -2.861 1.00 20.11 N
555
+ ATOM 554 NE1 TRP B 608 -17.290 44.760 -2.013 1.00 20.37 N
556
+ ATOM 555 O TRP B 608 -19.306 39.207 -4.944 1.00 24.53 O
557
+ ATOM 556 C ASP B 609 -21.546 38.713 -7.733 1.00 41.97 C
558
+ ATOM 557 CA ASP B 609 -21.328 40.211 -7.535 1.00 41.33 C
559
+ ATOM 558 CB ASP B 609 -20.672 40.816 -8.779 1.00 38.93 C
560
+ ATOM 559 CG ASP B 609 -21.517 41.897 -9.428 1.00 36.56 C
561
+ ATOM 560 N ASP B 609 -20.517 40.472 -6.350 1.00 41.85 N
562
+ ATOM 561 O ASP B 609 -20.597 37.928 -7.665 1.00 40.85 O
563
+ ATOM 562 OD1 ASP B 609 -22.742 41.942 -9.186 1.00 38.46 O
564
+ ATOM 563 OD2 ASP B 609 -20.953 42.710 -10.193 1.00 34.90 O
565
+ ATOM 564 C THR B 610 -23.464 36.948 -9.067 1.00 44.81 C
566
+ ATOM 565 CA THR B 610 -23.389 37.111 -7.552 1.00 43.24 C
567
+ ATOM 566 CB THR B 610 -24.812 37.212 -6.973 1.00 41.30 C
568
+ ATOM 567 CG2 THR B 610 -24.973 36.318 -5.748 1.00 36.74 C
569
+ ATOM 568 N THR B 610 -22.587 38.276 -7.195 1.00 44.58 N
570
+ ATOM 569 O THR B 610 -23.607 37.932 -9.796 1.00 43.59 O
571
+ ATOM 570 OG1 THR B 610 -25.073 38.570 -6.596 1.00 34.95 O
572
+ ATOM 571 C ALA B 611 -24.301 34.645 -10.774 1.00 48.97 C
573
+ ATOM 572 CA ALA B 611 -23.075 35.547 -10.892 1.00 46.37 C
574
+ ATOM 573 CB ALA B 611 -21.924 34.792 -11.551 1.00 45.72 C
575
+ ATOM 574 N ALA B 611 -22.668 36.054 -9.584 1.00 48.78 N
576
+ ATOM 575 O ALA B 611 -24.408 33.851 -9.836 1.00 47.61 O
577
+ ATOM 576 C VAL B 612 -26.922 33.849 -12.683 1.00 48.80 C
578
+ ATOM 577 CA VAL B 612 -26.728 34.487 -11.310 1.00 46.62 C
579
+ ATOM 578 CB VAL B 612 -27.906 35.431 -10.989 1.00 45.23 C
580
+ ATOM 579 CG1 VAL B 612 -29.231 34.672 -11.020 1.00 39.10 C
581
+ ATOM 580 CG2 VAL B 612 -27.701 36.099 -9.631 1.00 40.71 C
582
+ ATOM 581 N VAL B 612 -25.450 35.190 -11.268 1.00 48.62 N
583
+ ATOM 582 O VAL B 612 -26.629 34.468 -13.709 1.00 47.11 O
584
+ ATOM 583 C PHE B 613 -28.877 31.046 -13.742 1.00 45.15 C
585
+ ATOM 584 CA PHE B 613 -27.688 31.960 -14.012 1.00 46.82 C
586
+ ATOM 585 CB PHE B 613 -26.570 31.174 -14.705 1.00 43.14 C
587
+ ATOM 586 CD1 PHE B 613 -24.894 32.720 -15.769 1.00 39.40 C
588
+ ATOM 587 CD2 PHE B 613 -24.346 31.718 -13.668 1.00 41.61 C
589
+ ATOM 588 CE1 PHE B 613 -23.666 33.379 -15.780 1.00 37.53 C
590
+ ATOM 589 CE2 PHE B 613 -23.118 32.375 -13.672 1.00 40.01 C
591
+ ATOM 590 CG PHE B 613 -25.244 31.885 -14.714 1.00 42.42 C
592
+ ATOM 591 CZ PHE B 613 -22.780 33.203 -14.729 1.00 38.80 C
593
+ ATOM 592 N PHE B 613 -27.202 32.558 -12.773 1.00 44.79 N
594
+ ATOM 593 O PHE B 613 -29.076 30.595 -12.611 1.00 45.13 O
595
+ ATOM 594 C HIS B 614 -30.537 28.792 -15.811 1.00 48.50 C
596
+ ATOM 595 CA HIS B 614 -30.825 30.006 -14.934 1.00 49.75 C
597
+ ATOM 596 CB HIS B 614 -31.963 30.831 -15.538 1.00 46.20 C
598
+ ATOM 597 CD2 HIS B 614 -32.230 33.187 -14.487 1.00 41.59 C
599
+ ATOM 598 CE1 HIS B 614 -33.749 32.691 -12.986 1.00 39.48 C
600
+ ATOM 599 CG HIS B 614 -32.509 31.869 -14.608 1.00 44.38 C
601
+ ATOM 600 N HIS B 614 -29.632 30.828 -14.765 1.00 48.58 N
602
+ ATOM 601 ND1 HIS B 614 -33.463 31.586 -13.656 1.00 44.91 N
603
+ ATOM 602 NE2 HIS B 614 -33.015 33.678 -13.472 1.00 39.16 N
604
+ ATOM 603 O HIS B 614 -29.810 28.895 -16.802 1.00 47.83 O
605
+ ATOM 604 C THR B 615 -32.222 26.419 -16.939 1.00 51.49 C
606
+ ATOM 605 CA THR B 615 -30.894 26.452 -16.186 1.00 54.13 C
607
+ ATOM 606 CB THR B 615 -30.707 25.134 -15.412 1.00 51.86 C
608
+ ATOM 607 CG2 THR B 615 -29.350 25.094 -14.716 1.00 45.73 C
609
+ ATOM 608 N THR B 615 -30.836 27.604 -15.292 1.00 51.95 N
610
+ ATOM 609 O THR B 615 -33.220 26.970 -16.473 1.00 52.61 O
611
+ ATOM 610 OG1 THR B 615 -31.741 25.013 -14.428 1.00 44.53 O
612
+ TER 611 THR B 615
613
+ END
6a87/6a87_protein_processed_fix.pdb ADDED
@@ -0,0 +1,1187 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C ALA D 1 -6.463 31.650 -23.994 1.00 0.00 C
2
+ ATOM 2 CA ALA D 1 -6.456 32.008 -25.484 1.00 0.00 C
3
+ ATOM 3 CB ALA D 1 -5.102 31.745 -26.094 1.00 0.00 C
4
+ ATOM 4 N ALA D 1 -6.845 33.444 -25.698 1.00 0.00 N
5
+ ATOM 5 O ALA D 1 -6.192 32.501 -23.146 1.00 0.00 O
6
+ ATOM 6 H1 ALA D 1 -7.584 33.481 -26.193 1.00 0.00 H
7
+ ATOM 7 H2 ALA D 1 -6.996 33.831 -24.911 1.00 0.00 H
8
+ ATOM 8 H3 ALA D 1 -6.186 33.871 -26.117 1.00 0.00 H
9
+ ATOM 9 HA ALA D 1 -7.111 31.443 -25.923 1.00 0.00 H
10
+ ATOM 10 HB1 ALA D 1 -4.858 30.817 -25.952 1.00 0.00 H
11
+ ATOM 11 HB2 ALA D 1 -5.135 31.928 -27.046 1.00 0.00 H
12
+ ATOM 12 HB3 ALA D 1 -4.442 32.320 -25.677 1.00 0.00 H
13
+ ATOM 13 C PRO D 2 -5.704 30.091 -21.401 1.00 0.00 C
14
+ ATOM 14 CA PRO D 2 -6.952 29.945 -22.261 1.00 0.00 C
15
+ ATOM 15 CB PRO D 2 -7.249 28.439 -22.364 1.00 0.00 C
16
+ ATOM 16 CD PRO D 2 -6.964 29.252 -24.579 1.00 0.00 C
17
+ ATOM 17 CG PRO D 2 -6.693 28.037 -23.718 1.00 0.00 C
18
+ ATOM 18 N PRO D 2 -6.765 30.373 -23.644 1.00 0.00 N
19
+ ATOM 19 O PRO D 2 -4.653 29.603 -21.788 1.00 0.00 O
20
+ ATOM 20 HA PRO D 2 -7.644 30.486 -21.849 1.00 0.00 H
21
+ ATOM 21 HB2 PRO D 2 -6.824 27.945 -21.646 1.00 0.00 H
22
+ ATOM 22 HB3 PRO D 2 -8.201 28.261 -22.306 1.00 0.00 H
23
+ ATOM 23 HG2 PRO D 2 -5.745 27.836 -23.671 1.00 0.00 H
24
+ ATOM 24 HG3 PRO D 2 -7.134 27.246 -24.066 1.00 0.00 H
25
+ ATOM 25 HD2 PRO D 2 -6.355 29.301 -25.333 1.00 0.00 H
26
+ ATOM 26 HD3 PRO D 2 -7.864 29.242 -24.941 1.00 0.00 H
27
+ ATOM 27 C VAL D 3 -5.280 30.424 -17.969 1.00 0.00 C
28
+ ATOM 28 CA VAL D 3 -4.791 30.890 -19.324 1.00 0.00 C
29
+ ATOM 29 CB VAL D 3 -4.259 32.330 -19.245 1.00 0.00 C
30
+ ATOM 30 CG1 VAL D 3 -3.760 32.809 -20.601 1.00 0.00 C
31
+ ATOM 31 CG2 VAL D 3 -5.292 33.294 -18.688 1.00 0.00 C
32
+ ATOM 32 N VAL D 3 -5.859 30.750 -20.250 1.00 0.00 N
33
+ ATOM 33 O VAL D 3 -6.469 30.511 -17.666 1.00 0.00 O
34
+ ATOM 34 H VAL D 3 -6.595 31.121 -20.004 1.00 0.00 H
35
+ ATOM 35 HA VAL D 3 -4.046 30.347 -19.625 1.00 0.00 H
36
+ ATOM 36 HB VAL D 3 -3.510 32.316 -18.628 1.00 0.00 H
37
+ ATOM 37 HG11 VAL D 3 -3.431 33.718 -20.522 1.00 0.00 H
38
+ ATOM 38 HG12 VAL D 3 -3.043 32.231 -20.905 1.00 0.00 H
39
+ ATOM 39 HG13 VAL D 3 -4.488 32.784 -21.241 1.00 0.00 H
40
+ ATOM 40 HG21 VAL D 3 -4.916 34.188 -18.655 1.00 0.00 H
41
+ ATOM 41 HG22 VAL D 3 -6.076 33.294 -19.259 1.00 0.00 H
42
+ ATOM 42 HG23 VAL D 3 -5.544 33.017 -17.793 1.00 0.00 H
43
+ ATOM 43 C PRO D 4 -5.091 30.422 -14.808 1.00 0.00 C
44
+ ATOM 44 CA PRO D 4 -4.722 29.355 -15.844 1.00 0.00 C
45
+ ATOM 45 CB PRO D 4 -3.475 28.580 -15.395 1.00 0.00 C
46
+ ATOM 46 CD PRO D 4 -2.889 29.990 -17.318 1.00 0.00 C
47
+ ATOM 47 CG PRO D 4 -2.356 28.931 -16.378 1.00 0.00 C
48
+ ATOM 48 N PRO D 4 -4.348 29.949 -17.117 1.00 0.00 N
49
+ ATOM 49 O PRO D 4 -4.586 31.560 -14.859 1.00 0.00 O
50
+ ATOM 50 HA PRO D 4 -5.504 28.788 -15.932 1.00 0.00 H
51
+ ATOM 51 HB2 PRO D 4 -3.226 28.824 -14.490 1.00 0.00 H
52
+ ATOM 52 HB3 PRO D 4 -3.645 27.625 -15.395 1.00 0.00 H
53
+ ATOM 53 HG2 PRO D 4 -1.576 29.258 -15.904 1.00 0.00 H
54
+ ATOM 54 HG3 PRO D 4 -2.078 28.144 -16.873 1.00 0.00 H
55
+ ATOM 55 HD2 PRO D 4 -2.527 30.865 -17.108 1.00 0.00 H
56
+ ATOM 56 HD3 PRO D 4 -2.652 29.798 -18.239 1.00 0.00 H
57
+ ATOM 57 C VAL D 5 -5.397 30.340 -11.541 1.00 0.00 C
58
+ ATOM 58 CA VAL D 5 -6.313 30.785 -12.685 1.00 0.00 C
59
+ ATOM 59 CB VAL D 5 -7.789 30.564 -12.293 1.00 0.00 C
60
+ ATOM 60 CG1 VAL D 5 -8.187 31.362 -11.056 1.00 0.00 C
61
+ ATOM 61 CG2 VAL D 5 -8.734 30.860 -13.445 1.00 0.00 C
62
+ ATOM 62 N VAL D 5 -5.963 30.016 -13.877 1.00 0.00 N
63
+ ATOM 63 O VAL D 5 -5.372 29.182 -11.228 1.00 0.00 O
64
+ ATOM 64 H VAL D 5 -6.377 29.264 -13.927 1.00 0.00 H
65
+ ATOM 65 HA VAL D 5 -6.196 31.730 -12.867 1.00 0.00 H
66
+ ATOM 66 HB VAL D 5 -7.869 29.623 -12.073 1.00 0.00 H
67
+ ATOM 67 HG11 VAL D 5 -9.119 31.193 -10.848 1.00 0.00 H
68
+ ATOM 68 HG12 VAL D 5 -7.634 31.093 -10.306 1.00 0.00 H
69
+ ATOM 69 HG13 VAL D 5 -8.061 32.308 -11.227 1.00 0.00 H
70
+ ATOM 70 HG21 VAL D 5 -9.649 30.710 -13.160 1.00 0.00 H
71
+ ATOM 71 HG22 VAL D 5 -8.629 31.784 -13.721 1.00 0.00 H
72
+ ATOM 72 HG23 VAL D 5 -8.528 30.275 -14.191 1.00 0.00 H
73
+ ATOM 73 C THR D 6 -4.643 30.964 -8.489 1.00 0.00 C
74
+ ATOM 74 CA THR D 6 -3.833 30.970 -9.785 1.00 0.00 C
75
+ ATOM 75 CB THR D 6 -2.670 31.967 -9.721 1.00 0.00 C
76
+ ATOM 76 CG2 THR D 6 -1.758 31.813 -10.913 1.00 0.00 C
77
+ ATOM 77 N THR D 6 -4.698 31.274 -10.900 1.00 0.00 N
78
+ ATOM 78 O THR D 6 -4.458 30.107 -7.643 1.00 0.00 O
79
+ ATOM 79 OG1 THR D 6 -3.157 33.311 -9.707 1.00 0.00 O
80
+ ATOM 80 H THR D 6 -4.718 32.108 -11.109 1.00 0.00 H
81
+ ATOM 81 HA THR D 6 -3.451 30.087 -9.906 1.00 0.00 H
82
+ ATOM 82 HB THR D 6 -2.179 31.781 -8.905 1.00 0.00 H
83
+ ATOM 83 HG1 THR D 6 -2.515 33.843 -9.808 1.00 0.00 H
84
+ ATOM 84 HG21 THR D 6 -1.032 32.453 -10.850 1.00 0.00 H
85
+ ATOM 85 HG22 THR D 6 -1.395 30.914 -10.929 1.00 0.00 H
86
+ ATOM 86 HG23 THR D 6 -2.260 31.973 -11.727 1.00 0.00 H
87
+ ATOM 87 C LYS D 7 -7.702 32.596 -7.486 1.00 0.00 C
88
+ ATOM 88 CA LYS D 7 -6.291 32.125 -7.140 1.00 0.00 C
89
+ ATOM 89 CB LYS D 7 -5.614 33.126 -6.201 1.00 0.00 C
90
+ ATOM 90 CD LYS D 7 -4.526 33.315 -3.907 1.00 0.00 C
91
+ ATOM 91 CE LYS D 7 -3.681 32.654 -2.828 1.00 0.00 C
92
+ ATOM 92 CG LYS D 7 -4.661 32.507 -5.188 1.00 0.00 C
93
+ ATOM 93 N LYS D 7 -5.517 31.958 -8.340 1.00 0.00 N
94
+ ATOM 94 NZ LYS D 7 -2.563 31.834 -3.375 1.00 0.00 N
95
+ ATOM 95 O LYS D 7 -7.903 33.392 -8.402 1.00 0.00 O
96
+ ATOM 96 H LYS D 7 -5.670 32.552 -8.943 1.00 0.00 H
97
+ ATOM 97 HA LYS D 7 -6.348 31.269 -6.687 1.00 0.00 H
98
+ ATOM 98 HB2 LYS D 7 -5.124 33.771 -6.735 1.00 0.00 H
99
+ ATOM 99 HB3 LYS D 7 -6.300 33.617 -5.723 1.00 0.00 H
100
+ ATOM 100 HG2 LYS D 7 -4.970 31.614 -4.967 1.00 0.00 H
101
+ ATOM 101 HG3 LYS D 7 -3.786 32.411 -5.595 1.00 0.00 H
102
+ ATOM 102 HD2 LYS D 7 -4.138 34.178 -4.122 1.00 0.00 H
103
+ ATOM 103 HD3 LYS D 7 -5.412 33.483 -3.550 1.00 0.00 H
104
+ ATOM 104 HE2 LYS D 7 -3.317 33.339 -2.246 1.00 0.00 H
105
+ ATOM 105 HE3 LYS D 7 -4.250 32.090 -2.281 1.00 0.00 H
106
+ ATOM 106 HZ1 LYS D 7 -2.012 31.604 -2.715 1.00 0.00 H
107
+ ATOM 107 HZ2 LYS D 7 -2.892 31.100 -3.756 1.00 0.00 H
108
+ ATOM 108 HZ3 LYS D 7 -2.116 32.308 -3.982 1.00 0.00 H
109
+ ATOM 109 C LEU D 8 -10.509 32.990 -5.390 1.00 0.00 C
110
+ ATOM 110 CA LEU D 8 -10.077 32.441 -6.758 1.00 0.00 C
111
+ ATOM 111 CB LEU D 8 -10.873 31.185 -7.130 1.00 0.00 C
112
+ ATOM 112 CD1 LEU D 8 -12.177 32.027 -9.113 1.00 0.00 C
113
+ ATOM 113 CD2 LEU D 8 -13.059 30.125 -7.778 1.00 0.00 C
114
+ ATOM 114 CG LEU D 8 -12.264 31.423 -7.722 1.00 0.00 C
115
+ ATOM 115 N LEU D 8 -8.657 32.093 -6.699 1.00 0.00 N
116
+ ATOM 116 O LEU D 8 -10.110 32.479 -4.353 1.00 0.00 O
117
+ ATOM 117 H LEU D 8 -8.485 31.513 -6.088 1.00 0.00 H
118
+ ATOM 118 HA LEU D 8 -10.242 33.122 -7.428 1.00 0.00 H
119
+ ATOM 119 HB2 LEU D 8 -10.353 30.671 -7.768 1.00 0.00 H
120
+ ATOM 120 HB3 LEU D 8 -10.969 30.637 -6.335 1.00 0.00 H
121
+ ATOM 121 HG LEU D 8 -12.721 32.050 -7.140 1.00 0.00 H
122
+ ATOM 122 HD11 LEU D 8 -13.071 32.166 -9.462 1.00 0.00 H
123
+ ATOM 123 HD12 LEU D 8 -11.712 32.877 -9.068 1.00 0.00 H
124
+ ATOM 124 HD13 LEU D 8 -11.692 31.424 -9.698 1.00 0.00 H
125
+ ATOM 125 HD21 LEU D 8 -13.936 30.298 -8.156 1.00 0.00 H
126
+ ATOM 126 HD22 LEU D 8 -12.590 29.482 -8.332 1.00 0.00 H
127
+ ATOM 127 HD23 LEU D 8 -13.158 29.767 -6.882 1.00 0.00 H
128
+ ATOM 128 C VAL D 9 -13.286 35.058 -4.580 1.00 0.00 C
129
+ ATOM 129 CA VAL D 9 -11.869 34.630 -4.221 1.00 0.00 C
130
+ ATOM 130 CB VAL D 9 -11.030 35.806 -3.696 1.00 0.00 C
131
+ ATOM 131 CG1 VAL D 9 -9.671 35.331 -3.185 1.00 0.00 C
132
+ ATOM 132 CG2 VAL D 9 -10.834 36.897 -4.732 1.00 0.00 C
133
+ ATOM 133 N VAL D 9 -11.293 34.068 -5.405 1.00 0.00 N
134
+ ATOM 134 O VAL D 9 -13.568 35.280 -5.756 1.00 0.00 O
135
+ ATOM 135 H VAL D 9 -11.500 34.490 -6.125 1.00 0.00 H
136
+ ATOM 136 HA VAL D 9 -11.887 33.979 -3.502 1.00 0.00 H
137
+ ATOM 137 HB VAL D 9 -11.534 36.187 -2.960 1.00 0.00 H
138
+ ATOM 138 HG11 VAL D 9 -9.163 36.091 -2.860 1.00 0.00 H
139
+ ATOM 139 HG12 VAL D 9 -9.800 34.697 -2.462 1.00 0.00 H
140
+ ATOM 140 HG13 VAL D 9 -9.185 34.903 -3.907 1.00 0.00 H
141
+ ATOM 141 HG21 VAL D 9 -10.300 37.612 -4.352 1.00 0.00 H
142
+ ATOM 142 HG22 VAL D 9 -10.378 36.531 -5.506 1.00 0.00 H
143
+ ATOM 143 HG23 VAL D 9 -11.698 37.247 -5.001 1.00 0.00 H
144
+ ATOM 144 C CYS D 10 -15.793 36.663 -2.598 1.00 0.00 C
145
+ ATOM 145 CA CYS D 10 -15.508 35.649 -3.708 1.00 0.00 C
146
+ ATOM 146 CB CYS D 10 -16.541 34.535 -3.691 1.00 0.00 C
147
+ ATOM 147 N CYS D 10 -14.159 35.129 -3.569 1.00 0.00 N
148
+ ATOM 148 O CYS D 10 -15.208 36.619 -1.516 1.00 0.00 O
149
+ ATOM 149 SG CYS D 10 -16.439 33.478 -5.163 1.00 0.00 S
150
+ ATOM 150 H CYS D 10 -13.972 34.869 -2.771 1.00 0.00 H
151
+ ATOM 151 HA CYS D 10 -15.573 36.092 -4.568 1.00 0.00 H
152
+ ATOM 152 HB2 CYS D 10 -16.416 33.993 -2.897 1.00 0.00 H
153
+ ATOM 153 HB3 CYS D 10 -17.429 34.921 -3.634 1.00 0.00 H
154
+ ATOM 154 HG CYS D 10 -15.690 33.972 -5.960 1.00 0.00 H
155
+ ATOM 155 C ASP D 11 -18.455 38.928 -1.980 1.00 0.00 C
156
+ ATOM 156 CA ASP D 11 -16.934 38.774 -2.118 1.00 0.00 C
157
+ ATOM 157 CB ASP D 11 -16.200 39.952 -2.773 1.00 0.00 C
158
+ ATOM 158 CG ASP D 11 -16.141 41.245 -1.969 1.00 0.00 C
159
+ ATOM 159 N ASP D 11 -16.693 37.600 -2.910 1.00 0.00 N
160
+ ATOM 160 O ASP D 11 -19.163 39.177 -2.968 1.00 0.00 O
161
+ ATOM 161 OD1 ASP D 11 -17.096 41.520 -1.182 1.00 0.00 O
162
+ ATOM 162 OD2 ASP D 11 -15.155 41.996 -2.156 1.00 0.00 O
163
+ ATOM 163 H ASP D 11 -17.188 37.555 -3.612 1.00 0.00 H
164
+ ATOM 164 HA ASP D 11 -16.583 38.723 -1.215 1.00 0.00 H
165
+ ATOM 165 HB2 ASP D 11 -15.292 39.674 -2.968 1.00 0.00 H
166
+ ATOM 166 HB3 ASP D 11 -16.627 40.142 -3.623 1.00 0.00 H
167
+ ATOM 167 C GLY D 12 -20.926 40.186 -0.291 1.00 0.00 C
168
+ ATOM 168 CA GLY D 12 -20.367 38.777 -0.448 1.00 0.00 C
169
+ ATOM 169 N GLY D 12 -18.937 38.779 -0.747 1.00 0.00 N
170
+ ATOM 170 O GLY D 12 -22.120 40.360 -0.067 1.00 0.00 O
171
+ ATOM 171 H GLY D 12 -18.438 38.675 -0.055 1.00 0.00 H
172
+ ATOM 172 HA2 GLY D 12 -20.843 38.319 -1.158 1.00 0.00 H
173
+ ATOM 173 HA3 GLY D 12 -20.524 38.276 0.368 1.00 0.00 H
174
+ ATOM 174 C ASP D 13 -20.541 43.073 -1.925 1.00 0.00 C
175
+ ATOM 175 CA ASP D 13 -20.461 42.585 -0.475 1.00 0.00 C
176
+ ATOM 176 CB ASP D 13 -19.522 43.500 0.315 1.00 0.00 C
177
+ ATOM 177 CG ASP D 13 -19.633 43.336 1.821 1.00 0.00 C
178
+ ATOM 178 N ASP D 13 -20.054 41.193 -0.426 1.00 0.00 N
179
+ ATOM 179 O ASP D 13 -21.438 43.820 -2.250 1.00 0.00 O
180
+ ATOM 180 OD1 ASP D 13 -20.775 43.284 2.340 1.00 0.00 O
181
+ ATOM 181 OD2 ASP D 13 -18.566 43.252 2.465 1.00 0.00 O
182
+ ATOM 182 H ASP D 13 -19.204 41.077 -0.492 1.00 0.00 H
183
+ ATOM 183 HA ASP D 13 -21.338 42.630 -0.062 1.00 0.00 H
184
+ ATOM 184 HB2 ASP D 13 -18.607 43.322 0.045 1.00 0.00 H
185
+ ATOM 185 HB3 ASP D 13 -19.712 44.423 0.083 1.00 0.00 H
186
+ ATOM 186 C THR D 14 -20.484 42.101 -5.048 1.00 0.00 C
187
+ ATOM 187 CA THR D 14 -19.683 43.107 -4.209 1.00 0.00 C
188
+ ATOM 188 CB THR D 14 -18.289 43.209 -4.813 1.00 0.00 C
189
+ ATOM 189 CG2 THR D 14 -17.460 44.247 -4.094 1.00 0.00 C
190
+ ATOM 190 N THR D 14 -19.593 42.694 -2.784 1.00 0.00 N
191
+ ATOM 191 O THR D 14 -20.899 42.402 -6.133 1.00 0.00 O
192
+ ATOM 192 OG1 THR D 14 -17.736 41.894 -4.719 1.00 0.00 O
193
+ ATOM 193 H THR D 14 -18.908 42.214 -2.582 1.00 0.00 H
194
+ ATOM 194 HA THR D 14 -20.134 43.966 -4.224 1.00 0.00 H
195
+ ATOM 195 HB THR D 14 -18.309 43.504 -5.737 1.00 0.00 H
196
+ ATOM 196 HG1 THR D 14 -16.956 41.895 -5.030 1.00 0.00 H
197
+ ATOM 197 HG21 THR D 14 -16.579 44.293 -4.496 1.00 0.00 H
198
+ ATOM 198 HG22 THR D 14 -17.893 45.112 -4.164 1.00 0.00 H
199
+ ATOM 199 HG23 THR D 14 -17.376 44.003 -3.159 1.00 0.00 H
200
+ ATOM 200 C TYR D 15 -20.450 39.505 -6.479 1.00 0.00 C
201
+ ATOM 201 CA TYR D 15 -21.280 39.794 -5.242 1.00 0.00 C
202
+ ATOM 202 CB TYR D 15 -22.755 40.093 -5.522 1.00 0.00 C
203
+ ATOM 203 CD1 TYR D 15 -23.618 41.195 -3.414 1.00 0.00 C
204
+ ATOM 204 CD2 TYR D 15 -24.081 38.895 -3.777 1.00 0.00 C
205
+ ATOM 205 CE1 TYR D 15 -24.296 41.147 -2.202 1.00 0.00 C
206
+ ATOM 206 CE2 TYR D 15 -24.745 38.826 -2.563 1.00 0.00 C
207
+ ATOM 207 CG TYR D 15 -23.530 40.075 -4.235 1.00 0.00 C
208
+ ATOM 208 CZ TYR D 15 -24.863 39.955 -1.782 1.00 0.00 C
209
+ ATOM 209 N TYR D 15 -20.653 40.889 -4.522 1.00 0.00 N
210
+ ATOM 210 O TYR D 15 -20.980 39.288 -7.547 1.00 0.00 O
211
+ ATOM 211 OH TYR D 15 -25.503 39.825 -0.594 1.00 0.00 O
212
+ ATOM 212 H TYR D 15 -20.402 40.681 -3.726 1.00 0.00 H
213
+ ATOM 213 HA TYR D 15 -21.296 38.985 -4.706 1.00 0.00 H
214
+ ATOM 214 HB2 TYR D 15 -22.843 40.959 -5.950 1.00 0.00 H
215
+ ATOM 215 HB3 TYR D 15 -23.116 39.435 -6.136 1.00 0.00 H
216
+ ATOM 216 HD1 TYR D 15 -23.216 41.990 -3.681 1.00 0.00 H
217
+ ATOM 217 HD2 TYR D 15 -24.005 38.127 -4.296 1.00 0.00 H
218
+ ATOM 218 HE1 TYR D 15 -24.369 41.911 -1.676 1.00 0.00 H
219
+ ATOM 219 HE2 TYR D 15 -25.110 38.020 -2.276 1.00 0.00 H
220
+ ATOM 220 HH TYR D 15 -25.828 39.053 -0.534 1.00 0.00 H
221
+ ATOM 221 C LYS D 16 -17.274 38.083 -6.992 1.00 0.00 C
222
+ ATOM 222 CA LYS D 16 -18.238 39.215 -7.366 1.00 0.00 C
223
+ ATOM 223 CB LYS D 16 -17.437 40.454 -7.756 1.00 0.00 C
224
+ ATOM 224 CD LYS D 16 -18.828 41.361 -9.724 1.00 0.00 C
225
+ ATOM 225 CE LYS D 16 -19.496 42.602 -10.297 1.00 0.00 C
226
+ ATOM 226 CG LYS D 16 -18.250 41.596 -8.350 1.00 0.00 C
227
+ ATOM 227 N LYS D 16 -19.133 39.492 -6.287 1.00 0.00 N
228
+ ATOM 228 NZ LYS D 16 -20.074 42.373 -11.644 1.00 0.00 N
229
+ ATOM 229 O LYS D 16 -16.734 38.006 -5.886 1.00 0.00 O
230
+ ATOM 230 H LYS D 16 -18.751 39.643 -5.531 1.00 0.00 H
231
+ ATOM 231 HA LYS D 16 -18.776 38.942 -8.125 1.00 0.00 H
232
+ ATOM 232 HB2 LYS D 16 -16.974 40.782 -6.969 1.00 0.00 H
233
+ ATOM 233 HB3 LYS D 16 -16.758 40.193 -8.397 1.00 0.00 H
234
+ ATOM 234 HG2 LYS D 16 -18.979 41.798 -7.743 1.00 0.00 H
235
+ ATOM 235 HG3 LYS D 16 -17.686 42.384 -8.388 1.00 0.00 H
236
+ ATOM 236 HD2 LYS D 16 -18.122 41.072 -10.323 1.00 0.00 H
237
+ ATOM 237 HD3 LYS D 16 -19.476 40.640 -9.680 1.00 0.00 H
238
+ ATOM 238 HE2 LYS D 16 -20.197 42.894 -9.694 1.00 0.00 H
239
+ ATOM 239 HE3 LYS D 16 -18.846 43.321 -10.346 1.00 0.00 H
240
+ ATOM 240 HZ1 LYS D 16 -20.715 42.971 -11.798 1.00 0.00 H
241
+ ATOM 241 HZ2 LYS D 16 -19.436 42.458 -12.259 1.00 0.00 H
242
+ ATOM 242 HZ3 LYS D 16 -20.418 41.553 -11.684 1.00 0.00 H
243
+ ATOM 243 C CYS D 17 -14.842 36.746 -8.799 1.00 0.00 C
244
+ ATOM 244 CA CYS D 17 -15.998 36.242 -7.929 1.00 0.00 C
245
+ ATOM 245 CB CYS D 17 -16.474 34.878 -8.404 1.00 0.00 C
246
+ ATOM 246 N CYS D 17 -17.073 37.201 -7.968 1.00 0.00 N
247
+ ATOM 247 O CYS D 17 -15.008 37.024 -9.977 1.00 0.00 O
248
+ ATOM 248 SG CYS D 17 -15.217 33.592 -8.210 1.00 0.00 S
249
+ ATOM 249 H CYS D 17 -17.565 37.149 -8.672 1.00 0.00 H
250
+ ATOM 250 HA CYS D 17 -15.691 36.144 -7.014 1.00 0.00 H
251
+ ATOM 251 HB2 CYS D 17 -17.268 34.626 -7.907 1.00 0.00 H
252
+ ATOM 252 HB3 CYS D 17 -16.730 34.936 -9.338 1.00 0.00 H
253
+ ATOM 253 HG CYS D 17 -15.183 32.912 -9.198 1.00 0.00 H
254
+ ATOM 254 C THR D 18 -11.520 36.121 -9.017 1.00 0.00 C
255
+ ATOM 255 CA THR D 18 -12.470 37.319 -8.860 1.00 0.00 C
256
+ ATOM 256 CB THR D 18 -11.831 38.479 -8.092 1.00 0.00 C
257
+ ATOM 257 CG2 THR D 18 -10.520 38.905 -8.701 1.00 0.00 C
258
+ ATOM 258 N THR D 18 -13.667 36.878 -8.187 1.00 0.00 N
259
+ ATOM 259 O THR D 18 -11.250 35.389 -8.056 1.00 0.00 O
260
+ ATOM 260 OG1 THR D 18 -12.710 39.606 -8.062 1.00 0.00 O
261
+ ATOM 261 H THR D 18 -13.550 36.708 -7.352 1.00 0.00 H
262
+ ATOM 262 HA THR D 18 -12.680 37.654 -9.746 1.00 0.00 H
263
+ ATOM 263 HB THR D 18 -11.666 38.160 -7.191 1.00 0.00 H
264
+ ATOM 264 HG1 THR D 18 -12.299 40.274 -7.761 1.00 0.00 H
265
+ ATOM 265 HG21 THR D 18 -10.148 39.639 -8.188 1.00 0.00 H
266
+ ATOM 266 HG22 THR D 18 -9.901 38.158 -8.692 1.00 0.00 H
267
+ ATOM 267 HG23 THR D 18 -10.666 39.192 -9.616 1.00 0.00 H
268
+ ATOM 268 C ALA D 19 -8.723 35.595 -11.068 1.00 0.00 C
269
+ ATOM 269 CA ALA D 19 -10.025 34.932 -10.584 1.00 0.00 C
270
+ ATOM 270 CB ALA D 19 -10.626 34.062 -11.637 1.00 0.00 C
271
+ ATOM 271 N ALA D 19 -11.004 35.949 -10.237 1.00 0.00 N
272
+ ATOM 272 O ALA D 19 -8.688 36.255 -12.097 1.00 0.00 O
273
+ ATOM 273 H ALA D 19 -11.227 36.443 -10.905 1.00 0.00 H
274
+ ATOM 274 HA ALA D 19 -9.797 34.391 -9.812 1.00 0.00 H
275
+ ATOM 275 HB1 ALA D 19 -9.992 33.372 -11.888 1.00 0.00 H
276
+ ATOM 276 HB2 ALA D 19 -11.433 33.649 -11.293 1.00 0.00 H
277
+ ATOM 277 HB3 ALA D 19 -10.844 34.599 -12.415 1.00 0.00 H
278
+ ATOM 278 C TYR D 20 -5.728 35.018 -11.701 1.00 0.00 C
279
+ ATOM 279 CA TYR D 20 -6.337 35.955 -10.658 1.00 0.00 C
280
+ ATOM 280 CB TYR D 20 -5.466 36.096 -9.419 1.00 0.00 C
281
+ ATOM 281 CD1 TYR D 20 -5.837 38.470 -8.700 1.00 0.00 C
282
+ ATOM 282 CD2 TYR D 20 -6.839 36.748 -7.416 1.00 0.00 C
283
+ ATOM 283 CE1 TYR D 20 -6.374 39.430 -7.854 1.00 0.00 C
284
+ ATOM 284 CE2 TYR D 20 -7.375 37.691 -6.559 1.00 0.00 C
285
+ ATOM 285 CG TYR D 20 -6.032 37.120 -8.475 1.00 0.00 C
286
+ ATOM 286 CZ TYR D 20 -7.150 39.035 -6.780 1.00 0.00 C
287
+ ATOM 287 N TYR D 20 -7.654 35.446 -10.284 1.00 0.00 N
288
+ ATOM 288 O TYR D 20 -5.869 33.777 -11.599 1.00 0.00 O
289
+ ATOM 289 OH TYR D 20 -7.684 39.974 -5.942 1.00 0.00 O
290
+ ATOM 290 H TYR D 20 -7.674 35.048 -9.522 1.00 0.00 H
291
+ ATOM 291 HA TYR D 20 -6.408 36.838 -11.053 1.00 0.00 H
292
+ ATOM 292 HB2 TYR D 20 -5.397 35.240 -8.969 1.00 0.00 H
293
+ ATOM 293 HB3 TYR D 20 -4.567 36.353 -9.679 1.00 0.00 H
294
+ ATOM 294 HD1 TYR D 20 -5.335 38.741 -9.434 1.00 0.00 H
295
+ ATOM 295 HD2 TYR D 20 -7.025 35.847 -7.278 1.00 0.00 H
296
+ ATOM 296 HE1 TYR D 20 -6.213 40.333 -8.008 1.00 0.00 H
297
+ ATOM 297 HE2 TYR D 20 -7.888 37.420 -5.832 1.00 0.00 H
298
+ ATOM 298 HH TYR D 20 -7.351 40.726 -6.114 1.00 0.00 H
299
+ ATOM 299 C LEU D 21 -3.195 34.779 -13.876 1.00 0.00 C
300
+ ATOM 300 CA LEU D 21 -4.714 34.828 -13.876 1.00 0.00 C
301
+ ATOM 301 CB LEU D 21 -5.241 35.446 -15.169 1.00 0.00 C
302
+ ATOM 302 CD1 LEU D 21 -7.196 36.198 -16.537 1.00 0.00 C
303
+ ATOM 303 CD2 LEU D 21 -7.541 34.494 -14.765 1.00 0.00 C
304
+ ATOM 304 CG LEU D 21 -6.740 35.728 -15.172 1.00 0.00 C
305
+ ATOM 305 N LEU D 21 -5.152 35.613 -12.745 1.00 0.00 N
306
+ ATOM 306 O LEU D 21 -2.543 35.714 -13.477 1.00 0.00 O
307
+ ATOM 307 H LEU D 21 -5.011 36.459 -12.811 1.00 0.00 H
308
+ ATOM 308 HA LEU D 21 -5.061 33.924 -13.813 1.00 0.00 H
309
+ ATOM 309 HB2 LEU D 21 -4.767 36.276 -15.334 1.00 0.00 H
310
+ ATOM 310 HB3 LEU D 21 -5.034 34.850 -15.906 1.00 0.00 H
311
+ ATOM 311 HG LEU D 21 -6.901 36.429 -14.522 1.00 0.00 H
312
+ ATOM 312 HD11 LEU D 21 -8.150 36.371 -16.518 1.00 0.00 H
313
+ ATOM 313 HD12 LEU D 21 -6.724 37.012 -16.773 1.00 0.00 H
314
+ ATOM 314 HD13 LEU D 21 -7.006 35.512 -17.196 1.00 0.00 H
315
+ ATOM 315 HD21 LEU D 21 -8.488 34.704 -14.776 1.00 0.00 H
316
+ ATOM 316 HD22 LEU D 21 -7.363 33.772 -15.388 1.00 0.00 H
317
+ ATOM 317 HD23 LEU D 21 -7.282 34.220 -13.871 1.00 0.00 H
318
+ ATOM 318 C ASP D 22 -0.972 33.907 -16.069 1.00 0.00 C
319
+ ATOM 319 CA ASP D 22 -1.262 33.521 -14.611 1.00 0.00 C
320
+ ATOM 320 CB ASP D 22 -0.831 32.093 -14.315 1.00 0.00 C
321
+ ATOM 321 CG ASP D 22 0.646 31.871 -14.538 1.00 0.00 C
322
+ ATOM 322 N ASP D 22 -2.664 33.661 -14.362 1.00 0.00 N
323
+ ATOM 323 O ASP D 22 -1.064 33.086 -16.979 1.00 0.00 O
324
+ ATOM 324 OD1 ASP D 22 1.412 32.828 -14.284 1.00 0.00 O
325
+ ATOM 325 OD2 ASP D 22 0.991 30.769 -15.007 1.00 0.00 O
326
+ ATOM 326 H ASP D 22 -3.125 32.961 -14.554 1.00 0.00 H
327
+ ATOM 327 HA ASP D 22 -0.755 34.110 -14.031 1.00 0.00 H
328
+ ATOM 328 HB2 ASP D 22 -1.051 31.877 -13.395 1.00 0.00 H
329
+ ATOM 329 HB3 ASP D 22 -1.334 31.484 -14.878 1.00 0.00 H
330
+ ATOM 330 C TYR D 23 0.220 37.070 -17.609 1.00 0.00 C
331
+ ATOM 331 CA TYR D 23 -0.487 35.704 -17.631 1.00 0.00 C
332
+ ATOM 332 CB TYR D 23 -1.854 35.809 -18.314 1.00 0.00 C
333
+ ATOM 333 CD1 TYR D 23 -1.356 35.294 -20.730 1.00 0.00 C
334
+ ATOM 334 CD2 TYR D 23 -2.123 37.463 -20.196 1.00 0.00 C
335
+ ATOM 335 CE1 TYR D 23 -1.247 35.639 -22.066 1.00 0.00 C
336
+ ATOM 336 CE2 TYR D 23 -2.025 37.833 -21.530 1.00 0.00 C
337
+ ATOM 337 CG TYR D 23 -1.785 36.195 -19.772 1.00 0.00 C
338
+ ATOM 338 CZ TYR D 23 -1.597 36.913 -22.471 1.00 0.00 C
339
+ ATOM 339 N TYR D 23 -0.625 35.178 -16.289 1.00 0.00 N
340
+ ATOM 340 O TYR D 23 0.030 37.914 -16.714 1.00 0.00 O
341
+ ATOM 341 OH TYR D 23 -1.549 37.242 -23.796 1.00 0.00 O
342
+ ATOM 342 H TYR D 23 -0.466 35.748 -15.665 1.00 0.00 H
343
+ ATOM 343 HA TYR D 23 0.060 35.089 -18.144 1.00 0.00 H
344
+ ATOM 344 HB2 TYR D 23 -2.310 34.957 -18.236 1.00 0.00 H
345
+ ATOM 345 HB3 TYR D 23 -2.392 36.463 -17.841 1.00 0.00 H
346
+ ATOM 346 HD1 TYR D 23 -1.134 34.430 -20.468 1.00 0.00 H
347
+ ATOM 347 HD2 TYR D 23 -2.424 38.085 -19.573 1.00 0.00 H
348
+ ATOM 348 HE1 TYR D 23 -0.940 35.018 -22.687 1.00 0.00 H
349
+ ATOM 349 HE2 TYR D 23 -2.247 38.698 -21.791 1.00 0.00 H
350
+ ATOM 350 HH TYR D 23 -1.105 36.663 -24.213 1.00 0.00 H
351
+ ATOM 351 C GLY D 24 2.327 38.998 -17.595 1.00 0.00 C
352
+ ATOM 352 CA GLY D 24 1.681 38.515 -18.869 1.00 0.00 C
353
+ ATOM 353 N GLY D 24 1.026 37.281 -18.647 1.00 0.00 N
354
+ ATOM 354 O GLY D 24 3.108 38.288 -16.934 1.00 0.00 O
355
+ ATOM 355 H GLY D 24 1.197 36.684 -19.242 1.00 0.00 H
356
+ ATOM 356 HA2 GLY D 24 2.353 38.412 -19.561 1.00 0.00 H
357
+ ATOM 357 HA3 GLY D 24 1.044 39.174 -19.187 1.00 0.00 H
358
+ ATOM 358 C ASP D 25 2.016 40.731 -14.805 1.00 0.00 C
359
+ ATOM 359 CA ASP D 25 2.600 40.969 -16.207 1.00 0.00 C
360
+ ATOM 360 CB ASP D 25 2.575 42.432 -16.635 1.00 0.00 C
361
+ ATOM 361 CG ASP D 25 1.214 43.105 -16.554 1.00 0.00 C
362
+ ATOM 362 N ASP D 25 1.915 40.195 -17.208 1.00 0.00 N
363
+ ATOM 363 O ASP D 25 2.346 41.484 -13.874 1.00 0.00 O
364
+ ATOM 364 OD1 ASP D 25 0.208 42.390 -16.275 1.00 0.00 O
365
+ ATOM 365 OD2 ASP D 25 1.195 44.354 -16.724 1.00 0.00 O
366
+ ATOM 366 H ASP D 25 1.217 40.581 -17.529 1.00 0.00 H
367
+ ATOM 367 HA ASP D 25 3.525 40.686 -16.139 1.00 0.00 H
368
+ ATOM 368 HB2 ASP D 25 3.199 42.927 -16.081 1.00 0.00 H
369
+ ATOM 369 HB3 ASP D 25 2.897 42.493 -17.548 1.00 0.00 H
370
+ ATOM 370 C GLY D 26 -0.474 40.214 -12.828 1.00 0.00 C
371
+ ATOM 371 CA GLY D 26 0.669 39.339 -13.327 1.00 0.00 C
372
+ ATOM 372 N GLY D 26 1.164 39.708 -14.646 1.00 0.00 N
373
+ ATOM 373 O GLY D 26 -0.941 40.029 -11.711 1.00 0.00 O
374
+ ATOM 374 H GLY D 26 0.866 39.222 -15.290 1.00 0.00 H
375
+ ATOM 375 HA2 GLY D 26 0.372 38.416 -13.350 1.00 0.00 H
376
+ ATOM 376 HA3 GLY D 26 1.401 39.386 -12.692 1.00 0.00 H
377
+ ATOM 377 C LYS D 27 -3.327 41.758 -14.043 1.00 0.00 C
378
+ ATOM 378 CA LYS D 27 -2.029 42.025 -13.274 1.00 0.00 C
379
+ ATOM 379 CB LYS D 27 -1.548 43.450 -13.508 1.00 0.00 C
380
+ ATOM 380 CD LYS D 27 -0.154 45.137 -12.272 1.00 0.00 C
381
+ ATOM 381 CE LYS D 27 0.076 46.176 -13.332 1.00 0.00 C
382
+ ATOM 382 CG LYS D 27 -0.225 43.749 -12.831 1.00 0.00 C
383
+ ATOM 383 N LYS D 27 -0.965 41.127 -13.667 1.00 0.00 N
384
+ ATOM 384 NZ LYS D 27 1.457 46.688 -13.229 1.00 0.00 N
385
+ ATOM 385 O LYS D 27 -4.160 42.652 -14.160 1.00 0.00 O
386
+ ATOM 386 H LYS D 27 -0.687 41.237 -14.474 1.00 0.00 H
387
+ ATOM 387 HA LYS D 27 -2.235 41.882 -12.337 1.00 0.00 H
388
+ ATOM 388 HB2 LYS D 27 -1.459 43.603 -14.462 1.00 0.00 H
389
+ ATOM 389 HB3 LYS D 27 -2.219 44.070 -13.182 1.00 0.00 H
390
+ ATOM 390 HG2 LYS D 27 -0.082 43.110 -12.116 1.00 0.00 H
391
+ ATOM 391 HG3 LYS D 27 0.495 43.626 -13.470 1.00 0.00 H
392
+ ATOM 392 HD2 LYS D 27 -0.980 45.336 -11.803 1.00 0.00 H
393
+ ATOM 393 HD3 LYS D 27 0.561 45.183 -11.619 1.00 0.00 H
394
+ ATOM 394 HE2 LYS D 27 -0.073 45.794 -14.211 1.00 0.00 H
395
+ ATOM 395 HE3 LYS D 27 -0.557 46.903 -13.228 1.00 0.00 H
396
+ ATOM 396 HZ1 LYS D 27 1.858 46.623 -14.021 1.00 0.00 H
397
+ ATOM 397 HZ2 LYS D 27 1.439 47.541 -12.975 1.00 0.00 H
398
+ ATOM 398 HZ3 LYS D 27 1.907 46.209 -12.629 1.00 0.00 H
399
+ ATOM 399 C TRP D 28 -5.628 39.399 -14.379 1.00 0.00 C
400
+ ATOM 400 CA TRP D 28 -4.661 40.143 -15.307 1.00 0.00 C
401
+ ATOM 401 CB TRP D 28 -4.276 39.276 -16.497 1.00 0.00 C
402
+ ATOM 402 CD1 TRP D 28 -2.260 40.305 -17.712 1.00 0.00 C
403
+ ATOM 403 CD2 TRP D 28 -4.263 40.844 -18.553 1.00 0.00 C
404
+ ATOM 404 CE2 TRP D 28 -3.256 41.498 -19.299 1.00 0.00 C
405
+ ATOM 405 CE3 TRP D 28 -5.606 41.029 -18.884 1.00 0.00 C
406
+ ATOM 406 CG TRP D 28 -3.597 40.083 -17.547 1.00 0.00 C
407
+ ATOM 407 CH2 TRP D 28 -4.896 42.481 -20.678 1.00 0.00 C
408
+ ATOM 408 CZ2 TRP D 28 -3.560 42.330 -20.371 1.00 0.00 C
409
+ ATOM 409 CZ3 TRP D 28 -5.908 41.834 -19.956 1.00 0.00 C
410
+ ATOM 410 N TRP D 28 -3.475 40.542 -14.576 1.00 0.00 N
411
+ ATOM 411 NE1 TRP D 28 -2.045 41.125 -18.784 1.00 0.00 N
412
+ ATOM 412 O TRP D 28 -5.244 38.527 -13.547 1.00 0.00 O
413
+ ATOM 413 H TRP D 28 -2.879 39.925 -14.518 1.00 0.00 H
414
+ ATOM 414 HA TRP D 28 -5.109 40.936 -15.640 1.00 0.00 H
415
+ ATOM 415 HB2 TRP D 28 -3.690 38.561 -16.204 1.00 0.00 H
416
+ ATOM 416 HB3 TRP D 28 -5.069 38.859 -16.868 1.00 0.00 H
417
+ ATOM 417 HD1 TRP D 28 -1.591 39.949 -17.172 1.00 0.00 H
418
+ ATOM 418 HE1 TRP D 28 -1.276 41.366 -19.085 1.00 0.00 H
419
+ ATOM 419 HE3 TRP D 28 -6.279 40.618 -18.392 1.00 0.00 H
420
+ ATOM 420 HZ2 TRP D 28 -2.896 42.763 -20.857 1.00 0.00 H
421
+ ATOM 421 HZ3 TRP D 28 -6.796 41.951 -20.206 1.00 0.00 H
422
+ ATOM 422 HH2 TRP D 28 -5.134 43.031 -21.389 1.00 0.00 H
423
+ ATOM 423 C VAL D 29 -9.198 39.066 -14.411 1.00 0.00 C
424
+ ATOM 424 CA VAL D 29 -7.930 39.341 -13.607 1.00 0.00 C
425
+ ATOM 425 CB VAL D 29 -8.171 40.426 -12.533 1.00 0.00 C
426
+ ATOM 426 CG1 VAL D 29 -9.304 40.038 -11.616 1.00 0.00 C
427
+ ATOM 427 CG2 VAL D 29 -6.922 40.744 -11.715 1.00 0.00 C
428
+ ATOM 428 N VAL D 29 -6.897 39.736 -14.541 1.00 0.00 N
429
+ ATOM 429 O VAL D 29 -9.477 39.749 -15.389 1.00 0.00 O
430
+ ATOM 430 H VAL D 29 -7.184 40.205 -15.203 1.00 0.00 H
431
+ ATOM 431 HA VAL D 29 -7.656 38.543 -13.128 1.00 0.00 H
