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THU-ATOM
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PDBbind

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linbc20 commited on
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898ca50
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1 Parent(s): ee85dbf

Add batch 18

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This view is limited to 50 files because it contains too many changes.   See raw diff
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  1. 1dgm/1dgm_ligand.mol2 +82 -0
  2. 1dgm/1dgm_ligand.sdf +72 -0
  3. 1dgm/1dgm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1dgm/1dgm_protein_processed_fix.pdb +0 -0
  5. 1dmb/1dmb_ligand.mol2 +317 -0
  6. 1dmb/1dmb_ligand.sdf +307 -0
  7. 1dmb/1dmb_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1dmb/1dmb_protein_processed_fix.pdb +0 -0
  9. 1ele/1ele_ligand.mol2 +112 -0
  10. 1ele/1ele_ligand.sdf +102 -0
  11. 1ele/1ele_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1ele/1ele_protein_processed_fix.pdb +0 -0
  13. 1fm9/1fm9_ligand.mol2 +160 -0
  14. 1fm9/1fm9_ligand.sdf +152 -0
  15. 1fm9/1fm9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1fm9/1fm9_protein_processed_fix.pdb +0 -0
  17. 1j80/1j80_ligand.mol2 +499 -0
  18. 1j80/1j80_ligand.sdf +491 -0
  19. 1j80/1j80_protein_esmfold_aligned_tr_fix.pdb +794 -0
  20. 1j80/1j80_protein_processed_fix.pdb +0 -0
  21. 1tpw/1tpw_ligand.mol2 +43 -0
  22. 1tpw/1tpw_ligand.sdf +37 -0
  23. 1tpw/1tpw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1tpw/1tpw_protein_processed_fix.pdb +0 -0
  25. 1uwf/1uwf_ligand.mol2 +88 -0
  26. 1uwf/1uwf_ligand.sdf +78 -0
  27. 1uwf/1uwf_protein_esmfold_aligned_tr_fix.pdb +1201 -0
  28. 1uwf/1uwf_protein_processed_fix.pdb +0 -0
  29. 2azb/2azb_ligand.mol2 +149 -0
  30. 2azb/2azb_ligand.sdf +139 -0
  31. 2azb/2azb_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 2azb/2azb_protein_processed_fix.pdb +0 -0
  33. 2b54/2b54_ligand.mol2 +109 -0
  34. 2b54/2b54_ligand.sdf +99 -0
  35. 2b54/2b54_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 2b54/2b54_protein_processed_fix.pdb +0 -0
  37. 2c6l/2c6l_ligand.mol2 +123 -0
  38. 2c6l/2c6l_ligand.sdf +111 -0
  39. 2c6l/2c6l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2c6l/2c6l_protein_processed_fix.pdb +0 -0
  41. 2e91/2e91_ligand.mol2 +60 -0
  42. 2e91/2e91_ligand.sdf +58 -0
  43. 2e91/2e91_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2e91/2e91_protein_processed_fix.pdb +0 -0
  45. 2eh8/2eh8_ligand.mol2 +315 -0
  46. 2eh8/2eh8_ligand.sdf +309 -0
  47. 2eh8/2eh8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2eh8/2eh8_protein_processed_fix.pdb +0 -0
  49. 2gnh/2gnh_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2gnh/2gnh_protein_processed_fix.pdb +0 -0
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1dgm/1dgm_ligand.sdf ADDED
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+ $$$$
1dgm/1dgm_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1dgm/1dgm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1dmb/1dmb_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+ @<TRIPOS>MOLECULE
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1ele/1ele_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ele/1ele_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fm9/1fm9_ligand.mol2 ADDED
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The diff for this file is too large to render. See raw diff
 
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+ $$$$
1j80/1j80_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,794 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ASN A 1 -30.279 -9.061 -1.754 1.00 0.00 N
3
+ ATOM 2 CA ASN A 1 -28.839 -9.250 -1.887 1.00 0.00 C
4
+ ATOM 3 C ASN A 1 -28.103 -8.881 -0.602 1.00 0.00 C
5
+ ATOM 4 CB ASN A 1 -28.297 -8.434 -3.063 1.00 0.00 C
6
+ ATOM 5 O ASN A 1 -28.108 -7.720 -0.192 1.00 0.00 O
7
+ ATOM 6 CG ASN A 1 -26.828 -8.703 -3.332 1.00 0.00 C
8
+ ATOM 7 ND2 ASN A 1 -26.368 -8.336 -4.522 1.00 0.00 N
9
+ ATOM 8 OD1 ASN A 1 -26.116 -9.236 -2.478 1.00 0.00 O
10
+ ATOM 9 N TYR A 2 -27.686 -9.892 0.239 1.00 0.00 N
11
+ ATOM 10 CA TYR A 2 -27.071 -9.744 1.553 1.00 0.00 C
12
+ ATOM 11 C TYR A 2 -26.083 -8.584 1.566 1.00 0.00 C
13
+ ATOM 12 CB TYR A 2 -26.362 -11.038 1.964 1.00 0.00 C
14
+ ATOM 13 O TYR A 2 -26.124 -7.736 2.460 1.00 0.00 O
15
+ ATOM 14 CG TYR A 2 -25.660 -10.949 3.297 1.00 0.00 C
16
+ ATOM 15 CD1 TYR A 2 -26.340 -11.216 4.483 1.00 0.00 C
17
+ ATOM 16 CD2 TYR A 2 -24.317 -10.597 3.373 1.00 0.00 C
18
+ ATOM 17 CE1 TYR A 2 -25.696 -11.133 5.714 1.00 0.00 C
19
+ ATOM 18 CE2 TYR A 2 -23.664 -10.511 4.599 1.00 0.00 C
20
+ ATOM 19 OH TYR A 2 -23.720 -10.697 6.978 1.00 0.00 O
21
+ ATOM 20 CZ TYR A 2 -24.361 -10.780 5.761 1.00 0.00 C
22
+ ATOM 21 N CYS A 3 -25.190 -8.547 0.634 1.00 0.00 N
23
+ ATOM 22 CA CYS A 3 -24.138 -7.537 0.621 1.00 0.00 C
24
+ ATOM 23 C CYS A 3 -24.728 -6.137 0.505 1.00 0.00 C
25
+ ATOM 24 CB CYS A 3 -23.167 -7.789 -0.532 1.00 0.00 C
26
+ ATOM 25 O CYS A 3 -24.319 -5.224 1.226 1.00 0.00 O
27
+ ATOM 26 SG CYS A 3 -22.030 -9.161 -0.238 1.00 0.00 S
28
+ ATOM 27 N ASN A 4 -25.685 -5.895 -0.467 1.00 0.00 N
29
+ ATOM 28 CA ASN A 4 -26.279 -4.572 -0.626 1.00 0.00 C
30
+ ATOM 29 C ASN A 4 -26.938 -4.094 0.665 1.00 0.00 C
31
+ ATOM 30 CB ASN A 4 -27.293 -4.572 -1.772 1.00 0.00 C
32
+ ATOM 31 O ASN A 4 -26.849 -2.915 1.014 1.00 0.00 O
33
+ ATOM 32 CG ASN A 4 -26.637 -4.706 -3.132 1.00 0.00 C
34
+ ATOM 33 ND2 ASN A 4 -27.408 -5.138 -4.123 1.00 0.00 N
35
+ ATOM 34 OD1 ASN A 4 -25.446 -4.424 -3.291 1.00 0.00 O
36
+ ATOM 35 N GLN A 5 -27.576 -4.996 1.381 1.00 0.00 N
37
+ ATOM 36 CA GLN A 5 -28.263 -4.664 2.625 1.00 0.00 C
38
+ ATOM 37 C GLN A 5 -27.267 -4.412 3.753 1.00 0.00 C
39
+ ATOM 38 CB GLN A 5 -29.232 -5.781 3.017 1.00 0.00 C
40
+ ATOM 39 O GLN A 5 -27.354 -3.400 4.450 1.00 0.00 O
41
+ ATOM 40 CG GLN A 5 -30.433 -5.908 2.091 1.00 0.00 C
42
+ ATOM 41 CD GLN A 5 -31.374 -7.026 2.499 1.00 0.00 C
43
+ ATOM 42 NE2 GLN A 5 -32.366 -7.302 1.659 1.00 0.00 N
44
+ ATOM 43 OE1 GLN A 5 -31.209 -7.638 3.559 1.00 0.00 O
45
+ ATOM 44 N MET A 6 -26.313 -5.288 3.877 1.00 0.00 N
46
+ ATOM 45 CA MET A 6 -25.439 -5.223 5.046 1.00 0.00 C
47
+ ATOM 46 C MET A 6 -24.404 -4.113 4.889 1.00 0.00 C
48
+ ATOM 47 CB MET A 6 -24.738 -6.563 5.269 1.00 0.00 C
49
+ ATOM 48 O MET A 6 -24.003 -3.490 5.873 1.00 0.00 O
50
+ ATOM 49 CG MET A 6 -25.658 -7.656 5.790 1.00 0.00 C
51
+ ATOM 50 SD MET A 6 -26.421 -7.223 7.401 1.00 0.00 S
52
+ ATOM 51 CE MET A 6 -24.972 -7.346 8.486 1.00 0.00 C
53
+ ATOM 52 N MET A 7 -23.925 -3.924 3.584 1.00 0.00 N
54
+ ATOM 53 CA MET A 7 -23.008 -2.807 3.372 1.00 0.00 C
55
+ ATOM 54 C MET A 7 -23.645 -1.491 3.807 1.00 0.00 C
56
+ ATOM 55 CB MET A 7 -22.590 -2.725 1.903 1.00 0.00 C
57
+ ATOM 56 O MET A 7 -22.999 -0.673 4.465 1.00 0.00 O
58
+ ATOM 57 CG MET A 7 -21.856 -3.960 1.405 1.00 0.00 C
59
+ ATOM 58 SD MET A 7 -20.175 -4.116 2.121 1.00 0.00 S
60
+ ATOM 59 CE MET A 7 -19.284 -2.896 1.117 1.00 0.00 C
61
+ ATOM 60 N LYS A 8 -24.905 -1.291 3.508 1.00 0.00 N
62
+ ATOM 61 CA LYS A 8 -25.642 -0.086 3.879 1.00 0.00 C
63
+ ATOM 62 C LYS A 8 -25.924 -0.055 5.379 1.00 0.00 C
64
+ ATOM 63 CB LYS A 8 -26.953 0.004 3.098 1.00 0.00 C
65
+ ATOM 64 O LYS A 8 -25.689 0.959 6.040 1.00 0.00 O
66
+ ATOM 65 CG LYS A 8 -27.700 1.316 3.291 1.00 0.00 C
67
+ ATOM 66 CD LYS A 8 -28.937 1.390 2.405 1.00 0.00 C
68
+ ATOM 67 CE LYS A 8 -29.690 2.700 2.603 1.00 0.00 C
69
+ ATOM 68 NZ LYS A 8 -30.895 2.784 1.724 1.00 0.00 N
70
+ ATOM 69 N SER A 9 -26.362 -1.128 6.002 1.00 0.00 N
71
+ ATOM 70 CA SER A 9 -26.750 -1.193 7.407 1.00 0.00 C
72
+ ATOM 71 C SER A 9 -25.549 -0.977 8.322 1.00 0.00 C
73
+ ATOM 72 CB SER A 9 -27.405 -2.539 7.721 1.00 0.00 C
74
+ ATOM 73 O SER A 9 -25.693 -0.459 9.432 1.00 0.00 O
75
+ ATOM 74 OG SER A 9 -26.443 -3.579 7.724 1.00 0.00 O
76
+ ATOM 75 N ARG A 10 -24.351 -1.348 7.843 1.00 0.00 N
77
+ ATOM 76 CA ARG A 10 -23.138 -1.190 8.640 1.00 0.00 C
78
+ ATOM 77 C ARG A 10 -22.427 0.116 8.301 1.00 0.00 C
79
+ ATOM 78 CB ARG A 10 -22.193 -2.374 8.421 1.00 0.00 C
80
+ ATOM 79 O ARG A 10 -21.282 0.327 8.704 1.00 0.00 O
81
+ ATOM 80 CG ARG A 10 -22.742 -3.700 8.919 1.00 0.00 C
82
+ ATOM 81 CD ARG A 10 -22.828 -3.741 10.438 1.00 0.00 C
83
+ ATOM 82 NE ARG A 10 -23.258 -5.051 10.920 1.00 0.00 N
84
+ ATOM 83 NH1 ARG A 10 -22.177 -4.888 12.955 1.00 0.00 N
85
+ ATOM 84 NH2 ARG A 10 -23.384 -6.768 12.440 1.00 0.00 N
86
+ ATOM 85 CZ ARG A 10 -22.938 -5.566 12.104 1.00 0.00 C
87
+ ATOM 86 N ASN A 11 -23.133 0.991 7.560 1.00 0.00 N
88
+ ATOM 87 CA ASN A 11 -22.655 2.328 7.225 1.00 0.00 C
89
+ ATOM 88 C ASN A 11 -21.332 2.276 6.467 1.00 0.00 C
90
+ ATOM 89 CB ASN A 11 -22.508 3.178 8.490 1.00 0.00 C
91
+ ATOM 90 O ASN A 11 -20.477 3.148 6.638 1.00 0.00 O
92
+ ATOM 91 CG ASN A 11 -23.844 3.609 9.061 1.00 0.00 C
93
+ ATOM 92 ND2 ASN A 11 -23.945 3.624 10.385 1.00 0.00 N
94
+ ATOM 93 OD1 ASN A 11 -24.778 3.925 8.320 1.00 0.00 O
95
+ ATOM 94 N LEU A 12 -21.089 1.251 5.644 1.00 0.00 N
96
+ ATOM 95 CA LEU A 12 -19.858 1.107 4.875 1.00 0.00 C
97
+ ATOM 96 C LEU A 12 -19.970 1.824 3.533 1.00 0.00 C
98
+ ATOM 97 CB LEU A 12 -19.534 -0.371 4.651 1.00 0.00 C
99
+ ATOM 98 O LEU A 12 -18.995 1.900 2.781 1.00 0.00 O
100
+ ATOM 99 CG LEU A 12 -19.331 -1.219 5.908 1.00 0.00 C
101
+ ATOM 100 CD1 LEU A 12 -19.131 -2.684 5.534 1.00 0.00 C
102
+ ATOM 101 CD2 LEU A 12 -18.146 -0.701 6.716 1.00 0.00 C
103
+ ATOM 102 N THR A 13 -21.130 2.417 3.267 1.00 0.00 N
104
+ ATOM 103 CA THR A 13 -21.381 3.121 2.014 1.00 0.00 C
105
+ ATOM 104 C THR A 13 -21.825 4.557 2.279 1.00 0.00 C
106
+ ATOM 105 CB THR A 13 -22.449 2.398 1.171 1.00 0.00 C
107
+ ATOM 106 O THR A 13 -22.471 5.179 1.434 1.00 0.00 O
108
+ ATOM 107 CG2 THR A 13 -21.994 0.992 0.797 1.00 0.00 C
109
+ ATOM 108 OG1 THR A 13 -23.664 2.310 1.925 1.00 0.00 O
110
+ ATOM 109 N LYS A 14 -21.623 5.069 3.483 1.00 0.00 N
111
+ ATOM 110 CA LYS A 14 -22.103 6.389 3.882 1.00 0.00 C
112
+ ATOM 111 C LYS A 14 -21.474 7.485 3.026 1.00 0.00 C
113
+ ATOM 112 CB LYS A 14 -21.808 6.644 5.360 1.00 0.00 C
114
+ ATOM 113 O LYS A 14 -22.163 8.408 2.587 1.00 0.00 O
115
+ ATOM 114 CG LYS A 14 -22.399 7.939 5.896 1.00 0.00 C
116
+ ATOM 115 CD LYS A 14 -22.080 8.131 7.373 1.00 0.00 C
117
+ ATOM 116 CE LYS A 14 -22.568 9.482 7.881 1.00 0.00 C
118
+ ATOM 117 NZ LYS A 14 -22.222 9.690 9.319 1.00 0.00 N
119
+ ATOM 118 N ASP A 15 -20.243 7.517 2.621 1.00 0.00 N
120
+ ATOM 119 CA ASP A 15 -19.553 8.577 1.893 1.00 0.00 C
121
+ ATOM 120 C ASP A 15 -19.174 8.122 0.485 1.00 0.00 C
122
+ ATOM 121 CB ASP A 15 -18.304 9.027 2.655 1.00 0.00 C
123
+ ATOM 122 O ASP A 15 -19.137 8.929 -0.446 1.00 0.00 O
124
+ ATOM 123 CG ASP A 15 -18.625 9.680 3.987 1.00 0.00 C
125
+ ATOM 124 OD1 ASP A 15 -19.548 10.520 4.048 1.00 0.00 O
126
+ ATOM 125 OD2 ASP A 15 -17.947 9.354 4.985 1.00 0.00 O
127
+ ATOM 126 N ARG A 16 -18.915 6.956 0.263 1.00 0.00 N
128
+ ATOM 127 CA ARG A 16 -18.531 6.337 -1.002 1.00 0.00 C
129
+ ATOM 128 C ARG A 16 -18.857 4.848 -1.005 1.00 0.00 C
130
+ ATOM 129 CB ARG A 16 -17.039 6.547 -1.272 1.00 0.00 C
131
+ ATOM 130 O ARG A 16 -19.139 4.266 0.045 1.00 0.00 O
132
+ ATOM 131 CG ARG A 16 -16.128 5.838 -0.281 1.00 0.00 C
133
+ ATOM 132 CD ARG A 16 -14.659 6.118 -0.566 1.00 0.00 C
134
+ ATOM 133 NE ARG A 16 -13.787 5.432 0.383 1.00 0.00 N
135
+ ATOM 134 NH1 ARG A 16 -11.847 5.803 -0.816 1.00 0.00 N
136
+ ATOM 135 NH2 ARG A 16 -11.773 4.655 1.167 1.00 0.00 N
137
+ ATOM 136 CZ ARG A 16 -12.470 5.299 0.242 1.00 0.00 C
138
+ ATOM 137 N CYS A 17 -18.880 4.325 -2.107 1.00 0.00 N
139
+ ATOM 138 CA CYS A 17 -19.036 2.877 -2.196 1.00 0.00 C
140
+ ATOM 139 C CYS A 17 -17.743 2.165 -1.816 1.00 0.00 C
141
+ ATOM 140 CB CYS A 17 -19.457 2.470 -3.607 1.00 0.00 C
142
+ ATOM 141 O CYS A 17 -16.720 2.331 -2.482 1.00 0.00 O
143
+ ATOM 142 SG CYS A 17 -21.025 3.193 -4.136 1.00 0.00 S
144
+ ATOM 143 N LYS A 18 -17.741 1.385 -0.724 1.00 0.00 N
145
+ ATOM 144 CA LYS A 18 -16.578 0.585 -0.349 1.00 0.00 C
146
+ ATOM 145 C LYS A 18 -16.342 -0.543 -1.350 1.00 0.00 C
147
+ ATOM 146 CB LYS A 18 -16.753 0.010 1.057 1.00 0.00 C
148
+ ATOM 147 O LYS A 18 -17.221 -1.378 -1.571 1.00 0.00 O
149
+ ATOM 148 CG LYS A 18 -15.517 -0.699 1.594 1.00 0.00 C
150
+ ATOM 149 CD LYS A 18 -15.689 -1.091 3.056 1.00 0.00 C
151
+ ATOM 150 CE LYS A 18 -14.455 -1.803 3.593 1.00 0.00 C
152
+ ATOM 151 NZ LYS A 18 -14.363 -1.706 5.080 1.00 0.00 N
153
+ ATOM 152 N PRO A 19 -15.208 -0.606 -1.942 1.00 0.00 N
154
+ ATOM 153 CA PRO A 19 -15.004 -1.551 -3.043 1.00 0.00 C
155
+ ATOM 154 C PRO A 19 -15.123 -3.007 -2.602 1.00 0.00 C
156
+ ATOM 155 CB PRO A 19 -13.583 -1.238 -3.517 1.00 0.00 C
157
+ ATOM 156 O PRO A 19 -15.627 -3.845 -3.353 1.00 0.00 O
158
+ ATOM 157 CG PRO A 19 -13.366 0.196 -3.158 1.00 0.00 C
159
+ ATOM 158 CD PRO A 19 -14.146 0.498 -1.910 1.00 0.00 C
160
+ ATOM 159 N VAL A 20 -14.647 -3.289 -1.349 1.00 0.00 N
161
+ ATOM 160 CA VAL A 20 -14.665 -4.678 -0.900 1.00 0.00 C
162
+ ATOM 161 C VAL A 20 -14.848 -4.728 0.615 1.00 0.00 C
163
+ ATOM 162 CB VAL A 20 -13.375 -5.422 -1.307 1.00 0.00 C
164
+ ATOM 163 O VAL A 20 -14.324 -3.878 1.339 1.00 0.00 O
165
+ ATOM 164 CG1 VAL A 20 -13.387 -6.854 -0.775 1.00 0.00 C
166
+ ATOM 165 CG2 VAL A 20 -13.211 -5.415 -2.825 1.00 0.00 C
167
+ ATOM 166 N ASN A 21 -15.580 -5.756 1.077 1.00 0.00 N
168
+ ATOM 167 CA ASN A 21 -15.715 -6.073 2.496 1.00 0.00 C
169
+ ATOM 168 C ASN A 21 -16.012 -7.553 2.715 1.00 0.00 C
170
+ ATOM 169 CB ASN A 21 -16.807 -5.212 3.136 1.00 0.00 C
171
+ ATOM 170 O ASN A 21 -16.649 -8.194 1.876 1.00 0.00 O
172
+ ATOM 171 CG ASN A 21 -16.762 -5.246 4.651 1.00 0.00 C
173
+ ATOM 172 ND2 ASN A 21 -17.663 -6.015 5.253 1.00 0.00 N
174
+ ATOM 173 OD1 ASN A 21 -15.928 -4.586 5.275 1.00 0.00 O
175
+ ATOM 174 N THR A 22 -15.476 -8.070 3.740 1.00 0.00 N
176
+ ATOM 175 CA THR A 22 -15.767 -9.443 4.138 1.00 0.00 C
177
+ ATOM 176 C THR A 22 -16.520 -9.473 5.465 1.00 0.00 C
178
+ ATOM 177 CB THR A 22 -14.477 -10.275 4.258 1.00 0.00 C
179
+ ATOM 178 O THR A 22 -16.093 -8.852 6.441 1.00 0.00 O
180
+ ATOM 179 CG2 THR A 22 -14.788 -11.718 4.646 1.00 0.00 C
181
+ ATOM 180 OG1 THR A 22 -13.792 -10.268 2.999 1.00 0.00 O
182
+ ATOM 181 N PHE A 23 -17.643 -10.096 5.518 1.00 0.00 N
183
+ ATOM 182 CA PHE A 23 -18.385 -10.352 6.747 1.00 0.00 C
184
+ ATOM 183 C PHE A 23 -18.102 -11.756 7.267 1.00 0.00 C
185
+ ATOM 184 CB PHE A 23 -19.888 -10.169 6.517 1.00 0.00 C
186
+ ATOM 185 O PHE A 23 -18.228 -12.735 6.527 1.00 0.00 O
187
+ ATOM 186 CG PHE A 23 -20.286 -8.751 6.206 1.00 0.00 C
188
+ ATOM 187 CD1 PHE A 23 -20.502 -7.836 7.228 1.00 0.00 C
189
+ ATOM 188 CD2 PHE A 23 -20.445 -8.336 4.890 1.00 0.00 C
190
+ ATOM 189 CE1 PHE A 23 -20.872 -6.523 6.942 1.00 0.00 C
191
+ ATOM 190 CE2 PHE A 23 -20.813 -7.026 4.598 1.00 0.00 C
192
+ ATOM 191 CZ PHE A 23 -21.028 -6.122 5.625 1.00 0.00 C
193
+ ATOM 192 N VAL A 24 -17.620 -11.827 8.483 1.00 0.00 N
194
+ ATOM 193 CA VAL A 24 -17.426 -13.103 9.165 1.00 0.00 C
195
+ ATOM 194 C VAL A 24 -18.638 -13.410 10.042 1.00 0.00 C
196
+ ATOM 195 CB VAL A 24 -16.138 -13.100 10.019 1.00 0.00 C
197
+ ATOM 196 O VAL A 24 -19.034 -12.590 10.875 1.00 0.00 O
198
+ ATOM 197 CG1 VAL A 24 -15.936 -14.455 10.695 1.00 0.00 C
199
+ ATOM 198 CG2 VAL A 24 -14.929 -12.743 9.157 1.00 0.00 C
200
+ ATOM 199 N HIS A 25 -19.270 -14.555 9.891 1.00 0.00 N
201
+ ATOM 200 CA HIS A 25 -20.572 -14.826 10.490 1.00 0.00 C
202
+ ATOM 201 C HIS A 25 -20.426 -15.570 11.814 1.00 0.00 C
203
+ ATOM 202 CB HIS A 25 -21.446 -15.634 9.528 1.00 0.00 C
204
+ ATOM 203 O HIS A 25 -21.421 -15.852 12.485 1.00 0.00 O
205
+ ATOM 204 CG HIS A 25 -21.781 -14.906 8.265 1.00 0.00 C
206
+ ATOM 205 CD2 HIS A 25 -21.334 -15.072 6.998 1.00 0.00 C
207
+ ATOM 206 ND1 HIS A 25 -22.677 -13.860 8.224 1.00 0.00 N
208
+ ATOM 207 CE1 HIS A 25 -22.768 -13.415 6.983 1.00 0.00 C
209
+ ATOM 208 NE2 HIS A 25 -21.963 -14.133 6.219 1.00 0.00 N
210
+ ATOM 209 N GLU A 26 -19.213 -15.825 12.206 1.00 0.00 N
211
+ ATOM 210 CA GLU A 26 -18.947 -16.476 13.485 1.00 0.00 C
212
+ ATOM 211 C GLU A 26 -19.088 -15.494 14.645 1.00 0.00 C
213
+ ATOM 212 CB GLU A 26 -17.549 -17.100 13.492 1.00 0.00 C