432
+ ATOM 432 HB VAL D 29 -8.411 41.233 -13.015 1.00 0.00 H
433
+ ATOM 433 HG11 VAL D 29 -9.436 40.733 -10.952 1.00 0.00 H
434
+ ATOM 434 HG12 VAL D 29 -10.117 39.928 -12.134 1.00 0.00 H
435
+ ATOM 435 HG13 VAL D 29 -9.089 39.203 -11.171 1.00 0.00 H
436
+ ATOM 436 HG21 VAL D 29 -7.130 41.428 -11.059 1.00 0.00 H
437
+ ATOM 437 HG22 VAL D 29 -6.620 39.942 -11.260 1.00 0.00 H
438
+ ATOM 438 HG23 VAL D 29 -6.222 41.064 -12.305 1.00 0.00 H
439
+ ATOM 439 C ALA D 30 -12.235 37.950 -13.384 1.00 0.00 C
440
+ ATOM 440 CA ALA D 30 -11.229 37.743 -14.515 1.00 0.00 C
441
+ ATOM 441 CB ALA D 30 -11.256 36.345 -15.079 1.00 0.00 C
442
+ ATOM 442 N ALA D 30 -9.930 38.038 -13.984 1.00 0.00 N
443
+ ATOM 443 O ALA D 30 -11.887 37.879 -12.195 1.00 0.00 O
444
+ ATOM 444 H ALA D 30 -9.671 37.494 -13.370 1.00 0.00 H
445
+ ATOM 445 HA ALA D 30 -11.459 38.330 -15.252 1.00 0.00 H
446
+ ATOM 446 HB1 ALA D 30 -12.138 36.156 -15.435 1.00 0.00 H
447
+ ATOM 447 HB2 ALA D 30 -10.599 36.269 -15.788 1.00 0.00 H
448
+ ATOM 448 HB3 ALA D 30 -11.048 35.709 -14.377 1.00 0.00 H
449
+ ATOM 449 C GLN D 31 -15.819 38.376 -13.214 1.00 0.00 C
450
+ ATOM 450 CA GLN D 31 -14.397 38.591 -12.693 1.00 0.00 C
451
+ ATOM 451 CB GLN D 31 -14.190 40.029 -12.200 1.00 0.00 C
452
+ ATOM 452 CD GLN D 31 -14.724 41.711 -10.368 1.00 0.00 C
453
+ ATOM 453 CG GLN D 31 -14.979 40.333 -10.933 1.00 0.00 C
454
+ ATOM 454 N GLN D 31 -13.466 38.283 -13.742 1.00 0.00 N
455
+ ATOM 455 NE2 GLN D 31 -13.819 41.812 -9.404 1.00 0.00 N
456
+ ATOM 456 O GLN D 31 -16.126 38.753 -14.347 1.00 0.00 O
457
+ ATOM 457 OE1 GLN D 31 -15.389 42.666 -10.736 1.00 0.00 O
458
+ ATOM 458 H GLN D 31 -13.765 38.333 -14.547 1.00 0.00 H
459
+ ATOM 459 HA GLN D 31 -14.249 38.003 -11.936 1.00 0.00 H
460
+ ATOM 460 HB2 GLN D 31 -13.246 40.177 -12.033 1.00 0.00 H
461
+ ATOM 461 HB3 GLN D 31 -14.455 40.648 -12.898 1.00 0.00 H
462
+ ATOM 462 HG2 GLN D 31 -15.926 40.241 -11.122 1.00 0.00 H
463
+ ATOM 463 HG3 GLN D 31 -14.759 39.671 -10.259 1.00 0.00 H
464
+ ATOM 464 HE21 GLN D 31 -13.365 41.121 -9.166 1.00 0.00 H
465
+ ATOM 465 HE22 GLN D 31 -13.686 42.568 -9.017 1.00 0.00 H
466
+ ATOM 466 C TRP D 32 -18.963 37.666 -11.589 1.00 0.00 C
467
+ ATOM 467 CA TRP D 32 -18.051 37.548 -12.797 1.00 0.00 C
468
+ ATOM 468 CB TRP D 32 -18.237 36.185 -13.476 1.00 0.00 C
469
+ ATOM 469 CD1 TRP D 32 -18.525 34.345 -11.732 1.00 0.00 C
470
+ ATOM 470 CD2 TRP D 32 -16.465 34.458 -12.584 1.00 0.00 C
471
+ ATOM 471 CE2 TRP D 32 -16.508 33.398 -11.666 1.00 0.00 C
472
+ ATOM 472 CE3 TRP D 32 -15.266 34.711 -13.247 1.00 0.00 C
473
+ ATOM 473 CG TRP D 32 -17.784 35.036 -12.634 1.00 0.00 C
474
+ ATOM 474 CH2 TRP D 32 -14.244 32.872 -12.066 1.00 0.00 C
475
+ ATOM 475 CZ2 TRP D 32 -15.402 32.595 -11.388 1.00 0.00 C
476
+ ATOM 476 CZ3 TRP D 32 -14.176 33.914 -12.987 1.00 0.00 C
477
+ ATOM 477 N TRP D 32 -16.672 37.782 -12.380 1.00 0.00 N
478
+ ATOM 478 NE1 TRP D 32 -17.774 33.356 -11.161 1.00 0.00 N
479
+ ATOM 479 O TRP D 32 -18.494 37.583 -10.448 1.00 0.00 O
480
+ ATOM 480 H TRP D 32 -16.477 37.513 -11.587 1.00 0.00 H
481
+ ATOM 481 HA TRP D 32 -18.281 38.220 -13.457 1.00 0.00 H
482
+ ATOM 482 HB2 TRP D 32 -19.174 36.066 -13.696 1.00 0.00 H
483
+ ATOM 483 HB3 TRP D 32 -17.746 36.178 -14.312 1.00 0.00 H
484
+ ATOM 484 HD1 TRP D 32 -19.416 34.519 -11.531 1.00 0.00 H
485
+ ATOM 485 HE1 TRP D 32 -18.056 32.794 -10.574 1.00 0.00 H
486
+ ATOM 486 HE3 TRP D 32 -15.204 35.410 -13.857 1.00 0.00 H
487
+ ATOM 487 HZ2 TRP D 32 -15.448 31.902 -10.770 1.00 0.00 H
488
+ ATOM 488 HZ3 TRP D 32 -13.377 34.074 -13.435 1.00 0.00 H
489
+ ATOM 489 HH2 TRP D 32 -13.488 32.354 -11.908 1.00 0.00 H
490
+ ATOM 490 C ASP D 33 -21.527 36.607 -10.330 1.00 0.00 C
491
+ ATOM 491 CA ASP D 33 -21.276 37.972 -10.942 1.00 0.00 C
492
+ ATOM 492 CB ASP D 33 -22.595 38.449 -11.556 1.00 0.00 C
493
+ ATOM 493 CG ASP D 33 -22.679 39.956 -11.744 1.00 0.00 C
494
+ ATOM 494 N ASP D 33 -20.250 37.830 -11.904 1.00 0.00 N
495
+ ATOM 495 O ASP D 33 -21.403 35.583 -11.006 1.00 0.00 O
496
+ ATOM 496 OD1 ASP D 33 -22.218 40.710 -10.829 1.00 0.00 O
497
+ ATOM 497 OD2 ASP D 33 -23.196 40.369 -12.800 1.00 0.00 O
498
+ ATOM 498 H ASP D 33 -20.534 37.859 -12.715 1.00 0.00 H
499
+ ATOM 499 HA ASP D 33 -20.987 38.632 -10.292 1.00 0.00 H
500
+ ATOM 500 HB2 ASP D 33 -22.716 38.018 -12.416 1.00 0.00 H
501
+ ATOM 501 HB3 ASP D 33 -23.328 38.161 -10.989 1.00 0.00 H
502
+ ATOM 502 C THR D 34 -23.251 35.785 -7.249 1.00 0.00 C
503
+ ATOM 503 CA THR D 34 -22.279 35.439 -8.361 1.00 0.00 C
504
+ ATOM 504 CB THR D 34 -21.013 34.820 -7.756 1.00 0.00 C
505
+ ATOM 505 CG2 THR D 34 -20.213 35.746 -6.854 1.00 0.00 C
506
+ ATOM 506 N THR D 34 -21.964 36.633 -9.074 1.00 0.00 N
507
+ ATOM 507 O THR D 34 -23.180 36.878 -6.697 1.00 0.00 O
508
+ ATOM 508 OG1 THR D 34 -21.454 33.693 -7.012 1.00 0.00 O
509
+ ATOM 509 H THR D 34 -22.081 37.356 -8.623 1.00 0.00 H
510
+ ATOM 510 HA THR D 34 -22.673 34.796 -8.971 1.00 0.00 H
511
+ ATOM 511 HB THR D 34 -20.404 34.601 -8.478 1.00 0.00 H
512
+ ATOM 512 HG1 THR D 34 -22.012 33.259 -7.465 1.00 0.00 H
513
+ ATOM 513 HG21 THR D 34 -19.434 35.276 -6.517 1.00 0.00 H
514
+ ATOM 514 HG22 THR D 34 -19.928 36.523 -7.359 1.00 0.00 H
515
+ ATOM 515 HG23 THR D 34 -20.766 36.030 -6.109 1.00 0.00 H
516
+ ATOM 516 C ALA D 35 -23.946 34.571 -4.534 1.00 0.00 C
517
+ ATOM 517 CA ALA D 35 -24.875 34.927 -5.683 1.00 0.00 C
518
+ ATOM 518 CB ALA D 35 -26.082 34.023 -5.707 1.00 0.00 C
519
+ ATOM 519 N ALA D 35 -24.104 34.821 -6.896 1.00 0.00 N
520
+ ATOM 520 O ALA D 35 -23.057 33.722 -4.694 1.00 0.00 O
521
+ ATOM 521 H ALA D 35 -24.243 34.104 -7.351 1.00 0.00 H
522
+ ATOM 522 HA ALA D 35 -25.219 35.828 -5.582 1.00 0.00 H
523
+ ATOM 523 HB1 ALA D 35 -26.576 34.120 -4.878 1.00 0.00 H
524
+ ATOM 524 HB2 ALA D 35 -26.653 34.265 -6.453 1.00 0.00 H
525
+ ATOM 525 HB3 ALA D 35 -25.795 33.102 -5.806 1.00 0.00 H
526
+ ATOM 526 C VAL D 36 -24.580 34.702 -1.075 1.00 0.00 C
527
+ ATOM 527 CA VAL D 36 -23.516 34.795 -2.176 1.00 0.00 C
528
+ ATOM 528 CB VAL D 36 -22.368 35.741 -1.802 1.00 0.00 C
529
+ ATOM 529 CG1 VAL D 36 -21.769 35.384 -0.467 1.00 0.00 C
530
+ ATOM 530 CG2 VAL D 36 -21.297 35.767 -2.867 1.00 0.00 C
531
+ ATOM 531 N VAL D 36 -24.155 35.226 -3.391 1.00 0.00 N
532
+ ATOM 532 O VAL D 36 -25.373 35.621 -0.883 1.00 0.00 O
533
+ ATOM 533 H VAL D 36 -24.662 35.916 -3.310 1.00 0.00 H
534
+ ATOM 534 HA VAL D 36 -23.117 33.919 -2.296 1.00 0.00 H
535
+ ATOM 535 HB VAL D 36 -22.749 36.631 -1.736 1.00 0.00 H
536
+ ATOM 536 HG11 VAL D 36 -21.048 35.999 -0.261 1.00 0.00 H
537
+ ATOM 537 HG12 VAL D 36 -22.451 35.443 0.220 1.00 0.00 H
538
+ ATOM 538 HG13 VAL D 36 -21.422 34.479 -0.500 1.00 0.00 H
539
+ ATOM 539 HG21 VAL D 36 -20.589 36.373 -2.599 1.00 0.00 H
540
+ ATOM 540 HG22 VAL D 36 -20.933 34.875 -2.982 1.00 0.00 H
541
+ ATOM 541 HG23 VAL D 36 -21.681 36.069 -3.705 1.00 0.00 H
542
+ ATOM 542 C PHE D 37 -25.018 32.414 1.780 1.00 0.00 C
543
+ ATOM 543 CA PHE D 37 -25.553 33.322 0.679 1.00 0.00 C
544
+ ATOM 544 CB PHE D 37 -26.826 32.750 0.074 1.00 0.00 C
545
+ ATOM 545 CD1 PHE D 37 -26.424 30.330 -0.418 1.00 0.00 C
546
+ ATOM 546 CD2 PHE D 37 -26.681 31.830 -2.257 1.00 0.00 C
547
+ ATOM 547 CE1 PHE D 37 -26.278 29.281 -1.308 1.00 0.00 C
548
+ ATOM 548 CE2 PHE D 37 -26.530 30.777 -3.146 1.00 0.00 C
549
+ ATOM 549 CG PHE D 37 -26.612 31.617 -0.886 1.00 0.00 C
550
+ ATOM 550 CZ PHE D 37 -26.313 29.509 -2.666 1.00 0.00 C
551
+ ATOM 551 N PHE D 37 -24.576 33.569 -0.358 1.00 0.00 N
552
+ ATOM 552 O PHE D 37 -23.968 31.778 1.664 1.00 0.00 O
553
+ ATOM 553 H PHE D 37 -24.006 32.934 -0.467 1.00 0.00 H
554
+ ATOM 554 HA PHE D 37 -25.755 34.174 1.096 1.00 0.00 H
555
+ ATOM 555 HB2 PHE D 37 -27.402 32.444 0.792 1.00 0.00 H
556
+ ATOM 556 HB3 PHE D 37 -27.299 33.462 -0.385 1.00 0.00 H
557
+ ATOM 557 HD1 PHE D 37 -26.396 30.169 0.497 1.00 0.00 H
558
+ ATOM 558 HD2 PHE D 37 -26.830 32.688 -2.582 1.00 0.00 H
559
+ ATOM 559 HE1 PHE D 37 -26.155 28.417 -0.987 1.00 0.00 H
560
+ ATOM 560 HE2 PHE D 37 -26.575 30.929 -4.062 1.00 0.00 H
561
+ ATOM 561 HZ PHE D 37 -26.189 28.803 -3.259 1.00 0.00 H
562
+ ATOM 562 C HIS D 38 -26.498 30.571 4.262 1.00 0.00 C
563
+ ATOM 563 CA HIS D 38 -25.487 31.714 4.109 1.00 0.00 C
564
+ ATOM 564 CB HIS D 38 -25.597 32.696 5.285 1.00 0.00 C
565
+ ATOM 565 CD2 HIS D 38 -24.350 31.558 7.242 1.00 0.00 C
566
+ ATOM 566 CE1 HIS D 38 -26.080 31.222 8.553 1.00 0.00 C
567
+ ATOM 567 CG HIS D 38 -25.445 32.041 6.613 1.00 0.00 C
568
+ ATOM 568 N HIS D 38 -25.772 32.429 2.873 1.00 0.00 N
569
+ ATOM 569 ND1 HIS D 38 -26.520 31.789 7.446 1.00 0.00 N
570
+ ATOM 570 NE2 HIS D 38 -24.757 31.057 8.445 1.00 0.00 N
571
+ ATOM 571 O HIS D 38 -27.678 30.859 4.260 1.00 0.00 O
572
+ ATOM 572 H HIS D 38 -26.502 32.881 2.915 1.00 0.00 H
573
+ ATOM 573 HA HIS D 38 -24.591 31.342 4.093 1.00 0.00 H
574
+ ATOM 574 HB2 HIS D 38 -24.918 33.382 5.190 1.00 0.00 H
575
+ ATOM 575 HB3 HIS D 38 -26.458 33.141 5.247 1.00 0.00 H
576
+ ATOM 576 HD1 HIS D 38 -27.342 31.972 7.271 1.00 0.00 H
577
+ ATOM 577 HD2 HIS D 38 -23.479 31.566 6.915 1.00 0.00 H
578
+ ATOM 578 HE1 HIS D 38 -26.601 30.979 9.284 1.00 0.00 H
579
+ ATOM 579 HE2 HIS D 38 -24.247 30.695 9.036 1.00 0.00 H
580
+ ATOM 580 C THR D 39 -27.494 27.647 5.668 1.00 0.00 C
581
+ ATOM 581 CA THR D 39 -26.980 28.132 4.310 1.00 0.00 C
582
+ ATOM 582 CB THR D 39 -26.305 26.963 3.594 1.00 0.00 C
583
+ ATOM 583 CG2 THR D 39 -26.084 27.292 2.138 1.00 0.00 C
584
+ ATOM 584 N THR D 39 -26.054 29.309 4.428 1.00 0.00 N
585
+ ATOM 585 O THR D 39 -26.834 27.861 6.660 1.00 0.00 O
586
+ ATOM 586 OG1 THR D 39 -25.068 26.674 4.249 1.00 0.00 O
587
+ ATOM 587 H THR D 39 -25.238 29.105 4.606 1.00 0.00 H
588
+ ATOM 588 HA THR D 39 -27.737 28.444 3.789 1.00 0.00 H
589
+ ATOM 589 HB THR D 39 -26.877 26.180 3.632 1.00 0.00 H
590
+ ATOM 590 HG1 THR D 39 -25.138 26.845 5.068 1.00 0.00 H
591
+ ATOM 591 HG21 THR D 39 -25.655 26.541 1.698 1.00 0.00 H
592
+ ATOM 592 HG22 THR D 39 -26.938 27.471 1.713 1.00 0.00 H
593
+ ATOM 593 HG23 THR D 39 -25.517 28.076 2.066 1.00 0.00 H
594
+ TER 594 THR D 39
595
+ ATOM 594 C ALA F 1 -14.092 40.302 0.336 1.00 0.00 C
596
+ ATOM 595 CA ALA F 1 -14.205 41.673 0.987 1.00 0.00 C
597
+ ATOM 596 CB ALA F 1 -13.411 41.747 2.280 1.00 0.00 C
598
+ ATOM 597 N ALA F 1 -15.635 41.957 1.237 1.00 0.00 N
599
+ ATOM 598 O ALA F 1 -14.902 39.422 0.607 1.00 0.00 O
600
+ ATOM 599 H1 ALA F 1 -15.745 42.206 2.084 1.00 0.00 H
601
+ ATOM 600 H2 ALA F 1 -15.907 42.611 0.698 1.00 0.00 H
602
+ ATOM 601 H3 ALA F 1 -16.115 41.225 1.079 1.00 0.00 H
603
+ ATOM 602 HA ALA F 1 -13.832 42.339 0.389 1.00 0.00 H
604
+ ATOM 603 HB1 ALA F 1 -12.477 41.558 2.098 1.00 0.00 H
605
+ ATOM 604 HB2 ALA F 1 -13.493 42.636 2.660 1.00 0.00 H
606
+ ATOM 605 HB3 ALA F 1 -13.755 41.094 2.909 1.00 0.00 H
607
+ ATOM 606 C PRO F 2 -12.338 37.830 -0.028 1.00 0.00 C
608
+ ATOM 607 CA PRO F 2 -12.856 38.768 -1.118 1.00 0.00 C
609
+ ATOM 608 CB PRO F 2 -11.723 38.956 -2.132 1.00 0.00 C
610
+ ATOM 609 CD PRO F 2 -12.094 41.057 -1.009 1.00 0.00 C
611
+ ATOM 610 CG PRO F 2 -11.593 40.453 -2.309 1.00 0.00 C
612
+ ATOM 611 N PRO F 2 -13.091 40.080 -0.541 1.00 0.00 N
613
+ ATOM 612 O PRO F 2 -11.501 38.219 0.787 1.00 0.00 O
614
+ ATOM 613 HA PRO F 2 -13.664 38.405 -1.513 1.00 0.00 H
615
+ ATOM 614 HB2 PRO F 2 -10.895 38.568 -1.808 1.00 0.00 H
616
+ ATOM 615 HB3 PRO F 2 -11.930 38.520 -2.974 1.00 0.00 H
617
+ ATOM 616 HG2 PRO F 2 -10.672 40.706 -2.480 1.00 0.00 H
618
+ ATOM 617 HG3 PRO F 2 -12.118 40.763 -3.064 1.00 0.00 H
619
+ ATOM 618 HD2 PRO F 2 -11.376 41.170 -0.367 1.00 0.00 H
620
+ ATOM 619 HD3 PRO F 2 -12.489 41.932 -1.150 1.00 0.00 H
621
+ ATOM 620 C VAL F 3 -12.065 34.365 -0.072 1.00 0.00 C
622
+ ATOM 621 CA VAL F 3 -12.359 35.580 0.792 1.00 0.00 C
623
+ ATOM 622 CB VAL F 3 -13.358 35.225 1.908 1.00 0.00 C
624
+ ATOM 623 CG1 VAL F 3 -13.669 36.429 2.781 1.00 0.00 C
625
+ ATOM 624 CG2 VAL F 3 -14.626 34.625 1.344 1.00 0.00 C
626
+ ATOM 625 N VAL F 3 -12.836 36.603 -0.055 1.00 0.00 N
627
+ ATOM 626 O VAL F 3 -12.646 34.213 -1.153 1.00 0.00 O
628
+ ATOM 627 H VAL F 3 -13.470 36.357 -0.581 1.00 0.00 H
629
+ ATOM 628 HA VAL F 3 -11.556 35.889 1.241 1.00 0.00 H
630
+ ATOM 629 HB VAL F 3 -12.936 34.555 2.468 1.00 0.00 H
631
+ ATOM 630 HG11 VAL F 3 -14.299 36.173 3.473 1.00 0.00 H
632
+ ATOM 631 HG12 VAL F 3 -12.851 36.751 3.192 1.00 0.00 H
633
+ ATOM 632 HG13 VAL F 3 -14.055 37.133 2.236 1.00 0.00 H
634
+ ATOM 633 HG21 VAL F 3 -15.234 34.412 2.069 1.00 0.00 H
635
+ ATOM 634 HG22 VAL F 3 -15.047 35.262 0.746 1.00 0.00 H
636
+ ATOM 635 HG23 VAL F 3 -14.411 33.815 0.855 1.00 0.00 H
637
+ ATOM 636 C PRO F 4 -11.882 31.325 -0.558 1.00 0.00 C
638
+ ATOM 637 CA PRO F 4 -10.738 32.297 -0.313 1.00 0.00 C
639
+ ATOM 638 CB PRO F 4 -9.726 31.612 0.620 1.00 0.00 C
640
+ ATOM 639 CD PRO F 4 -10.454 33.613 1.705 1.00 0.00 C
641
+ ATOM 640 CG PRO F 4 -9.227 32.745 1.492 1.00 0.00 C
642
+ ATOM 641 N PRO F 4 -11.157 33.490 0.414 1.00 0.00 N
643
+ ATOM 642 O PRO F 4 -12.822 31.298 0.220 1.00 0.00 O
644
+ ATOM 643 HA PRO F 4 -10.387 32.543 -1.183 1.00 0.00 H
645
+ ATOM 644 HB2 PRO F 4 -10.143 30.912 1.147 1.00 0.00 H
646
+ ATOM 645 HB3 PRO F 4 -9.003 31.199 0.122 1.00 0.00 H
647
+ ATOM 646 HG2 PRO F 4 -8.874 32.416 2.334 1.00 0.00 H
648
+ ATOM 647 HG3 PRO F 4 -8.513 33.239 1.059 1.00 0.00 H
649
+ ATOM 648 HD2 PRO F 4 -10.997 33.296 2.444 1.00 0.00 H
650
+ ATOM 649 HD3 PRO F 4 -10.217 34.533 1.901 1.00 0.00 H
651
+ ATOM 650 C VAL F 5 -11.941 28.152 -1.500 1.00 0.00 C
652
+ ATOM 651 CA VAL F 5 -12.598 29.447 -1.993 1.00 0.00 C
653
+ ATOM 652 CB VAL F 5 -12.879 29.385 -3.505 1.00 0.00 C
654
+ ATOM 653 CG1 VAL F 5 -13.781 28.201 -3.860 1.00 0.00 C
655
+ ATOM 654 CG2 VAL F 5 -13.464 30.700 -4.013 1.00 0.00 C
656
+ ATOM 655 N VAL F 5 -11.752 30.579 -1.657 1.00 0.00 N
657
+ ATOM 656 O VAL F 5 -10.787 27.842 -1.811 1.00 0.00 O
658
+ ATOM 657 H VAL F 5 -11.144 30.729 -2.246 1.00 0.00 H
659
+ ATOM 658 HA VAL F 5 -13.454 29.556 -1.549 1.00 0.00 H
660
+ ATOM 659 HB VAL F 5 -12.030 29.247 -3.954 1.00 0.00 H
661
+ ATOM 660 HG11 VAL F 5 -13.939 28.190 -4.817 1.00 0.00 H
662
+ ATOM 661 HG12 VAL F 5 -13.349 27.374 -3.594 1.00 0.00 H
663
+ ATOM 662 HG13 VAL F 5 -14.627 28.288 -3.394 1.00 0.00 H
664
+ ATOM 663 HG21 VAL F 5 -13.631 30.633 -4.966 1.00 0.00 H
665
+ ATOM 664 HG22 VAL F 5 -14.297 30.884 -3.551 1.00 0.00 H
666
+ ATOM 665 HG23 VAL F 5 -12.836 31.420 -3.845 1.00 0.00 H
667
+ ATOM 666 C THR F 6 -12.417 25.039 -1.146 1.00 0.00 C
668
+ ATOM 667 CA THR F 6 -12.326 26.166 -0.126 1.00 0.00 C
669
+ ATOM 668 CB THR F 6 -13.243 25.870 1.064 1.00 0.00 C
670
+ ATOM 669 CG2 THR F 6 -13.228 24.431 1.528 1.00 0.00 C
671
+ ATOM 670 N THR F 6 -12.733 27.386 -0.756 1.00 0.00 N
672
+ ATOM 671 O THR F 6 -11.496 24.282 -1.327 1.00 0.00 O
673
+ ATOM 672 OG1 THR F 6 -12.790 26.750 2.093 1.00 0.00 O
674
+ ATOM 673 H THR F 6 -13.556 27.583 -0.606 1.00 0.00 H
675
+ ATOM 674 HA THR F 6 -11.414 26.245 0.196 1.00 0.00 H
676
+ ATOM 675 HB THR F 6 -14.169 26.012 0.814 1.00 0.00 H
677
+ ATOM 676 HG1 THR F 6 -13.161 26.547 2.819 1.00 0.00 H
678
+ ATOM 677 HG21 THR F 6 -13.831 24.327 2.280 1.00 0.00 H
679
+ ATOM 678 HG22 THR F 6 -13.514 23.854 0.803 1.00 0.00 H
680
+ ATOM 679 HG23 THR F 6 -12.329 24.188 1.799 1.00 0.00 H
681
+ ATOM 680 C LYS F 7 -14.777 24.413 -3.807 1.00 0.00 C
682
+ ATOM 681 CA LYS F 7 -13.833 23.894 -2.722 1.00 0.00 C
683
+ ATOM 682 CB LYS F 7 -14.450 22.692 -2.009 1.00 0.00 C
684
+ ATOM 683 CD LYS F 7 -15.561 20.458 -2.546 1.00 0.00 C
685
+ ATOM 684 CE LYS F 7 -15.785 20.065 -1.097 1.00 0.00 C
686
+ ATOM 685 CG LYS F 7 -14.359 21.373 -2.768 1.00 0.00 C
687
+ ATOM 686 N LYS F 7 -13.579 24.939 -1.780 1.00 0.00 N
688
+ ATOM 687 NZ LYS F 7 -16.851 19.044 -0.960 1.00 0.00 N
689
+ ATOM 688 O LYS F 7 -15.627 25.250 -3.546 1.00 0.00 O
690
+ ATOM 689 H LYS F 7 -14.236 25.483 -1.667 1.00 0.00 H
691
+ ATOM 690 HA LYS F 7 -13.000 23.614 -3.133 1.00 0.00 H
692
+ ATOM 691 HB2 LYS F 7 -14.014 22.585 -1.149 1.00 0.00 H
693
+ ATOM 692 HB3 LYS F 7 -15.384 22.883 -1.832 1.00 0.00 H
694
+ ATOM 693 HG2 LYS F 7 -14.274 21.559 -3.716 1.00 0.00 H
695
+ ATOM 694 HG3 LYS F 7 -13.553 20.907 -2.497 1.00 0.00 H
696
+ ATOM 695 HD2 LYS F 7 -16.358 20.901 -2.877 1.00 0.00 H
697
+ ATOM 696 HD3 LYS F 7 -15.444 19.653 -3.074 1.00 0.00 H
698
+ ATOM 697 HE2 LYS F 7 -14.958 19.721 -0.724 1.00 0.00 H
699
+ ATOM 698 HE3 LYS F 7 -16.023 20.852 -0.582 1.00 0.00 H
700
+ ATOM 699 HZ1 LYS F 7 -16.654 18.498 -0.286 1.00 0.00 H
701
+ ATOM 700 HZ2 LYS F 7 -17.628 19.446 -0.798 1.00 0.00 H
702
+ ATOM 701 HZ3 LYS F 7 -16.911 18.575 -1.714 1.00 0.00 H
703
+ ATOM 702 C LEU F 8 -15.921 22.966 -6.858 1.00 0.00 C
704
+ ATOM 703 CA LEU F 8 -15.378 24.227 -6.178 1.00 0.00 C
705
+ ATOM 704 CB LEU F 8 -14.457 25.010 -7.113 1.00 0.00 C
706
+ ATOM 705 CD1 LEU F 8 -16.083 26.803 -7.810 1.00 0.00 C
707
+ ATOM 706 CD2 LEU F 8 -14.105 26.274 -9.242 1.00 0.00 C
708
+ ATOM 707 CG LEU F 8 -15.146 25.706 -8.284 1.00 0.00 C
709
+ ATOM 708 N LEU F 8 -14.615 23.864 -5.014 1.00 0.00 N
710
+ ATOM 709 O LEU F 8 -15.176 22.028 -7.123 1.00 0.00 O
711
+ ATOM 710 H LEU F 8 -14.034 23.249 -5.169 1.00 0.00 H
712
+ ATOM 711 HA LEU F 8 -16.139 24.778 -5.937 1.00 0.00 H
713
+ ATOM 712 HB2 LEU F 8 -13.986 25.679 -6.592 1.00 0.00 H
714
+ ATOM 713 HB3 LEU F 8 -13.788 24.402 -7.466 1.00 0.00 H
715
+ ATOM 714 HG LEU F 8 -15.681 25.045 -8.750 1.00 0.00 H
716
+ ATOM 715 HD11 LEU F 8 -16.503 27.224 -8.577 1.00 0.00 H
717
+ ATOM 716 HD12 LEU F 8 -16.766 26.420 -7.237 1.00 0.00 H
718
+ ATOM 717 HD13 LEU F 8 -15.579 27.467 -7.313 1.00 0.00 H
719
+ ATOM 718 HD21 LEU F 8 -14.552 26.714 -9.982 1.00 0.00 H
720
+ ATOM 719 HD22 LEU F 8 -13.549 26.916 -8.773 1.00 0.00 H
721
+ ATOM 720 HD23 LEU F 8 -13.551 25.554 -9.582 1.00 0.00 H
722
+ ATOM 721 C VAL F 9 -18.927 22.426 -8.769 1.00 0.00 C
723
+ ATOM 722 CA VAL F 9 -17.889 21.862 -7.795 1.00 0.00 C
724
+ ATOM 723 CB VAL F 9 -18.561 20.935 -6.756 1.00 0.00 C
725
+ ATOM 724 CG1 VAL F 9 -17.611 20.501 -5.648 1.00 0.00 C
726
+ ATOM 725 CG2 VAL F 9 -19.814 21.557 -6.158 1.00 0.00 C
727
+ ATOM 726 N VAL F 9 -17.226 22.972 -7.147 1.00 0.00 N
728
+ ATOM 727 O VAL F 9 -19.406 23.534 -8.547 1.00 0.00 O
729
+ ATOM 728 H VAL F 9 -17.747 23.632 -6.967 1.00 0.00 H
730
+ ATOM 729 HA VAL F 9 -17.238 21.328 -8.277 1.00 0.00 H
731
+ ATOM 730 HB VAL F 9 -18.819 20.140 -7.249 1.00 0.00 H
732
+ ATOM 731 HG11 VAL F 9 -18.081 19.924 -5.026 1.00 0.00 H
733
+ ATOM 732 HG12 VAL F 9 -16.863 20.019 -6.033 1.00 0.00 H
734
+ ATOM 733 HG13 VAL F 9 -17.283 21.283 -5.178 1.00 0.00 H
735
+ ATOM 734 HG21 VAL F 9 -20.203 20.945 -5.514 1.00 0.00 H
736
+ ATOM 735 HG22 VAL F 9 -19.583 22.389 -5.715 1.00 0.00 H
737
+ ATOM 736 HG23 VAL F 9 -20.456 21.734 -6.863 1.00 0.00 H
738
+ ATOM 737 C CYS F 10 -21.367 20.864 -10.869 1.00 0.00 C
739
+ ATOM 738 CA CYS F 10 -20.388 22.036 -10.728 0.50 0.00 C
740
+ ATOM 739 CB CYS F 10 -19.847 22.493 -12.079 0.50 0.00 C
741
+ ATOM 740 N CYS F 10 -19.291 21.661 -9.815 1.00 0.00 N
742
+ ATOM 741 O CYS F 10 -21.109 19.789 -10.347 1.00 0.00 O
743
+ ATOM 742 SG CYS F 10 -18.635 23.833 -11.919 0.50 0.00 S
744
+ ATOM 743 H CYS F 10 -18.911 20.915 -10.013 1.00 0.00 H
745
+ ATOM 744 HA CYS F 10 -20.870 22.789 -10.352 0.50 0.00 H
746
+ ATOM 745 HB2 CYS F 10 -19.436 21.740 -12.532 0.50 0.00 H
747
+ ATOM 746 HB3 CYS F 10 -20.583 22.791 -12.636 0.50 0.00 H
748
+ ATOM 747 C ASP F 11 -24.439 20.360 -12.872 1.00 0.00 C
749
+ ATOM 748 CA ASP F 11 -23.565 20.123 -11.648 1.00 0.00 C
750
+ ATOM 749 CB ASP F 11 -24.448 20.199 -10.398 1.00 0.00 C
751
+ ATOM 750 CG ASP F 11 -25.542 19.142 -10.278 1.00 0.00 C
752
+ ATOM 751 N ASP F 11 -22.495 21.096 -11.568 1.00 0.00 N
753
+ ATOM 752 O ASP F 11 -25.145 21.360 -12.947 1.00 0.00 O
754
+ ATOM 753 OD1 ASP F 11 -26.065 18.700 -11.315 1.00 0.00 O
755
+ ATOM 754 OD2 ASP F 11 -25.867 18.777 -9.135 1.00 0.00 O
756
+ ATOM 755 H ASP F 11 -22.647 21.823 -12.002 1.00 0.00 H
757
+ ATOM 756 HA ASP F 11 -23.154 19.247 -11.715 1.00 0.00 H
758
+ ATOM 757 HB2 ASP F 11 -23.876 20.135 -9.617 1.00 0.00 H
759
+ ATOM 758 HB3 ASP F 11 -24.866 21.074 -10.373 1.00 0.00 H
760
+ ATOM 759 C GLY F 12 -26.674 19.201 -14.939 1.00 0.00 C
761
+ ATOM 760 CA GLY F 12 -25.177 19.424 -15.030 1.00 0.00 C
762
+ ATOM 761 N GLY F 12 -24.489 19.348 -13.750 1.00 0.00 N
763
+ ATOM 762 O GLY F 12 -27.403 19.475 -15.915 1.00 0.00 O
764
+ ATOM 763 H GLY F 12 -24.114 18.587 -13.608 1.00 0.00 H
765
+ ATOM 764 HA2 GLY F 12 -25.012 20.295 -15.424 1.00 0.00 H
766
+ ATOM 765 HA3 GLY F 12 -24.797 18.764 -15.631 1.00 0.00 H
767
+ ATOM 766 C ASP F 13 -29.114 20.109 -13.122 1.00 0.00 C
768
+ ATOM 767 CA ASP F 13 -28.622 18.716 -13.566 1.00 0.00 C
769
+ ATOM 768 CB ASP F 13 -29.018 17.583 -12.607 1.00 0.00 C
770
+ ATOM 769 CG ASP F 13 -28.398 16.227 -12.951 1.00 0.00 C
771
+ ATOM 770 N ASP F 13 -27.164 18.748 -13.782 1.00 0.00 N
772
+ ATOM 771 O ASP F 13 -30.246 20.508 -13.476 1.00 0.00 O
773
+ ATOM 772 OD1 ASP F 13 -28.578 15.748 -14.098 1.00 0.00 O
774
+ ATOM 773 OD2 ASP F 13 -27.706 15.673 -12.090 1.00 0.00 O
775
+ ATOM 774 H ASP F 13 -26.689 18.462 -13.125 1.00 0.00 H
776
+ ATOM 775 HA ASP F 13 -29.072 18.512 -14.401 1.00 0.00 H
777
+ ATOM 776 HB2 ASP F 13 -28.755 17.828 -11.706 1.00 0.00 H
778
+ ATOM 777 HB3 ASP F 13 -29.984 17.495 -12.607 1.00 0.00 H
779
+ ATOM 778 C THR F 14 -28.174 23.345 -12.566 1.00 0.00 C
780
+ ATOM 779 CA THR F 14 -28.681 22.140 -11.763 1.00 0.00 C
781
+ ATOM 780 CB THR F 14 -28.185 22.301 -10.316 1.00 0.00 C
782
+ ATOM 781 CG2 THR F 14 -28.560 21.136 -9.419 1.00 0.00 C
783
+ ATOM 782 N THR F 14 -28.274 20.850 -12.376 1.00 0.00 N
784
+ ATOM 783 O THR F 14 -28.712 24.413 -12.418 1.00 0.00 O
785
+ ATOM 784 OG1 THR F 14 -26.761 22.489 -10.299 1.00 0.00 O
786
+ ATOM 785 H THR F 14 -27.461 20.625 -12.211 1.00 0.00 H
787
+ ATOM 786 HA THR F 14 -29.651 22.118 -11.768 1.00 0.00 H
788
+ ATOM 787 HB THR F 14 -28.631 23.085 -9.959 1.00 0.00 H
789
+ ATOM 788 HG1 THR F 14 -26.438 22.250 -11.037 1.00 0.00 H
790
+ ATOM 789 HG21 THR F 14 -28.221 21.294 -8.524 1.00 0.00 H
791
+ ATOM 790 HG22 THR F 14 -29.526 21.049 -9.388 1.00 0.00 H
792
+ ATOM 791 HG23 THR F 14 -28.173 20.319 -9.771 1.00 0.00 H
793
+ ATOM 792 C TYR F 15 -25.948 25.273 -13.256 1.00 0.00 C
794
+ ATOM 793 CA TYR F 15 -26.499 24.198 -14.192 1.00 0.00 C
795
+ ATOM 794 CB TYR F 15 -27.489 24.703 -15.247 1.00 0.00 C
796
+ ATOM 795 CD1 TYR F 15 -27.058 22.889 -16.942 1.00 0.00 C
797
+ ATOM 796 CD2 TYR F 15 -29.298 23.218 -16.223 1.00 0.00 C
798
+ ATOM 797 CE1 TYR F 15 -27.463 21.853 -17.771 1.00 0.00 C
799
+ ATOM 798 CE2 TYR F 15 -29.722 22.177 -17.040 1.00 0.00 C
800
+ ATOM 799 CG TYR F 15 -27.964 23.608 -16.175 1.00 0.00 C
801
+ ATOM 800 CZ TYR F 15 -28.799 21.491 -17.817 1.00 0.00 C
802
+ ATOM 801 N TYR F 15 -27.122 23.152 -13.369 1.00 0.00 N
803
+ ATOM 802 O TYR F 15 -26.128 26.464 -13.482 1.00 0.00 O
804
+ ATOM 803 OH TYR F 15 -29.180 20.461 -18.629 1.00 0.00 O
805
+ ATOM 804 H TYR F 15 -26.740 22.386 -13.452 1.00 0.00 H
806
+ ATOM 805 HA TYR F 15 -25.749 23.858 -14.704 1.00 0.00 H
807
+ ATOM 806 HB2 TYR F 15 -28.255 25.100 -14.803 1.00 0.00 H
808
+ ATOM 807 HB3 TYR F 15 -27.069 25.404 -15.769 1.00 0.00 H
809
+ ATOM 808 HD1 TYR F 15 -26.155 23.108 -16.899 1.00 0.00 H
810
+ ATOM 809 HD2 TYR F 15 -29.921 23.664 -15.696 1.00 0.00 H
811
+ ATOM 810 HE1 TYR F 15 -26.839 21.403 -18.294 1.00 0.00 H
812
+ ATOM 811 HE2 TYR F 15 -30.621 21.941 -17.066 1.00 0.00 H
813
+ ATOM 812 HH TYR F 15 -28.501 20.123 -18.991 1.00 0.00 H
814
+ ATOM 813 C LYS F 16 -23.365 25.161 -10.794 1.00 0.00 C
815
+ ATOM 814 CA LYS F 16 -24.734 25.680 -11.192 1.00 0.00 C
816
+ ATOM 815 CB LYS F 16 -25.500 25.704 -9.870 1.00 0.00 C
817
+ ATOM 816 CD LYS F 16 -27.009 27.711 -10.156 1.00 0.00 C
818
+ ATOM 817 CE LYS F 16 -28.416 28.219 -9.962 1.00 0.00 C
819
+ ATOM 818 CG LYS F 16 -26.925 26.218 -9.941 1.00 0.00 C
820
+ ATOM 819 N LYS F 16 -25.304 24.812 -12.181 1.00 0.00 N
821
+ ATOM 820 NZ LYS F 16 -28.530 29.602 -10.462 1.00 0.00 N
822
+ ATOM 821 O LYS F 16 -23.198 23.953 -10.649 1.00 0.00 O
823
+ ATOM 822 H LYS F 16 -25.193 23.975 -12.017 1.00 0.00 H
824
+ ATOM 823 HA LYS F 16 -24.737 26.558 -11.605 1.00 0.00 H
825
+ ATOM 824 HB2 LYS F 16 -25.517 24.804 -9.509 1.00 0.00 H
826
+ ATOM 825 HB3 LYS F 16 -25.007 26.253 -9.240 1.00 0.00 H
827
+ ATOM 826 HG2 LYS F 16 -27.390 25.767 -10.663 1.00 0.00 H
828
+ ATOM 827 HG3 LYS F 16 -27.387 25.989 -9.119 1.00 0.00 H
829
+ ATOM 828 HD2 LYS F 16 -26.413 28.162 -9.538 1.00 0.00 H
830
+ ATOM 829 HD3 LYS F 16 -26.706 27.928 -11.052 1.00 0.00 H
831
+ ATOM 830 HE2 LYS F 16 -29.042 27.645 -10.431 1.00 0.00 H
832
+ ATOM 831 HE3 LYS F 16 -28.652 28.187 -9.022 1.00 0.00 H
833
+ ATOM 832 HZ1 LYS F 16 -29.386 29.793 -10.616 1.00 0.00 H
834
+ ATOM 833 HZ2 LYS F 16 -28.206 30.165 -9.854 1.00 0.00 H
835
+ ATOM 834 HZ3 LYS F 16 -28.068 29.684 -11.218 1.00 0.00 H
836
+ ATOM 835 C CYS F 17 -21.247 26.563 -8.623 1.00 0.00 C
837
+ ATOM 836 CA CYS F 17 -21.166 25.867 -9.983 0.25 0.00 C
838
+ ATOM 837 CB CYS F 17 -19.940 26.368 -10.741 0.25 0.00 C
839
+ ATOM 838 N CYS F 17 -22.423 26.107 -10.677 1.00 0.00 N
840
+ ATOM 839 O CYS F 17 -21.748 27.680 -8.524 1.00 0.00 O
841
+ ATOM 840 SG CYS F 17 -19.647 25.550 -12.333 0.25 0.00 S
842
+ ATOM 841 H CYS F 17 -22.501 26.901 -10.999 1.00 0.00 H
843
+ ATOM 842 HA CYS F 17 -21.052 24.908 -9.897 0.25 0.00 H
844
+ ATOM 843 HB2 CYS F 17 -20.036 27.321 -10.894 0.25 0.00 H
845
+ ATOM 844 HB3 CYS F 17 -19.157 26.248 -10.181 0.25 0.00 H
846
+ ATOM 845 C THR F 18 -19.434 26.353 -5.620 1.00 0.00 C
847
+ ATOM 846 CA THR F 18 -20.837 26.234 -6.215 1.00 0.00 C
848
+ ATOM 847 CB THR F 18 -21.644 25.173 -5.448 1.00 0.00 C
849
+ ATOM 848 CG2 THR F 18 -21.691 25.382 -3.954 1.00 0.00 C
850
+ ATOM 849 N THR F 18 -20.733 25.871 -7.606 1.00 0.00 N
851
+ ATOM 850 O THR F 18 -18.597 25.450 -5.792 1.00 0.00 O
852
+ ATOM 851 OG1 THR F 18 -22.983 25.210 -5.924 1.00 0.00 O
853
+ ATOM 852 H THR F 18 -20.294 25.141 -7.726 1.00 0.00 H
854
+ ATOM 853 HA THR F 18 -21.296 27.085 -6.139 1.00 0.00 H
855
+ ATOM 854 HB THR F 18 -21.199 24.325 -5.603 1.00 0.00 H
856
+ ATOM 855 HG1 THR F 18 -23.390 25.852 -5.567 1.00 0.00 H
857
+ ATOM 856 HG21 THR F 18 -22.215 24.676 -3.545 1.00 0.00 H
858
+ ATOM 857 HG22 THR F 18 -20.790 25.364 -3.596 1.00 0.00 H
859
+ ATOM 858 HG23 THR F 18 -22.098 26.241 -3.760 1.00 0.00 H
860
+ ATOM 859 C ALA F 19 -18.136 27.888 -2.761 1.00 0.00 C
861
+ ATOM 860 CA ALA F 19 -17.943 27.729 -4.274 1.00 0.00 C
862
+ ATOM 861 CB ALA F 19 -17.324 28.958 -4.901 1.00 0.00 C
863
+ ATOM 862 N ALA F 19 -19.208 27.455 -4.893 1.00 0.00 N
864
+ ATOM 863 O ALA F 19 -18.789 28.830 -2.297 1.00 0.00 O
865
+ ATOM 864 H ALA F 19 -19.803 28.061 -4.754 1.00 0.00 H
866
+ ATOM 865 HA ALA F 19 -17.333 26.989 -4.417 1.00 0.00 H
867
+ ATOM 866 HB1 ALA F 19 -16.469 29.140 -4.480 1.00 0.00 H
868
+ ATOM 867 HB2 ALA F 19 -17.191 28.805 -5.850 1.00 0.00 H
869
+ ATOM 868 HB3 ALA F 19 -17.914 29.718 -4.776 1.00 0.00 H
870
+ ATOM 869 C TYR F 20 -16.521 27.920 -0.112 1.00 0.00 C
871
+ ATOM 870 CA TYR F 20 -17.619 26.980 -0.574 1.00 0.00 C
872
+ ATOM 871 CB TYR F 20 -17.501 25.577 0.025 1.00 0.00 C
873
+ ATOM 872 CD1 TYR F 20 -18.517 23.944 -1.592 1.00 0.00 C
874
+ ATOM 873 CD2 TYR F 20 -19.770 24.521 0.346 1.00 0.00 C
875
+ ATOM 874 CE1 TYR F 20 -19.538 23.098 -2.001 1.00 0.00 C
876
+ ATOM 875 CE2 TYR F 20 -20.809 23.697 -0.055 1.00 0.00 C
877
+ ATOM 876 CG TYR F 20 -18.612 24.658 -0.408 1.00 0.00 C
878
+ ATOM 877 CZ TYR F 20 -20.685 22.985 -1.235 1.00 0.00 C
879
+ ATOM 878 N TYR F 20 -17.547 26.955 -2.001 1.00 0.00 N
880
+ ATOM 879 O TYR F 20 -15.424 27.941 -0.697 1.00 0.00 O
881
+ ATOM 880 OH TYR F 20 -21.697 22.197 -1.667 1.00 0.00 O
882
+ ATOM 881 H TYR F 20 -17.097 26.295 -2.319 1.00 0.00 H
883
+ ATOM 882 HA TYR F 20 -18.482 27.299 -0.267 1.00 0.00 H
884
+ ATOM 883 HB2 TYR F 20 -16.649 25.191 -0.233 1.00 0.00 H
885
+ ATOM 884 HB3 TYR F 20 -17.501 25.643 0.993 1.00 0.00 H
886
+ ATOM 885 HD1 TYR F 20 -17.757 24.033 -2.121 1.00 0.00 H
887
+ ATOM 886 HD2 TYR F 20 -19.850 24.995 1.142 1.00 0.00 H
888
+ ATOM 887 HE1 TYR F 20 -19.452 22.609 -2.787 1.00 0.00 H
889
+ ATOM 888 HE2 TYR F 20 -21.579 23.623 0.462 1.00 0.00 H
890
+ ATOM 889 HH TYR F 20 -21.456 21.786 -2.359 1.00 0.00 H
891
+ ATOM 890 C LEU F 21 -15.454 29.643 2.671 1.00 0.00 C
892
+ ATOM 891 CA LEU F 21 -16.044 29.827 1.275 1.00 0.00 C
893
+ ATOM 892 CB LEU F 21 -16.896 31.088 1.196 1.00 0.00 C
894
+ ATOM 893 CD1 LEU F 21 -18.325 32.646 -0.129 1.00 0.00 C
895
+ ATOM 894 CD2 LEU F 21 -16.414 31.498 -1.262 1.00 0.00 C
896
+ ATOM 895 CG LEU F 21 -17.496 31.373 -0.182 1.00 0.00 C
897
+ ATOM 896 N LEU F 21 -16.850 28.711 0.908 1.00 0.00 N
898
+ ATOM 897 O LEU F 21 -16.069 29.091 3.593 1.00 0.00 O
899
+ ATOM 898 H LEU F 21 -17.550 28.601 1.396 1.00 0.00 H
900
+ ATOM 899 HA LEU F 21 -15.296 29.904 0.662 1.00 0.00 H
901
+ ATOM 900 HB2 LEU F 21 -17.618 31.016 1.840 1.00 0.00 H
902
+ ATOM 901 HB3 LEU F 21 -16.353 31.847 1.461 1.00 0.00 H
903
+ ATOM 902 HG LEU F 21 -18.062 30.622 -0.419 1.00 0.00 H
904
+ ATOM 903 HD11 LEU F 21 -18.703 32.823 -1.005 1.00 0.00 H
905
+ ATOM 904 HD12 LEU F 21 -19.041 32.539 0.517 1.00 0.00 H
906
+ ATOM 905 HD13 LEU F 21 -17.760 33.389 0.135 1.00 0.00 H
907
+ ATOM 906 HD21 LEU F 21 -16.831 31.678 -2.119 1.00 0.00 H
908
+ ATOM 907 HD22 LEU F 21 -15.813 32.225 -1.036 1.00 0.00 H
909
+ ATOM 908 HD23 LEU F 21 -15.912 30.670 -1.315 1.00 0.00 H
910
+ ATOM 909 C ASP F 22 -13.943 31.619 4.644 1.00 0.00 C
911
+ ATOM 910 CA ASP F 22 -13.579 30.257 4.043 1.00 0.00 C
912
+ ATOM 911 CB ASP F 22 -12.075 30.069 3.871 1.00 0.00 C
913
+ ATOM 912 CG ASP F 22 -11.319 30.247 5.165 1.00 0.00 C
914
+ ATOM 913 N ASP F 22 -14.232 30.146 2.791 1.00 0.00 N
915
+ ATOM 914 O ASP F 22 -13.340 32.635 4.348 1.00 0.00 O
916
+ ATOM 915 OD1 ASP F 22 -11.862 29.818 6.204 1.00 0.00 O
917
+ ATOM 916 OD2 ASP F 22 -10.210 30.834 5.118 1.00 0.00 O
918
+ ATOM 917 H ASP F 22 -13.767 30.432 2.126 1.00 0.00 H
919