214
+ ATOM 213 O GLU A 26 -19.085 -14.279 14.440 1.00 0.00 O
215
+ ATOM 214 CG GLU A 26 -17.344 -18.162 12.421 1.00 0.00 C
216
+ ATOM 215 CD GLU A 26 -18.275 -19.355 12.573 1.00 0.00 C
217
+ ATOM 216 OE1 GLU A 26 -18.767 -19.601 13.698 1.00 0.00 O
218
+ ATOM 217 OE2 GLU A 26 -18.513 -20.049 11.560 1.00 0.00 O
219
+ ATOM 218 N SER A 27 -19.258 -16.076 15.829 1.00 0.00 N
220
+ ATOM 219 CA SER A 27 -19.344 -15.239 17.022 1.00 0.00 C
221
+ ATOM 220 C SER A 27 -18.045 -14.474 17.254 1.00 0.00 C
222
+ ATOM 221 CB SER A 27 -19.671 -16.089 18.250 1.00 0.00 C
223
+ ATOM 222 O SER A 27 -16.981 -14.895 16.797 1.00 0.00 O
224
+ ATOM 223 OG SER A 27 -18.557 -16.883 18.624 1.00 0.00 O
225
+ ATOM 224 N LEU A 28 -18.177 -13.384 17.864 1.00 0.00 N
226
+ ATOM 225 CA LEU A 28 -17.006 -12.591 18.221 1.00 0.00 C
227
+ ATOM 226 C LEU A 28 -16.005 -13.426 19.012 1.00 0.00 C
228
+ ATOM 227 CB LEU A 28 -17.417 -11.361 19.034 1.00 0.00 C
229
+ ATOM 228 O LEU A 28 -14.795 -13.322 18.796 1.00 0.00 O
230
+ ATOM 229 CG LEU A 28 -16.289 -10.418 19.457 1.00 0.00 C
231
+ ATOM 230 CD1 LEU A 28 -15.539 -9.906 18.232 1.00 0.00 C
232
+ ATOM 231 CD2 LEU A 28 -16.840 -9.257 20.278 1.00 0.00 C
233
+ ATOM 232 N ALA A 29 -16.515 -14.258 19.947 1.00 0.00 N
234
+ ATOM 233 CA ALA A 29 -15.641 -15.116 20.742 1.00 0.00 C
235
+ ATOM 234 C ALA A 29 -14.831 -16.050 19.850 1.00 0.00 C
236
+ ATOM 235 CB ALA A 29 -16.459 -15.922 21.749 1.00 0.00 C
237
+ ATOM 236 O ALA A 29 -13.640 -16.266 20.085 1.00 0.00 O
238
+ ATOM 237 N ASP A 30 -15.444 -16.596 18.854 1.00 0.00 N
239
+ ATOM 238 CA ASP A 30 -14.757 -17.502 17.939 1.00 0.00 C
240
+ ATOM 239 C ASP A 30 -13.702 -16.761 17.120 1.00 0.00 C
241
+ ATOM 240 CB ASP A 30 -15.760 -18.187 17.008 1.00 0.00 C
242
+ ATOM 241 O ASP A 30 -12.604 -17.275 16.901 1.00 0.00 O
243
+ ATOM 242 CG ASP A 30 -16.626 -19.211 17.720 1.00 0.00 C
244
+ ATOM 243 OD1 ASP A 30 -16.179 -19.787 18.736 1.00 0.00 O
245
+ ATOM 244 OD2 ASP A 30 -17.764 -19.447 17.260 1.00 0.00 O
246
+ ATOM 245 N VAL A 31 -14.059 -15.549 16.698 1.00 0.00 N
247
+ ATOM 246 CA VAL A 31 -13.107 -14.769 15.912 1.00 0.00 C
248
+ ATOM 247 C VAL A 31 -11.943 -14.330 16.797 1.00 0.00 C
249
+ ATOM 248 CB VAL A 31 -13.780 -13.537 15.266 1.00 0.00 C
250
+ ATOM 249 O VAL A 31 -10.785 -14.372 16.376 1.00 0.00 O
251
+ ATOM 250 CG1 VAL A 31 -12.744 -12.665 14.559 1.00 0.00 C
252
+ ATOM 251 CG2 VAL A 31 -14.870 -13.976 14.290 1.00 0.00 C
253
+ ATOM 252 N GLN A 32 -12.191 -13.976 18.024 1.00 0.00 N
254
+ ATOM 253 CA GLN A 32 -11.135 -13.584 18.952 1.00 0.00 C
255
+ ATOM 254 C GLN A 32 -10.203 -14.755 19.252 1.00 0.00 C
256
+ ATOM 255 CB GLN A 32 -11.735 -13.044 20.251 1.00 0.00 C
257
+ ATOM 256 O GLN A 32 -9.000 -14.564 19.443 1.00 0.00 O
258
+ ATOM 257 CG GLN A 32 -12.328 -11.647 20.121 1.00 0.00 C
259
+ ATOM 258 CD GLN A 32 -13.046 -11.195 21.379 1.00 0.00 C
260
+ ATOM 259 NE2 GLN A 32 -13.196 -9.884 21.538 1.00 0.00 N
261
+ ATOM 260 OE1 GLN A 32 -13.464 -12.017 22.201 1.00 0.00 O
262
+ ATOM 261 N ALA A 33 -10.776 -15.898 19.275 1.00 0.00 N
263
+ ATOM 262 CA ALA A 33 -9.989 -17.090 19.576 1.00 0.00 C
264
+ ATOM 263 C ALA A 33 -8.943 -17.346 18.494 1.00 0.00 C
265
+ ATOM 264 CB ALA A 33 -10.900 -18.306 19.728 1.00 0.00 C
266
+ ATOM 265 O ALA A 33 -7.972 -18.071 18.720 1.00 0.00 O
267
+ ATOM 266 N VAL A 34 -9.118 -16.775 17.295 1.00 0.00 N
268
+ ATOM 267 CA VAL A 34 -8.186 -16.976 16.190 1.00 0.00 C
269
+ ATOM 268 C VAL A 34 -6.807 -16.442 16.572 1.00 0.00 C
270
+ ATOM 269 CB VAL A 34 -8.684 -16.292 14.897 1.00 0.00 C
271
+ ATOM 270 O VAL A 34 -5.786 -16.971 16.128 1.00 0.00 O
272
+ ATOM 271 CG1 VAL A 34 -7.633 -16.393 13.793 1.00 0.00 C
273
+ ATOM 272 CG2 VAL A 34 -10.004 -16.911 14.441 1.00 0.00 C
274
+ ATOM 273 N CYS A 35 -6.749 -15.460 17.413 1.00 0.00 N
275
+ ATOM 274 CA CYS A 35 -5.510 -14.789 17.789 1.00 0.00 C
276
+ ATOM 275 C CYS A 35 -4.605 -15.720 18.587 1.00 0.00 C
277
+ ATOM 276 CB CYS A 35 -5.806 -13.530 18.603 1.00 0.00 C
278
+ ATOM 277 O CYS A 35 -3.439 -15.403 18.829 1.00 0.00 O
279
+ ATOM 278 SG CYS A 35 -6.428 -12.152 17.612 1.00 0.00 S
280
+ ATOM 279 N SER A 36 -5.023 -16.826 19.010 1.00 0.00 N
281
+ ATOM 280 CA SER A 36 -4.209 -17.805 19.723 1.00 0.00 C
282
+ ATOM 281 C SER A 36 -4.002 -19.066 18.890 1.00 0.00 C
283
+ ATOM 282 CB SER A 36 -4.854 -18.168 21.060 1.00 0.00 C
284
+ ATOM 283 O SER A 36 -3.676 -20.126 19.428 1.00 0.00 O
285
+ ATOM 284 OG SER A 36 -5.025 -17.015 21.866 1.00 0.00 O
286
+ ATOM 285 N GLN A 37 -4.234 -19.009 17.620 1.00 0.00 N
287
+ ATOM 286 CA GLN A 37 -4.129 -20.197 16.779 1.00 0.00 C
288
+ ATOM 287 C GLN A 37 -2.844 -20.176 15.957 1.00 0.00 C
289
+ ATOM 288 CB GLN A 37 -5.342 -20.308 15.855 1.00 0.00 C
290
+ ATOM 289 O GLN A 37 -1.752 -20.007 16.504 1.00 0.00 O
291
+ ATOM 290 CG GLN A 37 -6.660 -20.500 16.591 1.00 0.00 C
292
+ ATOM 291 CD GLN A 37 -7.832 -20.716 15.652 1.00 0.00 C
293
+ ATOM 292 NE2 GLN A 37 -9.045 -20.552 16.168 1.00 0.00 N
294
+ ATOM 293 OE1 GLN A 37 -7.649 -21.027 14.470 1.00 0.00 O
295
+ ATOM 294 N LYS A 38 -2.939 -20.394 14.587 1.00 0.00 N
296
+ ATOM 295 CA LYS A 38 -1.742 -20.522 13.762 1.00 0.00 C
297
+ ATOM 296 C LYS A 38 -1.186 -19.152 13.383 1.00 0.00 C
298
+ ATOM 297 CB LYS A 38 -2.044 -21.332 12.500 1.00 0.00 C
299
+ ATOM 298 O LYS A 38 -1.827 -18.397 12.649 1.00 0.00 O
300
+ ATOM 299 CG LYS A 38 -0.826 -21.595 11.627 1.00 0.00 C
301
+ ATOM 300 CD LYS A 38 -1.199 -22.363 10.365 1.00 0.00 C
302
+ ATOM 301 CE LYS A 38 -0.002 -22.534 9.439 1.00 0.00 C
303
+ ATOM 302 NZ LYS A 38 -0.372 -23.248 8.181 1.00 0.00 N
304
+ ATOM 303 N ASN A 39 -0.000 -18.889 13.878 1.00 0.00 N
305
+ ATOM 304 CA ASN A 39 0.676 -17.649 13.515 1.00 0.00 C
306
+ ATOM 305 C ASN A 39 1.184 -17.689 12.077 1.00 0.00 C
307
+ ATOM 306 CB ASN A 39 1.830 -17.364 14.478 1.00 0.00 C
308
+ ATOM 307 O ASN A 39 1.856 -18.641 11.677 1.00 0.00 O
309
+ ATOM 308 CG ASN A 39 2.468 -16.009 14.241 1.00 0.00 C
310
+ ATOM 309 ND2 ASN A 39 1.751 -14.947 14.589 1.00 0.00 N
311
+ ATOM 310 OD1 ASN A 39 3.594 -15.918 13.747 1.00 0.00 O
312
+ ATOM 311 N VAL A 40 0.886 -16.671 11.242 1.00 0.00 N
313
+ ATOM 312 CA VAL A 40 1.281 -16.576 9.840 1.00 0.00 C
314
+ ATOM 313 C VAL A 40 1.723 -15.150 9.524 1.00 0.00 C
315
+ ATOM 314 CB VAL A 40 0.133 -17.001 8.898 1.00 0.00 C
316
+ ATOM 315 O VAL A 40 1.431 -14.220 10.279 1.00 0.00 O
317
+ ATOM 316 CG1 VAL A 40 -0.277 -18.449 9.162 1.00 0.00 C
318
+ ATOM 317 CG2 VAL A 40 -1.063 -16.065 9.060 1.00 0.00 C
319
+ ATOM 318 N ALA A 41 2.437 -14.988 8.416 1.00 0.00 N
320
+ ATOM 319 CA ALA A 41 2.835 -13.658 7.962 1.00 0.00 C
321
+ ATOM 320 C ALA A 41 1.654 -12.910 7.350 1.00 0.00 C
322
+ ATOM 321 CB ALA A 41 3.976 -13.761 6.952 1.00 0.00 C
323
+ ATOM 322 O ALA A 41 0.887 -13.480 6.571 1.00 0.00 O
324
+ ATOM 323 N CYS A 42 1.498 -11.665 7.777 1.00 0.00 N
325
+ ATOM 324 CA CYS A 42 0.479 -10.812 7.177 1.00 0.00 C
326
+ ATOM 325 C CYS A 42 0.810 -10.508 5.721 1.00 0.00 C
327
+ ATOM 326 CB CYS A 42 0.340 -9.508 7.962 1.00 0.00 C
328
+ ATOM 327 O CYS A 42 1.955 -10.667 5.294 1.00 0.00 O
329
+ ATOM 328 SG CYS A 42 0.105 -9.748 9.736 1.00 0.00 S
330
+ ATOM 329 N LYS A 43 -0.232 -10.038 4.912 1.00 0.00 N
331
+ ATOM 330 CA LYS A 43 -0.026 -9.647 3.520 1.00 0.00 C
332
+ ATOM 331 C LYS A 43 1.029 -8.550 3.408 1.00 0.00 C
333
+ ATOM 332 CB LYS A 43 -1.339 -9.176 2.894 1.00 0.00 C
334
+ ATOM 333 O LYS A 43 1.776 -8.498 2.429 1.00 0.00 O
335
+ ATOM 334 CG LYS A 43 -2.289 -10.306 2.527 1.00 0.00 C
336
+ ATOM 335 CD LYS A 43 -3.520 -9.786 1.795 1.00 0.00 C
337
+ ATOM 336 CE LYS A 43 -4.464 -10.918 1.412 1.00 0.00 C
338
+ ATOM 337 NZ LYS A 43 -5.739 -10.403 0.829 1.00 0.00 N
339
+ ATOM 338 N ASN A 44 1.132 -7.668 4.454 1.00 0.00 N
340
+ ATOM 339 CA ASN A 44 2.082 -6.560 4.417 1.00 0.00 C
341
+ ATOM 340 C ASN A 44 3.430 -6.956 5.012 1.00 0.00 C
342
+ ATOM 341 CB ASN A 44 1.515 -5.343 5.151 1.00 0.00 C
343
+ ATOM 342 O ASN A 44 4.318 -6.116 5.163 1.00 0.00 O
344
+ ATOM 343 CG ASN A 44 1.275 -5.608 6.624 1.00 0.00 C
345
+ ATOM 344 ND2 ASN A 44 0.620 -4.669 7.296 1.00 0.00 N
346
+ ATOM 345 OD1 ASN A 44 1.676 -6.648 7.154 1.00 0.00 O
347
+ ATOM 346 N GLY A 45 3.542 -8.227 5.493 1.00 0.00 N
348
+ ATOM 347 CA GLY A 45 4.820 -8.716 5.984 1.00 0.00 C
349
+ ATOM 348 C GLY A 45 4.924 -8.697 7.498 1.00 0.00 C
350
+ ATOM 349 O GLY A 45 5.881 -9.227 8.066 1.00 0.00 O
351
+ ATOM 350 N GLN A 46 3.953 -8.112 8.175 1.00 0.00 N
352
+ ATOM 351 CA GLN A 46 3.945 -8.121 9.634 1.00 0.00 C
353
+ ATOM 352 C GLN A 46 3.768 -9.538 10.174 1.00 0.00 C
354
+ ATOM 353 CB GLN A 46 2.837 -7.212 10.171 1.00 0.00 C
355
+ ATOM 354 O GLN A 46 3.269 -10.418 9.470 1.00 0.00 O
356
+ ATOM 355 CG GLN A 46 3.016 -5.745 9.808 1.00 0.00 C
357
+ ATOM 356 CD GLN A 46 1.867 -4.877 10.288 1.00 0.00 C
358
+ ATOM 357 NE2 GLN A 46 2.196 -3.741 10.895 1.00 0.00 N
359
+ ATOM 358 OE1 GLN A 46 0.695 -5.225 10.115 1.00 0.00 O
360
+ ATOM 359 N THR A 47 4.176 -9.732 11.438 1.00 0.00 N
361
+ ATOM 360 CA THR A 47 4.223 -11.083 11.987 1.00 0.00 C
362
+ ATOM 361 C THR A 47 3.119 -11.283 13.022 1.00 0.00 C
363
+ ATOM 362 CB THR A 47 5.591 -11.378 12.630 1.00 0.00 C
364
+ ATOM 363 O THR A 47 3.154 -12.240 13.798 1.00 0.00 O
365
+ ATOM 364 CG2 THR A 47 6.712 -11.297 11.597 1.00 0.00 C
366
+ ATOM 365 OG1 THR A 47 5.842 -10.423 13.667 1.00 0.00 O
367
+ ATOM 366 N ASN A 48 2.181 -10.378 13.085 1.00 0.00 N
368
+ ATOM 367 CA ASN A 48 1.150 -10.492 14.110 1.00 0.00 C
369
+ ATOM 368 C ASN A 48 -0.169 -10.989 13.525 1.00 0.00 C
370
+ ATOM 369 CB ASN A 48 0.944 -9.152 14.819 1.00 0.00 C
371
+ ATOM 370 O ASN A 48 -1.243 -10.633 14.013 1.00 0.00 O
372
+ ATOM 371 CG ASN A 48 0.405 -8.079 13.894 1.00 0.00 C
373
+ ATOM 372 ND2 ASN A 48 -0.398 -7.174 14.440 1.00 0.00 N
374
+ ATOM 373 OD1 ASN A 48 0.706 -8.065 12.698 1.00 0.00 O
375
+ ATOM 374 N CYS A 49 -0.106 -11.804 12.457 1.00 0.00 N
376
+ ATOM 375 CA CYS A 49 -1.326 -12.352 11.873 1.00 0.00 C
377
+ ATOM 376 C CYS A 49 -1.497 -13.820 12.246 1.00 0.00 C
378
+ ATOM 377 CB CYS A 49 -1.309 -12.201 10.354 1.00 0.00 C
379
+ ATOM 378 O CYS A 49 -0.510 -14.541 12.411 1.00 0.00 O
380
+ ATOM 379 SG CYS A 49 -1.744 -10.543 9.782 1.00 0.00 S
381
+ ATOM 380 N TYR A 50 -2.726 -14.192 12.424 1.00 0.00 N
382
+ ATOM 381 CA TYR A 50 -3.083 -15.547 12.832 1.00 0.00 C
383
+ ATOM 382 C TYR A 50 -4.192 -16.107 11.949 1.00 0.00 C
384
+ ATOM 383 CB TYR A 50 -3.522 -15.569 14.298 1.00 0.00 C
385
+ ATOM 384 O TYR A 50 -5.119 -15.386 11.573 1.00 0.00 O
386
+ ATOM 385 CG TYR A 50 -2.441 -15.144 15.262 1.00 0.00 C
387
+ ATOM 386 CD1 TYR A 50 -1.710 -16.088 15.980 1.00 0.00 C
388
+ ATOM 387 CD2 TYR A 50 -2.148 -13.799 15.458 1.00 0.00 C
389
+ ATOM 388 CE1 TYR A 50 -0.714 -15.701 16.870 1.00 0.00 C
390
+ ATOM 389 CE2 TYR A 50 -1.154 -13.400 16.346 1.00 0.00 C
391
+ ATOM 390 OH TYR A 50 0.541 -13.969 17.926 1.00 0.00 O
392
+ ATOM 391 CZ TYR A 50 -0.444 -14.358 17.046 1.00 0.00 C
393
+ ATOM 392 N GLN A 51 -4.072 -17.349 11.624 1.00 0.00 N
394
+ ATOM 393 CA GLN A 51 -5.022 -18.072 10.786 1.00 0.00 C
395
+ ATOM 394 C GLN A 51 -5.868 -19.031 11.617 1.00 0.00 C
396
+ ATOM 395 CB GLN A 51 -4.290 -18.838 9.683 1.00 0.00 C
397
+ ATOM 396 O GLN A 51 -5.343 -19.758 12.464 1.00 0.00 O
398
+ ATOM 397 CG GLN A 51 -5.210 -19.657 8.789 1.00 0.00 C
399
+ ATOM 398 CD GLN A 51 -4.459 -20.427 7.720 1.00 0.00 C
400
+ ATOM 399 NE2 GLN A 51 -5.106 -21.439 7.151 1.00 0.00 N
401
+ ATOM 400 OE1 GLN A 51 -3.305 -20.116 7.407 1.00 0.00 O
402
+ ATOM 401 N SER A 52 -7.132 -19.025 11.365 1.00 0.00 N
403
+ ATOM 402 CA SER A 52 -8.033 -19.933 12.068 1.00 0.00 C
404
+ ATOM 403 C SER A 52 -7.728 -21.388 11.730 1.00 0.00 C
405
+ ATOM 404 CB SER A 52 -9.489 -19.615 11.725 1.00 0.00 C
406
+ ATOM 405 O SER A 52 -7.322 -21.699 10.608 1.00 0.00 O
407
+ ATOM 406 OG SER A 52 -9.752 -19.879 10.357 1.00 0.00 O
408
+ ATOM 407 N TYR A 53 -7.880 -22.280 12.719 1.00 0.00 N
409
+ ATOM 408 CA TYR A 53 -7.701 -23.712 12.509 1.00 0.00 C
410
+ ATOM 409 C TYR A 53 -8.842 -24.289 11.679 1.00 0.00 C
411
+ ATOM 410 CB TYR A 53 -7.611 -24.445 13.852 1.00 0.00 C
412
+ ATOM 411 O TYR A 53 -8.628 -25.180 10.853 1.00 0.00 O
413
+ ATOM 412 CG TYR A 53 -6.284 -24.272 14.550 1.00 0.00 C
414
+ ATOM 413 CD1 TYR A 53 -5.095 -24.224 13.827 1.00 0.00 C
415
+ ATOM 414 CD2 TYR A 53 -6.216 -24.156 15.935 1.00 0.00 C
416
+ ATOM 415 CE1 TYR A 53 -3.870 -24.066 14.465 1.00 0.00 C
417
+ ATOM 416 CE2 TYR A 53 -4.997 -23.998 16.584 1.00 0.00 C
418
+ ATOM 417 OH TYR A 53 -2.621 -23.798 16.480 1.00 0.00 O
419
+ ATOM 418 CZ TYR A 53 -3.831 -23.954 15.842 1.00 0.00 C
420
+ ATOM 419 N SER A 54 -10.004 -23.826 11.862 1.00 0.00 N
421
+ ATOM 420 CA SER A 54 -11.184 -24.297 11.143 1.00 0.00 C
422
+ ATOM 421 C SER A 54 -11.725 -23.223 10.206 1.00 0.00 C
423
+ ATOM 422 CB SER A 54 -12.274 -24.725 12.127 1.00 0.00 C
424
+ ATOM 423 O SER A 54 -11.456 -22.035 10.393 1.00 0.00 O
425
+ ATOM 424 OG SER A 54 -12.664 -23.638 12.950 1.00 0.00 O
426
+ ATOM 425 N THR A 55 -12.406 -23.699 9.226 1.00 0.00 N
427
+ ATOM 426 CA THR A 55 -13.050 -22.749 8.328 1.00 0.00 C
428
+ ATOM 427 C THR A 55 -14.198 -22.031 9.032 1.00 0.00 C
429
+ ATOM 428 CB THR A 55 -13.577 -23.446 7.060 1.00 0.00 C
430
+ ATOM 429 O THR A 55 -14.792 -22.570 9.968 1.00 0.00 O
431
+ ATOM 430 CG2 THR A 55 -12.445 -24.123 6.294 1.00 0.00 C
432
+ ATOM 431 OG1 THR A 55 -14.545 -24.435 7.435 1.00 0.00 O
433
+ ATOM 432 N MET A 56 -14.365 -20.870 8.636 1.00 0.00 N
434
+ ATOM 433 CA MET A 56 -15.448 -20.031 9.142 1.00 0.00 C
435
+ ATOM 434 C MET A 56 -16.341 -19.551 8.002 1.00 0.00 C
436
+ ATOM 435 CB MET A 56 -14.889 -18.833 9.909 1.00 0.00 C
437
+ ATOM 436 O MET A 56 -15.882 -19.405 6.868 1.00 0.00 O
438
+ ATOM 437 CG MET A 56 -14.058 -19.216 11.124 1.00 0.00 C
439
+ ATOM 438 SD MET A 56 -13.513 -17.755 12.091 1.00 0.00 S
440
+ ATOM 439 CE MET A 56 -12.688 -18.581 13.479 1.00 0.00 C
441
+ ATOM 440 N SER A 57 -17.630 -19.435 8.348 1.00 0.00 N
442
+ ATOM 441 CA SER A 57 -18.585 -18.938 7.364 1.00 0.00 C
443
+ ATOM 442 C SER A 57 -18.382 -17.450 7.099 1.00 0.00 C
444
+ ATOM 443 CB SER A 57 -20.018 -19.190 7.834 1.00 0.00 C
445
+ ATOM 444 O SER A 57 -18.414 -16.639 8.027 1.00 0.00 O
446
+ ATOM 445 OG SER A 57 -20.951 -18.775 6.850 1.00 0.00 O
447
+ ATOM 446 N ILE A 58 -18.117 -17.062 5.771 1.00 0.00 N
448
+ ATOM 447 CA ILE A 58 -17.887 -15.661 5.436 1.00 0.00 C
449
+ ATOM 448 C ILE A 58 -18.719 -15.278 4.216 1.00 0.00 C
450
+ ATOM 449 CB ILE A 58 -16.389 -15.382 5.173 1.00 0.00 C
451
+ ATOM 450 O ILE A 58 -19.139 -16.146 3.446 1.00 0.00 O
452
+ ATOM 451 CG1 ILE A 58 -15.916 -16.139 3.928 1.00 0.00 C
453
+ ATOM 452 CG2 ILE A 58 -15.547 -15.757 6.396 1.00 0.00 C
454
+ ATOM 453 CD1 ILE A 58 -14.566 -15.676 3.397 1.00 0.00 C
455
+ ATOM 454 N THR A 59 -18.971 -14.038 4.111 1.00 0.00 N
456
+ ATOM 455 CA THR A 59 -19.540 -13.440 2.909 1.00 0.00 C
457
+ ATOM 456 C THR A 59 -18.635 -12.332 2.376 1.00 0.00 C
458
+ ATOM 457 CB THR A 59 -20.946 -12.873 3.179 1.00 0.00 C
459
+ ATOM 458 O THR A 59 -18.335 -11.373 3.089 1.00 0.00 O
460
+ ATOM 459 CG2 THR A 59 -21.515 -12.199 1.935 1.00 0.00 C
461
+ ATOM 460 OG1 THR A 59 -21.818 -13.939 3.573 1.00 0.00 O
462
+ ATOM 461 N ASP A 60 -18.133 -12.490 1.152 1.00 0.00 N
463
+ ATOM 462 CA ASP A 60 -17.349 -11.475 0.457 1.00 0.00 C
464
+ ATOM 463 C ASP A 60 -18.242 -10.581 -0.400 1.00 0.00 C
465
+ ATOM 464 CB ASP A 60 -16.273 -12.130 -0.412 1.00 0.00 C
466
+ ATOM 465 O ASP A 60 -19.021 -11.075 -1.219 1.00 0.00 O
467
+ ATOM 466 CG ASP A 60 -15.128 -12.711 0.399 1.00 0.00 C
468
+ ATOM 467 OD1 ASP A 60 -14.625 -12.031 1.319 1.00 0.00 O
469
+ ATOM 468 OD2 ASP A 60 -14.724 -13.859 0.114 1.00 0.00 O
470
+ ATOM 469 N CYS A 61 -18.186 -9.402 -0.105 1.00 0.00 N
471
+ ATOM 470 CA CYS A 61 -18.902 -8.381 -0.862 1.00 0.00 C
472
+ ATOM 471 C CYS A 61 -17.946 -7.586 -1.743 1.00 0.00 C
473
+ ATOM 472 CB CYS A 61 -19.645 -7.436 0.081 1.00 0.00 C
474
+ ATOM 473 O CYS A 61 -17.005 -6.966 -1.244 1.00 0.00 O
475
+ ATOM 474 SG CYS A 61 -20.896 -8.256 1.096 1.00 0.00 S
476
+ ATOM 475 N ARG A 62 -18.165 -7.579 -3.021 1.00 0.00 N
477
+ ATOM 476 CA ARG A 62 -17.338 -6.843 -3.971 1.00 0.00 C
478
+ ATOM 477 C ARG A 62 -18.189 -5.918 -4.835 1.00 0.00 C
479
+ ATOM 478 CB ARG A 62 -16.549 -7.808 -4.858 1.00 0.00 C