+ ATOM 918 HA ASP F 22 -13.870 29.562 4.654 1.00 0.00 H
920
+ ATOM 919 HB2 ASP F 22 -11.901 29.183 3.518 1.00 0.00 H
921
+ ATOM 920 HB3 ASP F 22 -11.745 30.705 3.217 1.00 0.00 H
922
+ ATOM 921 C TYR F 23 -16.389 32.430 7.264 1.00 0.00 C
923
+ ATOM 922 CA TYR F 23 -15.391 32.809 6.162 1.00 0.00 C
924
+ ATOM 923 CB TYR F 23 -16.034 33.770 5.155 1.00 0.00 C
925
+ ATOM 924 CD1 TYR F 23 -15.815 36.079 6.142 1.00 0.00 C
926
+ ATOM 925 CD2 TYR F 23 -17.984 35.106 6.044 1.00 0.00 C
927
+ ATOM 926 CE1 TYR F 23 -16.351 37.219 6.734 1.00 0.00 C
928
+ ATOM 927 CE2 TYR F 23 -18.538 36.237 6.634 1.00 0.00 C
929
+ ATOM 928 CG TYR F 23 -16.619 35.012 5.775 1.00 0.00 C
930
+ ATOM 929 CZ TYR F 23 -17.717 37.298 6.975 1.00 0.00 C
931
+ ATOM 930 N TYR F 23 -14.955 31.614 5.496 1.00 0.00 N
932
+ ATOM 931 O TYR F 23 -17.193 31.516 7.093 1.00 0.00 O
933
+ ATOM 932 OH TYR F 23 -18.265 38.410 7.542 1.00 0.00 O
934
+ ATOM 933 H TYR F 23 -15.406 30.911 5.700 1.00 0.00 H
935
+ ATOM 934 HA TYR F 23 -14.630 33.258 6.562 1.00 0.00 H
936
+ ATOM 935 HB2 TYR F 23 -15.367 34.031 4.500 1.00 0.00 H
937
+ ATOM 936 HB3 TYR F 23 -16.734 33.300 4.675 1.00 0.00 H
938
+ ATOM 937 HD1 TYR F 23 -14.899 36.033 5.990 1.00 0.00 H
939
+ ATOM 938 HD2 TYR F 23 -18.539 34.393 5.823 1.00 0.00 H
940
+ ATOM 939 HE1 TYR F 23 -15.795 37.927 6.968 1.00 0.00 H
941
+ ATOM 940 HE2 TYR F 23 -19.452 36.280 6.798 1.00 0.00 H
942
+ ATOM 941 HH TYR F 23 -18.572 38.909 6.940 1.00 0.00 H
943
+ ATOM 942 C GLY F 24 -17.444 31.635 9.950 1.00 0.00 C
944
+ ATOM 943 CA GLY F 24 -17.307 33.065 9.450 1.00 0.00 C
945
+ ATOM 944 N GLY F 24 -16.330 33.158 8.381 1.00 0.00 N
946
+ ATOM 945 O GLY F 24 -16.453 31.003 10.312 1.00 0.00 O
947
+ ATOM 946 H GLY F 24 -15.706 33.729 8.535 1.00 0.00 H
948
+ ATOM 947 HA2 GLY F 24 -17.043 33.642 10.183 1.00 0.00 H
949
+ ATOM 948 HA3 GLY F 24 -18.167 33.383 9.134 1.00 0.00 H
950
+ ATOM 949 C ASP F 25 -18.960 28.737 9.401 1.00 0.00 C
951
+ ATOM 950 CA ASP F 25 -19.064 29.839 10.469 1.00 0.00 C
952
+ ATOM 951 CB ASP F 25 -20.505 29.890 10.993 1.00 0.00 C
953
+ ATOM 952 CG ASP F 25 -21.543 30.247 9.933 1.00 0.00 C
954
+ ATOM 953 N ASP F 25 -18.684 31.136 9.938 1.00 0.00 N
955
+ ATOM 954 O ASP F 25 -19.415 27.612 9.651 1.00 0.00 O
956
+ ATOM 955 OD1 ASP F 25 -21.134 30.751 8.861 1.00 0.00 O
957
+ ATOM 956 OD2 ASP F 25 -22.752 30.024 10.179 1.00 0.00 O
958
+ ATOM 957 H ASP F 25 -19.349 31.568 9.605 1.00 0.00 H
959
+ ATOM 958 HA ASP F 25 -18.451 29.628 11.191 1.00 0.00 H
960
+ ATOM 959 HB2 ASP F 25 -20.731 29.027 11.375 1.00 0.00 H
961
+ ATOM 960 HB3 ASP F 25 -20.554 30.540 11.712 1.00 0.00 H
962
+ ATOM 961 C GLY F 26 -19.492 27.710 6.364 1.00 0.00 C
963
+ ATOM 962 CA GLY F 26 -18.230 28.059 7.143 1.00 0.00 C
964
+ ATOM 963 N GLY F 26 -18.448 29.058 8.201 1.00 0.00 N
965
+ ATOM 964 O GLY F 26 -19.519 26.766 5.587 1.00 0.00 O
966
+ ATOM 965 H GLY F 26 -18.219 29.857 7.981 1.00 0.00 H
967
+ ATOM 966 HA2 GLY F 26 -17.560 28.393 6.526 1.00 0.00 H
968
+ ATOM 967 HA3 GLY F 26 -17.871 27.251 7.541 1.00 0.00 H
969
+ ATOM 968 C LYS F 27 -22.137 29.071 4.754 1.00 0.00 C
970
+ ATOM 969 CA LYS F 27 -21.807 28.096 5.901 1.00 0.00 C
971
+ ATOM 970 CB LYS F 27 -22.870 27.967 6.992 1.00 0.00 C
972
+ ATOM 971 CD LYS F 27 -23.760 26.520 8.919 1.00 0.00 C
973
+ ATOM 972 CE LYS F 27 -25.112 26.677 8.240 1.00 0.00 C
974
+ ATOM 973 CG LYS F 27 -22.608 26.821 7.971 1.00 0.00 C
975
+ ATOM 974 N LYS F 27 -20.565 28.467 6.548 1.00 0.00 N
976
+ ATOM 975 NZ LYS F 27 -26.214 25.895 8.857 1.00 0.00 N
977
+ ATOM 976 O LYS F 27 -23.243 29.064 4.227 1.00 0.00 O
978
+ ATOM 977 H LYS F 27 -20.594 29.179 7.030 1.00 0.00 H
979
+ ATOM 978 HA LYS F 27 -21.751 27.236 5.456 1.00 0.00 H
980
+ ATOM 979 HB2 LYS F 27 -22.918 28.800 7.487 1.00 0.00 H
981
+ ATOM 980 HB3 LYS F 27 -23.736 27.835 6.575 1.00 0.00 H
982
+ ATOM 981 HG2 LYS F 27 -22.404 26.019 7.465 1.00 0.00 H
983
+ ATOM 982 HG3 LYS F 27 -21.820 27.033 8.496 1.00 0.00 H
984
+ ATOM 983 HD2 LYS F 27 -23.672 25.615 9.257 1.00 0.00 H
985
+ ATOM 984 HD3 LYS F 27 -23.712 27.114 9.684 1.00 0.00 H
986
+ ATOM 985 HE2 LYS F 27 -25.356 27.616 8.246 1.00 0.00 H
987
+ ATOM 986 HE3 LYS F 27 -25.026 26.413 7.311 1.00 0.00 H
988
+ ATOM 987 HZ1 LYS F 27 -26.808 25.674 8.232 1.00 0.00 H
989
+ ATOM 988 HZ2 LYS F 27 -25.883 25.156 9.226 1.00 0.00 H
990
+ ATOM 989 HZ3 LYS F 27 -26.612 26.386 9.484 1.00 0.00 H
991
+ ATOM 990 C TRP F 28 -20.870 30.177 1.936 1.00 0.00 C
992
+ ATOM 991 CA TRP F 28 -21.294 30.827 3.246 1.00 0.00 C
993
+ ATOM 992 CB TRP F 28 -20.455 32.068 3.510 1.00 0.00 C
994
+ ATOM 993 CD1 TRP F 28 -20.690 32.622 5.991 1.00 0.00 C
995
+ ATOM 994 CD2 TRP F 28 -21.863 33.966 4.635 1.00 0.00 C
996
+ ATOM 995 CE2 TRP F 28 -22.072 34.368 5.970 1.00 0.00 C
997
+ ATOM 996 CE3 TRP F 28 -22.510 34.660 3.609 1.00 0.00 C
998
+ ATOM 997 CG TRP F 28 -20.962 32.849 4.676 1.00 0.00 C
999
+ ATOM 998 CH2 TRP F 28 -23.545 36.074 5.275 1.00 0.00 C
1000
+ ATOM 999 CZ2 TRP F 28 -22.902 35.430 6.306 1.00 0.00 C
1001
+ ATOM 1000 CZ3 TRP F 28 -23.343 35.704 3.942 1.00 0.00 C
1002
+ ATOM 1001 N TRP F 28 -21.149 29.875 4.345 1.00 0.00 N
1003
+ ATOM 1002 NE1 TRP F 28 -21.350 33.528 6.769 1.00 0.00 N
1004
+ ATOM 1003 O TRP F 28 -19.761 29.636 1.844 1.00 0.00 O
1005
+ ATOM 1004 H TRP F 28 -20.368 29.880 4.705 1.00 0.00 H
1006
+ ATOM 1005 HA TRP F 28 -22.225 31.090 3.181 1.00 0.00 H
1007
+ ATOM 1006 HB2 TRP F 28 -19.535 31.807 3.672 1.00 0.00 H
1008
+ ATOM 1007 HB3 TRP F 28 -20.455 32.631 2.720 1.00 0.00 H
1009
+ ATOM 1008 HD1 TRP F 28 -20.135 31.948 6.312 1.00 0.00 H
1010
+ ATOM 1009 HE1 TRP F 28 -21.317 33.564 7.628 1.00 0.00 H
1011
+ ATOM 1010 HE3 TRP F 28 -22.380 34.421 2.720 1.00 0.00 H
1012
+ ATOM 1011 HZ2 TRP F 28 -23.018 35.694 7.190 1.00 0.00 H
1013
+ ATOM 1012 HZ3 TRP F 28 -23.780 36.172 3.267 1.00 0.00 H
1014
+ ATOM 1013 HH2 TRP F 28 -24.128 36.772 5.469 1.00 0.00 H
1015
+ ATOM 1014 C VAL F 29 -21.679 30.766 -1.464 1.00 0.00 C
1016
+ ATOM 1015 CA VAL F 29 -21.404 29.712 -0.381 1.00 0.00 C
1017
+ ATOM 1016 CB VAL F 29 -22.114 28.368 -0.671 1.00 0.00 C
1018
+ ATOM 1017 CG1 VAL F 29 -22.717 27.727 0.564 1.00 0.00 C
1019
+ ATOM 1018 CG2 VAL F 29 -23.148 28.456 -1.774 1.00 0.00 C
1020
+ ATOM 1019 N VAL F 29 -21.744 30.246 0.931 1.00 0.00 N
1021
+ ATOM 1020 O VAL F 29 -22.621 31.525 -1.383 1.00 0.00 O
1022
+ ATOM 1021 H VAL F 29 -22.528 30.594 0.989 1.00 0.00 H
1023
+ ATOM 1022 HA VAL F 29 -20.455 29.511 -0.390 1.00 0.00 H
1024
+ ATOM 1023 HB VAL F 29 -21.401 27.790 -0.985 1.00 0.00 H
1025
+ ATOM 1024 HG11 VAL F 29 -23.146 26.892 0.319 1.00 0.00 H
1026
+ ATOM 1025 HG12 VAL F 29 -22.017 27.553 1.213 1.00 0.00 H
1027
+ ATOM 1026 HG13 VAL F 29 -23.374 28.326 0.951 1.00 0.00 H
1028
+ ATOM 1027 HG21 VAL F 29 -23.555 27.585 -1.907 1.00 0.00 H
1029
+ ATOM 1028 HG22 VAL F 29 -23.832 29.098 -1.526 1.00 0.00 H
1030
+ ATOM 1029 HG23 VAL F 29 -22.720 28.741 -2.597 1.00 0.00 H
1031
+ ATOM 1030 C ALA F 30 -21.554 30.553 -4.826 1.00 0.00 C
1032
+ ATOM 1031 CA ALA F 30 -21.060 31.522 -3.729 1.00 0.00 C
1033
+ ATOM 1032 CB ALA F 30 -19.794 32.250 -4.149 1.00 0.00 C
1034
+ ATOM 1033 N ALA F 30 -20.814 30.793 -2.483 1.00 0.00 N
1035
+ ATOM 1034 O ALA F 30 -21.066 29.413 -4.934 1.00 0.00 O
1036
+ ATOM 1035 H ALA F 30 -20.058 30.382 -2.468 1.00 0.00 H
1037
+ ATOM 1036 HA ALA F 30 -21.757 32.183 -3.590 1.00 0.00 H
1038
+ ATOM 1037 HB1 ALA F 30 -19.957 32.733 -4.974 1.00 0.00 H
1039
+ ATOM 1038 HB2 ALA F 30 -19.535 32.876 -3.455 1.00 0.00 H
1040
+ ATOM 1039 HB3 ALA F 30 -19.081 31.607 -4.287 1.00 0.00 H
1041
+ ATOM 1040 C GLN F 31 -23.503 30.980 -7.898 1.00 0.00 C
1042
+ ATOM 1041 CA GLN F 31 -23.081 30.178 -6.669 1.00 0.00 C
1043
+ ATOM 1042 CB GLN F 31 -24.324 29.491 -6.123 1.00 0.00 C
1044
+ ATOM 1043 CD GLN F 31 -25.809 27.484 -6.153 1.00 0.00 C
1045
+ ATOM 1044 CG GLN F 31 -24.702 28.223 -6.878 1.00 0.00 C
1046
+ ATOM 1045 N GLN F 31 -22.494 31.016 -5.659 1.00 0.00 N
1047
+ ATOM 1046 NE2 GLN F 31 -27.007 28.047 -6.175 1.00 0.00 N
1048
+ ATOM 1047 O GLN F 31 -24.119 32.055 -7.813 1.00 0.00 O
1049
+ ATOM 1048 OE1 GLN F 31 -25.599 26.429 -5.556 1.00 0.00 O
1050
+ ATOM 1049 H GLN F 31 -22.797 31.821 -5.643 1.00 0.00 H
1051
+ ATOM 1050 HA GLN F 31 -22.405 29.530 -6.922 1.00 0.00 H
1052
+ ATOM 1051 HB2 GLN F 31 -24.179 29.271 -5.189 1.00 0.00 H
1053
+ ATOM 1052 HB3 GLN F 31 -25.068 30.112 -6.156 1.00 0.00 H
1054
+ ATOM 1053 HG2 GLN F 31 -24.991 28.449 -7.776 1.00 0.00 H
1055
+ ATOM 1054 HG3 GLN F 31 -23.925 27.648 -6.966 1.00 0.00 H
1056
+ ATOM 1055 HE21 GLN F 31 -27.128 28.785 -6.600 1.00 0.00 H
1057
+ ATOM 1056 HE22 GLN F 31 -27.665 27.675 -5.764 1.00 0.00 H
1058
+ ATOM 1057 C TRP F 32 -23.926 30.025 -11.341 1.00 0.00 C
1059
+ ATOM 1058 CA TRP F 32 -23.563 31.052 -10.278 1.00 0.00 C
1060
+ ATOM 1059 CB TRP F 32 -22.424 31.959 -10.756 1.00 0.00 C
1061
+ ATOM 1060 CD1 TRP F 32 -20.795 30.617 -12.213 1.00 0.00 C
1062
+ ATOM 1061 CD2 TRP F 32 -20.092 30.969 -10.123 1.00 0.00 C
1063
+ ATOM 1062 CE2 TRP F 32 -19.114 30.222 -10.814 1.00 0.00 C
1064
+ ATOM 1063 CE3 TRP F 32 -19.863 31.314 -8.796 1.00 0.00 C
1065
+ ATOM 1064 CG TRP F 32 -21.163 31.213 -11.042 1.00 0.00 C
1066
+ ATOM 1065 CH2 TRP F 32 -17.721 30.204 -8.909 1.00 0.00 C
1067
+ ATOM 1066 CZ2 TRP F 32 -17.912 29.846 -10.224 1.00 0.00 C
1068
+ ATOM 1067 CZ3 TRP F 32 -18.691 30.909 -8.198 1.00 0.00 C
1069
+ ATOM 1068 N TRP F 32 -23.216 30.399 -9.055 1.00 0.00 N
1070
+ ATOM 1069 NE1 TRP F 32 -19.563 30.031 -12.088 1.00 0.00 N
1071
+ ATOM 1070 O TRP F 32 -23.570 28.836 -11.239 1.00 0.00 O
1072
+ ATOM 1071 H TRP F 32 -22.826 29.637 -9.141 1.00 0.00 H
1073
+ ATOM 1072 HA TRP F 32 -24.339 31.612 -10.118 1.00 0.00 H
1074
+ ATOM 1073 HB2 TRP F 32 -22.705 32.427 -11.557 1.00 0.00 H
1075
+ ATOM 1074 HB3 TRP F 32 -22.249 32.633 -10.080 1.00 0.00 H
1076
+ ATOM 1075 HD1 TRP F 32 -21.309 30.610 -12.988 1.00 0.00 H
1077
+ ATOM 1076 HE1 TRP F 32 -19.142 29.612 -12.710 1.00 0.00 H
1078
+ ATOM 1077 HE3 TRP F 32 -20.490 31.810 -8.321 1.00 0.00 H
1079
+ ATOM 1078 HZ2 TRP F 32 -17.266 29.373 -10.697 1.00 0.00 H
1080
+ ATOM 1079 HZ3 TRP F 32 -18.543 31.110 -7.302 1.00 0.00 H
1081
+ ATOM 1080 HH2 TRP F 32 -16.927 29.970 -8.485 1.00 0.00 H
1082
+ ATOM 1081 C ASP F 33 -23.909 29.440 -14.407 1.00 0.00 C
1083
+ ATOM 1082 CA ASP F 33 -25.084 29.797 -13.498 1.00 0.00 C
1084
+ ATOM 1083 CB ASP F 33 -26.115 30.599 -14.291 1.00 0.00 C
1085
+ ATOM 1084 CG ASP F 33 -27.478 30.658 -13.618 1.00 0.00 C
1086
+ ATOM 1085 N ASP F 33 -24.626 30.546 -12.351 1.00 0.00 N
1087
+ ATOM 1086 O ASP F 33 -22.964 30.234 -14.579 1.00 0.00 O
1088
+ ATOM 1087 OD1 ASP F 33 -27.858 29.666 -12.975 1.00 0.00 O
1089
+ ATOM 1088 OD2 ASP F 33 -28.143 31.704 -13.746 1.00 0.00 O
1090
+ ATOM 1089 H ASP F 33 -24.850 31.376 -12.379 1.00 0.00 H
1091
+ ATOM 1090 HA ASP F 33 -25.498 28.981 -13.176 1.00 0.00 H
1092
+ ATOM 1091 HB2 ASP F 33 -25.785 31.502 -14.418 1.00 0.00 H
1093
+ ATOM 1092 HB3 ASP F 33 -26.213 30.206 -15.172 1.00 0.00 H
1094
+ ATOM 1093 C THR F 34 -23.688 26.794 -16.963 1.00 0.00 C
1095
+ ATOM 1094 CA THR F 34 -23.031 27.698 -15.910 1.00 0.00 C
1096
+ ATOM 1095 CB THR F 34 -21.972 26.903 -15.133 1.00 0.00 C
1097
+ ATOM 1096 CG2 THR F 34 -22.544 25.679 -14.448 1.00 0.00 C
1098
+ ATOM 1097 N THR F 34 -24.029 28.255 -15.017 1.00 0.00 N
1099
+ ATOM 1098 O THR F 34 -24.702 26.133 -16.705 1.00 0.00 O
1100
+ ATOM 1099 OG1 THR F 34 -20.925 26.524 -16.031 1.00 0.00 O
1101
+ ATOM 1100 H THR F 34 -24.715 27.746 -14.914 1.00 0.00 H
1102
+ ATOM 1101 HA THR F 34 -22.594 28.439 -16.357 1.00 0.00 H
1103
+ ATOM 1102 HB THR F 34 -21.626 27.475 -14.430 1.00 0.00 H
1104
+ ATOM 1103 HG1 THR F 34 -20.969 26.993 -16.726 1.00 0.00 H
1105
+ ATOM 1104 HG21 THR F 34 -21.838 25.214 -13.973 1.00 0.00 H
1106
+ ATOM 1105 HG22 THR F 34 -23.231 25.951 -13.819 1.00 0.00 H
1107
+ ATOM 1106 HG23 THR F 34 -22.931 25.087 -15.112 1.00 0.00 H
1108
+ ATOM 1107 C ALA F 35 -22.442 24.580 -18.764 1.00 0.00 C
1109
+ ATOM 1108 CA ALA F 35 -23.303 25.778 -19.158 1.00 0.00 C
1110
+ ATOM 1109 CB ALA F 35 -22.955 26.313 -20.524 1.00 0.00 C
1111
+ ATOM 1110 N ALA F 35 -23.084 26.793 -18.159 1.00 0.00 N
1112
+ ATOM 1111 O ALA F 35 -21.398 24.782 -18.151 1.00 0.00 O
1113
+ ATOM 1112 H ALA F 35 -22.527 27.401 -18.403 1.00 0.00 H
1114
+ ATOM 1113 HA ALA F 35 -24.234 25.508 -19.203 1.00 0.00 H
1115
+ ATOM 1114 HB1 ALA F 35 -23.105 25.624 -21.190 1.00 0.00 H
1116
+ ATOM 1115 HB2 ALA F 35 -23.513 27.081 -20.723 1.00 0.00 H
1117
+ ATOM 1116 HB3 ALA F 35 -22.022 26.579 -20.540 1.00 0.00 H
1118
+ ATOM 1117 C VAL F 36 -22.239 21.374 -20.228 1.00 0.00 C
1119
+ ATOM 1118 CA VAL F 36 -22.110 22.137 -18.909 1.00 0.00 C
1120
+ ATOM 1119 CB VAL F 36 -22.521 21.259 -17.713 1.00 0.00 C
1121
+ ATOM 1120 CG1 VAL F 36 -21.592 20.079 -17.509 1.00 0.00 C
1122
+ ATOM 1121 CG2 VAL F 36 -22.597 22.066 -16.429 1.00 0.00 C
1123
+ ATOM 1122 N VAL F 36 -22.927 23.361 -19.027 1.00 0.00 N
1124
+ ATOM 1123 O VAL F 36 -23.321 21.337 -20.810 1.00 0.00 O
1125
+ ATOM 1124 H VAL F 36 -23.737 23.217 -19.279 1.00 0.00 H
1126
+ ATOM 1125 HA VAL F 36 -21.187 22.382 -18.740 1.00 0.00 H
1127
+ ATOM 1126 HB VAL F 36 -23.402 20.916 -17.929 1.00 0.00 H
1128
+ ATOM 1127 HG11 VAL F 36 -21.892 19.559 -16.747 1.00 0.00 H
1129
+ ATOM 1128 HG12 VAL F 36 -21.597 19.522 -18.303 1.00 0.00 H
1130
+ ATOM 1129 HG13 VAL F 36 -20.691 20.400 -17.346 1.00 0.00 H
1131
+ ATOM 1130 HG21 VAL F 36 -22.858 21.486 -15.697 1.00 0.00 H
1132
+ ATOM 1131 HG22 VAL F 36 -21.729 22.455 -16.239 1.00 0.00 H
1133
+ ATOM 1132 HG23 VAL F 36 -23.253 22.773 -16.530 1.00 0.00 H
1134
+ ATOM 1133 C PHE F 37 -19.892 19.209 -22.112 1.00 0.00 C
1135
+ ATOM 1134 CA PHE F 37 -21.152 20.067 -21.944 1.00 0.00 C
1136
+ ATOM 1135 CB PHE F 37 -21.362 21.020 -23.120 1.00 0.00 C
1137
+ ATOM 1136 CD1 PHE F 37 -19.134 21.897 -23.887 1.00 0.00 C
1138
+ ATOM 1137 CD2 PHE F 37 -20.576 23.380 -22.696 1.00 0.00 C
1139
+ ATOM 1138 CE1 PHE F 37 -18.197 22.911 -24.008 1.00 0.00 C
1140
+ ATOM 1139 CE2 PHE F 37 -19.634 24.390 -22.814 1.00 0.00 C
1141
+ ATOM 1140 CG PHE F 37 -20.336 22.120 -23.232 1.00 0.00 C
1142
+ ATOM 1141 CZ PHE F 37 -18.447 24.155 -23.470 1.00 0.00 C
1143
+ ATOM 1142 N PHE F 37 -21.124 20.813 -20.706 1.00 0.00 N
1144
+ ATOM 1143 O PHE F 37 -18.884 19.351 -21.407 1.00 0.00 O
1145
+ ATOM 1144 H PHE F 37 -20.354 20.857 -20.326 1.00 0.00 H
1146
+ ATOM 1145 HA PHE F 37 -21.900 19.450 -21.920 1.00 0.00 H
1147
+ ATOM 1146 HB2 PHE F 37 -21.357 20.505 -23.942 1.00 0.00 H
1148
+ ATOM 1147 HB3 PHE F 37 -22.241 21.422 -23.042 1.00 0.00 H
1149
+ ATOM 1148 HD1 PHE F 37 -18.955 21.059 -24.248 1.00 0.00 H
1150
+ ATOM 1149 HD2 PHE F 37 -21.377 23.547 -22.254 1.00 0.00 H
1151
+ ATOM 1150 HE1 PHE F 37 -17.397 22.751 -24.454 1.00 0.00 H
1152
+ ATOM 1151 HE2 PHE F 37 -19.804 25.228 -22.449 1.00 0.00 H
1153
+ ATOM 1152 HZ PHE F 37 -17.816 24.833 -23.550 1.00 0.00 H
1154
+ ATOM 1153 C HIS F 38 -18.219 18.020 -24.671 1.00 0.00 C
1155
+ ATOM 1154 CA HIS F 38 -18.947 17.389 -23.476 1.00 0.00 C
1156
+ ATOM 1155 CB HIS F 38 -19.566 16.030 -23.826 1.00 0.00 C
1157
+ ATOM 1156 CD2 HIS F 38 -17.780 14.251 -23.270 1.00 0.00 C
1158
+ ATOM 1157 CE1 HIS F 38 -17.348 13.619 -25.325 1.00 0.00 C
1159
+ ATOM 1158 CG HIS F 38 -18.563 14.968 -24.102 1.00 0.00 C
1160
+ ATOM 1159 N HIS F 38 -20.008 18.277 -23.054 1.00 0.00 N
1161
+ ATOM 1160 ND1 HIS F 38 -18.270 14.554 -25.380 1.00 0.00 N
1162
+ ATOM 1161 NE2 HIS F 38 -17.031 13.415 -24.044 1.00 0.00 N
1163
+ ATOM 1162 O HIS F 38 -18.848 18.694 -25.472 1.00 0.00 O
1164
+ ATOM 1163 H HIS F 38 -20.743 18.144 -23.480 1.00 0.00 H
1165
+ ATOM 1164 HA HIS F 38 -18.294 17.252 -22.772 1.00 0.00 H
1166
+ ATOM 1165 HB2 HIS F 38 -20.134 15.744 -23.093 1.00 0.00 H
1167
+ ATOM 1166 HB3 HIS F 38 -20.137 16.134 -24.603 1.00 0.00 H
1168
+ ATOM 1167 HD1 HIS F 38 -18.631 14.858 -26.099 1.00 0.00 H
1169
+ ATOM 1168 HD2 HIS F 38 -17.756 14.315 -22.343 1.00 0.00 H
1170
+ ATOM 1169 HE1 HIS F 38 -16.979 13.175 -26.054 1.00 0.00 H
1171
+ ATOM 1170 HE2 HIS F 38 -16.451 12.850 -23.755 1.00 0.00 H
1172
+ ATOM 1171 C THR F 39 -15.647 17.333 -26.893 1.00 0.00 C
1173
+ ATOM 1172 CA THR F 39 -16.117 18.402 -25.890 1.00 0.00 C
1174
+ ATOM 1173 CB THR F 39 -14.968 19.228 -25.297 1.00 0.00 C
1175
+ ATOM 1174 CG2 THR F 39 -15.445 20.406 -24.476 1.00 0.00 C
1176
+ ATOM 1175 N THR F 39 -16.909 17.783 -24.802 1.00 0.00 N
1177
+ ATOM 1176 O THR F 39 -14.948 16.373 -26.544 1.00 0.00 O
1178
+ ATOM 1177 OG1 THR F 39 -14.201 18.360 -24.461 1.00 0.00 O
1179
+ ATOM 1178 H THR F 39 -16.457 17.272 -24.278 1.00 0.00 H
1180
+ ATOM 1179 HA THR F 39 -16.674 19.017 -26.393 1.00 0.00 H
1181
+ ATOM 1180 HB THR F 39 -14.447 19.591 -26.030 1.00 0.00 H
1182
+ ATOM 1181 HG1 THR F 39 -14.249 17.574 -24.754 1.00 0.00 H
1183
+ ATOM 1182 HG21 THR F 39 -14.679 20.889 -24.128 1.00 0.00 H
1184
+ ATOM 1183 HG22 THR F 39 -15.973 20.997 -25.035 1.00 0.00 H
1185
+ ATOM 1184 HG23 THR F 39 -15.988 20.088 -23.738 1.00 0.00 H
1186
+ TER 1185 THR F 39
1187
+ END
6a87/6a87_rdkit_ligand.pdb ADDED
@@ -0,0 +1,77 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6a87_ligand
2
+ HETATM 1 C1 UNL 1 -2.770 -0.399 -1.312 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -3.261 0.210 -0.034 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -2.202 0.871 0.766 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 -1.003 -0.126 0.803 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -0.541 -0.207 -0.590 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 0.743 -0.842 -0.950 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -5.599 1.148 0.123 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 -6.613 2.182 -0.218 1.00 0.00 C
10
+ HETATM 9 N1 UNL 1 -4.273 1.213 -0.356 1.00 0.00 N
11
+ HETATM 10 O1 UNL 1 -2.617 1.110 2.065 1.00 0.00 O
12
+ HETATM 11 O2 UNL 1 -0.116 0.327 1.760 1.00 0.00 O
13
+ HETATM 12 O3 UNL 1 -1.542 -0.928 -1.287 1.00 0.00 O
14
+ HETATM 13 O4 UNL 1 1.921 -0.479 -0.523 1.00 0.00 O
15
+ HETATM 14 O5 UNL 1 -5.884 0.157 0.864 1.00 0.00 O
16
+ HETATM 15 C9 UNL 1 2.491 -0.566 0.663 1.00 0.00 C
17
+ HETATM 16 C10 UNL 1 3.858 -1.285 0.629 1.00 0.00 C
18
+ HETATM 17 C11 UNL 1 4.587 -0.799 -0.579 1.00 0.00 C
19
+ HETATM 18 C12 UNL 1 4.273 0.636 -0.825 1.00 0.00 C
20
+ HETATM 19 C13 UNL 1 3.711 1.389 0.328 1.00 0.00 C
21
+ HETATM 20 C14 UNL 1 4.775 1.983 1.226 1.00 0.00 C
22
+ HETATM 21 O6 UNL 1 3.702 -2.656 0.664 1.00 0.00 O
23
+ HETATM 22 O7 UNL 1 5.978 -1.018 -0.452 1.00 0.00 O
24
+ HETATM 23 O8 UNL 1 5.399 1.356 -1.274 1.00 0.00 O
25
+ HETATM 24 O9 UNL 1 2.816 0.723 1.117 1.00 0.00 O
26
+ HETATM 25 C15 UNL 1 -3.828 -3.003 -0.510 1.00 0.00 C
27
+ HETATM 26 S1 UNL 1 -3.948 -1.706 -1.774 1.00 0.00 S
28
+ HETATM 27 H1 UNL 1 -2.827 0.376 -2.131 1.00 0.00 H
29
+ HETATM 28 H2 UNL 1 -3.767 -0.539 0.617 1.00 0.00 H
30
+ HETATM 29 H3 UNL 1 -1.880 1.813 0.280 1.00 0.00 H
31
+ HETATM 30 H4 UNL 1 -1.448 -1.095 1.108 1.00 0.00 H
32
+ HETATM 31 H5 UNL 1 -0.569 0.807 -1.116 1.00 0.00 H
33
+ HETATM 32 H6 UNL 1 0.568 -1.986 -0.853 1.00 0.00 H
34
+ HETATM 33 H7 UNL 1 0.793 -0.800 -2.115 1.00 0.00 H
35
+ HETATM 34 H8 UNL 1 -7.581 1.842 0.192 1.00 0.00 H
36
+ HETATM 35 H9 UNL 1 -6.343 3.098 0.361 1.00 0.00 H
37
+ HETATM 36 H10 UNL 1 -6.659 2.401 -1.291 1.00 0.00 H
38
+ HETATM 37 H11 UNL 1 -4.011 2.024 -0.970 1.00 0.00 H
39
+ HETATM 38 H12 UNL 1 -2.932 0.234 2.425 1.00 0.00 H
40
+ HETATM 39 H13 UNL 1 -0.610 0.518 2.577 1.00 0.00 H
41
+ HETATM 40 H14 UNL 1 1.966 -1.060 1.503 1.00 0.00 H
42
+ HETATM 41 H15 UNL 1 4.393 -0.982 1.543 1.00 0.00 H
43
+ HETATM 42 H16 UNL 1 4.289 -1.457 -1.443 1.00 0.00 H
44
+ HETATM 43 H17 UNL 1 3.545 0.723 -1.685 1.00 0.00 H
45
+ HETATM 44 H18 UNL 1 3.161 2.279 -0.102 1.00 0.00 H
46
+ HETATM 45 H19 UNL 1 4.348 2.241 2.217 1.00 0.00 H
47
+ HETATM 46 H20 UNL 1 5.622 1.308 1.407 1.00 0.00 H
48
+ HETATM 47 H21 UNL 1 5.152 2.956 0.803 1.00 0.00 H
49
+ HETATM 48 H22 UNL 1 3.933 -3.049 1.551 1.00 0.00 H
50
+ HETATM 49 H23 UNL 1 6.052 -1.811 0.160 1.00 0.00 H
51
+ HETATM 50 H24 UNL 1 6.203 0.794 -1.292 1.00 0.00 H
52
+ HETATM 51 H25 UNL 1 -4.347 -2.724 0.429 1.00 0.00 H
53
+ HETATM 52 H26 UNL 1 -4.317 -3.947 -0.852 1.00 0.00 H
54
+ HETATM 53 H27 UNL 1 -2.792 -3.258 -0.254 1.00 0.00 H
55
+ CONECT 1 2 12 26 27
56
+ CONECT 2 3 9 28
57
+ CONECT 3 4 10 29
58
+ CONECT 4 5 11 30
59
+ CONECT 5 6 12 31
60
+ CONECT 6 13 32 33
61
+ CONECT 7 8 9 14 14
62
+ CONECT 8 34 35 36
63
+ CONECT 9 37
64
+ CONECT 10 38
65
+ CONECT 11 39
66
+ CONECT 13 15
67
+ CONECT 15 16 24 40
68
+ CONECT 16 17 21 41
69
+ CONECT 17 18 22 42
70
+ CONECT 18 19 23 43
71
+ CONECT 19 20 24 44
72
+ CONECT 20 45 46 47
73
+ CONECT 21 48
74
+ CONECT 22 49
75
+ CONECT 23 50
76
+ CONECT 25 26 51 52 53
77
+ END
6agt/6agt_ligand.mol2 ADDED
@@ -0,0 +1,98 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:11:54 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6agt_ligand
7
+ 40 42 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C10 -5.6650 -2.5510 32.2060 C.ar 1 MOL 0.1476
14
+ 2 C16 -3.3980 0.2960 27.6430 C.3 1 MOL -0.0208
15
+ 3 C15 -4.9000 0.0530 27.5710 C.3 1 MOL 0.0337
16
+ 4 C21 -2.6500 -1.0070 27.7480 C.3 1 MOL -0.0484
17
+ 5 C20 -1.2040 -0.7520 27.9360 C.3 1 MOL -0.0527
18
+ 6 C19 -0.7010 0.0290 26.7680 C.3 1 MOL -0.0530
19
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+
6agt/6agt_ligand.sdf ADDED
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1
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+ M END
88
+ $$$$
6agt/6agt_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6agt/6agt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6agt/6agt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6agt/6agt_rdkit_ligand.pdb ADDED
@@ -0,0 +1,60 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6agt_ligand
2
+ HETATM 1 C1 UNL 1 3.885 -0.363 -0.831 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -2.617 -0.647 0.184 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -1.806 -1.006 1.412 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 -3.989 -1.225 0.368 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -5.048 -0.563 -0.458 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 -5.004 0.940 -0.280 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -3.665 1.375 -0.874 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 -2.602 0.847 0.052 1.00 0.00 C
10
+ HETATM 9 N1 UNL 1 -0.444 -0.502 1.362 1.00 0.00 N
11
+ HETATM 10 C9 UNL 1 0.475 -0.866 0.352 1.00 0.00 C
12
+ HETATM 11 O1 UNL 1 0.073 -1.674 -0.546 1.00 0.00 O
13
+ HETATM 12 C10 UNL 1 1.850 -0.389 0.254 1.00 0.00 C
14
+ HETATM 13 O2 UNL 1 2.647 -0.773 -0.716 1.00 0.00 O
15
+ HETATM 14 C11 UNL 1 4.705 -0.787 -1.870 1.00 0.00 C
16
+ HETATM 15 C12 UNL 1 6.010 -0.351 -1.984 1.00 0.00 C
17
+ HETATM 16 C13 UNL 1 6.550 0.522 -1.072 1.00 0.00 C
18
+ HETATM 17 C14 UNL 1 5.762 0.958 -0.035 1.00 0.00 C
19
+ HETATM 18 C15 UNL 1 4.464 0.517 0.069 1.00 0.00 C
20
+ HETATM 19 C16 UNL 1 3.676 0.946 1.098 1.00 0.00 C
21
+ HETATM 20 O3 UNL 1 4.171 1.747 1.934 1.00 0.00 O
22
+ HETATM 21 C17 UNL 1 2.386 0.484 1.169 1.00 0.00 C
23
+ HETATM 22 H1 UNL 1 -2.168 -1.074 -0.735 1.00 0.00 H
24
+ HETATM 23 H2 UNL 1 -2.291 -0.585 2.315 1.00 0.00 H
25
+ HETATM 24 H3 UNL 1 -1.809 -2.124 1.578 1.00 0.00 H
26
+ HETATM 25 H4 UNL 1 -3.946 -2.294 0.068 1.00 0.00 H
27
+ HETATM 26 H5 UNL 1 -4.313 -1.221 1.430 1.00 0.00 H
28
+ HETATM 27 H6 UNL 1 -4.993 -0.805 -1.533 1.00 0.00 H
29
+ HETATM 28 H7 UNL 1 -6.034 -0.896 -0.072 1.00 0.00 H
30
+ HETATM 29 H8 UNL 1 -5.849 1.436 -0.752 1.00 0.00 H
31
+ HETATM 30 H9 UNL 1 -4.930 1.168 0.809 1.00 0.00 H
32
+ HETATM 31 H10 UNL 1 -3.568 2.458 -0.940 1.00 0.00 H
33
+ HETATM 32 H11 UNL 1 -3.603 0.853 -1.864 1.00 0.00 H
34
+ HETATM 33 H12 UNL 1 -2.734 1.339 1.044 1.00 0.00 H
35
+ HETATM 34 H13 UNL 1 -1.620 1.154 -0.362 1.00 0.00 H
36
+ HETATM 35 H14 UNL 1 -0.096 0.165 2.095 1.00 0.00 H
37
+ HETATM 36 H15 UNL 1 4.334 -1.463 -2.601 1.00 0.00 H
38
+ HETATM 37 H16 UNL 1 6.637 -0.690 -2.799 1.00 0.00 H
39
+ HETATM 38 H17 UNL 1 7.568 0.891 -1.122 1.00 0.00 H
40
+ HETATM 39 H18 UNL 1 6.148 1.654 0.717 1.00 0.00 H
41
+ HETATM 40 H19 UNL 1 1.790 0.841 1.992 1.00 0.00 H
42
+ CONECT 1 13 14 14 18
43
+ CONECT 2 3 4 8 22
44
+ CONECT 3 9 23 24
45
+ CONECT 4 5 25 26
46
+ CONECT 5 6 27 28
47
+ CONECT 6 7 29 30
48
+ CONECT 7 8 31 32
49
+ CONECT 8 33 34
50
+ CONECT 9 10 35
51
+ CONECT 10 11 11 12
52
+ CONECT 12 13 21 21
53
+ CONECT 14 15 36
54
+ CONECT 15 16 16 37
55
+ CONECT 16 17 38
56
+ CONECT 17 18 18 39
57
+ CONECT 18 19
58
+ CONECT 19 20 20 21
59
+ CONECT 21 40
60
+ END
6ahs/6ahs_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:12:36 2021
3
+ ###
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+
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+
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+
6ahs/6ahs_ligand.sdf ADDED
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1
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+ ATOM 5 N ASP A 1 40.078 4.076 78.394 1.00 60.99 N
6
+ ATOM 6 O ASP A 1 36.948 5.808 77.921 1.00 60.99 O
7
+ ATOM 7 OD1 ASP A 1 39.087 4.536 81.615 1.00 60.99 O
8
+ ATOM 8 OD2 ASP A 1 39.823 6.578 81.923 1.00 60.99 O
9
+ ATOM 9 C ASP A 2 36.416 4.382 74.978 1.00 92.12 C
10
+ ATOM 10 CA ASP A 2 37.599 5.298 75.286 1.00 92.12 C
11
+ ATOM 11 CB ASP A 2 38.598 5.273 74.127 1.00 92.12 C
12
+ ATOM 12 CG ASP A 2 38.076 5.962 72.878 1.00 92.12 C
13
+ ATOM 13 N ASP A 2 38.251 4.911 76.532 1.00 92.12 N
14
+ ATOM 14 O ASP A 2 35.343 4.851 74.594 1.00 92.12 O
15
+ ATOM 15 OD1 ASP A 2 36.856 6.223 72.792 1.00 92.12 O
16
+ ATOM 16 OD2 ASP A 2 38.889 6.242 71.972 1.00 92.12 O
17
+ ATOM 17 C ASP A 3 34.206 2.528 75.978 1.00 95.84 C
18
+ ATOM 18 CA ASP A 3 35.475 2.243 75.176 1.00 95.84 C
19
+ ATOM 19 CB ASP A 3 35.956 0.815 75.442 1.00 95.84 C
20
+ ATOM 20 CG ASP A 3 37.027 0.360 74.466 1.00 95.84 C
21
+ ATOM 21 N ASP A 3 36.524 3.205 75.496 1.00 95.84 N
22
+ ATOM 22 O ASP A 3 33.097 2.436 75.447 1.00 95.84 O
23
+ ATOM 23 OD1 ASP A 3 36.889 0.609 73.250 1.00 95.84 O
24
+ ATOM 24 OD2 ASP A 3 38.016 -0.257 74.919 1.00 95.84 O
25
+ ATOM 25 C GLN A 4 32.610 4.480 77.546 1.00 96.55 C
26
+ ATOM 26 CA GLN A 4 33.325 3.236 78.067 1.00 96.55 C
27
+ ATOM 27 CB GLN A 4 33.788 3.462 79.507 1.00 96.55 C
28
+ ATOM 28 CD GLN A 4 31.627 2.738 80.609 1.00 96.55 C
29
+ ATOM 29 CG GLN A 4 32.664 3.836 80.463 1.00 96.55 C
30
+ ATOM 30 N GLN A 4 34.455 2.884 77.214 1.00 96.55 N
31
+ ATOM 31 NE2 GLN A 4 30.380 3.054 80.278 1.00 96.55 N
32
+ ATOM 32 O GLN A 4 31.379 4.549 77.564 1.00 96.55 O
33
+ ATOM 33 OE1 GLN A 4 31.944 1.615 81.014 1.00 96.55 O
34
+ ATOM 34 C VAL A 5 32.011 6.363 75.310 1.00 97.22 C
35
+ ATOM 35 CA VAL A 5 32.791 6.660 76.589 1.00 97.22 C
36
+ ATOM 36 CB VAL A 5 33.895 7.704 76.309 1.00 97.22 C
37
+ ATOM 37 CG1 VAL A 5 33.346 8.859 75.473 1.00 97.22 C
38
+ ATOM 38 CG2 VAL A 5 34.484 8.222 77.620 1.00 97.22 C
39
+ ATOM 39 N VAL A 5 33.348 5.423 77.127 1.00 97.22 N
40
+ ATOM 40 O VAL A 5 30.885 6.837 75.138 1.00 97.22 O
41
+ ATOM 41 C ALA A 6 30.617 4.400 73.503 1.00 97.67 C
42
+ ATOM 42 CA ALA A 6 31.907 5.166 73.222 1.00 97.67 C
43
+ ATOM 43 CB ALA A 6 32.848 4.322 72.365 1.00 97.67 C
44
+ ATOM 44 N ALA A 6 32.567 5.558 74.466 1.00 97.67 N
45
+ ATOM 45 O ALA A 6 29.591 4.648 72.864 1.00 97.67 O
46
+ ATOM 46 C PHE A 7 28.465 3.677 75.367 1.00 98.11 C
47
+ ATOM 47 CA PHE A 7 29.570 2.750 74.875 1.00 98.11 C
48
+ ATOM 48 CB PHE A 7 29.951 1.755 75.975 1.00 98.11 C
49
+ ATOM 49 CD1 PHE A 7 28.078 1.091 77.520 1.00 98.11 C
50
+ ATOM 50 CD2 PHE A 7 28.522 -0.282 75.613 1.00 98.11 C
51
+ ATOM 51 CE1 PHE A 7 27.039 0.242 77.895 1.00 98.11 C
52
+ ATOM 52 CE2 PHE A 7 27.485 -1.134 75.981 1.00 98.11 C
53
+ ATOM 53 CG PHE A 7 28.828 0.836 76.378 1.00 98.11 C
54
+ ATOM 54 CZ PHE A 7 26.745 -0.871 77.122 1.00 98.11 C
55
+ ATOM 55 N PHE A 7 30.736 3.515 74.449 1.00 98.11 N
56
+ ATOM 56 O PHE A 7 27.327 3.596 74.901 1.00 98.11 O
57
+ ATOM 57 C SER A 8 27.231 6.484 75.665 1.00 98.26 C
58
+ ATOM 58 CA SER A 8 27.828 5.607 76.762 1.00 98.26 C
59
+ ATOM 59 CB SER A 8 28.505 6.484 77.815 1.00 98.26 C
60
+ ATOM 60 N SER A 8 28.776 4.644 76.211 1.00 98.26 N
61
+ ATOM 61 O SER A 8 26.040 6.800 75.696 1.00 98.26 O
62
+ ATOM 62 OG SER A 8 28.842 5.722 78.962 1.00 98.26 O
63
+ ATOM 63 C PHE A 9 26.521 6.923 72.789 1.00 98.09 C
64
+ ATOM 64 CA PHE A 9 27.589 7.642 73.605 1.00 98.09 C
65
+ ATOM 65 CB PHE A 9 28.766 8.028 72.705 1.00 98.09 C
66
+ ATOM 66 CD1 PHE A 9 28.159 8.374 70.288 1.00 98.09 C
67
+ ATOM 67 CD2 PHE A 9 28.245 10.283 71.725 1.00 98.09 C
68
+ ATOM 68 CE1 PHE A 9 27.803 9.190 69.217 1.00 98.09 C
69
+ ATOM 69 CE2 PHE A 9 27.890 11.105 70.660 1.00 98.09 C
70
+ ATOM 70 CG PHE A 9 28.382 8.913 71.549 1.00 98.09 C
71
+ ATOM 71 CZ PHE A 9 27.671 10.557 69.406 1.00 98.09 C
72
+ ATOM 72 N PHE A 9 28.042 6.808 74.712 1.00 98.09 N
73
+ ATOM 73 O PHE A 9 25.499 7.515 72.436 1.00 98.09 O
74
+ ATOM 74 C ILE A 10 24.412 4.835 72.503 1.00 98.21 C
75
+ ATOM 75 CA ILE A 10 25.722 4.944 71.726 1.00 98.21 C
76
+ ATOM 76 CB ILE A 10 26.273 3.537 71.402 1.00 98.21 C
77
+ ATOM 77 CD1 ILE A 10 28.180 2.325 70.194 1.00 98.21 C
78
+ ATOM 78 CG1 ILE A 10 27.429 3.634 70.399 1.00 98.21 C
79
+ ATOM 79 CG2 ILE A 10 25.159 2.631 70.869 1.00 98.21 C
80
+ ATOM 80 N ILE A 10 26.685 5.730 72.490 1.00 98.21 N
81
+ ATOM 81 O ILE A 10 23.335 5.074 71.952 1.00 98.21 O
82
+ ATOM 82 C LEU A 11 22.524 5.691 74.646 1.00 98.63 C
83
+ ATOM 83 CA LEU A 11 23.280 4.368 74.586 1.00 98.63 C
84
+ ATOM 84 CB LEU A 11 23.639 3.907 76.001 1.00 98.63 C
85
+ ATOM 85 CD1 LEU A 11 24.354 2.107 77.593 1.00 98.63 C
86
+ ATOM 86 CD2 LEU A 11 23.411 1.494 75.350 1.00 98.63 C
87
+ ATOM 87 CG LEU A 11 24.244 2.509 76.125 1.00 98.63 C
88
+ ATOM 88 N LEU A 11 24.482 4.491 73.769 1.00 98.63 N
89
+ ATOM 89 O LEU A 11 21.296 5.714 74.549 1.00 98.63 O
90
+ ATOM 90 C ASP A 12 21.875 8.441 73.579 1.00 98.68 C
91
+ ATOM 91 CA ASP A 12 22.602 8.117 74.883 1.00 98.68 C
92
+ ATOM 92 CB ASP A 12 23.638 9.201 75.190 1.00 98.68 C
93
+ ATOM 93 CG ASP A 12 23.013 10.560 75.454 1.00 98.68 C