480
+ ATOM 479 O ARG A 62 -19.194 -6.345 -5.409 1.00 0.00 O
481
+ ATOM 480 CG ARG A 62 -15.569 -7.121 -5.796 1.00 0.00 C
482
+ ATOM 481 CD ARG A 62 -14.729 -8.127 -6.571 1.00 0.00 C
483
+ ATOM 482 NE ARG A 62 -13.720 -8.754 -5.721 1.00 0.00 N
484
+ ATOM 483 NH1 ARG A 62 -11.959 -7.501 -6.538 1.00 0.00 N
485
+ ATOM 484 NH2 ARG A 62 -11.596 -9.075 -4.911 1.00 0.00 N
486
+ ATOM 485 CZ ARG A 62 -12.427 -8.442 -5.725 1.00 0.00 C
487
+ ATOM 486 N GLU A 63 -17.783 -4.724 -4.897 1.00 0.00 N
488
+ ATOM 487 CA GLU A 63 -18.481 -3.734 -5.711 1.00 0.00 C
489
+ ATOM 488 C GLU A 63 -18.528 -4.160 -7.176 1.00 0.00 C
490
+ ATOM 489 CB GLU A 63 -17.812 -2.364 -5.582 1.00 0.00 C
491
+ ATOM 490 O GLU A 63 -17.527 -4.626 -7.724 1.00 0.00 O
492
+ ATOM 491 CG GLU A 63 -18.585 -1.237 -6.252 1.00 0.00 C
493
+ ATOM 492 CD GLU A 63 -17.887 0.111 -6.154 1.00 0.00 C
494
+ ATOM 493 OE1 GLU A 63 -16.678 0.146 -5.831 1.00 0.00 O
495
+ ATOM 494 OE2 GLU A 63 -18.556 1.140 -6.402 1.00 0.00 O
496
+ ATOM 495 N THR A 64 -19.717 -4.040 -7.774 1.00 0.00 N
497
+ ATOM 496 CA THR A 64 -19.913 -4.437 -9.163 1.00 0.00 C
498
+ ATOM 497 C THR A 64 -19.616 -3.275 -10.106 1.00 0.00 C
499
+ ATOM 498 CB THR A 64 -21.348 -4.941 -9.402 1.00 0.00 C
500
+ ATOM 499 O THR A 64 -19.513 -2.126 -9.670 1.00 0.00 O
501
+ ATOM 500 CG2 THR A 64 -21.722 -6.031 -8.403 1.00 0.00 C
502
+ ATOM 501 OG1 THR A 64 -22.262 -3.847 -9.261 1.00 0.00 O
503
+ ATOM 502 N GLY A 65 -19.439 -3.630 -11.467 1.00 0.00 N
504
+ ATOM 503 CA GLY A 65 -19.217 -2.620 -12.488 1.00 0.00 C
505
+ ATOM 504 C GLY A 65 -20.369 -1.641 -12.621 1.00 0.00 C
506
+ ATOM 505 O GLY A 65 -20.194 -0.534 -13.134 1.00 0.00 O
507
+ ATOM 506 N SER A 66 -21.496 -2.017 -12.133 1.00 0.00 N
508
+ ATOM 507 CA SER A 66 -22.685 -1.180 -12.265 1.00 0.00 C
509
+ ATOM 508 C SER A 66 -22.856 -0.270 -11.054 1.00 0.00 C
510
+ ATOM 509 CB SER A 66 -23.932 -2.045 -12.445 1.00 0.00 C
511
+ ATOM 510 O SER A 66 -23.796 0.526 -10.997 1.00 0.00 O
512
+ ATOM 511 OG SER A 66 -24.137 -2.874 -11.315 1.00 0.00 O
513
+ ATOM 512 N SER A 67 -22.024 -0.300 -10.175 1.00 0.00 N
514
+ ATOM 513 CA SER A 67 -22.127 0.475 -8.943 1.00 0.00 C
515
+ ATOM 514 C SER A 67 -21.862 1.954 -9.196 1.00 0.00 C
516
+ ATOM 515 CB SER A 67 -21.149 -0.055 -7.893 1.00 0.00 C
517
+ ATOM 516 O SER A 67 -20.890 2.311 -9.865 1.00 0.00 O
518
+ ATOM 517 OG SER A 67 -21.326 0.616 -6.656 1.00 0.00 O
519
+ ATOM 518 N LYS A 68 -22.734 2.779 -8.618 1.00 0.00 N
520
+ ATOM 519 CA LYS A 68 -22.619 4.234 -8.632 1.00 0.00 C
521
+ ATOM 520 C LYS A 68 -23.086 4.835 -7.308 1.00 0.00 C
522
+ ATOM 521 CB LYS A 68 -23.425 4.825 -9.789 1.00 0.00 C
523
+ ATOM 522 O LYS A 68 -24.237 4.651 -6.909 1.00 0.00 O
524
+ ATOM 523 CG LYS A 68 -23.130 6.293 -10.062 1.00 0.00 C
525
+ ATOM 524 CD LYS A 68 -23.868 6.790 -11.299 1.00 0.00 C
526
+ ATOM 525 CE LYS A 68 -23.604 8.269 -11.552 1.00 0.00 C
527
+ ATOM 526 NZ LYS A 68 -24.275 8.746 -12.797 1.00 0.00 N
528
+ ATOM 527 N TYR A 69 -22.227 5.657 -6.716 1.00 0.00 N
529
+ ATOM 528 CA TYR A 69 -22.631 6.312 -5.477 1.00 0.00 C
530
+ ATOM 529 C TYR A 69 -23.750 7.314 -5.730 1.00 0.00 C
531
+ ATOM 530 CB TYR A 69 -21.435 7.018 -4.827 1.00 0.00 C
532
+ ATOM 531 O TYR A 69 -23.680 8.110 -6.670 1.00 0.00 O
533
+ ATOM 532 CG TYR A 69 -21.771 7.708 -3.528 1.00 0.00 C
534
+ ATOM 533 CD1 TYR A 69 -21.828 6.995 -2.332 1.00 0.00 C
535
+ ATOM 534 CD2 TYR A 69 -22.033 9.073 -3.492 1.00 0.00 C
536
+ ATOM 535 CE1 TYR A 69 -22.138 7.626 -1.132 1.00 0.00 C
537
+ ATOM 536 CE2 TYR A 69 -22.344 9.716 -2.298 1.00 0.00 C
538
+ ATOM 537 OH TYR A 69 -22.702 9.614 0.060 1.00 0.00 O
539
+ ATOM 538 CZ TYR A 69 -22.394 8.985 -1.126 1.00 0.00 C
540
+ ATOM 539 N PRO A 70 -24.695 7.247 -4.911 1.00 0.00 N
541
+ ATOM 540 CA PRO A 70 -24.848 6.556 -3.629 1.00 0.00 C
542
+ ATOM 541 C PRO A 70 -25.532 5.198 -3.769 1.00 0.00 C
543
+ ATOM 542 CB PRO A 70 -25.709 7.520 -2.810 1.00 0.00 C
544
+ ATOM 543 O PRO A 70 -25.871 4.566 -2.764 1.00 0.00 O
545
+ ATOM 544 CG PRO A 70 -26.595 8.187 -3.813 1.00 0.00 C
546
+ ATOM 545 CD PRO A 70 -25.821 8.369 -5.086 1.00 0.00 C
547
+ ATOM 546 N ASN A 71 -25.836 4.803 -4.995 1.00 0.00 N
548
+ ATOM 547 CA ASN A 71 -26.448 3.503 -5.249 1.00 0.00 C
549
+ ATOM 548 C ASN A 71 -25.396 2.411 -5.420 1.00 0.00 C
550
+ ATOM 549 CB ASN A 71 -27.352 3.566 -6.482 1.00 0.00 C
551
+ ATOM 550 O ASN A 71 -25.135 1.964 -6.539 1.00 0.00 O
552
+ ATOM 551 CG ASN A 71 -28.478 4.570 -6.329 1.00 0.00 C
553
+ ATOM 552 ND2 ASN A 71 -28.774 5.296 -7.400 1.00 0.00 N
554
+ ATOM 553 OD1 ASN A 71 -29.077 4.690 -5.257 1.00 0.00 O
555
+ ATOM 554 N CYS A 72 -24.864 1.970 -4.386 1.00 0.00 N
556
+ ATOM 555 CA CYS A 72 -23.793 0.980 -4.392 1.00 0.00 C
557
+ ATOM 556 C CYS A 72 -24.346 -0.420 -4.627 1.00 0.00 C
558
+ ATOM 557 CB CYS A 72 -23.020 1.018 -3.074 1.00 0.00 C
559
+ ATOM 558 O CYS A 72 -25.347 -0.807 -4.020 1.00 0.00 O
560
+ ATOM 559 SG CYS A 72 -22.363 2.649 -2.661 1.00 0.00 S
561
+ ATOM 560 N ALA A 73 -23.832 -1.156 -5.545 1.00 0.00 N
562
+ ATOM 561 CA ALA A 73 -24.216 -2.522 -5.890 1.00 0.00 C
563
+ ATOM 562 C ALA A 73 -23.051 -3.487 -5.692 1.00 0.00 C
564
+ ATOM 563 CB ALA A 73 -24.717 -2.586 -7.331 1.00 0.00 C
565
+ ATOM 564 O ALA A 73 -21.926 -3.205 -6.111 1.00 0.00 O
566
+ ATOM 565 N TYR A 74 -23.356 -4.622 -5.077 1.00 0.00 N
567
+ ATOM 566 CA TYR A 74 -22.286 -5.541 -4.705 1.00 0.00 C
568
+ ATOM 567 C TYR A 74 -22.619 -6.966 -5.131 1.00 0.00 C
569
+ ATOM 568 CB TYR A 74 -22.036 -5.493 -3.196 1.00 0.00 C
570
+ ATOM 569 O TYR A 74 -23.772 -7.395 -5.042 1.00 0.00 O
571
+ ATOM 570 CG TYR A 74 -21.545 -4.153 -2.704 1.00 0.00 C
572
+ ATOM 571 CD1 TYR A 74 -20.183 -3.869 -2.636 1.00 0.00 C
573
+ ATOM 572 CD2 TYR A 74 -22.443 -3.166 -2.308 1.00 0.00 C
574
+ ATOM 573 CE1 TYR A 74 -19.726 -2.636 -2.182 1.00 0.00 C
575
+ ATOM 574 CE2 TYR A 74 -21.997 -1.930 -1.852 1.00 0.00 C
576
+ ATOM 575 OH TYR A 74 -20.193 -0.452 -1.343 1.00 0.00 O
577
+ ATOM 576 CZ TYR A 74 -20.639 -1.674 -1.793 1.00 0.00 C
578
+ ATOM 577 N LYS A 75 -21.618 -7.663 -5.599 1.00 0.00 N
579
+ ATOM 578 CA LYS A 75 -21.657 -9.115 -5.742 1.00 0.00 C
580
+ ATOM 579 C LYS A 75 -21.453 -9.805 -4.397 1.00 0.00 C
581
+ ATOM 580 CB LYS A 75 -20.596 -9.585 -6.739 1.00 0.00 C
582
+ ATOM 581 O LYS A 75 -20.547 -9.448 -3.641 1.00 0.00 O
583
+ ATOM 582 CG LYS A 75 -20.634 -11.079 -7.026 1.00 0.00 C
584
+ ATOM 583 CD LYS A 75 -19.560 -11.485 -8.026 1.00 0.00 C
585
+ ATOM 584 CE LYS A 75 -19.575 -12.984 -8.288 1.00 0.00 C
586
+ ATOM 585 NZ LYS A 75 -18.509 -13.389 -9.252 1.00 0.00 N
587
+ ATOM 586 N THR A 76 -22.284 -10.736 -4.127 1.00 0.00 N
588
+ ATOM 587 CA THR A 76 -22.260 -11.497 -2.883 1.00 0.00 C
589
+ ATOM 588 C THR A 76 -21.701 -12.898 -3.117 1.00 0.00 C
590
+ ATOM 589 CB THR A 76 -23.666 -11.601 -2.264 1.00 0.00 C
591
+ ATOM 590 O THR A 76 -22.214 -13.646 -3.951 1.00 0.00 O
592
+ ATOM 591 CG2 THR A 76 -23.645 -12.433 -0.986 1.00 0.00 C
593
+ ATOM 592 OG1 THR A 76 -24.143 -10.285 -1.956 1.00 0.00 O
594
+ ATOM 593 N THR A 77 -20.650 -13.224 -2.445 1.00 0.00 N
595
+ ATOM 594 CA THR A 77 -20.055 -14.554 -2.514 1.00 0.00 C
596
+ ATOM 595 C THR A 77 -19.940 -15.167 -1.121 1.00 0.00 C
597
+ ATOM 596 CB THR A 77 -18.666 -14.512 -3.176 1.00 0.00 C
598
+ ATOM 597 O THR A 77 -19.218 -14.648 -0.266 1.00 0.00 O
599
+ ATOM 598 CG2 THR A 77 -18.091 -15.916 -3.336 1.00 0.00 C
600
+ ATOM 599 OG1 THR A 77 -18.778 -13.903 -4.468 1.00 0.00 O
601
+ ATOM 600 N GLN A 78 -20.605 -16.218 -0.912 1.00 0.00 N
602
+ ATOM 601 CA GLN A 78 -20.537 -16.948 0.350 1.00 0.00 C
603
+ ATOM 602 C GLN A 78 -19.567 -18.122 0.255 1.00 0.00 C
604
+ ATOM 603 CB GLN A 78 -21.925 -17.444 0.759 1.00 0.00 C
605
+ ATOM 604 O GLN A 78 -19.520 -18.813 -0.764 1.00 0.00 O
606
+ ATOM 605 CG GLN A 78 -22.914 -16.327 1.060 1.00 0.00 C
607
+ ATOM 606 CD GLN A 78 -24.302 -16.844 1.388 1.00 0.00 C
608
+ ATOM 607 NE2 GLN A 78 -24.974 -16.186 2.327 1.00 0.00 N
609
+ ATOM 608 OE1 GLN A 78 -24.768 -17.826 0.802 1.00 0.00 O
610
+ ATOM 609 N ALA A 79 -18.838 -18.272 1.387 1.00 0.00 N
611
+ ATOM 610 CA ALA A 79 -17.880 -19.374 1.395 1.00 0.00 C
612
+ ATOM 611 C ALA A 79 -17.487 -19.750 2.821 1.00 0.00 C
613
+ ATOM 612 CB ALA A 79 -16.639 -19.006 0.584 1.00 0.00 C
614
+ ATOM 613 O ALA A 79 -17.719 -18.983 3.757 1.00 0.00 O
615
+ ATOM 614 N ASN A 80 -17.018 -20.951 2.958 1.00 0.00 N
616
+ ATOM 615 CA ASN A 80 -16.323 -21.391 4.162 1.00 0.00 C
617
+ ATOM 616 C ASN A 80 -14.811 -21.427 3.956 1.00 0.00 C
618
+ ATOM 617 CB ASN A 80 -16.831 -22.764 4.606 1.00 0.00 C
619
+ ATOM 618 O ASN A 80 -14.307 -22.232 3.169 1.00 0.00 O
620
+ ATOM 619 CG ASN A 80 -18.263 -22.724 5.103 1.00 0.00 C
621
+ ATOM 620 ND2 ASN A 80 -19.040 -23.742 4.755 1.00 0.00 N
622
+ ATOM 621 OD1 ASN A 80 -18.667 -21.784 5.794 1.00 0.00 O
623
+ ATOM 622 N LYS A 81 -14.176 -20.555 4.571 1.00 0.00 N
624
+ ATOM 623 CA LYS A 81 -12.733 -20.415 4.396 1.00 0.00 C
625
+ ATOM 624 C LYS A 81 -12.034 -20.203 5.736 1.00 0.00 C
626
+ ATOM 625 CB LYS A 81 -12.416 -19.255 3.451 1.00 0.00 C
627
+ ATOM 626 O LYS A 81 -12.661 -19.779 6.709 1.00 0.00 O
628
+ ATOM 627 CG LYS A 81 -12.874 -19.482 2.018 1.00 0.00 C
629
+ ATOM 628 CD LYS A 81 -12.364 -18.388 1.089 1.00 0.00 C
630
+ ATOM 629 CE LYS A 81 -12.724 -18.674 -0.363 1.00 0.00 C
631
+ ATOM 630 NZ LYS A 81 -12.152 -17.650 -1.288 1.00 0.00 N
632
+ ATOM 631 N HIS A 82 -10.763 -20.492 5.799 1.00 0.00 N
633
+ ATOM 632 CA HIS A 82 -9.956 -20.020 6.918 1.00 0.00 C
634
+ ATOM 633 C HIS A 82 -9.725 -18.515 6.835 1.00 0.00 C
635
+ ATOM 634 CB HIS A 82 -8.616 -20.756 6.961 1.00 0.00 C
636
+ ATOM 635 O HIS A 82 -9.532 -17.972 5.744 1.00 0.00 O
637
+ ATOM 636 CG HIS A 82 -8.748 -22.237 7.122 1.00 0.00 C
638
+ ATOM 637 CD2 HIS A 82 -8.710 -23.237 6.212 1.00 0.00 C
639
+ ATOM 638 ND1 HIS A 82 -8.952 -22.836 8.346 1.00 0.00 N
640
+ ATOM 639 CE1 HIS A 82 -9.032 -24.146 8.179 1.00 0.00 C
641
+ ATOM 640 NE2 HIS A 82 -8.888 -24.415 6.893 1.00 0.00 N
642
+ ATOM 641 N ILE A 83 -9.778 -17.876 7.935 1.00 0.00 N
643
+ ATOM 642 CA ILE A 83 -9.545 -16.436 7.930 1.00 0.00 C
644
+ ATOM 643 C ILE A 83 -8.205 -16.127 8.595 1.00 0.00 C
645
+ ATOM 644 CB ILE A 83 -10.685 -15.676 8.645 1.00 0.00 C
646
+ ATOM 645 O ILE A 83 -7.725 -16.901 9.426 1.00 0.00 O
647
+ ATOM 646 CG1 ILE A 83 -10.742 -16.069 10.126 1.00 0.00 C
648
+ ATOM 647 CG2 ILE A 83 -12.027 -15.942 7.955 1.00 0.00 C
649
+ ATOM 648 CD1 ILE A 83 -11.585 -15.135 10.982 1.00 0.00 C
650
+ ATOM 649 N ILE A 84 -7.626 -15.119 8.128 1.00 0.00 N
651
+ ATOM 650 CA ILE A 84 -6.415 -14.554 8.714 1.00 0.00 C
652
+ ATOM 651 C ILE A 84 -6.711 -13.161 9.269 1.00 0.00 C
653
+ ATOM 652 CB ILE A 84 -5.267 -14.486 7.681 1.00 0.00 C
654
+ ATOM 653 O ILE A 84 -7.229 -12.299 8.555 1.00 0.00 O
655
+ ATOM 654 CG1 ILE A 84 -4.898 -15.894 7.201 1.00 0.00 C
656
+ ATOM 655 CG2 ILE A 84 -4.049 -13.773 8.275 1.00 0.00 C
657
+ ATOM 656 CD1 ILE A 84 -3.878 -15.915 6.071 1.00 0.00 C
658
+ ATOM 657 N VAL A 85 -6.433 -12.925 10.544 1.00 0.00 N
659
+ ATOM 658 CA VAL A 85 -6.650 -11.632 11.183 1.00 0.00 C
660
+ ATOM 659 C VAL A 85 -5.351 -11.150 11.827 1.00 0.00 C
661
+ ATOM 660 CB VAL A 85 -7.774 -11.704 12.240 1.00 0.00 C
662
+ ATOM 661 O VAL A 85 -4.513 -11.959 12.229 1.00 0.00 O
663
+ ATOM 662 CG1 VAL A 85 -9.114 -12.028 11.583 1.00 0.00 C
664
+ ATOM 663 CG2 VAL A 85 -7.436 -12.742 13.310 1.00 0.00 C
665
+ ATOM 664 N ALA A 86 -5.213 -9.840 11.870 1.00 0.00 N
666
+ ATOM 665 CA ALA A 86 -4.136 -9.212 12.632 1.00 0.00 C
667
+ ATOM 666 C ALA A 86 -4.558 -8.966 14.077 1.00 0.00 C
668
+ ATOM 667 CB ALA A 86 -3.711 -7.902 11.974 1.00 0.00 C
669
+ ATOM 668 O ALA A 86 -5.663 -8.482 14.333 1.00 0.00 O
670
+ ATOM 669 N CYS A 87 -3.755 -9.402 14.973 1.00 0.00 N
671
+ ATOM 670 CA CYS A 87 -4.097 -9.331 16.389 1.00 0.00 C
672
+ ATOM 671 C CYS A 87 -3.151 -8.394 17.132 1.00 0.00 C
673
+ ATOM 672 CB CYS A 87 -4.055 -10.721 17.022 1.00 0.00 C
674
+ ATOM 673 O CYS A 87 -1.962 -8.329 16.815 1.00 0.00 O
675
+ ATOM 674 SG CYS A 87 -5.156 -11.915 16.232 1.00 0.00 S
676
+ ATOM 675 N GLU A 88 -3.678 -7.615 17.995 1.00 0.00 N
677
+ ATOM 676 CA GLU A 88 -2.855 -6.685 18.760 1.00 0.00 C
678
+ ATOM 677 C GLU A 88 -3.454 -6.423 20.139 1.00 0.00 C
679
+ ATOM 678 CB GLU A 88 -2.683 -5.367 18.002 1.00 0.00 C
680
+ ATOM 679 O GLU A 88 -4.629 -6.709 20.375 1.00 0.00 O
681
+ ATOM 680 CG GLU A 88 -1.972 -5.514 16.665 1.00 0.00 C
682
+ ATOM 681 CD GLU A 88 -1.802 -4.196 15.927 1.00 0.00 C
683
+ ATOM 682 OE1 GLU A 88 -2.091 -3.129 16.515 1.00 0.00 O
684
+ ATOM 683 OE2 GLU A 88 -1.377 -4.230 14.751 1.00 0.00 O
685
+ ATOM 684 N GLY A 89 -2.646 -5.847 21.026 1.00 0.00 N
686
+ ATOM 685 CA GLY A 89 -3.129 -5.298 22.283 1.00 0.00 C
687
+ ATOM 686 C GLY A 89 -3.131 -6.308 23.414 1.00 0.00 C
688
+ ATOM 687 O GLY A 89 -2.718 -7.456 23.229 1.00 0.00 O
689
+ ATOM 688 N ASN A 90 -3.439 -5.952 24.526 1.00 0.00 N
690
+ ATOM 689 CA ASN A 90 -3.772 -6.658 25.759 1.00 0.00 C
691
+ ATOM 690 C ASN A 90 -5.169 -6.296 26.253 1.00 0.00 C
692
+ ATOM 691 CB ASN A 90 -2.732 -6.364 26.843 1.00 0.00 C
693
+ ATOM 692 O ASN A 90 -5.373 -5.219 26.817 1.00 0.00 O
694
+ ATOM 693 CG ASN A 90 -2.875 -7.270 28.050 1.00 0.00 C
695
+ ATOM 694 ND2 ASN A 90 -2.003 -7.088 29.034 1.00 0.00 N
696
+ ATOM 695 OD1 ASN A 90 -3.762 -8.127 28.096 1.00 0.00 O
697
+ ATOM 696 N PRO A 91 -6.141 -7.140 26.066 1.00 0.00 N
698
+ ATOM 697 CA PRO A 91 -6.026 -8.522 25.594 1.00 0.00 C
699
+ ATOM 698 C PRO A 91 -5.705 -8.612 24.103 1.00 0.00 C
700
+ ATOM 699 CB PRO A 91 -7.406 -9.113 25.891 1.00 0.00 C
701
+ ATOM 700 O PRO A 91 -5.852 -7.625 23.377 1.00 0.00 O
702
+ ATOM 701 CG PRO A 91 -8.346 -7.955 25.795 1.00 0.00 C
703
+ ATOM 702 CD PRO A 91 -7.628 -6.718 26.250 1.00 0.00 C
704
+ ATOM 703 N TYR A 92 -5.097 -9.617 23.768 1.00 0.00 N
705
+ ATOM 704 CA TYR A 92 -4.683 -9.935 22.406 1.00 0.00 C
706
+ ATOM 705 C TYR A 92 -5.886 -10.280 21.537 1.00 0.00 C
707
+ ATOM 706 CB TYR A 92 -3.686 -11.098 22.404 1.00 0.00 C
708
+ ATOM 707 O TYR A 92 -6.467 -11.360 21.672 1.00 0.00 O
709
+ ATOM 708 CG TYR A 92 -2.880 -11.205 21.133 1.00 0.00 C
710
+ ATOM 709 CD1 TYR A 92 -2.102 -10.139 20.686 1.00 0.00 C
711
+ ATOM 710 CD2 TYR A 92 -2.895 -12.371 20.374 1.00 0.00 C
712
+ ATOM 711 CE1 TYR A 92 -1.359 -10.232 19.514 1.00 0.00 C
713
+ ATOM 712 CE2 TYR A 92 -2.156 -12.474 19.200 1.00 0.00 C
714
+ ATOM 713 OH TYR A 92 -0.658 -11.500 17.618 1.00 0.00 O
715
+ ATOM 714 CZ TYR A 92 -1.392 -11.403 18.779 1.00 0.00 C
716
+ ATOM 715 N VAL A 93 -6.455 -9.283 20.651 1.00 0.00 N
717
+ ATOM 716 CA VAL A 93 -7.730 -9.378 19.948 1.00 0.00 C
718
+ ATOM 717 C VAL A 93 -7.544 -8.987 18.484 1.00 0.00 C
719
+ ATOM 718 CB VAL A 93 -8.808 -8.486 20.605 1.00 0.00 C
720
+ ATOM 719 O VAL A 93 -6.611 -8.255 18.144 1.00 0.00 O
721
+ ATOM 720 CG1 VAL A 93 -9.148 -8.992 22.005 1.00 0.00 C
722
+ ATOM 721 CG2 VAL A 93 -8.338 -7.034 20.657 1.00 0.00 C
723
+ ATOM 722 N PRO A 94 -8.435 -9.545 17.598 1.00 0.00 N
724
+ ATOM 723 CA PRO A 94 -8.370 -9.154 16.188 1.00 0.00 C
725
+ ATOM 724 C PRO A 94 -8.644 -7.667 15.975 1.00 0.00 C
726
+ ATOM 725 CB PRO A 94 -9.458 -10.010 15.534 1.00 0.00 C
727
+ ATOM 726 O PRO A 94 -9.578 -7.117 16.566 1.00 0.00 O
728
+ ATOM 727 CG PRO A 94 -9.796 -11.045 16.557 1.00 0.00 C
729
+ ATOM 728 CD PRO A 94 -9.533 -10.474 17.921 1.00 0.00 C
730
+ ATOM 729 N VAL A 95 -7.817 -6.963 15.145 1.00 0.00 N
731
+ ATOM 730 CA VAL A 95 -7.984 -5.538 14.884 1.00 0.00 C
732
+ ATOM 731 C VAL A 95 -8.214 -5.310 13.391 1.00 0.00 C
733
+ ATOM 732 CB VAL A 95 -6.760 -4.726 15.364 1.00 0.00 C
734
+ ATOM 733 O VAL A 95 -8.714 -4.257 12.988 1.00 0.00 O
735
+ ATOM 734 CG1 VAL A 95 -6.658 -4.752 16.888 1.00 0.00 C
736
+ ATOM 735 CG2 VAL A 95 -5.479 -5.266 14.730 1.00 0.00 C
737
+ ATOM 736 N HIS A 96 -7.832 -6.287 12.643 1.00 0.00 N
738
+ ATOM 737 CA HIS A 96 -7.928 -6.125 11.197 1.00 0.00 C
739
+ ATOM 738 C HIS A 96 -8.115 -7.469 10.502 1.00 0.00 C
740
+ ATOM 739 CB HIS A 96 -6.684 -5.421 10.652 1.00 0.00 C
741
+ ATOM 740 O HIS A 96 -7.469 -8.455 10.866 1.00 0.00 O
742
+ ATOM 741 CG HIS A 96 -6.661 -5.311 9.161 1.00 0.00 C
743
+ ATOM 742 CD2 HIS A 96 -5.938 -5.980 8.232 1.00 0.00 C
744
+ ATOM 743 ND1 HIS A 96 -7.451 -4.420 8.469 1.00 0.00 N
745
+ ATOM 744 CE1 HIS A 96 -7.216 -4.547 7.173 1.00 0.00 C