94
+ ATOM 94 N ASP A 12 23.238 6.805 74.817 1.00 98.68 N
95
+ ATOM 95 O ASP A 12 20.771 8.988 73.597 1.00 98.68 O
96
+ ATOM 96 OD1 ASP A 12 22.331 10.727 76.487 1.00 98.68 O
97
+ ATOM 97 OD2 ASP A 12 23.202 11.471 74.619 1.00 98.68 O
98
+ ATOM 98 C ASN A 13 20.551 7.473 71.032 1.00 98.37 C
99
+ ATOM 99 CA ASN A 13 21.825 8.304 71.157 1.00 98.37 C
100
+ ATOM 100 CB ASN A 13 22.793 7.968 70.021 1.00 98.37 C
101
+ ATOM 101 CG ASN A 13 23.790 9.079 69.755 1.00 98.37 C
102
+ ATOM 102 N ASN A 13 22.467 8.108 72.452 1.00 98.37 N
103
+ ATOM 103 ND2 ASN A 13 24.984 8.709 69.309 1.00 98.37 N
104
+ ATOM 104 O ASN A 13 19.547 7.946 70.497 1.00 98.37 O
105
+ ATOM 105 OD1 ASN A 13 23.490 10.259 69.950 1.00 98.37 O
106
+ ATOM 106 C ILE A 14 18.281 6.052 72.239 1.00 98.67 C
107
+ ATOM 107 CA ILE A 14 19.417 5.396 71.458 1.00 98.67 C
108
+ ATOM 108 CB ILE A 14 19.719 3.992 72.028 1.00 98.67 C
109
+ ATOM 109 CD1 ILE A 14 21.183 1.917 71.684 1.00 98.67 C
110
+ ATOM 110 CG1 ILE A 14 20.704 3.247 71.119 1.00 98.67 C
111
+ ATOM 111 CG2 ILE A 14 18.425 3.192 72.206 1.00 98.67 C
112
+ ATOM 112 N ILE A 14 20.598 6.251 71.494 1.00 98.67 N
113
+ ATOM 113 O ILE A 14 17.153 6.139 71.750 1.00 98.67 O
114
+ ATOM 114 C VAL A 15 17.027 8.472 73.612 1.00 98.83 C
115
+ ATOM 115 CA VAL A 15 17.556 7.201 74.270 1.00 98.83 C
116
+ ATOM 116 CB VAL A 15 18.112 7.519 75.676 1.00 98.83 C
117
+ ATOM 117 CG1 VAL A 15 17.073 8.266 76.511 1.00 98.83 C
118
+ ATOM 118 CG2 VAL A 15 18.546 6.236 76.381 1.00 98.83 C
119
+ ATOM 119 N VAL A 15 18.571 6.589 73.419 1.00 98.83 N
120
+ ATOM 120 O VAL A 15 15.817 8.630 73.436 1.00 98.83 O
121
+ ATOM 121 C THR A 16 16.893 10.693 71.316 1.00 98.62 C
122
+ ATOM 122 CA THR A 16 17.492 10.706 72.720 1.00 98.62 C
123
+ ATOM 123 CB THR A 16 18.696 11.665 72.759 1.00 98.62 C
124
+ ATOM 124 CG2 THR A 16 19.156 11.912 74.191 1.00 98.62 C
125
+ ATOM 125 N THR A 16 17.873 9.360 73.132 1.00 98.62 N
126
+ ATOM 126 O THR A 16 15.922 11.401 71.043 1.00 98.62 O
127
+ ATOM 127 OG1 THR A 16 19.777 11.094 72.012 1.00 98.62 O
128
+ ATOM 128 C GLN A 17 15.908 8.857 68.707 1.00 98.38 C
129
+ ATOM 129 CA GLN A 17 16.981 9.891 69.036 1.00 98.38 C
130
+ ATOM 130 CB GLN A 17 18.201 9.687 68.135 1.00 98.38 C
131
+ ATOM 131 CD GLN A 17 18.876 12.125 68.225 1.00 98.38 C
132
+ ATOM 132 CG GLN A 17 19.324 10.684 68.386 1.00 98.38 C
133
+ ATOM 133 N GLN A 17 17.365 9.821 70.442 1.00 98.38 N
134
+ ATOM 134 NE2 GLN A 17 19.208 12.961 69.202 1.00 98.38 N
135
+ ATOM 135 O GLN A 17 15.199 8.987 67.707 1.00 98.38 O
136
+ ATOM 136 OE1 GLN A 17 18.239 12.483 67.230 1.00 98.38 O
137
+ ATOM 137 C LYS A 18 13.819 6.601 70.156 1.00 98.56 C
138
+ ATOM 138 CA LYS A 18 14.935 6.718 69.123 1.00 98.56 C
139
+ ATOM 139 CB LYS A 18 15.683 5.389 69.008 1.00 98.56 C
140
+ ATOM 140 CD LYS A 18 16.268 5.436 66.559 1.00 98.56 C
141
+ ATOM 141 CE LYS A 18 17.383 5.277 65.534 1.00 98.56 C
142
+ ATOM 142 CG LYS A 18 16.809 5.399 67.983 1.00 98.56 C
143
+ ATOM 143 N LYS A 18 15.857 7.797 69.465 1.00 98.56 N
144
+ ATOM 144 NZ LYS A 18 16.848 4.905 64.190 1.00 98.56 N
145
+ ATOM 145 O LYS A 18 12.643 6.783 69.831 1.00 98.56 O
146
+ ATOM 146 C MET A 19 12.285 7.417 72.724 1.00 98.82 C
147
+ ATOM 147 CA MET A 19 13.123 6.173 72.445 1.00 98.82 C
148
+ ATOM 148 CB MET A 19 13.797 5.698 73.733 1.00 98.82 C
149
+ ATOM 149 CE MET A 19 14.310 3.828 76.345 1.00 98.82 C
150
+ ATOM 150 CG MET A 19 14.489 4.351 73.601 1.00 98.82 C
151
+ ATOM 151 N MET A 19 14.119 6.436 71.411 1.00 98.82 N
152
+ ATOM 152 O MET A 19 11.056 7.343 72.781 1.00 98.82 O
153
+ ATOM 153 SD MET A 19 15.562 3.968 75.040 1.00 98.82 S
154
+ ATOM 154 C MET A 20 11.398 10.279 71.843 1.00 98.65 C
155
+ ATOM 155 CA MET A 20 12.188 9.831 73.069 1.00 98.65 C
156
+ ATOM 156 CB MET A 20 13.157 10.933 73.497 1.00 98.65 C
157
+ ATOM 157 CE MET A 20 15.039 11.723 77.162 1.00 98.65 C
158
+ ATOM 158 CG MET A 20 13.728 10.738 74.893 1.00 98.65 C
159
+ ATOM 159 N MET A 20 12.906 8.589 72.800 1.00 98.65 N
160
+ ATOM 160 O MET A 20 10.504 11.119 71.948 1.00 98.65 O
161
+ ATOM 161 SD MET A 20 14.820 12.121 75.405 1.00 98.65 S
162
+ ATOM 162 C ALA A 21 9.693 9.267 69.278 1.00 98.61 C
163
+ ATOM 163 CA ALA A 21 10.961 10.095 69.464 1.00 98.61 C
164
+ ATOM 164 CB ALA A 21 11.892 9.914 68.268 1.00 98.61 C
165
+ ATOM 165 N ALA A 21 11.646 9.735 70.703 1.00 98.61 N
166
+ ATOM 166 O ALA A 21 8.892 9.540 68.382 1.00 98.61 O
167
+ ATOM 167 C VAL A 22 7.044 8.426 70.248 1.00 98.70 C
168
+ ATOM 168 CA VAL A 22 8.254 7.520 70.031 1.00 98.70 C
169
+ ATOM 169 CB VAL A 22 8.256 6.376 71.070 1.00 98.70 C
170
+ ATOM 170 CG1 VAL A 22 6.880 5.717 71.150 1.00 98.70 C
171
+ ATOM 171 CG2 VAL A 22 9.328 5.344 70.725 1.00 98.70 C
172
+ ATOM 172 N VAL A 22 9.481 8.308 70.098 1.00 98.70 N
173
+ ATOM 173 O VAL A 22 7.020 9.226 71.187 1.00 98.70 O
174
+ ATOM 174 C PRO A 23 4.202 8.929 71.036 1.00 98.51 C
175
+ ATOM 175 CA PRO A 23 4.824 9.112 69.654 1.00 98.51 C
176
+ ATOM 176 CB PRO A 23 3.877 8.614 68.559 1.00 98.51 C
177
+ ATOM 177 CD PRO A 23 5.963 7.445 68.115 1.00 98.51 C
178
+ ATOM 178 CG PRO A 23 4.777 8.109 67.477 1.00 98.51 C
179
+ ATOM 179 N PRO A 23 6.023 8.293 69.461 1.00 98.51 N
180
+ ATOM 180 O PRO A 23 4.137 7.807 71.546 1.00 98.51 O
181
+ ATOM 181 C ASP A 24 4.001 9.567 74.068 1.00 98.10 C
182
+ ATOM 182 CA ASP A 24 3.132 10.083 72.925 1.00 98.10 C
183
+ ATOM 183 CB ASP A 24 1.835 9.276 72.844 1.00 98.10 C
184
+ ATOM 184 CG ASP A 24 0.842 9.846 71.846 1.00 98.10 C
185
+ ATOM 185 N ASP A 24 3.848 10.028 71.654 1.00 98.10 N
186
+ ATOM 186 O ASP A 24 3.487 9.162 75.113 1.00 98.10 O
187
+ ATOM 187 OD1 ASP A 24 0.673 11.083 71.793 1.00 98.10 O
188
+ ATOM 188 OD2 ASP A 24 0.221 9.050 71.109 1.00 98.10 O
189
+ ATOM 189 C SER A 25 6.569 10.124 75.914 1.00 98.61 C
190
+ ATOM 190 CA SER A 25 6.271 9.071 74.852 1.00 98.61 C
191
+ ATOM 191 CB SER A 25 7.575 8.603 74.205 1.00 98.61 C
192
+ ATOM 192 N SER A 25 5.354 9.586 73.840 1.00 98.61 N
193
+ ATOM 193 O SER A 25 7.185 9.822 76.939 1.00 98.61 O
194
+ ATOM 194 OG SER A 25 8.241 9.683 73.576 1.00 98.61 O
195
+ ATOM 195 C TRP A 26 6.206 12.226 78.143 1.00 98.25 C
196
+ ATOM 196 CA TRP A 26 6.463 12.479 76.661 1.00 98.25 C
197
+ ATOM 197 CB TRP A 26 5.720 13.738 76.207 1.00 98.25 C
198
+ ATOM 198 CD1 TRP A 26 3.285 13.323 75.509 1.00 98.25 C
199
+ ATOM 199 CD2 TRP A 26 3.537 13.996 77.630 1.00 98.25 C
200
+ ATOM 200 CE2 TRP A 26 2.161 13.806 77.376 1.00 98.25 C
201
+ ATOM 201 CE3 TRP A 26 3.940 14.420 78.903 1.00 98.25 C
202
+ ATOM 202 CG TRP A 26 4.238 13.680 76.423 1.00 98.25 C
203
+ ATOM 203 CH2 TRP A 26 1.606 14.441 79.587 1.00 98.25 C
204
+ ATOM 204 CZ2 TRP A 26 1.185 14.026 78.351 1.00 98.25 C
205
+ ATOM 205 CZ3 TRP A 26 2.967 14.639 79.872 1.00 98.25 C
206
+ ATOM 206 N TRP A 26 6.062 11.328 75.859 1.00 98.25 N
207
+ ATOM 207 NE1 TRP A 26 2.034 13.396 76.076 1.00 98.25 N
208
+ ATOM 208 O TRP A 26 6.966 12.683 78.999 1.00 98.25 O
209
+ ATOM 209 C PRO A 27 6.187 10.446 80.659 1.00 98.05 C
210
+ ATOM 210 CA PRO A 27 5.037 11.211 80.007 1.00 98.05 C
211
+ ATOM 211 CB PRO A 27 3.746 10.388 80.039 1.00 98.05 C
212
+ ATOM 212 CD PRO A 27 4.012 10.970 77.692 1.00 98.05 C
213
+ ATOM 213 CG PRO A 27 3.013 10.780 78.796 1.00 98.05 C
214
+ ATOM 214 N PRO A 27 5.252 11.447 78.578 1.00 98.05 N
215
+ ATOM 215 O PRO A 27 6.313 10.442 81.886 1.00 98.05 O
216
+ ATOM 216 C PHE A 28 9.426 9.693 80.309 1.00 98.69 C
217
+ ATOM 217 CA PHE A 28 8.084 8.974 80.367 1.00 98.69 C
218
+ ATOM 218 CB PHE A 28 8.150 7.674 79.558 1.00 98.69 C
219
+ ATOM 219 CD1 PHE A 28 6.587 6.094 80.735 1.00 98.69 C
220
+ ATOM 220 CD2 PHE A 28 5.998 6.858 78.547 1.00 98.69 C
221
+ ATOM 221 CE1 PHE A 28 5.417 5.338 80.790 1.00 98.69 C
222
+ ATOM 222 CE2 PHE A 28 4.829 6.105 78.595 1.00 98.69 C
223
+ ATOM 223 CG PHE A 28 6.887 6.859 79.615 1.00 98.69 C
224
+ ATOM 224 CZ PHE A 28 4.541 5.345 79.717 1.00 98.69 C
225
+ ATOM 225 N PHE A 28 7.014 9.833 79.872 1.00 98.69 N
226
+ ATOM 226 O PHE A 28 10.450 9.141 80.716 1.00 98.69 O
227
+ ATOM 227 C HIS A 29 11.306 12.155 80.933 1.00 98.71 C
228
+ ATOM 228 CA HIS A 29 10.717 11.692 79.605 1.00 98.71 C
229
+ ATOM 229 CB HIS A 29 10.491 12.891 78.684 1.00 98.71 C
230
+ ATOM 230 CD2 HIS A 29 9.953 11.312 76.696 1.00 98.71 C
231
+ ATOM 231 CE1 HIS A 29 9.950 12.814 75.098 1.00 98.71 C
232
+ ATOM 232 CG HIS A 29 10.222 12.513 77.261 1.00 98.71 C
233
+ ATOM 233 N HIS A 29 9.471 10.961 79.808 1.00 98.71 N
234
+ ATOM 234 ND1 HIS A 29 10.213 13.434 76.236 1.00 98.71 N
235
+ ATOM 235 NE2 HIS A 29 9.788 11.526 75.350 1.00 98.71 N
236
+ ATOM 236 O HIS A 29 12.528 12.222 81.084 1.00 98.71 O
237
+ ATOM 237 C HIS A 30 10.085 12.271 84.364 1.00 98.42 C
238
+ ATOM 238 CA HIS A 30 10.788 13.004 83.228 1.00 98.42 C
239
+ ATOM 239 CB HIS A 30 10.469 14.499 83.290 1.00 98.42 C
240
+ ATOM 240 CD2 HIS A 30 10.625 15.997 81.178 1.00 98.42 C
241
+ ATOM 241 CE1 HIS A 30 12.805 16.205 81.104 1.00 98.42 C
242
+ ATOM 242 CG HIS A 30 11.137 15.302 82.220 1.00 98.42 C
243
+ ATOM 243 N HIS A 30 10.409 12.454 81.932 1.00 98.42 N
244
+ ATOM 244 ND1 HIS A 30 12.506 15.449 82.147 1.00 98.42 N
245
+ ATOM 245 NE2 HIS A 30 11.682 16.550 80.499 1.00 98.42 N
246
+ ATOM 246 O HIS A 30 9.080 11.591 84.142 1.00 98.42 O
247
+ ATOM 247 C PRO A 31 8.531 12.251 86.867 1.00 98.28 C
248
+ ATOM 248 CA PRO A 31 9.984 11.801 86.732 1.00 98.28 C
249
+ ATOM 249 CB PRO A 31 10.816 12.274 87.927 1.00 98.28 C
250
+ ATOM 250 CD PRO A 31 12.043 13.059 85.979 1.00 98.28 C
251
+ ATOM 251 CG PRO A 31 12.182 12.511 87.371 1.00 98.28 C
252
+ ATOM 252 N PRO A 31 10.661 12.414 85.586 1.00 98.28 N
253
+ ATOM 253 O PRO A 31 8.218 13.419 86.625 1.00 98.28 O
254
+ ATOM 254 C VAL A 32 6.125 12.797 88.621 1.00 97.72 C
255
+ ATOM 255 CA VAL A 32 6.240 11.692 87.574 1.00 97.72 C
256
+ ATOM 256 CB VAL A 32 5.439 10.448 88.020 1.00 97.72 C
257
+ ATOM 257 CG1 VAL A 32 4.018 10.838 88.423 1.00 97.72 C
258
+ ATOM 258 CG2 VAL A 32 5.416 9.402 86.908 1.00 97.72 C
259
+ ATOM 259 N VAL A 32 7.645 11.372 87.346 1.00 97.72 N
260
+ ATOM 260 O VAL A 32 6.753 12.725 89.680 1.00 97.72 O
261
+ ATOM 261 C ASN A 33 4.207 14.531 90.312 1.00 96.57 C
262
+ ATOM 262 CA ASN A 33 5.192 14.878 89.199 1.00 96.57 C
263
+ ATOM 263 CB ASN A 33 4.708 16.108 88.427 1.00 96.57 C
264
+ ATOM 264 CG ASN A 33 4.690 17.362 89.278 1.00 96.57 C
265
+ ATOM 265 N ASN A 33 5.395 13.752 88.293 1.00 96.57 N
266
+ ATOM 266 ND2 ASN A 33 4.916 18.510 88.649 1.00 96.57 N
267
+ ATOM 267 O ASN A 33 3.011 14.379 90.062 1.00 96.57 O
268
+ ATOM 268 OD1 ASN A 33 4.477 17.300 90.492 1.00 96.57 O
269
+ ATOM 269 C LYS A 34 2.671 15.082 92.874 1.00 95.33 C
270
+ ATOM 270 CA LYS A 34 3.888 14.183 92.675 1.00 95.33 C
271
+ ATOM 271 CB LYS A 34 4.779 14.224 93.918 1.00 95.33 C
272
+ ATOM 272 CD LYS A 34 5.921 12.967 95.776 1.00 95.33 C
273
+ ATOM 273 CE LYS A 34 6.117 11.613 96.445 1.00 95.33 C
274
+ ATOM 274 CG LYS A 34 4.996 12.867 94.569 1.00 95.33 C
275
+ ATOM 275 N LYS A 34 4.644 14.575 91.489 1.00 95.33 N
276
+ ATOM 276 NZ LYS A 34 7.038 11.702 97.617 1.00 95.33 N
277
+ ATOM 277 O LYS A 34 1.660 14.653 93.435 1.00 95.33 O
278
+ ATOM 278 C LYS A 35 0.480 16.835 91.750 1.00 96.77 C
279
+ ATOM 279 CA LYS A 35 1.672 17.245 92.612 1.00 96.77 C
280
+ ATOM 280 CB LYS A 35 2.119 18.660 92.248 1.00 96.77 C
281
+ ATOM 281 CD LYS A 35 3.383 20.737 92.903 1.00 96.77 C
282
+ ATOM 282 CE LYS A 35 4.320 21.373 93.921 1.00 96.77 C
283
+ ATOM 283 CG LYS A 35 3.055 19.295 93.267 1.00 96.77 C
284
+ ATOM 284 N LYS A 35 2.777 16.302 92.463 1.00 96.77 N
285
+ ATOM 285 NZ LYS A 35 4.677 22.774 93.548 1.00 96.77 N
286
+ ATOM 286 O LYS A 35 -0.672 17.017 92.148 1.00 96.77 O
287
+ ATOM 287 C PHE A 36 -0.769 14.541 89.825 1.00 95.95 C
288
+ ATOM 288 CA PHE A 36 -0.282 15.972 89.629 1.00 95.95 C
289
+ ATOM 289 CB PHE A 36 0.230 16.161 88.198 1.00 95.95 C
290
+ ATOM 290 CD1 PHE A 36 -0.435 18.574 87.949 1.00 95.95 C
291
+ ATOM 291 CD2 PHE A 36 1.813 17.952 87.421 1.00 95.95 C
292
+ ATOM 292 CE1 PHE A 36 -0.150 19.899 87.626 1.00 95.95 C
293
+ ATOM 293 CE2 PHE A 36 2.105 19.274 87.096 1.00 95.95 C
294
+ ATOM 294 CG PHE A 36 0.542 17.591 87.849 1.00 95.95 C
295
+ ATOM 295 CZ PHE A 36 1.123 20.245 87.199 1.00 95.95 C
296
+ ATOM 296 N PHE A 36 0.759 16.301 90.596 1.00 95.95 N
297
+ ATOM 297 O PHE A 36 -1.905 14.213 89.476 1.00 95.95 O
298
+ ATOM 298 C VAL A 37 0.150 11.923 91.989 1.00 96.44 C
299
+ ATOM 299 CA VAL A 37 -0.246 12.289 90.561 1.00 96.44 C
300
+ ATOM 300 CB VAL A 37 0.453 11.347 89.556 1.00 96.44 C
301
+ ATOM 301 CG1 VAL A 37 -0.130 9.937 89.641 1.00 96.44 C
302
+ ATOM 302 CG2 VAL A 37 0.329 11.894 88.135 1.00 96.44 C
303
+ ATOM 303 N VAL A 37 0.080 13.687 90.300 1.00 96.44 N
304
+ ATOM 304 O VAL A 37 1.136 11.215 92.205 1.00 96.44 O
305
+ ATOM 305 C PRO A 38 0.061 10.823 94.944 1.00 96.65 C
306
+ ATOM 306 CA PRO A 38 -0.168 12.227 94.389 1.00 96.65 C
307
+ ATOM 307 CB PRO A 38 -1.314 12.924 95.127 1.00 96.65 C
308
+ ATOM 308 CD PRO A 38 -1.958 12.815 92.784 1.00 96.65 C
309
+ ATOM 309 CG PRO A 38 -2.478 12.838 94.193 1.00 96.65 C
310
+ ATOM 310 N PRO A 38 -0.619 12.219 92.996 1.00 96.65 N
311
+ ATOM 311 O PRO A 38 0.846 10.646 95.879 1.00 96.65 O
312
+ ATOM 312 C ASP A 39 0.575 7.636 94.179 1.00 97.67 C
313
+ ATOM 313 CA ASP A 39 -0.456 8.474 94.933 1.00 97.67 C
314
+ ATOM 314 CB ASP A 39 -1.822 7.790 94.892 1.00 97.67 C
315
+ ATOM 315 CG ASP A 39 -2.385 7.673 93.486 1.00 97.67 C
316
+ ATOM 316 N ASP A 39 -0.541 9.823 94.381 1.00 97.67 N
317
+ ATOM 317 O ASP A 39 0.875 6.508 94.575 1.00 97.67 O
318
+ ATOM 318 OD1 ASP A 39 -2.019 8.489 92.612 1.00 97.67 O
319
+ ATOM 319 OD2 ASP A 39 -3.204 6.759 93.250 1.00 97.67 O
320
+ ATOM 320 C TYR A 40 3.168 6.764 93.052 1.00 98.13 C
321
+ ATOM 321 CA TYR A 40 2.048 7.434 92.265 1.00 98.13 C
322
+ ATOM 322 CB TYR A 40 2.642 8.351 91.192 1.00 98.13 C
323
+ ATOM 323 CD1 TYR A 40 4.972 7.754 90.422 1.00 98.13 C
324
+ ATOM 324 CD2 TYR A 40 3.116 6.883 89.195 1.00 98.13 C
325
+ ATOM 325 CE1 TYR A 40 5.853 7.111 89.558 1.00 98.13 C
326
+ ATOM 326 CE2 TYR A 40 3.988 6.236 88.325 1.00 98.13 C
327
+ ATOM 327 CG TYR A 40 3.593 7.650 90.252 1.00 98.13 C
328
+ ATOM 328 CZ TYR A 40 5.352 6.356 88.514 1.00 98.13 C
329
+ ATOM 329 N TYR A 40 1.165 8.186 93.150 1.00 98.13 N
330
+ ATOM 330 O TYR A 40 3.361 5.551 92.958 1.00 98.13 O
331
+ ATOM 331 OH TYR A 40 6.219 5.718 87.656 1.00 98.13 O
332
+ ATOM 332 C TYR A 41 4.649 6.120 95.777 1.00 97.84 C
333
+ ATOM 333 CA TYR A 41 5.016 7.016 94.600 1.00 97.84 C
334
+ ATOM 334 CB TYR A 41 5.859 8.198 95.088 1.00 97.84 C
335
+ ATOM 335 CD1 TYR A 41 7.613 8.510 93.297 1.00 97.84 C
336
+ ATOM 336 CD2 TYR A 41 5.976 10.226 93.590 1.00 97.84 C
337
+ ATOM 337 CE1 TYR A 41 8.203 9.239 92.270 1.00 97.84 C
338
+ ATOM 338 CE2 TYR A 41 6.558 10.963 92.564 1.00 97.84 C
339
+ ATOM 339 CG TYR A 41 6.493 8.993 93.972 1.00 97.84 C
340
+ ATOM 340 CZ TYR A 41 7.668 10.462 91.911 1.00 97.84 C
341
+ ATOM 341 N TYR A 41 3.820 7.489 93.911 1.00 97.84 N
342
+ ATOM 342 O TYR A 41 5.515 5.465 96.361 1.00 97.84 O
343
+ ATOM 343 OH TYR A 41 8.247 11.188 90.894 1.00 97.84 O
344
+ ATOM 344 C LYS A 42 2.812 3.687 96.453 1.00 97.70 C
345
+ ATOM 345 CA LYS A 42 2.885 5.076 97.083 1.00 97.70 C
346
+ ATOM 346 CB LYS A 42 1.516 5.472 97.640 1.00 97.70 C
347
+ ATOM 347 CD LYS A 42 0.109 7.171 98.850 1.00 97.70 C
348
+ ATOM 348 CE LYS A 42 0.085 8.538 99.521 1.00 97.70 C
349
+ ATOM 349 CG LYS A 42 1.506 6.812 98.361 1.00 97.70 C
350
+ ATOM 350 N LYS A 42 3.352 6.067 96.119 1.00 97.70 N
351
+ ATOM 351 NZ LYS A 42 -1.308 8.983 99.824 1.00 97.70 N
352
+ ATOM 352 O LYS A 42 2.984 2.679 97.139 1.00 97.70 O
353
+ ATOM 353 C VAL A 43 3.762 1.997 93.798 1.00 98.03 C
354
+ ATOM 354 CA VAL A 43 2.440 2.440 94.420 1.00 98.03 C
355
+ ATOM 355 CB VAL A 43 1.361 2.594 93.326 1.00 98.03 C
356
+ ATOM 356 CG1 VAL A 43 1.205 1.296 92.534 1.00 98.03 C
357
+ ATOM 357 CG2 VAL A 43 0.028 3.009 93.945 1.00 98.03 C
358
+ ATOM 358 N VAL A 43 2.635 3.682 95.160 1.00 98.03 N
359
+ ATOM 359 O VAL A 43 4.115 0.816 93.848 1.00 98.03 O
360
+ ATOM 360 C ILE A 44 6.823 3.004 93.518 1.00 98.21 C
361
+ ATOM 361 CA ILE A 44 5.650 2.713 92.585 1.00 98.21 C
362
+ ATOM 362 CB ILE A 44 5.774 3.551 91.292 1.00 98.21 C
363
+ ATOM 363 CD1 ILE A 44 4.435 1.789 90.000 1.00 98.21 C
364
+ ATOM 364 CG1 ILE A 44 4.597 3.262 90.354 1.00 98.21 C
365
+ ATOM 365 CG2 ILE A 44 7.110 3.276 90.596 1.00 98.21 C
366
+ ATOM 366 N ILE A 44 4.392 2.980 93.275 1.00 98.21 N
367
+ ATOM 367 O ILE A 44 7.142 4.166 93.783 1.00 98.21 O
368
+ ATOM 368 C VAL A 45 9.935 2.332 94.134 1.00 97.51 C
369
+ ATOM 369 CA VAL A 45 8.620 1.998 94.835 1.00 97.51 C
370
+ ATOM 370 CB VAL A 45 8.760 0.681 95.632 1.00 97.51 C
371
+ ATOM 371 CG1 VAL A 45 9.891 0.785 96.652 1.00 97.51 C
372
+ ATOM 372 CG2 VAL A 45 7.443 0.334 96.322 1.00 97.51 C
373
+ ATOM 373 N VAL A 45 7.543 1.920 93.855 1.00 97.51 N
374
+ ATOM 374 O VAL A 45 10.787 3.025 94.696 1.00 97.51 O
375
+ ATOM 375 C ASN A 46 10.983 2.794 90.847 1.00 98.12 C
376
+ ATOM 376 CA ASN A 46 11.329 2.057 92.137 1.00 98.12 C
377
+ ATOM 377 CB ASN A 46 12.040 0.739 91.822 1.00 98.12 C
378
+ ATOM 378 CG ASN A 46 12.681 0.113 93.045 1.00 98.12 C
379
+ ATOM 379 N ASN A 46 10.144 1.817 92.952 1.00 98.12 N
380
+ ATOM 380 ND2 ASN A 46 12.679 -1.214 93.102 1.00 98.12 N
381
+ ATOM 381 O ASN A 46 10.890 2.180 89.783 1.00 98.12 O
382
+ ATOM 382 OD1 ASN A 46 13.172 0.816 93.932 1.00 98.12 O
383
+ ATOM 383 C PRO A 47 11.676 4.955 88.751 1.00 98.48 C
384
+ ATOM 384 CA PRO A 47 10.531 4.889 89.758 1.00 98.48 C
385
+ ATOM 385 CB PRO A 47 10.210 6.280 90.312 1.00 98.48 C
386
+ ATOM 386 CD PRO A 47 11.171 5.054 92.182 1.00 98.48 C
387
+ ATOM 387 CG PRO A 47 11.057 6.406 91.539 1.00 98.48 C
388
+ ATOM 388 N PRO A 47 10.874 4.120 90.957 1.00 98.48 N
389
+ ATOM 389 O PRO A 47 12.847 4.913 89.137 1.00 98.48 O
390
+ ATOM 390 C MET A 48 11.722 6.018 85.282 1.00 98.66 C
391
+ ATOM 391 CA MET A 48 12.287 5.199 86.437 1.00 98.66 C
392
+ ATOM 392 CB MET A 48 12.714 3.818 85.939 1.00 98.66 C
393
+ ATOM 393 CE MET A 48 15.841 3.500 86.843 1.00 98.66 C
394
+ ATOM 394 CG MET A 48 13.840 3.854 84.919 1.00 98.66 C
395
+ ATOM 395 N MET A 48 11.311 5.077 87.515 1.00 98.66 N
396
+ ATOM 396 O MET A 48 10.523 5.960 85.002 1.00 98.66 O
397
+ ATOM 397 SD MET A 48 15.345 4.684 85.562 1.00 98.66 S
398
+ ATOM 398 C ASP A 49 13.460 7.810 82.548 1.00 98.78 C
399
+ ATOM 399 CA ASP A 49 12.255 7.623 83.469 1.00 98.78 C
400
+ ATOM 400 CB ASP A 49 11.727 8.985 83.925 1.00 98.78 C
401
+ ATOM 401 CG ASP A 49 12.756 9.792 84.695 1.00 98.78 C
402
+ ATOM 402 N ASP A 49 12.597 6.794 84.620 1.00 98.78 N
403
+ ATOM 403 O ASP A 49 14.586 7.467 82.915 1.00 98.78 O
404
+ ATOM 404 OD1 ASP A 49 13.556 10.521 84.068 1.00 98.78 O
405
+ ATOM 405 OD2 ASP A 49 12.771 9.697 85.942 1.00 98.78 O
406
+ ATOM 406 C LEU A 50 15.348 9.430 80.726 1.00 98.79 C
407
+ ATOM 407 CA LEU A 50 14.277 8.416 80.340 1.00 98.79 C
408
+ ATOM 408 CB LEU A 50 13.664 8.792 78.988 1.00 98.79 C
409
+ ATOM 409 CD1 LEU A 50 12.197 8.273 77.022 1.00 98.79 C
410
+ ATOM 410 CD2 LEU A 50 13.476 6.433 78.152 1.00 98.79 C
411
+ ATOM 411 CG LEU A 50 12.741 7.754 78.350 1.00 98.79 C
412
+ ATOM 412 N LEU A 50 13.241 8.337 81.365 1.00 98.79 N
413
+ ATOM 413 O LEU A 50 16.525 9.249 80.403 1.00 98.79 O
414
+ ATOM 414 C GLU A 51 16.910 10.786 82.976 1.00 98.63 C
415
+ ATOM 415 CA GLU A 51 15.994 11.434 81.943 1.00 98.63 C
416
+ ATOM 416 CB GLU A 51 15.310 12.665 82.543 1.00 98.63 C
417
+ ATOM 417 CD GLU A 51 15.593 14.945 83.627 1.00 98.63 C
418
+ ATOM 418 CG GLU A 51 16.278 13.762 82.964 1.00 98.63 C
419
+ ATOM 419 N GLU A 51 15.000 10.486 81.450 1.00 98.63 N
420
+ ATOM 420 O GLU A 51 18.123 11.004 82.960 1.00 98.63 O
421
+ ATOM 421 OE1 GLU A 51 16.252 15.988 83.839 1.00 98.63 O
422
+ ATOM 422 OE2 GLU A 51 14.386 14.830 83.938 1.00 98.63 O
423
+ ATOM 423 C THR A 52 18.104 8.346 84.179 1.00 98.76 C
424
+ ATOM 424 CA THR A 52 17.152 9.314 84.875 1.00 98.76 C
425
+ ATOM 425 CB THR A 52 16.262 8.540 85.864 1.00 98.76 C
426
+ ATOM 426 CG2 THR A 52 17.101 7.689 86.811 1.00 98.76 C
427
+ ATOM 427 N THR A 52 16.351 10.044 83.899 1.00 98.76 N
428
+ ATOM 428 O THR A 52 19.280 8.257 84.536 1.00 98.76 O
429
+ ATOM 429 OG1 THR A 52 15.490 9.472 86.633 1.00 98.76 O
430
+ ATOM 430 C ILE A 53 19.646 7.522 81.726 1.00 98.79 C
431
+ ATOM 431 CA ILE A 53 18.506 6.746 82.382 1.00 98.79 C
432
+ ATOM 432 CB ILE A 53 17.677 6.003 81.311 1.00 98.79 C
433
+ ATOM 433 CD1 ILE A 53 15.839 4.245 80.995 1.00 98.79 C
434
+ ATOM 434 CG1 ILE A 53 16.775 4.952 81.967 1.00 98.79 C
435
+ ATOM 435 CG2 ILE A 53 18.596 5.361 80.266 1.00 98.79 C
436
+ ATOM 436 N ILE A 53 17.676 7.656 83.163 1.00 98.79 N
437
+ ATOM 437 O ILE A 53 20.806 7.109 81.795 1.00 98.79 O
438
+ ATOM 438 C ARG A 54 21.460 9.919 81.614 1.00 98.59 C
439
+ ATOM 439 CA ARG A 54 20.422 9.488 80.584 1.00 98.59 C
440
+ ATOM 440 CB ARG A 54 19.802 10.719 79.919 1.00 98.59 C
441
+ ATOM 441 CD ARG A 54 18.501 11.672 77.985 1.00 98.59 C
442
+ ATOM 442 CG ARG A 54 19.036 10.408 78.643 1.00 98.59 C
443
+ ATOM 443 CZ ARG A 54 19.542 13.843 77.419 1.00 98.59 C
444
+ ATOM 444 N ARG A 54 19.390 8.659 81.195 1.00 98.59 N
445
+ ATOM 445 NE ARG A 54 19.581 12.515 77.479 1.00 98.59 N
446
+ ATOM 446 NH1 ARG A 54 18.471 14.510 77.835 1.00 98.59 N
447
+ ATOM 447 NH2 ARG A 54 20.582 14.512 76.940 1.00 98.59 N
448
+ ATOM 448 O ARG A 54 22.661 9.909 81.336 1.00 98.59 O
449
+ ATOM 449 C LYS A 55 22.775 9.494 84.255 1.00 98.61 C
450
+ ATOM 450 CA LYS A 55 21.896 10.678 83.865 1.00 98.61 C
451
+ ATOM 451 CB LYS A 55 21.110 11.172 85.080 1.00 98.61 C
452
+ ATOM 452 CD LYS A 55 19.575 12.909 86.060 1.00 98.61 C
453
+ ATOM 453 CE LYS A 55 18.871 14.239 85.826 1.00 98.61 C
454
+ ATOM 454 CG LYS A 55 20.502 12.555 84.904 1.00 98.61 C
455
+ ATOM 455 N LYS A 55 20.989 10.323 82.777 1.00 98.61 N
456
+ ATOM 456 NZ LYS A 55 17.770 14.464 86.810 1.00 98.61 N
457
+ ATOM 457 O LYS A 55 23.973 9.656 84.500 1.00 98.61 O
458
+ ATOM 458 C ASN A 56 23.997 6.825 83.599 1.00 98.51 C
459
+ ATOM 459 CA ASN A 56 22.957 7.104 84.679 1.00 98.51 C
460
+ ATOM 460 CB ASN A 56 22.014 5.908 84.829 1.00 98.51 C
461
+ ATOM 461 CG ASN A 56 21.228 5.942 86.125 1.00 98.51 C
462
+ ATOM 462 N ASN A 56 22.200 8.318 84.394 1.00 98.51 N
463
+ ATOM 463 ND2 ASN A 56 20.163 5.152 86.195 1.00 98.51 N
464
+ ATOM 464 O ASN A 56 25.127 6.438 83.904 1.00 98.51 O
465
+ ATOM 465 OD1 ASN A 56 21.573 6.676 87.055 1.00 98.51 O
466
+ ATOM 466 C ILE A 57 25.744 7.858 81.349 1.00 98.47 C
467
+ ATOM 467 CA ILE A 57 24.560 6.905 81.191 1.00 98.47 C
468
+ ATOM 468 CB ILE A 57 23.850 7.153 79.842 1.00 98.47 C
469
+ ATOM 469 CD1 ILE A 57 21.857 6.357 78.442 1.00 98.47 C
470
+ ATOM 470 CG1 ILE A 57 22.847 6.031 79.552 1.00 98.47 C
471
+ ATOM 471 CG2 ILE A 57 24.871 7.283 78.709 1.00 98.47 C
472
+ ATOM 472 N ILE A 57 23.645 7.065 82.315 1.00 98.47 N
473
+ ATOM 473 O ILE A 57 26.901 7.438 81.277 1.00 98.47 O
474
+ ATOM 474 C SER A 58 27.447 9.832 82.891 1.00 97.84 C
475
+ ATOM 475 CA SER A 58 26.499 10.116 81.730 1.00 97.84 C
476
+ ATOM 476 CB SER A 58 25.863 11.496 81.906 1.00 97.84 C
477
+ ATOM 477 N SER A 58 25.471 9.088 81.624 1.00 97.84 N
478
+ ATOM 478 O SER A 58 28.606 10.252 82.870 1.00 97.84 O
479
+ ATOM 479 OG SER A 58 25.300 11.629 83.199 1.00 97.84 O
480
+ ATOM 480 C LYS A 59 28.475 7.382 84.810 1.00 97.79 C
481
+ ATOM 481 CA LYS A 59 27.787 8.725 85.030 1.00 97.79 C
482
+ ATOM 482 CB LYS A 59 26.910 8.666 86.283 1.00 97.79 C
483
+ ATOM 483 CD LYS A 59 25.462 9.893 87.936 1.00 97.79 C
484
+ ATOM 484 CE LYS A 59 24.936 11.250 88.386 1.00 97.79 C
485
+ ATOM 485 CG LYS A 59 26.424 10.026 86.764 1.00 97.79 C
486
+ ATOM 486 N LYS A 59 26.991 9.107 83.867 1.00 97.79 N
487
+ ATOM 487 NZ LYS A 59 23.986 11.124 89.531 1.00 97.79 N
488
+ ATOM 488 O LYS A 59 29.028 6.801 85.746 1.00 97.79 O
489
+ ATOM 489 C HIS A 60 28.516 4.425 84.211 1.00 96.89 C
490
+ ATOM 490 CA HIS A 60 28.958 5.554 83.285 1.00 96.89 C
491
+ ATOM 491 CB HIS A 60 30.483 5.667 83.286 1.00 96.89 C
492
+ ATOM 492 CD2 HIS A 60 31.890 7.700 82.500 1.00 96.89 C
493
+ ATOM 493 CE1 HIS A 60 31.250 7.731 80.403 1.00 96.89 C
494
+ ATOM 494 CG HIS A 60 31.010 6.686 82.326 1.00 96.89 C
495
+ ATOM 495 N HIS A 60 28.351 6.822 83.673 1.00 96.89 N
496
+ ATOM 496 ND1 HIS A 60 30.626 6.730 81.004 1.00 96.89 N
497
+ ATOM 497 NE2 HIS A 60 32.022 8.335 81.290 1.00 96.89 N
498
+ ATOM 498 O HIS A 60 29.320 3.563 84.572 1.00 96.89 O
499
+ ATOM 499 C LYS A 61 26.518 2.115 84.704 1.00 96.99 C
500
+ ATOM 500 CA LYS A 61 26.733 3.427 85.452 1.00 96.99 C
501
+ ATOM 501 CB LYS A 61 25.423 3.884 86.096 1.00 96.99 C
502
+ ATOM 502 CD LYS A 61 24.323 5.044 88.041 1.00 96.99 C
503
+ ATOM 503 CE LYS A 61 24.521 5.989 89.219 1.00 96.99 C
504
+ ATOM 504 CG LYS A 61 25.607 4.871 87.239 1.00 96.99 C
505
+ ATOM 505 N LYS A 61 27.255 4.461 84.563 1.00 96.99 N
506
+ ATOM 506 NZ LYS A 61 23.279 6.119 90.039 1.00 96.99 N
507
+ ATOM 507 O LYS A 61 26.468 1.046 85.315 1.00 96.99 O
508
+ ATOM 508 C TYR A 62 27.349 0.501 81.968 1.00 97.51 C
509
+ ATOM 509 CA TYR A 62 26.055 1.011 82.592 1.00 97.51 C
510
+ ATOM 510 CB TYR A 62 25.022 1.293 81.497 1.00 97.51 C
511
+ ATOM 511 CD1 TYR A 62 22.926 1.202 82.903 1.00 97.51 C
512
+ ATOM 512 CD2 TYR A 62 23.340 3.169 81.612 1.00 97.51 C
513
+ ATOM 513 CE1 TYR A 62 21.742 1.757 83.380 1.00 97.51 C
514
+ ATOM 514 CE2 TYR A 62 22.158 3.733 82.083 1.00 97.51 C
515
+ ATOM 515 CG TYR A 62 23.741 1.899 82.014 1.00 97.51 C
516
+ ATOM 516 CZ TYR A 62 21.369 3.021 82.965 1.00 97.51 C
517
+ ATOM 517 N TYR A 62 26.297 2.209 83.388 1.00 97.51 N
518
+ ATOM 518 O TYR A 62 28.007 1.220 81.213 1.00 97.51 O
519
+ ATOM 519 OH TYR A 62 20.198 3.574 83.435 1.00 97.51 O
520
+ ATOM 520 C GLN A 63 28.418 -2.540 80.660 1.00 93.74 C
521
+ ATOM 521 CA GLN A 63 28.814 -1.453 81.655 1.00 93.74 C
522
+ ATOM 522 CB GLN A 63 29.685 -2.047 82.763 1.00 93.74 C
523
+ ATOM 523 CD GLN A 63 31.165 -1.614 84.770 1.00 93.74 C
524
+ ATOM 524 CG GLN A 63 30.237 -1.011 83.733 1.00 93.74 C
525
+ ATOM 525 N GLN A 63 27.637 -0.803 82.221 1.00 93.74 N
526
+ ATOM 526 NE2 GLN A 63 31.741 -0.766 85.616 1.00 93.74 N
527
+ ATOM 527 O GLN A 63 29.276 -3.120 79.992 1.00 93.74 O
528
+ ATOM 528 OE1 GLN A 63 31.363 -2.833 84.813 1.00 93.74 O
529
+ ATOM 529 C SER A 64 25.196 -3.361 79.232 1.00 96.24 C
530
+ ATOM 530 CA SER A 64 26.600 -3.779 79.655 1.00 96.24 C
531
+ ATOM 531 CB SER A 64 26.561 -5.181 80.266 1.00 96.24 C
532
+ ATOM 532 N SER A 64 27.175 -2.825 80.599 1.00 96.24 N
533
+ ATOM 533 O SER A 64 24.528 -2.606 79.940 1.00 96.24 O
534
+ ATOM 534 OG SER A 64 25.616 -5.243 81.321 1.00 96.24 O
535
+ ATOM 535 C ARG A 65 22.352 -4.193 78.607 1.00 97.53 C
536
+ ATOM 536 CA ARG A 65 23.393 -3.659 77.628 1.00 97.53 C
537
+ ATOM 537 CB ARG A 65 23.197 -4.303 76.253 1.00 97.53 C
538
+ ATOM 538 CD ARG A 65 23.776 -4.293 73.801 1.00 97.53 C
539
+ ATOM 539 CG ARG A 65 23.830 -3.521 75.112 1.00 97.53 C
540
+ ATOM 540 CZ ARG A 65 24.987 -6.165 72.733 1.00 97.53 C
541
+ ATOM 541 N ARG A 65 24.746 -3.901 78.120 1.00 97.53 N
542
+ ATOM 542 NE ARG A 65 24.713 -5.412 73.794 1.00 97.53 N
543
+ ATOM 543 NH1 ARG A 65 24.396 -5.933 71.567 1.00 97.53 N
544
+ ATOM 544 NH2 ARG A 65 25.857 -7.158 72.838 1.00 97.53 N
545
+ ATOM 545 O ARG A 65 21.263 -3.631 78.730 1.00 97.53 O
546
+ ATOM 546 C GLU A 66 21.340 -4.959 81.303 1.00 97.08 C
547
+ ATOM 547 CA GLU A 66 21.779 -5.902 80.186 1.00 97.08 C
548
+ ATOM 548 CB GLU A 66 22.407 -7.165 80.781 1.00 97.08 C
549
+ ATOM 549 CD GLU A 66 22.061 -9.289 82.131 1.00 97.08 C
550
+ ATOM 550 CG GLU A 66 21.437 -8.011 81.591 1.00 97.08 C
551
+ ATOM 551 N GLU A 66 22.712 -5.245 79.276 1.00 97.08 N
552
+ ATOM 552 O GLU A 66 20.143 -4.767 81.526 1.00 97.08 O
553
+ ATOM 553 OE1 GLU A 66 21.311 -10.210 82.527 1.00 97.08 O
554
+ ATOM 554 OE2 GLU A 66 23.309 -9.369 82.157 1.00 97.08 O
555
+ ATOM 555 C SER A 67 21.184 -2.205 82.557 1.00 97.33 C
556
+ ATOM 556 CA SER A 67 21.964 -3.419 83.050 1.00 97.33 C
557
+ ATOM 557 CB SER A 67 23.251 -2.964 83.740 1.00 97.33 C
558
+ ATOM 558 N SER A 67 22.268 -4.332 81.953 1.00 97.33 N
559
+ ATOM 559 O SER A 67 20.322 -1.684 83.268 1.00 97.33 O
560
+ ATOM 560 OG SER A 67 24.117 -2.325 82.818 1.00 97.33 O
561
+ ATOM 561 C PHE A 68 19.290 -1.071 80.380 1.00 98.58 C
562
+ ATOM 562 CA PHE A 68 20.721 -0.636 80.674 1.00 98.58 C
563
+ ATOM 563 CB PHE A 68 21.420 -0.218 79.375 1.00 98.58 C
564
+ ATOM 564 CD1 PHE A 68 20.017 0.161 77.321 1.00 98.58 C
565
+ ATOM 565 CD2 PHE A 68 20.351 1.990 78.826 1.00 98.58 C
566
+ ATOM 566 CE1 PHE A 68 19.238 0.973 76.500 1.00 98.58 C
567
+ ATOM 567 CE2 PHE A 68 19.575 2.807 78.009 1.00 98.58 C
568
+ ATOM 568 CG PHE A 68 20.579 0.662 78.490 1.00 98.58 C
569
+ ATOM 569 CZ PHE A 68 19.020 2.297 76.847 1.00 98.58 C
570
+ ATOM 570 N PHE A 68 21.462 -1.703 81.334 1.00 98.58 N
571
+ ATOM 571 O PHE A 68 18.339 -0.357 80.704 1.00 98.58 O
572
+ ATOM 572 C LEU A 69 16.876 -3.074 80.791 1.00 98.51 C
573
+ ATOM 573 CA LEU A 69 17.727 -2.862 79.544 1.00 98.51 C
574
+ ATOM 574 CB LEU A 69 17.888 -4.185 78.791 1.00 98.51 C
575
+ ATOM 575 CD1 LEU A 69 18.529 -5.445 76.720 1.00 98.51 C
576
+ ATOM 576 CD2 LEU A 69 16.904 -3.536 76.575 1.00 98.51 C
577
+ ATOM 577 CG LEU A 69 18.137 -4.083 77.286 1.00 98.51 C
578
+ ATOM 578 N LEU A 69 19.032 -2.311 79.892 1.00 98.51 N
579
+ ATOM 579 O LEU A 69 15.653 -2.921 80.747 1.00 98.51 O
580
+ ATOM 580 C ASP A 70 16.062 -2.260 83.528 1.00 98.44 C
581
+ ATOM 581 CA ASP A 70 16.801 -3.543 83.159 1.00 98.44 C
582
+ ATOM 582 CB ASP A 70 17.764 -3.938 84.282 1.00 98.44 C
583
+ ATOM 583 CG ASP A 70 18.231 -5.380 84.182 1.00 98.44 C
584
+ ATOM 584 N ASP A 70 17.520 -3.391 81.898 1.00 98.44 N
585
+ ATOM 585 O ASP A 70 14.874 -2.293 83.856 1.00 98.44 O
586
+ ATOM 586 OD1 ASP A 70 17.577 -6.186 83.487 1.00 98.44 O
587
+ ATOM 587 OD2 ASP A 70 19.262 -5.712 84.807 1.00 98.44 O
588
+ ATOM 588 C ASP A 71 15.057 0.523 82.714 1.00 98.70 C
589
+ ATOM 589 CA ASP A 71 16.139 0.163 83.729 1.00 98.70 C
590
+ ATOM 590 CB ASP A 71 17.203 1.262 83.776 1.00 98.70 C
591
+ ATOM 591 CG ASP A 71 17.958 1.300 85.093 1.00 98.70 C
592
+ ATOM 592 N ASP A 71 16.747 -1.125 83.413 1.00 98.70 N
593
+ ATOM 593 O ASP A 71 14.010 1.062 83.080 1.00 98.70 O
594
+ ATOM 594 OD1 ASP A 71 17.523 0.646 86.065 1.00 98.70 O
595
+ ATOM 595 OD2 ASP A 71 18.995 1.994 85.160 1.00 98.70 O
596
+ ATOM 596 C VAL A 72 13.006 -0.363 80.650 1.00 98.80 C
597
+ ATOM 597 CA VAL A 72 14.253 0.475 80.376 1.00 98.80 C
598
+ ATOM 598 CB VAL A 72 14.807 0.161 78.968 1.00 98.80 C
599
+ ATOM 599 CG1 VAL A 72 13.705 0.270 77.917 1.00 98.80 C
600
+ ATOM 600 CG2 VAL A 72 15.966 1.099 78.631 1.00 98.80 C
601
+ ATOM 601 N VAL A 72 15.250 0.229 81.412 1.00 98.80 N
602
+ ATOM 602 O VAL A 72 11.884 0.145 80.589 1.00 98.80 O
603
+ ATOM 603 C ASN A 73 11.312 -2.085 82.551 1.00 98.76 C
604
+ ATOM 604 CA ASN A 73 12.058 -2.507 81.287 1.00 98.76 C
605
+ ATOM 605 CB ASN A 73 12.549 -3.950 81.418 1.00 98.76 C
606
+ ATOM 606 CG ASN A 73 12.820 -4.598 80.074 1.00 98.76 C
607
+ ATOM 607 N ASN A 73 13.172 -1.610 80.998 1.00 98.76 N
608
+ ATOM 608 ND2 ASN A 73 13.905 -5.358 79.990 1.00 98.76 N
609
+ ATOM 609 O ASN A 73 10.113 -2.334 82.681 1.00 98.76 O
610
+ ATOM 610 OD1 ASN A 73 12.059 -4.418 79.119 1.00 98.76 O
611
+ ATOM 611 C LEU A 74 10.313 0.074 84.352 1.00 98.70 C
612
+ ATOM 612 CA LEU A 74 11.370 -0.975 84.681 1.00 98.70 C
613
+ ATOM 613 CB LEU A 74 12.422 -0.379 85.620 1.00 98.70 C
614
+ ATOM 614 CD1 LEU A 74 11.244 -1.074 87.721 1.00 98.70 C
615
+ ATOM 615 CD2 LEU A 74 13.080 0.634 87.820 1.00 98.70 C
616
+ ATOM 616 CG LEU A 74 11.926 0.080 86.992 1.00 98.70 C
617
+ ATOM 617 N LEU A 74 11.997 -1.481 83.466 1.00 98.70 N
618
+ ATOM 618 O LEU A 74 9.286 0.161 85.028 1.00 98.70 O
619
+ ATOM 619 C ILE A 75 8.215 1.184 82.473 1.00 98.77 C
620
+ ATOM 620 CA ILE A 75 9.516 1.892 82.845 1.00 98.77 C
621
+ ATOM 621 CB ILE A 75 10.041 2.712 81.645 1.00 98.77 C
622
+ ATOM 622 CD1 ILE A 75 11.900 4.321 80.922 1.00 98.77 C
623
+ ATOM 623 CG1 ILE A 75 11.233 3.576 82.071 1.00 98.77 C
624
+ ATOM 624 CG2 ILE A 75 8.925 3.575 81.049 1.00 98.77 C
625
+ ATOM 625 N ILE A 75 10.499 0.912 83.293 1.00 98.77 N
626
+ ATOM 626 O ILE A 75 7.136 1.581 82.920 1.00 98.77 O
627
+ ATOM 627 C LEU A 76 6.459 -1.315 82.505 1.00 98.82 C
628
+ ATOM 628 CA LEU A 76 7.123 -0.639 81.309 1.00 98.82 C
629
+ ATOM 629 CB LEU A 76 7.513 -1.689 80.266 1.00 98.82 C
630
+ ATOM 630 CD1 LEU A 76 5.220 -1.909 79.276 1.00 98.82 C
631
+ ATOM 631 CD2 LEU A 76 6.951 -3.669 78.830 1.00 98.82 C
632
+ ATOM 632 CG LEU A 76 6.415 -2.666 79.845 1.00 98.82 C
633
+ ATOM 633 N LEU A 76 8.294 0.124 81.728 1.00 98.82 N
634
+ ATOM 634 O LEU A 76 5.241 -1.223 82.677 1.00 98.82 O
635
+ ATOM 635 C ALA A 77 5.934 -1.665 85.395 1.00 98.80 C
636
+ ATOM 636 CA ALA A 77 6.697 -2.622 84.482 1.00 98.80 C
637
+ ATOM 637 CB ALA A 77 7.826 -3.302 85.253 1.00 98.80 C
638
+ ATOM 638 N ALA A 77 7.227 -1.924 83.314 1.00 98.80 N
639
+ ATOM 639 O ALA A 77 4.845 -1.990 85.874 1.00 98.80 O
640
+ ATOM 640 C ASN A 78 4.513 0.961 85.820 1.00 98.68 C
641
+ ATOM 641 CA ASN A 78 5.815 0.493 86.465 1.00 98.68 C
642
+ ATOM 642 CB ASN A 78 6.749 1.683 86.697 1.00 98.68 C
643
+ ATOM 643 CG ASN A 78 7.871 1.364 87.665 1.00 98.68 C
644
+ ATOM 644 N ASN A 78 6.475 -0.527 85.660 1.00 98.68 N
645
+ ATOM 645 ND2 ASN A 78 8.930 2.165 87.629 1.00 98.68 N
646
+ ATOM 646 O ASN A 78 3.508 1.153 86.509 1.00 98.68 O
647
+ ATOM 647 OD1 ASN A 78 7.788 0.405 88.436 1.00 98.68 O
648
+ ATOM 648 C SER A 79 2.226 0.512 83.879 1.00 98.69 C
649
+ ATOM 649 CA SER A 79 3.326 1.563 83.775 1.00 98.69 C
650
+ ATOM 650 CB SER A 79 3.635 1.845 82.304 1.00 98.69 C
651
+ ATOM 651 N SER A 79 4.531 1.138 84.479 1.00 98.69 N
652
+ ATOM 652 O SER A 79 1.071 0.841 84.163 1.00 98.69 O
653
+ ATOM 653 OG SER A 79 2.533 2.469 81.669 1.00 98.69 O
654
+ ATOM 654 C VAL A 80 1.049 -1.827 85.250 1.00 98.78 C
655
+ ATOM 655 CA VAL A 80 1.631 -1.816 83.838 1.00 98.78 C
656
+ ATOM 656 CB VAL A 80 2.287 -3.179 83.521 1.00 98.78 C
657
+ ATOM 657 CG1 VAL A 80 1.351 -4.328 83.893 1.00 98.78 C
658
+ ATOM 658 CG2 VAL A 80 2.671 -3.255 82.045 1.00 98.78 C
659
+ ATOM 659 N VAL A 80 2.583 -0.719 83.705 1.00 98.78 N
660
+ ATOM 660 O VAL A 80 -0.167 -1.930 85.426 1.00 98.78 O
661
+ ATOM 661 C LYS A 81 0.539 -0.616 87.984 1.00 98.68 C
662
+ ATOM 662 CA LYS A 81 1.453 -1.783 87.619 1.00 98.68 C
663
+ ATOM 663 CB LYS A 81 2.684 -1.789 88.526 1.00 98.68 C
664
+ ATOM 664 CD LYS A 81 3.626 -2.050 90.847 1.00 98.68 C
665
+ ATOM 665 CE LYS A 81 3.302 -2.185 92.329 1.00 98.68 C
666
+ ATOM 666 CG LYS A 81 2.360 -1.927 90.007 1.00 98.68 C
667
+ ATOM 667 N LYS A 81 1.852 -1.720 86.216 1.00 98.68 N
668
+ ATOM 668 NZ LYS A 81 4.541 -2.288 93.158 1.00 98.68 N
669
+ ATOM 669 O LYS A 81 -0.454 -0.797 88.692 1.00 98.68 O
670
+ ATOM 670 C TYR A 82 -1.068 2.006 87.031 1.00 98.52 C
671
+ ATOM 671 CA TYR A 82 0.149 1.749 87.912 1.00 98.52 C
672
+ ATOM 672 CB TYR A 82 1.079 2.966 87.886 1.00 98.52 C
673
+ ATOM 673 CD1 TYR A 82 -0.059 5.217 87.757 1.00 98.52 C
674
+ ATOM 674 CD2 TYR A 82 0.473 4.339 89.913 1.00 98.52 C
675
+ ATOM 675 CE1 TYR A 82 -0.603 6.354 88.346 1.00 98.52 C
676
+ ATOM 676 CE2 TYR A 82 -0.069 5.471 90.514 1.00 98.52 C
677
+ ATOM 677 CG TYR A 82 0.487 4.196 88.530 1.00 98.52 C
678
+ ATOM 678 CZ TYR A 82 -0.604 6.471 89.723 1.00 98.52 C
679
+ ATOM 679 N TYR A 82 0.861 0.551 87.482 1.00 98.52 N
680
+ ATOM 680 O TYR A 82 -2.159 2.283 87.534 1.00 98.52 O
681
+ ATOM 681 OH TYR A 82 -1.142 7.593 90.312 1.00 98.52 O
682
+ ATOM 682 C ASN A 83 -2.792 1.054 84.322 1.00 98.16 C
683
+ ATOM 683 CA ASN A 83 -1.969 2.255 84.779 1.00 98.16 C
684
+ ATOM 684 CB ASN A 83 -1.353 2.966 83.573 1.00 98.16 C
685
+ ATOM 685 CG ASN A 83 -0.607 4.229 83.958 1.00 98.16 C
686
+ ATOM 686 N ASN A 83 -0.931 1.864 85.729 1.00 98.16 N
687
+ ATOM 687 ND2 ASN A 83 0.687 4.267 83.663 1.00 98.16 N
688
+ ATOM 688 O ASN A 83 -3.885 1.216 83.778 1.00 98.16 O
689
+ ATOM 689 OD1 ASN A 83 -1.190 5.162 84.517 1.00 98.16 O
690
+ ATOM 690 C GLY A 84 -2.404 -1.768 82.585 1.00 98.46 C
691
+ ATOM 691 CA GLY A 84 -2.888 -1.370 83.966 1.00 98.46 C
692
+ ATOM 692 N GLY A 84 -2.255 -0.160 84.467 1.00 98.46 N
693
+ ATOM 693 O GLY A 84 -1.887 -0.934 81.838 1.00 98.46 O
694
+ ATOM 694 C PRO A 85 -2.577 -3.086 79.691 1.00 98.22 C
695
+ ATOM 695 CA PRO A 85 -1.904 -3.608 80.959 1.00 98.22 C
696
+ ATOM 696 CB PRO A 85 -2.120 -5.116 81.110 1.00 98.22 C
697
+ ATOM 697 CD PRO A 85 -3.227 -4.113 83.030 1.00 98.22 C
698
+ ATOM 698 CG PRO A 85 -3.281 -5.243 82.042 1.00 98.22 C
699
+ ATOM 699 N PRO A 85 -2.495 -3.058 82.181 1.00 98.22 N
700
+ ATOM 700 O PRO A 85 -1.956 -3.057 78.626 1.00 98.22 O
701
+ ATOM 701 C GLU A 86 -4.511 -0.648 78.416 1.00 98.25 C
702
+ ATOM 702 CA GLU A 86 -4.548 -2.160 78.623 1.00 98.25 C
703
+ ATOM 703 CB GLU A 86 -5.997 -2.641 78.722 1.00 98.25 C
704
+ ATOM 704 CD GLU A 86 -5.482 -4.859 77.597 1.00 98.25 C
705
+ ATOM 705 CG GLU A 86 -6.140 -4.155 78.773 1.00 98.25 C
706
+ ATOM 706 N GLU A 86 -3.796 -2.548 79.813 1.00 98.25 N
707
+ ATOM 707 O GLU A 86 -5.084 -0.134 77.453 1.00 98.25 O
708
+ ATOM 708 OE1 GLU A 86 -4.670 -5.786 77.822 1.00 98.25 O
709
+ ATOM 709 OE2 GLU A 86 -5.780 -4.482 76.442 1.00 98.25 O
710
+ ATOM 710 C SER A 87 -3.029 1.974 77.974 1.00 98.35 C
711
+ ATOM 711 CA SER A 87 -3.831 1.490 79.178 1.00 98.35 C
712
+ ATOM 712 CB SER A 87 -3.240 2.073 80.462 1.00 98.35 C
713
+ ATOM 713 N SER A 87 -3.860 0.033 79.242 1.00 98.35 N
714
+ ATOM 714 O SER A 87 -2.044 1.343 77.584 1.00 98.35 O
715
+ ATOM 715 OG SER A 87 -2.902 3.438 80.286 1.00 98.35 O
716
+ ATOM 716 C GLN A 88 -1.167 4.076 76.842 1.00 98.39 C
717
+ ATOM 717 CA GLN A 88 -2.592 3.745 76.410 1.00 98.39 C
718
+ ATOM 718 CB GLN A 88 -3.301 5.009 75.923 1.00 98.39 C
719
+ ATOM 719 CD GLN A 88 -2.666 4.619 73.503 1.00 98.39 C
720
+ ATOM 720 CG GLN A 88 -2.698 5.603 74.657 1.00 98.39 C
721
+ ATOM 721 N GLN A 88 -3.340 3.124 77.498 1.00 98.39 N
722
+ ATOM 722 NE2 GLN A 88 -1.543 4.569 72.795 1.00 98.39 N
723
+ ATOM 723 O GLN A 88 -0.234 3.991 76.041 1.00 98.39 O
724
+ ATOM 724 OE1 GLN A 88 -3.643 3.906 73.251 1.00 98.39 O
725
+ ATOM 725 C TYR A 89 1.194 3.412 78.573 1.00 98.40 C
726
+ ATOM 726 CA TYR A 89 0.338 4.669 78.658 1.00 98.40 C
727
+ ATOM 727 CB TYR A 89 0.259 5.151 80.110 1.00 98.40 C
728
+ ATOM 728 CD1 TYR A 89 0.388 7.652 79.783 1.00 98.40 C
729
+ ATOM 729 CD2 TYR A 89 -1.535 6.749 80.877 1.00 98.40 C
730
+ ATOM 730 CE1 TYR A 89 -0.129 8.935 79.919 1.00 98.40 C
731
+ ATOM 731 CE2 TYR A 89 -2.061 8.029 81.020 1.00 98.40 C
732
+ ATOM 732 CG TYR A 89 -0.306 6.542 80.260 1.00 98.40 C
733
+ ATOM 733 CZ TYR A 89 -1.352 9.115 80.538 1.00 98.40 C
734
+ ATOM 734 N TYR A 89 -0.998 4.429 78.124 1.00 98.40 N
735
+ ATOM 735 O TYR A 89 2.353 3.468 78.155 1.00 98.40 O
736
+ ATOM 736 OH TYR A 89 -1.868 10.383 80.676 1.00 98.40 O
737
+ ATOM 737 C THR A 90 1.650 0.612 77.479 1.00 98.78 C
738
+ ATOM 738 CA THR A 90 1.330 1.035 78.910 1.00 98.78 C
739
+ ATOM 739 CB THR A 90 0.528 -0.078 79.611 1.00 98.78 C
740
+ ATOM 740 CG2 THR A 90 1.265 -1.411 79.547 1.00 98.78 C
741
+ ATOM 741 N THR A 90 0.604 2.301 78.926 1.00 98.78 N
742
+ ATOM 742 O THR A 90 2.742 0.111 77.204 1.00 98.78 O
743
+ ATOM 743 OG1 THR A 90 0.326 0.279 80.984 1.00 98.78 O
744
+ ATOM 744 C LYS A 91 2.222 1.457 74.659 1.00 98.71 C
745
+ ATOM 745 CA LYS A 91 1.063 0.608 75.175 1.00 98.71 C
746
+ ATOM 746 CB LYS A 91 -0.189 0.863 74.334 1.00 98.71 C
747
+ ATOM 747 CD LYS A 91 -2.554 0.215 73.768 1.00 98.71 C
748
+ ATOM 748 CE LYS A 91 -3.716 -0.713 74.093 1.00 98.71 C
749
+ ATOM 749 CG LYS A 91 -1.319 -0.122 74.593 1.00 98.71 C
750
+ ATOM 750 N LYS A 91 0.799 0.882 76.585 1.00 98.71 N
751
+ ATOM 751 NZ LYS A 91 -4.972 -0.292 73.402 1.00 98.71 N
752
+ ATOM 752 O LYS A 91 3.100 0.955 73.955 1.00 98.71 O
753
+ ATOM 753 C THR A 92 4.651 3.125 75.257 1.00 98.80 C
754
+ ATOM 754 CA THR A 92 3.340 3.593 74.634 1.00 98.80 C
755
+ ATOM 755 CB THR A 92 3.056 5.046 75.058 1.00 98.80 C
756
+ ATOM 756 CG2 THR A 92 4.182 5.976 74.620 1.00 98.80 C
757
+ ATOM 757 N THR A 92 2.243 2.708 75.014 1.00 98.80 N
758
+ ATOM 758 O THR A 92 5.684 3.085 74.583 1.00 98.80 O
759
+ ATOM 759 OG1 THR A 92 1.830 5.483 74.457 1.00 98.80 O
760
+ ATOM 760 C ALA A 93 6.325 0.961 76.486 1.00 98.83 C
761
+ ATOM 761 CA ALA A 93 5.813 2.208 77.202 1.00 98.83 C
762
+ ATOM 762 CB ALA A 93 5.509 1.892 78.664 1.00 98.83 C
763
+ ATOM 763 N ALA A 93 4.625 2.743 76.539 1.00 98.83 N
764
+ ATOM 764 O ALA A 93 7.534 0.793 76.309 1.00 98.83 O
765
+ ATOM 765 C GLN A 94 6.458 -0.732 74.007 1.00 98.82 C
766
+ ATOM 766 CA GLN A 94 5.778 -1.091 75.326 1.00 98.82 C
767
+ ATOM 767 CB GLN A 94 4.546 -1.958 75.062 1.00 98.82 C
768
+ ATOM 768 CD GLN A 94 5.675 -4.208 75.323 1.00 98.82 C
769
+ ATOM 769 CG GLN A 94 4.864 -3.301 74.417 1.00 98.82 C
770
+ ATOM 770 N GLN A 94 5.412 0.108 76.072 1.00 98.82 N
771
+ ATOM 771 NE2 GLN A 94 6.885 -4.549 74.892 1.00 98.82 N
772
+ ATOM 772 O GLN A 94 7.440 -1.366 73.616 1.00 98.82 O
773
+ ATOM 773 OE1 GLN A 94 5.218 -4.600 76.402 1.00 98.82 O
774
+ ATOM 774 C GLU A 95 7.968 1.254 72.355 1.00 98.82 C
775
+ ATOM 775 CA GLU A 95 6.564 0.707 72.113 1.00 98.82 C
776
+ ATOM 776 CB GLU A 95 5.691 1.775 71.448 1.00 98.82 C
777
+ ATOM 777 CD GLU A 95 6.162 1.032 69.065 1.00 98.82 C
778
+ ATOM 778 CG GLU A 95 6.167 2.181 70.061 1.00 98.82 C
779
+ ATOM 779 N GLU A 95 5.954 0.249 73.357 1.00 98.82 N
780
+ ATOM 780 O GLU A 95 8.889 0.975 71.584 1.00 98.82 O
781
+ ATOM 781 OE1 GLU A 95 6.823 1.143 68.007 1.00 98.82 O
782
+ ATOM 782 OE2 GLU A 95 5.493 0.012 69.345 1.00 98.82 O
783
+ ATOM 783 C ILE A 96 10.460 1.326 74.004 1.00 98.81 C
784
+ ATOM 784 CA ILE A 96 9.493 2.494 73.821 1.00 98.81 C
785
+ ATOM 785 CB ILE A 96 9.415 3.333 75.116 1.00 98.81 C
786
+ ATOM 786 CD1 ILE A 96 8.259 5.386 76.124 1.00 98.81 C
787
+ ATOM 787 CG1 ILE A 96 8.670 4.646 74.858 1.00 98.81 C
788
+ ATOM 788 CG2 ILE A 96 10.817 3.598 75.673 1.00 98.81 C
789
+ ATOM 789 N ILE A 96 8.181 1.990 73.431 1.00 98.81 N
790
+ ATOM 790 O ILE A 96 11.572 1.342 73.467 1.00 98.81 O
791
+ ATOM 791 C VAL A 97 11.177 -1.624 73.620 1.00 98.77 C
792
+ ATOM 792 CA VAL A 97 10.858 -0.912 74.932 1.00 98.77 C
793
+ ATOM 793 CB VAL A 97 10.161 -1.885 75.910 1.00 98.77 C
794
+ ATOM 794 CG1 VAL A 97 10.915 -3.212 75.980 1.00 98.77 C
795
+ ATOM 795 CG2 VAL A 97 10.050 -1.256 77.298 1.00 98.77 C
796
+ ATOM 796 N VAL A 97 10.036 0.264 74.668 1.00 98.77 N
797
+ ATOM 797 O VAL A 97 12.325 -2.003 73.376 1.00 98.77 O
798
+ ATOM 798 C ASN A 98 11.409 -1.645 70.620 1.00 98.77 C
799
+ ATOM 799 CA ASN A 98 10.396 -2.393 71.484 1.00 98.77 C
800
+ ATOM 800 CB ASN A 98 9.063 -2.525 70.744 1.00 98.77 C
801
+ ATOM 801 CG ASN A 98 8.123 -3.513 71.407 1.00 98.77 C
802
+ ATOM 802 N ASN A 98 10.204 -1.739 72.773 1.00 98.77 N
803
+ ATOM 803 ND2 ASN A 98 6.843 -3.435 71.063 1.00 98.77 N
804
+ ATOM 804 O ASN A 98 12.307 -2.258 70.040 1.00 98.77 O
805
+ ATOM 805 OD1 ASN A 98 8.544 -4.339 72.220 1.00 98.77 O
806
+ ATOM 806 C VAL A 99 13.604 0.332 70.361 1.00 98.66 C
807
+ ATOM 807 CA VAL A 99 12.194 0.457 69.788 1.00 98.66 C
808
+ ATOM 808 CB VAL A 99 11.745 1.935 69.795 1.00 98.66 C
809
+ ATOM 809 CG1 VAL A 99 12.873 2.844 69.311 1.00 98.66 C
810
+ ATOM 810 CG2 VAL A 99 10.499 2.118 68.930 1.00 98.66 C
811
+ ATOM 811 N VAL A 99 11.276 -0.385 70.548 1.00 98.66 N
812
+ ATOM 812 O VAL A 99 14.580 0.256 69.612 1.00 98.66 O
813
+ ATOM 813 C CYS A 100 15.659 -1.224 71.897 1.00 98.71 C
814
+ ATOM 814 CA CYS A 100 15.026 0.091 72.336 1.00 98.71 C
815
+ ATOM 815 CB CYS A 100 14.861 0.107 73.855 1.00 98.71 C
816
+ ATOM 816 N CYS A 100 13.739 0.296 71.679 1.00 98.71 N
817
+ ATOM 817 O CYS A 100 16.795 -1.242 71.420 1.00 98.71 O
818
+ ATOM 818 SG CYS A 100 16.414 -0.088 74.757 1.00 98.71 S
819
+ ATOM 819 C TYR A 101 15.845 -3.676 70.141 1.00 98.37 C
820
+ ATOM 820 CA TYR A 101 15.412 -3.636 71.602 1.00 98.37 C
821
+ ATOM 821 CB TYR A 101 14.339 -4.698 71.858 1.00 98.37 C
822
+ ATOM 822 CD1 TYR A 101 15.321 -6.069 73.739 1.00 98.37 C
823
+ ATOM 823 CD2 TYR A 101 13.308 -4.852 74.155 1.00 98.37 C
824
+ ATOM 824 CE1 TYR A 101 15.309 -6.549 75.044 1.00 98.37 C
825
+ ATOM 825 CE2 TYR A 101 13.285 -5.327 75.463 1.00 98.37 C
826
+ ATOM 826 CG TYR A 101 14.323 -5.216 73.276 1.00 98.37 C
827
+ ATOM 827 CZ TYR A 101 14.290 -6.173 75.897 1.00 98.37 C
828
+ ATOM 828 N TYR A 101 14.920 -2.312 71.964 1.00 98.37 N
829
+ ATOM 829 O TYR A 101 16.931 -4.166 69.822 1.00 98.37 O
830
+ ATOM 830 OH TYR A 101 14.272 -6.645 77.190 1.00 98.37 O
831
+ ATOM 831 C GLN A 102 16.614 -2.361 67.590 1.00 98.43 C
832
+ ATOM 832 CA GLN A 102 15.337 -3.147 67.871 1.00 98.43 C
833
+ ATOM 833 CB GLN A 102 14.169 -2.550 67.084 1.00 98.43 C
834
+ ATOM 834 CD GLN A 102 11.757 -2.792 66.353 1.00 98.43 C
835
+ ATOM 835 CG GLN A 102 12.955 -3.465 66.997 1.00 98.43 C
836
+ ATOM 836 N GLN A 102 15.035 -3.168 69.299 1.00 98.43 N
837
+ ATOM 837 NE2 GLN A 102 10.639 -3.507 66.287 1.00 98.43 N
838
+ ATOM 838 O GLN A 102 17.479 -2.817 66.840 1.00 98.43 O
839
+ ATOM 839 OE1 GLN A 102 11.836 -1.638 65.920 1.00 98.43 O
840
+ ATOM 840 C THR A 103 19.190 -0.996 68.539 1.00 98.30 C
841
+ ATOM 841 CA THR A 103 17.921 -0.368 67.969 1.00 98.30 C
842
+ ATOM 842 CB THR A 103 17.721 1.034 68.575 1.00 98.30 C
843
+ ATOM 843 CG2 THR A 103 18.791 2.002 68.083 1.00 98.30 C
844
+ ATOM 844 N THR A 103 16.764 -1.221 68.219 1.00 98.30 N
845
+ ATOM 845 O THR A 103 20.252 -0.936 67.915 1.00 98.30 O
846
+ ATOM 846 OG1 THR A 103 16.432 1.532 68.198 1.00 98.30 O
847
+ ATOM 847 C LEU A 104 20.703 -3.425 69.322 1.00 98.29 C
848
+ ATOM 848 CA LEU A 104 20.247 -2.312 70.258 1.00 98.29 C
849
+ ATOM 849 CB LEU A 104 19.893 -2.893 71.629 1.00 98.29 C
850
+ ATOM 850 CD1 LEU A 104 19.256 -2.584 74.034 1.00 98.29 C
851
+ ATOM 851 CD2 LEU A 104 21.159 -1.267 73.063 1.00 98.29 C
852
+ ATOM 852 CG LEU A 104 19.797 -1.897 72.785 1.00 98.29 C
853
+ ATOM 853 N LEU A 104 19.108 -1.594 69.698 1.00 98.29 N
854
+ ATOM 854 O LEU A 104 21.902 -3.680 69.190 1.00 98.29 O
855
+ ATOM 855 C THR A 105 20.838 -4.589 66.559 1.00 97.90 C
856
+ ATOM 856 CA THR A 105 20.076 -5.141 67.761 1.00 97.90 C
857
+ ATOM 857 CB THR A 105 18.797 -5.851 67.278 1.00 97.90 C
858
+ ATOM 858 CG2 THR A 105 19.126 -6.971 66.298 1.00 97.90 C
859
+ ATOM 859 N THR A 105 19.764 -4.078 68.710 1.00 97.90 N
860
+ ATOM 860 O THR A 105 21.754 -5.235 66.048 1.00 97.90 O
861
+ ATOM 861 OG1 THR A 105 18.111 -6.406 68.408 1.00 97.90 O
862
+ ATOM 862 C GLU A 106 22.662 -2.476 65.370 1.00 97.29 C
863
+ ATOM 863 CA GLU A 106 21.200 -2.747 65.025 1.00 97.29 C
864
+ ATOM 864 CB GLU A 106 20.496 -1.440 64.654 1.00 97.29 C
865
+ ATOM 865 CD GLU A 106 18.329 -0.342 63.911 1.00 97.29 C
866
+ ATOM 866 CG GLU A 106 19.113 -1.637 64.052 1.00 97.29 C
867
+ ATOM 867 N GLU A 106 20.512 -3.407 66.131 1.00 97.29 N
868
+ ATOM 868 O GLU A 106 23.524 -2.476 64.488 1.00 97.29 O
869
+ ATOM 869 OE1 GLU A 106 17.139 -0.391 63.527 1.00 97.29 O
870
+ ATOM 870 OE2 GLU A 106 18.911 0.731 64.188 1.00 97.29 O
871
+ ATOM 871 C TYR A 107 24.960 -3.180 67.704 1.00 97.02 C
872
+ ATOM 872 CA TYR A 107 24.276 -1.963 67.090 1.00 97.02 C
873
+ ATOM 873 CB TYR A 107 24.229 -0.821 68.110 1.00 97.02 C
874
+ ATOM 874 CD1 TYR A 107 24.999 1.252 66.890 1.00 97.02 C
875
+ ATOM 875 CD2 TYR A 107 22.700 1.095 67.518 1.00 97.02 C
876
+ ATOM 876 CE1 TYR A 107 24.766 2.500 66.322 1.00 97.02 C
877
+ ATOM 877 CE2 TYR A 107 22.455 2.343 66.955 1.00 97.02 C
878
+ ATOM 878 CG TYR A 107 23.971 0.532 67.495 1.00 97.02 C
879
+ ATOM 879 CZ TYR A 107 23.493 3.036 66.360 1.00 97.02 C
880
+ ATOM 880 N TYR A 107 22.932 -2.296 66.632 1.00 97.02 N
881
+ ATOM 881 O TYR A 107 25.990 -3.051 68.370 1.00 97.02 O
882
+ ATOM 882 OH TYR A 107 23.257 4.273 65.800 1.00 97.02 O
883
+ ATOM 883 C ASP A 108 26.313 -5.809 68.161 1.00 97.33 C
884
+ ATOM 884 CA ASP A 108 24.813 -5.538 68.256 1.00 97.33 C
885
+ ATOM 885 CB ASP A 108 24.027 -6.750 67.753 1.00 97.33 C
886
+ ATOM 886 CG ASP A 108 24.298 -8.008 68.559 1.00 97.33 C
887
+ ATOM 887 N ASP A 108 24.447 -4.342 67.505 1.00 97.33 N
888
+ ATOM 888 O ASP A 108 26.985 -5.974 69.182 1.00 97.33 O
889
+ ATOM 889 OD1 ASP A 108 24.009 -8.028 69.775 1.00 97.33 O
890
+ ATOM 890 OD2 ASP A 108 24.807 -8.988 67.973 1.00 97.33 O
891
+ ATOM 891 C GLU A 109 29.188 -5.097 67.519 1.00 97.08 C
892
+ ATOM 892 CA GLU A 109 28.289 -6.111 66.816 1.00 97.08 C
893
+ ATOM 893 CB GLU A 109 28.627 -6.167 65.324 1.00 97.08 C
894
+ ATOM 894 CD GLU A 109 28.595 -7.546 63.190 1.00 97.08 C
895
+ ATOM 895 CG GLU A 109 28.096 -7.408 64.620 1.00 97.08 C
896
+ ATOM 896 N GLU A 109 26.879 -5.791 67.012 1.00 97.08 N
897
+ ATOM 897 O GLU A 109 30.113 -5.475 68.241 1.00 97.08 O
898
+ ATOM 898 OE1 GLU A 109 28.324 -8.589 62.551 1.00 97.08 O
899
+ ATOM 899 OE2 GLU A 109 29.262 -6.606 62.706 1.00 97.08 O
900
+ ATOM 900 C HIS A 110 29.603 -2.831 69.432 1.00 96.98 C
901
+ ATOM 901 CA HIS A 110 29.688 -2.796 67.910 1.00 96.98 C
902
+ ATOM 902 CB HIS A 110 29.233 -1.431 67.390 1.00 96.98 C
903
+ ATOM 903 CD2 HIS A 110 31.702 -0.710 67.057 1.00 96.98 C
904
+ ATOM 904 CE1 HIS A 110 31.335 1.264 66.175 1.00 96.98 C
905
+ ATOM 905 CG HIS A 110 30.361 -0.537 66.984 1.00 96.98 C
906
+ ATOM 906 N HIS A 110 28.890 -3.861 67.313 1.00 96.98 N
907
+ ATOM 907 ND1 HIS A 110 30.162 0.708 66.429 1.00 96.98 N
908
+ ATOM 908 NE2 HIS A 110 32.286 0.425 66.547 1.00 96.98 N
909
+ ATOM 909 O HIS A 110 30.624 -2.737 70.117 1.00 96.98 O
910
+ ATOM 910 C LEU A 111 28.904 -4.280 72.024 1.00 97.68 C
911
+ ATOM 911 CA LEU A 111 28.261 -3.044 71.405 1.00 97.68 C
912
+ ATOM 912 CB LEU A 111 26.767 -3.012 71.738 1.00 97.68 C
913
+ ATOM 913 CD1 LEU A 111 24.547 -1.847 71.692 1.00 97.68 C
914
+ ATOM 914 CD2 LEU A 111 26.588 -0.622 72.484 1.00 97.68 C
915
+ ATOM 915 CG LEU A 111 26.053 -1.676 71.522 1.00 97.68 C
916
+ ATOM 916 N LEU A 111 28.463 -3.022 69.960 1.00 97.68 N
917
+ ATOM 917 O LEU A 111 29.447 -4.215 73.130 1.00 97.68 O
918
+ ATOM 918 C THR A 112 30.963 -6.432 72.009 1.00 97.83 C
919
+ ATOM 919 CA THR A 112 29.462 -6.626 71.814 1.00 97.83 C
920
+ ATOM 920 CB THR A 112 29.214 -7.799 70.849 1.00 97.83 C
921
+ ATOM 921 CG2 THR A 112 29.952 -9.053 71.305 1.00 97.83 C
922
+ ATOM 922 N THR A 112 28.841 -5.399 71.327 1.00 97.83 N
923
+ ATOM 923 O THR A 112 31.513 -6.811 73.045 1.00 97.83 O
924
+ ATOM 924 OG1 THR A 112 27.809 -8.078 70.795 1.00 97.83 O
925
+ ATOM 925 C GLN A 113 33.330 -4.585 72.281 1.00 97.11 C
926
+ ATOM 926 CA GLN A 113 33.003 -5.551 71.147 1.00 97.11 C
927
+ ATOM 927 CB GLN A 113 33.534 -5.002 69.821 1.00 97.11 C
928
+ ATOM 928 CD GLN A 113 35.802 -6.098 70.071 1.00 97.11 C
929
+ ATOM 929 CG GLN A 113 35.044 -4.812 69.795 1.00 97.11 C
930
+ ATOM 930 N GLN A 113 31.567 -5.797 71.061 1.00 97.11 N
931
+ ATOM 931 NE2 GLN A 113 36.745 -6.041 71.006 1.00 97.11 N
932
+ ATOM 932 O GLN A 113 34.248 -4.828 73.066 1.00 97.11 O
933
+ ATOM 933 OE1 GLN A 113 35.542 -7.132 69.449 1.00 97.11 O
934
+ ATOM 934 C LEU A 114 32.671 -3.155 74.818 1.00 97.52 C
935
+ ATOM 935 CA LEU A 114 32.843 -2.533 73.437 1.00 97.52 C
936
+ ATOM 936 CB LEU A 114 31.887 -1.347 73.275 1.00 97.52 C
937
+ ATOM 937 CD1 LEU A 114 30.990 0.557 71.914 1.00 97.52 C
938
+ ATOM 938 CD2 LEU A 114 33.465 0.305 72.236 1.00 97.52 C
939
+ ATOM 939 CG LEU A 114 32.140 -0.431 72.077 1.00 97.52 C
940
+ ATOM 940 N LEU A 114 32.614 -3.521 72.389 1.00 97.52 N
941
+ ATOM 941 O LEU A 114 33.474 -2.907 75.720 1.00 97.52 O
942
+ ATOM 942 C GLU A 115 32.574 -5.535 76.653 1.00 97.24 C
943
+ ATOM 943 CA GLU A 115 31.401 -4.633 76.276 1.00 97.24 C
944
+ ATOM 944 CB GLU A 115 30.110 -5.452 76.207 1.00 97.24 C
945
+ ATOM 945 CD GLU A 115 27.572 -5.426 76.099 1.00 97.24 C
946
+ ATOM 946 CG GLU A 115 28.843 -4.611 76.274 1.00 97.24 C
947
+ ATOM 947 N GLU A 115 31.645 -3.951 75.009 1.00 97.24 N
948
+ ATOM 948 O GLU A 115 32.991 -5.567 77.813 1.00 97.24 O
949
+ ATOM 949 OE1 GLU A 115 26.563 -5.127 76.777 1.00 97.24 O
950
+ ATOM 950 OE2 GLU A 115 27.585 -6.371 75.279 1.00 97.24 O
951
+ ATOM 951 C LYS A 116 35.394 -6.356 76.368 1.00 96.48 C
952
+ ATOM 952 CA LYS A 116 34.165 -7.155 75.939 1.00 96.48 C
953
+ ATOM 953 CB LYS A 116 34.481 -7.970 74.685 1.00 96.48 C
954
+ ATOM 954 CD LYS A 116 35.860 -9.772 73.593 1.00 96.48 C
955
+ ATOM 955 CE LYS A 116 37.006 -10.758 73.767 1.00 96.48 C
956
+ ATOM 956 CG LYS A 116 35.591 -8.993 74.875 1.00 96.48 C
957
+ ATOM 957 N LYS A 116 33.024 -6.276 75.706 1.00 96.48 N
958
+ ATOM 958 NZ LYS A 116 37.275 -11.523 72.513 1.00 96.48 N
959
+ ATOM 959 O LYS A 116 36.082 -6.730 77.321 1.00 96.48 O
960
+ ATOM 960 C ASP A 117 36.744 -3.833 77.379 1.00 96.43 C
961
+ ATOM 961 CA ASP A 117 36.866 -4.461 75.993 1.00 96.43 C
962
+ ATOM 962 CB ASP A 117 37.024 -3.369 74.932 1.00 96.43 C
963
+ ATOM 963 CG ASP A 117 37.394 -3.919 73.565 1.00 96.43 C
964
+ ATOM 964 N ASP A 117 35.710 -5.301 75.694 1.00 96.43 N
965
+ ATOM 965 O ASP A 117 37.718 -3.792 78.135 1.00 96.43 O
966
+ ATOM 966 OD1 ASP A 117 37.847 -5.081 73.477 1.00 96.43 O
967
+ ATOM 967 OD2 ASP A 117 37.234 -3.183 72.568 1.00 96.43 O
968
+ ATOM 968 C ILE A 118 35.542 -3.816 80.137 1.00 95.45 C
969
+ ATOM 969 CA ILE A 118 35.330 -2.778 79.037 1.00 95.45 C
970
+ ATOM 970 CB ILE A 118 33.897 -2.204 79.111 1.00 95.45 C
971
+ ATOM 971 CD1 ILE A 118 32.345 -0.494 78.002 1.00 95.45 C
972
+ ATOM 972 CG1 ILE A 118 33.778 -0.952 78.236 1.00 95.45 C
973
+ ATOM 973 CG2 ILE A 118 33.512 -1.897 80.562 1.00 95.45 C
974
+ ATOM 974 N ILE A 118 35.597 -3.379 77.735 1.00 95.45 N
975
+ ATOM 975 O ILE A 118 36.173 -3.528 81.157 1.00 95.45 O
976
+ ATOM 976 C CYS A 119 36.622 -6.378 81.049 1.00 94.68 C
977
+ ATOM 977 CA CYS A 119 35.155 -6.022 80.839 1.00 94.68 C
978
+ ATOM 978 CB CYS A 119 34.378 -7.261 80.395 1.00 94.68 C
979
+ ATOM 979 N CYS A 119 35.013 -4.951 79.859 1.00 94.68 N
980
+ ATOM 980 O CYS A 119 37.074 -6.524 82.186 1.00 94.68 O
981
+ ATOM 981 SG CYS A 119 34.398 -8.604 81.603 1.00 94.68 S
982
+ ATOM 982 C THR A 120 39.538 -5.812 80.763 1.00 94.56 C
983
+ ATOM 983 CA THR A 120 38.734 -6.874 80.017 1.00 94.56 C
984
+ ATOM 984 CB THR A 120 39.313 -7.062 78.603 1.00 94.56 C
985
+ ATOM 985 CG2 THR A 120 40.793 -7.427 78.658 1.00 94.56 C
986
+ ATOM 986 N THR A 120 37.322 -6.513 79.968 1.00 94.56 N
987
+ ATOM 987 O THR A 120 40.399 -6.140 81.582 1.00 94.56 O
988
+ ATOM 988 OG1 THR A 120 38.599 -8.109 77.936 1.00 94.56 O
989
+ ATOM 989 C ALA A 121 39.643 -3.465 82.637 1.00 92.49 C
990
+ ATOM 990 CA ALA A 121 39.922 -3.461 81.136 1.00 92.49 C
991
+ ATOM 991 CB ALA A 121 39.495 -2.130 80.523 1.00 92.49 C
992
+ ATOM 992 N ALA A 121 39.241 -4.570 80.473 1.00 92.49 N
993
+ ATOM 993 O ALA A 121 40.541 -3.207 83.442 1.00 92.49 O
994
+ ATOM 994 C LYS A 122 38.851 -4.916 85.152 1.00 90.87 C
995
+ ATOM 995 CA LYS A 122 38.139 -3.776 84.431 1.00 90.87 C
996
+ ATOM 996 CB LYS A 122 36.624 -3.925 84.581 1.00 90.87 C
997
+ ATOM 997 CD LYS A 122 34.617 -3.963 86.099 1.00 90.87 C
998
+ ATOM 998 CE LYS A 122 34.137 -4.027 87.543 1.00 90.87 C
999
+ ATOM 999 CG LYS A 122 36.132 -3.825 86.017 1.00 90.87 C
1000
+ ATOM 1000 N LYS A 122 38.513 -3.729 83.021 1.00 90.87 N
1001
+ ATOM 1001 NZ LYS A 122 32.657 -4.210 87.628 1.00 90.87 N
1002
+ ATOM 1002 O LYS A 122 39.327 -4.747 86.277 1.00 90.87 O
1003
+ ATOM 1003 C GLU A 123 41.026 -6.940 85.323 1.00 91.42 C
1004
+ ATOM 1004 CA GLU A 123 39.534 -7.197 85.128 1.00 91.42 C
1005
+ ATOM 1005 CB GLU A 123 39.323 -8.433 84.249 1.00 91.42 C
1006
+ ATOM 1006 CD GLU A 123 37.659 -10.083 83.272 1.00 91.42 C
1007
+ ATOM 1007 CG GLU A 123 37.907 -8.986 84.294 1.00 91.42 C
1008
+ ATOM 1008 N GLU A 123 38.870 -6.035 84.546 1.00 91.42 N
1009
+ ATOM 1009 O GLU A 123 41.591 -7.293 86.360 1.00 91.42 O
1010
+ ATOM 1010 OE1 GLU A 123 36.609 -10.763 83.353 1.00 91.42 O
1011
+ ATOM 1011 OE2 GLU A 123 38.520 -10.266 82.383 1.00 91.42 O
1012
+ ATOM 1012 C ALA A 124 43.318 -5.016 85.571 1.00 91.97 C
1013
+ ATOM 1013 CA ALA A 124 43.047 -5.990 84.427 1.00 91.97 C
1014
+ ATOM 1014 CB ALA A 124 43.537 -5.404 83.106 1.00 91.97 C
1015
+ ATOM 1015 N ALA A 124 41.627 -6.320 84.343 1.00 91.97 N
1016
+ ATOM 1016 O ALA A 124 44.310 -5.155 86.291 1.00 91.97 O
1017
+ ATOM 1017 C ALA A 125 42.475 -3.712 88.251 1.00 91.47 C
1018
+ ATOM 1018 CA ALA A 125 42.640 -3.083 86.871 1.00 91.47 C
1019
+ ATOM 1019 CB ALA A 125 41.631 -1.953 86.679 1.00 91.47 C
1020
+ ATOM 1020 N ALA A 125 42.490 -4.083 85.817 1.00 91.47 N
1021
+ ATOM 1021 O ALA A 125 43.131 -3.299 89.210 1.00 91.47 O
1022
+ ATOM 1022 C LEU A 126 42.571 -6.265 89.994 1.00 89.40 C
1023
+ ATOM 1023 CA LEU A 126 41.389 -5.379 89.618 1.00 89.40 C
1024
+ ATOM 1024 CB LEU A 126 40.111 -6.219 89.536 1.00 89.40 C
1025
+ ATOM 1025 CD1 LEU A 126 39.144 -5.724 91.796 1.00 89.40 C
1026
+ ATOM 1026 CD2 LEU A 126 38.490 -7.823 90.585 1.00 89.40 C
1027
+ ATOM 1027 CG LEU A 126 39.612 -6.823 90.849 1.00 89.40 C
1028
+ ATOM 1028 N LEU A 126 41.633 -4.695 88.353 1.00 89.40 N
1029
+ ATOM 1029 O LEU A 126 42.901 -6.398 91.175 1.00 89.40 O
1030
+ ATOM 1030 C GLU A 127 45.599 -6.888 89.678 1.00 92.05 C
1031
+ ATOM 1031 CA GLU A 127 44.357 -7.675 89.268 1.00 92.05 C
1032
+ ATOM 1032 CB GLU A 127 44.647 -8.500 88.012 1.00 92.05 C
1033
+ ATOM 1033 CD GLU A 127 43.921 -10.404 86.496 1.00 92.05 C
1034
+ ATOM 1034 CG GLU A 127 43.665 -9.640 87.784 1.00 92.05 C
1035
+ ATOM 1035 N GLU A 127 43.219 -6.787 89.048 1.00 92.05 N
1036
+ ATOM 1036 O GLU A 127 46.453 -7.399 90.405 1.00 92.05 O
1037
+ ATOM 1037 OE1 GLU A 127 43.138 -11.325 86.169 1.00 92.05 O
1038
+ ATOM 1038 OE2 GLU A 127 44.915 -10.081 85.806 1.00 92.05 O
1039
+ ATOM 1039 C GLU A 128 46.785 -4.172 91.024 1.00 90.88 C
1040
+ ATOM 1040 CA GLU A 128 46.949 -4.840 89.662 1.00 90.88 C
1041
+ ATOM 1041 CB GLU A 128 47.152 -3.780 88.576 1.00 90.88 C
1042
+ ATOM 1042 CD GLU A 128 47.902 -3.271 86.203 1.00 90.88 C
1043
+ ATOM 1043 CG GLU A 128 47.668 -4.341 87.259 1.00 90.88 C
1044
+ ATOM 1044 N GLU A 128 45.799 -5.683 89.346 1.00 90.88 N
1045
+ ATOM 1045 O GLU A 128 47.739 -3.603 91.560 1.00 90.88 O
1046
+ ATOM 1046 OE1 GLU A 128 48.356 -3.610 85.086 1.00 90.88 O
1047
+ ATOM 1047 OE2 GLU A 128 47.629 -2.085 86.495 1.00 90.88 O
1048
+ ATOM 1048 C ALA A 129 45.670 -4.522 94.009 1.00 82.91 C
1049
+ ATOM 1049 CA ALA A 129 45.413 -3.561 92.851 1.00 82.91 C
1050
+ ATOM 1050 CB ALA A 129 43.981 -3.035 92.908 1.00 82.91 C
1051
+ ATOM 1051 N ALA A 129 45.666 -4.209 91.566 1.00 82.91 N
1052
+ ATOM 1052 O ALA A 129 46.279 -4.144 95.012 1.00 82.91 O
1053
+ TER 1053 ALA A 129
1054
+ END
6bqd/6bqd_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1054 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C ASP A 1 37.241 5.098 78.200 1.00 85.13 C
2
+ ATOM 2 CA ASP A 1 37.929 4.731 79.513 1.00 80.99 C
3
+ ATOM 3 CB ASP A 1 38.848 5.869 79.962 1.00 74.03 C
4
+ ATOM 4 CG ASP A 1 38.091 7.040 80.565 1.00 65.01 C
5
+ ATOM 5 N ASP A 1 38.682 3.487 79.383 1.00 79.27 N
6
+ ATOM 6 O ASP A 1 36.048 5.406 78.183 1.00 82.79 O
7
+ ATOM 7 OD1 ASP A 1 36.849 6.966 80.687 1.00 57.24 O
8
+ ATOM 8 OD2 ASP A 1 38.741 8.047 80.918 1.00 59.04 O
9
+ ATOM 9 C ASP A 2 36.271 4.398 75.406 1.00 92.51 C
10
+ ATOM 10 CA ASP A 2 37.456 5.285 75.782 1.00 91.26 C
11
+ ATOM 11 CB ASP A 2 38.521 5.231 74.685 1.00 88.34 C
12
+ ATOM 12 CG ASP A 2 39.533 6.358 74.785 1.00 78.27 C
13
+ ATOM 13 N ASP A 2 38.023 4.887 77.066 1.00 90.54 N
14
+ ATOM 14 O ASP A 2 35.272 4.882 74.870 1.00 92.00 O
15
+ ATOM 15 OD1 ASP A 2 39.313 7.308 75.566 1.00 70.97 O
16
+ ATOM 16 OD2 ASP A 2 40.561 6.296 74.075 1.00 74.62 O
17
+ ATOM 17 C ASP A 3 34.055 2.500 76.199 1.00 94.18 C
18
+ ATOM 18 CA ASP A 3 35.311 2.209 75.380 1.00 93.86 C
19
+ ATOM 19 CB ASP A 3 35.762 0.764 75.604 1.00 93.09 C
20
+ ATOM 20 CG ASP A 3 36.848 0.325 74.638 1.00 90.14 C
21
+ ATOM 21 N ASP A 3 36.386 3.138 75.718 1.00 93.41 N
22
+ ATOM 22 O ASP A 3 32.937 2.364 75.699 1.00 93.91 O
23
+ ATOM 23 OD1 ASP A 3 36.696 0.532 73.414 1.00 87.57 O
24