746
+ ATOM 745 NE2 HIS A 96 -6.302 -5.488 7.003 1.00 0.00 N
747
+ ATOM 746 N PHE A 97 -8.991 -7.451 9.593 1.00 0.00 N
748
+ ATOM 747 CA PHE A 97 -9.132 -8.592 8.697 1.00 0.00 C
749
+ ATOM 748 C PHE A 97 -8.066 -8.560 7.608 1.00 0.00 C
750
+ ATOM 749 CB PHE A 97 -10.527 -8.614 8.065 1.00 0.00 C
751
+ ATOM 750 O PHE A 97 -7.999 -7.610 6.825 1.00 0.00 O
752
+ ATOM 751 CG PHE A 97 -10.811 -9.854 7.262 1.00 0.00 C
753
+ ATOM 752 CD1 PHE A 97 -11.375 -10.974 7.861 1.00 0.00 C
754
+ ATOM 753 CD2 PHE A 97 -10.514 -9.899 5.906 1.00 0.00 C
755
+ ATOM 754 CE1 PHE A 97 -11.638 -12.123 7.119 1.00 0.00 C
756
+ ATOM 755 CE2 PHE A 97 -10.775 -11.045 5.157 1.00 0.00 C
757
+ ATOM 756 CZ PHE A 97 -11.336 -12.155 5.767 1.00 0.00 C
758
+ ATOM 757 N ASP A 98 -7.254 -9.672 7.502 1.00 0.00 N
759
+ ATOM 758 CA ASP A 98 -6.128 -9.639 6.575 1.00 0.00 C
760
+ ATOM 759 C ASP A 98 -6.458 -10.382 5.282 1.00 0.00 C
761
+ ATOM 760 CB ASP A 98 -4.881 -10.242 7.224 1.00 0.00 C
762
+ ATOM 761 O ASP A 98 -6.177 -9.888 4.188 1.00 0.00 O
763
+ ATOM 762 CG ASP A 98 -3.616 -10.004 6.415 1.00 0.00 C
764
+ ATOM 763 OD1 ASP A 98 -3.192 -8.835 6.280 1.00 0.00 O
765
+ ATOM 764 OD2 ASP A 98 -3.043 -10.991 5.909 1.00 0.00 O
766
+ ATOM 765 N ALA A 99 -7.016 -11.566 5.473 1.00 0.00 N
767
+ ATOM 766 CA ALA A 99 -7.332 -12.354 4.285 1.00 0.00 C
768
+ ATOM 767 C ALA A 99 -8.226 -13.540 4.635 1.00 0.00 C
769
+ ATOM 768 CB ALA A 99 -6.051 -12.838 3.610 1.00 0.00 C
770
+ ATOM 769 O ALA A 99 -8.466 -13.818 5.813 1.00 0.00 O
771
+ ATOM 770 N SER A 100 -8.804 -14.108 3.661 1.00 0.00 N
772
+ ATOM 771 CA SER A 100 -9.433 -15.422 3.742 1.00 0.00 C
773
+ ATOM 772 C SER A 100 -8.760 -16.416 2.801 1.00 0.00 C
774
+ ATOM 773 CB SER A 100 -10.923 -15.324 3.411 1.00 0.00 C
775
+ ATOM 774 O SER A 100 -8.360 -16.056 1.692 1.00 0.00 O
776
+ ATOM 775 OG SER A 100 -11.116 -14.884 2.078 1.00 0.00 O
777
+ ATOM 776 N VAL A 101 -8.560 -17.700 3.294 1.00 0.00 N
778
+ ATOM 777 CA VAL A 101 -7.870 -18.711 2.502 1.00 0.00 C
779
+ ATOM 778 C VAL A 101 -8.621 -20.037 2.587 1.00 0.00 C
780
+ ATOM 779 CB VAL A 101 -6.407 -18.896 2.966 1.00 0.00 C
781
+ ATOM 780 O VAL A 101 -9.326 -20.296 3.566 1.00 0.00 O
782
+ ATOM 781 CG1 VAL A 101 -5.596 -17.627 2.712 1.00 0.00 C
783
+ ATOM 782 CG2 VAL A 101 -6.362 -19.275 4.445 1.00 0.00 C
784
+ ATOM 783 OXT VAL A 101 -8.140 -20.299 1.505 1.00 0.00 O
785
+ TER 784 VAL A 101
786
+ CONECT 26 474
787
+ CONECT 142 559
788
+ CONECT 278 674
789
+ CONECT 328 379
790
+ CONECT 379 328
791
+ CONECT 474 26
792
+ CONECT 559 142
793
+ CONECT 674 278
794
+ END
1j80/1j80_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1tpw/1tpw_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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26
+ 14 H4 22.2831 28.4249 17.1058 H 1 PGH 0.2490
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29
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41
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1tpw/1tpw_ligand.sdf ADDED
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1
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37
+ $$$$
1tpw/1tpw_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1tpw/1tpw_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uwf/1uwf_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1uwf_ligand
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+ 36 36 1 0 0
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12
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+ 9 C4 8.7660 12.9250 34.2330 C.3 1 DEG 0.1119
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+ 10 O4 8.9190 11.4860 34.1850 O.3 1 DEG -0.3865
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+ 11 C5 9.8510 13.5190 35.1970 C.3 1 DEG 0.1130
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+ 13 C6 11.2620 13.2090 34.7100 C.3 1 DEG 0.0730
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1uwf/1uwf_ligand.sdf ADDED
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78
+ $$$$
1uwf/1uwf_protein_esmfold_aligned_tr_fix.pdb ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N PHE A 1 10.867 16.221 33.190 1.00 0.00 N
3
+ ATOM 2 CA PHE A 1 10.952 16.117 31.738 1.00 0.00 C
4
+ ATOM 3 C PHE A 1 10.235 17.284 31.069 1.00 0.00 C
5
+ ATOM 4 CB PHE A 1 10.358 14.791 31.257 1.00 0.00 C
6
+ ATOM 5 O PHE A 1 9.100 17.608 31.424 1.00 0.00 O
7
+ ATOM 6 CG PHE A 1 10.487 14.570 29.774 1.00 0.00 C
8
+ ATOM 7 CD1 PHE A 1 11.731 14.358 29.193 1.00 0.00 C
9
+ ATOM 8 CD2 PHE A 1 9.362 14.575 28.959 1.00 0.00 C
10
+ ATOM 9 CE1 PHE A 1 11.852 14.155 27.820 1.00 0.00 C
11
+ ATOM 10 CE2 PHE A 1 9.474 14.372 27.587 1.00 0.00 C
12
+ ATOM 11 CZ PHE A 1 10.721 14.163 27.020 1.00 0.00 C
13
+ ATOM 12 N ALA A 2 10.876 18.033 30.355 1.00 0.00 N
14
+ ATOM 13 CA ALA A 2 10.312 19.195 29.672 1.00 0.00 C
15
+ ATOM 14 C ALA A 2 10.855 19.312 28.251 1.00 0.00 C
16
+ ATOM 15 CB ALA A 2 10.607 20.469 30.459 1.00 0.00 C
17
+ ATOM 16 O ALA A 2 12.001 18.940 27.984 1.00 0.00 O
18
+ ATOM 17 N CYS A 3 9.964 19.833 27.364 1.00 0.00 N
19
+ ATOM 18 CA CYS A 3 10.356 20.052 25.975 1.00 0.00 C
20
+ ATOM 19 C CYS A 3 10.023 21.471 25.533 1.00 0.00 C
21
+ ATOM 20 CB CYS A 3 9.663 19.045 25.058 1.00 0.00 C
22
+ ATOM 21 O CYS A 3 9.139 22.113 26.103 1.00 0.00 O
23
+ ATOM 22 SG CYS A 3 10.068 17.324 25.428 1.00 0.00 S
24
+ ATOM 23 N LYS A 4 10.812 21.932 24.574 1.00 0.00 N
25
+ ATOM 24 CA LYS A 4 10.565 23.228 23.948 1.00 0.00 C
26
+ ATOM 25 C LYS A 4 10.891 23.190 22.458 1.00 0.00 C
27
+ ATOM 26 CB LYS A 4 11.383 24.321 24.635 1.00 0.00 C
28
+ ATOM 27 O LYS A 4 11.618 22.307 21.998 1.00 0.00 O
29
+ ATOM 28 CG LYS A 4 12.888 24.154 24.488 1.00 0.00 C
30
+ ATOM 29 CD LYS A 4 13.649 25.231 25.250 1.00 0.00 C
31
+ ATOM 30 CE LYS A 4 15.155 25.076 25.088 1.00 0.00 C
32
+ ATOM 31 NZ LYS A 4 15.905 26.117 25.852 1.00 0.00 N
33
+ ATOM 32 N THR A 5 10.244 24.083 21.804 1.00 0.00 N
34
+ ATOM 33 CA THR A 5 10.609 24.252 20.402 1.00 0.00 C
35
+ ATOM 34 C THR A 5 11.944 24.978 20.274 1.00 0.00 C
36
+ ATOM 35 CB THR A 5 9.524 25.027 19.633 1.00 0.00 C
37
+ ATOM 36 O THR A 5 12.466 25.508 21.257 1.00 0.00 O
38
+ ATOM 37 CG2 THR A 5 8.174 24.323 19.727 1.00 0.00 C
39
+ ATOM 38 OG1 THR A 5 9.403 26.343 20.184 1.00 0.00 O
40
+ ATOM 39 N ALA A 6 12.458 24.962 19.027 1.00 0.00 N
41
+ ATOM 40 CA ALA A 6 13.727 25.622 18.732 1.00 0.00 C
42
+ ATOM 41 C ALA A 6 13.667 27.108 19.076 1.00 0.00 C
43
+ ATOM 42 CB ALA A 6 14.095 25.434 17.262 1.00 0.00 C
44
+ ATOM 43 O ALA A 6 14.674 27.703 19.462 1.00 0.00 O
45
+ ATOM 44 N ASN A 7 12.531 27.695 18.987 1.00 0.00 N
46
+ ATOM 45 CA ASN A 7 12.406 29.117 19.288 1.00 0.00 C
47
+ ATOM 46 C ASN A 7 12.153 29.356 20.774 1.00 0.00 C
48
+ ATOM 47 CB ASN A 7 11.289 29.747 18.452 1.00 0.00 C
49
+ ATOM 48 O ASN A 7 11.872 30.482 21.188 1.00 0.00 O
50
+ ATOM 49 CG ASN A 7 9.929 29.146 18.747 1.00 0.00 C
51
+ ATOM 50 ND2 ASN A 7 8.915 29.584 18.010 1.00 0.00 N
52
+ ATOM 51 OD1 ASN A 7 9.791 28.295 19.631 1.00 0.00 O
53
+ ATOM 52 N GLY A 8 12.126 28.344 21.580 1.00 0.00 N
54
+ ATOM 53 CA GLY A 8 12.067 28.500 23.025 1.00 0.00 C
55
+ ATOM 54 C GLY A 8 10.668 28.328 23.586 1.00 0.00 C
56
+ ATOM 55 O GLY A 8 10.453 28.482 24.790 1.00 0.00 O
57
+ ATOM 56 N THR A 9 9.661 28.100 22.699 1.00 0.00 N
58
+ ATOM 57 CA THR A 9 8.289 27.884 23.144 1.00 0.00 C
59
+ ATOM 58 C THR A 9 8.158 26.546 23.865 1.00 0.00 C
60
+ ATOM 59 CB THR A 9 7.303 27.932 21.962 1.00 0.00 C
61
+ ATOM 60 O THR A 9 8.543 25.505 23.330 1.00 0.00 O
62
+ ATOM 61 CG2 THR A 9 5.866 27.747 22.436 1.00 0.00 C
63
+ ATOM 62 OG1 THR A 9 7.418 29.199 21.302 1.00 0.00 O
64
+ ATOM 63 N ALA A 10 7.759 26.582 25.065 1.00 0.00 N
65
+ ATOM 64 CA ALA A 10 7.601 25.374 25.870 1.00 0.00 C
66
+ ATOM 65 C ALA A 10 6.536 24.456 25.278 1.00 0.00 C
67
+ ATOM 66 CB ALA A 10 7.247 25.735 27.310 1.00 0.00 C
68
+ ATOM 67 O ALA A 10 5.502 24.925 24.795 1.00 0.00 O
69
+ ATOM 68 N ILE A 11 6.770 23.225 25.211 1.00 0.00 N
70
+ ATOM 69 CA ILE A 11 5.796 22.203 24.845 1.00 0.00 C
71
+ ATOM 70 C ILE A 11 5.303 21.487 26.101 1.00 0.00 C
72
+ ATOM 71 CB ILE A 11 6.391 21.184 23.847 1.00 0.00 C
73
+ ATOM 72 O ILE A 11 6.096 20.895 26.837 1.00 0.00 O
74
+ ATOM 73 CG1 ILE A 11 6.963 21.910 22.624 1.00 0.00 C
75
+ ATOM 74 CG2 ILE A 11 5.335 20.156 23.430 1.00 0.00 C
76
+ ATOM 75 CD1 ILE A 11 7.740 21.006 21.676 1.00 0.00 C
77
+ ATOM 76 N PRO A 12 4.005 21.676 26.435 1.00 0.00 N
78
+ ATOM 77 CA PRO A 12 3.485 21.095 27.675 1.00 0.00 C
79
+ ATOM 78 C PRO A 12 3.671 19.581 27.740 1.00 0.00 C
80
+ ATOM 79 CB PRO A 12 1.999 21.461 27.641 1.00 0.00 C
81
+ ATOM 80 O PRO A 12 3.505 18.890 26.731 1.00 0.00 O
82
+ ATOM 81 CG PRO A 12 1.799 22.122 26.315 1.00 0.00 C
83
+ ATOM 82 CD PRO A 12 3.126 22.197 25.615 1.00 0.00 C
84
+ ATOM 83 N ILE A 13 4.197 19.042 28.803 1.00 0.00 N
85
+ ATOM 84 CA ILE A 13 4.349 17.609 29.030 1.00 0.00 C
86
+ ATOM 85 C ILE A 13 3.454 17.172 30.187 1.00 0.00 C
87
+ ATOM 86 CB ILE A 13 5.819 17.236 29.320 1.00 0.00 C
88
+ ATOM 87 O ILE A 13 3.571 16.048 30.682 1.00 0.00 O
89
+ ATOM 88 CG1 ILE A 13 6.432 18.218 30.324 1.00 0.00 C
90
+ ATOM 89 CG2 ILE A 13 6.634 17.200 28.023 1.00 0.00 C
91
+ ATOM 90 CD1 ILE A 13 7.843 17.853 30.765 1.00 0.00 C
92
+ ATOM 91 N GLY A 14 2.531 17.901 30.669 1.00 0.00 N
93
+ ATOM 92 CA GLY A 14 1.595 17.576 31.735 1.00 0.00 C
94
+ ATOM 93 C GLY A 14 0.180 17.353 31.237 1.00 0.00 C
95
+ ATOM 94 O GLY A 14 -0.780 17.492 31.998 1.00 0.00 O
96
+ ATOM 95 N GLY A 15 0.044 16.816 30.044 1.00 0.00 N
97
+ ATOM 96 CA GLY A 15 -1.279 16.832 29.440 1.00 0.00 C
98
+ ATOM 97 C GLY A 15 -1.524 18.052 28.573 1.00 0.00 C
99
+ ATOM 98 O GLY A 15 -0.868 19.083 28.741 1.00 0.00 O
100
+ ATOM 99 N GLY A 16 -1.904 17.828 27.391 1.00 0.00 N
101
+ ATOM 100 CA GLY A 16 -2.246 18.885 26.453 1.00 0.00 C
102
+ ATOM 101 C GLY A 16 -1.701 18.643 25.057 1.00 0.00 C
103
+ ATOM 102 O GLY A 16 -1.314 17.523 24.722 1.00 0.00 O
104
+ ATOM 103 N SER A 17 -1.921 19.644 24.264 1.00 0.00 N
105
+ ATOM 104 CA SER A 17 -1.477 19.583 22.874 1.00 0.00 C
106
+ ATOM 105 C SER A 17 -0.596 20.776 22.522 1.00 0.00 C
107
+ ATOM 106 CB SER A 17 -2.678 19.529 21.930 1.00 0.00 C
108
+ ATOM 107 O SER A 17 -0.703 21.838 23.140 1.00 0.00 O
109
+ ATOM 108 OG SER A 17 -3.400 20.748 21.964 1.00 0.00 O
110
+ ATOM 109 N ALA A 18 0.332 20.512 21.773 1.00 0.00 N
111
+ ATOM 110 CA ALA A 18 1.162 21.583 21.230 1.00 0.00 C
112
+ ATOM 111 C ALA A 18 1.193 21.533 19.705 1.00 0.00 C
113
+ ATOM 112 CB ALA A 18 2.579 21.495 21.790 1.00 0.00 C
114
+ ATOM 113 O ALA A 18 1.033 20.465 19.109 1.00 0.00 O
115
+ ATOM 114 N ASN A 19 1.250 22.746 19.169 1.00 0.00 N
116
+ ATOM 115 CA ASN A 19 1.429 22.852 17.725 1.00 0.00 C
117
+ ATOM 116 C ASN A 19 2.876 23.166 17.360 1.00 0.00 C
118
+ ATOM 117 CB ASN A 19 0.492 23.915 17.146 1.00 0.00 C
119
+ ATOM 118 O ASN A 19 3.473 24.092 17.910 1.00 0.00 O
120
+ ATOM 119 CG ASN A 19 -0.971 23.607 17.402 1.00 0.00 C
121
+ ATOM 120 ND2 ASN A 19 -1.766 24.647 17.618 1.00 0.00 N
122
+ ATOM 121 OD1 ASN A 19 -1.381 22.443 17.406 1.00 0.00 O
123
+ ATOM 122 N VAL A 20 3.437 22.299 16.569 1.00 0.00 N
124
+ ATOM 123 CA VAL A 20 4.801 22.496 16.090 1.00 0.00 C
125
+ ATOM 124 C VAL A 20 4.788 22.760 14.586 1.00 0.00 C
126
+ ATOM 125 CB VAL A 20 5.695 21.277 16.409 1.00 0.00 C
127
+ ATOM 126 O VAL A 20 4.204 21.989 13.819 1.00 0.00 O
128
+ ATOM 127 CG1 VAL A 20 7.119 21.505 15.906 1.00 0.00 C
129
+ ATOM 128 CG2 VAL A 20 5.694 20.993 17.910 1.00 0.00 C
130
+ ATOM 129 N TYR A 21 5.390 23.848 14.224 1.00 0.00 N
131
+ ATOM 130 CA TYR A 21 5.450 24.223 12.816 1.00 0.00 C
132
+ ATOM 131 C TYR A 21 6.841 23.976 12.245 1.00 0.00 C
133
+ ATOM 132 CB TYR A 21 5.066 25.695 12.634 1.00 0.00 C
134
+ ATOM 133 O TYR A 21 7.843 24.405 12.824 1.00 0.00 O
135
+ ATOM 134 CG TYR A 21 3.627 25.993 12.977 1.00 0.00 C
136
+ ATOM 135 CD1 TYR A 21 2.638 25.979 11.995 1.00 0.00 C
137
+ ATOM 136 CD2 TYR A 21 3.251 26.289 14.283 1.00 0.00 C
138
+ ATOM 137 CE1 TYR A 21 1.311 26.255 12.305 1.00 0.00 C
139
+ ATOM 138 CE2 TYR A 21 1.926 26.567 14.605 1.00 0.00 C
140
+ ATOM 139 OH TYR A 21 -0.348 26.820 13.925 1.00 0.00 O
141
+ ATOM 140 CZ TYR A 21 0.965 26.546 13.611 1.00 0.00 C
142
+ ATOM 141 N VAL A 22 6.874 23.283 11.141 1.00 0.00 N
143
+ ATOM 142 CA VAL A 22 8.173 22.897 10.599 1.00 0.00 C
144
+ ATOM 143 C VAL A 22 8.316 23.426 9.174 1.00 0.00 C
145
+ ATOM 144 CB VAL A 22 8.363 21.363 10.620 1.00 0.00 C
146
+ ATOM 145 O VAL A 22 7.336 23.493 8.428 1.00 0.00 O
147
+ ATOM 146 CG1 VAL A 22 8.377 20.841 12.055 1.00 0.00 C
148
+ ATOM 147 CG2 VAL A 22 7.265 20.680 9.808 1.00 0.00 C
149
+ ATOM 148 N ASN A 23 9.475 23.856 8.905 1.00 0.00 N
150
+ ATOM 149 CA ASN A 23 9.839 24.189 7.532 1.00 0.00 C
151
+ ATOM 150 C ASN A 23 10.289 22.953 6.756 1.00 0.00 C
152
+ ATOM 151 CB ASN A 23 10.933 25.257 7.510 1.00 0.00 C
153
+ ATOM 152 O ASN A 23 11.146 22.200 7.223 1.00 0.00 O
154
+ ATOM 153 CG ASN A 23 10.469 26.580 8.087 1.00 0.00 C
155
+ ATOM 154 ND2 ASN A 23 11.308 27.194 8.912 1.00 0.00 N
156
+ ATOM 155 OD1 ASN A 23 9.364 27.046 7.794 1.00 0.00 O
157
+ ATOM 156 N LEU A 24 9.648 22.752 5.655 1.00 0.00 N
158
+ ATOM 157 CA LEU A 24 9.986 21.615 4.805 1.00 0.00 C
159
+ ATOM 158 C LEU A 24 10.715 22.074 3.547 1.00 0.00 C
160
+ ATOM 159 CB LEU A 24 8.724 20.837 4.424 1.00 0.00 C
161
+ ATOM 160 O LEU A 24 10.675 23.257 3.197 1.00 0.00 O
162
+ ATOM 161 CG LEU A 24 7.850 20.351 5.581 1.00 0.00 C
163
+ ATOM 162 CD1 LEU A 24 6.566 19.724 5.049 1.00 0.00 C
164
+ ATOM 163 CD2 LEU A 24 8.618 19.358 6.449 1.00 0.00 C
165
+ ATOM 164 N ALA A 25 11.412 21.124 2.944 1.00 0.00 N
166
+ ATOM 165 CA ALA A 25 11.910 21.420 1.603 1.00 0.00 C
167
+ ATOM 166 C ALA A 25 10.772 21.833 0.675 1.00 0.00 C
168
+ ATOM 167 CB ALA A 25 12.648 20.213 1.030 1.00 0.00 C
169
+ ATOM 168 O ALA A 25 9.743 21.157 0.603 1.00 0.00 O
170
+ ATOM 169 N PRO A 26 11.001 22.904 -0.006 1.00 0.00 N
171
+ ATOM 170 CA PRO A 26 9.861 23.429 -0.763 1.00 0.00 C
172
+ ATOM 171 C PRO A 26 9.509 22.566 -1.973 1.00 0.00 C
173
+ ATOM 172 CB PRO A 26 10.338 24.816 -1.202 1.00 0.00 C
174
+ ATOM 173 O PRO A 26 8.393 22.651 -2.493 1.00 0.00 O
175
+ ATOM 174 CG PRO A 26 11.830 24.743 -1.146 1.00 0.00 C
176
+ ATOM 175 CD PRO A 26 12.220 23.782 -0.058 1.00 0.00 C
177
+ ATOM 176 N VAL A 27 10.513 21.741 -2.349 1.00 0.00 N
178
+ ATOM 177 CA VAL A 27 10.297 20.877 -3.506 1.00 0.00 C
179
+ ATOM 178 C VAL A 27 10.738 19.453 -3.176 1.00 0.00 C
180
+ ATOM 179 CB VAL A 27 11.056 21.395 -4.749 1.00 0.00 C
181
+ ATOM 180 O VAL A 27 11.773 19.248 -2.539 1.00 0.00 O
182
+ ATOM 181 CG1 VAL A 27 10.827 20.471 -5.943 1.00 0.00 C
183
+ ATOM 182 CG2 VAL A 27 10.622 22.821 -5.082 1.00 0.00 C
184
+ ATOM 183 N VAL A 28 9.945 18.507 -3.526 1.00 0.00 N
185
+ ATOM 184 CA VAL A 28 10.333 17.104 -3.426 1.00 0.00 C
186
+ ATOM 185 C VAL A 28 9.878 16.352 -4.675 1.00 0.00 C
187
+ ATOM 186 CB VAL A 28 9.745 16.442 -2.161 1.00 0.00 C
188
+ ATOM 187 O VAL A 28 8.775 16.579 -5.177 1.00 0.00 O
189
+ ATOM 188 CG1 VAL A 28 8.220 16.378 -2.243 1.00 0.00 C
190
+ ATOM 189 CG2 VAL A 28 10.331 15.044 -1.969 1.00 0.00 C
191
+ ATOM 190 N ASN A 29 10.734 15.561 -5.219 1.00 0.00 N
192
+ ATOM 191 CA ASN A 29 10.400 14.776 -6.403 1.00 0.00 C
193
+ ATOM 192 C ASN A 29 9.769 13.438 -6.027 1.00 0.00 C
194
+ ATOM 193 CB ASN A 29 11.642 14.553 -7.268 1.00 0.00 C
195
+ ATOM 194 O ASN A 29 9.963 12.945 -4.915 1.00 0.00 O
196
+ ATOM 195 CG ASN A 29 12.200 15.845 -7.831 1.00 0.00 C
197
+ ATOM 196 ND2 ASN A 29 13.506 16.037 -7.690 1.00 0.00 N
198
+ ATOM 197 OD1 ASN A 29 11.464 16.663 -8.389 1.00 0.00 O
199
+ ATOM 198 N VAL A 30 8.988 12.792 -6.965 1.00 0.00 N
200
+ ATOM 199 CA VAL A 30 8.438 11.454 -6.764 1.00 0.00 C
201
+ ATOM 200 C VAL A 30 9.570 10.466 -6.492 1.00 0.00 C
202
+ ATOM 201 CB VAL A 30 7.609 10.994 -7.983 1.00 0.00 C
203
+ ATOM 202 O VAL A 30 10.599 10.488 -7.171 1.00 0.00 O
204
+ ATOM 203 CG1 VAL A 30 7.194 9.531 -7.831 1.00 0.00 C
205
+ ATOM 204 CG2 VAL A 30 6.381 11.885 -8.161 1.00 0.00 C
206
+ ATOM 205 N GLY A 31 9.377 9.740 -5.425 1.00 0.00 N
207
+ ATOM 206 CA GLY A 31 10.347 8.716 -5.071 1.00 0.00 C
208
+ ATOM 207 C GLY A 31 11.416 9.210 -4.115 1.00 0.00 C
209
+ ATOM 208 O GLY A 31 12.201 8.418 -3.590 1.00 0.00 O
210