+ ATOM 24 OD2 ASP A 3 37.863 -0.236 75.103 1.00 87.26 O
25
+ ATOM 25 C GLN A 4 32.433 4.480 77.762 1.00 94.13 C
26
+ ATOM 26 CA GLN A 4 33.129 3.236 78.306 1.00 93.80 C
27
+ ATOM 27 CB GLN A 4 33.583 3.475 79.748 1.00 92.34 C
28
+ ATOM 28 CD GLN A 4 31.549 2.574 80.955 1.00 77.28 C
29
+ ATOM 29 CG GLN A 4 32.442 3.776 80.709 1.00 83.13 C
30
+ ATOM 30 N GLN A 4 34.261 2.857 77.468 1.00 93.63 N
31
+ ATOM 31 NE2 GLN A 4 30.264 2.717 80.649 1.00 68.71 N
32
+ ATOM 32 O GLN A 4 31.202 4.539 77.714 1.00 93.75 O
33
+ ATOM 33 OE1 GLN A 4 32.011 1.525 81.416 1.00 73.80 O
34
+ ATOM 34 C VAL A 5 31.863 6.326 75.493 1.00 94.69 C
35
+ ATOM 35 CA VAL A 5 32.627 6.641 76.777 1.00 94.48 C
36
+ ATOM 36 CB VAL A 5 33.742 7.672 76.493 1.00 93.65 C
37
+ ATOM 37 CG1 VAL A 5 33.196 8.853 75.692 1.00 87.93 C
38
+ ATOM 38 CG2 VAL A 5 34.367 8.155 77.801 1.00 87.23 C
39
+ ATOM 39 N VAL A 5 33.167 5.410 77.345 1.00 94.36 N
40
+ ATOM 40 O VAL A 5 30.764 6.840 75.276 1.00 94.39 O
41
+ ATOM 41 C ALA A 6 30.492 4.339 73.701 1.00 95.36 C
42
+ ATOM 42 CA ALA A 6 31.801 5.071 73.419 1.00 95.10 C
43
+ ATOM 43 CB ALA A 6 32.735 4.189 72.596 1.00 94.49 C
44
+ ATOM 44 N ALA A 6 32.451 5.481 74.662 1.00 94.95 N
45
+ ATOM 45 O ALA A 6 29.481 4.585 73.040 1.00 95.18 O
46
+ ATOM 46 C PHE A 7 28.277 3.612 75.560 1.00 95.61 C
47
+ ATOM 47 CA PHE A 7 29.384 2.683 75.076 1.00 95.52 C
48
+ ATOM 48 CB PHE A 7 29.747 1.680 76.176 1.00 95.31 C
49
+ ATOM 49 CD1 PHE A 7 28.253 -0.291 75.716 1.00 93.99 C
50
+ ATOM 50 CD2 PHE A 7 27.927 0.937 77.742 1.00 93.75 C
51
+ ATOM 51 CE1 PHE A 7 27.210 -1.147 76.062 1.00 93.15 C
52
+ ATOM 52 CE2 PHE A 7 26.883 0.086 78.094 1.00 93.26 C
53
+ ATOM 53 CG PHE A 7 28.620 0.757 76.552 1.00 94.89 C
54
+ ATOM 54 CZ PHE A 7 26.526 -0.955 77.252 1.00 92.45 C
55
+ ATOM 55 N PHE A 7 30.559 3.444 74.667 1.00 95.24 N
56
+ ATOM 56 O PHE A 7 27.135 3.513 75.109 1.00 95.45 O
57
+ ATOM 57 C SER A 8 27.092 6.410 75.838 1.00 95.92 C
58
+ ATOM 58 CA SER A 8 27.658 5.531 76.946 1.00 95.92 C
59
+ ATOM 59 CB SER A 8 28.332 6.404 78.007 1.00 95.45 C
60
+ ATOM 60 N SER A 8 28.601 4.552 76.415 1.00 95.85 N
61
+ ATOM 61 O SER A 8 25.901 6.733 75.840 1.00 95.66 O
62
+ ATOM 62 OG SER A 8 28.628 5.646 79.168 1.00 89.88 O
63
+ ATOM 63 C PHE A 9 26.464 6.863 73.001 1.00 95.87 C
64
+ ATOM 64 CA PHE A 9 27.528 7.571 73.832 1.00 95.76 C
65
+ ATOM 65 CB PHE A 9 28.719 7.951 72.945 1.00 95.10 C
66
+ ATOM 66 CD1 PHE A 9 28.113 10.154 71.894 1.00 81.18 C
67
+ ATOM 67 CD2 PHE A 9 28.228 8.218 70.495 1.00 80.50 C
68
+ ATOM 68 CE1 PHE A 9 27.768 10.935 70.794 1.00 80.54 C
69
+ ATOM 69 CE2 PHE A 9 27.883 8.992 69.390 1.00 79.31 C
70
+ ATOM 70 CG PHE A 9 28.346 8.791 71.755 1.00 90.56 C
71
+ ATOM 71 CZ PHE A 9 27.652 10.350 69.542 1.00 77.92 C
72
+ ATOM 72 N PHE A 9 27.962 6.731 74.941 1.00 95.76 N
73
+ ATOM 73 O PHE A 9 25.462 7.471 72.619 1.00 95.61 O
74
+ ATOM 74 C ILE A 10 24.385 4.743 72.693 1.00 96.36 C
75
+ ATOM 75 CA ILE A 10 25.710 4.845 71.942 1.00 96.21 C
76
+ ATOM 76 CB ILE A 10 26.253 3.435 71.619 1.00 95.80 C
77
+ ATOM 77 CD1 ILE A 10 28.189 2.215 70.465 1.00 88.42 C
78
+ ATOM 78 CG1 ILE A 10 27.443 3.528 70.656 1.00 93.22 C
79
+ ATOM 79 CG2 ILE A 10 25.147 2.549 71.039 1.00 92.93 C
80
+ ATOM 80 N ILE A 10 26.664 5.619 72.727 1.00 96.13 N
81
+ ATOM 81 O ILE A 10 23.316 4.954 72.115 1.00 96.22 O
82
+ ATOM 82 C LEU A 11 22.436 5.656 74.810 1.00 96.96 C
83
+ ATOM 83 CA LEU A 11 23.190 4.332 74.770 1.00 96.90 C
84
+ ATOM 84 CB LEU A 11 23.532 3.883 76.193 1.00 96.71 C
85
+ ATOM 85 CD1 LEU A 11 24.217 2.096 77.813 1.00 93.73 C
86
+ ATOM 86 CD2 LEU A 11 23.254 1.463 75.584 1.00 93.42 C
87
+ ATOM 87 CG LEU A 11 24.110 2.475 76.340 1.00 95.83 C
88
+ ATOM 88 N LEU A 11 24.403 4.449 73.967 1.00 96.85 N
89
+ ATOM 89 O LEU A 11 21.211 5.681 74.661 1.00 96.84 O
90
+ ATOM 90 C ASP A 12 21.792 8.391 73.785 1.00 96.91 C
91
+ ATOM 91 CA ASP A 12 22.478 8.042 75.105 1.00 96.97 C
92
+ ATOM 92 CB ASP A 12 23.477 9.138 75.484 1.00 96.57 C
93
+ ATOM 93 CG ASP A 12 22.807 10.453 75.843 1.00 94.13 C
94
+ ATOM 94 N ASP A 12 23.144 6.746 75.025 1.00 97.02 N
95
+ ATOM 95 O ASP A 12 20.695 8.953 73.779 1.00 96.66 O
96
+ ATOM 96 OD1 ASP A 12 22.030 10.495 76.821 1.00 89.02 O
97
+ ATOM 97 OD2 ASP A 12 23.057 11.455 75.139 1.00 88.73 O
98
+ ATOM 98 C ASN A 13 20.551 7.439 71.204 1.00 96.65 C
99
+ ATOM 99 CA ASN A 13 21.827 8.259 71.372 1.00 96.53 C
100
+ ATOM 100 CB ASN A 13 22.816 7.937 70.249 1.00 95.66 C
101
+ ATOM 101 CG ASN A 13 23.806 9.059 70.003 1.00 81.96 C
102
+ ATOM 102 N ASN A 13 22.443 8.034 72.675 1.00 96.64 N
103
+ ATOM 103 ND2 ASN A 13 24.968 8.715 69.461 1.00 63.97 N
104
+ ATOM 104 O ASN A 13 19.565 7.924 70.647 1.00 96.38 O
105
+ ATOM 105 OD1 ASN A 13 23.529 10.224 70.298 1.00 66.55 O
106
+ ATOM 106 C ILE A 14 18.297 6.003 72.446 1.00 97.06 C
107
+ ATOM 107 CA ILE A 14 19.441 5.385 71.646 1.00 96.96 C
108
+ ATOM 108 CB ILE A 14 19.742 3.957 72.157 1.00 96.64 C
109
+ ATOM 109 CD1 ILE A 14 21.238 1.918 71.747 1.00 89.99 C
110
+ ATOM 110 CG1 ILE A 14 20.728 3.251 71.219 1.00 94.36 C
111
+ ATOM 111 CG2 ILE A 14 18.449 3.151 72.301 1.00 94.27 C
112
+ ATOM 112 N ILE A 14 20.619 6.241 71.728 1.00 96.92 N
113
+ ATOM 113 O ILE A 14 17.161 6.065 71.970 1.00 96.93 O
114
+ ATOM 114 C VAL A 15 17.020 8.416 73.792 1.00 97.21 C
115
+ ATOM 115 CA VAL A 15 17.536 7.138 74.447 1.00 97.25 C
116
+ ATOM 116 CB VAL A 15 18.072 7.443 75.863 1.00 97.03 C
117
+ ATOM 117 CG1 VAL A 15 17.014 8.161 76.698 1.00 95.96 C
118
+ ATOM 118 CG2 VAL A 15 18.518 6.155 76.553 1.00 95.94 C
119
+ ATOM 119 N VAL A 15 18.562 6.530 73.604 1.00 97.29 N
120
+ ATOM 120 O VAL A 15 15.814 8.571 73.581 1.00 96.99 O
121
+ ATOM 121 C THR A 16 16.881 10.599 71.556 1.00 95.94 C
122
+ ATOM 122 CA THR A 16 17.477 10.629 72.961 1.00 96.19 C
123
+ ATOM 123 CB THR A 16 18.672 11.599 72.995 1.00 95.38 C
124
+ ATOM 124 CG2 THR A 16 19.159 11.824 74.422 1.00 80.56 C
125
+ ATOM 125 N THR A 16 17.871 9.290 73.384 1.00 96.41 N
126
+ ATOM 126 O THR A 16 15.885 11.271 71.284 1.00 95.25 O
127
+ ATOM 127 OG1 THR A 16 19.745 11.054 72.216 1.00 77.51 O
128
+ ATOM 128 C GLN A 17 15.989 8.876 68.966 1.00 95.48 C
129
+ ATOM 129 CA GLN A 17 17.089 9.886 69.283 1.00 95.47 C
130
+ ATOM 130 CB GLN A 17 18.297 9.650 68.375 1.00 94.58 C
131
+ ATOM 131 CD GLN A 17 18.936 12.098 68.282 1.00 78.18 C
132
+ ATOM 132 CG GLN A 17 19.405 10.679 68.548 1.00 86.39 C
133
+ ATOM 133 N GLN A 17 17.480 9.813 70.688 1.00 95.65 N
134
+ ATOM 134 NE2 GLN A 17 19.316 13.021 69.159 1.00 67.48 N
135
+ ATOM 135 O GLN A 17 15.195 9.082 68.046 1.00 94.91 O
136
+ ATOM 136 OE1 GLN A 17 18.240 12.361 67.297 1.00 75.41 O
137
+ ATOM 137 C LYS A 18 13.871 6.588 70.318 1.00 95.97 C
138
+ ATOM 138 CA LYS A 18 14.998 6.700 69.297 1.00 95.81 C
139
+ ATOM 139 CB LYS A 18 15.730 5.362 69.175 1.00 95.32 C
140
+ ATOM 140 CD LYS A 18 16.244 5.480 66.713 1.00 89.49 C
141
+ ATOM 141 CE LYS A 18 17.315 5.305 65.646 1.00 84.78 C
142
+ ATOM 142 CG LYS A 18 16.823 5.349 68.116 1.00 93.00 C
143
+ ATOM 143 N LYS A 18 15.931 7.764 69.655 1.00 95.80 N
144
+ ATOM 144 NZ LYS A 18 16.731 5.272 64.273 1.00 77.90 N
145
+ ATOM 145 O LYS A 18 12.696 6.726 69.973 1.00 95.72 O
146
+ ATOM 146 C MET A 19 12.352 7.406 72.847 1.00 96.70 C
147
+ ATOM 147 CA MET A 19 13.190 6.160 72.581 1.00 96.83 C
148
+ ATOM 148 CB MET A 19 13.840 5.680 73.881 1.00 96.79 C
149
+ ATOM 149 CE MET A 19 14.172 3.653 76.421 1.00 94.75 C
150
+ ATOM 150 CG MET A 19 14.580 4.360 73.744 1.00 96.57 C
151
+ ATOM 151 N MET A 19 14.204 6.421 71.564 1.00 96.80 N
152
+ ATOM 152 O MET A 19 11.123 7.337 72.884 1.00 96.42 O
153
+ ATOM 153 SD MET A 19 15.533 3.929 75.252 1.00 96.39 S
154
+ ATOM 154 C MET A 20 11.501 10.321 72.011 1.00 96.04 C
155
+ ATOM 155 CA MET A 20 12.249 9.825 73.244 1.00 96.33 C
156
+ ATOM 156 CB MET A 20 13.213 10.904 73.740 1.00 96.03 C
157
+ ATOM 157 CE MET A 20 13.659 13.264 76.101 1.00 90.97 C
158
+ ATOM 158 CG MET A 20 13.763 10.640 75.133 1.00 95.15 C
159
+ ATOM 159 N MET A 20 12.968 8.588 72.955 1.00 96.36 N
160
+ ATOM 160 O MET A 20 10.683 11.238 72.102 1.00 95.44 O
161
+ ATOM 161 SD MET A 20 14.878 11.978 75.712 1.00 95.00 S
162
+ ATOM 162 C ALA A 21 9.830 9.325 69.455 1.00 95.38 C
163
+ ATOM 163 CA ALA A 21 11.135 10.095 69.643 1.00 95.46 C
164
+ ATOM 164 CB ALA A 21 12.064 9.862 68.454 1.00 94.80 C
165
+ ATOM 165 N ALA A 21 11.796 9.710 70.888 1.00 95.57 N
166
+ ATOM 166 O ALA A 21 9.055 9.620 68.542 1.00 94.83 O
167
+ ATOM 167 C VAL A 22 7.189 8.534 70.440 1.00 95.86 C
168
+ ATOM 168 CA VAL A 22 8.359 7.581 70.206 1.00 96.00 C
169
+ ATOM 169 CB VAL A 22 8.324 6.431 71.237 1.00 95.75 C
170
+ ATOM 170 CG1 VAL A 22 6.924 5.825 71.322 1.00 94.49 C
171
+ ATOM 171 CG2 VAL A 22 9.351 5.360 70.877 1.00 94.33 C
172
+ ATOM 172 N VAL A 22 9.617 8.318 70.268 1.00 95.98 N
173
+ ATOM 173 O VAL A 22 7.200 9.320 71.391 1.00 95.50 O
174
+ ATOM 174 C PRO A 23 4.361 9.176 71.109 1.00 95.32 C
175
+ ATOM 175 CA PRO A 23 5.010 9.355 69.738 1.00 95.34 C
176
+ ATOM 176 CB PRO A 23 4.057 8.919 68.622 1.00 94.77 C
177
+ ATOM 177 CD PRO A 23 6.109 7.667 68.252 1.00 91.42 C
178
+ ATOM 178 CG PRO A 23 4.943 8.327 67.574 1.00 92.91 C
179
+ ATOM 179 N PRO A 23 6.174 8.487 69.546 1.00 95.31 N
180
+ ATOM 180 O PRO A 23 4.273 8.054 71.613 1.00 94.91 O
181
+ ATOM 181 C ASP A 24 4.058 9.791 74.144 1.00 95.18 C
182
+ ATOM 182 CA ASP A 24 3.220 10.349 72.996 1.00 95.04 C
183
+ ATOM 183 CB ASP A 24 1.908 9.570 72.877 1.00 93.89 C
184
+ ATOM 184 CG ASP A 24 0.948 10.177 71.870 1.00 88.51 C
185
+ ATOM 185 N ASP A 24 3.957 10.305 71.738 1.00 95.05 N
186
+ ATOM 186 O ASP A 24 3.515 9.324 75.147 1.00 94.53 O
187
+ ATOM 187 OD1 ASP A 24 0.835 11.420 71.807 1.00 81.25 O
188
+ ATOM 188 OD2 ASP A 24 0.296 9.405 71.134 1.00 84.13 O
189
+ ATOM 189 C SER A 25 6.584 10.283 76.093 1.00 95.90 C
190
+ ATOM 190 CA SER A 25 6.251 9.271 75.002 1.00 96.14 C
191
+ ATOM 191 CB SER A 25 7.541 8.766 74.353 1.00 95.73 C
192
+ ATOM 192 N SER A 25 5.365 9.848 73.997 1.00 96.01 N
193
+ ATOM 193 O SER A 25 7.311 9.969 77.038 1.00 95.21 O
194
+ ATOM 194 OG SER A 25 8.246 9.831 73.739 1.00 91.87 O
195
+ ATOM 195 C TRP A 26 6.191 12.282 78.351 1.00 95.57 C
196
+ ATOM 196 CA TRP A 26 6.493 12.600 76.891 1.00 95.54 C
197
+ ATOM 197 CB TRP A 26 5.775 13.887 76.477 1.00 93.62 C
198
+ ATOM 198 CD1 TRP A 26 3.423 13.370 75.591 1.00 62.60 C
199
+ ATOM 199 CD2 TRP A 26 3.467 14.174 77.679 1.00 63.57 C
200
+ ATOM 200 CE2 TRP A 26 2.124 13.934 77.316 1.00 51.49 C
201
+ ATOM 201 CE3 TRP A 26 3.744 14.684 78.955 1.00 52.12 C
202
+ ATOM 202 CG TRP A 26 4.281 13.805 76.562 1.00 74.69 C
203
+ ATOM 203 CH2 TRP A 26 1.357 14.687 79.425 1.00 55.38 C
204
+ ATOM 204 CZ2 TRP A 26 1.059 14.188 78.184 1.00 70.80 C
205
+ ATOM 205 CZ3 TRP A 26 2.683 14.935 79.817 1.00 50.27 C
206
+ ATOM 206 N TRP A 26 6.102 11.493 76.024 1.00 95.57 N
207
+ ATOM 207 NE1 TRP A 26 2.124 13.445 76.038 1.00 68.85 N
208
+ ATOM 208 O TRP A 26 6.925 12.701 79.250 1.00 94.76 O
209
+ ATOM 209 C PRO A 27 6.050 10.360 80.740 1.00 95.31 C
210
+ ATOM 210 CA PRO A 27 4.907 11.156 80.114 1.00 95.13 C
211
+ ATOM 211 CB PRO A 27 3.614 10.338 80.103 1.00 94.73 C
212
+ ATOM 212 CD PRO A 27 3.899 11.042 77.793 1.00 93.83 C
213
+ ATOM 213 CG PRO A 27 2.889 10.785 78.875 1.00 94.27 C
214
+ ATOM 214 N PRO A 27 5.131 11.451 78.698 1.00 95.00 N
215
+ ATOM 215 O PRO A 27 6.164 10.295 81.966 1.00 95.01 O
216
+ ATOM 216 C PHE A 28 9.368 9.596 80.352 1.00 96.98 C
217
+ ATOM 217 CA PHE A 28 8.010 8.907 80.411 1.00 96.93 C
218
+ ATOM 218 CB PHE A 28 8.045 7.608 79.599 1.00 96.77 C
219
+ ATOM 219 CD1 PHE A 28 6.505 5.994 80.763 1.00 95.45 C
220
+ ATOM 220 CD2 PHE A 28 5.834 6.883 78.648 1.00 95.28 C
221
+ ATOM 221 CE1 PHE A 28 5.325 5.257 80.834 1.00 94.37 C
222
+ ATOM 222 CE2 PHE A 28 4.653 6.149 78.710 1.00 94.41 C
223
+ ATOM 223 CG PHE A 28 6.769 6.813 79.672 1.00 96.38 C
224
+ ATOM 224 CZ PHE A 28 4.401 5.336 79.804 1.00 93.87 C
225
+ ATOM 225 N PHE A 28 6.960 9.791 79.920 1.00 96.83 N
226
+ ATOM 226 O PHE A 28 10.394 8.985 80.660 1.00 96.72 O
227
+ ATOM 227 C HIS A 29 11.202 11.996 81.054 1.00 96.48 C
228
+ ATOM 228 CA HIS A 29 10.611 11.571 79.715 1.00 96.66 C
229
+ ATOM 229 CB HIS A 29 10.420 12.793 78.813 1.00 96.38 C
230
+ ATOM 230 CD2 HIS A 29 9.922 11.259 76.781 1.00 92.84 C
231
+ ATOM 231 CE1 HIS A 29 9.921 12.800 75.221 1.00 91.61 C
232
+ ATOM 232 CG HIS A 29 10.171 12.448 77.379 1.00 95.50 C
233
+ ATOM 233 N HIS A 29 9.346 10.869 79.896 1.00 96.72 N
234
+ ATOM 234 ND1 HIS A 29 10.164 13.394 76.378 1.00 92.37 N
235
+ ATOM 235 NE2 HIS A 29 9.770 11.505 75.438 1.00 92.57 N
236
+ ATOM 236 O HIS A 29 12.422 11.978 81.233 1.00 96.05 O
237
+ ATOM 237 C HIS A 30 10.065 12.207 84.462 1.00 95.99 C
238
+ ATOM 238 CA HIS A 30 10.750 12.921 83.302 1.00 95.94 C
239
+ ATOM 239 CB HIS A 30 10.453 14.420 83.360 1.00 95.08 C
240
+ ATOM 240 CD2 HIS A 30 10.648 15.915 81.249 1.00 76.82 C
241
+ ATOM 241 CE1 HIS A 30 12.834 16.083 81.187 1.00 75.04 C
242
+ ATOM 242 CG HIS A 30 11.144 15.211 82.294 1.00 89.20 C
243
+ ATOM 243 N HIS A 30 10.329 12.367 82.020 1.00 95.98 N
244
+ ATOM 244 ND1 HIS A 30 12.514 15.334 82.229 1.00 72.93 N
245
+ ATOM 245 NE2 HIS A 30 11.720 16.448 80.576 1.00 73.76 N
246
+ ATOM 246 O HIS A 30 9.067 11.509 84.266 1.00 95.68 O
247
+ ATOM 247 C PRO A 31 8.549 12.262 86.944 1.00 95.11 C
248
+ ATOM 248 CA PRO A 31 9.982 11.756 86.802 1.00 95.25 C
249
+ ATOM 249 CB PRO A 31 10.850 12.243 87.965 1.00 94.68 C
250
+ ATOM 250 CD PRO A 31 12.054 12.942 85.970 1.00 91.98 C
251
+ ATOM 251 CG PRO A 31 12.210 12.430 87.374 1.00 93.17 C
252
+ ATOM 252 N PRO A 31 10.660 12.302 85.624 1.00 95.19 N
253
+ ATOM 253 O PRO A 31 8.258 13.411 86.604 1.00 94.65 O
254
+ ATOM 254 C VAL A 32 6.164 12.831 88.575 1.00 94.21 C
255
+ ATOM 255 CA VAL A 32 6.268 11.737 87.516 1.00 94.71 C
256
+ ATOM 256 CB VAL A 32 5.422 10.512 87.929 1.00 94.15 C
257
+ ATOM 257 CG1 VAL A 32 3.994 10.932 88.270 1.00 91.21 C
258
+ ATOM 258 CG2 VAL A 32 5.423 9.463 86.818 1.00 90.78 C
259
+ ATOM 259 N VAL A 32 7.668 11.378 87.313 1.00 94.80 N
260
+ ATOM 260 O VAL A 32 6.782 12.737 89.637 1.00 93.21 O
261
+ ATOM 261 C ASN A 33 4.255 14.607 90.277 1.00 93.32 C
262
+ ATOM 262 CA ASN A 33 5.243 14.983 89.177 1.00 93.15 C
263
+ ATOM 263 CB ASN A 33 4.757 16.226 88.429 1.00 91.89 C
264
+ ATOM 264 CG ASN A 33 4.724 17.461 89.308 1.00 86.47 C
265
+ ATOM 265 N ASN A 33 5.457 13.878 88.248 1.00 93.18 N
266
+ ATOM 266 ND2 ASN A 33 5.052 18.609 88.729 1.00 82.18 N
267
+ ATOM 267 O ASN A 33 3.079 14.362 90.004 1.00 92.67 O
268
+ ATOM 268 OD1 ASN A 33 4.407 17.383 90.497 1.00 82.93 O
269
+ ATOM 269 C LYS A 34 2.725 15.152 92.748 1.00 92.72 C
270
+ ATOM 270 CA LYS A 34 3.929 14.231 92.567 1.00 92.64 C
271
+ ATOM 271 CB LYS A 34 4.779 14.222 93.838 1.00 89.95 C
272
+ ATOM 272 CD LYS A 34 4.983 13.609 96.271 1.00 73.42 C
273
+ ATOM 273 CE LYS A 34 4.251 13.104 97.507 1.00 65.08 C
274
+ ATOM 274 CG LYS A 34 4.065 13.657 95.056 1.00 77.32 C
275
+ ATOM 275 N LYS A 34 4.731 14.636 91.416 1.00 92.98 N
276
+ ATOM 276 NZ LYS A 34 5.138 13.088 98.708 1.00 60.23 N
277
+ ATOM 277 O LYS A 34 1.684 14.729 93.255 1.00 91.70 O
278
+ ATOM 278 C LYS A 35 0.564 16.926 91.657 1.00 92.14 C
279
+ ATOM 279 CA LYS A 35 1.752 17.342 92.521 1.00 92.01 C
280
+ ATOM 280 CB LYS A 35 2.227 18.740 92.123 1.00 90.04 C
281
+ ATOM 281 CD LYS A 35 1.725 21.200 91.940 1.00 75.13 C
282
+ ATOM 282 CE LYS A 35 0.664 22.281 92.087 1.00 66.91 C
283
+ ATOM 283 CG LYS A 35 1.191 19.831 92.345 1.00 79.75 C
284
+ ATOM 284 N LYS A 35 2.844 16.378 92.412 1.00 92.47 N
285
+ ATOM 285 NZ LYS A 35 1.167 23.615 91.640 1.00 61.98 N
286
+ ATOM 286 O LYS A 35 -0.589 17.092 92.058 1.00 91.15 O
287
+ ATOM 287 C PHE A 36 -0.711 14.507 89.811 1.00 91.70 C
288
+ ATOM 288 CA PHE A 36 -0.233 15.939 89.605 1.00 91.42 C
289
+ ATOM 289 CB PHE A 36 0.258 16.126 88.166 1.00 90.04 C
290
+ ATOM 290 CD1 PHE A 36 -0.367 18.562 88.112 1.00 78.86 C
291
+ ATOM 291 CD2 PHE A 36 1.721 17.902 87.152 1.00 79.06 C
292
+ ATOM 292 CE1 PHE A 36 -0.106 19.890 87.777 1.00 78.31 C
293
+ ATOM 293 CE2 PHE A 36 1.988 19.225 86.815 1.00 79.29 C
294
+ ATOM 294 CG PHE A 36 0.543 17.559 87.803 1.00 84.32 C
295
+ ATOM 295 CZ PHE A 36 1.073 20.217 87.128 1.00 75.43 C
296
+ ATOM 296 N PHE A 36 0.820 16.276 90.554 1.00 91.43 N
297
+ ATOM 297 O PHE A 36 -1.858 14.177 89.500 1.00 90.85 O
298
+ ATOM 298 C VAL A 37 0.258 11.913 91.951 1.00 93.69 C
299
+ ATOM 299 CA VAL A 37 -0.145 12.277 90.523 1.00 93.57 C
300
+ ATOM 300 CB VAL A 37 0.560 11.342 89.515 1.00 92.46 C
301
+ ATOM 301 CG1 VAL A 37 -0.018 9.931 89.593 1.00 88.57 C
302
+ ATOM 302 CG2 VAL A 37 0.438 11.897 88.098 1.00 88.29 C
303
+ ATOM 303 N VAL A 37 0.168 13.679 90.264 1.00 93.38 N
304
+ ATOM 304 O VAL A 37 1.263 11.232 92.164 1.00 92.68 O
305
+ ATOM 305 C PRO A 38 0.130 10.791 94.901 1.00 93.36 C
306
+ ATOM 306 CA PRO A 38 -0.086 12.208 94.375 1.00 93.68 C
307
+ ATOM 307 CB PRO A 38 -1.257 12.885 95.092 1.00 92.30 C
308
+ ATOM 308 CD PRO A 38 -1.705 13.033 92.706 1.00 90.52 C
309
+ ATOM 309 CG PRO A 38 -1.939 13.693 94.036 1.00 90.49 C
310
+ ATOM 310 N PRO A 38 -0.494 12.232 92.968 1.00 93.59 N
311
+ ATOM 311 O PRO A 38 0.900 10.590 95.845 1.00 92.23 O
312
+ ATOM 312 C ASP A 39 0.734 7.583 94.166 1.00 96.04 C
313
+ ATOM 313 CA ASP A 39 -0.333 8.380 94.914 1.00 95.61 C
314
+ ATOM 314 CB ASP A 39 -1.675 7.646 94.858 1.00 94.36 C
315
+ ATOM 315 CG ASP A 39 -2.222 7.520 93.447 1.00 90.02 C
316
+ ATOM 316 N ASP A 39 -0.463 9.727 94.366 1.00 95.52 N
317
+ ATOM 317 O ASP A 39 0.978 6.416 94.481 1.00 95.68 O
318
+ ATOM 318 OD1 ASP A 39 -1.895 8.366 92.587 1.00 87.55 O
319
+ ATOM 319 OD2 ASP A 39 -2.991 6.568 93.194 1.00 86.25 O
320
+ ATOM 320 C TYR A 40 3.334 6.715 93.066 1.00 96.23 C
321
+ ATOM 321 CA TYR A 40 2.216 7.379 92.272 1.00 96.19 C
322
+ ATOM 322 CB TYR A 40 2.811 8.296 91.199 1.00 95.94 C
323
+ ATOM 323 CD1 TYR A 40 3.145 6.732 89.243 1.00 94.83 C
324
+ ATOM 324 CD2 TYR A 40 5.073 7.741 90.231 1.00 94.59 C
325
+ ATOM 325 CE1 TYR A 40 3.954 6.066 88.328 1.00 93.78 C
326
+ ATOM 326 CE2 TYR A 40 5.892 7.079 89.320 1.00 93.72 C
327
+ ATOM 327 CG TYR A 40 3.692 7.577 90.207 1.00 95.54 C
328
+ ATOM 328 CZ TYR A 40 5.323 6.246 88.374 1.00 92.96 C
329
+ ATOM 329 N TYR A 40 1.326 8.129 93.150 1.00 96.00 N
330
+ ATOM 330 O TYR A 40 3.572 5.514 92.930 1.00 95.94 O
331
+ ATOM 331 OH TYR A 40 6.128 5.589 87.471 1.00 92.14 O
332
+ ATOM 332 C TYR A 41 4.819 6.057 95.746 1.00 95.74 C
333
+ ATOM 333 CA TYR A 41 5.192 6.939 94.561 1.00 96.06 C
334
+ ATOM 334 CB TYR A 41 6.073 8.101 95.032 1.00 95.65 C
335
+ ATOM 335 CD1 TYR A 41 7.902 8.450 93.326 1.00 94.03 C
336
+ ATOM 336 CD2 TYR A 41 6.120 10.037 93.415 1.00 93.77 C
337
+ ATOM 337 CE1 TYR A 41 8.493 9.163 92.287 1.00 93.00 C
338
+ ATOM 338 CE2 TYR A 41 6.702 10.758 92.379 1.00 92.58 C
339
+ ATOM 339 CG TYR A 41 6.708 8.877 93.904 1.00 95.22 C
340
+ ATOM 340 CZ TYR A 41 7.886 10.313 91.821 1.00 91.78 C
341
+ ATOM 341 N TYR A 41 4.000 7.440 93.887 1.00 95.95 N
342
+ ATOM 342 O TYR A 41 5.686 5.422 96.352 1.00 95.02 O
343
+ ATOM 343 OH TYR A 41 8.467 11.023 90.793 1.00 90.81 O
344
+ ATOM 344 C LYS A 42 2.895 3.686 96.458 1.00 95.85 C
345
+ ATOM 345 CA LYS A 42 3.021 5.069 97.093 1.00 95.71 C
346
+ ATOM 346 CB LYS A 42 1.670 5.512 97.656 1.00 94.32 C
347
+ ATOM 347 CD LYS A 42 0.365 7.158 99.042 1.00 75.52 C
348
+ ATOM 348 CE LYS A 42 0.420 8.455 99.840 1.00 67.07 C
349
+ ATOM 349 CG LYS A 42 1.737 6.777 98.500 1.00 81.46 C
350
+ ATOM 350 N LYS A 42 3.521 6.045 96.129 1.00 95.98 N
351
+ ATOM 351 NZ LYS A 42 -0.939 8.903 100.263 1.00 61.80 N
352
+ ATOM 352 O LYS A 42 3.083 2.670 97.130 1.00 95.33 O
353
+ ATOM 353 C VAL A 43 3.616 1.993 93.837 1.00 96.82 C
354
+ ATOM 354 CA VAL A 43 2.302 2.459 94.462 1.00 96.59 C
355
+ ATOM 355 CB VAL A 43 1.227 2.642 93.368 1.00 95.98 C
356
+ ATOM 356 CG1 VAL A 43 1.066 1.362 92.550 1.00 92.49 C
357
+ ATOM 357 CG2 VAL A 43 -0.106 3.050 93.994 1.00 92.29 C
358
+ ATOM 358 N VAL A 43 2.522 3.693 95.209 1.00 96.54 N
359
+ ATOM 359 O VAL A 43 3.954 0.809 93.900 1.00 96.63 O
360
+ ATOM 360 C ILE A 44 6.791 2.840 93.445 1.00 97.06 C
361
+ ATOM 361 CA ILE A 44 5.589 2.582 92.541 1.00 97.37 C
362
+ ATOM 362 CB ILE A 44 5.723 3.385 91.227 1.00 97.12 C
363
+ ATOM 363 CD1 ILE A 44 4.216 1.679 90.049 1.00 93.29 C
364
+ ATOM 364 CG1 ILE A 44 4.503 3.148 90.330 1.00 95.61 C
365
+ ATOM 365 CG2 ILE A 44 7.019 3.016 90.499 1.00 95.58 C
366
+ ATOM 366 N ILE A 44 4.358 2.920 93.249 1.00 97.41 N
367
+ ATOM 367 O ILE A 44 7.175 3.992 93.664 1.00 96.41 O
368
+ ATOM 368 C VAL A 45 9.869 2.283 94.153 1.00 95.94 C
369
+ ATOM 369 CA VAL A 45 8.558 1.931 94.854 1.00 96.05 C
370
+ ATOM 370 CB VAL A 45 8.711 0.608 95.638 1.00 94.35 C
371
+ ATOM 371 CG1 VAL A 45 9.937 0.660 96.549 1.00 79.98 C
372
+ ATOM 372 CG2 VAL A 45 7.450 0.322 96.450 1.00 79.53 C
373
+ ATOM 373 N VAL A 45 7.480 1.852 93.874 1.00 96.44 N
374
+ ATOM 374 O VAL A 45 10.684 3.037 94.689 1.00 95.04 O
375
+ ATOM 375 C ASN A 46 10.837 2.836 90.863 1.00 97.54 C
376
+ ATOM 376 CA ASN A 46 11.191 2.107 92.156 1.00 97.34 C
377
+ ATOM 377 CB ASN A 46 11.950 0.815 91.847 1.00 96.35 C
378
+ ATOM 378 CG ASN A 46 12.404 0.090 93.098 1.00 86.59 C
379
+ ATOM 379 N ASN A 46 10.003 1.826 92.955 1.00 97.35 N
380
+ ATOM 380 ND2 ASN A 46 12.235 -1.227 93.117 1.00 75.20 N
381
+ ATOM 381 O ASN A 46 10.727 2.214 89.805 1.00 97.27 O
382
+ ATOM 382 OD1 ASN A 46 12.902 0.709 94.043 1.00 76.48 O
383
+ ATOM 383 C PRO A 47 11.550 4.964 88.770 1.00 97.00 C
384
+ ATOM 384 CA PRO A 47 10.391 4.887 89.762 1.00 97.01 C
385
+ ATOM 385 CB PRO A 47 10.046 6.275 90.306 1.00 96.73 C
386
+ ATOM 386 CD PRO A 47 10.901 5.021 92.206 1.00 94.96 C
387
+ ATOM 387 CG PRO A 47 10.810 6.385 91.586 1.00 95.77 C
388
+ ATOM 388 N PRO A 47 10.728 4.126 90.967 1.00 96.94 N
389
+ ATOM 389 O PRO A 47 12.715 4.867 89.168 1.00 96.85 O
390
+ ATOM 390 C MET A 48 11.672 5.970 85.256 1.00 97.84 C
391
+ ATOM 391 CA MET A 48 12.244 5.201 86.442 1.00 97.78 C
392
+ ATOM 392 CB MET A 48 12.724 3.821 85.988 1.00 97.60 C
393
+ ATOM 393 CE MET A 48 15.855 3.517 87.018 1.00 94.73 C
394
+ ATOM 394 CG MET A 48 13.909 3.867 85.036 1.00 97.08 C
395
+ ATOM 395 N MET A 48 11.256 5.076 87.509 1.00 97.72 N
396
+ ATOM 396 O MET A 48 10.483 5.856 84.953 1.00 97.73 O
397
+ ATOM 397 SD MET A 48 15.359 4.728 85.761 1.00 96.57 S
398
+ ATOM 398 C ASP A 49 13.314 7.778 82.537 1.00 97.68 C
399
+ ATOM 399 CA ASP A 49 12.109 7.570 83.451 1.00 97.54 C
400
+ ATOM 400 CB ASP A 49 11.536 8.922 83.883 1.00 97.35 C
401
+ ATOM 401 CG ASP A 49 12.535 9.773 84.647 1.00 96.56 C
402
+ ATOM 402 N ASP A 49 12.467 6.770 84.618 1.00 97.52 N
403
+ ATOM 403 O ASP A 49 14.442 7.441 82.901 1.00 97.62 O
404
+ ATOM 404 OD1 ASP A 49 13.195 10.638 84.032 1.00 94.68 O
405
+ ATOM 405 OD2 ASP A 49 12.668 9.574 85.873 1.00 93.64 O
406
+ ATOM 406 C LEU A 50 15.268 9.438 80.796 1.00 97.63 C
407
+ ATOM 407 CA LEU A 50 14.197 8.428 80.398 1.00 97.73 C
408
+ ATOM 408 CB LEU A 50 13.614 8.797 79.031 1.00 97.61 C
409
+ ATOM 409 CD1 LEU A 50 12.202 8.262 77.030 1.00 96.05 C
410
+ ATOM 410 CD2 LEU A 50 13.415 6.425 78.236 1.00 95.72 C
411
+ ATOM 411 CG LEU A 50 12.695 7.762 78.384 1.00 97.11 C
412
+ ATOM 412 N LEU A 50 13.143 8.366 81.404 1.00 97.79 N
413
+ ATOM 413 O LEU A 50 16.455 9.226 80.535 1.00 97.37 O
414
+ ATOM 414 C GLU A 51 16.827 10.884 82.979 1.00 97.03 C
415
+ ATOM 415 CA GLU A 51 15.915 11.495 81.920 1.00 96.99 C
416
+ ATOM 416 CB GLU A 51 15.227 12.745 82.475 1.00 96.24 C
417
+ ATOM 417 CD GLU A 51 15.491 15.121 83.333 1.00 75.21 C
418
+ ATOM 418 CG GLU A 51 16.191 13.851 82.878 1.00 83.95 C
419
+ ATOM 419 N GLU A 51 14.925 10.529 81.452 1.00 97.11 N
420
+ ATOM 420 O GLU A 51 18.033 11.132 82.985 1.00 96.80 O
421
+ ATOM 421 OE1 GLU A 51 14.242 15.177 83.281 1.00 70.45 O
422
+ ATOM 422 OE2 GLU A 51 16.199 16.069 83.742 1.00 69.28 O
423
+ ATOM 423 C THR A 52 18.006 8.443 84.245 1.00 97.28 C
424
+ ATOM 424 CA THR A 52 17.045 9.423 84.910 1.00 97.23 C
425
+ ATOM 425 CB THR A 52 16.158 8.670 85.919 1.00 96.94 C
426
+ ATOM 426 CG2 THR A 52 17.003 7.951 86.964 1.00 95.46 C
427
+ ATOM 427 N THR A 52 16.239 10.116 83.911 1.00 97.26 N
428
+ ATOM 428 O THR A 52 19.168 8.337 84.644 1.00 97.14 O
429
+ ATOM 429 OG1 THR A 52 15.296 9.607 86.580 1.00 94.30 O
430
+ ATOM 430 C ILE A 53 19.537 7.612 81.816 1.00 97.93 C
431
+ ATOM 431 CA ILE A 53 18.392 6.836 82.463 1.00 97.98 C
432
+ ATOM 432 CB ILE A 53 17.601 6.054 81.390 1.00 97.90 C
433
+ ATOM 433 CD1 ILE A 53 15.790 4.271 81.069 1.00 96.50 C
434
+ ATOM 434 CG1 ILE A 53 16.654 5.047 82.052 1.00 97.53 C
435
+ ATOM 435 CG2 ILE A 53 18.557 5.351 80.421 1.00 97.55 C
436
+ ATOM 436 N ILE A 53 17.529 7.753 83.198 1.00 98.01 N
437
+ ATOM 437 O ILE A 53 20.693 7.183 81.868 1.00 97.77 O
438
+ ATOM 438 C ARG A 54 21.361 10.070 81.675 1.00 97.16 C
439
+ ATOM 439 CA ARG A 54 20.347 9.599 80.638 1.00 97.30 C
440
+ ATOM 440 CB ARG A 54 19.738 10.801 79.916 1.00 97.01 C
441
+ ATOM 441 CD ARG A 54 18.456 11.668 77.928 1.00 92.75 C
442
+ ATOM 442 CG ARG A 54 18.915 10.434 78.692 1.00 95.12 C
443
+ ATOM 443 CZ ARG A 54 19.588 13.645 76.965 1.00 85.03 C
444
+ ATOM 444 N ARG A 54 19.303 8.788 81.257 1.00 97.38 N
445
+ ATOM 445 NE ARG A 54 19.578 12.357 77.295 1.00 91.19 N
446
+ ATOM 446 NH1 ARG A 54 18.532 14.415 77.203 1.00 81.33 N
447
+ ATOM 447 NH2 ARG A 54 20.662 14.170 76.394 1.00 79.22 N
448
+ ATOM 448 O ARG A 54 22.564 10.088 81.412 1.00 96.88 O
449
+ ATOM 449 C LYS A 55 22.640 9.667 84.358 1.00 96.87 C
450
+ ATOM 450 CA LYS A 55 21.755 10.838 83.941 1.00 96.88 C
451
+ ATOM 451 CB LYS A 55 20.960 11.349 85.143 1.00 96.24 C
452
+ ATOM 452 CD LYS A 55 19.529 13.158 86.152 1.00 77.20 C
453
+ ATOM 453 CE LYS A 55 18.839 14.495 85.916 1.00 68.40 C
454
+ ATOM 454 CG LYS A 55 20.329 12.717 84.932 1.00 85.54 C
455
+ ATOM 455 N LYS A 55 20.855 10.457 82.856 1.00 96.99 N
456
+ ATOM 456 NZ LYS A 55 17.956 14.871 87.059 1.00 61.66 N
457
+ ATOM 457 O LYS A 55 23.841 9.837 84.577 1.00 96.62 O
458
+ ATOM 458 C ASN A 56 23.840 6.953 83.685 1.00 96.80 C
459
+ ATOM 459 CA ASN A 56 22.784 7.250 84.747 1.00 96.86 C
460
+ ATOM 460 CB ASN A 56 21.849 6.051 84.915 1.00 96.55 C
461
+ ATOM 461 CG ASN A 56 21.031 6.123 86.189 1.00 94.88 C
462
+ ATOM 462 N ASN A 56 22.022 8.452 84.424 1.00 96.89 N
463
+ ATOM 463 ND2 ASN A 56 19.956 5.346 86.248 1.00 91.97 N
464
+ ATOM 464 O ASN A 56 24.958 6.553 84.011 1.00 96.51 O
465
+ ATOM 465 OD1 ASN A 56 21.363 6.870 87.113 1.00 91.19 O
466
+ ATOM 466 C ILE A 57 25.636 7.958 81.468 1.00 96.30 C
467
+ ATOM 467 CA ILE A 57 24.460 6.993 81.343 1.00 96.63 C
468
+ ATOM 468 CB ILE A 57 23.755 7.180 79.981 1.00 96.57 C
469
+ ATOM 469 CD1 ILE A 57 21.865 6.240 78.527 1.00 95.67 C
470
+ ATOM 470 CG1 ILE A 57 22.797 6.014 79.710 1.00 96.35 C
471
+ ATOM 471 CG2 ILE A 57 24.784 7.316 78.855 1.00 96.31 C
472
+ ATOM 472 N ILE A 57 23.536 7.195 82.454 1.00 96.67 N
473
+ ATOM 473 O ILE A 57 26.793 7.560 81.313 1.00 95.77 O
474
+ ATOM 474 C SER A 58 27.353 9.928 83.023 1.00 94.97 C
475
+ ATOM 475 CA SER A 58 26.407 10.216 81.864 1.00 95.44 C
476
+ ATOM 476 CB SER A 58 25.783 11.601 82.035 1.00 94.65 C
477
+ ATOM 477 N SER A 58 25.368 9.197 81.762 1.00 95.68 N
478
+ ATOM 478 O SER A 58 28.521 10.321 82.991 1.00 93.99 O
479
+ ATOM 479 OG SER A 58 25.245 11.753 83.337 1.00 77.57 O
480
+ ATOM 480 C LYS A 59 28.299 7.463 84.947 1.00 94.70 C
481
+ ATOM 481 CA LYS A 59 27.619 8.812 85.163 1.00 95.04 C
482
+ ATOM 482 CB LYS A 59 26.759 8.767 86.427 1.00 94.17 C
483
+ ATOM 483 CD LYS A 59 25.332 10.007 88.089 1.00 84.09 C
484
+ ATOM 484 CE LYS A 59 24.776 11.361 88.509 1.00 77.17 C
485
+ ATOM 485 CG LYS A 59 26.217 10.123 86.855 1.00 88.85 C
486
+ ATOM 486 N LYS A 59 26.812 9.186 84.007 1.00 95.31 N
487
+ ATOM 487 NZ LYS A 59 23.897 11.251 89.712 1.00 70.07 N
488
+ ATOM 488 O LYS A 59 28.918 6.919 85.863 1.00 93.64 O
489
+ ATOM 489 C HIS A 60 28.342 4.564 84.295 1.00 93.94 C
490
+ ATOM 490 CA HIS A 60 28.787 5.683 83.360 1.00 94.12 C
491
+ ATOM 491 CB HIS A 60 30.314 5.778 83.345 1.00 92.63 C
492
+ ATOM 492 CD2 HIS A 60 31.663 7.883 82.657 1.00 77.69 C
493
+ ATOM 493 CE1 HIS A 60 31.124 7.920 80.532 1.00 78.56 C
494
+ ATOM 494 CG HIS A 60 30.839 6.835 82.426 1.00 86.79 C
495
+ ATOM 495 N HIS A 60 28.199 6.960 83.748 1.00 94.05 N
496
+ ATOM 496 ND1 HIS A 60 30.518 6.884 81.087 1.00 73.39 N
497
+ ATOM 497 NE2 HIS A 60 31.826 8.544 81.463 1.00 76.98 N
498
+ ATOM 498 O HIS A 60 29.129 3.674 84.624 1.00 92.69 O
499
+ ATOM 499 C LYS A 61 26.320 2.324 84.827 1.00 95.44 C
500
+ ATOM 500 CA LYS A 61 26.495 3.649 85.564 1.00 95.46 C
501
+ ATOM 501 CB LYS A 61 25.149 4.129 86.109 1.00 94.51 C
502
+ ATOM 502 CD LYS A 61 23.187 3.715 87.632 1.00 80.60 C
503
+ ATOM 503 CE LYS A 61 22.511 2.729 88.573 1.00 73.87 C
504
+ ATOM 504 CG LYS A 61 24.504 3.167 87.096 1.00 86.83 C
505
+ ATOM 505 N LYS A 61 27.085 4.662 84.693 1.00 95.58 N
506
+ ATOM 506 NZ LYS A 61 21.200 3.245 89.069 1.00 66.30 N
507
+ ATOM 507 O LYS A 61 26.437 1.254 85.427 1.00 94.82 O
508
+ ATOM 508 C TYR A 62 27.090 0.635 82.169 1.00 94.74 C
509
+ ATOM 509 CA TYR A 62 25.805 1.111 82.836 1.00 95.64 C
510
+ ATOM 510 CB TYR A 62 24.721 1.341 81.779 1.00 95.64 C
511
+ ATOM 511 CD1 TYR A 62 22.731 1.189 83.325 1.00 95.20 C
512
+ ATOM 512 CD2 TYR A 62 22.906 3.090 81.888 1.00 94.85 C
513
+ ATOM 513 CE1 TYR A 62 21.539 1.684 83.846 1.00 94.50 C
514
+ ATOM 514 CE2 TYR A 62 21.716 3.594 82.401 1.00 94.37 C
515
+ ATOM 515 CG TYR A 62 23.430 1.883 82.340 1.00 95.72 C
516
+ ATOM 516 CZ TYR A 62 21.041 2.885 83.377 1.00 94.15 C
517
+ ATOM 517 N TYR A 62 26.037 2.329 83.605 1.00 95.60 N
518
+ ATOM 518 O TYR A 62 27.726 1.386 81.425 1.00 93.40 O
519
+ ATOM 519 OH TYR A 62 19.862 3.380 83.889 1.00 91.53 O
520
+ ATOM 520 C GLN A 63 28.208 -2.389 80.980 1.00 93.74 C
521
+ ATOM 521 CA GLN A 63 28.576 -1.196 81.858 1.00 93.82 C
522
+ ATOM 522 CB GLN A 63 29.561 -1.629 82.945 1.00 91.92 C
523
+ ATOM 523 CD GLN A 63 31.030 -0.938 84.888 1.00 78.38 C
524