+ ATOM 209 N GLN A 32 11.473 10.494 -3.926 1.00 0.00 N
211
+ ATOM 210 CA GLN A 32 12.428 11.089 -2.996 1.00 0.00 C
212
+ ATOM 211 C GLN A 32 11.786 11.345 -1.635 1.00 0.00 C
213
+ ATOM 212 CB GLN A 32 12.991 12.392 -3.564 1.00 0.00 C
214
+ ATOM 213 O GLN A 32 10.580 11.589 -1.548 1.00 0.00 O
215
+ ATOM 214 CG GLN A 32 13.830 12.203 -4.822 1.00 0.00 C
216
+ ATOM 215 CD GLN A 32 14.507 13.482 -5.273 1.00 0.00 C
217
+ ATOM 216 NE2 GLN A 32 15.675 13.349 -5.894 1.00 0.00 N
218
+ ATOM 217 OE1 GLN A 32 13.985 14.583 -5.069 1.00 0.00 O
219
+ ATOM 218 N ASN A 33 12.613 11.293 -0.628 1.00 0.00 N
220
+ ATOM 219 CA ASN A 33 12.085 11.484 0.720 1.00 0.00 C
221
+ ATOM 220 C ASN A 33 11.957 12.964 1.066 1.00 0.00 C
222
+ ATOM 221 CB ASN A 33 12.966 10.772 1.748 1.00 0.00 C
223
+ ATOM 222 O ASN A 33 12.903 13.733 0.886 1.00 0.00 O
224
+ ATOM 223 CG ASN A 33 12.886 9.262 1.639 1.00 0.00 C
225
+ ATOM 224 ND2 ASN A 33 13.962 8.582 2.017 1.00 0.00 N
226
+ ATOM 225 OD1 ASN A 33 11.865 8.711 1.219 1.00 0.00 O
227
+ ATOM 226 N LEU A 34 10.790 13.311 1.394 1.00 0.00 N
228
+ ATOM 227 CA LEU A 34 10.613 14.540 2.159 1.00 0.00 C
229
+ ATOM 228 C LEU A 34 10.864 14.298 3.643 1.00 0.00 C
230
+ ATOM 229 CB LEU A 34 9.204 15.102 1.952 1.00 0.00 C
231
+ ATOM 230 O LEU A 34 10.161 13.507 4.275 1.00 0.00 O
232
+ ATOM 231 CG LEU A 34 8.869 16.387 2.710 1.00 0.00 C
233
+ ATOM 232 CD1 LEU A 34 9.711 17.546 2.187 1.00 0.00 C
234
+ ATOM 233 CD2 LEU A 34 7.382 16.705 2.594 1.00 0.00 C
235
+ ATOM 234 N VAL A 35 11.870 14.944 4.166 1.00 0.00 N
236
+ ATOM 235 CA VAL A 35 12.256 14.711 5.554 1.00 0.00 C
237
+ ATOM 236 C VAL A 35 11.657 15.795 6.447 1.00 0.00 C
238
+ ATOM 237 CB VAL A 35 13.792 14.675 5.717 1.00 0.00 C
239
+ ATOM 238 O VAL A 35 11.853 16.988 6.203 1.00 0.00 O
240
+ ATOM 239 CG1 VAL A 35 14.174 14.398 7.170 1.00 0.00 C
241
+ ATOM 240 CG2 VAL A 35 14.402 13.624 4.792 1.00 0.00 C
242
+ ATOM 241 N VAL A 36 10.889 15.360 7.348 1.00 0.00 N
243
+ ATOM 242 CA VAL A 36 10.448 16.214 8.446 1.00 0.00 C
244
+ ATOM 243 C VAL A 36 11.262 15.904 9.701 1.00 0.00 C
245
+ ATOM 244 CB VAL A 36 8.940 16.035 8.733 1.00 0.00 C
246
+ ATOM 245 O VAL A 36 10.980 14.934 10.408 1.00 0.00 O
247
+ ATOM 246 CG1 VAL A 36 8.471 17.031 9.792 1.00 0.00 C
248
+ ATOM 247 CG2 VAL A 36 8.130 16.195 7.447 1.00 0.00 C
249
+ ATOM 248 N ASP A 37 12.289 16.731 9.911 1.00 0.00 N
250
+ ATOM 249 CA ASP A 37 13.236 16.510 11.000 1.00 0.00 C
251
+ ATOM 250 C ASP A 37 12.814 17.268 12.257 1.00 0.00 C
252
+ ATOM 251 CB ASP A 37 14.646 16.932 10.579 1.00 0.00 C
253
+ ATOM 252 O ASP A 37 12.985 18.485 12.340 1.00 0.00 O
254
+ ATOM 253 CG ASP A 37 15.713 16.510 11.574 1.00 0.00 C
255
+ ATOM 254 OD1 ASP A 37 15.368 15.946 12.635 1.00 0.00 O
256
+ ATOM 255 OD2 ASP A 37 16.908 16.744 11.295 1.00 0.00 O
257
+ ATOM 256 N LEU A 38 12.355 16.550 13.157 1.00 0.00 N
258
+ ATOM 257 CA LEU A 38 11.865 17.190 14.373 1.00 0.00 C
259
+ ATOM 258 C LEU A 38 13.000 17.409 15.367 1.00 0.00 C
260
+ ATOM 259 CB LEU A 38 10.762 16.344 15.017 1.00 0.00 C
261
+ ATOM 260 O LEU A 38 12.827 18.103 16.371 1.00 0.00 O
262
+ ATOM 261 CG LEU A 38 9.512 16.101 14.170 1.00 0.00 C
263
+ ATOM 262 CD1 LEU A 38 8.488 15.291 14.958 1.00 0.00 C
264
+ ATOM 263 CD2 LEU A 38 8.914 17.424 13.706 1.00 0.00 C
265
+ ATOM 264 N SER A 39 14.147 16.777 15.151 1.00 0.00 N
266
+ ATOM 265 CA SER A 39 15.290 16.932 16.044 1.00 0.00 C
267
+ ATOM 266 C SER A 39 15.832 18.357 16.007 1.00 0.00 C
268
+ ATOM 267 CB SER A 39 16.398 15.946 15.672 1.00 0.00 C
269
+ ATOM 268 O SER A 39 16.523 18.788 16.934 1.00 0.00 O
270
+ ATOM 269 OG SER A 39 16.998 16.305 14.439 1.00 0.00 O
271
+ ATOM 270 N THR A 40 15.495 19.031 14.993 1.00 0.00 N
272
+ ATOM 271 CA THR A 40 15.968 20.407 14.903 1.00 0.00 C
273
+ ATOM 272 C THR A 40 14.922 21.375 15.448 1.00 0.00 C
274
+ ATOM 273 CB THR A 40 16.313 20.785 13.450 1.00 0.00 C
275
+ ATOM 274 O THR A 40 15.164 22.582 15.520 1.00 0.00 O
276
+ ATOM 275 CG2 THR A 40 17.408 19.881 12.893 1.00 0.00 C
277
+ ATOM 276 OG1 THR A 40 15.141 20.654 12.637 1.00 0.00 O
278
+ ATOM 277 N GLN A 41 13.811 20.837 15.856 1.00 0.00 N
279
+ ATOM 278 CA GLN A 41 12.686 21.696 16.212 1.00 0.00 C
280
+ ATOM 279 C GLN A 41 12.320 21.542 17.685 1.00 0.00 C
281
+ ATOM 280 CB GLN A 41 11.474 21.384 15.333 1.00 0.00 C
282
+ ATOM 281 O GLN A 41 11.776 22.465 18.294 1.00 0.00 O
283
+ ATOM 282 CG GLN A 41 11.713 21.617 13.847 1.00 0.00 C
284
+ ATOM 283 CD GLN A 41 12.013 23.067 13.522 1.00 0.00 C
285
+ ATOM 284 NE2 GLN A 41 12.834 23.289 12.501 1.00 0.00 N
286
+ ATOM 285 OE1 GLN A 41 11.512 23.983 14.183 1.00 0.00 O
287
+ ATOM 286 N ILE A 42 12.618 20.402 18.159 1.00 0.00 N
288
+ ATOM 287 CA ILE A 42 12.191 20.084 19.517 1.00 0.00 C
289
+ ATOM 288 C ILE A 42 13.399 19.668 20.354 1.00 0.00 C
290
+ ATOM 289 CB ILE A 42 11.123 18.968 19.528 1.00 0.00 C
291
+ ATOM 290 O ILE A 42 14.215 18.854 19.916 1.00 0.00 O
292
+ ATOM 291 CG1 ILE A 42 9.889 19.403 18.729 1.00 0.00 C
293
+ ATOM 292 CG2 ILE A 42 10.742 18.597 20.964 1.00 0.00 C
294
+ ATOM 293 CD1 ILE A 42 8.851 18.304 18.546 1.00 0.00 C
295
+ ATOM 294 N PHE A 43 13.391 20.254 21.533 1.00 0.00 N
296
+ ATOM 295 CA PHE A 43 14.448 19.968 22.498 1.00 0.00 C
297
+ ATOM 296 C PHE A 43 13.857 19.606 23.855 1.00 0.00 C
298
+ ATOM 297 CB PHE A 43 15.389 21.168 22.637 1.00 0.00 C
299
+ ATOM 298 O PHE A 43 12.954 20.286 24.347 1.00 0.00 O
300
+ ATOM 299 CG PHE A 43 16.092 21.539 21.359 1.00 0.00 C
301
+ ATOM 300 CD1 PHE A 43 17.358 21.042 21.075 1.00 0.00 C
302
+ ATOM 301 CD2 PHE A 43 15.486 22.387 20.442 1.00 0.00 C
303
+ ATOM 302 CE1 PHE A 43 18.011 21.385 19.894 1.00 0.00 C
304
+ ATOM 303 CE2 PHE A 43 16.131 22.735 19.258 1.00 0.00 C
305
+ ATOM 304 CZ PHE A 43 17.394 22.232 18.987 1.00 0.00 C
306
+ ATOM 305 N CYS A 44 14.444 18.562 24.398 1.00 0.00 N
307
+ ATOM 306 CA CYS A 44 13.902 18.077 25.663 1.00 0.00 C
308
+ ATOM 307 C CYS A 44 15.010 17.872 26.689 1.00 0.00 C
309
+ ATOM 308 CB CYS A 44 13.140 16.769 25.454 1.00 0.00 C
310
+ ATOM 309 O CYS A 44 16.171 17.675 26.324 1.00 0.00 O
311
+ ATOM 310 SG CYS A 44 11.772 16.904 24.281 1.00 0.00 S
312
+ ATOM 311 N HIS A 45 14.659 18.032 27.939 1.00 0.00 N
313
+ ATOM 312 CA HIS A 45 15.546 17.707 29.049 1.00 0.00 C
314
+ ATOM 313 C HIS A 45 14.792 16.995 30.168 1.00 0.00 C
315
+ ATOM 314 CB HIS A 45 16.215 18.973 29.589 1.00 0.00 C
316
+ ATOM 315 O HIS A 45 13.570 17.123 30.277 1.00 0.00 O
317
+ ATOM 316 CG HIS A 45 15.271 19.898 30.289 1.00 0.00 C
318
+ ATOM 317 CD2 HIS A 45 14.879 19.956 31.584 1.00 0.00 C
319
+ ATOM 318 ND1 HIS A 45 14.607 20.916 29.638 1.00 0.00 N
320
+ ATOM 319 CE1 HIS A 45 13.846 21.562 30.506 1.00 0.00 C
321
+ ATOM 320 NE2 HIS A 45 13.992 20.999 31.693 1.00 0.00 N
322
+ ATOM 321 N ASN A 46 15.498 16.138 30.861 1.00 0.00 N
323
+ ATOM 322 CA ASN A 46 14.993 15.424 32.029 1.00 0.00 C
324
+ ATOM 323 C ASN A 46 15.731 15.835 33.300 1.00 0.00 C
325
+ ATOM 324 CB ASN A 46 15.098 13.912 31.819 1.00 0.00 C
326
+ ATOM 325 O ASN A 46 16.934 15.600 33.427 1.00 0.00 O
327
+ ATOM 326 CG ASN A 46 14.436 13.121 32.931 1.00 0.00 C
328
+ ATOM 327 ND2 ASN A 46 14.667 11.814 32.947 1.00 0.00 N
329
+ ATOM 328 OD1 ASN A 46 13.722 13.680 33.767 1.00 0.00 O
330
+ ATOM 329 N ASP A 47 14.940 16.569 34.124 1.00 0.00 N
331
+ ATOM 330 CA ASP A 47 15.520 17.050 35.374 1.00 0.00 C
332
+ ATOM 331 C ASP A 47 15.492 15.963 36.447 1.00 0.00 C
333
+ ATOM 332 CB ASP A 47 14.779 18.295 35.867 1.00 0.00 C
334
+ ATOM 333 O ASP A 47 15.948 16.181 37.571 1.00 0.00 O
335
+ ATOM 334 CG ASP A 47 15.019 19.512 34.992 1.00 0.00 C
336
+ ATOM 335 OD1 ASP A 47 16.099 19.615 34.372 1.00 0.00 O
337
+ ATOM 336 OD2 ASP A 47 14.121 20.380 34.926 1.00 0.00 O
338
+ ATOM 337 N TYR A 48 14.810 14.844 36.133 1.00 0.00 N
339
+ ATOM 338 CA TYR A 48 14.681 13.791 37.134 1.00 0.00 C
340
+ ATOM 339 C TYR A 48 15.765 12.734 36.956 1.00 0.00 C
341
+ ATOM 340 CB TYR A 48 13.298 13.138 37.053 1.00 0.00 C
342
+ ATOM 341 O TYR A 48 16.282 12.546 35.852 1.00 0.00 O
343
+ ATOM 342 CG TYR A 48 12.162 14.081 37.368 1.00 0.00 C
344
+ ATOM 343 CD1 TYR A 48 11.825 14.380 38.686 1.00 0.00 C
345
+ ATOM 344 CD2 TYR A 48 11.425 14.674 36.350 1.00 0.00 C
346
+ ATOM 345 CE1 TYR A 48 10.778 15.248 38.982 1.00 0.00 C
347
+ ATOM 346 CE2 TYR A 48 10.375 15.542 36.633 1.00 0.00 C
348
+ ATOM 347 OH TYR A 48 9.023 16.682 38.236 1.00 0.00 O
349
+ ATOM 348 CZ TYR A 48 10.060 15.823 37.950 1.00 0.00 C
350
+ ATOM 349 N PRO A 49 16.437 12.222 38.036 1.00 0.00 N
351
+ ATOM 350 CA PRO A 49 17.453 11.171 37.924 1.00 0.00 C
352
+ ATOM 351 C PRO A 49 16.909 9.888 37.298 1.00 0.00 C
353
+ ATOM 352 CB PRO A 49 17.876 10.934 39.375 1.00 0.00 C
354
+ ATOM 353 O PRO A 49 17.682 9.000 36.931 1.00 0.00 O
355
+ ATOM 354 CG PRO A 49 16.810 11.586 40.195 1.00 0.00 C
356
+ ATOM 355 CD PRO A 49 16.038 12.525 39.314 1.00 0.00 C
357
+ ATOM 356 N GLU A 50 15.633 9.724 37.255 1.00 0.00 N
358
+ ATOM 357 CA GLU A 50 15.071 8.431 36.881 1.00 0.00 C
359
+ ATOM 358 C GLU A 50 14.860 8.336 35.372 1.00 0.00 C
360
+ ATOM 359 CB GLU A 50 13.749 8.187 37.613 1.00 0.00 C
361
+ ATOM 360 O GLU A 50 14.731 9.357 34.693 1.00 0.00 O
362
+ ATOM 361 CG GLU A 50 13.864 8.254 39.128 1.00 0.00 C
363
+ ATOM 362 CD GLU A 50 12.541 8.019 39.841 1.00 0.00 C
364
+ ATOM 363 OE1 GLU A 50 11.520 7.775 39.161 1.00 0.00 O
365
+ ATOM 364 OE2 GLU A 50 12.527 8.082 41.091 1.00 0.00 O
366
+ ATOM 365 N THR A 51 15.045 6.979 34.910 1.00 0.00 N
367
+ ATOM 366 CA THR A 51 14.794 6.681 33.505 1.00 0.00 C
368
+ ATOM 367 C THR A 51 13.318 6.875 33.167 1.00 0.00 C
369
+ ATOM 368 CB THR A 51 15.218 5.243 33.153 1.00 0.00 C
370
+ ATOM 369 O THR A 51 12.441 6.418 33.904 1.00 0.00 O
371
+ ATOM 370 CG2 THR A 51 15.093 4.984 31.655 1.00 0.00 C
372
+ ATOM 371 OG1 THR A 51 16.581 5.043 33.549 1.00 0.00 O
373
+ ATOM 372 N ILE A 52 12.980 7.697 32.364 1.00 0.00 N
374
+ ATOM 373 CA ILE A 52 11.638 7.888 31.824 1.00 0.00 C
375
+ ATOM 374 C ILE A 52 11.519 7.183 30.475 1.00 0.00 C
376
+ ATOM 375 CB ILE A 52 11.296 9.387 31.677 1.00 0.00 C
377
+ ATOM 376 O ILE A 52 12.445 7.228 29.660 1.00 0.00 O
378
+ ATOM 377 CG1 ILE A 52 11.316 10.077 33.046 1.00 0.00 C
379
+ ATOM 378 CG2 ILE A 52 9.937 9.567 30.992 1.00 0.00 C
380
+ ATOM 379 CD1 ILE A 52 11.163 11.590 32.979 1.00 0.00 C
381
+ ATOM 380 N THR A 53 10.396 6.330 30.380 1.00 0.00 N
382
+ ATOM 381 CA THR A 53 10.147 5.675 29.101 1.00 0.00 C
383
+ ATOM 382 C THR A 53 8.999 6.353 28.361 1.00 0.00 C
384
+ ATOM 383 CB THR A 53 9.827 4.181 29.291 1.00 0.00 C
385
+ ATOM 384 O THR A 53 7.912 6.529 28.917 1.00 0.00 O
386
+ ATOM 385 CG2 THR A 53 9.712 3.467 27.948 1.00 0.00 C
387
+ ATOM 386 OG1 THR A 53 10.872 3.568 30.057 1.00 0.00 O
388
+ ATOM 387 N ASP A 54 9.318 6.784 27.206 1.00 0.00 N
389
+ ATOM 388 CA ASP A 54 8.297 7.369 26.341 1.00 0.00 C
390
+ ATOM 389 C ASP A 54 7.837 6.370 25.281 1.00 0.00 C
391
+ ATOM 390 CB ASP A 54 8.824 8.640 25.673 1.00 0.00 C
392
+ ATOM 391 O ASP A 54 8.635 5.572 24.785 1.00 0.00 O
393
+ ATOM 392 CG ASP A 54 8.994 9.794 26.645 1.00 0.00 C
394
+ ATOM 393 OD1 ASP A 54 8.331 9.802 27.705 1.00 0.00 O
395
+ ATOM 394 OD2 ASP A 54 9.795 10.705 26.347 1.00 0.00 O
396
+ ATOM 395 N TYR A 55 6.521 6.358 25.149 1.00 0.00 N
397
+ ATOM 396 CA TYR A 55 5.919 5.627 24.040 1.00 0.00 C
398
+ ATOM 397 C TYR A 55 5.305 6.586 23.026 1.00 0.00 C
399
+ ATOM 398 CB TYR A 55 4.851 4.656 24.553 1.00 0.00 C
400
+ ATOM 399 O TYR A 55 4.635 7.551 23.401 1.00 0.00 O
401
+ ATOM 400 CG TYR A 55 5.379 3.634 25.531 1.00 0.00 C
402
+ ATOM 401 CD1 TYR A 55 5.832 2.392 25.092 1.00 0.00 C
403
+ ATOM 402 CD2 TYR A 55 5.427 3.909 26.893 1.00 0.00 C
404
+ ATOM 403 CE1 TYR A 55 6.317 1.446 25.989 1.00 0.00 C
405
+ ATOM 404 CE2 TYR A 55 5.911 2.971 27.799 1.00 0.00 C
406
+ ATOM 405 OH TYR A 55 6.834 0.813 28.231 1.00 0.00 O
407
+ ATOM 406 CZ TYR A 55 6.354 1.744 27.338 1.00 0.00 C
408
+ ATOM 407 N VAL A 56 5.759 6.368 21.821 1.00 0.00 N
409
+ ATOM 408 CA VAL A 56 5.286 7.305 20.807 1.00 0.00 C
410
+ ATOM 409 C VAL A 56 4.401 6.575 19.800 1.00 0.00 C
411
+ ATOM 410 CB VAL A 56 6.461 7.998 20.082 1.00 0.00 C
412
+ ATOM 411 O VAL A 56 4.757 5.496 19.321 1.00 0.00 O
413
+ ATOM 412 CG1 VAL A 56 5.946 8.919 18.978 1.00 0.00 C
414
+ ATOM 413 CG2 VAL A 56 7.317 8.778 21.078 1.00 0.00 C
415
+ ATOM 414 N THR A 57 3.263 7.101 19.633 1.00 0.00 N
416
+ ATOM 415 CA THR A 57 2.395 6.723 18.522 1.00 0.00 C
417
+ ATOM 416 C THR A 57 2.273 7.865 17.517 1.00 0.00 C
418
+ ATOM 417 CB THR A 57 0.994 6.321 19.019 1.00 0.00 C
419
+ ATOM 418 O THR A 57 2.065 9.018 17.902 1.00 0.00 O
420
+ ATOM 419 CG2 THR A 57 0.113 5.857 17.864 1.00 0.00 C
421
+ ATOM 420 OG1 THR A 57 1.119 5.256 19.969 1.00 0.00 O
422
+ ATOM 421 N LEU A 58 2.520 7.490 16.326 1.00 0.00 N
423
+ ATOM 422 CA LEU A 58 2.405 8.502 15.282 1.00 0.00 C
424
+ ATOM 423 C LEU A 58 1.199 8.227 14.388 1.00 0.00 C
425
+ ATOM 424 CB LEU A 58 3.679 8.547 14.436 1.00 0.00 C
426
+ ATOM 425 O LEU A 58 1.031 7.112 13.891 1.00 0.00 O
427
+ ATOM 426 CG LEU A 58 4.889 9.237 15.070 1.00 0.00 C
428
+ ATOM 427 CD1 LEU A 58 5.953 8.208 15.439 1.00 0.00 C
429
+ ATOM 428 CD2 LEU A 58 5.461 10.289 14.125 1.00 0.00 C
430
+ ATOM 429 N GLN A 59 0.391 9.197 14.329 1.00 0.00 N
431
+ ATOM 430 CA GLN A 59 -0.806 9.094 13.500 1.00 0.00 C
432
+ ATOM 431 C GLN A 59 -0.753 10.076 12.333 1.00 0.00 C
433
+ ATOM 432 CB GLN A 59 -2.062 9.338 14.337 1.00 0.00 C
434
+ ATOM 433 O GLN A 59 -0.105 11.121 12.424 1.00 0.00 O
435
+ ATOM 434 CG GLN A 59 -2.290 8.296 15.423 1.00 0.00 C
436
+ ATOM 435 CD GLN A 59 -3.560 8.540 16.214 1.00 0.00 C
437
+ ATOM 436 NE2 GLN A 59 -3.892 7.613 17.106 1.00 0.00 N
438
+ ATOM 437 OE1 GLN A 59 -4.241 9.554 16.025 1.00 0.00 O
439
+ ATOM 438 N ARG A 60 -1.387 9.688 11.222 1.00 0.00 N
440
+ ATOM 439 CA ARG A 60 -1.464 10.547 10.044 1.00 0.00 C
441
+ ATOM 440 C ARG A 60 -2.319 11.779 10.321 1.00 0.00 C
442
+ ATOM 441 CB ARG A 60 -2.031 9.775 8.851 1.00 0.00 C
443
+ ATOM 442 O ARG A 60 -3.342 11.691 11.003 1.00 0.00 O
444
+ ATOM 443 CG ARG A 60 -1.047 8.797 8.228 1.00 0.00 C
445
+ ATOM 444 CD ARG A 60 -1.626 8.126 6.989 1.00 0.00 C
446
+ ATOM 445 NE ARG A 60 -0.705 7.143 6.428 1.00 0.00 N
447
+ ATOM 446 NH1 ARG A 60 -2.045 6.610 4.624 1.00 0.00 N
448
+ ATOM 447 NH2 ARG A 60 -0.018 5.576 4.896 1.00 0.00 N
449
+ ATOM 448 CZ ARG A 60 -0.924 6.445 5.318 1.00 0.00 C
450
+ ATOM 449 N GLY A 61 -1.809 12.893 9.832 1.00 0.00 N
451
+ ATOM 450 CA GLY A 61 -2.602 14.112 9.842 1.00 0.00 C
452
+ ATOM 451 C GLY A 61 -3.439 14.289 8.589 1.00 0.00 C
453
+ ATOM 452 O GLY A 61 -3.548 13.370 7.774 1.00 0.00 O
454
+ ATOM 453 N SER A 62 -4.147 15.384 8.559 1.00 0.00 N
455
+ ATOM 454 CA SER A 62 -5.087 15.675 7.483 1.00 0.00 C
456
+ ATOM 455 C SER A 62 -4.362 16.143 6.225 1.00 0.00 C
457
+ ATOM 456 CB SER A 62 -6.097 16.737 7.924 1.00 0.00 C
458
+ ATOM 457 O SER A 62 -4.989 16.368 5.188 1.00 0.00 O
459
+ ATOM 458 OG SER A 62 -5.434 17.920 8.334 1.00 0.00 O
460
+ ATOM 459 N ALA A 63 -3.114 16.437 6.300 1.00 0.00 N
461
+ ATOM 460 CA ALA A 63 -2.362 16.917 5.143 1.00 0.00 C
462
+ ATOM 461 C ALA A 63 -2.314 15.859 4.043 1.00 0.00 C
463
+ ATOM 462 CB ALA A 63 -0.947 17.314 5.556 1.00 0.00 C
464
+ ATOM 463 O ALA A 63 -1.937 16.153 2.907 1.00 0.00 O
465
+ ATOM 464 N TYR A 64 -2.639 14.714 4.407 1.00 0.00 N
466
+ ATOM 465 CA TYR A 64 -2.341 13.659 3.444 1.00 0.00 C
467
+ ATOM 466 C TYR A 64 -3.548 13.371 2.560 1.00 0.00 C
468
+ ATOM 467 CB TYR A 64 -1.904 12.382 4.165 1.00 0.00 C
469
+ ATOM 468 O TYR A 64 -3.543 12.411 1.786 1.00 0.00 O
470
+ ATOM 469 CG TYR A 64 -0.658 12.550 5.000 1.00 0.00 C
471
+ ATOM 470 CD1 TYR A 64 0.607 12.489 4.418 1.00 0.00 C
472
+ ATOM 471 CD2 TYR A 64 -0.741 12.770 6.371 1.00 0.00 C
473
+ ATOM 472 CE1 TYR A 64 1.758 12.642 5.183 1.00 0.00 C
474
+ ATOM 473 CE2 TYR A 64 0.404 12.924 7.145 1.00 0.00 C
475
+ ATOM 474 OH TYR A 64 2.783 13.011 7.305 1.00 0.00 O
476
+ ATOM 475 CZ TYR A 64 1.646 12.859 6.543 1.00 0.00 C
477
+ ATOM 476 N GLY A 65 -4.394 14.159 2.541 1.00 0.00 N
478
+ ATOM 477 CA GLY A 65 -5.358 14.176 1.452 1.00 0.00 C
479
+ ATOM 478 C GLY A 65 -4.776 14.693 0.149 1.00 0.00 C
480
+ ATOM 479 O GLY A 65 -3.601 15.059 0.090 1.00 0.00 O
481
+ ATOM 480 N GLY A 66 -5.313 14.186 -0.976 1.00 0.00 N
482
+ ATOM 481 CA GLY A 66 -4.883 14.600 -2.302 1.00 0.00 C
483
+ ATOM 482 C GLY A 66 -3.597 13.932 -2.749 1.00 0.00 C
484
+ ATOM 483 O GLY A 66 -3.518 12.704 -2.811 1.00 0.00 O
485
+ ATOM 484 N VAL A 67 -2.462 14.888 -3.123 1.00 0.00 N
486
+ ATOM 485 CA VAL A 67 -1.193 14.425 -3.673 1.00 0.00 C
487
+ ATOM 486 C VAL A 67 -0.395 13.699 -2.592 1.00 0.00 C
488
+ ATOM 487 CB VAL A 67 -0.365 15.595 -4.251 1.00 0.00 C
489
+ ATOM 488 O VAL A 67 0.477 12.882 -2.898 1.00 0.00 O
490
+ ATOM 489 CG1 VAL A 67 0.582 15.100 -5.343 1.00 0.00 C
491
+ ATOM 490 CG2 VAL A 67 -1.289 16.684 -4.793 1.00 0.00 C
492
+ ATOM 491 N LEU A 68 -0.679 13.882 -1.338 1.00 0.00 N
493
+ ATOM 492 CA LEU A 68 0.003 13.072 -0.335 1.00 0.00 C
494
+ ATOM 493 C LEU A 68 -0.910 11.964 0.180 1.00 0.00 C
495
+ ATOM 494 CB LEU A 68 0.472 13.945 0.831 1.00 0.00 C
496
+ ATOM 495 O LEU A 68 -0.618 11.337 1.201 1.00 0.00 O
497
+ ATOM 496 CG LEU A 68 1.697 14.824 0.570 1.00 0.00 C
498
+ ATOM 497 CD1 LEU A 68 1.845 15.866 1.673 1.00 0.00 C
499
+ ATOM 498 CD2 LEU A 68 2.955 13.969 0.463 1.00 0.00 C
500
+ ATOM 499 N SER A 69 -2.114 11.897 -0.513 1.00 0.00 N
501
+ ATOM 500 CA SER A 69 -2.902 10.707 -0.207 1.00 0.00 C
502
+ ATOM 501 C SER A 69 -2.101 9.434 -0.458 1.00 0.00 C
503
+ ATOM 502 CB SER A 69 -4.185 10.685 -1.039 1.00 0.00 C
504
+ ATOM 503 O SER A 69 -2.401 8.382 0.110 1.00 0.00 O
505
+ ATOM 504 OG SER A 69 -3.893 10.842 -2.416 1.00 0.00 O
506
+ ATOM 505 N ASN A 70 -0.979 9.640 -1.126 1.00 0.00 N
507
+ ATOM 506 CA ASN A 70 -0.184 8.469 -1.481 1.00 0.00 C
508
+ ATOM 507 C ASN A 70 1.290 8.668 -1.142 1.00 0.00 C
509
+ ATOM 508 CB ASN A 70 -0.347 8.141 -2.967 1.00 0.00 C
510
+ ATOM 509 O ASN A 70 2.060 9.161 -1.967 1.00 0.00 O
511
+ ATOM 510 CG ASN A 70 -1.648 7.424 -3.268 1.00 0.00 C
512
+ ATOM 511 ND2 ASN A 70 -2.022 7.381 -4.542 1.00 0.00 N
513
+ ATOM 512 OD1 ASN A 70 -2.313 6.912 -2.362 1.00 0.00 O
514
+ ATOM 513 N PHE A 71 1.675 8.784 0.073 1.00 0.00 N
515
+ ATOM 514 CA PHE A 71 3.076 8.738 0.470 1.00 0.00 C
516
+ ATOM 515 C PHE A 71 3.363 7.495 1.305 1.00 0.00 C
517
+ ATOM 516 CB PHE A 71 3.455 9.997 1.256 1.00 0.00 C
518
+ ATOM 517 O PHE A 71 2.460 6.950 1.945 1.00 0.00 O
519
+ ATOM 518 CG PHE A 71 2.774 10.105 2.594 1.00 0.00 C
520
+ ATOM 519 CD1 PHE A 71 1.532 10.717 2.711 1.00 0.00 C
521
+ ATOM 520 CD2 PHE A 71 3.377 9.594 3.737 1.00 0.00 C
522
+ ATOM 521 CE1 PHE A 71 0.900 10.818 3.946 1.00 0.00 C
523
+ ATOM 522 CE2 PHE A 71 2.751 9.692 4.976 1.00 0.00 C
524
+ ATOM 523 CZ PHE A 71 1.513 10.306 5.079 1.00 0.00 C
525
+ ATOM 524 N SER A 72 4.510 6.878 1.031 1.00 0.00 N
526
+ ATOM 525 CA SER A 72 5.049 5.935 2.005 1.00 0.00 C
527
+ ATOM 526 C SER A 72 5.902 6.646 3.050 1.00 0.00 C
528
+ ATOM 527 CB SER A 72 5.877 4.856 1.306 1.00 0.00 C
529
+ ATOM 528 O SER A 72 6.589 7.622 2.738 1.00 0.00 O
530
+ ATOM 529 OG SER A 72 7.013 5.423 0.677 1.00 0.00 O
531
+ ATOM 530 N GLY A 73 5.580 6.388 4.263 1.00 0.00 N
532
+ ATOM 531 CA GLY A 73 6.303 7.097 5.307 1.00 0.00 C
533
+ ATOM 532 C GLY A 73 6.966 6.169 6.308 1.00 0.00 C
534
+ ATOM 533 O GLY A 73 6.543 5.024 6.477 1.00 0.00 O
535
+ ATOM 534 N THR A 74 8.088 6.515 6.678 1.00 0.00 N
536
+ ATOM 535 CA THR A 74 8.862 5.875 7.735 1.00 0.00 C
537
+ ATOM 536 C THR A 74 9.199 6.872 8.840 1.00 0.00 C
538
+ ATOM 537 CB THR A 74 10.161 5.259 7.183 1.00 0.00 C
539
+ ATOM 538 O THR A 74 9.410 8.056 8.570 1.00 0.00 O
540
+ ATOM 539 CG2 THR A 74 10.938 4.538 8.278 1.00 0.00 C
541
+ ATOM 540 OG1 THR A 74 9.836 4.322 6.147 1.00 0.00 O
542
+ ATOM 541 N VAL A 75 9.081 6.377 10.033 1.00 0.00 N
543
+ ATOM 542 CA VAL A 75 9.531 7.173 11.169 1.00 0.00 C
544
+ ATOM 543 C VAL A 75 10.857 6.623 11.693 1.00 0.00 C
545
+ ATOM 544 CB VAL A 75 8.478 7.193 12.300 1.00 0.00 C
546
+ ATOM 545 O VAL A 75 10.968 5.430 11.986 1.00 0.00 O
547
+ ATOM 546 CG1 VAL A 75 8.967 8.035 13.477 1.00 0.00 C
548
+ ATOM 547 CG2 VAL A 75 7.144 7.724 11.777 1.00 0.00 C
549
+ ATOM 548 N LYS A 76 11.835 7.472 11.611 1.00 0.00 N
550
+ ATOM 549 CA LYS A 76 13.069 7.128 12.313 1.00 0.00 C
551
+ ATOM 550 C LYS A 76 13.088 7.729 13.715 1.00 0.00 C
552
+ ATOM 551 CB LYS A 76 14.288 7.604 11.522 1.00 0.00 C
553
+ ATOM 552 O LYS A 76 12.971 8.946 13.877 1.00 0.00 O
554
+ ATOM 553 CG LYS A 76 14.505 6.861 10.212 1.00 0.00 C
555
+ ATOM 554 CD LYS A 76 15.843 7.219 9.581 1.00 0.00 C
556
+ ATOM 555 CE LYS A 76 16.060 6.480 8.267 1.00 0.00 C
557
+ ATOM 556 NZ LYS A 76 17.337 6.884 7.608 1.00 0.00 N
558
+ ATOM 557 N TYR A 77 13.028 6.834 14.560 1.00 0.00 N
559
+ ATOM 558 CA TYR A 77 13.021 7.220 15.966 1.00 0.00 C
560
+ ATOM 559 C TYR A 77 14.167 6.558 16.720 1.00 0.00 C
561
+ ATOM 560 CB TYR A 77 11.685 6.851 16.618 1.00 0.00 C
562
+ ATOM 561 O TYR A 77 14.266 5.329 16.757 1.00 0.00 O
563
+ ATOM 562 CG TYR A 77 11.499 7.439 17.996 1.00 0.00 C
564
+ ATOM 563 CD1 TYR A 77 11.053 6.652 19.056 1.00 0.00 C
565
+ ATOM 564 CD2 TYR A 77 11.768 8.781 18.241 1.00 0.00 C
566
+ ATOM 565 CE1 TYR A 77 10.878 7.190 20.327 1.00 0.00 C
567
+ ATOM 566 CE2 TYR A 77 11.596 9.329 19.507 1.00 0.00 C
568
+ ATOM 567 OH TYR A 77 10.981 9.064 21.799 1.00 0.00 O
569
+ ATOM 568 CZ TYR A 77 11.153 8.527 20.543 1.00 0.00 C
570
+ ATOM 569 N SER A 78 15.048 7.383 17.374 1.00 0.00 N
571
+ ATOM 570 CA SER A 78 16.210 6.901 18.113 1.00 0.00 C
572
+ ATOM 571 C SER A 78 16.979 5.856 17.312 1.00 0.00 C
573
+ ATOM 572 CB SER A 78 15.784 6.313 19.459 1.00 0.00 C
574
+ ATOM 573 O SER A 78 17.340 4.802 17.843 1.00 0.00 O
575
+ ATOM 574 OG SER A 78 16.886 6.242 20.347 1.00 0.00 O
576
+ ATOM 575 N GLY A 79 17.175 6.064 16.040 1.00 0.00 N
577
+ ATOM 576 CA GLY A 79 17.974 5.229 15.158 1.00 0.00 C
578
+ ATOM 577 C GLY A 79 17.197 4.065 14.572 1.00 0.00 C
579
+ ATOM 578 O GLY A 79 17.692 3.362 13.688 1.00 0.00 O
580
+ ATOM 579 N SER A 80 16.035 3.762 15.115 1.00 0.00 N
581
+ ATOM 580 CA SER A 80 15.207 2.677 14.597 1.00 0.00 C
582
+ ATOM 581 C SER A 80 14.138 3.204 13.645 1.00 0.00 C
583
+ ATOM 582 CB SER A 80 14.548 1.912 15.744 1.00 0.00 C
584
+ ATOM 583 O SER A 80 13.700 4.350 13.768 1.00 0.00 O
585
+ ATOM 584 OG SER A 80 15.526 1.332 16.591 1.00 0.00 O
586
+ ATOM 585 N SER A 81 13.790 2.320 12.636 1.00 0.00 N
587
+ ATOM 586 CA SER A 81 12.804 2.710 11.634 1.00 0.00 C
588
+ ATOM 587 C SER A 81 11.477 1.992 11.853 1.00 0.00 C
589
+ ATOM 588 CB SER A 81 13.325 2.417 10.226 1.00 0.00 C
590
+ ATOM 589 O SER A 81 11.453 0.790 12.125 1.00 0.00 O
591
+ ATOM 590 OG SER A 81 14.442 3.236 9.922 1.00 0.00 O
592
+ ATOM 591 N TYR A 82 10.453 2.767 11.841 1.00 0.00 N
593
+ ATOM 592 CA TYR A 82 9.096 2.246 11.960 1.00 0.00 C
594
+ ATOM 593 C TYR A 82 8.222 2.732 10.810 1.00 0.00 C
595
+ ATOM 594 CB TYR A 82 8.476 2.659 13.298 1.00 0.00 C
596
+ ATOM 595 O TYR A 82 8.466 3.802 10.247 1.00 0.00 O
597
+ ATOM 596 CG TYR A 82 9.287 2.236 14.499 1.00 0.00 C
598
+ ATOM 597 CD1 TYR A 82 9.072 1.003 15.109 1.00 0.00 C
599
+ ATOM 598 CD2 TYR A 82 10.267 3.069 15.026 1.00 0.00 C
600
+ ATOM 599 CE1 TYR A 82 9.815 0.609 16.218 1.00 0.00 C
601
+ ATOM 600 CE2 TYR A 82 11.017 2.687 16.135 1.00 0.00 C
602
+ ATOM 601 OH TYR A 82 11.523 1.072 17.818 1.00 0.00 O
603
+ ATOM 602 CZ TYR A 82 10.784 1.456 16.722 1.00 0.00 C
604
+ ATOM 603 N PRO A 83 7.251 1.886 10.383 1.00 0.00 N
605
+ ATOM 604 CA PRO A 83 6.324 2.400 9.373 1.00 0.00 C
606
+ ATOM 605 C PRO A 83 5.534 3.612 9.859 1.00 0.00 C
607
+ ATOM 606 CB PRO A 83 5.395 1.211 9.110 1.00 0.00 C
608
+ ATOM 607 O PRO A 83 5.282 3.749 11.059 1.00 0.00 O
609
+ ATOM 608 CG PRO A 83 6.089 0.041 9.728 1.00 0.00 C
610
+ ATOM 609 CD PRO A 83 7.032 0.545 10.781 1.00 0.00 C
611
+ ATOM 610 N PHE A 84 5.245 4.498 9.032 1.00 0.00 N
612
+ ATOM 611 CA PHE A 84 4.335 5.612 9.270 1.00 0.00 C
613
+ ATOM 612 C PHE A 84 3.034 5.424 8.500 1.00 0.00 C
614
+ ATOM 613 CB PHE A 84 4.992 6.939 8.876 1.00 0.00 C
615
+ ATOM 614 O PHE A 84 3.051 5.190 7.289 1.00 0.00 O
616
+ ATOM 615 CG PHE A 84 4.128 8.145 9.135 1.00 0.00 C
617
+ ATOM 616 CD1 PHE A 84 3.935 8.614 10.427 1.00 0.00 C
618
+ ATOM 617 CD2 PHE A 84 3.510 8.808 8.083 1.00 0.00 C
619
+ ATOM 618 CE1 PHE A 84 3.136 9.729 10.669 1.00 0.00 C
620
+ ATOM 619 CE2 PHE A 84 2.711 9.923 8.317 1.00 0.00 C
621
+ ATOM 620 CZ PHE A 84 2.524 10.381 9.611 1.00 0.00 C
622
+ ATOM 621 N PRO A 85 1.900 5.685 9.258 1.00 0.00 N
623
+ ATOM 622 CA PRO A 85 1.729 5.828 10.706 1.00 0.00 C
624
+ ATOM 623 C PRO A 85 2.118 4.567 11.473 1.00 0.00 C
625
+ ATOM 624 CB PRO A 85 0.233 6.120 10.857 1.00 0.00 C
626
+ ATOM 625 O PRO A 85 2.238 3.492 10.880 1.00 0.00 O
627
+ ATOM 626 CG PRO A 85 -0.409 5.429 9.699 1.00 0.00 C
628
+ ATOM 627 CD PRO A 85 0.564 5.408 8.554 1.00 0.00 C
629
+ ATOM 628 N THR A 86 2.493 4.743 12.711 1.00 0.00 N
630
+ ATOM 629 CA THR A 86 2.844 3.558 13.485 1.00 0.00 C
631
+ ATOM 630 C THR A 86 1.590 2.825 13.953 1.00 0.00 C
632
+ ATOM 631 CB THR A 86 3.713 3.923 14.703 1.00 0.00 C
633
+ ATOM 632 O THR A 86 0.554 3.449 14.194 1.00 0.00 O
634
+ ATOM 633 CG2 THR A 86 5.039 4.538 14.268 1.00 0.00 C
635
+ ATOM 634 OG1 THR A 86 3.007 4.865 15.520 1.00 0.00 O
636
+ ATOM 635 N THR A 87 1.544 1.460 13.839 1.00 0.00 N
637
+ ATOM 636 CA THR A 87 0.404 0.659 14.273 1.00 0.00 C
638
+ ATOM 637 C THR A 87 0.420 0.472 15.788 1.00 0.00 C
639
+ ATOM 638 CB THR A 87 0.395 -0.719 13.584 1.00 0.00 C
640
+ ATOM 639 O THR A 87 -0.609 0.159 16.390 1.00 0.00 O
641
+ ATOM 640 CG2 THR A 87 0.151 -0.582 12.084 1.00 0.00 C
642
+ ATOM 641 OG1 THR A 87 1.660 -1.360 13.794 1.00 0.00 O
643
+ ATOM 642 N SER A 88 1.540 0.500 16.430 1.00 0.00 N
644
+ ATOM 643 CA SER A 88 1.707 0.287 17.864 1.00 0.00 C
645
+ ATOM 644 C SER A 88 2.654 1.317 18.469 1.00 0.00 C
646
+ ATOM 645 CB SER A 88 2.231 -1.123 18.139 1.00 0.00 C
647
+ ATOM 646 O SER A 88 3.334 2.045 17.743 1.00 0.00 O
648
+ ATOM 647 OG SER A 88 3.533 -1.289 17.605 1.00 0.00 O
649
+ ATOM 648 N GLU A 89 2.568 1.443 19.786 1.00 0.00 N
650
+ ATOM 649 CA GLU A 89 3.498 2.323 20.487 1.00 0.00 C
651
+ ATOM 650 C GLU A 89 4.938 1.842 20.330 1.00 0.00 C
652
+ ATOM 651 CB GLU A 89 3.134 2.415 21.971 1.00 0.00 C
653
+ ATOM 652 O GLU A 89 5.201 0.638 20.336 1.00 0.00 O
654
+ ATOM 653 CG GLU A 89 1.825 3.143 22.239 1.00 0.00 C
655
+ ATOM 654 CD GLU A 89 1.443 3.168 23.710 1.00 0.00 C
656
+ ATOM 655 OE1 GLU A 89 1.939 2.316 24.481 1.00 0.00 O
657
+ ATOM 656 OE2 GLU A 89 0.639 4.047 24.095 1.00 0.00 O
658
+ ATOM 657 N THR A 90 5.765 2.786 20.047 1.00 0.00 N
659
+ ATOM 658 CA THR A 90 7.183 2.449 19.993 1.00 0.00 C
660
+ ATOM 659 C THR A 90 7.899 2.916 21.256 1.00 0.00 C
661
+ ATOM 660 CB THR A 90 7.858 3.071 18.756 1.00 0.00 C
662
+ ATOM 661 O THR A 90 7.754 4.068 21.668 1.00 0.00 O
663
+ ATOM 662 CG2 THR A 90 7.306 2.472 17.468 1.00 0.00 C
664
+ ATOM 663 OG1 THR A 90 7.624 4.485 18.753 1.00 0.00 O
665
+ ATOM 664 N PRO A 91 8.382 1.940 22.086 1.00 0.00 N
666
+ ATOM 665 CA PRO A 91 9.011 2.361 23.340 1.00 0.00 C
667
+ ATOM 666 C PRO A 91 10.282 3.178 23.117 1.00 0.00 C
668
+ ATOM 667 CB PRO A 91 9.330 1.035 24.037 1.00 0.00 C
669
+ ATOM 668 O PRO A 91 11.000 2.955 22.140 1.00 0.00 O
670
+ ATOM 669 CG PRO A 91 9.270 0.009 22.952 1.00 0.00 C
671
+ ATOM 670 CD PRO A 91 8.520 0.589 21.788 1.00 0.00 C
672
+ ATOM 671 N ARG A 92 10.389 4.057 23.990 1.00 0.00 N
673
+ ATOM 672 CA ARG A 92 11.688 4.706 24.128 1.00 0.00 C
674
+ ATOM 673 C ARG A 92 12.002 4.998 25.592 1.00 0.00 C
675
+ ATOM 674 CB ARG A 92 11.731 6.003 23.316 1.00 0.00 C
676
+ ATOM 675 O ARG A 92 11.121 5.404 26.352 1.00 0.00 O
677
+ ATOM 676 CG ARG A 92 13.079 6.705 23.347 1.00 0.00 C
678
+ ATOM 677 CD ARG A 92 13.032 8.049 22.632 1.00 0.00 C
679
+ ATOM 678 NE ARG A 92 14.277 8.792 22.802 1.00 0.00 N
680
+ ATOM 679 NH1 ARG A 92 13.408 10.810 22.088 1.00 0.00 N
681
+ ATOM 680 NH2 ARG A 92 15.604 10.666 22.729 1.00 0.00 N
682
+ ATOM 681 CZ ARG A 92 14.426 10.088 22.539 1.00 0.00 C
683
+ ATOM 682 N VAL A 93 13.165 4.709 25.871 1.00 0.00 N
684
+ ATOM 683 CA VAL A 93 13.747 5.131 27.141 1.00 0.00 C
685
+ ATOM 684 C VAL A 93 14.324 6.538 27.002 1.00 0.00 C
686
+ ATOM 685 CB VAL A 93 14.841 4.150 27.618 1.00 0.00 C
687
+ ATOM 686 O VAL A 93 15.079 6.817 26.067 1.00 0.00 O
688
+ ATOM 687 CG1 VAL A 93 15.464 4.631 28.927 1.00 0.00 C
689
+ ATOM 688 CG2 VAL A 93 14.265 2.745 27.781 1.00 0.00 C
690
+ ATOM 689 N VAL A 94 13.640 7.555 27.590 1.00 0.00 N
691
+ ATOM 690 CA VAL A 94 14.137 8.924 27.668 1.00 0.00 C
692
+ ATOM 691 C VAL A 94 15.293 8.998 28.664 1.00 0.00 C
693
+ ATOM 692 CB VAL A 94 13.021 9.911 28.074 1.00 0.00 C
694
+ ATOM 693 O VAL A 94 15.293 8.296 29.677 1.00 0.00 O
695
+ ATOM 694 CG1 VAL A 94 13.555 11.342 28.121 1.00 0.00 C
696
+ ATOM 695 CG2 VAL A 94 11.841 9.809 27.108 1.00 0.00 C
697
+ ATOM 696 N TYR A 95 16.279 9.824 28.165 1.00 0.00 N
698
+ ATOM 697 CA TYR A 95 17.524 10.505 28.504 1.00 0.00 C
699
+ ATOM 698 C TYR A 95 17.421 11.186 29.863 1.00 0.00 C
700
+ ATOM 699 CB TYR A 95 17.882 11.534 27.429 1.00 0.00 C
701
+ ATOM 700 O TYR A 95 16.376 11.742 30.208 1.00 0.00 O
702
+ ATOM 701 CG TYR A 95 18.148 10.930 26.072 1.00 0.00 C
703
+ ATOM 702 CD1 TYR A 95 19.388 10.375 25.764 1.00 0.00 C
704
+ ATOM 703 CD2 TYR A 95 17.159 10.911 25.093 1.00 0.00 C
705
+ ATOM 704 CE1 TYR A 95 19.638 9.818 24.515 1.00 0.00 C
706
+ ATOM 705 CE2 TYR A 95 17.397 10.357 23.840 1.00 0.00 C
707
+ ATOM 706 OH TYR A 95 18.879 9.263 22.322 1.00 0.00 O
708
+ ATOM 707 CZ TYR A 95 18.638 9.813 23.561 1.00 0.00 C
709
+ ATOM 708 N ASN A 96 18.270 10.935 30.715 1.00 0.00 N
710
+ ATOM 709 CA ASN A 96 18.700 11.515 31.984 1.00 0.00 C
711
+ ATOM 710 C ASN A 96 19.541 12.769 31.771 1.00 0.00 C
712
+ ATOM 711 CB ASN A 96 19.478 10.486 32.806 1.00 0.00 C
713
+ ATOM 712 O ASN A 96 20.558 12.959 32.440 1.00 0.00 O
714
+ ATOM 713 CG ASN A 96 20.739 10.013 32.109 1.00 0.00 C
715
+ ATOM 714 ND2 ASN A 96 21.501 9.156 32.777 1.00 0.00 N
716
+ ATOM 715 OD1 ASN A 96 21.027 10.418 30.979 1.00 0.00 O
717
+ ATOM 716 N SER A 97 19.444 13.443 30.640 1.00 0.00 N
718
+ ATOM 717 CA SER A 97 20.271 14.644 30.602 1.00 0.00 C
719
+ ATOM 718 C SER A 97 19.500 15.861 31.105 1.00 0.00 C
720
+ ATOM 719 CB SER A 97 20.776 14.903 29.183 1.00 0.00 C
721
+ ATOM 720 O SER A 97 18.333 16.049 30.758 1.00 0.00 O
722
+ ATOM 721 OG SER A 97 21.457 16.144 29.109 1.00 0.00 O
723
+ ATOM 722 N ARG A 98 20.071 16.651 31.991 1.00 0.00 N
724
+ ATOM 723 CA ARG A 98 19.519 17.890 32.529 1.00 0.00 C
725
+ ATOM 724 C ARG A 98 19.642 19.027 31.522 1.00 0.00 C
726
+ ATOM 725 CB ARG A 98 20.222 18.268 33.835 1.00 0.00 C
727
+ ATOM 726 O ARG A 98 19.119 20.121 31.745 1.00 0.00 O
728
+ ATOM 727 CG ARG A 98 19.863 17.371 35.010 1.00 0.00 C
729
+ ATOM 728 CD ARG A 98 20.450 17.891 36.315 1.00 0.00 C
730
+ ATOM 729 NE ARG A 98 20.112 17.024 37.441 1.00 0.00 N
731
+ ATOM 730 NH1 ARG A 98 21.031 18.405 39.048 1.00 0.00 N
732
+ ATOM 731 NH2 ARG A 98 20.042 16.428 39.658 1.00 0.00 N
733
+ ATOM 732 CZ ARG A 98 20.396 17.287 38.713 1.00 0.00 C
734
+ ATOM 733 N THR A 99 20.424 18.780 30.442 1.00 0.00 N
735
+ ATOM 734 CA THR A 99 20.558 19.778 29.386 1.00 0.00 C
736
+ ATOM 735 C THR A 99 19.647 19.444 28.208 1.00 0.00 C
737
+ ATOM 736 CB THR A 99 22.015 19.883 28.898 1.00 0.00 C
738
+ ATOM 737 O THR A 99 19.317 18.279 27.982 1.00 0.00 O
739
+ ATOM 738 CG2 THR A 99 22.936 20.361 30.017 1.00 0.00 C
740
+ ATOM 739 OG1 THR A 99 22.456 18.595 28.450 1.00 0.00 O
741
+ ATOM 740 N ASP A 100 19.224 20.485 27.513 1.00 0.00 N
742
+ ATOM 741 CA ASP A 100 18.374 20.324 26.337 1.00 0.00 C
743
+ ATOM 742 C ASP A 100 19.066 19.476 25.272 1.00 0.00 C
744
+ ATOM 743 CB ASP A 100 17.994 21.688 25.758 1.00 0.00 C
745
+ ATOM 744 O ASP A 100 20.202 19.760 24.886 1.00 0.00 O
746
+ ATOM 745 CG ASP A 100 17.011 22.450 26.629 1.00 0.00 C
747
+ ATOM 746 OD1 ASP A 100 16.237 21.811 27.376 1.00 0.00 O
748
+ ATOM 747 OD2 ASP A 100 17.008 23.698 26.567 1.00 0.00 O
749
+ ATOM 748 N LYS A 101 18.411 18.484 24.859 1.00 0.00 N
750
+ ATOM 749 CA LYS A 101 18.865 17.637 23.759 1.00 0.00 C
751
+ ATOM 750 C LYS A 101 17.818 17.567 22.651 1.00 0.00 C
752
+ ATOM 751 CB LYS A 101 19.189 16.231 24.264 1.00 0.00 C
753
+ ATOM 752 O LYS A 101 16.618 17.652 22.917 1.00 0.00 O
754
+ ATOM 753 CG LYS A 101 20.282 16.189 25.321 1.00 0.00 C
755
+ ATOM 754 CD LYS A 101 21.659 16.416 24.710 1.00 0.00 C
756