+ ATOM 524 CG GLN A 63 30.072 -0.480 83.804 1.00 82.97 C
525
+ ATOM 525 N GLN A 63 27.387 -0.595 82.453 1.00 93.98 N
526
+ ATOM 526 NE2 GLN A 63 31.611 0.015 85.607 1.00 69.92 N
527
+ ATOM 527 O GLN A 63 29.087 -3.050 80.422 1.00 92.50 O
528
+ ATOM 528 OE1 GLN A 63 31.245 -2.140 85.077 1.00 74.59 O
529
+ ATOM 529 C SER A 64 25.067 -3.349 79.521 1.00 95.96 C
530
+ ATOM 530 CA SER A 64 26.464 -3.733 79.998 1.00 95.59 C
531
+ ATOM 531 CB SER A 64 26.412 -5.076 80.727 1.00 94.70 C
532
+ ATOM 532 N SER A 64 27.032 -2.703 80.862 1.00 95.43 N
533
+ ATOM 533 O SER A 64 24.378 -2.562 80.174 1.00 95.86 O
534
+ ATOM 534 OG SER A 64 25.441 -5.049 81.761 1.00 85.80 O
535
+ ATOM 535 C ARG A 65 22.254 -4.260 78.881 1.00 96.33 C
536
+ ATOM 536 CA ARG A 65 23.298 -3.722 77.908 1.00 96.42 C
537
+ ATOM 537 CB ARG A 65 23.125 -4.379 76.536 1.00 95.84 C
538
+ ATOM 538 CD ARG A 65 23.660 -4.363 74.076 1.00 90.98 C
539
+ ATOM 539 CG ARG A 65 23.849 -3.657 75.412 1.00 92.87 C
540
+ ATOM 540 CZ ARG A 65 24.621 -6.304 72.881 1.00 83.41 C
541
+ ATOM 541 N ARG A 65 24.649 -3.941 78.415 1.00 96.36 N
542
+ ATOM 542 NE ARG A 65 24.494 -5.558 73.976 1.00 87.69 N
543
+ ATOM 543 NH1 ARG A 65 23.967 -5.991 71.769 1.00 80.11 N
544
+ ATOM 544 NH2 ARG A 65 25.405 -7.371 72.901 1.00 78.63 N
545
+ ATOM 545 O ARG A 65 21.168 -3.693 79.009 1.00 96.05 O
546
+ ATOM 546 C GLU A 66 21.312 -4.909 81.580 1.00 96.64 C
547
+ ATOM 547 CA GLU A 66 21.689 -5.888 80.473 1.00 96.47 C
548
+ ATOM 548 CB GLU A 66 22.280 -7.164 81.079 1.00 95.21 C
549
+ ATOM 549 CD GLU A 66 21.887 -9.227 82.510 1.00 71.71 C
550
+ ATOM 550 CG GLU A 66 21.312 -7.925 81.974 1.00 78.46 C
551
+ ATOM 551 N GLU A 66 22.627 -5.286 79.531 1.00 96.54 N
552
+ ATOM 552 O GLU A 66 20.136 -4.775 81.924 1.00 96.39 O
553
+ ATOM 553 OE1 GLU A 66 23.082 -9.508 82.265 1.00 67.84 O
554
+ ATOM 554 OE2 GLU A 66 21.136 -9.972 83.178 1.00 64.97 O
555
+ ATOM 555 C SER A 67 21.181 -2.098 82.723 1.00 96.87 C
556
+ ATOM 556 CA SER A 67 22.004 -3.267 83.254 1.00 96.62 C
557
+ ATOM 557 CB SER A 67 23.312 -2.749 83.856 1.00 95.65 C
558
+ ATOM 558 N SER A 67 22.276 -4.243 82.204 1.00 96.67 N
559
+ ATOM 559 O SER A 67 20.290 -1.597 83.412 1.00 96.70 O
560
+ ATOM 560 OG SER A 67 24.054 -2.021 82.893 1.00 70.49 O
561
+ ATOM 561 C PHE A 68 19.266 -1.037 80.620 1.00 97.65 C
562
+ ATOM 562 CA PHE A 68 20.706 -0.597 80.854 1.00 97.50 C
563
+ ATOM 563 CB PHE A 68 21.364 -0.221 79.523 1.00 97.40 C
564
+ ATOM 564 CD1 PHE A 68 20.324 2.026 79.084 1.00 96.10 C
565
+ ATOM 565 CD2 PHE A 68 19.977 0.281 77.487 1.00 96.00 C
566
+ ATOM 566 CE1 PHE A 68 19.561 2.895 78.306 1.00 95.20 C
567
+ ATOM 567 CE2 PHE A 68 19.213 1.143 76.706 1.00 95.01 C
568
+ ATOM 568 CG PHE A 68 20.538 0.714 78.681 1.00 96.94 C
569
+ ATOM 569 CZ PHE A 68 19.006 2.449 77.117 1.00 94.34 C
570
+ ATOM 570 N PHE A 68 21.466 -1.647 81.523 1.00 97.45 N
571
+ ATOM 571 O PHE A 68 18.328 -0.304 80.943 1.00 97.56 O
572
+ ATOM 572 C LEU A 69 16.940 -3.021 81.074 1.00 98.05 C
573
+ ATOM 573 CA LEU A 69 17.768 -2.784 79.816 1.00 98.04 C
574
+ ATOM 574 CB LEU A 69 17.891 -4.085 79.019 1.00 97.79 C
575
+ ATOM 575 CD1 LEU A 69 18.556 -5.303 76.931 1.00 90.59 C
576
+ ATOM 576 CD2 LEU A 69 17.074 -3.283 76.785 1.00 89.74 C
577
+ ATOM 577 CG LEU A 69 18.227 -3.941 77.534 1.00 96.01 C
578
+ ATOM 578 N LEU A 69 19.088 -2.264 80.153 1.00 98.08 N
579
+ ATOM 579 O LEU A 69 15.708 -2.990 81.028 1.00 97.90 O
580
+ ATOM 580 C ASP A 70 16.130 -2.112 83.785 1.00 97.88 C
581
+ ATOM 581 CA ASP A 70 16.904 -3.392 83.476 1.00 97.78 C
582
+ ATOM 582 CB ASP A 70 17.865 -3.715 84.621 1.00 97.38 C
583
+ ATOM 583 CG ASP A 70 18.365 -5.149 84.589 1.00 92.63 C
584
+ ATOM 584 N ASP A 70 17.631 -3.274 82.215 1.00 97.81 N
585
+ ATOM 585 O ASP A 70 14.964 -2.166 84.179 1.00 97.76 O
586
+ ATOM 586 OD1 ASP A 70 17.779 -5.983 83.866 1.00 84.66 O
587
+ ATOM 587 OD2 ASP A 70 19.352 -5.448 85.296 1.00 87.02 O
588
+ ATOM 588 C ASP A 71 15.027 0.614 82.766 1.00 97.93 C
589
+ ATOM 589 CA ASP A 71 16.107 0.338 83.810 1.00 97.84 C
590
+ ATOM 590 CB ASP A 71 17.134 1.472 83.817 1.00 97.64 C
591
+ ATOM 591 CG ASP A 71 17.873 1.594 85.138 1.00 96.63 C
592
+ ATOM 592 N ASP A 71 16.760 -0.943 83.563 1.00 97.85 N
593
+ ATOM 593 O ASP A 71 13.950 1.113 83.097 1.00 97.81 O
594
+ ATOM 594 OD1 ASP A 71 17.531 0.871 86.098 1.00 94.26 O
595
+ ATOM 595 OD2 ASP A 71 18.806 2.422 85.219 1.00 93.77 O
596
+ ATOM 596 C VAL A 72 13.093 -0.384 80.734 1.00 97.99 C
597
+ ATOM 597 CA VAL A 72 14.340 0.455 80.463 1.00 97.95 C
598
+ ATOM 598 CB VAL A 72 14.933 0.099 79.081 1.00 97.81 C
599
+ ATOM 599 CG1 VAL A 72 13.836 0.053 78.019 1.00 96.67 C
600
+ ATOM 600 CG2 VAL A 72 16.016 1.103 78.690 1.00 96.68 C
601
+ ATOM 601 N VAL A 72 15.313 0.253 81.532 1.00 97.99 N
602
+ ATOM 602 O VAL A 72 11.971 0.117 80.647 1.00 97.85 O
603
+ ATOM 603 C ASN A 73 11.391 -2.060 82.708 1.00 98.04 C
604
+ ATOM 604 CA ASN A 73 12.155 -2.502 81.462 1.00 98.01 C
605
+ ATOM 605 CB ASN A 73 12.651 -3.941 81.627 1.00 97.73 C
606
+ ATOM 606 CG ASN A 73 13.059 -4.572 80.311 1.00 95.22 C
607
+ ATOM 607 N ASN A 73 13.269 -1.607 81.171 1.00 98.07 N
608
+ ATOM 608 ND2 ASN A 73 14.061 -5.443 80.356 1.00 88.51 N
609
+ ATOM 609 O ASN A 73 10.197 -2.334 82.839 1.00 97.88 O
610
+ ATOM 610 OD1 ASN A 73 12.480 -4.278 79.262 1.00 87.60 O
611
+ ATOM 611 C LEU A 74 10.390 0.116 84.445 1.00 98.11 C
612
+ ATOM 612 CA LEU A 74 11.419 -0.955 84.794 1.00 98.06 C
613
+ ATOM 613 CB LEU A 74 12.456 -0.386 85.765 1.00 97.74 C
614
+ ATOM 614 CD1 LEU A 74 11.223 -1.126 87.819 1.00 82.28 C
615
+ ATOM 615 CD2 LEU A 74 13.079 0.552 88.008 1.00 81.04 C
616
+ ATOM 616 CG LEU A 74 11.937 0.038 87.139 1.00 94.21 C
617
+ ATOM 617 N LEU A 74 12.069 -1.461 83.590 1.00 98.10 N
618
+ ATOM 618 O LEU A 74 9.344 0.211 85.092 1.00 97.96 O
619
+ ATOM 619 C ILE A 75 8.363 1.215 82.536 1.00 97.91 C
620
+ ATOM 620 CA ILE A 75 9.654 1.922 82.945 1.00 97.88 C
621
+ ATOM 621 CB ILE A 75 10.206 2.755 81.765 1.00 97.72 C
622
+ ATOM 622 CD1 ILE A 75 12.013 4.455 81.127 1.00 94.71 C
623
+ ATOM 623 CG1 ILE A 75 11.331 3.679 82.245 1.00 96.63 C
624
+ ATOM 624 CG2 ILE A 75 9.084 3.558 81.100 1.00 96.68 C
625
+ ATOM 625 N ILE A 75 10.628 0.941 83.407 1.00 97.92 N
626
+ ATOM 626 O ILE A 75 7.272 1.616 82.946 1.00 97.73 O
627
+ ATOM 627 C LEU A 76 6.612 -1.270 82.496 1.00 97.75 C
628
+ ATOM 628 CA LEU A 76 7.314 -0.577 81.332 1.00 97.75 C
629
+ ATOM 629 CB LEU A 76 7.723 -1.611 80.280 1.00 97.54 C
630
+ ATOM 630 CD1 LEU A 76 5.449 -1.767 79.237 1.00 94.11 C
631
+ ATOM 631 CD2 LEU A 76 7.174 -3.525 78.752 1.00 93.71 C
632
+ ATOM 632 CG LEU A 76 6.625 -2.559 79.798 1.00 96.49 C
633
+ ATOM 633 N LEU A 76 8.477 0.169 81.796 1.00 97.81 N
634
+ ATOM 634 O LEU A 76 5.387 -1.204 82.616 1.00 97.56 O
635
+ ATOM 635 C ALA A 77 6.054 -1.685 85.396 1.00 97.88 C
636
+ ATOM 636 CA ALA A 77 6.830 -2.642 84.496 1.00 97.89 C
637
+ ATOM 637 CB ALA A 77 7.926 -3.345 85.294 1.00 97.59 C
638
+ ATOM 638 N ALA A 77 7.405 -1.938 83.354 1.00 97.95 N
639
+ ATOM 639 O ALA A 77 4.964 -2.015 85.869 1.00 97.73 O
640
+ ATOM 640 C ASN A 78 4.600 0.937 85.789 1.00 97.86 C
641
+ ATOM 641 CA ASN A 78 5.900 0.481 86.446 1.00 97.88 C
642
+ ATOM 642 CB ASN A 78 6.814 1.681 86.702 1.00 97.70 C
643
+ ATOM 643 CG ASN A 78 7.940 1.362 87.667 1.00 96.70 C
644
+ ATOM 644 N ASN A 78 6.585 -0.522 85.638 1.00 97.91 N
645
+ ATOM 645 ND2 ASN A 78 8.985 2.181 87.651 1.00 94.64 N
646
+ ATOM 646 O ASN A 78 3.589 1.124 86.468 1.00 97.64 O
647
+ ATOM 647 OD1 ASN A 78 7.871 0.387 88.420 1.00 93.91 O
648
+ ATOM 648 C SER A 79 2.341 0.435 83.828 1.00 97.08 C
649
+ ATOM 649 CA SER A 79 3.412 1.517 83.757 1.00 97.16 C
650
+ ATOM 650 CB SER A 79 3.712 1.855 82.297 1.00 96.92 C
651
+ ATOM 651 N SER A 79 4.629 1.102 84.447 1.00 97.22 N
652
+ ATOM 652 O SER A 79 1.163 0.732 84.042 1.00 96.76 O
653
+ ATOM 653 OG SER A 79 2.564 2.384 81.657 1.00 94.32 O
654
+ ATOM 654 C VAL A 80 1.134 -1.927 85.212 1.00 97.28 C
655
+ ATOM 655 CA VAL A 80 1.749 -1.915 83.814 1.00 97.33 C
656
+ ATOM 656 CB VAL A 80 2.428 -3.270 83.518 1.00 97.00 C
657
+ ATOM 657 CG1 VAL A 80 1.498 -4.429 83.877 1.00 94.59 C
658
+ ATOM 658 CG2 VAL A 80 2.843 -3.349 82.050 1.00 94.52 C
659
+ ATOM 659 N VAL A 80 2.692 -0.807 83.701 1.00 97.44 N
660
+ ATOM 660 O VAL A 80 -0.083 -2.065 85.360 1.00 97.00 O
661
+ ATOM 661 C LYS A 81 0.596 -0.658 87.850 1.00 97.40 C
662
+ ATOM 662 CA LYS A 81 1.530 -1.822 87.528 1.00 97.46 C
663
+ ATOM 663 CB LYS A 81 2.715 -1.824 88.494 1.00 97.06 C
664
+ ATOM 664 CD LYS A 81 3.537 -2.072 90.861 1.00 88.10 C
665
+ ATOM 665 CE LYS A 81 3.142 -2.155 92.329 1.00 81.68 C
666
+ ATOM 666 CG LYS A 81 2.318 -1.917 89.961 1.00 93.46 C
667
+ ATOM 667 N LYS A 81 1.995 -1.757 86.146 1.00 97.58 N
668
+ ATOM 668 NZ LYS A 81 4.332 -2.326 93.215 1.00 76.03 N
669
+ ATOM 669 O LYS A 81 -0.449 -0.849 88.475 1.00 97.07 O
670
+ ATOM 670 C TYR A 82 -1.034 1.906 86.903 1.00 96.68 C
671
+ ATOM 671 CA TYR A 82 0.149 1.649 87.828 1.00 96.78 C
672
+ ATOM 672 CB TYR A 82 1.061 2.879 87.863 1.00 96.49 C
673
+ ATOM 673 CD1 TYR A 82 0.247 4.223 89.841 1.00 93.72 C
674
+ ATOM 674 CD2 TYR A 82 -0.045 5.136 87.653 1.00 93.41 C
675
+ ATOM 675 CE1 TYR A 82 -0.355 5.346 90.398 1.00 92.62 C
676
+ ATOM 676 CE2 TYR A 82 -0.649 6.264 88.200 1.00 92.37 C
677
+ ATOM 677 CG TYR A 82 0.409 4.101 88.463 1.00 95.52 C
678
+ ATOM 678 CZ TYR A 82 -0.798 6.360 89.571 1.00 91.53 C
679
+ ATOM 679 N TYR A 82 0.895 0.469 87.405 1.00 96.81 N
680
+ ATOM 680 O TYR A 82 -2.135 2.212 87.364 1.00 96.24 O
681
+ ATOM 681 OH TYR A 82 -1.395 7.474 90.117 1.00 90.07 O
682
+ ATOM 682 C ASN A 83 -2.698 0.998 84.101 1.00 95.24 C
683
+ ATOM 683 CA ASN A 83 -1.885 2.200 84.575 1.00 95.66 C
684
+ ATOM 684 CB ASN A 83 -1.241 2.908 83.381 1.00 95.19 C
685
+ ATOM 685 CG ASN A 83 -0.498 4.168 83.780 1.00 93.31 C
686
+ ATOM 686 N ASN A 83 -0.869 1.810 85.546 1.00 95.85 N
687
+ ATOM 687 ND2 ASN A 83 0.802 4.198 83.517 1.00 90.27 N
688
+ ATOM 688 O ASN A 83 -3.769 1.161 83.514 1.00 94.20 O
689
+ ATOM 689 OD1 ASN A 83 -1.089 5.105 84.323 1.00 90.14 O
690
+ ATOM 690 C GLY A 84 -2.206 -1.777 82.420 1.00 96.16 C
691
+ ATOM 691 CA GLY A 84 -2.753 -1.378 83.777 1.00 96.14 C
692
+ ATOM 692 N GLY A 84 -2.126 -0.184 84.319 1.00 96.23 N
693
+ ATOM 693 O GLY A 84 -1.706 -0.933 81.674 1.00 95.80 O
694
+ ATOM 694 C PRO A 85 -2.377 -3.060 79.653 1.00 94.92 C
695
+ ATOM 695 CA PRO A 85 -1.717 -3.573 80.931 1.00 95.78 C
696
+ ATOM 696 CB PRO A 85 -1.911 -5.085 81.076 1.00 95.05 C
697
+ ATOM 697 CD PRO A 85 -3.008 -4.093 83.007 1.00 93.18 C
698
+ ATOM 698 CG PRO A 85 -3.052 -5.233 82.030 1.00 93.62 C
699
+ ATOM 699 N PRO A 85 -2.336 -3.036 82.144 1.00 95.94 N
700
+ ATOM 700 O PRO A 85 -1.756 -3.066 78.587 1.00 93.60 O
701
+ ATOM 701 C GLU A 86 -4.329 -0.612 78.279 1.00 94.82 C
702
+ ATOM 702 CA GLU A 86 -4.343 -2.128 78.453 1.00 94.99 C
703
+ ATOM 703 CB GLU A 86 -5.786 -2.640 78.487 1.00 93.11 C
704
+ ATOM 704 CD GLU A 86 -5.285 -4.801 77.248 1.00 75.57 C
705
+ ATOM 705 CG GLU A 86 -5.900 -4.158 78.481 1.00 81.38 C
706
+ ATOM 706 N GLU A 86 -3.628 -2.528 79.662 1.00 95.32 N
707
+ ATOM 707 O GLU A 86 -4.890 -0.087 77.315 1.00 93.67 O
708
+ ATOM 708 OE1 GLU A 86 -5.430 -4.241 76.136 1.00 73.30 O
709
+ ATOM 709 OE2 GLU A 86 -4.656 -5.872 77.393 1.00 69.40 O
710
+ ATOM 710 C SER A 87 -2.875 1.968 77.925 1.00 96.03 C
711
+ ATOM 711 CA SER A 87 -3.679 1.469 79.121 1.00 95.94 C
712
+ ATOM 712 CB SER A 87 -3.088 2.036 80.413 1.00 95.43 C
713
+ ATOM 713 N SER A 87 -3.708 0.011 79.168 1.00 95.96 N
714
+ ATOM 714 O SER A 87 -1.919 1.318 77.498 1.00 95.73 O
715
+ ATOM 715 OG SER A 87 -2.770 3.409 80.261 1.00 86.54 O
716
+ ATOM 716 C GLN A 88 -1.118 4.115 76.784 1.00 95.71 C
717
+ ATOM 717 CA GLN A 88 -2.524 3.749 76.319 1.00 95.44 C
718
+ ATOM 718 CB GLN A 88 -3.249 4.994 75.805 1.00 93.84 C
719
+ ATOM 719 CD GLN A 88 -2.522 4.648 73.405 1.00 71.06 C
720
+ ATOM 720 CG GLN A 88 -2.606 5.614 74.571 1.00 77.96 C
721
+ ATOM 721 N GLN A 88 -3.285 3.120 77.394 1.00 95.51 N
722
+ ATOM 722 NE2 GLN A 88 -1.409 4.690 72.679 1.00 55.80 N
723
+ ATOM 723 O GLN A 88 -0.167 4.066 75.999 1.00 95.33 O
724
+ ATOM 724 OE1 GLN A 88 -3.449 3.871 73.159 1.00 65.25 O
725
+ ATOM 725 C TYR A 89 1.243 3.540 78.491 1.00 95.95 C
726
+ ATOM 726 CA TYR A 89 0.375 4.789 78.584 1.00 95.75 C
727
+ ATOM 727 CB TYR A 89 0.277 5.251 80.041 1.00 95.30 C
728
+ ATOM 728 CD1 TYR A 89 0.402 7.760 79.786 1.00 89.73 C
729
+ ATOM 729 CD2 TYR A 89 -1.560 6.818 80.772 1.00 89.32 C
730
+ ATOM 730 CE1 TYR A 89 -0.129 9.038 79.934 1.00 88.87 C
731
+ ATOM 731 CE2 TYR A 89 -2.101 8.090 80.924 1.00 88.58 C
732
+ ATOM 732 CG TYR A 89 -0.304 6.634 80.202 1.00 93.36 C
733
+ ATOM 733 CZ TYR A 89 -1.379 9.192 80.503 1.00 87.17 C
734
+ ATOM 734 N TYR A 89 -0.953 4.545 78.032 1.00 95.56 N
735
+ ATOM 735 O TYR A 89 2.411 3.615 78.102 1.00 95.80 O
736
+ ATOM 736 OH TYR A 89 -1.909 10.454 80.653 1.00 82.39 O
737
+ ATOM 737 C THR A 90 1.792 0.748 77.412 1.00 97.11 C
738
+ ATOM 738 CA THR A 90 1.450 1.163 78.841 1.00 97.18 C
739
+ ATOM 739 CB THR A 90 0.662 0.034 79.532 1.00 96.92 C
740
+ ATOM 740 CG2 THR A 90 1.374 -1.305 79.379 1.00 95.86 C
741
+ ATOM 741 N THR A 90 0.701 2.414 78.850 1.00 97.21 N
742
+ ATOM 742 O THR A 90 2.886 0.244 77.152 1.00 96.87 O
743
+ ATOM 743 OG1 THR A 90 0.530 0.337 80.926 1.00 95.29 O
744
+ ATOM 744 C LYS A 91 2.360 1.568 74.610 1.00 96.59 C
745
+ ATOM 745 CA LYS A 91 1.201 0.705 75.102 1.00 96.52 C
746
+ ATOM 746 CB LYS A 91 -0.039 0.950 74.238 1.00 95.89 C
747
+ ATOM 747 CD LYS A 91 -2.332 0.199 73.526 1.00 81.11 C
748
+ ATOM 748 CE LYS A 91 -3.464 -0.790 73.766 1.00 73.18 C
749
+ ATOM 749 CG LYS A 91 -1.147 -0.072 74.442 1.00 88.59 C
750
+ ATOM 750 N LYS A 91 0.906 0.971 76.507 1.00 96.59 N
751
+ ATOM 751 NZ LYS A 91 -4.670 -0.463 72.949 1.00 65.28 N
752
+ ATOM 752 O LYS A 91 3.232 1.089 73.884 1.00 96.34 O
753
+ ATOM 753 C THR A 92 4.760 3.259 75.271 1.00 96.91 C
754
+ ATOM 754 CA THR A 92 3.448 3.726 74.646 1.00 96.85 C
755
+ ATOM 755 CB THR A 92 3.153 5.173 75.085 1.00 96.49 C
756
+ ATOM 756 CG2 THR A 92 4.330 6.092 74.773 1.00 94.07 C
757
+ ATOM 757 N THR A 92 2.355 2.831 75.007 1.00 96.85 N
758
+ ATOM 758 O THR A 92 5.798 3.242 74.609 1.00 96.75 O
759
+ ATOM 759 OG1 THR A 92 1.993 5.649 74.393 1.00 91.99 O
760
+ ATOM 760 C ALA A 93 6.458 1.121 76.508 1.00 97.43 C
761
+ ATOM 761 CA ALA A 93 5.939 2.366 77.222 1.00 97.36 C
762
+ ATOM 762 CB ALA A 93 5.638 2.051 78.684 1.00 97.16 C
763
+ ATOM 763 N ALA A 93 4.748 2.892 76.559 1.00 97.36 N
764
+ ATOM 764 O ALA A 93 7.670 0.936 76.370 1.00 97.27 O
765
+ ATOM 765 C GLN A 94 6.659 -0.562 74.016 1.00 97.47 C
766
+ ATOM 766 CA GLN A 94 5.942 -0.924 75.314 1.00 97.48 C
767
+ ATOM 767 CB GLN A 94 4.724 -1.798 75.015 1.00 96.94 C
768
+ ATOM 768 CD GLN A 94 5.836 -4.053 75.302 1.00 75.50 C
769
+ ATOM 769 CG GLN A 94 5.067 -3.134 74.371 1.00 86.13 C
770
+ ATOM 770 N GLN A 94 5.548 0.274 76.048 1.00 97.65 N
771
+ ATOM 771 NE2 GLN A 94 7.136 -4.187 75.063 1.00 63.89 N
772
+ ATOM 772 O GLN A 94 7.650 -1.197 73.649 1.00 97.17 O
773
+ ATOM 773 OE1 GLN A 94 5.266 -4.638 76.229 1.00 73.08 O
774
+ ATOM 774 C GLU A 95 8.209 1.448 72.365 1.00 97.06 C
775
+ ATOM 775 CA GLU A 95 6.821 0.877 72.087 1.00 96.96 C
776
+ ATOM 776 CB GLU A 95 5.958 1.915 71.365 1.00 96.11 C
777
+ ATOM 777 CD GLU A 95 3.796 2.393 70.120 1.00 70.20 C
778
+ ATOM 778 CG GLU A 95 4.715 1.334 70.708 1.00 78.81 C
779
+ ATOM 779 N GLU A 95 6.173 0.440 73.321 1.00 97.08 N
780
+ ATOM 780 O GLU A 95 9.144 1.223 71.594 1.00 96.84 O
781
+ ATOM 781 OE1 GLU A 95 4.158 3.591 70.145 1.00 64.32 O
782
+ ATOM 782 OE2 GLU A 95 2.706 2.021 69.631 1.00 63.33 O
783
+ ATOM 783 C ILE A 96 10.627 1.527 74.101 1.00 97.31 C
784
+ ATOM 784 CA ILE A 96 9.653 2.686 73.901 1.00 97.33 C
785
+ ATOM 785 CB ILE A 96 9.541 3.521 75.197 1.00 97.19 C
786
+ ATOM 786 CD1 ILE A 96 8.394 5.588 76.186 1.00 95.12 C
787
+ ATOM 787 CG1 ILE A 96 8.787 4.828 74.926 1.00 96.49 C
788
+ ATOM 788 CG2 ILE A 96 10.929 3.799 75.780 1.00 96.46 C
789
+ ATOM 789 N ILE A 96 8.352 2.172 73.484 1.00 97.35 N
790
+ ATOM 790 O ILE A 96 11.752 1.560 73.597 1.00 97.12 O
791
+ ATOM 791 C VAL A 97 11.360 -1.394 73.752 1.00 97.53 C
792
+ ATOM 792 CA VAL A 97 11.044 -0.666 75.057 1.00 97.61 C
793
+ ATOM 793 CB VAL A 97 10.354 -1.628 76.051 1.00 97.31 C
794
+ ATOM 794 CG1 VAL A 97 11.111 -2.952 76.133 1.00 94.49 C
795
+ ATOM 795 CG2 VAL A 97 10.250 -0.982 77.431 1.00 94.59 C
796
+ ATOM 796 N VAL A 97 10.217 0.505 74.782 1.00 97.70 N
797
+ ATOM 797 O VAL A 97 12.504 -1.788 73.516 1.00 97.26 O
798
+ ATOM 798 C ASN A 98 11.616 -1.491 70.711 1.00 96.72 C
799
+ ATOM 799 CA ASN A 98 10.571 -2.200 71.568 1.00 96.76 C
800
+ ATOM 800 CB ASN A 98 9.247 -2.308 70.809 1.00 96.30 C
801
+ ATOM 801 CG ASN A 98 8.290 -3.297 71.445 1.00 91.30 C
802
+ ATOM 802 N ASN A 98 10.376 -1.521 72.845 1.00 96.88 N
803
+ ATOM 803 ND2 ASN A 98 7.015 -3.204 71.085 1.00 77.85 N
804
+ ATOM 804 O ASN A 98 12.493 -2.135 70.133 1.00 96.40 O
805
+ ATOM 805 OD1 ASN A 98 8.692 -4.137 72.254 1.00 78.69 O
806
+ ATOM 806 C VAL A 99 13.828 0.476 70.415 1.00 96.45 C
807
+ ATOM 807 CA VAL A 99 12.420 0.615 69.842 1.00 96.40 C
808
+ ATOM 808 CB VAL A 99 12.011 2.104 69.787 1.00 95.57 C
809
+ ATOM 809 CG1 VAL A 99 13.176 2.966 69.302 1.00 73.71 C
810
+ ATOM 810 CG2 VAL A 99 10.793 2.290 68.884 1.00 74.10 C
811
+ ATOM 811 N VAL A 99 11.483 -0.168 70.640 1.00 96.51 N
812
+ ATOM 812 O VAL A 99 14.805 0.404 69.666 1.00 96.11 O
813
+ ATOM 813 C CYS A 100 15.821 -1.132 71.985 1.00 97.13 C
814
+ ATOM 814 CA CYS A 100 15.210 0.205 72.384 1.00 97.18 C
815
+ ATOM 815 CB CYS A 100 15.060 0.274 73.904 1.00 96.99 C
816
+ ATOM 816 N CYS A 100 13.919 0.403 71.734 1.00 97.25 N
817
+ ATOM 817 O CYS A 100 16.962 -1.184 71.520 1.00 96.82 O
818
+ ATOM 818 SG CYS A 100 16.625 0.147 74.796 1.00 96.52 S
819
+ ATOM 819 C TYR A 101 16.022 -3.619 70.345 1.00 96.37 C
820
+ ATOM 820 CA TYR A 101 15.617 -3.538 71.812 1.00 96.58 C
821
+ ATOM 821 CB TYR A 101 14.562 -4.603 72.122 1.00 96.03 C
822
+ ATOM 822 CD1 TYR A 101 15.472 -6.089 73.951 1.00 84.42 C
823
+ ATOM 823 CD2 TYR A 101 13.731 -4.549 74.503 1.00 83.20 C
824
+ ATOM 824 CE1 TYR A 101 15.501 -6.540 75.266 1.00 83.27 C
825
+ ATOM 825 CE2 TYR A 101 13.750 -4.993 75.822 1.00 80.13 C
826
+ ATOM 826 CG TYR A 101 14.588 -5.088 73.551 1.00 92.23 C
827
+ ATOM 827 CZ TYR A 101 14.637 -5.987 76.192 1.00 80.42 C
828
+ ATOM 828 N TYR A 101 15.118 -2.209 72.144 1.00 96.72 N
829
+ ATOM 829 O TYR A 101 17.070 -4.179 70.013 1.00 95.83 O
830
+ ATOM 830 OH TYR A 101 14.660 -6.430 77.496 1.00 69.10 O
831
+ ATOM 831 C GLN A 102 16.793 -2.325 67.759 1.00 95.71 C
832
+ ATOM 832 CA GLN A 102 15.492 -3.057 68.076 1.00 95.65 C
833
+ ATOM 833 CB GLN A 102 14.336 -2.437 67.286 1.00 94.33 C
834
+ ATOM 834 CD GLN A 102 11.919 -2.619 66.559 1.00 71.29 C
835
+ ATOM 835 CG GLN A 102 13.087 -3.306 67.242 1.00 78.14 C
836
+ ATOM 836 N GLN A 102 15.208 -3.030 69.506 1.00 95.84 N
837
+ ATOM 837 NE2 GLN A 102 10.784 -3.307 66.491 1.00 57.83 N
838
+ ATOM 838 O GLN A 102 17.620 -2.824 66.992 1.00 95.19 O
839
+ ATOM 839 OE1 GLN A 102 12.035 -1.480 66.098 1.00 66.43 O
840
+ ATOM 840 C THR A 103 19.380 -1.049 68.636 1.00 95.84 C
841
+ ATOM 841 CA THR A 103 18.127 -0.398 68.057 1.00 95.89 C
842
+ ATOM 842 CB THR A 103 17.978 1.027 68.621 1.00 95.34 C
843
+ ATOM 843 CG2 THR A 103 19.121 1.924 68.158 1.00 89.56 C
844
+ ATOM 844 N THR A 103 16.946 -1.207 68.341 1.00 95.97 N
845
+ ATOM 845 O THR A 103 20.441 -1.029 68.010 1.00 95.39 O
846
+ ATOM 846 OG1 THR A 103 16.736 1.584 68.172 1.00 87.93 O
847
+ ATOM 847 C LEU A 104 20.851 -3.495 69.476 1.00 96.05 C
848
+ ATOM 848 CA LEU A 104 20.411 -2.358 70.392 1.00 96.40 C
849
+ ATOM 849 CB LEU A 104 20.051 -2.911 71.775 1.00 96.20 C
850
+ ATOM 850 CD1 LEU A 104 19.456 -2.547 74.182 1.00 93.95 C
851
+ ATOM 851 CD2 LEU A 104 21.421 -1.348 73.181 1.00 93.49 C
852
+ ATOM 852 CG LEU A 104 20.024 -1.901 72.923 1.00 95.46 C
853
+ ATOM 853 N LEU A 104 19.279 -1.638 69.821 1.00 96.45 N
854
+ ATOM 854 O LEU A 104 22.046 -3.770 69.350 1.00 95.43 O
855
+ ATOM 855 C THR A 105 21.010 -4.699 66.745 1.00 94.75 C
856
+ ATOM 856 CA THR A 105 20.237 -5.207 67.958 1.00 94.93 C
857
+ ATOM 857 CB THR A 105 18.953 -5.918 67.492 1.00 93.70 C
858
+ ATOM 858 CG2 THR A 105 19.270 -7.028 66.496 1.00 80.12 C
859
+ ATOM 859 N THR A 105 19.933 -4.113 68.874 1.00 95.27 N
860
+ ATOM 860 O THR A 105 21.920 -5.371 66.256 1.00 93.96 O
861
+ ATOM 861 OG1 THR A 105 18.288 -6.485 68.627 1.00 80.10 O
862
+ ATOM 862 C GLU A 106 22.829 -2.635 65.444 1.00 94.02 C
863
+ ATOM 863 CA GLU A 106 21.362 -2.905 65.124 1.00 94.13 C
864
+ ATOM 864 CB GLU A 106 20.665 -1.602 64.718 1.00 92.94 C
865
+ ATOM 865 CD GLU A 106 18.529 -0.502 63.896 1.00 81.23 C
866
+ ATOM 866 CG GLU A 106 19.270 -1.806 64.143 1.00 85.90 C
867
+ ATOM 867 N GLU A 106 20.678 -3.520 66.257 1.00 94.41 N
868
+ ATOM 868 O GLU A 106 23.677 -2.646 64.550 1.00 93.08 O
869
+ ATOM 869 OE1 GLU A 106 19.135 0.581 64.057 1.00 78.41 O
870
+ ATOM 870 OE2 GLU A 106 17.331 -0.564 63.540 1.00 77.33 O
871
+ ATOM 871 C TYR A 107 25.119 -3.337 67.867 1.00 94.35 C
872
+ ATOM 872 CA TYR A 107 24.487 -2.157 67.138 1.00 94.38 C
873
+ ATOM 873 CB TYR A 107 24.507 -0.917 68.036 1.00 93.39 C
874
+ ATOM 874 CD1 TYR A 107 25.261 1.045 66.635 1.00 84.37 C
875
+ ATOM 875 CD2 TYR A 107 22.961 0.920 67.263 1.00 83.97 C
876
+ ATOM 876 CE1 TYR A 107 25.019 2.234 65.954 1.00 83.86 C
877
+ ATOM 877 CE2 TYR A 107 22.705 2.108 66.585 1.00 83.37 C
878
+ ATOM 878 CG TYR A 107 24.238 0.372 67.298 1.00 90.01 C
879
+ ATOM 879 CZ TYR A 107 23.739 2.756 65.935 1.00 81.12 C
880
+ ATOM 880 N TYR A 107 23.122 -2.469 66.726 1.00 94.40 N
881
+ ATOM 881 O TYR A 107 26.089 -3.168 68.612 1.00 93.39 O
882
+ ATOM 882 OH TYR A 107 23.493 3.933 65.264 1.00 77.97 O
883
+ ATOM 883 C ASP A 108 26.455 -5.896 68.461 1.00 94.93 C
884
+ ATOM 884 CA ASP A 108 24.952 -5.624 68.497 1.00 95.13 C
885
+ ATOM 885 CB ASP A 108 24.182 -6.863 68.035 1.00 94.28 C
886
+ ATOM 886 CG ASP A 108 24.370 -8.056 68.957 1.00 91.20 C
887
+ ATOM 887 N ASP A 108 24.608 -4.470 67.672 1.00 95.14 N
888
+ ATOM 888 O ASP A 108 27.094 -6.021 69.508 1.00 94.33 O
889
+ ATOM 889 OD1 ASP A 108 24.006 -7.968 70.149 1.00 88.69 O
890
+ ATOM 890 OD2 ASP A 108 24.888 -9.091 68.486 1.00 87.47 O
891
+ ATOM 891 C GLU A 109 29.298 -5.299 67.859 1.00 94.84 C
892
+ ATOM 892 CA GLU A 109 28.415 -6.337 67.171 1.00 94.70 C
893
+ ATOM 893 CB GLU A 109 28.812 -6.474 65.700 1.00 92.98 C
894
+ ATOM 894 CD GLU A 109 28.563 -7.785 63.538 1.00 74.93 C
895
+ ATOM 895 CG GLU A 109 28.244 -7.714 65.022 1.00 80.48 C
896
+ ATOM 896 N GLU A 109 27.002 -5.990 67.291 1.00 94.83 N
897
+ ATOM 897 O GLU A 109 30.217 -5.653 68.601 1.00 94.25 O
898
+ ATOM 898 OE1 GLU A 109 29.294 -6.904 63.030 1.00 70.66 O
899
+ ATOM 899 OE2 GLU A 109 28.077 -8.729 62.876 1.00 67.13 O
900
+ ATOM 900 C HIS A 110 29.687 -2.982 69.675 1.00 95.27 C
901
+ ATOM 901 CA HIS A 110 29.842 -3.005 68.157 1.00 94.89 C
902
+ ATOM 902 CB HIS A 110 29.411 -1.662 67.566 1.00 93.31 C
903
+ ATOM 903 CD2 HIS A 110 31.400 -0.479 68.734 1.00 67.95 C
904
+ ATOM 904 CE1 HIS A 110 31.111 1.525 67.891 1.00 65.10 C
905
+ ATOM 905 CG HIS A 110 30.323 -0.530 67.918 1.00 80.25 C
906
+ ATOM 906 N HIS A 110 29.074 -4.095 67.565 1.00 95.01 N
907
+ ATOM 907 ND1 HIS A 110 30.165 0.739 67.405 1.00 64.41 N
908
+ ATOM 908 NE2 HIS A 110 31.874 0.810 68.701 1.00 62.42 N
909
+ ATOM 909 O HIS A 110 30.675 -2.852 70.402 1.00 94.81 O
910
+ ATOM 910 C LEU A 111 28.899 -4.325 72.360 1.00 95.24 C
911
+ ATOM 911 CA LEU A 111 28.255 -3.122 71.676 1.00 95.51 C
912
+ ATOM 912 CB LEU A 111 26.748 -3.118 71.941 1.00 95.21 C
913
+ ATOM 913 CD1 LEU A 111 24.505 -2.029 71.672 1.00 92.93 C
914
+ ATOM 914 CD2 LEU A 111 26.413 -0.738 72.667 1.00 92.65 C
915
+ ATOM 915 CG LEU A 111 26.014 -1.806 71.654 1.00 94.53 C
916
+ ATOM 916 N LEU A 111 28.523 -3.135 70.243 1.00 95.26 N
917
+ ATOM 917 O LEU A 111 29.414 -4.209 73.474 1.00 94.69 O
918
+ ATOM 918 C THR A 112 30.983 -6.392 72.432 1.00 95.12 C
919
+ ATOM 919 CA THR A 112 29.484 -6.605 72.249 1.00 95.35 C
920
+ ATOM 920 CB THR A 112 29.242 -7.833 71.351 1.00 94.62 C
921
+ ATOM 921 CG2 THR A 112 29.975 -9.058 71.888 1.00 88.75 C
922
+ ATOM 922 N THR A 112 28.857 -5.411 71.694 1.00 95.42 N
923
+ ATOM 923 O THR A 112 31.545 -6.748 73.471 1.00 94.50 O
924
+ ATOM 924 OG1 THR A 112 27.839 -8.112 71.301 1.00 88.76 O
925
+ ATOM 925 C GLN A 113 33.302 -4.594 72.661 1.00 94.86 C
926
+ ATOM 926 CA GLN A 113 33.006 -5.587 71.541 1.00 94.87 C
927
+ ATOM 927 CB GLN A 113 33.550 -5.058 70.213 1.00 93.99 C
928
+ ATOM 928 CD GLN A 113 35.837 -6.088 70.553 1.00 80.68 C
929
+ ATOM 929 CG GLN A 113 35.055 -4.834 70.211 1.00 87.38 C
930
+ ATOM 930 N GLN A 113 31.575 -5.854 71.440 1.00 94.94 N
931
+ ATOM 931 NE2 GLN A 113 36.777 -5.966 71.484 1.00 72.19 N
932
+ ATOM 932 O GLN A 113 34.252 -4.775 73.424 1.00 94.29 O
933
+ ATOM 933 OE1 GLN A 113 35.597 -7.159 69.986 1.00 77.93 O
934
+ ATOM 934 C LEU A 114 32.584 -3.178 75.214 1.00 94.42 C
935
+ ATOM 935 CA LEU A 114 32.770 -2.569 73.829 1.00 94.65 C
936
+ ATOM 936 CB LEU A 114 31.794 -1.405 73.637 1.00 94.34 C
937
+ ATOM 937 CD1 LEU A 114 30.925 0.512 72.272 1.00 91.51 C
938
+ ATOM 938 CD2 LEU A 114 33.393 0.266 72.656 1.00 91.38 C
939
+ ATOM 939 CG LEU A 114 32.074 -0.474 72.454 1.00 93.49 C
940
+ ATOM 940 N LEU A 114 32.578 -3.573 72.789 1.00 94.49 N
941
+ ATOM 941 O LEU A 114 33.377 -2.921 76.122 1.00 93.82 O
942
+ ATOM 942 C GLU A 115 32.467 -5.546 77.072 1.00 94.04 C
943
+ ATOM 943 CA GLU A 115 31.304 -4.642 76.673 1.00 94.69 C
944
+ ATOM 944 CB GLU A 115 30.005 -5.449 76.619 1.00 94.27 C
945
+ ATOM 945 CD GLU A 115 27.474 -5.395 76.414 1.00 91.91 C
946
+ ATOM 946 CG GLU A 115 28.747 -4.593 76.626 1.00 93.30 C
947
+ ATOM 947 N GLU A 115 31.557 -3.990 75.392 1.00 94.65 N
948
+ ATOM 948 O GLU A 115 32.884 -5.555 78.232 1.00 93.03 O
949
+ ATOM 949 OE1 GLU A 115 27.497 -6.376 75.637 1.00 90.37 O
950
+ ATOM 950 OE2 GLU A 115 26.443 -5.039 77.028 1.00 90.95 O
951
+ ATOM 951 C LYS A 116 35.285 -6.263 76.797 1.00 93.54 C
952
+ ATOM 952 CA LYS A 116 34.071 -7.081 76.367 1.00 93.74 C
953
+ ATOM 953 CB LYS A 116 34.411 -7.914 75.130 1.00 92.47 C
954
+ ATOM 954 CD LYS A 116 33.875 -9.891 73.668 1.00 75.27 C
955
+ ATOM 955 CE LYS A 116 32.925 -11.055 73.423 1.00 65.89 C
956
+ ATOM 956 CG LYS A 116 33.474 -9.090 74.900 1.00 81.93 C
957
+ ATOM 957 N LYS A 116 32.922 -6.219 76.106 1.00 93.91 N
958
+ ATOM 958 NZ LYS A 116 33.292 -11.821 72.194 1.00 57.17 N
959
+ ATOM 959 O LYS A 116 35.978 -6.623 77.750 1.00 92.64 O
960
+ ATOM 960 C ASP A 117 36.528 -3.710 77.758 1.00 92.83 C
961
+ ATOM 961 CA ASP A 117 36.691 -4.366 76.389 1.00 92.96 C
962
+ ATOM 962 CB ASP A 117 36.868 -3.296 75.311 1.00 92.48 C
963
+ ATOM 963 CG ASP A 117 37.349 -3.862 73.985 1.00 90.73 C
964
+ ATOM 964 N ASP A 117 35.551 -5.223 76.078 1.00 93.03 N
965
+ ATOM 965 O ASP A 117 37.494 -3.591 78.514 1.00 92.11 O
966
+ ATOM 966 OD1 ASP A 117 37.869 -4.999 73.961 1.00 88.20 O
967
+ ATOM 967 OD2 ASP A 117 37.210 -3.165 72.958 1.00 87.27 O
968
+ ATOM 968 C ILE A 118 35.311 -3.718 80.524 1.00 92.16 C
969
+ ATOM 969 CA ILE A 118 35.084 -2.702 79.406 1.00 92.97 C
970
+ ATOM 970 CB ILE A 118 33.635 -2.165 79.457 1.00 92.79 C
971
+ ATOM 971 CD1 ILE A 118 32.042 -0.534 78.288 1.00 91.18 C
972
+ ATOM 972 CG1 ILE A 118 33.486 -0.946 78.541 1.00 92.13 C
973
+ ATOM 973 CG2 ILE A 118 33.237 -1.822 80.895 1.00 91.66 C
974
+ ATOM 974 N ILE A 118 35.382 -3.313 78.116 1.00 92.92 N
975
+ ATOM 975 O ILE A 118 35.950 -3.409 81.533 1.00 90.80 O
976
+ ATOM 976 C CYS A 119 36.394 -6.317 81.453 1.00 91.44 C
977
+ ATOM 977 CA CYS A 119 34.921 -5.979 81.253 1.00 92.16 C
978
+ ATOM 978 CB CYS A 119 34.155 -7.230 80.827 1.00 90.61 C
979
+ ATOM 979 N CYS A 119 34.759 -4.917 80.267 1.00 92.34 N
980
+ ATOM 980 O CYS A 119 36.853 -6.469 82.586 1.00 89.78 O
981
+ ATOM 981 SG CYS A 119 34.180 -8.553 82.054 1.00 76.38 S
982
+ ATOM 982 C THR A 120 39.275 -5.590 81.253 1.00 90.80 C
983
+ ATOM 983 CA THR A 120 38.529 -6.694 80.509 1.00 91.08 C
984
+ ATOM 984 CB THR A 120 39.125 -6.859 79.098 1.00 90.02 C
985
+ ATOM 985 CG2 THR A 120 40.619 -7.160 79.164 1.00 79.56 C
986
+ ATOM 986 N THR A 120 37.101 -6.404 80.450 1.00 91.36 N
987
+ ATOM 987 O THR A 120 40.156 -5.870 82.070 1.00 89.64 O
988
+ ATOM 988 OG1 THR A 120 38.460 -7.938 78.429 1.00 82.13 O
989
+ ATOM 989 C ALA A 121 39.389 -3.305 83.098 1.00 89.96 C
990
+ ATOM 990 CA ALA A 121 39.670 -3.299 81.598 1.00 90.35 C
991
+ ATOM 991 CB ALA A 121 39.203 -1.983 80.978 1.00 89.41 C
992
+ ATOM 992 N ALA A 121 39.025 -4.430 80.937 1.00 90.54 N
993
+ ATOM 993 O ALA A 121 40.276 -3.020 83.904 1.00 88.68 O
994
+ ATOM 994 C LYS A 122 38.605 -4.786 85.650 1.00 89.74 C
995
+ ATOM 995 CA LYS A 122 37.847 -3.676 84.926 1.00 90.16 C
996
+ ATOM 996 CB LYS A 122 36.340 -3.881 85.086 1.00 88.49 C
997
+ ATOM 997 CD LYS A 122 34.045 -2.851 85.193 1.00 75.29 C
998
+ ATOM 998 CE LYS A 122 33.248 -1.554 85.143 1.00 67.76 C
999
+ ATOM 999 CG LYS A 122 35.519 -2.613 84.891 1.00 80.03 C
1000
+ ATOM 1000 N LYS A 122 38.210 -3.627 83.512 1.00 90.51 N
1001
+ ATOM 1001 NZ LYS A 122 31.805 -1.779 85.454 1.00 59.59 N
1002
+ ATOM 1002 O LYS A 122 39.077 -4.593 86.772 1.00 88.16 O
1003
+ ATOM 1003 C GLU A 123 40.870 -6.622 85.770 1.00 89.53 C
1004
+ ATOM 1004 CA GLU A 123 39.391 -6.958 85.597 1.00 89.73 C
1005
+ ATOM 1005 CB GLU A 123 39.234 -8.211 84.731 1.00 88.10 C
1006
+ ATOM 1006 CD GLU A 123 37.652 -9.974 83.813 1.00 77.30 C
1007
+ ATOM 1007 CG GLU A 123 37.855 -8.847 84.814 1.00 81.54 C
1008
+ ATOM 1008 N GLU A 123 38.659 -5.838 85.016 1.00 89.58 N
1009
+ ATOM 1009 O GLU A 123 41.476 -6.967 86.786 1.00 88.38 O
1010
+ ATOM 1010 OE1 GLU A 123 38.572 -10.242 83.006 1.00 75.23 O
1011
+ ATOM 1011 OE2 GLU A 123 36.564 -10.591 83.834 1.00 71.87 O
1012
+ ATOM 1012 C ALA A 124 42.963 -4.578 86.040 1.00 88.66 C
1013
+ ATOM 1013 CA ALA A 124 42.748 -5.563 84.896 1.00 89.05 C
1014
+ ATOM 1014 CB ALA A 124 43.189 -4.943 83.573 1.00 87.84 C
1015
+ ATOM 1015 N ALA A 124 41.351 -5.984 84.822 1.00 88.87 N
1016
+ ATOM 1016 O ALA A 124 43.972 -4.647 86.748 1.00 87.43 O
1017
+ ATOM 1017 C ALA A 125 42.052 -3.364 88.612 1.00 87.39 C
1018
+ ATOM 1018 CA ALA A 125 42.150 -2.703 87.240 1.00 87.90 C
1019
+ ATOM 1019 CB ALA A 125 41.056 -1.652 87.080 1.00 86.76 C
1020
+ ATOM 1020 N ALA A 125 42.061 -3.696 86.171 1.00 88.01 N
1021
+ ATOM 1021 O ALA A 125 42.751 -2.970 89.548 1.00 85.93 O
1022
+ ATOM 1022 C LEU A 126 42.298 -5.904 90.357 1.00 87.36 C
1023
+ ATOM 1023 CA LEU A 126 41.050 -5.093 90.026 1.00 87.63 C
1024
+ ATOM 1024 CB LEU A 126 39.829 -6.014 89.964 1.00 85.43 C
1025
+ ATOM 1025 CD1 LEU A 126 37.352 -6.325 89.735 1.00 71.80 C
1026
+ ATOM 1026 CD2 LEU A 126 38.263 -4.769 91.480 1.00 72.26 C
1027
+ ATOM 1027 CG LEU A 126 38.462 -5.339 90.079 1.00 78.03 C
1028
+ ATOM 1028 N LEU A 126 41.214 -4.378 88.766 1.00 87.47 N
1029
+ ATOM 1029 O LEU A 126 42.699 -5.988 91.520 1.00 86.12 O
1030
+ ATOM 1030 C GLU A 127 45.226 -6.331 90.042 1.00 88.31 C
1031
+ ATOM 1031 CA GLU A 127 44.077 -7.226 89.587 1.00 89.39 C
1032
+ ATOM 1032 CB GLU A 127 44.458 -7.952 88.294 1.00 86.54 C
1033
+ ATOM 1033 CD GLU A 127 43.914 -9.815 86.653 1.00 70.84 C
1034
+ ATOM 1034 CG GLU A 127 43.562 -9.139 87.969 1.00 75.73 C
1035
+ ATOM 1035 N GLU A 127 42.850 -6.456 89.400 1.00 88.87 N
1036
+ ATOM 1036 O GLU A 127 46.044 -6.736 90.870 1.00 86.64 O
1037
+ ATOM 1037 OE1 GLU A 127 44.930 -9.435 86.030 1.00 71.21 O
1038
+ ATOM 1038 OE2 GLU A 127 43.166 -10.730 86.243 1.00 67.02 O
1039
+ ATOM 1039 C GLU A 128 46.014 -3.802 91.409 1.00 86.45 C
1040
+ ATOM 1040 CA GLU A 128 46.219 -4.240 89.961 1.00 88.18 C
1041
+ ATOM 1041 CB GLU A 128 46.215 -3.019 89.037 1.00 84.65 C
1042
+ ATOM 1042 CD GLU A 128 46.740 -2.086 86.734 1.00 68.69 C
1043
+ ATOM 1043 CG GLU A 128 46.807 -3.288 87.661 1.00 73.26 C
1044
+ ATOM 1044 N GLU A 128 45.196 -5.197 89.549 1.00 87.90 N
1045
+ ATOM 1045 O GLU A 128 46.984 -3.599 92.143 1.00 83.91 O
1046
+ ATOM 1046 OE1 GLU A 128 46.349 -0.988 87.190 1.00 68.61 O
1047
+ ATOM 1047 OE2 GLU A 128 47.080 -2.243 85.540 1.00 64.56 O
1048
+ ATOM 1048 C ALA A 129 44.683 -4.657 94.278 1.00 77.29 C
1049
+ ATOM 1049 CA ALA A 129 44.462 -3.501 93.308 1.00 81.11 C
1050
+ ATOM 1050 CB ALA A 129 43.019 -3.009 93.390 1.00 75.60 C
1051
+ ATOM 1051 N ALA A 129 44.788 -3.894 91.939 1.00 79.56 N
1052
+ ATOM 1052 O ALA A 129 45.192 -4.460 95.383 1.00 73.21 O
1053
+ TER 1053 ALA A 129
1054
+ END
6bqd/6bqd_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6bqd/6bqd_rdkit_ligand.pdb ADDED
@@ -0,0 +1,70 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6bqd_ligand
2
+ HETATM 1 C1 UNL 1 3.691 1.105 0.655 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 3.149 -1.242 0.458 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 1.432 0.274 0.779 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 0.498 -0.770 0.755 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 0.929 -2.069 0.577 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 0.271 -3.285 0.504 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 1.251 -4.241 0.310 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 2.280 -2.335 0.423 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 3.917 1.672 -0.692 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 6.339 1.146 -0.542 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 5.129 1.681 -1.221 1.00 0.00 C
13
+ HETATM 12 N1 UNL 1 2.742 0.006 0.629 1.00 0.00 N
14
+ HETATM 13 N2 UNL 1 2.455 -3.648 0.264 1.00 0.00 N
15
+ HETATM 14 O1 UNL 1 4.372 -1.488 0.319 1.00 0.00 O
16
+ HETATM 15 C12 UNL 1 -0.923 -0.499 0.930 1.00 0.00 C
17
+ HETATM 16 C13 UNL 1 -1.712 -1.191 1.820 1.00 0.00 C
18
+ HETATM 17 C14 UNL 1 -3.048 -0.953 1.992 1.00 0.00 C
19
+ HETATM 18 C15 UNL 1 -3.639 0.036 1.232 1.00 0.00 C
20
+ HETATM 19 C16 UNL 1 -2.906 0.769 0.321 1.00 0.00 C
21
+ HETATM 20 C17 UNL 1 -1.557 0.493 0.180 1.00 0.00 C
22
+ HETATM 21 C18 UNL 1 -3.527 1.818 -0.485 1.00 0.00 C
23
+ HETATM 22 O2 UNL 1 -2.959 2.931 -0.539 1.00 0.00 O
24
+ HETATM 23 N3 UNL 1 -4.726 1.589 -1.180 1.00 0.00 N
25
+ HETATM 24 C19 UNL 1 -5.429 0.310 -1.152 1.00 0.00 C
26
+ HETATM 25 C20 UNL 1 -5.302 2.674 -1.968 1.00 0.00 C
27
+ HETATM 26 H1 UNL 1 3.248 1.906 1.286 1.00 0.00 H
28
+ HETATM 27 H2 UNL 1 4.636 0.803 1.149 1.00 0.00 H
29
+ HETATM 28 H3 UNL 1 1.070 1.280 0.919 1.00 0.00 H
30
+ HETATM 29 H4 UNL 1 -0.786 -3.390 0.587 1.00 0.00 H
31
+ HETATM 30 H5 UNL 1 1.030 -5.316 0.214 1.00 0.00 H
32
+ HETATM 31 H6 UNL 1 3.097 2.085 -1.262 1.00 0.00 H
33
+ HETATM 32 H7 UNL 1 6.416 1.496 0.519 1.00 0.00 H
34
+ HETATM 33 H8 UNL 1 7.237 1.618 -1.038 1.00 0.00 H
35
+ HETATM 34 H9 UNL 1 6.418 0.059 -0.641 1.00 0.00 H
36
+ HETATM 35 H10 UNL 1 5.292 2.107 -2.237 1.00 0.00 H
37
+ HETATM 36 H11 UNL 1 3.379 -4.107 0.128 1.00 0.00 H
38
+ HETATM 37 H12 UNL 1 -1.241 -1.975 2.431 1.00 0.00 H
39
+ HETATM 38 H13 UNL 1 -3.673 -1.508 2.702 1.00 0.00 H
40
+ HETATM 39 H14 UNL 1 -4.713 0.236 1.365 1.00 0.00 H
41
+ HETATM 40 H15 UNL 1 -0.922 1.041 -0.528 1.00 0.00 H
42
+ HETATM 41 H16 UNL 1 -4.739 -0.517 -0.912 1.00 0.00 H
43
+ HETATM 42 H17 UNL 1 -5.906 0.160 -2.165 1.00 0.00 H
44
+ HETATM 43 H18 UNL 1 -6.290 0.345 -0.441 1.00 0.00 H
45
+ HETATM 44 H19 UNL 1 -6.399 2.646 -1.889 1.00 0.00 H
46
+ HETATM 45 H20 UNL 1 -4.970 2.603 -3.035 1.00 0.00 H
47
+ HETATM 46 H21 UNL 1 -4.910 3.645 -1.602 1.00 0.00 H
48
+ CONECT 1 9 12 26 27
49
+ CONECT 2 8 12 14 14
50
+ CONECT 3 4 4 12 28
51
+ CONECT 4 5 15
52
+ CONECT 5 6 8 8
53
+ CONECT 6 7 7 29
54
+ CONECT 7 13 30
55
+ CONECT 8 13
56
+ CONECT 9 11 11 31
57
+ CONECT 10 11 32 33 34
58
+ CONECT 11 35
59
+ CONECT 13 36
60
+ CONECT 15 16 16 20
61
+ CONECT 16 17 37
62
+ CONECT 17 18 18 38
63
+ CONECT 18 19 39
64
+ CONECT 19 20 20 21
65
+ CONECT 20 40
66
+ CONECT 21 22 22 23
67
+ CONECT 23 24 25
68
+ CONECT 24 41 42 43
69
+ CONECT 25 44 45 46
70
+ END
6c85/6c85_ligand.mol2 ADDED
@@ -0,0 +1,48 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:12:45 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6c85_ligand
7
+ 16 16 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 O5 45.3800 49.3790 465.2910 O.2 1 PLQ -0.3913
14
+ 2 C5 45.0300 49.9050 464.2910 C.2 1 PLQ 0.1095
15
+ 3 C6 44.7860 51.4140 464.2690 C.3 1 PLQ 0.0370
16
+ 4 C4 44.8050 49.0920 463.0270 C.3 1 PLQ 0.0370
17
+ 5 C3 44.3470 49.8060 461.7590 C.3 1 PLQ 0.0370
18
+ 6 C2 44.0970 51.3200 461.7260 C.2 1 PLQ 0.1095
19
+ 7 O2 43.7450 51.8300 460.6850 O.2 1 PLQ -0.3913
20
+ 8 C1 44.3110 52.1370 463.0160 C.3 1 PLQ 0.0370
21
+ 9 H1 45.7391 51.8841 464.5528 H 1 PLQ 0.0519
22
+ 10 H2 44.0325 51.6153 465.0447 H 1 PLQ 0.0519
23
+ 11 H3 44.0435 48.3340 463.2628 H 1 PLQ 0.0519
24
+ 12 H4 45.7570 48.5942 462.7904 H 1 PLQ 0.0519
25
+ 13 H5 43.4005 49.3307 461.4622 H 1 PLQ 0.0519
26
+ 14 H6 45.1139 49.6034 460.9969 H 1 PLQ 0.0519
27
+ 15 H7 45.0564 52.9131 462.7878 H 1 PLQ 0.0519
28
+ 16 H8 43.3499 52.6125 463.2612 H 1 PLQ 0.0519
29
+ @<TRIPOS>BOND
30
+ 1 1 2 2
31
+ 2 2 3 1
32
+ 3 2 4 1
33
+ 4 3 8 1
34
+ 5 4 5 1
35
+ 6 5 6 1
36
+ 7 6 7 2
37
+ 8 6 8 1
38
+ 9 3 9 1
39
+ 10 3 10 1
40
+ 11 4 11 1
41
+ 12 4 12 1
42
+ 13 5 13 1
43
+ 14 5 14 1
44
+ 15 8 15 1
45
+ 16 8 16 1
46
+ @<TRIPOS>SUBSTRUCTURE
47
+ 1 PLQ 1
48
+
6c85/6c85_ligand.sdf ADDED
@@ -0,0 +1,38 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6c85_ligand
2
+ -I-interpret-
3
+
4
+ 16 16 0 0 0 0 0 0 0 0999 V2000
5
+ 45.3800 49.3790 465.2910 O 0 0 0 0 0
6
+ 45.0300 49.9050 464.2910 C 0 0 0 0 0
7
+ 44.7860 51.4140 464.2690 C 0 0 0 0 0
8
+ 44.8050 49.0920 463.0270 C 0 0 0 0 0
9
+ 44.3470 49.8060 461.7590 C 0 0 0 0 0
10
+ 44.0970 51.3200 461.7260 C 0 0 0 0 0
11
+ 43.7450 51.8300 460.6850 O 0 0 0 0 0
12
+ 44.3110 52.1370 463.0160 C 0 0 0 0 0
13
+ 45.7749 51.8358 464.4486 H 0 0 0 0 0
14
+ 43.9632 51.5505 464.9707 H 0 0 0 0 0
15
+ 43.9919 48.4093 463.2737 H 0 0 0 0 0
16
+ 45.7840 48.6814 462.7796 H 0 0 0 0 0
17
+ 43.3632 49.3788 461.5645 H 0 0 0 0 0
18
+ 45.1811 49.6682 461.0709 H 0 0 0 0 0
19
+ 45.1075 52.8415 462.7763 H 0 0 0 0 0
20
+ 43.3258 52.5277 463.2706 H 0 0 0 0 0
21
+ 1 2 2 0 0 0
22
+ 2 3 1 0 0 0
23
+ 2 4 1 0 0 0
24
+ 3 8 1 0 0 0
25
+ 4 5 1 0 0 0
26
+ 5 6 1 0 0 0
27
+ 6 7 2 0 0 0
28
+ 6 8 1 0 0 0
29
+ 3 9 1 0 0 0
30
+ 3 10 1 0 0 0
31
+ 4 11 1 0 0 0
32
+ 4 12 1 0 0 0
33
+ 5 13 1 0 0 0
34
+ 5 14 1 0 0 0
35
+ 8 15 1 0 0 0
36
+ 8 16 1 0 0 0
37
+ M END
38
+ $$$$
6c85/6c85_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6c85/6c85_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6c85/6c85_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6c85/6c85_rdkit_ligand.pdb ADDED
@@ -0,0 +1,25 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6c85_ligand
2
+ HETATM 1 O1 UNL 1 -1.413 -1.655 1.247 1.00 0.00 O
3
+ HETATM 2 C1 UNL 1 -0.859 -0.979 0.422 1.00 0.00 C
4
+ HETATM 3 C2 UNL 1 0.414 -1.413 -0.183 1.00 0.00 C
5
+ HETATM 4 C3 UNL 1 -1.446 0.303 -0.004 1.00 0.00 C
6
+ HETATM 5 C4 UNL 1 -0.406 1.430 0.032 1.00 0.00 C
7
+ HETATM 6 C5 UNL 1 0.918 0.938 -0.372 1.00 0.00 C
8
+ HETATM 7 O2 UNL 1 1.585 1.576 -1.149 1.00 0.00 O
9
+ HETATM 8 C6 UNL 1 1.444 -0.332 0.163 1.00 0.00 C
10
+ HETATM 9 H1 UNL 1 0.343 -1.381 -1.308 1.00 0.00 H
11
+ HETATM 10 H2 UNL 1 0.747 -2.411 0.152 1.00 0.00 H
12
+ HETATM 11 H3 UNL 1 -1.757 0.187 -1.072 1.00 0.00 H
13
+ HETATM 12 H4 UNL 1 -2.322 0.611 0.599 1.00 0.00 H
14
+ HETATM 13 H5 UNL 1 -0.409 1.777 1.104 1.00 0.00 H
15
+ HETATM 14 H6 UNL 1 -0.806 2.221 -0.644 1.00 0.00 H
16
+ HETATM 15 H7 UNL 1 2.435 -0.575 -0.275 1.00 0.00 H
17
+ HETATM 16 H8 UNL 1 1.533 -0.297 1.287 1.00 0.00 H
18
+ CONECT 1 2 2
19
+ CONECT 2 3 4
20
+ CONECT 3 8 9 10
21
+ CONECT 4 5 11 12
22
+ CONECT 5 6 13 14
23
+ CONECT 6 7 7 8
24
+ CONECT 8 15 16
25
+ END
6cf7/6cf7_ligand.mol2 ADDED
@@ -0,0 +1,157 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:12:48 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6cf7_ligand
7
+ 68 73 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C2 15.3300 41.0530 18.6220 C.ar 1 EZ7 -0.0471
14
+ 2 C3 14.0490 41.1320 19.1400 C.ar 1 EZ7 0.0545
15
+ 3 C4 13.8840 41.7480 20.3800 C.ar 1 EZ7 -0.0378
16
+ 4 C11 14.9400 42.2330 21.0380 C.ar 1 EZ7 0.0393
17
+ 5 C12 16.1680 42.1440 20.5210 C.ar 1 EZ7 0.1332
18
+ 6 C16 18.3210 43.7080 23.4510 C.ar 1 EZ7 -0.0125
19
+ 7 C18 16.2170 44.3820 24.4020 C.ar 1 EZ7 0.0036
20
+ 8 C19 16.8960 45.0220 25.4460 C.ar 1 EZ7 0.1262
21
+ 9 C60 10.9180 39.7690 17.7420 C.3 1 EZ7 0.0311
22
+ 10 C58 11.8180 40.3840 18.8110 C.2 1 EZ7 0.1981
23
+ 11 O59 11.3710 40.6220 19.9320 O.2 1 EZ7 -0.3864
24
+ 12 N7 13.0750 40.6080 18.3800 N.am 1 EZ7 -0.2399
25
+ 13 C1 16.3870 41.5740 19.3450 C.ar 1 EZ7 -0.0357
26
+ 14 O13 17.0190 42.6960 21.3640 O.3 1 EZ7 -0.2259
27
+ 15 N10 15.0600 42.8540 22.2130 N.2 1 EZ7 -0.2861
28
+ 16 C9 16.3530 43.1200 22.3700 C.2 1 EZ7 0.2107
29
+ 17 C17 16.9340 43.7300 23.3990 C.ar 1 EZ7 0.0697
30
+ 18 C15 18.9770 44.3320 24.5020 C.ar 1 EZ7 0.0202
31
+ 19 N14 18.2380 44.9710 25.4950 N.ar 1 EZ7 -0.2738
32
+ 20 C23 16.2110 45.6640 26.4850 C.2 1 EZ7 0.2272
33
+ 21 O24 15.4540 44.9800 27.1690 O.2 1 EZ7 -0.3788
34
+ 22 N27 16.4520 46.9610 26.7920 N.am 1 EZ7 -0.2602
35
+ 23 C28 15.7560 47.5940 27.9320 C.3 1 EZ7 0.0738
36
+ 24 C29 16.7250 48.4600 28.7430 C.3 1 EZ7 -0.0078
37
+ 25 C26 17.3640 47.8280 26.0070 C.3 1 EZ7 0.0738
38
+ 26 C25 18.2130 48.7270 26.9090 C.3 1 EZ7 -0.0078
39
+ 27 N30 17.4210 49.4590 27.9120 N.4 1 EZ7 0.2648
40
+ 28 C40 18.3290 50.2790 28.7500 C.3 1 EZ7 0.0714
41
+ 29 C52 18.9660 51.4330 27.9800 C.2 1 EZ7 0.1766
42
+ 30 N56 18.4970 52.0230 26.9060 N.2 1 EZ7 -0.1520
43
+ 31 N53 20.0960 52.0310 28.2880 N.2 1 EZ7 -0.1733
44
+ 32 N54 20.2360 52.8150 27.5140 N.2 1 EZ7 -0.0566
45
+ 33 N55 19.2830 52.8250 26.6730 N.pl3 1 EZ7 -0.1038
46
+ 34 C57 19.2460 53.7730 25.5550 C.3 1 EZ7 0.0834
47
+ 35 C44 17.7030 50.8000 29.8810 C.ar 1 EZ7 0.0177
48
+ 36 C43 18.1760 50.4320 31.1340 C.ar 1 EZ7 -0.0530
49
+ 37 C42 17.5690 50.9330 32.2760 C.ar 1 EZ7 -0.0680
50
+ 38 C41 16.4950 51.8090 32.1680 C.ar 1 EZ7 -0.0685
51
+ 39 C46 16.0230 52.1870 30.9160 C.ar 1 EZ7 -0.0680
52
+ 40 C45 16.6310 51.6850 29.7700 C.ar 1 EZ7 -0.0530
53
+ 41 H1 15.5029 40.5871 17.6586 H 1 EZ7 0.0479
54
+ 42 H2 12.8935 41.8336 20.8121 H 1 EZ7 0.0423
55
+ 43 H3 18.8880 43.2063 22.6751 H 1 EZ7 0.0783
56
+ 44 H4 15.1334 44.3933 24.3733 H 1 EZ7 0.0808
57
+ 45 H5 11.4923 39.6317 16.8139 H 1 EZ7 0.0471
58
+ 46 H6 10.0662 40.4381 17.5505 H 1 EZ7 0.0471
59
+ 47 H7 10.5472 38.7941 18.0913 H 1 EZ7 0.0471
60
+ 48 H8 13.2958 40.3687 17.4345 H 1 EZ7 0.2225
61
+ 49 H9 17.3948 41.5162 18.9499 H 1 EZ7 0.0542
62
+ 50 H10 20.0599 44.3224 24.5504 H 1 EZ7 0.0844
63
+ 51 H11 15.3411 46.8100 28.5825 H 1 EZ7 0.0575
64
+ 52 H12 14.9393 48.2251 27.5515 H 1 EZ7 0.0575
65
+ 53 H13 17.4756 47.8059 29.2108 H 1 EZ7 0.0835
66
+ 54 H14 16.1580 48.9856 29.5254 H 1 EZ7 0.0835
67
+ 55 H15 16.7639 48.4613 25.3371 H 1 EZ7 0.0575
68
+ 56 H16 18.0325 47.1916 25.4086 H 1 EZ7 0.0575
69
+ 57 H17 18.7390 49.4583 26.2778 H 1 EZ7 0.0835
70
+ 58 H18 18.9484 48.1000 27.4344 H 1 EZ7 0.0835
71
+ 59 H19 16.7492 50.0563 27.4561 H 1 EZ7 0.2068
72
+ 60 H20 19.1373 49.6147 29.0897 H 1 EZ7 0.1198
73
+ 61 H21 18.3371 53.6022 24.9594 H 1 EZ7 0.0631
74
+ 62 H22 20.1328 53.6268 24.9208 H 1 EZ7 0.0631
75
+ 63 H23 19.2403 54.8011 25.9460 H 1 EZ7 0.0631
76
+ 64 H24 19.0179 49.7545 31.2192 H 1 EZ7 0.0562
77
+ 65 H25 17.9327 50.6410 33.2545 H 1 EZ7 0.0600
78
+ 66 H26 16.0238 52.1988 33.0631 H 1 EZ7 0.0561
79
+ 67 H27 15.1851 52.8697 30.8333 H 1 EZ7 0.0600
80
+ 68 H28 16.2717 51.9816 28.7912 H 1 EZ7 0.0562
81
+ @<TRIPOS>BOND
82
+ 1 2 1 ar
83
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84
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85
+ 4 2 12 1
86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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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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113
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116
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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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123
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124
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125
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126
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127
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128
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146
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147
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148
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149
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150
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151
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152
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153
+ 72 39 67 1
154
+ 73 40 68 1
155
+ @<TRIPOS>SUBSTRUCTURE
156
+ 1 EZ7 1
157
+
6cf7/6cf7_ligand.sdf ADDED
@@ -0,0 +1,147 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6cf7_ligand
2
+ -I-interpret-
3
+
4
+ 68 73 0 0 0 0 0 0 0 0999 V2000
5
+ 15.3300 41.0530 18.6220 C 0 0 0 0 0
6
+ 14.0490 41.1320 19.1400 C 0 0 0 0 0
7
+ 13.8840 41.7480 20.3800 C 0 0 0 0 0
8
+ 14.9400 42.2330 21.0380 C 0 0 0 0 0
9
+ 16.1680 42.1440 20.5210 C 0 0 0 0 0
10
+ 18.3210 43.7080 23.4510 C 0 0 0 0 0
11
+ 16.2170 44.3820 24.4020 C 0 0 0 0 0
12
+ 16.8960 45.0220 25.4460 C 0 0 0 0 0
13
+ 10.9180 39.7690 17.7420 C 0 0 0 0 0
14
+ 11.8180 40.3840 18.8110 C 0 0 0 0 0
15
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16
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17
+ 16.3870 41.5740 19.3450 C 0 0 0 0 0
18
+ 17.0190 42.6960 21.3640 O 0 0 0 0 0
19
+ 15.0600 42.8540 22.2130 N 0 0 0 0 0
20
+ 16.3530 43.1200 22.3700 C 0 0 0 0 0
21
+ 16.9340 43.7300 23.3990 C 0 0 0 0 0
22
+ 18.9770 44.3320 24.5020 C 0 0 0 0 0
23
+ 18.2380 44.9710 25.4950 N 0 0 0 0 0
24
+ 16.2110 45.6640 26.4850 C 0 0 0 0 0
25
+ 15.4540 44.9800 27.1690 O 0 0 0 0 0
26
+ 16.4520 46.9610 26.7920 N 0 0 0 0 0
27
+ 15.7560 47.5940 27.9320 C 0 0 0 0 0
28
+ 16.7250 48.4600 28.7430 C 0 0 0 0 0
29
+ 17.3640 47.8280 26.0070 C 0 0 0 0 0
30
+ 18.2130 48.7270 26.9090 C 0 0 0 0 0
31
+ 17.4210 49.4590 27.9120 N 0 3 0 0 0
32
+ 18.3290 50.2790 28.7500 C 0 0 0 0 0
33
+ 18.9660 51.4330 27.9800 C 0 0 0 0 0
34
+ 18.4970 52.0230 26.9060 N 0 0 0 0 0
35
+ 20.0960 52.0310 28.2880 N 0 0 0 0 0
36
+ 20.2360 52.8150 27.5140 N 0 0 0 0 0
37
+ 19.2830 52.8250 26.6730 N 0 0 0 0 0
38
+ 19.2460 53.7730 25.5550 C 0 0 0 0 0
39
+ 17.7030 50.8000 29.8810 C 0 0 0 0 0
40
+ 18.1760 50.4320 31.1340 C 0 0 0 0 0
41
+ 17.5690 50.9330 32.2760 C 0 0 0 0 0
42
+ 16.4950 51.8090 32.1680 C 0 0 0 0 0
43
+ 16.0230 52.1870 30.9160 C 0 0 0 0 0
44
+ 16.6310 51.6850 29.7700 C 0 0 0 0 0
45
+ 15.5039 40.5845 17.6533 H 0 0 0 0 0
46
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47
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48
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49
+ 10.5512 38.8031 18.0894 H 0 0 0 0 0
50
+ 10.0744 40.4329 17.5532 H 0 0 0 0 0
51
+ 11.4881 39.6334 16.8229 H 0 0 0 0 0
52
+ 13.3003 40.3639 17.4156 H 0 0 0 0 0
53
+ 17.4003 41.5159 18.9477 H 0 0 0 0 0
54
+ 20.0659 44.3224 24.5506 H 0 0 0 0 0
55
+ 15.3551 46.8132 28.5783 H 0 0 0 0 0
56
+ 14.9541 48.2254 27.5493 H 0 0 0 0 0
57
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58
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59
+ 16.7591 48.4648 25.3614 H 0 0 0 0 0
60
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61
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62
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63
+ 16.7451 50.0789 27.4655 H 0 0 0 0 0
64
+ 19.1071 49.5822 29.0617 H 0 0 0 0 0
65
+ 19.2342 53.2229 24.6141 H 0 0 0 0 0
66
+ 18.3481 54.3864 25.6300 H 0 0 0 0 0
67
+ 20.1283 54.4119 25.5927 H 0 0 0 0 0
68
+ 19.0226 49.7508 31.2197 H 0 0 0 0 0
69
+ 17.9347 50.6394 33.2599 H 0 0 0 0 0
70
+ 16.0212 52.2009 33.0680 H 0 0 0 0 0
71
+ 15.1805 52.8735 30.8329 H 0 0 0 0 0
72
+ 16.2697 51.9832 28.7858 H 0 0 0 0 0
73
+ 2 1 4 0 0 0
74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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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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123
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124
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125
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126
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127
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128
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129
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130
+ 24 53 1 0 0 0
131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
+ 36 64 1 0 0 0
142
+ 37 65 1 0 0 0
143
+ 38 66 1 0 0 0
144
+ 39 67 1 0 0 0
145
+ 40 68 1 0 0 0
146
+ M END
147
+ $$$$
6cf7/6cf7_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cf7/6cf7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cf7/6cf7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6cf7/6cf7_rdkit_ligand.pdb ADDED
@@ -0,0 +1,106 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6cf7_ligand
2
+ HETATM 1 C1 UNL 1 8.505 0.532 1.516 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 8.961 0.196 0.272 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 7.986 -0.321 -0.596 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 6.664 -0.483 -0.235 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 6.243 -0.128 1.043 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 2.908 -1.855 -1.560 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 2.064 -1.089 0.488 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 0.779 -1.466 0.109 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 12.732 0.898 -0.125 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 11.367 0.811 0.529 1.00 0.00 C
12
+ HETATM 11 O1 UNL 1 11.229 1.174 1.723 1.00 0.00 O
13
+ HETATM 12 N1 UNL 1 10.285 0.328 -0.207 1.00 0.00 N
14
+ HETATM 13 C11 UNL 1 7.170 0.381 1.921 1.00 0.00 C
15
+ HETATM 14 O2 UNL 1 4.961 -0.380 1.114 1.00 0.00 O
16
+ HETATM 15 N2 UNL 1 5.562 -0.938 -0.853 1.00 0.00 N
17
+ HETATM 16 C12 UNL 1 4.498 -0.872 -0.009 1.00 0.00 C
18
+ HETATM 17 C13 UNL 1 3.143 -1.271 -0.326 1.00 0.00 C
19
+ HETATM 18 C14 UNL 1 1.632 -2.223 -1.920 1.00 0.00 C
20
+ HETATM 19 N3 UNL 1 0.625 -2.021 -1.089 1.00 0.00 N
21
+ HETATM 20 C15 UNL 1 -0.341 -1.255 0.986 1.00 0.00 C
22
+ HETATM 21 O3 UNL 1 -0.077 -1.056 2.209 1.00 0.00 O
23
+ HETATM 22 N4 UNL 1 -1.715 -1.251 0.600 1.00 0.00 N
24
+ HETATM 23 C16 UNL 1 -2.704 -1.027 1.640 1.00 0.00 C
25
+ HETATM 24 C17 UNL 1 -4.094 -1.281 1.182 1.00 0.00 C
26
+ HETATM 25 C18 UNL 1 -2.155 -1.469 -0.744 1.00 0.00 C
27
+ HETATM 26 C19 UNL 1 -3.453 -0.866 -1.107 1.00 0.00 C
28
+ HETATM 27 N5 UNL 1 -4.458 -0.780 -0.095 1.00 0.00 N1+
29
+ HETATM 28 C20 UNL 1 -4.929 0.595 -0.094 1.00 0.00 C
30
+ HETATM 29 C21 UNL 1 -5.714 0.777 -1.351 1.00 0.00 C
31
+ HETATM 30 N6 UNL 1 -6.898 1.434 -1.510 1.00 0.00 N
32
+ HETATM 31 N7 UNL 1 -5.355 0.302 -2.549 1.00 0.00 N
33
+ HETATM 32 N8 UNL 1 -6.309 0.670 -3.408 1.00 0.00 N
34
+ HETATM 33 N9 UNL 1 -7.241 1.347 -2.809 1.00 0.00 N
35
+ HETATM 34 C22 UNL 1 -8.424 1.924 -3.383 1.00 0.00 C
36
+ HETATM 35 C23 UNL 1 -5.822 0.944 1.022 1.00 0.00 C
37
+ HETATM 36 C24 UNL 1 -5.560 2.105 1.736 1.00 0.00 C
38
+ HETATM 37 C25 UNL 1 -6.331 2.542 2.784 1.00 0.00 C
39
+ HETATM 38 C26 UNL 1 -7.434 1.813 3.174 1.00 0.00 C
40
+ HETATM 39 C27 UNL 1 -7.714 0.653 2.475 1.00 0.00 C
41
+ HETATM 40 C28 UNL 1 -6.920 0.225 1.416 1.00 0.00 C
42
+ HETATM 41 H1 UNL 1 9.160 0.937 2.254 1.00 0.00 H
43
+ HETATM 42 H2 UNL 1 8.311 -0.602 -1.577 1.00 0.00 H
44
+ HETATM 43 H3 UNL 1 3.736 -2.013 -2.221 1.00 0.00 H
45
+ HETATM 44 H4 UNL 1 2.248 -0.634 1.455 1.00 0.00 H
46
+ HETATM 45 H5 UNL 1 13.416 0.132 0.270 1.00 0.00 H
47
+ HETATM 46 H6 UNL 1 13.076 1.936 0.047 1.00 0.00 H
48
+ HETATM 47 H7 UNL 1 12.603 0.778 -1.208 1.00 0.00 H
49
+ HETATM 48 H8 UNL 1 10.503 0.040 -1.224 1.00 0.00 H
50
+ HETATM 49 H9 UNL 1 6.849 0.657 2.914 1.00 0.00 H
51
+ HETATM 50 H10 UNL 1 1.453 -2.680 -2.886 1.00 0.00 H
52
+ HETATM 51 H11 UNL 1 -2.600 -0.058 2.146 1.00 0.00 H
53
+ HETATM 52 H12 UNL 1 -2.475 -1.842 2.403 1.00 0.00 H
54
+ HETATM 53 H13 UNL 1 -4.793 -0.811 1.939 1.00 0.00 H
55
+ HETATM 54 H14 UNL 1 -4.312 -2.384 1.218 1.00 0.00 H
56
+ HETATM 55 H15 UNL 1 -1.402 -1.064 -1.477 1.00 0.00 H
57
+ HETATM 56 H16 UNL 1 -2.207 -2.581 -0.877 1.00 0.00 H
58
+ HETATM 57 H17 UNL 1 -3.827 -1.424 -2.024 1.00 0.00 H
59
+ HETATM 58 H18 UNL 1 -3.225 0.159 -1.540 1.00 0.00 H
60
+ HETATM 59 H19 UNL 1 -5.263 -1.403 -0.435 1.00 0.00 H
61
+ HETATM 60 H20 UNL 1 -4.045 1.239 -0.074 1.00 0.00 H
62
+ HETATM 61 H21 UNL 1 -9.357 1.416 -3.040 1.00 0.00 H
63
+ HETATM 62 H22 UNL 1 -8.373 1.949 -4.484 1.00 0.00 H
64
+ HETATM 63 H23 UNL 1 -8.495 2.983 -3.052 1.00 0.00 H
65
+ HETATM 64 H24 UNL 1 -4.696 2.698 1.453 1.00 0.00 H
66
+ HETATM 65 H25 UNL 1 -6.119 3.455 3.342 1.00 0.00 H
67
+ HETATM 66 H26 UNL 1 -8.090 2.092 3.988 1.00 0.00 H
68
+ HETATM 67 H27 UNL 1 -8.586 0.084 2.791 1.00 0.00 H
69
+ HETATM 68 H28 UNL 1 -7.156 -0.678 0.888 1.00 0.00 H
70
+ CONECT 1 2 2 13 41
71
+ CONECT 2 3 12
72
+ CONECT 3 4 4 42
73
+ CONECT 4 5 15
74
+ CONECT 5 13 13 14
75
+ CONECT 6 17 17 18 43
76
+ CONECT 7 8 8 17 44
77
+ CONECT 8 19 20
78
+ CONECT 9 10 45 46 47
79
+ CONECT 10 11 11 12
80
+ CONECT 12 48
81
+ CONECT 13 49
82
+ CONECT 14 16
83
+ CONECT 15 16 16
84
+ CONECT 16 17
85
+ CONECT 18 19 19 50
86
+ CONECT 20 21 21 22
87
+ CONECT 22 23 25
88
+ CONECT 23 24 51 52
89
+ CONECT 24 27 53 54
90
+ CONECT 25 26 55 56
91
+ CONECT 26 27 57 58
92
+ CONECT 27 28 59
93
+ CONECT 28 29 35 60
94
+ CONECT 29 30 30 31
95
+ CONECT 30 33
96
+ CONECT 31 32 32
97
+ CONECT 32 33
98
+ CONECT 33 34
99
+ CONECT 34 61 62 63
100
+ CONECT 35 36 36 40
101
+ CONECT 36 37 64
102
+ CONECT 37 38 38 65
103
+ CONECT 38 39 66
104
+ CONECT 39 40 40 67
105
+ CONECT 40 68
106
+ END
6cjj/6cjj_ligand.mol2 ADDED
@@ -0,0 +1,96 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:12:48 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6cjj_ligand
7
+ 39 41 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 PB 100.3410 42.3370 104.0140 P.3 1 ADP 0.2069
14
+ 2 O1B 100.3760 41.0690 103.2030 O.co2 1 ADP -0.5891
15
+ 3 O2B 101.6450 43.1280 104.0510 O.co2 1 ADP -0.5891
16
+ 4 O3B 99.1200 43.1910 103.7150 O.co2 1 ADP -0.5891
17
+ 5 PA 98.9070 41.8180 106.4760 P.3 1 ADP 0.3276
18
+ 6 O1A 98.2980 43.1930 106.4900 O.co2 1 ADP -0.5556
19
+ 7 O2A 99.2800 41.1930 107.8000 O.co2 1 ADP -0.5556
20
+ 8 O3A 100.2150 41.7600 105.5240 O.3 1 ADP -0.1548
21
+ 9 O5' 97.9130 40.7890 105.7450 O.3 1 ADP -0.2436
22
+ 10 C5' 98.2550 39.4090 105.7570 C.3 1 ADP 0.1132
23
+ 11 C4' 97.5590 38.7050 104.5980 C.3 1 ADP 0.1189
24
+ 12 O4' 96.1820 38.4830 104.9400 O.3 1 ADP -0.3364
25
+ 13 C3' 97.5060 39.4610 103.2710 C.3 1 ADP 0.1149
26
+ 14 O3' 98.6960 39.3740 102.4680 O.3 1 ADP -0.3864
27
+ 15 C2' 96.3190 38.8020 102.5900 C.3 1 ADP 0.1385
28
+ 16 O2' 96.7070 37.5600 101.9620 O.3 1 ADP -0.3836
29
+ 17 C1' 95.3860 38.5110 103.7520 C.3 1 ADP 0.2010
30
+ 18 N9 94.3630 39.5710 103.9240 N.pl3 1 ADP -0.1919
31
+ 19 C8 94.3010 40.4720 104.9400 C.2 1 ADP 0.1123
32
+ 20 N7 93.2050 41.2610 104.8020 N.2 1 ADP -0.2958
33
+ 21 C5 92.5680 40.8460 103.6790 C.ar 1 ADP 0.1045
34
+ 22 C6 91.3680 41.2490 102.9440 C.ar 1 ADP 0.1298
35
+ 23 N6 90.6400 42.2800 103.3960 N.pl3 1 ADP -0.3152
36
+ 24 N1 91.0370 40.5650 101.8310 N.ar 1 ADP -0.2698
37
+ 25 C2 91.7870 39.5470 101.3580 C.ar 1 ADP 0.0533
38
+ 26 N3 92.9120 39.1190 101.9720 N.ar 1 ADP -0.2714
39
+ 27 C4 93.3290 39.7310 103.1130 C.ar 1 ADP 0.1613
40
+ 28 H1 97.9316 38.9590 106.7072 H 1 ADP 0.0648
41
+ 29 H2 99.3445 39.2999 105.6516 H 1 ADP 0.0648
42
+ 30 H3 98.0689 37.7441 104.4347 H 1 ADP 0.0651
43
+ 31 H4 97.3017 40.5257 103.4569 H 1 ADP 0.0648
44
+ 32 H5 99.4310 39.7301 102.9534 H 1 ADP 0.2100
45
+ 33 H6 95.8551 39.4719 101.8511 H 1 ADP 0.0676
46
+ 34 H7 95.9495 37.1677 101.5439 H 1 ADP 0.2101
47
+ 35 H8 94.8906 37.5415 103.5953 H 1 ADP 0.0996
48
+ 36 H9 95.0264 40.5497 105.7485 H 1 ADP 0.1349
49
+ 37 H10 89.7933 42.5742 102.8886 H 1 ADP 0.1820
50
+ 38 H11 90.9274 42.7779 104.2506 H 1 ADP 0.1820
51
+ 39 H12 91.4732 39.0516 100.4463 H 1 ADP 0.0996
52
+ @<TRIPOS>BOND
53
+ 1 1 2 ar
54
+ 2 1 3 ar
55
+ 3 1 4 ar
56
+ 4 8 1 1
57
+ 5 5 6 ar
58
+ 6 5 7 ar
59
+ 7 5 8 1
60
+ 8 5 9 1
61
+ 9 9 10 1
62
+ 10 10 11 1
63
+ 11 11 12 1
64
+ 12 11 13 1
65
+ 13 12 17 1
66
+ 14 13 14 1
67
+ 15 13 15 1
68
+ 16 15 16 1
69
+ 17 15 17 1
70
+ 18 17 18 1
71
+ 19 18 19 1
72
+ 20 18 27 1
73
+ 21 19 20 2
74
+ 22 20 21 1
75
+ 23 21 22 ar
76
+ 24 21 27 ar
77
+ 25 22 23 1
78
+ 26 22 24 ar
79
+ 27 24 25 ar
80
+ 28 25 26 ar
81
+ 29 26 27 ar
82
+ 30 10 28 1
83
+ 31 10 29 1
84
+ 32 11 30 1
85
+ 33 13 31 1
86
+ 34 14 32 1
87
+ 35 15 33 1
88
+ 36 16 34 1
89
+ 37 17 35 1
90
+ 38 19 36 1
91
+ 39 23 37 1
92
+ 40 23 38 1
93
+ 41 25 39 1
94
+ @<TRIPOS>SUBSTRUCTURE
95
+ 1 ADP 1
96
+
6cjj/6cjj_ligand.sdf ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6cjj_ligand
2
+ -I-interpret-
3
+
4
+ 42 44 0 0 0 0 0 0 0 0999 V2000
5
+ 100.3410 42.3370 104.0140 P 0 0 0 0 0
6
+ 100.3760 41.0690 103.2030 O 0 0 0 0 0
7
+ 101.6450 43.1280 104.0510 O 0 0 0 0 0
8
+ 99.1200 43.1910 103.7150 O 0 0 0 0 0
9
+ 98.9070 41.8180 106.4760 P 0 0 0 0 0
10
+ 98.2980 43.1930 106.4900 O 0 0 0 0 0
11
+ 99.2800 41.1930 107.8000 O 0 0 0 0 0
12
+ 100.2150 41.7600 105.5240 O 0 0 0 0 0
13
+ 97.9130 40.7890 105.7450 O 0 0 0 0 0
14
+ 98.2550 39.4090 105.7570 C 0 0 0 0 0
15
+ 97.5590 38.7050 104.5980 C 0 0 0 0 0
16
+ 96.1820 38.4830 104.9400 O 0 0 0 0 0
17
+ 97.5060 39.4610 103.2710 C 0 0 0 0 0
18
+ 98.6960 39.3740 102.4680 O 0 0 0 0 0
19
+ 96.3190 38.8020 102.5900 C 0 0 0 0 0
20
+ 96.7070 37.5600 101.9620 O 0 0 0 0 0
21
+ 95.3860 38.5110 103.7520 C 0 0 0 0 0
22
+ 94.3630 39.5710 103.9240 N 0 0 0 0 0
23
+ 94.3010 40.4720 104.9400 C 0 0 0 0 0
24
+ 93.2050 41.2610 104.8020 N 0 0 0 0 0
25
+ 92.5680 40.8460 103.6790 C 0 0 0 0 0
26
+ 91.3680 41.2490 102.9440 C 0 0 0 0 0
27
+ 90.6400 42.2800 103.3960 N 0 0 0 0 0
28
+ 91.0370 40.5650 101.8310 N 0 0 0 0 0
29
+ 91.7870 39.5470 101.3580 C 0 0 0 0 0
30
+ 92.9120 39.1190 101.9720 N 0 0 0 0 0
31
+ 93.3290 39.7310 103.1130 C 0 0 0 0 0
32
+ 101.5258 43.9144 104.5885 H 0 0 0 0 0
33
+ 99.1454 43.9840 104.2555 H 0 0 0 0 0
34
+ 99.6551 40.3226 107.6473 H 0 0 0 0 0
35
+ 97.9353 38.9629 106.6987 H 0 0 0 0 0
36
+ 99.3346 39.3006 105.6533 H 0 0 0 0 0
37
+ 98.1599 37.8074 104.4523 H 0 0 0 0 0
38
+ 97.4183 40.5370 103.4215 H 0 0 0 0 0
39
+ 98.5721 39.8757 101.6590 H 0 0 0 0 0
40
+ 95.8815 39.4221 101.8076 H 0 0 0 0 0
41
+ 95.9415 37.1636 101.5395 H 0 0 0 0 0
42
+ 94.8743 37.5681 103.5593 H 0 0 0 0 0
43
+ 95.0271 40.5498 105.7493 H 0 0 0 0 0
44
+ 90.9246 42.7731 104.2423 H 0 0 0 0 0
45
+ 89.8015 42.5714 102.8936 H 0 0 0 0 0
46
+ 91.4714 39.0489 100.4413 H 0 0 0 0 0
47
+ 1 2 2 0 0 0
48
+ 1 3 1 0 0 0
49
+ 1 4 1 0 0 0
50
+ 8 1 1 0 0 0
51
+ 5 6 2 0 0 0
52
+ 5 7 1 0 0 0
53
+ 5 8 1 0 0 0
54
+ 5 9 1 0 0 0
55
+ 9 10 1 0 0 0
56
+ 10 11 1 0 0 0
57
+ 11 12 1 0 0 0
58
+ 11 13 1 0 0 0
59
+ 12 17 1 0 0 0
60
+ 13 14 1 0 0 0
61
+ 13 15 1 0 0 0
62
+ 15 16 1 0 0 0
63
+ 15 17 1 0 0 0
64
+ 17 18 1 0 0 0
65
+ 18 19 4 0 0 0
66
+ 18 27 4 0 0 0
67
+ 19 20 4 0 0 0
68
+ 20 21 4 0 0 0
69
+ 21 22 4 0 0 0
70
+ 21 27 4 0 0 0
71
+ 22 23 1 0 0 0
72
+ 22 24 4 0 0 0
73
+ 24 25 4 0 0 0
74
+ 25 26 4 0 0 0
75
+ 26 27 4 0 0 0
76
+ 3 28 1 0 0 0
77
+ 4 29 1 0 0 0
78
+ 7 30 1 0 0 0
79
+ 10 31 1 0 0 0
80
+ 10 32 1 0 0 0
81
+ 11 33 1 0 0 0
82
+ 13 34 1 0 0 0
83
+ 14 35 1 0 0 0
84
+ 15 36 1 0 0 0
85
+ 16 37 1 0 0 0
86
+ 17 38 1 0 0 0
87
+ 19 39 1 0 0 0
88
+ 23 40 1 0 0 0
89
+ 23 41 1 0 0 0
90
+ 25 42 1 0 0 0
91
+ M END
92
+ $$$$