+ ATOM 755 CE LYS A 101 22.767 16.202 25.733 1.00 0.00 C
757
+ ATOM 756 NZ LYS A 101 24.115 16.496 25.158 1.00 0.00 N
758
+ ATOM 757 N PRO A 102 18.316 17.447 21.470 1.00 0.00 N
759
+ ATOM 758 CA PRO A 102 17.352 17.308 20.376 1.00 0.00 C
760
+ ATOM 759 C PRO A 102 16.458 16.081 20.529 1.00 0.00 C
761
+ ATOM 760 CB PRO A 102 18.241 17.185 19.136 1.00 0.00 C
762
+ ATOM 761 O PRO A 102 16.924 15.023 20.959 1.00 0.00 O
763
+ ATOM 762 CG PRO A 102 19.555 17.768 19.549 1.00 0.00 C
764
+ ATOM 763 CD PRO A 102 19.730 17.551 21.024 1.00 0.00 C
765
+ ATOM 764 N TRP A 103 15.169 16.264 20.338 1.00 0.00 N
766
+ ATOM 765 CA TRP A 103 14.251 15.135 20.231 1.00 0.00 C
767
+ ATOM 766 C TRP A 103 14.470 14.376 18.927 1.00 0.00 C
768
+ ATOM 767 CB TRP A 103 12.799 15.612 20.322 1.00 0.00 C
769
+ ATOM 768 O TRP A 103 14.221 14.907 17.842 1.00 0.00 O
770
+ ATOM 769 CG TRP A 103 11.823 14.530 20.672 1.00 0.00 C
771
+ ATOM 770 CD1 TRP A 103 11.955 13.587 21.653 1.00 0.00 C
772
+ ATOM 771 CD2 TRP A 103 10.565 14.275 20.038 1.00 0.00 C
773
+ ATOM 772 CE2 TRP A 103 9.986 13.163 20.688 1.00 0.00 C
774
+ ATOM 773 CE3 TRP A 103 9.870 14.882 18.982 1.00 0.00 C
775
+ ATOM 774 NE1 TRP A 103 10.853 12.762 21.669 1.00 0.00 N
776
+ ATOM 775 CH2 TRP A 103 8.085 13.256 19.281 1.00 0.00 C
777
+ ATOM 776 CZ2 TRP A 103 8.744 12.644 20.316 1.00 0.00 C
778
+ ATOM 777 CZ3 TRP A 103 8.633 14.365 18.614 1.00 0.00 C
779
+ ATOM 778 N PRO A 104 14.893 13.126 18.916 1.00 0.00 N
780
+ ATOM 779 CA PRO A 104 15.458 12.464 17.738 1.00 0.00 C
781
+ ATOM 780 C PRO A 104 14.402 11.750 16.897 1.00 0.00 C
782
+ ATOM 781 CB PRO A 104 16.447 11.460 18.338 1.00 0.00 C
783
+ ATOM 782 O PRO A 104 14.481 10.536 16.701 1.00 0.00 O
784
+ ATOM 783 CG PRO A 104 15.842 11.066 19.647 1.00 0.00 C
785
+ ATOM 784 CD PRO A 104 15.114 12.250 20.213 1.00 0.00 C
786
+ ATOM 785 N VAL A 105 13.493 12.462 16.410 1.00 0.00 N
787
+ ATOM 786 CA VAL A 105 12.453 11.906 15.550 1.00 0.00 C
788
+ ATOM 787 C VAL A 105 12.495 12.583 14.183 1.00 0.00 C
789
+ ATOM 788 CB VAL A 105 11.051 12.062 16.181 1.00 0.00 C
790
+ ATOM 789 O VAL A 105 12.642 13.805 14.092 1.00 0.00 O
791
+ ATOM 790 CG1 VAL A 105 9.970 11.555 15.227 1.00 0.00 C
792
+ ATOM 791 CG2 VAL A 105 10.980 11.322 17.516 1.00 0.00 C
793
+ ATOM 792 N ALA A 106 12.435 11.761 13.159 1.00 0.00 N
794
+ ATOM 793 CA ALA A 106 12.311 12.258 11.791 1.00 0.00 C
795
+ ATOM 794 C ALA A 106 11.290 11.446 11.001 1.00 0.00 C
796
+ ATOM 795 CB ALA A 106 13.668 12.229 11.090 1.00 0.00 C
797
+ ATOM 796 O ALA A 106 11.220 10.221 11.140 1.00 0.00 O
798
+ ATOM 797 N LEU A 107 10.524 12.183 10.303 1.00 0.00 N
799
+ ATOM 798 CA LEU A 107 9.567 11.549 9.404 1.00 0.00 C
800
+ ATOM 799 C LEU A 107 10.063 11.594 7.963 1.00 0.00 C
801
+ ATOM 800 CB LEU A 107 8.201 12.231 9.507 1.00 0.00 C
802
+ ATOM 801 O LEU A 107 10.540 12.632 7.498 1.00 0.00 O
803
+ ATOM 802 CG LEU A 107 7.633 12.401 10.917 1.00 0.00 C
804
+ ATOM 803 CD1 LEU A 107 6.439 13.350 10.898 1.00 0.00 C
805
+ ATOM 804 CD2 LEU A 107 7.239 11.049 11.502 1.00 0.00 C
806
+ ATOM 805 N TYR A 108 10.059 10.474 7.358 1.00 0.00 N
807
+ ATOM 806 CA TYR A 108 10.378 10.369 5.938 1.00 0.00 C
808
+ ATOM 807 C TYR A 108 9.129 10.059 5.120 1.00 0.00 C
809
+ ATOM 808 CB TYR A 108 11.436 9.287 5.705 1.00 0.00 C
810
+ ATOM 809 O TYR A 108 8.542 8.982 5.255 1.00 0.00 O
811
+ ATOM 810 CG TYR A 108 12.759 9.579 6.370 1.00 0.00 C
812
+ ATOM 811 CD1 TYR A 108 13.842 10.056 5.633 1.00 0.00 C
813
+ ATOM 812 CD2 TYR A 108 12.931 9.378 7.735 1.00 0.00 C
814
+ ATOM 813 CE1 TYR A 108 15.063 10.324 6.241 1.00 0.00 C
815
+ ATOM 814 CE2 TYR A 108 14.149 9.643 8.354 1.00 0.00 C
816
+ ATOM 815 OH TYR A 108 16.414 10.380 8.206 1.00 0.00 O
817
+ ATOM 816 CZ TYR A 108 15.207 10.116 7.599 1.00 0.00 C
818
+ ATOM 817 N LEU A 109 8.747 11.037 4.392 1.00 0.00 N
819
+ ATOM 818 CA LEU A 109 7.578 10.898 3.530 1.00 0.00 C
820
+ ATOM 819 C LEU A 109 7.989 10.824 2.064 1.00 0.00 C
821
+ ATOM 820 CB LEU A 109 6.611 12.065 3.743 1.00 0.00 C
822
+ ATOM 821 O LEU A 109 8.768 11.655 1.590 1.00 0.00 O
823
+ ATOM 822 CG LEU A 109 6.231 12.374 5.192 1.00 0.00 C
824
+ ATOM 823 CD1 LEU A 109 5.419 13.663 5.263 1.00 0.00 C
825
+ ATOM 824 CD2 LEU A 109 5.455 11.213 5.802 1.00 0.00 C
826
+ ATOM 825 N THR A 110 7.586 9.785 1.448 1.00 0.00 N
827
+ ATOM 826 CA THR A 110 7.970 9.601 0.052 1.00 0.00 C
828
+ ATOM 827 C THR A 110 6.750 9.685 -0.860 1.00 0.00 C
829
+ ATOM 828 CB THR A 110 8.680 8.251 -0.159 1.00 0.00 C
830
+ ATOM 829 O THR A 110 5.899 8.793 -0.851 1.00 0.00 O
831
+ ATOM 830 CG2 THR A 110 9.230 8.135 -1.576 1.00 0.00 C
832
+ ATOM 831 OG1 THR A 110 9.762 8.136 0.774 1.00 0.00 O
833
+ ATOM 832 N PRO A 111 6.582 10.829 -1.593 1.00 0.00 N
834
+ ATOM 833 CA PRO A 111 5.478 10.860 -2.553 1.00 0.00 C
835
+ ATOM 834 C PRO A 111 5.562 9.738 -3.586 1.00 0.00 C
836
+ ATOM 835 CB PRO A 111 5.629 12.230 -3.221 1.00 0.00 C
837
+ ATOM 836 O PRO A 111 6.632 9.490 -4.147 1.00 0.00 O
838
+ ATOM 837 CG PRO A 111 6.563 12.987 -2.332 1.00 0.00 C
839
+ ATOM 838 CD PRO A 111 7.430 12.001 -1.602 1.00 0.00 C
840
+ ATOM 839 N VAL A 112 4.493 9.001 -3.743 1.00 0.00 N
841
+ ATOM 840 CA VAL A 112 4.539 7.848 -4.636 1.00 0.00 C
842
+ ATOM 841 C VAL A 112 3.956 8.223 -5.996 1.00 0.00 C
843
+ ATOM 842 CB VAL A 112 3.775 6.642 -4.044 1.00 0.00 C
844
+ ATOM 843 O VAL A 112 4.186 7.530 -6.990 1.00 0.00 O
845
+ ATOM 844 CG1 VAL A 112 4.524 6.064 -2.845 1.00 0.00 C
846
+ ATOM 845 CG2 VAL A 112 2.358 7.052 -3.646 1.00 0.00 C
847
+ ATOM 846 N SER A 113 3.236 9.265 -6.187 1.00 0.00 N
848
+ ATOM 847 CA SER A 113 2.696 9.754 -7.450 1.00 0.00 C
849
+ ATOM 848 C SER A 113 2.481 11.264 -7.411 1.00 0.00 C
850
+ ATOM 849 CB SER A 113 1.378 9.051 -7.778 1.00 0.00 C
851
+ ATOM 850 O SER A 113 2.413 11.859 -6.334 1.00 0.00 O
852
+ ATOM 851 OG SER A 113 0.361 9.443 -6.873 1.00 0.00 O
853
+ ATOM 852 N SER A 114 2.670 11.923 -8.562 1.00 0.00 N
854
+ ATOM 853 CA SER A 114 2.332 13.337 -8.686 1.00 0.00 C
855
+ ATOM 854 C SER A 114 1.470 13.596 -9.917 1.00 0.00 C
856
+ ATOM 855 CB SER A 114 3.601 14.189 -8.753 1.00 0.00 C
857
+ ATOM 856 O SER A 114 1.685 12.991 -10.969 1.00 0.00 O
858
+ ATOM 857 OG SER A 114 4.106 14.233 -10.077 1.00 0.00 O
859
+ ATOM 858 N ALA A 115 0.339 14.239 -9.723 1.00 0.00 N
860
+ ATOM 859 CA ALA A 115 -0.312 14.958 -10.816 1.00 0.00 C
861
+ ATOM 860 C ALA A 115 0.266 16.361 -10.970 1.00 0.00 C
862
+ ATOM 861 CB ALA A 115 -1.820 15.028 -10.583 1.00 0.00 C
863
+ ATOM 862 O ALA A 115 -0.217 17.152 -11.785 1.00 0.00 O
864
+ ATOM 863 N GLY A 116 1.529 16.652 -10.389 1.00 0.00 N
865
+ ATOM 864 CA GLY A 116 1.960 18.035 -10.273 1.00 0.00 C
866
+ ATOM 865 C GLY A 116 1.140 18.836 -9.278 1.00 0.00 C
867
+ ATOM 866 O GLY A 116 0.177 18.322 -8.706 1.00 0.00 O
868
+ ATOM 867 N GLY A 117 1.840 19.905 -8.725 1.00 0.00 N
869
+ ATOM 868 CA GLY A 117 1.110 20.806 -7.848 1.00 0.00 C
870
+ ATOM 869 C GLY A 117 1.559 20.726 -6.402 1.00 0.00 C
871
+ ATOM 870 O GLY A 117 2.620 20.173 -6.106 1.00 0.00 O
872
+ ATOM 871 N VAL A 118 0.841 21.422 -5.572 1.00 0.00 N
873
+ ATOM 872 CA VAL A 118 1.162 21.528 -4.153 1.00 0.00 C
874
+ ATOM 873 C VAL A 118 0.778 20.235 -3.437 1.00 0.00 C
875
+ ATOM 874 CB VAL A 118 0.448 22.732 -3.498 1.00 0.00 C
876
+ ATOM 875 O VAL A 118 -0.396 19.856 -3.412 1.00 0.00 O
877
+ ATOM 876 CG1 VAL A 118 0.745 22.787 -2.000 1.00 0.00 C
878
+ ATOM 877 CG2 VAL A 118 0.866 24.034 -4.178 1.00 0.00 C
879
+ ATOM 878 N ALA A 119 1.774 19.566 -2.919 1.00 0.00 N
880
+ ATOM 879 CA ALA A 119 1.548 18.316 -2.197 1.00 0.00 C
881
+ ATOM 880 C ALA A 119 1.167 18.583 -0.744 1.00 0.00 C
882
+ ATOM 881 CB ALA A 119 2.789 17.430 -2.266 1.00 0.00 C
883
+ ATOM 882 O ALA A 119 0.293 17.911 -0.192 1.00 0.00 O
884
+ ATOM 883 N ILE A 120 1.817 19.516 -0.191 1.00 0.00 N
885
+ ATOM 884 CA ILE A 120 1.527 19.985 1.161 1.00 0.00 C
886
+ ATOM 885 C ILE A 120 1.333 21.499 1.150 1.00 0.00 C
887
+ ATOM 886 CB ILE A 120 2.653 19.596 2.146 1.00 0.00 C
888
+ ATOM 887 O ILE A 120 2.205 22.241 0.692 1.00 0.00 O
889
+ ATOM 888 CG1 ILE A 120 2.833 18.074 2.177 1.00 0.00 C
890
+ ATOM 889 CG2 ILE A 120 2.356 20.141 3.546 1.00 0.00 C
891
+ ATOM 890 CD1 ILE A 120 3.981 17.604 3.060 1.00 0.00 C
892
+ ATOM 891 N LYS A 121 0.141 21.957 1.576 1.00 0.00 N
893
+ ATOM 892 CA LYS A 121 -0.124 23.386 1.721 1.00 0.00 C
894
+ ATOM 893 C LYS A 121 0.366 23.903 3.070 1.00 0.00 C
895
+ ATOM 894 CB LYS A 121 -1.619 23.673 1.560 1.00 0.00 C
896
+ ATOM 895 O LYS A 121 0.236 23.218 4.087 1.00 0.00 O
897
+ ATOM 896 CG LYS A 121 -1.947 25.145 1.357 1.00 0.00 C
898
+ ATOM 897 CD LYS A 121 -3.419 25.347 1.017 1.00 0.00 C
899
+ ATOM 898 CE LYS A 121 -3.742 26.816 0.785 1.00 0.00 C
900
+ ATOM 899 NZ LYS A 121 -5.148 27.006 0.315 1.00 0.00 N
901
+ ATOM 900 N ALA A 122 0.911 25.035 3.047 1.00 0.00 N
902
+ ATOM 901 CA ALA A 122 1.254 25.689 4.307 1.00 0.00 C
903
+ ATOM 902 C ALA A 122 0.061 25.712 5.257 1.00 0.00 C
904
+ ATOM 903 CB ALA A 122 1.755 27.109 4.051 1.00 0.00 C
905
+ ATOM 904 O ALA A 122 -1.067 25.989 4.841 1.00 0.00 O
906
+ ATOM 905 N GLY A 123 0.367 25.321 6.526 1.00 0.00 N
907
+ ATOM 906 CA GLY A 123 -0.667 25.310 7.547 1.00 0.00 C
908
+ ATOM 907 C GLY A 123 -1.348 23.963 7.695 1.00 0.00 C
909
+ ATOM 908 O GLY A 123 -2.163 23.769 8.600 1.00 0.00 O
910
+ ATOM 909 N SER A 124 -1.016 23.047 6.745 1.00 0.00 N
911
+ ATOM 910 CA SER A 124 -1.661 21.739 6.805 1.00 0.00 C
912
+ ATOM 911 C SER A 124 -1.041 20.866 7.890 1.00 0.00 C
913
+ ATOM 912 CB SER A 124 -1.565 21.032 5.453 1.00 0.00 C
914
+ ATOM 913 O SER A 124 0.150 20.984 8.185 1.00 0.00 O
915
+ ATOM 914 OG SER A 124 -2.264 21.756 4.455 1.00 0.00 O
916
+ ATOM 915 N LEU A 125 -1.878 19.990 8.491 1.00 0.00 N
917
+ ATOM 916 CA LEU A 125 -1.442 19.057 9.524 1.00 0.00 C
918
+ ATOM 917 C LEU A 125 -0.735 17.854 8.908 1.00 0.00 C
919
+ ATOM 918 CB LEU A 125 -2.636 18.588 10.361 1.00 0.00 C
920
+ ATOM 919 O LEU A 125 -1.345 17.086 8.162 1.00 0.00 O
921
+ ATOM 920 CG LEU A 125 -2.319 17.660 11.535 1.00 0.00 C
922
+ ATOM 921 CD1 LEU A 125 -1.489 18.395 12.583 1.00 0.00 C
923
+ ATOM 922 CD2 LEU A 125 -3.604 17.115 12.147 1.00 0.00 C
924
+ ATOM 923 N ILE A 126 0.498 17.659 9.173 1.00 0.00 N
925
+ ATOM 924 CA ILE A 126 1.316 16.591 8.610 1.00 0.00 C
926
+ ATOM 925 C ILE A 126 1.152 15.321 9.441 1.00 0.00 C
927
+ ATOM 926 CB ILE A 126 2.805 16.997 8.541 1.00 0.00 C
928
+ ATOM 927 O ILE A 126 0.882 14.247 8.899 1.00 0.00 O
929
+ ATOM 928 CG1 ILE A 126 2.982 18.227 7.641 1.00 0.00 C
930
+ ATOM 929 CG2 ILE A 126 3.662 15.830 8.046 1.00 0.00 C
931
+ ATOM 930 CD1 ILE A 126 4.381 18.825 7.678 1.00 0.00 C
932
+ ATOM 931 N ALA A 127 1.274 15.467 10.746 1.00 0.00 N
933
+ ATOM 932 CA ALA A 127 1.268 14.315 11.644 1.00 0.00 C
934
+ ATOM 933 C ALA A 127 0.798 14.712 13.041 1.00 0.00 C
935
+ ATOM 934 CB ALA A 127 2.656 13.684 11.711 1.00 0.00 C
936
+ ATOM 935 O ALA A 127 0.919 15.873 13.437 1.00 0.00 O
937
+ ATOM 936 N VAL A 128 0.196 13.726 13.634 1.00 0.00 N
938
+ ATOM 937 CA VAL A 128 -0.121 13.844 15.053 1.00 0.00 C
939
+ ATOM 938 C VAL A 128 0.732 12.866 15.857 1.00 0.00 C
940
+ ATOM 939 CB VAL A 128 -1.621 13.588 15.322 1.00 0.00 C
941
+ ATOM 940 O VAL A 128 0.719 11.662 15.596 1.00 0.00 O
942
+ ATOM 941 CG1 VAL A 128 -1.930 13.706 16.813 1.00 0.00 C
943
+ ATOM 942 CG2 VAL A 128 -2.481 14.559 14.516 1.00 0.00 C
944
+ ATOM 943 N LEU A 129 1.462 13.428 16.733 1.00 0.00 N
945
+ ATOM 944 CA LEU A 129 2.294 12.620 17.616 1.00 0.00 C
946
+ ATOM 945 C LEU A 129 1.659 12.494 18.997 1.00 0.00 C
947
+ ATOM 946 CB LEU A 129 3.693 13.227 17.739 1.00 0.00 C
948
+ ATOM 947 O LEU A 129 1.351 13.502 19.638 1.00 0.00 O
949
+ ATOM 948 CG LEU A 129 4.664 12.932 16.594 1.00 0.00 C
950
+ ATOM 949 CD1 LEU A 129 4.641 14.066 15.574 1.00 0.00 C
951
+ ATOM 950 CD2 LEU A 129 6.075 12.716 17.131 1.00 0.00 C
952
+ ATOM 951 N ILE A 130 1.374 11.273 19.320 1.00 0.00 N
953
+ ATOM 952 CA ILE A 130 0.867 11.009 20.662 1.00 0.00 C
954
+ ATOM 953 C ILE A 130 1.975 10.411 21.526 1.00 0.00 C
955
+ ATOM 954 CB ILE A 130 -0.355 10.063 20.628 1.00 0.00 C
956
+ ATOM 955 O ILE A 130 2.479 9.324 21.235 1.00 0.00 O
957
+ ATOM 956 CG1 ILE A 130 -1.439 10.624 19.701 1.00 0.00 C
958
+ ATOM 957 CG2 ILE A 130 -0.904 9.839 22.041 1.00 0.00 C
959
+ ATOM 958 CD1 ILE A 130 -2.571 9.648 19.411 1.00 0.00 C
960
+ ATOM 959 N LEU A 131 2.429 11.161 22.485 1.00 0.00 N
961
+ ATOM 960 CA LEU A 131 3.465 10.708 23.406 1.00 0.00 C
962
+ ATOM 961 C LEU A 131 2.855 10.247 24.726 1.00 0.00 C
963
+ ATOM 962 CB LEU A 131 4.480 11.824 23.663 1.00 0.00 C
964
+ ATOM 963 O LEU A 131 2.012 10.939 25.300 1.00 0.00 O
965
+ ATOM 964 CG LEU A 131 5.297 12.288 22.456 1.00 0.00 C
966
+ ATOM 965 CD1 LEU A 131 5.275 13.810 22.354 1.00 0.00 C
967
+ ATOM 966 CD2 LEU A 131 6.730 11.774 22.549 1.00 0.00 C
968
+ ATOM 967 N ARG A 132 3.074 9.076 24.996 1.00 0.00 N
969
+ ATOM 968 CA ARG A 132 2.719 8.563 26.316 1.00 0.00 C
970
+ ATOM 969 C ARG A 132 3.965 8.314 27.160 1.00 0.00 C
971
+ ATOM 970 CB ARG A 132 1.905 7.274 26.189 1.00 0.00 C
972
+ ATOM 971 O ARG A 132 4.890 7.626 26.723 1.00 0.00 O
973
+ ATOM 972 CG ARG A 132 1.374 6.749 27.514 1.00 0.00 C
974
+ ATOM 973 CD ARG A 132 0.461 5.546 27.319 1.00 0.00 C
975
+ ATOM 974 NE ARG A 132 1.198 4.381 26.837 1.00 0.00 N
976
+ ATOM 975 NH1 ARG A 132 1.660 3.546 28.941 1.00 0.00 N
977
+ ATOM 976 NH2 ARG A 132 2.399 2.438 27.076 1.00 0.00 N
978
+ ATOM 977 CZ ARG A 132 1.750 3.458 27.619 1.00 0.00 C
979
+ ATOM 978 N GLN A 133 3.987 8.916 28.328 1.00 0.00 N
980
+ ATOM 979 CA GLN A 133 5.132 8.806 29.225 1.00 0.00 C
981
+ ATOM 980 C GLN A 133 4.786 7.983 30.462 1.00 0.00 C
982
+ ATOM 981 CB GLN A 133 5.624 10.194 29.641 1.00 0.00 C
983
+ ATOM 982 O GLN A 133 3.746 8.199 31.087 1.00 0.00 O
984
+ ATOM 983 CG GLN A 133 7.011 10.192 30.267 1.00 0.00 C
985
+ ATOM 984 CD GLN A 133 7.545 11.591 30.515 1.00 0.00 C
986
+ ATOM 985 NE2 GLN A 133 8.837 11.689 30.809 1.00 0.00 N
987
+ ATOM 986 OE1 GLN A 133 6.802 12.576 30.442 1.00 0.00 O
988
+ ATOM 987 N THR A 134 5.639 6.981 30.579 1.00 0.00 N
989
+ ATOM 988 CA THR A 134 5.536 6.209 31.812 1.00 0.00 C
990
+ ATOM 989 C THR A 134 6.809 6.347 32.644 1.00 0.00 C
991
+ ATOM 990 CB THR A 134 5.270 4.721 31.519 1.00 0.00 C
992
+ ATOM 991 O THR A 134 7.905 6.468 32.095 1.00 0.00 O
993
+ ATOM 992 CG2 THR A 134 4.040 4.545 30.637 1.00 0.00 C
994
+ ATOM 993 OG1 THR A 134 6.407 4.160 30.852 1.00 0.00 O
995
+ ATOM 994 N ASN A 135 6.650 6.847 33.823 1.00 0.00 N
996
+ ATOM 995 CA ASN A 135 7.774 6.896 34.752 1.00 0.00 C
997
+ ATOM 996 C ASN A 135 7.605 5.893 35.889 1.00 0.00 C
998
+ ATOM 997 CB ASN A 135 7.946 8.310 35.311 1.00 0.00 C
999
+ ATOM 998 O ASN A 135 6.506 5.387 36.119 1.00 0.00 O
1000
+ ATOM 999 CG ASN A 135 6.793 8.731 36.200 1.00 0.00 C
1001
+ ATOM 1000 ND2 ASN A 135 6.698 10.026 36.473 1.00 0.00 N
1002
+ ATOM 1001 OD1 ASN A 135 5.996 7.898 36.639 1.00 0.00 O
1003
+ ATOM 1002 N ASN A 136 8.802 5.347 36.340 1.00 0.00 N
1004
+ ATOM 1003 CA ASN A 136 8.839 4.315 37.370 1.00 0.00 C
1005
+ ATOM 1004 C ASN A 136 8.301 4.832 38.702 1.00 0.00 C
1006
+ ATOM 1005 CB ASN A 136 10.263 3.781 37.545 1.00 0.00 C
1007
+ ATOM 1006 O ASN A 136 8.193 4.076 39.669 1.00 0.00 O
1008
+ ATOM 1007 CG ASN A 136 10.719 2.940 36.368 1.00 0.00 C
1009
+ ATOM 1008 ND2 ASN A 136 12.022 2.705 36.278 1.00 0.00 N
1010
+ ATOM 1009 OD1 ASN A 136 9.906 2.506 35.548 1.00 0.00 O
1011
+ ATOM 1010 N TYR A 137 8.061 6.115 38.868 1.00 0.00 N
1012
+ ATOM 1011 CA TYR A 137 7.736 6.540 40.224 1.00 0.00 C
1013
+ ATOM 1012 C TYR A 137 6.227 6.626 40.421 1.00 0.00 C
1014
+ ATOM 1013 CB TYR A 137 8.380 7.895 40.532 1.00 0.00 C
1015
+ ATOM 1014 O TYR A 137 5.716 6.309 41.499 1.00 0.00 O
1016
+ ATOM 1015 CG TYR A 137 8.961 7.990 41.921 1.00 0.00 C
1017
+ ATOM 1016 CD1 TYR A 137 8.211 8.500 42.978 1.00 0.00 C
1018
+ ATOM 1017 CD2 TYR A 137 10.261 7.570 42.180 1.00 0.00 C
1019
+ ATOM 1018 CE1 TYR A 137 8.742 8.591 44.260 1.00 0.00 C
1020
+ ATOM 1019 CE2 TYR A 137 10.804 7.655 43.458 1.00 0.00 C
1021
+ ATOM 1020 OH TYR A 137 10.569 8.254 45.757 1.00 0.00 O
1022
+ ATOM 1021 CZ TYR A 137 10.038 8.166 44.490 1.00 0.00 C
1023
+ ATOM 1022 N ASN A 138 5.391 7.010 39.395 1.00 0.00 N
1024
+ ATOM 1023 CA ASN A 138 3.942 7.171 39.464 1.00 0.00 C
1025
+ ATOM 1024 C ASN A 138 3.262 6.688 38.186 1.00 0.00 C
1026
+ ATOM 1025 CB ASN A 138 3.577 8.631 39.742 1.00 0.00 C
1027
+ ATOM 1026 O ASN A 138 3.882 6.654 37.123 1.00 0.00 O
1028
+ ATOM 1027 CG ASN A 138 3.798 9.023 41.190 1.00 0.00 C
1029
+ ATOM 1028 ND2 ASN A 138 3.396 10.238 41.543 1.00 0.00 N
1030
+ ATOM 1029 OD1 ASN A 138 4.325 8.240 41.984 1.00 0.00 O
1031
+ ATOM 1030 N SER A 139 2.334 5.699 38.295 1.00 0.00 N
1032
+ ATOM 1031 CA SER A 139 1.464 5.100 37.290 1.00 0.00 C
1033
+ ATOM 1032 C SER A 139 0.786 6.167 36.437 1.00 0.00 C
1034
+ ATOM 1033 CB SER A 139 0.404 4.218 37.953 1.00 0.00 C
1035
+ ATOM 1034 O SER A 139 -0.051 5.854 35.588 1.00 0.00 O
1036
+ ATOM 1035 OG SER A 139 -0.432 4.988 38.799 1.00 0.00 O
1037
+ ATOM 1036 N ASP A 140 1.074 7.489 36.743 1.00 0.00 N
1038
+ ATOM 1037 CA ASP A 140 0.347 8.440 35.907 1.00 0.00 C
1039
+ ATOM 1038 C ASP A 140 0.964 8.531 34.514 1.00 0.00 C
1040
+ ATOM 1039 CB ASP A 140 0.324 9.823 36.563 1.00 0.00 C
1041
+ ATOM 1040 O ASP A 140 2.171 8.742 34.376 1.00 0.00 O
1042
+ ATOM 1041 CG ASP A 140 -0.507 9.862 37.833 1.00 0.00 C
1043
+ ATOM 1042 OD1 ASP A 140 -1.386 8.991 38.015 1.00 0.00 O
1044
+ ATOM 1043 OD2 ASP A 140 -0.285 10.776 38.658 1.00 0.00 O
1045
+ ATOM 1044 N ASP A 141 0.322 7.768 33.628 1.00 0.00 N
1046
+ ATOM 1045 CA ASP A 141 0.597 7.873 32.198 1.00 0.00 C
1047
+ ATOM 1046 C ASP A 141 0.190 9.243 31.660 1.00 0.00 C
1048
+ ATOM 1047 CB ASP A 141 -0.130 6.768 31.429 1.00 0.00 C
1049
+ ATOM 1048 O ASP A 141 -0.926 9.705 31.904 1.00 0.00 O
1050
+ ATOM 1049 CG ASP A 141 0.437 5.385 31.700 1.00 0.00 C
1051
+ ATOM 1050 OD1 ASP A 141 1.559 5.281 32.241 1.00 0.00 O
1052
+ ATOM 1051 OD2 ASP A 141 -0.243 4.391 31.367 1.00 0.00 O
1053
+ ATOM 1052 N PHE A 142 1.197 10.036 31.417 1.00 0.00 N
1054
+ ATOM 1053 CA PHE A 142 0.868 11.305 30.780 1.00 0.00 C
1055
+ ATOM 1054 C PHE A 142 0.885 11.170 29.261 1.00 0.00 C
1056
+ ATOM 1055 CB PHE A 142 1.846 12.399 31.220 1.00 0.00 C
1057
+ ATOM 1056 O PHE A 142 1.741 10.479 28.705 1.00 0.00 O
1058
+ ATOM 1057 CG PHE A 142 1.808 12.689 32.696 1.00 0.00 C
1059
+ ATOM 1058 CD1 PHE A 142 0.834 13.524 33.230 1.00 0.00 C
1060
+ ATOM 1059 CD2 PHE A 142 2.747 12.126 33.551 1.00 0.00 C
1061
+ ATOM 1060 CE1 PHE A 142 0.795 13.794 34.596 1.00 0.00 C
1062
+ ATOM 1061 CE2 PHE A 142 2.715 12.391 34.916 1.00 0.00 C
1063
+ ATOM 1062 CZ PHE A 142 1.740 13.226 35.437 1.00 0.00 C
1064
+ ATOM 1063 N GLN A 143 -0.251 11.580 28.655 1.00 0.00 N
1065
+ ATOM 1064 CA GLN A 143 -0.306 11.601 27.197 1.00 0.00 C
1066
+ ATOM 1065 C GLN A 143 -0.207 13.027 26.663 1.00 0.00 C
1067
+ ATOM 1066 CB GLN A 143 -1.595 10.942 26.699 1.00 0.00 C
1068
+ ATOM 1067 O GLN A 143 -0.817 13.946 27.214 1.00 0.00 O
1069
+ ATOM 1068 CG GLN A 143 -1.625 10.712 25.194 1.00 0.00 C
1070
+ ATOM 1069 CD GLN A 143 -2.871 9.976 24.738 1.00 0.00 C
1071
+ ATOM 1070 NE2 GLN A 143 -3.323 10.271 23.525 1.00 0.00 N
1072
+ ATOM 1071 OE1 GLN A 143 -3.422 9.148 25.471 1.00 0.00 O
1073
+ ATOM 1072 N PHE A 144 0.638 13.153 25.696 1.00 0.00 N
1074
+ ATOM 1073 CA PHE A 144 0.812 14.443 25.039 1.00 0.00 C
1075
+ ATOM 1074 C PHE A 144 0.627 14.312 23.532 1.00 0.00 C
1076
+ ATOM 1075 CB PHE A 144 2.195 15.024 25.349 1.00 0.00 C
1077
+ ATOM 1076 O PHE A 144 1.030 13.311 22.936 1.00 0.00 O
1078
+ ATOM 1077 CG PHE A 144 2.551 14.997 26.812 1.00 0.00 C
1079
+ ATOM 1078 CD1 PHE A 144 2.206 16.054 27.644 1.00 0.00 C
1080
+ ATOM 1079 CD2 PHE A 144 3.231 13.914 27.352 1.00 0.00 C
1081
+ ATOM 1080 CE1 PHE A 144 2.534 16.032 28.998 1.00 0.00 C
1082
+ ATOM 1081 CE2 PHE A 144 3.563 13.885 28.704 1.00 0.00 C
1083
+ ATOM 1082 CZ PHE A 144 3.214 14.945 29.525 1.00 0.00 C
1084
+ ATOM 1083 N VAL A 145 -0.093 15.349 22.997 1.00 0.00 N
1085
+ ATOM 1084 CA VAL A 145 -0.339 15.333 21.559 1.00 0.00 C
1086
+ ATOM 1085 C VAL A 145 0.386 16.504 20.898 1.00 0.00 C
1087
+ ATOM 1086 CB VAL A 145 -1.849 15.394 21.240 1.00 0.00 C
1088
+ ATOM 1087 O VAL A 145 0.237 17.652 21.320 1.00 0.00 O
1089
+ ATOM 1088 CG1 VAL A 145 -2.083 15.408 19.730 1.00 0.00 C
1090
+ ATOM 1089 CG2 VAL A 145 -2.578 14.216 21.886 1.00 0.00 C
1091
+ ATOM 1090 N TRP A 146 1.233 16.172 20.016 1.00 0.00 N
1092
+ ATOM 1091 CA TRP A 146 1.886 17.192 19.202 1.00 0.00 C
1093
+ ATOM 1092 C TRP A 146 1.365 17.161 17.769 1.00 0.00 C
1094
+ ATOM 1093 CB TRP A 146 3.404 16.996 19.210 1.00 0.00 C
1095
+ ATOM 1094 O TRP A 146 1.431 16.127 17.100 1.00 0.00 O
1096
+ ATOM 1095 CG TRP A 146 4.024 17.102 20.571 1.00 0.00 C
1097
+ ATOM 1096 CD1 TRP A 146 3.403 17.463 21.734 1.00 0.00 C
1098
+ ATOM 1097 CD2 TRP A 146 5.391 16.849 20.909 1.00 0.00 C
1099
+ ATOM 1098 CE2 TRP A 146 5.529 17.076 22.296 1.00 0.00 C
1100
+ ATOM 1099 CE3 TRP A 146 6.515 16.451 20.172 1.00 0.00 C
1101
+ ATOM 1100 NE1 TRP A 146 4.302 17.450 22.775 1.00 0.00 N
1102
+ ATOM 1101 CH2 TRP A 146 7.830 16.528 22.218 1.00 0.00 C
1103
+ ATOM 1102 CZ2 TRP A 146 6.747 16.918 22.962 1.00 0.00 C
1104
+ ATOM 1103 CZ3 TRP A 146 7.727 16.294 20.837 1.00 0.00 C
1105
+ ATOM 1104 N ASN A 147 0.839 18.307 17.423 1.00 0.00 N
1106
+ ATOM 1105 CA ASN A 147 0.405 18.483 16.041 1.00 0.00 C
1107
+ ATOM 1106 C ASN A 147 1.498 19.118 15.187 1.00 0.00 C
1108
+ ATOM 1107 CB ASN A 147 -0.872 19.326 15.982 1.00 0.00 C
1109
+ ATOM 1108 O ASN A 147 1.987 20.204 15.503 1.00 0.00 O
1110
+ ATOM 1109 CG ASN A 147 -2.022 18.697 16.743 1.00 0.00 C
1111
+ ATOM 1110 ND2 ASN A 147 -2.585 19.440 17.689 1.00 0.00 N
1112
+ ATOM 1111 OD1 ASN A 147 -2.402 17.552 16.484 1.00 0.00 O
1113
+ ATOM 1112 N ILE A 148 1.897 18.368 14.212 1.00 0.00 N
1114
+ ATOM 1113 CA ILE A 148 2.969 18.851 13.349 1.00 0.00 C
1115
+ ATOM 1114 C ILE A 148 2.373 19.492 12.097 1.00 0.00 C
1116
+ ATOM 1115 CB ILE A 148 3.938 17.714 12.958 1.00 0.00 C
1117
+ ATOM 1116 O ILE A 148 1.708 18.820 11.305 1.00 0.00 O
1118
+ ATOM 1117 CG1 ILE A 148 4.372 16.931 14.204 1.00 0.00 C
1119
+ ATOM 1118 CG2 ILE A 148 5.153 18.272 12.212 1.00 0.00 C
1120
+ ATOM 1119 CD1 ILE A 148 5.034 17.788 15.274 1.00 0.00 C
1121
+ ATOM 1120 N TYR A 149 2.654 20.829 11.915 1.00 0.00 N
1122
+ ATOM 1121 CA TYR A 149 2.134 21.587 10.782 1.00 0.00 C
1123
+ ATOM 1122 C TYR A 149 3.260 22.007 9.845 1.00 0.00 C
1124
+ ATOM 1123 CB TYR A 149 1.371 22.823 11.268 1.00 0.00 C
1125
+ ATOM 1124 O TYR A 149 4.389 22.236 10.284 1.00 0.00 O
1126
+ ATOM 1125 CG TYR A 149 0.067 22.500 11.957 1.00 0.00 C
1127
+ ATOM 1126 CD1 TYR A 149 -1.122 22.420 11.237 1.00 0.00 C
1128
+ ATOM 1127 CD2 TYR A 149 0.022 22.274 13.328 1.00 0.00 C
1129
+ ATOM 1128 CE1 TYR A 149 -2.326 22.124 11.867 1.00 0.00 C
1130
+ ATOM 1129 CE2 TYR A 149 -1.176 21.978 13.969 1.00 0.00 C
1131
+ ATOM 1130 OH TYR A 149 -3.532 21.611 13.862 1.00 0.00 O
1132
+ ATOM 1131 CZ TYR A 149 -2.343 21.905 13.232 1.00 0.00 C
1133
+ ATOM 1132 N ALA A 150 2.895 22.085 8.588 1.00 0.00 N
1134
+ ATOM 1133 CA ALA A 150 3.840 22.645 7.625 1.00 0.00 C
1135
+ ATOM 1134 C ALA A 150 3.830 24.170 7.669 1.00 0.00 C
1136
+ ATOM 1135 CB ALA A 150 3.516 22.154 6.216 1.00 0.00 C
1137
+ ATOM 1136 O ALA A 150 2.765 24.790 7.666 1.00 0.00 O
1138
+ ATOM 1137 N ASN A 151 4.976 24.756 7.719 1.00 0.00 N
1139
+ ATOM 1138 CA ASN A 151 5.092 26.210 7.677 1.00 0.00 C
1140
+ ATOM 1139 C ASN A 151 5.099 26.731 6.244 1.00 0.00 C
1141
+ ATOM 1140 CB ASN A 151 6.351 26.670 8.416 1.00 0.00 C
1142
+ ATOM 1141 O ASN A 151 4.805 27.903 6.003 1.00 0.00 O
1143
+ ATOM 1142 CG ASN A 151 6.073 27.067 9.853 1.00 0.00 C
1144
+ ATOM 1143 ND2 ASN A 151 7.128 27.200 10.646 1.00 0.00 N
1145
+ ATOM 1144 OD1 ASN A 151 4.918 27.251 10.246 1.00 0.00 O
1146
+ ATOM 1145 N ASN A 152 5.495 25.934 5.313 1.00 0.00 N
1147
+ ATOM 1146 CA ASN A 152 5.594 26.328 3.912 1.00 0.00 C
1148
+ ATOM 1147 C ASN A 152 4.969 25.286 2.990 1.00 0.00 C
1149
+ ATOM 1148 CB ASN A 152 7.055 26.572 3.524 1.00 0.00 C
1150
+ ATOM 1149 O ASN A 152 4.734 24.148 3.401 1.00 0.00 O
1151
+ ATOM 1150 CG ASN A 152 7.912 25.331 3.670 1.00 0.00 C
1152
+ ATOM 1151 ND2 ASN A 152 8.258 24.714 2.546 1.00 0.00 N
1153
+ ATOM 1152 OD1 ASN A 152 8.261 24.929 4.783 1.00 0.00 O
1154
+ ATOM 1153 N ASP A 153 4.677 25.702 1.720 1.00 0.00 N
1155
+ ATOM 1154 CA ASP A 153 4.161 24.780 0.714 1.00 0.00 C
1156
+ ATOM 1155 C ASP A 153 5.245 23.808 0.251 1.00 0.00 C
1157
+ ATOM 1156 CB ASP A 153 3.600 25.550 -0.483 1.00 0.00 C
1158
+ ATOM 1157 O ASP A 153 6.429 24.152 0.237 1.00 0.00 O
1159
+ ATOM 1158 CG ASP A 153 2.291 26.254 -0.174 1.00 0.00 C
1160
+ ATOM 1159 OD1 ASP A 153 1.706 26.010 0.904 1.00 0.00 O
1161
+ ATOM 1160 OD2 ASP A 153 1.837 27.058 -1.017 1.00 0.00 O
1162
+ ATOM 1161 N VAL A 154 4.798 22.652 -0.095 1.00 0.00 N
1163
+ ATOM 1162 CA VAL A 154 5.662 21.676 -0.750 1.00 0.00 C
1164
+ ATOM 1163 C VAL A 154 5.067 21.282 -2.100 1.00 0.00 C
1165
+ ATOM 1164 CB VAL A 154 5.869 20.423 0.127 1.00 0.00 C
1166
+ ATOM 1165 O VAL A 154 3.898 20.893 -2.180 1.00 0.00 O
1167
+ ATOM 1166 CG1 VAL A 154 6.809 19.432 -0.559 1.00 0.00 C
1168
+ ATOM 1167 CG2 VAL A 154 6.413 20.816 1.499 1.00 0.00 C
1169
+ ATOM 1168 N VAL A 155 5.872 21.442 -3.049 1.00 0.00 N
1170
+ ATOM 1169 CA VAL A 155 5.406 21.169 -4.405 1.00 0.00 C
1171
+ ATOM 1170 C VAL A 155 6.073 19.904 -4.936 1.00 0.00 C
1172
+ ATOM 1171 CB VAL A 155 5.686 22.358 -5.352 1.00 0.00 C
1173
+ ATOM 1172 O VAL A 155 7.250 19.654 -4.665 1.00 0.00 O
1174
+ ATOM 1173 CG1 VAL A 155 5.255 22.026 -6.779 1.00 0.00 C
1175
+ ATOM 1174 CG2 VAL A 155 4.975 23.615 -4.855 1.00 0.00 C
1176
+ ATOM 1175 N VAL A 156 5.258 19.027 -5.550 1.00 0.00 N
1177
+ ATOM 1176 CA VAL A 156 5.784 17.928 -6.354 1.00 0.00 C
1178
+ ATOM 1177 C VAL A 156 5.668 18.269 -7.837 1.00 0.00 C
1179
+ ATOM 1178 CB VAL A 156 5.048 16.602 -6.053 1.00 0.00 C
1180
+ ATOM 1179 O VAL A 156 4.563 18.336 -8.381 1.00 0.00 O
1181
+ ATOM 1180 CG1 VAL A 156 5.643 15.457 -6.869 1.00 0.00 C
1182
+ ATOM 1181 CG2 VAL A 156 5.108 16.286 -4.560 1.00 0.00 C
1183
+ ATOM 1182 N PRO A 157 6.775 18.534 -8.452 1.00 0.00 N
1184
+ ATOM 1183 CA PRO A 157 6.705 18.900 -9.868 1.00 0.00 C
1185
+ ATOM 1184 C PRO A 157 6.227 17.751 -10.752 1.00 0.00 C
1186
+ ATOM 1185 CB PRO A 157 8.149 19.283 -10.205 1.00 0.00 C
1187
+ ATOM 1186 O PRO A 157 6.245 16.592 -10.327 1.00 0.00 O
1188
+ ATOM 1187 CG PRO A 157 8.978 18.587 -9.175 1.00 0.00 C
1189
+ ATOM 1188 CD PRO A 157 8.106 18.270 -7.994 1.00 0.00 C
1190
+ ATOM 1189 N THR A 158 5.612 18.062 -11.847 1.00 0.00 N
1191
+ ATOM 1190 CA THR A 158 5.229 17.040 -12.817 1.00 0.00 C
1192
+ ATOM 1191 C THR A 158 6.454 16.275 -13.308 1.00 0.00 C
1193
+ ATOM 1192 CB THR A 158 4.490 17.659 -14.017 1.00 0.00 C
1194
+ ATOM 1193 O THR A 158 7.559 16.819 -13.345 1.00 0.00 O
1195
+ ATOM 1194 CG2 THR A 158 3.013 17.873 -13.704 1.00 0.00 C
1196
+ ATOM 1195 OG1 THR A 158 5.087 18.922 -14.339 1.00 0.00 O
1197
+ ATOM 1196 OXT THR A 158 5.716 15.335 -13.488 1.00 0.00 O
1198
+ TER 1197 THR A 158
1199
+ CONECT 22 310
1200
+ CONECT 310 22
1201
+ END
1uwf/1uwf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2azb/2azb_ligand.mol2 ADDED
@@ -0,0 +1,149 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:54 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2azb_ligand
7
+ 66 67 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C -26.8470 37.2260 19.4730 C.2 1 3TL 0.3239
14
+ 2 O1 -26.7550 38.4970 19.6010 O.2 1 3TL -0.3773
15
+ 3 O2 -27.1880 36.6440 18.0940 O.3 1 3TL -0.2506
16
+ 4 C1' -27.9010 37.4160 17.1510 C.3 1 3TL 0.1113
17
+ 5 C1 -29.3770 37.6270 17.4000 C.ar 1 3TL -0.0130
18
+ 6 C2 -29.8650 38.9920 17.4440 C.ar 1 3TL -0.0578
19
+ 7 C3 -31.2670 39.2600 17.6770 C.ar 1 3TL -0.0685
20
+ 8 C4 -32.1800 38.1470 17.8660 C.ar 1 3TL -0.0687
21
+ 9 C5 -31.6770 36.7670 17.8200 C.ar 1 3TL -0.0685
22
+ 10 C6 -30.2470 36.4850 17.5820 C.ar 1 3TL -0.0578
23
+ 11 N -26.7100 36.2950 20.3820 N.am 1 3TL -0.2413
24
+ 12 CA -26.4330 36.5970 21.6140 C.3 1 3TL 0.1300
25
+ 13 C -24.9340 36.4930 21.9900 C.2 1 3TL 0.2036
26
+ 14 O -24.2950 35.4450 21.6920 O.2 1 3TL -0.3944
27
+ 15 CB -27.3800 35.6640 22.2700 C.3 1 3TL -0.0244
28
+ 16 N -24.5090 37.5580 22.6650 N.am 1 3TL -0.2635
29
+ 17 CA -23.1720 37.7500 23.2530 C.3 1 3TL 0.1331
30
+ 18 C -23.3400 37.9860 24.7700 C.2 1 3TL 0.2024
31
+ 19 O -23.7300 39.0530 25.1190 O.2 1 3TL -0.3945
32
+ 20 CB -22.3990 38.8580 22.4950 C.3 1 3TL -0.0063
33
+ 21 CG1 -21.0300 39.0390 23.0890 C.3 1 3TL -0.0584
34
+ 22 CG2 -22.3120 38.4580 21.0360 C.3 1 3TL -0.0584
35
+ 23 N -23.0240 36.9680 25.5520 N.am 1 3TL -0.2778
36
+ 24 CA -23.0060 36.7260 27.0160 C.3 1 3TL 0.0745
37
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38
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39
+ 27 CB -24.1590 36.2340 27.7960 C.3 1 3TL 0.0061
40
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41
+ 29 CD1 -26.0690 35.0290 26.5620 C.ar 1 3TL -0.0603
42
+ 30 CD2 -26.2090 37.4310 27.4880 C.ar 1 3TL -0.0603
43
+ 31 CE1 -27.4110 35.0030 26.0280 C.ar 1 3TL -0.0686
44
+ 32 CE2 -27.5480 37.3780 26.9480 C.ar 1 3TL -0.0686
45
+ 33 CZ -28.1250 36.2200 26.2480 C.ar 1 3TL -0.0687
46
+ 34 H1 -27.7984 36.9212 16.1740 H 1 3TL 0.0776
47
+ 35 H2 -27.4278 38.4082 17.1110 H 1 3TL 0.0776
48
+ 36 H3 -29.1751 39.8159 17.3015 H 1 3TL 0.0557
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+ 37 H4 -31.6320 40.2802 17.7101 H 1 3TL 0.0599
50
+ 38 H5 -33.2333 38.3341 18.0411 H 1 3TL 0.0559
51
+ 39 H6 -32.3666 35.9429 17.9630 H 1 3TL 0.0599
52
+ 40 H7 -29.8670 35.4704 17.5454 H 1 3TL 0.0557
53
+ 41 H8 -26.8204 35.3353 20.1237 H 1 3TL 0.1899
54
+ 42 H9 -26.7331 37.6337 21.8265 H 1 3TL 0.0796
55
+ 43 H10 -27.2991 35.7672 23.3622 H 1 3TL 0.0277
56
+ 44 H11 -27.1370 34.6310 21.9803 H 1 3TL 0.0277
57
+ 45 H12 -28.4066 35.9015 21.9544 H 1 3TL 0.0277
58
+ 46 H13 -25.1639 38.3041 22.7854 H 1 3TL 0.1883
59
+ 47 H14 -22.6018 36.8179 23.1267 H 1 3TL 0.0802
60
+ 48 H15 -22.9486 39.8073 22.5774 H 1 3TL 0.0343
61
+ 49 H16 -20.4940 39.8279 22.5410 H 1 3TL 0.0234
62
+ 50 H17 -20.4700 38.0952 23.0140 H 1 3TL 0.0234
63
+ 51 H18 -21.1242 39.3264 24.1466 H 1 3TL 0.0234
64
+ 52 H19 -23.3263 38.3330 20.6290 H 1 3TL 0.0234
65
+ 53 H20 -21.7622 37.5094 20.9480 H 1 3TL 0.0234
66
+ 54 H21 -21.7845 39.2413 20.4719 H 1 3TL 0.0234
67
+ 55 H22 -22.7250 36.1682 25.0315 H 1 3TL 0.1857
68
+ 56 H23 -22.9052 37.7428 27.4233 H 1 3TL 0.0601
69
+ 57 H24 -21.6023 35.9410 28.4066 H 1 3TL 0.0582
70
+ 58 H25 -20.8805 36.7656 26.9832 H 1 3TL 0.0582
71
+ 59 H26 -20.5296 34.5509 27.0118 H 1 3TL 0.2095
72
+ 60 H27 -24.1946 36.8464 28.7090 H 1 3TL 0.0449
73
+ 61 H28 -23.9264 35.1923 28.0620 H 1 3TL 0.0449
74
+ 62 H29 -25.4429 34.1512 26.4503 H 1 3TL 0.0557
75
+ 63 H30 -25.7897 38.2887 28.0014 H 1 3TL 0.0557
76
+ 64 H31 -27.8328 34.1474 25.5131 H 1 3TL 0.0599
77
+ 65 H32 -28.1730 38.2556 27.0674 H 1 3TL 0.0599
78
+ 66 H33 -29.1423 36.2941 25.8811 H 1 3TL 0.0559
79
+ @<TRIPOS>BOND
80
+ 1 1 2 2
81
+ 2 1 3 1
82
+ 3 1 11 am
83
+ 4 3 4 1
84
+ 5 4 5 1
85
+ 6 5 6 ar
86
+ 7 5 10 ar
87
+ 8 6 7 ar
88
+ 9 7 8 ar
89
+ 10 8 9 ar
90
+ 11 9 10 ar
91
+ 12 11 12 1
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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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
+ 29 28 29 ar
109
+ 30 28 30 ar
110
+ 31 29 31 ar
111
+ 32 30 32 ar
112
+ 33 31 33 ar
113
+ 34 32 33 ar
114
+ 35 4 34 1
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
+ 47 16 46 1
127
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128
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129
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130
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131
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132
+ 53 22 52 1
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
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142
+ 63 29 62 1
143
+ 64 30 63 1
144
+ 65 31 64 1
145
+ 66 32 65 1
146
+ 67 33 66 1
147
+ @<TRIPOS>SUBSTRUCTURE
148
+ 1 3TL 1
149
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2azb/2azb_ligand.sdf ADDED
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+ M END
309
+ $$$$
2eh8/2eh8_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2eh8/2eh8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gnh/2gnh_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gnh/2gnh_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff