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THU-ATOM
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PDBbind

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linbc20 commited on
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1aeb3fa
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1 Parent(s): c8acc39

Add batch 51

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  1. 1a1e/1a1e_ligand.mol2 +163 -0
  2. 1a1e/1a1e_ligand.sdf +159 -0
  3. 1a1e/1a1e_protein_esmfold_aligned_tr_fix.pdb +846 -0
  4. 1a1e/1a1e_protein_processed_fix.pdb +0 -0
  5. 1b3g/1b3g_ligand.mol2 +147 -0
  6. 1b3g/1b3g_ligand.sdf +139 -0
  7. 1b3g/1b3g_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1b3g/1b3g_protein_processed_fix.pdb +0 -0
  9. 1c3e/1c3e_ligand.mol2 +126 -0
  10. 1c3e/1c3e_ligand.sdf +122 -0
  11. 1c3e/1c3e_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1c3e/1c3e_protein_processed_fix.pdb +0 -0
  13. 1e34/1e34_ligand.mol2 +94 -0
  14. 1e34/1e34_ligand.sdf +86 -0
  15. 1e34/1e34_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1e34/1e34_protein_processed_fix.pdb +0 -0
  17. 1hc9/1hc9_ligand.mol2 +480 -0
  18. 1hc9/1hc9_ligand.sdf +472 -0
  19. 1hc9/1hc9_protein_esmfold_aligned_tr_fix.pdb +566 -0
  20. 1hc9/1hc9_protein_processed_fix.pdb +1106 -0
  21. 1kfy/1kfy_ligand.mol2 +83 -0
  22. 1kfy/1kfy_ligand.sdf +73 -0
  23. 1kfy/1kfy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1kfy/1kfy_protein_processed_fix.pdb +0 -0
  25. 1ld7/1ld7_ligand.mol2 +137 -0
  26. 1ld7/1ld7_ligand.sdf +127 -0
  27. 1ld7/1ld7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1ld7/1ld7_protein_processed_fix.pdb +0 -0
  29. 1lpz/1lpz_ligand.mol2 +129 -0
  30. 1lpz/1lpz_ligand.sdf +117 -0
  31. 1lpz/1lpz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1lpz/1lpz_protein_processed_fix.pdb +0 -0
  33. 1m0b/1m0b_ligand.mol2 +216 -0
  34. 1m0b/1m0b_ligand.sdf +208 -0
  35. 1m0b/1m0b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1m0b/1m0b_protein_processed_fix.pdb +0 -0
  37. 1nfx/1nfx_ligand.mol2 +128 -0
  38. 1nfx/1nfx_ligand.sdf +118 -0
  39. 1nfx/1nfx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1nfx/1nfx_protein_processed_fix.pdb +0 -0
  41. 1nhw/1nhw_ligand.mol2 +67 -0
  42. 1nhw/1nhw_ligand.sdf +57 -0
  43. 1nhw/1nhw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1nhw/1nhw_protein_processed_fix.pdb +0 -0
  45. 1q4x/1q4x_ligand.mol2 +120 -0
  46. 1q4x/1q4x_ligand.sdf +112 -0
  47. 1q4x/1q4x_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1q4x/1q4x_protein_processed_fix.pdb +0 -0
  49. 1qxy/1qxy_ligand.mol2 +80 -0
  50. 1qxy/1qxy_ligand.sdf +70 -0
1a1e/1a1e_ligand.mol2 ADDED
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+ $$$$
1a1e/1a1e_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,846 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ILE A 1 30.824 13.220 39.518 1.00 0.00 N
3
+ ATOM 2 CA ILE A 1 31.921 12.287 39.286 1.00 0.00 C
4
+ ATOM 3 C ILE A 1 32.835 12.827 38.188 1.00 0.00 C
5
+ ATOM 4 CB ILE A 1 31.398 10.883 38.905 1.00 0.00 C
6
+ ATOM 5 O ILE A 1 34.059 12.838 38.341 1.00 0.00 O
7
+ ATOM 6 CG1 ILE A 1 30.623 10.268 40.075 1.00 0.00 C
8
+ ATOM 7 CG2 ILE A 1 32.553 9.975 38.474 1.00 0.00 C
9
+ ATOM 8 CD1 ILE A 1 29.804 9.040 39.698 1.00 0.00 C
10
+ ATOM 9 N GLN A 2 32.282 13.137 36.969 1.00 0.00 N
11
+ ATOM 10 CA GLN A 2 33.063 13.574 35.816 1.00 0.00 C
12
+ ATOM 11 C GLN A 2 33.931 14.780 36.163 1.00 0.00 C
13
+ ATOM 12 CB GLN A 2 32.143 13.909 34.640 1.00 0.00 C
14
+ ATOM 13 O GLN A 2 34.945 15.030 35.508 1.00 0.00 O
15
+ ATOM 14 CG GLN A 2 31.457 12.694 34.030 1.00 0.00 C
16
+ ATOM 15 CD GLN A 2 30.583 13.049 32.842 1.00 0.00 C
17
+ ATOM 16 NE2 GLN A 2 30.060 12.032 32.167 1.00 0.00 N
18
+ ATOM 17 OE1 GLN A 2 30.380 14.227 32.534 1.00 0.00 O
19
+ ATOM 18 N ALA A 3 33.529 15.413 37.258 1.00 0.00 N
20
+ ATOM 19 CA ALA A 3 34.264 16.625 37.609 1.00 0.00 C
21
+ ATOM 20 C ALA A 3 35.478 16.300 38.474 1.00 0.00 C
22
+ ATOM 21 CB ALA A 3 33.350 17.612 38.331 1.00 0.00 C
23
+ ATOM 22 O ALA A 3 36.327 17.161 38.713 1.00 0.00 O
24
+ ATOM 23 N GLU A 4 35.476 15.059 38.885 1.00 0.00 N
25
+ ATOM 24 CA GLU A 4 36.570 14.686 39.777 1.00 0.00 C
26
+ ATOM 25 C GLU A 4 37.877 14.519 39.007 1.00 0.00 C
27
+ ATOM 26 CB GLU A 4 36.235 13.395 40.529 1.00 0.00 C
28
+ ATOM 27 O GLU A 4 37.897 13.921 37.930 1.00 0.00 O
29
+ ATOM 28 CG GLU A 4 35.006 13.504 41.420 1.00 0.00 C
30
+ ATOM 29 CD GLU A 4 35.199 14.449 42.596 1.00 0.00 C
31
+ ATOM 30 OE1 GLU A 4 36.361 14.695 42.992 1.00 0.00 O
32
+ ATOM 31 OE2 GLU A 4 34.180 14.946 43.125 1.00 0.00 O
33
+ ATOM 32 N GLU A 5 38.995 15.055 39.571 1.00 0.00 N
34
+ ATOM 33 CA GLU A 5 40.304 14.992 38.928 1.00 0.00 C
35
+ ATOM 34 C GLU A 5 40.786 13.551 38.797 1.00 0.00 C
36
+ ATOM 35 CB GLU A 5 41.327 15.819 39.712 1.00 0.00 C
37
+ ATOM 36 O GLU A 5 41.505 13.215 37.854 1.00 0.00 O
38
+ ATOM 37 CG GLU A 5 41.073 17.319 39.661 1.00 0.00 C
39
+ ATOM 38 CD GLU A 5 42.122 18.130 40.405 1.00 0.00 C
40
+ ATOM 39 OE1 GLU A 5 42.921 17.538 41.166 1.00 0.00 O
41
+ ATOM 40 OE2 GLU A 5 42.145 19.369 40.227 1.00 0.00 O
42
+ ATOM 41 N TRP A 6 40.393 12.750 39.694 1.00 0.00 N
43
+ ATOM 42 CA TRP A 6 40.861 11.368 39.732 1.00 0.00 C
44
+ ATOM 43 C TRP A 6 40.042 10.490 38.792 1.00 0.00 C
45
+ ATOM 44 CB TRP A 6 40.791 10.816 41.159 1.00 0.00 C
46
+ ATOM 45 O TRP A 6 40.333 9.302 38.631 1.00 0.00 O
47
+ ATOM 46 CG TRP A 6 39.522 11.156 41.882 1.00 0.00 C
48
+ ATOM 47 CD1 TRP A 6 39.343 12.142 42.811 1.00 0.00 C
49
+ ATOM 48 CD2 TRP A 6 38.256 10.505 41.737 1.00 0.00 C
50
+ ATOM 49 CE2 TRP A 6 37.352 11.150 42.610 1.00 0.00 C
51
+ ATOM 50 CE3 TRP A 6 37.797 9.439 40.952 1.00 0.00 C
52
+ ATOM 51 NE1 TRP A 6 38.040 12.145 43.254 1.00 0.00 N
53
+ ATOM 52 CH2 TRP A 6 35.592 9.718 41.941 1.00 0.00 C
54
+ ATOM 53 CZ2 TRP A 6 36.015 10.764 42.720 1.00 0.00 C
55
+ ATOM 54 CZ3 TRP A 6 36.465 9.056 41.063 1.00 0.00 C
56
+ ATOM 55 N TYR A 7 38.994 10.926 38.200 1.00 0.00 N
57
+ ATOM 56 CA TYR A 7 38.172 10.140 37.288 1.00 0.00 C
58
+ ATOM 57 C TYR A 7 38.661 10.284 35.851 1.00 0.00 C
59
+ ATOM 58 CB TYR A 7 36.703 10.563 37.385 1.00 0.00 C
60
+ ATOM 59 O TYR A 7 38.609 11.375 35.278 1.00 0.00 O
61
+ ATOM 60 CG TYR A 7 35.789 9.798 36.460 1.00 0.00 C
62
+ ATOM 61 CD1 TYR A 7 35.515 8.449 36.676 1.00 0.00 C
63
+ ATOM 62 CD2 TYR A 7 35.197 10.422 35.366 1.00 0.00 C
64
+ ATOM 63 CE1 TYR A 7 34.675 7.740 35.825 1.00 0.00 C
65
+ ATOM 64 CE2 TYR A 7 34.354 9.721 34.508 1.00 0.00 C
66
+ ATOM 65 OH TYR A 7 33.266 7.686 33.899 1.00 0.00 O
67
+ ATOM 66 CZ TYR A 7 34.099 8.384 34.746 1.00 0.00 C
68
+ ATOM 67 N PHE A 8 39.099 9.198 35.215 1.00 0.00 N
69
+ ATOM 68 CA PHE A 8 39.732 9.240 33.902 1.00 0.00 C
70
+ ATOM 69 C PHE A 8 38.807 8.668 32.836 1.00 0.00 C
71
+ ATOM 70 CB PHE A 8 41.056 8.467 33.919 1.00 0.00 C
72
+ ATOM 71 O PHE A 8 39.165 8.621 31.657 1.00 0.00 O
73
+ ATOM 72 CG PHE A 8 42.210 9.251 34.483 1.00 0.00 C
74
+ ATOM 73 CD1 PHE A 8 43.329 9.522 33.706 1.00 0.00 C
75
+ ATOM 74 CD2 PHE A 8 42.174 9.718 35.791 1.00 0.00 C
76
+ ATOM 75 CE1 PHE A 8 44.399 10.248 34.225 1.00 0.00 C
77
+ ATOM 76 CE2 PHE A 8 43.240 10.445 36.316 1.00 0.00 C
78
+ ATOM 77 CZ PHE A 8 44.351 10.707 35.532 1.00 0.00 C
79
+ ATOM 78 N GLY A 9 37.645 8.249 33.285 1.00 0.00 N
80
+ ATOM 79 CA GLY A 9 36.656 7.775 32.329 1.00 0.00 C
81
+ ATOM 80 C GLY A 9 37.069 6.494 31.630 1.00 0.00 C
82
+ ATOM 81 O GLY A 9 37.456 5.521 32.281 1.00 0.00 O
83
+ ATOM 82 N LYS A 10 36.967 6.509 30.248 1.00 0.00 N
84
+ ATOM 83 CA LYS A 10 37.198 5.292 29.475 1.00 0.00 C
85
+ ATOM 84 C LYS A 10 38.663 5.172 29.064 1.00 0.00 C
86
+ ATOM 85 CB LYS A 10 36.302 5.266 28.235 1.00 0.00 C
87
+ ATOM 86 O LYS A 10 39.051 5.631 27.988 1.00 0.00 O
88
+ ATOM 87 CG LYS A 10 34.819 5.138 28.547 1.00 0.00 C
89
+ ATOM 88 CD LYS A 10 33.984 5.077 27.274 1.00 0.00 C
90
+ ATOM 89 CE LYS A 10 32.494 5.014 27.584 1.00 0.00 C
91
+ ATOM 90 NZ LYS A 10 31.669 5.009 26.340 1.00 0.00 N
92
+ ATOM 91 N ILE A 11 39.532 4.870 29.909 1.00 0.00 N
93
+ ATOM 92 CA ILE A 11 40.904 4.535 29.541 1.00 0.00 C
94
+ ATOM 93 C ILE A 11 41.168 3.058 29.827 1.00 0.00 C
95
+ ATOM 94 CB ILE A 11 41.924 5.417 30.297 1.00 0.00 C
96
+ ATOM 95 O ILE A 11 40.558 2.475 30.726 1.00 0.00 O
97
+ ATOM 96 CG1 ILE A 11 41.881 5.116 31.798 1.00 0.00 C
98
+ ATOM 97 CG2 ILE A 11 41.657 6.901 30.027 1.00 0.00 C
99
+ ATOM 98 CD1 ILE A 11 43.099 5.612 32.565 1.00 0.00 C
100
+ ATOM 99 N THR A 12 42.011 2.433 29.032 1.00 0.00 N
101
+ ATOM 100 CA THR A 12 42.312 1.011 29.158 1.00 0.00 C
102
+ ATOM 101 C THR A 12 43.196 0.751 30.375 1.00 0.00 C
103
+ ATOM 102 CB THR A 12 43.005 0.473 27.893 1.00 0.00 C
104
+ ATOM 103 O THR A 12 43.842 1.668 30.887 1.00 0.00 O
105
+ ATOM 104 CG2 THR A 12 42.188 0.787 26.643 1.00 0.00 C
106
+ ATOM 105 OG1 THR A 12 44.298 1.078 27.769 1.00 0.00 O
107
+ ATOM 106 N ARG A 13 43.098 -0.462 30.789 1.00 0.00 N
108
+ ATOM 107 CA ARG A 13 43.993 -0.911 31.850 1.00 0.00 C
109
+ ATOM 108 C ARG A 13 45.447 -0.604 31.506 1.00 0.00 C
110
+ ATOM 109 CB ARG A 13 43.820 -2.410 32.103 1.00 0.00 C
111
+ ATOM 110 O ARG A 13 46.196 -0.101 32.345 1.00 0.00 O
112
+ ATOM 111 CG ARG A 13 44.709 -2.956 33.209 1.00 0.00 C
113
+ ATOM 112 CD ARG A 13 44.420 -4.423 33.493 1.00 0.00 C
114
+ ATOM 113 NE ARG A 13 45.300 -4.956 34.528 1.00 0.00 N
115
+ ATOM 114 NH1 ARG A 13 43.589 -5.734 35.872 1.00 0.00 N
116
+ ATOM 115 NH2 ARG A 13 45.772 -6.012 36.512 1.00 0.00 N
117
+ ATOM 116 CZ ARG A 13 44.885 -5.566 35.635 1.00 0.00 C
118
+ ATOM 117 N ARG A 14 45.876 -0.878 30.341 1.00 0.00 N
119
+ ATOM 118 CA ARG A 14 47.248 -0.666 29.889 1.00 0.00 C
120
+ ATOM 119 C ARG A 14 47.613 0.815 29.925 1.00 0.00 C
121
+ ATOM 120 CB ARG A 14 47.440 -1.219 28.476 1.00 0.00 C
122
+ ATOM 121 O ARG A 14 48.722 1.176 30.322 1.00 0.00 O
123
+ ATOM 122 CG ARG A 14 48.888 -1.233 28.011 1.00 0.00 C
124
+ ATOM 123 CD ARG A 14 49.031 -1.852 26.629 1.00 0.00 C
125
+ ATOM 124 NE ARG A 14 50.419 -1.839 26.173 1.00 0.00 N
126
+ ATOM 125 NH1 ARG A 14 49.988 -2.911 24.172 1.00 0.00 N
127
+ ATOM 126 NH2 ARG A 14 52.126 -2.276 24.701 1.00 0.00 N
128
+ ATOM 127 CZ ARG A 14 50.841 -2.342 25.016 1.00 0.00 C
129
+ ATOM 128 N GLU A 15 46.736 1.670 29.421 1.00 0.00 N
130
+ ATOM 129 CA GLU A 15 46.982 3.109 29.453 1.00 0.00 C
131
+ ATOM 130 C GLU A 15 47.081 3.619 30.887 1.00 0.00 C
132
+ ATOM 131 CB GLU A 15 45.879 3.860 28.703 1.00 0.00 C
133
+ ATOM 132 O GLU A 15 47.925 4.463 31.194 1.00 0.00 O
134
+ ATOM 133 CG GLU A 15 46.094 5.365 28.640 1.00 0.00 C
135
+ ATOM 134 CD GLU A 15 47.387 5.758 27.944 1.00 0.00 C
136
+ ATOM 135 OE1 GLU A 15 48.051 4.876 27.353 1.00 0.00 O
137
+ ATOM 136 OE2 GLU A 15 47.740 6.958 27.991 1.00 0.00 O
138
+ ATOM 137 N SER A 16 46.219 3.066 31.760 1.00 0.00 N
139
+ ATOM 138 CA SER A 16 46.295 3.455 33.165 1.00 0.00 C
140
+ ATOM 139 C SER A 16 47.639 3.066 33.772 1.00 0.00 C
141
+ ATOM 140 CB SER A 16 45.161 2.811 33.963 1.00 0.00 C
142
+ ATOM 141 O SER A 16 48.220 3.829 34.546 1.00 0.00 O
143
+ ATOM 142 OG SER A 16 45.344 1.409 34.058 1.00 0.00 O
144
+ ATOM 143 N GLU A 17 48.131 1.927 33.461 1.00 0.00 N
145
+ ATOM 144 CA GLU A 17 49.431 1.479 33.954 1.00 0.00 C
146
+ ATOM 145 C GLU A 17 50.553 2.378 33.443 1.00 0.00 C
147
+ ATOM 146 CB GLU A 17 49.690 0.027 33.544 1.00 0.00 C
148
+ ATOM 147 O GLU A 17 51.461 2.736 34.197 1.00 0.00 O
149
+ ATOM 148 CG GLU A 17 48.831 -0.985 34.288 1.00 0.00 C
150
+ ATOM 149 CD GLU A 17 48.987 -2.404 33.763 1.00 0.00 C
151
+ ATOM 150 OE1 GLU A 17 49.665 -2.597 32.729 1.00 0.00 O
152
+ ATOM 151 OE2 GLU A 17 48.426 -3.328 34.392 1.00 0.00 O
153
+ ATOM 152 N ARG A 18 50.486 2.692 32.206 1.00 0.00 N
154
+ ATOM 153 CA ARG A 18 51.497 3.572 31.628 1.00 0.00 C
155
+ ATOM 154 C ARG A 18 51.562 4.897 32.379 1.00 0.00 C
156
+ ATOM 155 CB ARG A 18 51.207 3.823 30.147 1.00 0.00 C
157
+ ATOM 156 O ARG A 18 52.650 5.408 32.653 1.00 0.00 O
158
+ ATOM 157 CG ARG A 18 52.324 4.551 29.416 1.00 0.00 C
159
+ ATOM 158 CD ARG A 18 51.935 4.886 27.982 1.00 0.00 C
160
+ ATOM 159 NE ARG A 18 50.863 5.876 27.932 1.00 0.00 N
161
+ ATOM 160 NH1 ARG A 18 52.269 7.707 28.003 1.00 0.00 N
162
+ ATOM 161 NH2 ARG A 18 49.998 8.004 27.893 1.00 0.00 N
163
+ ATOM 162 CZ ARG A 18 51.046 7.193 27.943 1.00 0.00 C
164
+ ATOM 163 N LEU A 19 50.476 5.474 32.747 1.00 0.00 N
165
+ ATOM 164 CA LEU A 19 50.408 6.749 33.453 1.00 0.00 C
166
+ ATOM 165 C LEU A 19 50.883 6.599 34.894 1.00 0.00 C
167
+ ATOM 166 CB LEU A 19 48.980 7.300 33.429 1.00 0.00 C
168
+ ATOM 167 O LEU A 19 51.615 7.451 35.403 1.00 0.00 O
169
+ ATOM 168 CG LEU A 19 48.443 7.734 32.065 1.00 0.00 C
170
+ ATOM 169 CD1 LEU A 19 46.952 8.037 32.153 1.00 0.00 C
171
+ ATOM 170 CD2 LEU A 19 49.210 8.949 31.550 1.00 0.00 C
172
+ ATOM 171 N LEU A 20 50.549 5.504 35.516 1.00 0.00 N
173
+ ATOM 172 CA LEU A 20 50.794 5.337 36.944 1.00 0.00 C
174
+ ATOM 173 C LEU A 20 52.223 4.870 37.199 1.00 0.00 C
175
+ ATOM 174 CB LEU A 20 49.802 4.338 37.545 1.00 0.00 C
176
+ ATOM 175 O LEU A 20 52.765 5.081 38.286 1.00 0.00 O
177
+ ATOM 176 CG LEU A 20 48.370 4.838 37.739 1.00 0.00 C
178
+ ATOM 177 CD1 LEU A 20 47.438 3.669 38.040 1.00 0.00 C
179
+ ATOM 178 CD2 LEU A 20 48.313 5.876 38.854 1.00 0.00 C
180
+ ATOM 179 N LEU A 21 52.814 4.188 36.223 1.00 0.00 N
181
+ ATOM 180 CA LEU A 21 54.160 3.653 36.397 1.00 0.00 C
182
+ ATOM 181 C LEU A 21 55.211 4.715 36.090 1.00 0.00 C
183
+ ATOM 182 CB LEU A 21 54.373 2.432 35.500 1.00 0.00 C
184
+ ATOM 183 O LEU A 21 56.412 4.439 36.141 1.00 0.00 O
185
+ ATOM 184 CG LEU A 21 53.623 1.159 35.897 1.00 0.00 C
186
+ ATOM 185 CD1 LEU A 21 53.792 0.088 34.825 1.00 0.00 C
187
+ ATOM 186 CD2 LEU A 21 54.111 0.652 37.250 1.00 0.00 C
188
+ ATOM 187 N ASN A 22 54.774 5.900 35.842 1.00 0.00 N
189
+ ATOM 188 CA ASN A 22 55.746 6.982 35.734 1.00 0.00 C
190
+ ATOM 189 C ASN A 22 56.555 7.139 37.019 1.00 0.00 C
191
+ ATOM 190 CB ASN A 22 55.048 8.298 35.383 1.00 0.00 C
192
+ ATOM 191 O ASN A 22 55.986 7.238 38.107 1.00 0.00 O
193
+ ATOM 192 CG ASN A 22 56.026 9.406 35.045 1.00 0.00 C
194
+ ATOM 193 ND2 ASN A 22 55.578 10.371 34.251 1.00 0.00 N
195
+ ATOM 194 OD1 ASN A 22 57.176 9.394 35.494 1.00 0.00 O
196
+ ATOM 195 N ALA A 23 57.892 7.057 36.999 1.00 0.00 N
197
+ ATOM 196 CA ALA A 23 58.803 7.013 38.140 1.00 0.00 C
198
+ ATOM 197 C ALA A 23 58.584 8.209 39.063 1.00 0.00 C
199
+ ATOM 198 CB ALA A 23 60.252 6.970 37.664 1.00 0.00 C
200
+ ATOM 199 O ALA A 23 58.878 8.141 40.258 1.00 0.00 O
201
+ ATOM 200 N GLU A 24 58.082 9.223 38.618 1.00 0.00 N
202
+ ATOM 201 CA GLU A 24 57.900 10.422 39.432 1.00 0.00 C
203
+ ATOM 202 C GLU A 24 56.671 10.298 40.329 1.00 0.00 C
204
+ ATOM 203 CB GLU A 24 57.778 11.662 38.542 1.00 0.00 C
205
+ ATOM 204 O GLU A 24 56.490 11.093 41.254 1.00 0.00 O
206
+ ATOM 205 CG GLU A 24 59.048 11.992 37.770 1.00 0.00 C
207
+ ATOM 206 CD GLU A 24 58.958 13.298 36.997 1.00 0.00 C
208
+ ATOM 207 OE1 GLU A 24 57.846 13.865 36.890 1.00 0.00 O
209
+ ATOM 208 OE2 GLU A 24 60.007 13.758 36.493 1.00 0.00 O
210
+ ATOM 209 N ASN A 25 55.881 9.267 40.050 1.00 0.00 N
211
+ ATOM 210 CA ASN A 25 54.680 9.108 40.862 1.00 0.00 C
212
+ ATOM 211 C ASN A 25 54.989 8.430 42.194 1.00 0.00 C
213
+ ATOM 212 CB ASN A 25 53.616 8.317 40.099 1.00 0.00 C
214
+ ATOM 213 O ASN A 25 55.623 7.373 42.225 1.00 0.00 O
215
+ ATOM 214 CG ASN A 25 53.001 9.111 38.963 1.00 0.00 C
216
+ ATOM 215 ND2 ASN A 25 52.432 8.410 37.989 1.00 0.00 N
217
+ ATOM 216 OD1 ASN A 25 53.037 10.344 38.961 1.00 0.00 O
218
+ ATOM 217 N PRO A 26 54.662 9.144 43.250 1.00 0.00 N
219
+ ATOM 218 CA PRO A 26 54.835 8.466 44.538 1.00 0.00 C
220
+ ATOM 219 C PRO A 26 53.916 7.258 44.696 1.00 0.00 C
221
+ ATOM 220 CB PRO A 26 54.487 9.553 45.556 1.00 0.00 C
222
+ ATOM 221 O PRO A 26 52.947 7.111 43.947 1.00 0.00 O
223
+ ATOM 222 CG PRO A 26 53.493 10.426 44.861 1.00 0.00 C
224
+ ATOM 223 CD PRO A 26 53.820 10.447 43.396 1.00 0.00 C
225
+ ATOM 224 N ARG A 27 54.326 6.428 45.577 1.00 0.00 N
226
+ ATOM 225 CA ARG A 27 53.471 5.324 46.000 1.00 0.00 C
227
+ ATOM 226 C ARG A 27 52.105 5.830 46.451 1.00 0.00 C
228
+ ATOM 227 CB ARG A 27 54.135 4.530 47.127 1.00 0.00 C
229
+ ATOM 228 O ARG A 27 52.011 6.857 47.126 1.00 0.00 O
230
+ ATOM 229 CG ARG A 27 53.459 3.201 47.425 1.00 0.00 C
231
+ ATOM 230 CD ARG A 27 54.185 2.433 48.521 1.00 0.00 C
232
+ ATOM 231 NE ARG A 27 53.573 1.130 48.761 1.00 0.00 N
233
+ ATOM 232 NH1 ARG A 27 54.716 0.723 50.727 1.00 0.00 N
234
+ ATOM 233 NH2 ARG A 27 53.224 -0.820 49.924 1.00 0.00 N
235
+ ATOM 234 CZ ARG A 27 53.839 0.347 49.803 1.00 0.00 C
236
+ ATOM 235 N GLY A 28 51.004 5.109 45.916 1.00 0.00 N
237
+ ATOM 236 CA GLY A 28 49.655 5.509 46.282 1.00 0.00 C
238
+ ATOM 237 C GLY A 28 49.012 6.437 45.269 1.00 0.00 C
239
+ ATOM 238 O GLY A 28 47.882 6.890 45.463 1.00 0.00 O
240
+ ATOM 239 N THR A 29 49.772 6.766 44.177 1.00 0.00 N
241
+ ATOM 240 CA THR A 29 49.150 7.498 43.077 1.00 0.00 C
242
+ ATOM 241 C THR A 29 48.021 6.682 42.455 1.00 0.00 C
243
+ ATOM 242 CB THR A 29 50.183 7.860 41.994 1.00 0.00 C
244
+ ATOM 243 O THR A 29 48.167 5.478 42.233 1.00 0.00 O
245
+ ATOM 244 CG2 THR A 29 49.541 8.668 40.871 1.00 0.00 C
246
+ ATOM 245 OG1 THR A 29 51.234 8.635 42.584 1.00 0.00 O
247
+ ATOM 246 N PHE A 30 46.902 7.319 42.168 1.00 0.00 N
248
+ ATOM 247 CA PHE A 30 45.747 6.503 41.812 1.00 0.00 C
249
+ ATOM 248 C PHE A 30 44.886 7.210 40.772 1.00 0.00 C
250
+ ATOM 249 CB PHE A 30 44.910 6.181 43.054 1.00 0.00 C
251
+ ATOM 250 O PHE A 30 45.015 8.419 40.569 1.00 0.00 O
252
+ ATOM 251 CG PHE A 30 44.165 7.364 43.608 1.00 0.00 C
253
+ ATOM 252 CD1 PHE A 30 44.794 8.262 44.462 1.00 0.00 C
254
+ ATOM 253 CD2 PHE A 30 42.834 7.580 43.275 1.00 0.00 C
255
+ ATOM 254 CE1 PHE A 30 44.107 9.359 44.977 1.00 0.00 C
256
+ ATOM 255 CE2 PHE A 30 42.140 8.674 43.785 1.00 0.00 C
257
+ ATOM 256 CZ PHE A 30 42.779 9.561 44.636 1.00 0.00 C
258
+ ATOM 257 N LEU A 31 44.009 6.552 40.173 1.00 0.00 N
259
+ ATOM 258 CA LEU A 31 42.938 7.050 39.318 1.00 0.00 C
260
+ ATOM 259 C LEU A 31 41.772 6.067 39.280 1.00 0.00 C
261
+ ATOM 260 CB LEU A 31 43.456 7.300 37.899 1.00 0.00 C
262
+ ATOM 261 O LEU A 31 41.930 4.897 39.637 1.00 0.00 O
263
+ ATOM 262 CG LEU A 31 44.035 6.090 37.166 1.00 0.00 C
264
+ ATOM 263 CD1 LEU A 31 42.913 5.242 36.574 1.00 0.00 C
265
+ ATOM 264 CD2 LEU A 31 45.005 6.537 36.077 1.00 0.00 C
266
+ ATOM 265 N VAL A 32 40.624 6.530 38.969 1.00 0.00 N
267
+ ATOM 266 CA VAL A 32 39.419 5.729 38.786 1.00 0.00 C
268
+ ATOM 267 C VAL A 32 39.007 5.742 37.315 1.00 0.00 C
269
+ ATOM 268 CB VAL A 32 38.257 6.240 39.668 1.00 0.00 C
270
+ ATOM 269 O VAL A 32 38.994 6.797 36.678 1.00 0.00 O
271
+ ATOM 270 CG1 VAL A 32 36.970 5.477 39.363 1.00 0.00 C
272
+ ATOM 271 CG2 VAL A 32 38.619 6.115 41.148 1.00 0.00 C
273
+ ATOM 272 N ARG A 33 38.706 4.605 36.805 1.00 0.00 N
274
+ ATOM 273 CA ARG A 33 38.338 4.473 35.398 1.00 0.00 C
275
+ ATOM 274 C ARG A 33 37.130 3.555 35.232 1.00 0.00 C
276
+ ATOM 275 CB ARG A 33 39.517 3.939 34.582 1.00 0.00 C
277
+ ATOM 276 O ARG A 33 36.750 2.846 36.167 1.00 0.00 O
278
+ ATOM 277 CG ARG A 33 40.065 2.613 35.085 1.00 0.00 C
279
+ ATOM 278 CD ARG A 33 41.292 2.175 34.296 1.00 0.00 C
280
+ ATOM 279 NE ARG A 33 41.833 0.915 34.799 1.00 0.00 N
281
+ ATOM 280 NH1 ARG A 33 40.214 -0.410 33.817 1.00 0.00 N
282
+ ATOM 281 NH2 ARG A 33 41.882 -1.365 35.066 1.00 0.00 N
283
+ ATOM 282 CZ ARG A 33 41.308 -0.284 34.560 1.00 0.00 C
284
+ ATOM 283 N GLU A 34 36.549 3.586 34.053 1.00 0.00 N
285
+ ATOM 284 CA GLU A 34 35.504 2.627 33.708 1.00 0.00 C
286
+ ATOM 285 C GLU A 34 36.096 1.254 33.399 1.00 0.00 C
287
+ ATOM 286 CB GLU A 34 34.686 3.128 32.515 1.00 0.00 C
288
+ ATOM 287 O GLU A 34 37.179 1.156 32.819 1.00 0.00 O
289
+ ATOM 288 CG GLU A 34 33.885 4.389 32.804 1.00 0.00 C
290
+ ATOM 289 CD GLU A 34 33.086 4.879 31.608 1.00 0.00 C
291
+ ATOM 290 OE1 GLU A 34 32.723 4.053 30.740 1.00 0.00 O
292
+ ATOM 291 OE2 GLU A 34 32.824 6.101 31.535 1.00 0.00 O
293
+ ATOM 292 N SER A 35 35.406 0.260 33.892 1.00 0.00 N
294
+ ATOM 293 CA SER A 35 35.853 -1.098 33.604 1.00 0.00 C
295
+ ATOM 294 C SER A 35 35.710 -1.425 32.121 1.00 0.00 C
296
+ ATOM 295 CB SER A 35 35.064 -2.110 34.436 1.00 0.00 C
297
+ ATOM 296 O SER A 35 34.703 -1.083 31.499 1.00 0.00 O
298
+ ATOM 297 OG SER A 35 35.384 -3.437 34.052 1.00 0.00 O
299
+ ATOM 298 N GLU A 36 36.727 -2.126 31.638 1.00 0.00 N
300
+ ATOM 299 CA GLU A 36 36.652 -2.543 30.240 1.00 0.00 C
301
+ ATOM 300 C GLU A 36 35.800 -3.798 30.083 1.00 0.00 C
302
+ ATOM 301 CB GLU A 36 38.054 -2.784 29.674 1.00 0.00 C
303
+ ATOM 302 O GLU A 36 35.160 -3.995 29.047 1.00 0.00 O
304
+ ATOM 303 CG GLU A 36 38.908 -1.528 29.590 1.00 0.00 C
305
+ ATOM 304 CD GLU A 36 40.337 -1.802 29.152 1.00 0.00 C
306
+ ATOM 305 OE1 GLU A 36 41.166 -2.205 30.001 1.00 0.00 O
307
+ ATOM 306 OE2 GLU A 36 40.633 -1.612 27.951 1.00 0.00 O
308
+ ATOM 307 N THR A 37 35.727 -4.561 31.084 1.00 0.00 N
309
+ ATOM 308 CA THR A 37 35.167 -5.899 30.933 1.00 0.00 C
310
+ ATOM 309 C THR A 37 33.741 -5.954 31.474 1.00 0.00 C
311
+ ATOM 310 CB THR A 37 36.032 -6.952 31.650 1.00 0.00 C
312
+ ATOM 311 O THR A 37 32.972 -6.851 31.125 1.00 0.00 O
313
+ ATOM 312 CG2 THR A 37 37.412 -7.059 31.009 1.00 0.00 C
314
+ ATOM 313 OG1 THR A 37 36.184 -6.580 33.026 1.00 0.00 O
315
+ ATOM 314 N THR A 38 33.456 -5.038 32.370 1.00 0.00 N
316
+ ATOM 315 CA THR A 38 32.140 -5.009 32.997 1.00 0.00 C
317
+ ATOM 316 C THR A 38 31.460 -3.662 32.764 1.00 0.00 C
318
+ ATOM 317 CB THR A 38 32.235 -5.283 34.509 1.00 0.00 C
319
+ ATOM 318 O THR A 38 31.937 -2.630 33.240 1.00 0.00 O
320
+ ATOM 319 CG2 THR A 38 30.851 -5.452 35.126 1.00 0.00 C
321
+ ATOM 320 OG1 THR A 38 32.990 -6.482 34.724 1.00 0.00 O
322
+ ATOM 321 N LYS A 39 30.417 -3.687 32.010 1.00 0.00 N
323
+ ATOM 322 CA LYS A 39 29.669 -2.469 31.717 1.00 0.00 C
324
+ ATOM 323 C LYS A 39 29.087 -1.861 32.989 1.00 0.00 C
325
+ ATOM 324 CB LYS A 39 28.549 -2.754 30.714 1.00 0.00 C
326
+ ATOM 325 O LYS A 39 28.450 -2.558 33.782 1.00 0.00 O
327
+ ATOM 326 CG LYS A 39 27.869 -1.506 30.173 1.00 0.00 C
328
+ ATOM 327 CD LYS A 39 26.820 -1.851 29.123 1.00 0.00 C
329
+ ATOM 328 CE LYS A 39 26.111 -0.605 28.610 1.00 0.00 C
330
+ ATOM 329 NZ LYS A 39 25.086 -0.938 27.575 1.00 0.00 N
331
+ ATOM 330 N GLY A 40 29.345 -0.578 33.074 1.00 0.00 N
332
+ ATOM 331 CA GLY A 40 28.776 0.141 34.204 1.00 0.00 C
333
+ ATOM 332 C GLY A 40 29.624 0.049 35.458 1.00 0.00 C
334
+ ATOM 333 O GLY A 40 29.320 0.690 36.467 1.00 0.00 O
335
+ ATOM 334 N ALA A 41 30.639 -0.862 35.485 1.00 0.00 N
336
+ ATOM 335 CA ALA A 41 31.530 -0.997 36.634 1.00 0.00 C
337
+ ATOM 336 C ALA A 41 32.735 -0.070 36.504 1.00 0.00 C
338
+ ATOM 337 CB ALA A 41 31.991 -2.445 36.784 1.00 0.00 C
339
+ ATOM 338 O ALA A 41 33.031 0.426 35.415 1.00 0.00 O
340
+ ATOM 339 N TYR A 42 33.350 0.240 37.556 1.00 0.00 N
341
+ ATOM 340 CA TYR A 42 34.549 1.069 37.598 1.00 0.00 C
342
+ ATOM 341 C TYR A 42 35.731 0.289 38.162 1.00 0.00 C
343
+ ATOM 342 CB TYR A 42 34.304 2.326 38.438 1.00 0.00 C
344
+ ATOM 343 O TYR A 42 35.553 -0.769 38.768 1.00 0.00 O
345
+ ATOM 344 CG TYR A 42 33.173 3.186 37.927 1.00 0.00 C
346
+ ATOM 345 CD1 TYR A 42 33.394 4.150 36.947 1.00 0.00 C
347
+ ATOM 346 CD2 TYR A 42 31.883 3.037 38.426 1.00 0.00 C
348
+ ATOM 347 CE1 TYR A 42 32.356 4.947 36.475 1.00 0.00 C
349
+ ATOM 348 CE2 TYR A 42 30.838 3.828 37.961 1.00 0.00 C
350
+ ATOM 349 OH TYR A 42 30.052 5.565 36.523 1.00 0.00 O
351
+ ATOM 350 CZ TYR A 42 31.084 4.778 36.987 1.00 0.00 C
352
+ ATOM 351 N CYS A 43 36.870 0.793 37.978 1.00 0.00 N
353
+ ATOM 352 CA CYS A 43 38.099 0.218 38.513 1.00 0.00 C
354
+ ATOM 353 C CYS A 43 38.962 1.290 39.169 1.00 0.00 C
355
+ ATOM 354 CB CYS A 43 38.891 -0.479 37.406 1.00 0.00 C
356
+ ATOM 355 O CYS A 43 39.053 2.411 38.669 1.00 0.00 O
357
+ ATOM 356 SG CYS A 43 38.069 -1.939 36.732 1.00 0.00 S
358
+ ATOM 357 N LEU A 44 39.448 0.973 40.267 1.00 0.00 N
359
+ ATOM 358 CA LEU A 44 40.461 1.761 40.962 1.00 0.00 C
360
+ ATOM 359 C LEU A 44 41.859 1.228 40.669 1.00 0.00 C
361
+ ATOM 360 CB LEU A 44 40.204 1.751 42.472 1.00 0.00 C
362
+ ATOM 361 O LEU A 44 42.139 0.049 40.896 1.00 0.00 O
363
+ ATOM 362 CG LEU A 44 41.265 2.425 43.343 1.00 0.00 C
364
+ ATOM 363 CD1 LEU A 44 41.262 3.932 43.112 1.00 0.00 C
365
+ ATOM 364 CD2 LEU A 44 41.030 2.103 44.816 1.00 0.00 C
366
+ ATOM 365 N SER A 45 42.724 2.011 40.129 1.00 0.00 N
367
+ ATOM 366 CA SER A 45 44.115 1.654 39.869 1.00 0.00 C
368
+ ATOM 367 C SER A 45 45.064 2.436 40.771 1.00 0.00 C
369
+ ATOM 368 CB SER A 45 44.468 1.907 38.403 1.00 0.00 C
370
+ ATOM 369 O SER A 45 44.986 3.665 40.845 1.00 0.00 O
371
+ ATOM 370 OG SER A 45 43.639 1.138 37.547 1.00 0.00 O
372
+ ATOM 371 N VAL A 46 45.930 1.761 41.409 1.00 0.00 N
373
+ ATOM 372 CA VAL A 46 46.801 2.383 42.401 1.00 0.00 C
374
+ ATOM 373 C VAL A 46 48.238 1.911 42.196 1.00 0.00 C
375
+ ATOM 374 CB VAL A 46 46.337 2.066 43.841 1.00 0.00 C
376
+ ATOM 375 O VAL A 46 48.491 0.714 42.044 1.00 0.00 O
377
+ ATOM 376 CG1 VAL A 46 47.136 2.880 44.858 1.00 0.00 C
378
+ ATOM 377 CG2 VAL A 46 44.841 2.337 43.992 1.00 0.00 C
379
+ ATOM 378 N SER A 47 49.163 2.857 42.167 1.00 0.00 N
380
+ ATOM 379 CA SER A 47 50.579 2.523 42.063 1.00 0.00 C
381
+ ATOM 380 C SER A 47 51.130 2.024 43.395 1.00 0.00 C
382
+ ATOM 381 CB SER A 47 51.383 3.737 41.593 1.00 0.00 C
383
+ ATOM 382 O SER A 47 50.775 2.547 44.454 1.00 0.00 O
384
+ ATOM 383 OG SER A 47 51.354 4.766 42.566 1.00 0.00 O
385
+ ATOM 384 N ASP A 48 51.851 0.970 43.291 1.00 0.00 N
386
+ ATOM 385 CA ASP A 48 52.525 0.393 44.451 1.00 0.00 C
387
+ ATOM 386 C ASP A 48 53.969 0.023 44.118 1.00 0.00 C
388
+ ATOM 387 CB ASP A 48 51.770 -0.838 44.954 1.00 0.00 C
389
+ ATOM 388 O ASP A 48 54.348 -0.030 42.946 1.00 0.00 O
390
+ ATOM 389 CG ASP A 48 52.118 -1.203 46.386 1.00 0.00 C
391
+ ATOM 390 OD1 ASP A 48 52.728 -0.375 47.096 1.00 0.00 O
392
+ ATOM 391 OD2 ASP A 48 51.782 -2.331 46.808 1.00 0.00 O
393
+ ATOM 392 N PHE A 49 54.758 0.009 45.063 1.00 0.00 N
394
+ ATOM 393 CA PHE A 49 56.149 -0.410 44.924 1.00 0.00 C
395
+ ATOM 394 C PHE A 49 56.454 -1.589 45.839 1.00 0.00 C
396
+ ATOM 395 CB PHE A 49 57.095 0.755 45.233 1.00 0.00 C
397
+ ATOM 396 O PHE A 49 56.166 -1.543 47.037 1.00 0.00 O
398
+ ATOM 397 CG PHE A 49 58.548 0.431 45.009 1.00 0.00 C
399
+ ATOM 398 CD1 PHE A 49 59.114 0.553 43.747 1.00 0.00 C
400
+ ATOM 399 CD2 PHE A 49 59.348 0.007 46.063 1.00 0.00 C
401
+ ATOM 400 CE1 PHE A 49 60.458 0.255 43.536 1.00 0.00 C
402
+ ATOM 401 CE2 PHE A 49 60.692 -0.293 45.860 1.00 0.00 C
403
+ ATOM 402 CZ PHE A 49 61.245 -0.168 44.596 1.00 0.00 C
404
+ ATOM 403 N ASP A 50 56.729 -2.758 45.266 1.00 0.00 N
405
+ ATOM 404 CA ASP A 50 57.181 -3.953 45.972 1.00 0.00 C
406
+ ATOM 405 C ASP A 50 58.661 -4.220 45.710 1.00 0.00 C
407
+ ATOM 406 CB ASP A 50 56.346 -5.167 45.558 1.00 0.00 C
408
+ ATOM 407 O ASP A 50 59.124 -4.118 44.572 1.00 0.00 O
409
+ ATOM 408 CG ASP A 50 56.757 -6.441 46.276 1.00 0.00 C
410
+ ATOM 409 OD1 ASP A 50 57.800 -7.032 45.920 1.00 0.00 O
411
+ ATOM 410 OD2 ASP A 50 56.030 -6.860 47.202 1.00 0.00 O
412
+ ATOM 411 N ASN A 51 59.537 -4.395 46.825 1.00 0.00 N
413
+ ATOM 412 CA ASN A 51 60.980 -4.579 46.712 1.00 0.00 C
414
+ ATOM 413 C ASN A 51 61.328 -5.674 45.708 1.00 0.00 C
415
+ ATOM 414 CB ASN A 51 61.590 -4.898 48.078 1.00 0.00 C
416
+ ATOM 415 O ASN A 51 62.327 -5.571 44.993 1.00 0.00 O
417
+ ATOM 416 CG ASN A 51 61.596 -3.701 49.009 1.00 0.00 C
418
+ ATOM 417 ND2 ASN A 51 61.622 -3.963 50.310 1.00 0.00 N
419
+ ATOM 418 OD1 ASN A 51 61.577 -2.552 48.562 1.00 0.00 O
420
+ ATOM 419 N ALA A 52 60.518 -6.652 45.713 1.00 0.00 N
421
+ ATOM 420 CA ALA A 52 60.791 -7.780 44.825 1.00 0.00 C
422
+ ATOM 421 C ALA A 52 60.349 -7.474 43.397 1.00 0.00 C
423
+ ATOM 422 CB ALA A 52 60.094 -9.039 45.336 1.00 0.00 C
424
+ ATOM 423 O ALA A 52 61.068 -7.775 42.441 1.00 0.00 O
425
+ ATOM 424 N LYS A 53 59.299 -6.828 43.154 1.00 0.00 N
426
+ ATOM 425 CA LYS A 53 58.676 -6.699 41.839 1.00 0.00 C
427
+ ATOM 426 C LYS A 53 58.921 -5.313 41.249 1.00 0.00 C
428
+ ATOM 427 CB LYS A 53 57.175 -6.974 41.927 1.00 0.00 C
429
+ ATOM 428 O LYS A 53 58.840 -5.127 40.034 1.00 0.00 O
430
+ ATOM 429 CG LYS A 53 56.829 -8.420 42.251 1.00 0.00 C
431
+ ATOM 430 CD LYS A 53 55.321 -8.640 42.283 1.00 0.00 C
432
+ ATOM 431 CE LYS A 53 54.973 -10.073 42.665 1.00 0.00 C
433
+ ATOM 432 NZ LYS A 53 53.498 -10.270 42.787 1.00 0.00 N
434
+ ATOM 433 N GLY A 54 59.431 -4.411 42.165 1.00 0.00 N
435
+ ATOM 434 CA GLY A 54 59.543 -3.047 41.671 1.00 0.00 C
436
+ ATOM 435 C GLY A 54 58.202 -2.352 41.531 1.00 0.00 C
437
+ ATOM 436 O GLY A 54 57.253 -2.670 42.252 1.00 0.00 O
438
+ ATOM 437 N LEU A 55 58.128 -1.317 40.777 1.00 0.00 N
439
+ ATOM 438 CA LEU A 55 56.927 -0.518 40.567 1.00 0.00 C
440
+ ATOM 439 C LEU A 55 55.830 -1.348 39.908 1.00 0.00 C
441
+ ATOM 440 CB LEU A 55 57.242 0.708 39.705 1.00 0.00 C
442
+ ATOM 441 O LEU A 55 56.083 -2.054 38.929 1.00 0.00 O
443
+ ATOM 442 CG LEU A 55 58.022 1.833 40.386 1.00 0.00 C
444
+ ATOM 443 CD1 LEU A 55 58.604 2.782 39.344 1.00 0.00 C
445
+ ATOM 444 CD2 LEU A 55 57.126 2.589 41.363 1.00 0.00 C
446
+ ATOM 445 N ASN A 56 54.682 -1.388 40.498 1.00 0.00 N
447
+ ATOM 446 CA ASN A 56 53.547 -2.102 39.923 1.00 0.00 C
448
+ ATOM 447 C ASN A 56 52.234 -1.368 40.183 1.00 0.00 C
449
+ ATOM 448 CB ASN A 56 53.475 -3.528 40.472 1.00 0.00 C
450
+ ATOM 449 O ASN A 56 52.211 -0.361 40.893 1.00 0.00 O
451
+ ATOM 450 CG ASN A 56 53.242 -3.567 41.969 1.00 0.00 C
452
+ ATOM 451 ND2 ASN A 56 54.198 -4.122 42.704 1.00 0.00 N
453
+ ATOM 452 OD1 ASN A 56 52.210 -3.102 42.461 1.00 0.00 O
454
+ ATOM 453 N VAL A 57 51.234 -1.694 39.523 1.00 0.00 N
455
+ ATOM 454 CA VAL A 57 49.907 -1.102 39.649 1.00 0.00 C
456
+ ATOM 455 C VAL A 57 48.899 -2.173 40.057 1.00 0.00 C
457
+ ATOM 456 CB VAL A 57 49.460 -0.424 38.335 1.00 0.00 C
458
+ ATOM 457 O VAL A 57 48.844 -3.246 39.452 1.00 0.00 O
459
+ ATOM 458 CG1 VAL A 57 48.053 0.152 38.474 1.00 0.00 C
460
+ ATOM 459 CG2 VAL A 57 50.451 0.669 37.935 1.00 0.00 C
461
+ ATOM 460 N LYS A 58 48.187 -1.972 41.089 1.00 0.00 N
462
+ ATOM 461 CA LYS A 58 47.107 -2.854 41.520 1.00 0.00 C
463
+ ATOM 462 C LYS A 58 45.750 -2.328 41.062 1.00 0.00 C
464
+ ATOM 463 CB LYS A 58 47.120 -3.015 43.041 1.00 0.00 C
465
+ ATOM 464 O LYS A 58 45.477 -1.130 41.160 1.00 0.00 O
466
+ ATOM 465 CG LYS A 58 48.400 -3.629 43.588 1.00 0.00 C
467
+ ATOM 466 CD LYS A 58 48.526 -5.097 43.201 1.00 0.00 C
468
+ ATOM 467 CE LYS A 58 49.776 -5.729 43.799 1.00 0.00 C
469
+ ATOM 468 NZ LYS A 58 49.881 -7.179 43.459 1.00 0.00 N
470
+ ATOM 469 N HIS A 59 44.971 -3.197 40.553 1.00 0.00 N
471
+ ATOM 470 CA HIS A 59 43.639 -2.858 40.066 1.00 0.00 C
472
+ ATOM 471 C HIS A 59 42.556 -3.474 40.945 1.00 0.00 C
473
+ ATOM 472 CB HIS A 59 43.465 -3.320 38.618 1.00 0.00 C
474
+ ATOM 473 O HIS A 59 42.598 -4.671 41.241 1.00 0.00 O
475
+ ATOM 474 CG HIS A 59 44.533 -2.821 37.697 1.00 0.00 C
476
+ ATOM 475 CD2 HIS A 59 45.667 -3.409 37.249 1.00 0.00 C
477
+ ATOM 476 ND1 HIS A 59 44.497 -1.567 37.127 1.00 0.00 N
478
+ ATOM 477 CE1 HIS A 59 45.566 -1.405 36.366 1.00 0.00 C
479
+ ATOM 478 NE2 HIS A 59 46.293 -2.508 36.423 1.00 0.00 N
480
+ ATOM 479 N TYR A 60 41.689 -2.642 41.380 1.00 0.00 N
481
+ ATOM 480 CA TYR A 60 40.579 -3.086 42.215 1.00 0.00 C
482
+ ATOM 481 C TYR A 60 39.241 -2.797 41.544 1.00 0.00 C
483
+ ATOM 482 CB TYR A 60 40.633 -2.407 43.587 1.00 0.00 C
484
+ ATOM 483 O TYR A 60 38.940 -1.646 41.216 1.00 0.00 O
485
+ ATOM 484 CG TYR A 60 41.905 -2.684 44.352 1.00 0.00 C
486
+ ATOM 485 CD1 TYR A 60 42.009 -3.792 45.189 1.00 0.00 C
487
+ ATOM 486 CD2 TYR A 60 43.002 -1.838 44.238 1.00 0.00 C
488
+ ATOM 487 CE1 TYR A 60 43.178 -4.050 45.897 1.00 0.00 C
489
+ ATOM 488 CE2 TYR A 60 44.176 -2.086 44.942 1.00 0.00 C
490
+ ATOM 489 OH TYR A 60 45.415 -3.443 46.466 1.00 0.00 O
491
+ ATOM 490 CZ TYR A 60 44.254 -3.193 45.767 1.00 0.00 C
492
+ ATOM 491 N LYS A 61 38.453 -3.792 41.366 1.00 0.00 N
493
+ ATOM 492 CA LYS A 61 37.120 -3.591 40.806 1.00 0.00 C
494
+ ATOM 493 C LYS A 61 36.200 -2.901 41.810 1.00 0.00 C
495
+ ATOM 494 CB LYS A 61 36.512 -4.926 40.372 1.00 0.00 C
496
+ ATOM 495 O LYS A 61 36.114 -3.316 42.968 1.00 0.00 O
497
+ ATOM 496 CG LYS A 61 35.226 -4.790 39.572 1.00 0.00 C
498
+ ATOM 497 CD LYS A 61 34.764 -6.134 39.023 1.00 0.00 C
499
+ ATOM 498 CE LYS A 61 33.535 -5.984 38.138 1.00 0.00 C
500
+ ATOM 499 NZ LYS A 61 33.124 -7.288 37.534 1.00 0.00 N
501
+ ATOM 500 N ILE A 62 35.580 -1.772 41.353 1.00 0.00 N
502
+ ATOM 501 CA ILE A 62 34.530 -1.114 42.123 1.00 0.00 C
503
+ ATOM 502 C ILE A 62 33.162 -1.591 41.642 1.00 0.00 C
504
+ ATOM 503 CB ILE A 62 34.630 0.424 42.014 1.00 0.00 C
505
+ ATOM 504 O ILE A 62 32.788 -1.365 40.489 1.00 0.00 O
506
+ ATOM 505 CG1 ILE A 62 36.021 0.902 42.447 1.00 0.00 C
507
+ ATOM 506 CG2 ILE A 62 33.536 1.097 42.849 1.00 0.00 C
508
+ ATOM 507 CD1 ILE A 62 36.330 2.341 42.059 1.00 0.00 C
509
+ ATOM 508 N ARG A 63 32.512 -2.244 42.529 1.00 0.00 N
510
+ ATOM 509 CA ARG A 63 31.196 -2.776 42.199 1.00 0.00 C
511
+ ATOM 510 C ARG A 63 30.090 -1.848 42.690 1.00 0.00 C
512
+ ATOM 511 CB ARG A 63 31.013 -4.172 42.799 1.00 0.00 C
513
+ ATOM 512 O ARG A 63 30.280 -1.104 43.654 1.00 0.00 O
514
+ ATOM 513 CG ARG A 63 32.008 -5.200 42.285 1.00 0.00 C
515
+ ATOM 514 CD ARG A 63 31.816 -6.555 42.951 1.00 0.00 C
516
+ ATOM 515 NE ARG A 63 32.786 -7.534 42.471 1.00 0.00 N
517
+ ATOM 516 NH1 ARG A 63 31.967 -9.278 43.746 1.00 0.00 N
518
+ ATOM 517 NH2 ARG A 63 33.762 -9.611 42.360 1.00 0.00 N
519
+ ATOM 518 CZ ARG A 63 32.835 -8.806 42.860 1.00 0.00 C
520
+ ATOM 519 N LYS A 64 29.059 -1.833 41.960 1.00 0.00 N
521
+ ATOM 520 CA LYS A 64 27.869 -1.059 42.301 1.00 0.00 C
522
+ ATOM 521 C LYS A 64 26.738 -1.966 42.776 1.00 0.00 C
523
+ ATOM 522 CB LYS A 64 27.407 -0.229 41.103 1.00 0.00 C
524
+ ATOM 523 O LYS A 64 26.442 -2.980 42.140 1.00 0.00 O
525
+ ATOM 524 CG LYS A 64 26.334 0.798 41.437 1.00 0.00 C
526
+ ATOM 525 CD LYS A 64 25.992 1.662 40.229 1.00 0.00 C
527
+ ATOM 526 CE LYS A 64 24.932 2.702 40.568 1.00 0.00 C
528
+ ATOM 527 NZ LYS A 64 24.500 3.466 39.360 1.00 0.00 N
529
+ ATOM 528 N LEU A 65 26.158 -1.621 43.862 1.00 0.00 N
530
+ ATOM 529 CA LEU A 65 24.994 -2.351 44.353 1.00 0.00 C
531
+ ATOM 530 C LEU A 65 23.738 -1.951 43.586 1.00 0.00 C
532
+ ATOM 531 CB LEU A 65 24.795 -2.096 45.850 1.00 0.00 C
533
+ ATOM 532 O LEU A 65 23.667 -0.852 43.033 1.00 0.00 O
534
+ ATOM 533 CG LEU A 65 25.874 -2.651 46.781 1.00 0.00 C
535
+ ATOM 534 CD1 LEU A 65 25.701 -2.085 48.187 1.00 0.00 C
536
+ ATOM 535 CD2 LEU A 65 25.831 -4.174 46.804 1.00 0.00 C
537
+ ATOM 536 N ASP A 66 22.745 -2.839 43.523 1.00 0.00 N
538
+ ATOM 537 CA ASP A 66 21.462 -2.507 42.911 1.00 0.00 C
539
+ ATOM 538 C ASP A 66 20.847 -1.270 43.562 1.00 0.00 C
540
+ ATOM 539 CB ASP A 66 20.496 -3.689 43.013 1.00 0.00 C
541
+ ATOM 540 O ASP A 66 20.179 -0.478 42.894 1.00 0.00 O
542
+ ATOM 541 CG ASP A 66 20.910 -4.869 42.150 1.00 0.00 C
543
+ ATOM 542 OD1 ASP A 66 21.646 -4.671 41.160 1.00 0.00 O
544
+ ATOM 543 OD2 ASP A 66 20.493 -6.005 42.462 1.00 0.00 O
545
+ ATOM 544 N SER A 67 21.092 -1.161 44.872 1.00 0.00 N
546
+ ATOM 545 CA SER A 67 20.541 -0.037 45.623 1.00 0.00 C
547
+ ATOM 546 C SER A 67 21.306 1.250 45.334 1.00 0.00 C
548
+ ATOM 547 CB SER A 67 20.571 -0.330 47.124 1.00 0.00 C
549
+ ATOM 548 O SER A 67 20.925 2.324 45.802 1.00 0.00 O
550
+ ATOM 549 OG SER A 67 21.897 -0.571 47.563 1.00 0.00 O
551
+ ATOM 550 N GLY A 68 22.388 1.145 44.505 1.00 0.00 N
552
+ ATOM 551 CA GLY A 68 23.142 2.321 44.102 1.00 0.00 C
553
+ ATOM 552 C GLY A 68 24.452 2.476 44.852 1.00 0.00 C
554
+ ATOM 553 O GLY A 68 25.217 3.407 44.590 1.00 0.00 O
555
+ ATOM 554 N GLY A 69 24.793 1.691 45.837 1.00 0.00 N
556
+ ATOM 555 CA GLY A 69 26.023 1.790 46.606 1.00 0.00 C
557
+ ATOM 556 C GLY A 69 27.230 1.228 45.880 1.00 0.00 C
558
+ ATOM 557 O GLY A 69 27.090 0.369 45.006 1.00 0.00 O
559
+ ATOM 558 N PHE A 70 28.443 1.782 46.224 1.00 0.00 N
560
+ ATOM 559 CA PHE A 70 29.692 1.336 45.615 1.00 0.00 C
561
+ ATOM 560 C PHE A 70 30.574 0.636 46.641 1.00 0.00 C
562
+ ATOM 561 CB PHE A 70 30.442 2.520 44.997 1.00 0.00 C
563
+ ATOM 562 O PHE A 70 30.579 1.005 47.817 1.00 0.00 O
564
+ ATOM 563 CG PHE A 70 29.681 3.215 43.899 1.00 0.00 C
565
+ ATOM 564 CD1 PHE A 70 29.807 2.801 42.578 1.00 0.00 C
566
+ ATOM 565 CD2 PHE A 70 28.841 4.281 44.188 1.00 0.00 C
567
+ ATOM 566 CE1 PHE A 70 29.105 3.442 41.560 1.00 0.00 C
568
+ ATOM 567 CE2 PHE A 70 28.135 4.927 43.177 1.00 0.00 C
569
+ ATOM 568 CZ PHE A 70 28.269 4.506 41.863 1.00 0.00 C
570
+ ATOM 569 N TYR A 71 31.251 -0.323 46.156 1.00 0.00 N
571
+ ATOM 570 CA TYR A 71 32.159 -0.994 47.079 1.00 0.00 C
572
+ ATOM 571 C TYR A 71 33.256 -1.734 46.325 1.00 0.00 C
573
+ ATOM 572 CB TYR A 71 31.390 -1.971 47.975 1.00 0.00 C
574
+ ATOM 573 O TYR A 71 33.086 -2.085 45.154 1.00 0.00 O
575
+ ATOM 574 CG TYR A 71 30.768 -3.122 47.222 1.00 0.00 C
576
+ ATOM 575 CD1 TYR A 71 29.546 -2.973 46.567 1.00 0.00 C
577
+ ATOM 576 CD2 TYR A 71 31.398 -4.360 47.165 1.00 0.00 C
578
+ ATOM 577 CE1 TYR A 71 28.969 -4.031 45.875 1.00 0.00 C
579
+ ATOM 578 CE2 TYR A 71 30.828 -5.426 46.475 1.00 0.00 C
580
+ ATOM 579 OH TYR A 71 29.048 -6.303 45.149 1.00 0.00 O
581
+ ATOM 580 CZ TYR A 71 29.616 -5.252 45.834 1.00 0.00 C
582
+ ATOM 581 N ILE A 72 34.418 -1.823 47.064 1.00 0.00 N
583
+ ATOM 582 CA ILE A 72 35.502 -2.699 46.631 1.00 0.00 C
584
+ ATOM 583 C ILE A 72 35.456 -4.006 47.419 1.00 0.00 C
585
+ ATOM 584 CB ILE A 72 36.880 -2.018 46.801 1.00 0.00 C
586
+ ATOM 585 O ILE A 72 35.551 -5.090 46.840 1.00 0.00 O
587
+ ATOM 586 CG1 ILE A 72 37.020 -0.845 45.825 1.00 0.00 C
588
+ ATOM 587 CG2 ILE A 72 38.010 -3.032 46.605 1.00 0.00 C
589
+ ATOM 588 CD1 ILE A 72 38.262 0.006 46.055 1.00 0.00 C
590
+ ATOM 589 N THR A 73 35.381 -3.888 48.713 1.00 0.00 N
591
+ ATOM 590 CA THR A 73 35.093 -4.989 49.625 1.00 0.00 C
592
+ ATOM 591 C THR A 73 33.675 -4.876 50.179 1.00 0.00 C
593
+ ATOM 592 CB THR A 73 36.100 -5.027 50.790 1.00 0.00 C
594
+ ATOM 593 O THR A 73 33.207 -3.776 50.482 1.00 0.00 O
595
+ ATOM 594 CG2 THR A 73 37.535 -4.968 50.278 1.00 0.00 C
596
+ ATOM 595 OG1 THR A 73 35.865 -3.908 51.653 1.00 0.00 O
597
+ ATOM 596 N SER A 74 32.915 -5.935 50.258 1.00 0.00 N
598
+ ATOM 597 CA SER A 74 31.501 -5.932 50.618 1.00 0.00 C
599
+ ATOM 598 C SER A 74 31.292 -5.393 52.029 1.00 0.00 C
600
+ ATOM 599 CB SER A 74 30.916 -7.341 50.509 1.00 0.00 C
601
+ ATOM 600 O SER A 74 30.176 -5.022 52.398 1.00 0.00 O
602
+ ATOM 601 OG SER A 74 31.647 -8.253 51.310 1.00 0.00 O
603
+ ATOM 602 N ARG A 75 32.226 -5.271 52.838 1.00 0.00 N
604
+ ATOM 603 CA ARG A 75 32.078 -4.871 54.234 1.00 0.00 C
605
+ ATOM 604 C ARG A 75 31.938 -3.358 54.358 1.00 0.00 C
606
+ ATOM 605 CB ARG A 75 33.270 -5.358 55.061 1.00 0.00 C
607
+ ATOM 606 O ARG A 75 31.380 -2.860 55.337 1.00 0.00 O
608
+ ATOM 607 CG ARG A 75 33.348 -6.870 55.200 1.00 0.00 C
609
+ ATOM 608 CD ARG A 75 34.502 -7.296 56.096 1.00 0.00 C
610
+ ATOM 609 NE ARG A 75 34.644 -8.747 56.140 1.00 0.00 N
611
+ ATOM 610 NH1 ARG A 75 36.535 -8.731 57.467 1.00 0.00 N
612
+ ATOM 611 NH2 ARG A 75 35.641 -10.721 56.763 1.00 0.00 N
613
+ ATOM 612 CZ ARG A 75 35.607 -9.397 56.790 1.00 0.00 C
614
+ ATOM 613 N THR A 76 32.347 -2.730 53.396 1.00 0.00 N
615
+ ATOM 614 CA THR A 76 32.308 -1.272 53.442 1.00 0.00 C
616
+ ATOM 615 C THR A 76 31.706 -0.707 52.159 1.00 0.00 C
617
+ ATOM 616 CB THR A 76 33.714 -0.681 53.656 1.00 0.00 C
618
+ ATOM 617 O THR A 76 32.276 -0.863 51.078 1.00 0.00 O
619
+ ATOM 618 CG2 THR A 76 33.644 0.815 53.941 1.00 0.00 C
620
+ ATOM 619 OG1 THR A 76 34.338 -1.340 54.766 1.00 0.00 O
621
+ ATOM 620 N GLN A 77 30.568 -0.086 52.296 1.00 0.00 N
622
+ ATOM 621 CA GLN A 77 29.843 0.435 51.142 1.00 0.00 C
623
+ ATOM 622 C GLN A 77 29.755 1.958 51.189 1.00 0.00 C
624
+ ATOM 623 CB GLN A 77 28.441 -0.170 51.070 1.00 0.00 C
625
+ ATOM 624 O GLN A 77 29.710 2.550 52.269 1.00 0.00 O
626
+ ATOM 625 CG GLN A 77 28.430 -1.690 50.992 1.00 0.00 C
627
+ ATOM 626 CD GLN A 77 27.029 -2.272 51.040 1.00 0.00 C
628
+ ATOM 627 NE2 GLN A 77 26.939 -3.593 51.129 1.00 0.00 N
629
+ ATOM 628 OE1 GLN A 77 26.037 -1.538 50.999 1.00 0.00 O
630
+ ATOM 629 N PHE A 78 29.606 2.495 49.988 1.00 0.00 N
631
+ ATOM 630 CA PHE A 78 29.569 3.949 49.892 1.00 0.00 C
632
+ ATOM 631 C PHE A 78 28.481 4.400 48.926 1.00 0.00 C
633
+ ATOM 632 CB PHE A 78 30.928 4.494 49.443 1.00 0.00 C
634
+ ATOM 633 O PHE A 78 28.184 3.708 47.948 1.00 0.00 O
635
+ ATOM 634 CG PHE A 78 32.079 4.031 50.296 1.00 0.00 C
636
+ ATOM 635 CD1 PHE A 78 32.411 4.707 51.464 1.00 0.00 C
637
+ ATOM 636 CD2 PHE A 78 32.828 2.922 49.929 1.00 0.00 C
638
+ ATOM 637 CE1 PHE A 78 33.476 4.281 52.255 1.00 0.00 C
639
+ ATOM 638 CE2 PHE A 78 33.894 2.491 50.714 1.00 0.00 C
640
+ ATOM 639 CZ PHE A 78 34.217 3.172 51.877 1.00 0.00 C
641
+ ATOM 640 N ASN A 79 27.949 5.592 49.214 1.00 0.00 N
642
+ ATOM 641 CA ASN A 79 26.853 6.106 48.399 1.00 0.00 C
643
+ ATOM 642 C ASN A 79 27.362 6.730 47.103 1.00 0.00 C
644
+ ATOM 643 CB ASN A 79 26.028 7.124 49.189 1.00 0.00 C
645
+ ATOM 644 O ASN A 79 26.584 6.975 46.180 1.00 0.00 O
646
+ ATOM 645 CG ASN A 79 25.267 6.493 50.339 1.00 0.00 C
647
+ ATOM 646 ND2 ASN A 79 25.050 7.262 51.400 1.00 0.00 N
648
+ ATOM 647 OD1 ASN A 79 24.879 5.324 50.275 1.00 0.00 O
649
+ ATOM 648 N SER A 80 28.590 7.021 47.076 1.00 0.00 N
650
+ ATOM 649 CA SER A 80 29.171 7.641 45.890 1.00 0.00 C
651
+ ATOM 650 C SER A 80 30.637 7.253 45.725 1.00 0.00 C
652
+ ATOM 651 CB SER A 80 29.043 9.163 45.964 1.00 0.00 C
653
+ ATOM 652 O SER A 80 31.282 6.824 46.684 1.00 0.00 O
654
+ ATOM 653 OG SER A 80 29.880 9.689 46.980 1.00 0.00 O
655
+ ATOM 654 N LEU A 81 31.137 7.389 44.472 1.00 0.00 N
656
+ ATOM 655 CA LEU A 81 32.551 7.145 44.214 1.00 0.00 C
657
+ ATOM 656 C LEU A 81 33.423 8.121 44.997 1.00 0.00 C
658
+ ATOM 657 CB LEU A 81 32.852 7.262 42.717 1.00 0.00 C
659
+ ATOM 658 O LEU A 81 34.523 7.769 45.429 1.00 0.00 O
660
+ ATOM 659 CG LEU A 81 32.325 6.134 41.829 1.00 0.00 C
661
+ ATOM 660 CD1 LEU A 81 32.625 6.429 40.364 1.00 0.00 C
662
+ ATOM 661 CD2 LEU A 81 32.930 4.798 42.246 1.00 0.00 C
663
+ ATOM 662 N GLN A 82 32.949 9.404 45.192 1.00 0.00 N
664
+ ATOM 663 CA GLN A 82 33.670 10.416 45.960 1.00 0.00 C
665
+ ATOM 664 C GLN A 82 33.884 9.964 47.401 1.00 0.00 C
666
+ ATOM 665 CB GLN A 82 32.917 11.747 45.934 1.00 0.00 C
667
+ ATOM 666 O GLN A 82 34.982 10.102 47.944 1.00 0.00 O
668
+ ATOM 667 CG GLN A 82 32.889 12.411 44.564 1.00 0.00 C
669
+ ATOM 668 CD GLN A 82 31.637 12.076 43.775 1.00 0.00 C
670
+ ATOM 669 NE2 GLN A 82 31.241 12.975 42.880 1.00 0.00 N
671
+ ATOM 670 OE1 GLN A 82 31.031 11.017 43.965 1.00 0.00 O
672
+ ATOM 671 N GLN A 83 32.831 9.390 47.956 1.00 0.00 N
673
+ ATOM 672 CA GLN A 83 32.951 8.911 49.329 1.00 0.00 C
674
+ ATOM 673 C GLN A 83 33.925 7.740 49.422 1.00 0.00 C
675
+ ATOM 674 CB GLN A 83 31.583 8.501 49.877 1.00 0.00 C
676
+ ATOM 675 O GLN A 83 34.680 7.629 50.389 1.00 0.00 O
677
+ ATOM 676 CG GLN A 83 30.664 9.677 50.180 1.00 0.00 C
678
+ ATOM 677 CD GLN A 83 29.326 9.245 50.750 1.00 0.00 C
679
+ ATOM 678 NE2 GLN A 83 28.426 10.203 50.943 1.00 0.00 N
680
+ ATOM 679 OE1 GLN A 83 29.103 8.059 51.015 1.00 0.00 O
681
+ ATOM 680 N LEU A 84 33.848 6.900 48.426 1.00 0.00 N
682
+ ATOM 681 CA LEU A 84 34.754 5.758 48.376 1.00 0.00 C
683
+ ATOM 682 C LEU A 84 36.207 6.217 48.316 1.00 0.00 C
684
+ ATOM 683 CB LEU A 84 34.435 4.873 47.169 1.00 0.00 C
685
+ ATOM 684 O LEU A 84 37.036 5.776 49.114 1.00 0.00 O
686
+ ATOM 685 CG LEU A 84 35.284 3.610 47.010 1.00 0.00 C
687
+ ATOM 686 CD1 LEU A 84 34.451 2.484 46.406 1.00 0.00 C
688
+ ATOM 687 CD2 LEU A 84 36.511 3.894 46.150 1.00 0.00 C
689
+ ATOM 688 N VAL A 85 36.524 7.137 47.427 1.00 0.00 N
690
+ ATOM 689 CA VAL A 85 37.885 7.636 47.257 1.00 0.00 C
691
+ ATOM 690 C VAL A 85 38.326 8.374 48.519 1.00 0.00 C
692
+ ATOM 691 CB VAL A 85 37.999 8.566 46.029 1.00 0.00 C
693
+ ATOM 692 O VAL A 85 39.462 8.216 48.973 1.00 0.00 O
694
+ ATOM 693 CG1 VAL A 85 39.349 9.281 46.017 1.00 0.00 C
695
+ ATOM 694 CG2 VAL A 85 37.799 7.773 44.739 1.00 0.00 C
696
+ ATOM 695 N ALA A 86 37.429 9.175 49.123 1.00 0.00 N
697
+ ATOM 696 CA ALA A 86 37.754 9.898 50.351 1.00 0.00 C
698
+ ATOM 697 C ALA A 86 38.108 8.934 51.478 1.00 0.00 C
699
+ ATOM 698 CB ALA A 86 36.589 10.793 50.765 1.00 0.00 C
700
+ ATOM 699 O ALA A 86 39.067 9.160 52.220 1.00 0.00 O
701
+ ATOM 700 N TYR A 87 37.338 7.892 51.540 1.00 0.00 N
702
+ ATOM 701 CA TYR A 87 37.592 6.895 52.575 1.00 0.00 C
703
+ ATOM 702 C TYR A 87 38.960 6.250 52.386 1.00 0.00 C
704
+ ATOM 703 CB TYR A 87 36.502 5.820 52.564 1.00 0.00 C
705
+ ATOM 704 O TYR A 87 39.747 6.163 53.333 1.00 0.00 O
706
+ ATOM 705 CG TYR A 87 36.718 4.726 53.582 1.00 0.00 C
707
+ ATOM 706 CD1 TYR A 87 36.290 4.880 54.899 1.00 0.00 C
708
+ ATOM 707 CD2 TYR A 87 37.350 3.539 53.231 1.00 0.00 C
709
+ ATOM 708 CE1 TYR A 87 36.488 3.876 55.841 1.00 0.00 C
710
+ ATOM 709 CE2 TYR A 87 37.554 2.529 54.165 1.00 0.00 C
711
+ ATOM 710 OH TYR A 87 37.319 1.709 56.394 1.00 0.00 O
712
+ ATOM 711 CZ TYR A 87 37.119 2.707 55.465 1.00 0.00 C
713
+ ATOM 712 N TYR A 88 39.297 5.807 51.216 1.00 0.00 N
714
+ ATOM 713 CA TYR A 88 40.539 5.078 50.981 1.00 0.00 C
715
+ ATOM 714 C TYR A 88 41.727 6.031 50.924 1.00 0.00 C
716
+ ATOM 715 CB TYR A 88 40.453 4.274 49.681 1.00 0.00 C
717
+ ATOM 716 O TYR A 88 42.879 5.593 50.868 1.00 0.00 O
718
+ ATOM 717 CG TYR A 88 39.702 2.972 49.821 1.00 0.00 C
719
+ ATOM 718 CD1 TYR A 88 40.189 1.949 50.634 1.00 0.00 C
720
+ ATOM 719 CD2 TYR A 88 38.507 2.759 49.142 1.00 0.00 C
721
+ ATOM 720 CE1 TYR A 88 39.502 0.747 50.765 1.00 0.00 C
722
+ ATOM 721 CE2 TYR A 88 37.812 1.561 49.265 1.00 0.00 C
723
+ ATOM 722 OH TYR A 88 37.633 -0.627 50.204 1.00 0.00 O
724
+ ATOM 723 CZ TYR A 88 38.316 0.562 50.079 1.00 0.00 C
725
+ ATOM 724 N SER A 89 41.446 7.332 50.875 1.00 0.00 N
726
+ ATOM 725 CA SER A 89 42.499 8.328 51.043 1.00 0.00 C
727
+ ATOM 726 C SER A 89 42.953 8.414 52.496 1.00 0.00 C
728
+ ATOM 727 CB SER A 89 42.020 9.701 50.569 1.00 0.00 C
729
+ ATOM 728 O SER A 89 44.067 8.861 52.779 1.00 0.00 O
730
+ ATOM 729 OG SER A 89 41.804 9.702 49.168 1.00 0.00 O
731
+ ATOM 730 N LYS A 90 42.132 7.855 53.394 1.00 0.00 N
732
+ ATOM 731 CA LYS A 90 42.435 7.899 54.822 1.00 0.00 C
733
+ ATOM 732 C LYS A 90 42.780 6.512 55.355 1.00 0.00 C
734
+ ATOM 733 CB LYS A 90 41.257 8.482 55.604 1.00 0.00 C
735
+ ATOM 734 O LYS A 90 43.503 6.384 56.346 1.00 0.00 O
736
+ ATOM 735 CG LYS A 90 40.963 9.941 55.283 1.00 0.00 C
737
+ ATOM 736 CD LYS A 90 39.792 10.468 56.102 1.00 0.00 C
738
+ ATOM 737 CE LYS A 90 39.440 11.899 55.721 1.00 0.00 C
739
+ ATOM 738 NZ LYS A 90 38.261 12.404 56.487 1.00 0.00 N
740
+ ATOM 739 N HIS A 91 42.227 5.478 54.634 1.00 0.00 N
741
+ ATOM 740 CA HIS A 91 42.383 4.095 55.072 1.00 0.00 C
742
+ ATOM 741 C HIS A 91 42.797 3.193 53.913 1.00 0.00 C
743
+ ATOM 742 CB HIS A 91 41.083 3.582 55.697 1.00 0.00 C
744
+ ATOM 743 O HIS A 91 42.216 3.263 52.828 1.00 0.00 O
745
+ ATOM 744 CG HIS A 91 40.509 4.504 56.726 1.00 0.00 C
746
+ ATOM 745 CD2 HIS A 91 40.714 4.582 58.061 1.00 0.00 C
747
+ ATOM 746 ND1 HIS A 91 39.600 5.492 56.415 1.00 0.00 N
748
+ ATOM 747 CE1 HIS A 91 39.270 6.141 57.519 1.00 0.00 C
749
+ ATOM 748 NE2 HIS A 91 39.932 5.609 58.532 1.00 0.00 N
750
+ ATOM 749 N ALA A 92 43.779 2.363 54.084 1.00 0.00 N
751
+ ATOM 750 CA ALA A 92 44.121 1.422 53.019 1.00 0.00 C
752
+ ATOM 751 C ALA A 92 43.129 0.263 52.972 1.00 0.00 C
753
+ ATOM 752 CB ALA A 92 45.541 0.896 53.211 1.00 0.00 C
754
+ ATOM 753 O ALA A 92 42.644 -0.104 51.899 1.00 0.00 O
755
+ ATOM 754 N ASP A 93 42.584 -0.224 53.983 1.00 0.00 N
756
+ ATOM 755 CA ASP A 93 41.553 -1.220 54.260 1.00 0.00 C
757
+ ATOM 756 C ASP A 93 41.504 -2.278 53.161 1.00 0.00 C
758
+ ATOM 757 CB ASP A 93 40.186 -0.549 54.405 1.00 0.00 C
759
+ ATOM 758 O ASP A 93 40.448 -2.523 52.574 1.00 0.00 O
760
+ ATOM 759 CG ASP A 93 39.948 0.018 55.794 1.00 0.00 C
761
+ ATOM 760 OD1 ASP A 93 40.819 -0.143 56.675 1.00 0.00 O
762
+ ATOM 761 OD2 ASP A 93 38.879 0.629 56.008 1.00 0.00 O
763
+ ATOM 762 N GLY A 94 42.498 -3.005 52.865 1.00 0.00 N
764
+ ATOM 763 CA GLY A 94 42.557 -4.070 51.878 1.00 0.00 C
765
+ ATOM 764 C GLY A 94 43.265 -3.661 50.600 1.00 0.00 C
766
+ ATOM 765 O GLY A 94 43.548 -4.503 49.744 1.00 0.00 O
767
+ ATOM 766 N LEU A 95 43.471 -2.408 50.413 1.00 0.00 N
768
+ ATOM 767 CA LEU A 95 44.237 -1.924 49.270 1.00 0.00 C
769
+ ATOM 768 C LEU A 95 45.735 -2.068 49.519 1.00 0.00 C
770
+ ATOM 769 CB LEU A 95 43.895 -0.460 48.977 1.00 0.00 C
771
+ ATOM 770 O LEU A 95 46.167 -2.200 50.667 1.00 0.00 O
772
+ ATOM 771 CG LEU A 95 42.426 -0.153 48.684 1.00 0.00 C
773
+ ATOM 772 CD1 LEU A 95 42.271 1.285 48.201 1.00 0.00 C
774
+ ATOM 773 CD2 LEU A 95 41.870 -1.131 47.655 1.00 0.00 C
775
+ ATOM 774 N CYS A 96 46.483 -2.040 48.500 1.00 0.00 N
776
+ ATOM 775 CA CYS A 96 47.936 -2.125 48.593 1.00 0.00 C
777
+ ATOM 776 C CYS A 96 48.504 -0.926 49.344 1.00 0.00 C
778
+ ATOM 777 CB CYS A 96 48.559 -2.207 47.200 1.00 0.00 C
779
+ ATOM 778 O CYS A 96 49.562 -1.024 49.969 1.00 0.00 O
780
+ ATOM 779 SG CYS A 96 48.169 -0.795 46.143 1.00 0.00 S
781
+ ATOM 780 N HIS A 97 47.863 0.159 49.220 1.00 0.00 N
782
+ ATOM 781 CA HIS A 97 48.237 1.418 49.855 1.00 0.00 C
783
+ ATOM 782 C HIS A 97 47.053 2.377 49.915 1.00 0.00 C
784
+ ATOM 783 CB HIS A 97 49.404 2.069 49.111 1.00 0.00 C
785
+ ATOM 784 O HIS A 97 46.117 2.265 49.120 1.00 0.00 O
786
+ ATOM 785 CG HIS A 97 50.123 3.107 49.913 1.00 0.00 C
787
+ ATOM 786 CD2 HIS A 97 51.318 3.068 50.548 1.00 0.00 C
788
+ ATOM 787 ND1 HIS A 97 49.608 4.365 50.134 1.00 0.00 N
789
+ ATOM 788 CE1 HIS A 97 50.458 5.060 50.872 1.00 0.00 C
790
+ ATOM 789 NE2 HIS A 97 51.503 4.295 51.138 1.00 0.00 N
791
+ ATOM 790 N ARG A 98 47.121 3.230 50.830 1.00 0.00 N
792
+ ATOM 791 CA ARG A 98 46.128 4.299 50.812 1.00 0.00 C
793
+ ATOM 792 C ARG A 98 46.295 5.181 49.579 1.00 0.00 C
794
+ ATOM 793 CB ARG A 98 46.227 5.147 52.081 1.00 0.00 C
795
+ ATOM 794 O ARG A 98 47.395 5.291 49.032 1.00 0.00 O
796
+ ATOM 795 CG ARG A 98 47.553 5.875 52.233 1.00 0.00 C
797
+ ATOM 796 CD ARG A 98 47.617 6.665 53.533 1.00 0.00 C
798
+ ATOM 797 NE ARG A 98 48.943 7.237 53.751 1.00 0.00 N
799
+ ATOM 798 NH1 ARG A 98 48.405 9.325 52.925 1.00 0.00 N
800
+ ATOM 799 NH2 ARG A 98 50.522 8.904 53.698 1.00 0.00 N
801
+ ATOM 800 CZ ARG A 98 49.287 8.488 53.458 1.00 0.00 C
802
+ ATOM 801 N LEU A 99 45.156 5.860 49.126 1.00 0.00 N
803
+ ATOM 802 CA LEU A 99 45.191 6.765 47.981 1.00 0.00 C
804
+ ATOM 803 C LEU A 99 45.825 8.098 48.362 1.00 0.00 C
805
+ ATOM 804 CB LEU A 99 43.779 6.995 47.436 1.00 0.00 C
806
+ ATOM 805 O LEU A 99 45.272 8.845 49.173 1.00 0.00 O
807
+ ATOM 806 CG LEU A 99 42.932 5.744 47.196 1.00 0.00 C
808
+ ATOM 807 CD1 LEU A 99 41.538 6.131 46.714 1.00 0.00 C
809
+ ATOM 808 CD2 LEU A 99 43.614 4.822 46.191 1.00 0.00 C
810
+ ATOM 809 N THR A 100 46.953 8.502 47.785 1.00 0.00 N
811
+ ATOM 810 CA THR A 100 47.717 9.648 48.264 1.00 0.00 C
812
+ ATOM 811 C THR A 100 47.683 10.785 47.247 1.00 0.00 C
813
+ ATOM 812 CB THR A 100 49.179 9.261 48.555 1.00 0.00 C
814
+ ATOM 813 O THR A 100 47.550 11.953 47.619 1.00 0.00 O
815
+ ATOM 814 CG2 THR A 100 49.266 8.272 49.714 1.00 0.00 C
816
+ ATOM 815 OG1 THR A 100 49.751 8.661 47.386 1.00 0.00 O
817
+ ATOM 816 N THR A 101 47.834 10.445 45.995 1.00 0.00 N
818
+ ATOM 817 CA THR A 101 47.953 11.450 44.944 1.00 0.00 C
819
+ ATOM 818 C THR A 101 47.126 11.057 43.724 1.00 0.00 C
820
+ ATOM 819 CB THR A 101 49.422 11.653 44.530 1.00 0.00 C
821
+ ATOM 820 O THR A 101 47.170 9.907 43.282 1.00 0.00 O
822
+ ATOM 821 CG2 THR A 101 49.561 12.807 43.542 1.00 0.00 C
823
+ ATOM 822 OG1 THR A 101 50.206 11.939 45.695 1.00 0.00 O
824
+ ATOM 823 N VAL A 102 46.437 12.020 43.216 1.00 0.00 N
825
+ ATOM 824 CA VAL A 102 45.717 11.802 41.966 1.00 0.00 C
826
+ ATOM 825 C VAL A 102 46.707 11.714 40.807 1.00 0.00 C
827
+ ATOM 826 CB VAL A 102 44.686 12.922 41.702 1.00 0.00 C
828
+ ATOM 827 O VAL A 102 47.663 12.492 40.738 1.00 0.00 O
829
+ ATOM 828 CG1 VAL A 102 44.031 12.742 40.333 1.00 0.00 C
830
+ ATOM 829 CG2 VAL A 102 43.629 12.945 42.804 1.00 0.00 C
831
+ ATOM 830 N CYS A 103 46.533 10.699 40.034 1.00 0.00 N
832
+ ATOM 831 CA CYS A 103 47.383 10.547 38.859 1.00 0.00 C
833
+ ATOM 832 C CYS A 103 47.364 11.810 38.005 1.00 0.00 C
834
+ ATOM 833 CB CYS A 103 46.933 9.348 38.023 1.00 0.00 C
835
+ ATOM 834 O CYS A 103 46.297 12.361 37.728 1.00 0.00 O
836
+ ATOM 835 SG CYS A 103 48.056 8.945 36.668 1.00 0.00 S
837
+ ATOM 836 N PRO A 104 48.514 12.410 37.574 1.00 0.00 N
838
+ ATOM 837 CA PRO A 104 48.535 13.636 36.772 1.00 0.00 C
839
+ ATOM 838 C PRO A 104 48.002 13.423 35.357 1.00 0.00 C
840
+ ATOM 839 CB PRO A 104 50.018 14.014 36.745 1.00 0.00 C
841
+ ATOM 840 O PRO A 104 48.090 12.316 34.820 1.00 0.00 O
842
+ ATOM 841 CG PRO A 104 50.739 12.764 37.134 1.00 0.00 C
843
+ ATOM 842 CD PRO A 104 49.765 11.840 37.806 1.00 0.00 C
844
+ ATOM 843 OXT PRO A 104 47.692 14.594 35.368 1.00 0.00 O
845
+ TER 844 PRO A 104
846
+ END
1a1e/1a1e_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1b3g/1b3g_ligand.mol2 ADDED
@@ -0,0 +1,147 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1b3g_ligand
7
+ 66 65 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
12
+ @<TRIPOS>ATOM
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14
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16
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17
+ 5 CB 6.3510 17.9640 13.1910 C.3 1 LYS 0.0080
18
+ 6 CG 5.3090 16.9790 12.6980 C.3 1 LYS -0.0410
19
+ 7 CD 5.2500 16.7760 11.1990 C.3 1 LYS -0.0123
20
+ 8 CE 6.5560 16.1890 10.6030 C.3 1 LYS -0.0354
21
+ 9 NZ 6.6030 14.7040 10.9230 N.4 1 LYS 0.2185
22
+ 10 N 5.1170 19.8870 15.4630 N.am 1 ILE -0.2608
23
+ 11 CA 3.9870 20.5050 16.1490 C.3 1 ILE 0.1336
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+ 13 O 2.6660 20.9040 14.1510 O.2 1 ILE -0.3944
26
+ 14 CB 4.2470 21.9150 16.6540 C.3 1 ILE -0.0037
27
+ 15 CG1 5.4060 21.8220 17.6980 C.3 1 ILE -0.0491
28
+ 16 CG2 3.0410 22.5230 17.4160 C.3 1 ILE -0.0582
29
+ 17 CD1 5.9390 23.2060 18.0320 C.3 1 ILE -0.0648
30
+ 18 N 1.6200 20.0180 15.9740 N.am 1 LYS -0.2695
31
+ 19 CA 0.3140 19.9840 15.3770 C.3 1 LYS 0.0944
32
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33
+ 21 O -1.5740 21.3820 15.6570 O.co2 1 LYS -0.5666
34
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35
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36
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37
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38
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39
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40
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43
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44
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45
+ 33 H6 6.0544 18.9597 12.8295 H 1 LYS 0.0346
46
+ 34 H7 4.3230 17.3372 13.0289 H 1 LYS 0.0270
47
+ 35 H8 5.5198 16.0043 13.1623 H 1 LYS 0.0270
48
+ 36 H9 5.0564 17.7487 10.7231 H 1 LYS 0.0317
49
+ 37 H10 4.4234 16.0863 10.9732 H 1 LYS 0.0317
50
+ 38 H11 7.4268 16.6928 11.0478 H 1 LYS 0.0813
51
+ 39 H12 6.5654 16.3347 9.5127 H 1 LYS 0.0813
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+ 40 H13 7.4468 14.3049 10.5426 H 1 LYS 0.1994
53
+ 41 H14 5.8020 14.2470 10.5160 H 1 LYS 0.1994
54
+ 42 H15 6.5914 14.5751 11.9227 H 1 LYS 0.1994
55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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66
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67
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68
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69
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70
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71
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+ 60 H33 -2.8759 17.3221 15.0476 H 1 LYS 0.0317
73
+ 61 H34 -1.5004 16.5120 14.2240 H 1 LYS 0.0317
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75
+ 63 H36 -2.3663 17.0385 12.0219 H 1 LYS 0.0813
76
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77
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78
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+ 1 LYS 1
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+
1b3g/1b3g_ligand.sdf ADDED
@@ -0,0 +1,139 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ 21 38 1 0 0 0
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+ 21 39 1 0 0 0
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+ 21 40 1 0 0 0
85
+ M END
86
+ $$$$
1e34/1e34_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1e34/1e34_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hc9/1hc9_ligand.mol2 ADDED
@@ -0,0 +1,480 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1hc9_ligand
7
+ 229 235 1 0 0
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+ SMALL
9
+ GAST_HUCK
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+
11
+
12
+ @<TRIPOS>ATOM
13
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14
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15
+ 3 C 2.1670 46.1500 5.5030 C.2 1 TRP 0.2280
16
+ 4 O 2.5400 45.1440 6.1060 O.2 1 TRP -0.3906
17
+ 5 CB 0.3170 47.6960 6.1660 C.3 1 TRP 0.0245
18
+ 6 CG 0.1950 47.4050 7.6370 C.2 1 TRP -0.0386
19
+ 7 CD1 1.1940 47.0230 8.4890 C.2 1 TRP 0.0168
20
+ 8 CD2 -1.0070 47.4410 8.4170 C.ar 1 TRP -0.0213
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+ 9 NE1 0.6840 46.8160 9.7540 N.pl3 1 TRP -0.2890
22
+ 10 CE2 -0.6640 47.0650 9.7350 C.ar 1 TRP 0.0603
23
+ 11 CE3 -2.3430 47.7550 8.1290 C.ar 1 TRP -0.0747
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+ 12 CZ2 -1.6080 46.9920 10.7640 C.ar 1 TRP -0.0443
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+ 13 CZ3 -3.2840 47.6840 9.1540 C.ar 1 TRP -0.0792
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+ 14 CH2 -2.9090 47.3040 10.4550 C.ar 1 TRP -0.0768
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+ 15 N 3.0060 47.0250 4.9720 N.am 1 ARG -0.2609
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+ 16 CA 4.4440 46.8420 5.0530 C.3 1 ARG 0.1312
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+ 18 O 4.7150 49.2010 4.7580 O.2 1 ARG -0.3944
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35
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36
+ 24 NH1 8.1040 43.4490 0.8080 N.pl3 1 ARG -0.2849
37
+ 25 NH2 7.1020 41.8470 2.1160 N.pl3 1 ARG -0.2849
38
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39
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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98
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99
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100
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101
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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145
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146
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147
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148
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149
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151
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152
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153
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155
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156
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157
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158
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159
+ 147 H26 6.3473 47.3241 6.6682 H 1 TYR 0.1885
160
+ 148 H27 6.2003 50.2587 6.2056 H 1 TYR 0.0821
161
+ 149 H28 7.7713 50.3300 8.2195 H 1 TYR 0.0453
162
+ 150 H29 7.4594 48.5711 8.4084 H 1 TYR 0.0453
163
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164
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165
+ 153 H32 3.2741 48.2950 10.5754 H 1 TYR 0.0525
166
+ 154 H33 4.0466 52.4836 10.0570 H 1 TYR 0.0525
167
+ 155 H34 2.0173 49.9494 11.4497 H 1 TYR 0.2458
168
+ 156 H35 8.0129 51.4486 5.7194 H 1 TYR 0.1885
169
+ 157 H36 10.4754 49.9485 4.9013 H 1 TYR 0.0821
170
+ 158 H37 10.7578 51.7145 3.1261 H 1 TYR 0.0453
171
+ 159 H38 9.0965 52.2880 3.4975 H 1 TYR 0.0453
172
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173
+ 161 H40 11.1144 49.7050 1.8417 H 1 TYR 0.0530
174
+ 162 H41 6.2203 49.0823 1.4834 H 1 TYR 0.0525
175
+ 163 H42 10.1999 47.9674 0.3413 H 1 TYR 0.0525
176
+ 164 H43 7.9673 46.5868 0.2763 H 1 TYR 0.2458
177
+ 165 H44 12.4232 51.2707 5.2047 H 1 GLU 0.1883
178
+ 166 H45 12.3445 52.6509 7.6839 H 1 GLU 0.0801
179
+ 167 H46 14.3270 51.4698 6.8115 H 1 GLU 0.0330
180
+ 168 H47 14.6864 53.1575 7.3106 H 1 GLU 0.0330
181
+ 169 H48 14.7258 53.8669 4.9814 H 1 GLU 0.0433
182
+ 170 H49 14.2806 52.2104 4.4480 H 1 GLU 0.0433
183
+ 171 H50 11.6341 53.8216 4.5290 H 1 SER 0.1884
184
+ 172 H51 12.4748 56.5403 5.0408 H 1 SER 0.0823
185
+ 173 H52 12.4324 55.7398 2.7639 H 1 SER 0.0606
186
+ 174 H53 11.2233 57.0579 2.9301 H 1 SER 0.0606
187
+ 175 H54 9.6242 55.4016 3.1126 H 1 SER 0.2097
188
+ 176 H55 9.6464 54.8458 6.0647 H 1 SER 0.1884
189
+ 177 H56 8.6320 57.4173 7.0282 H 1 SER 0.0823
190
+ 178 H57 6.9805 55.7029 5.1106 H 1 SER 0.0606
191
+ 179 H58 7.6174 57.3555 4.8109 H 1 SER 0.0606
192
+ 180 H59 6.2926 58.0526 6.5714 H 1 SER 0.2097
193
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194
+ 182 H61 7.1122 54.8883 10.2253 H 1 LEU 0.0800
195
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196
+ 184 H63 6.1200 57.7278 10.6730 H 1 LEU 0.0315
197
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198
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199
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200
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201
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202
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203
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204
+ 192 H71 5.3217 56.2833 7.7390 H 1 LEU 0.1883
205
+ 193 H72 2.7225 55.1420 8.6078 H 1 LEU 0.0800
206
+ 194 H73 1.8671 56.1368 6.5197 H 1 LEU 0.0315
207
+ 195 H74 3.5329 56.6387 6.0727 H 1 LEU 0.0315
208
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209
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210
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211
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213
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214
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215
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216
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217
+ 205 H84 1.5904 50.0355 6.6546 H 1 PRO 0.0313
218
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219
+ 207 H86 0.1890 51.9703 7.0093 H 1 PRO 0.0287
220
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221
+ 209 H88 2.1480 52.8617 9.1935 H 1 PRO 0.0524
222
+ 210 H89 3.5473 50.4140 4.4273 H 1 TYR 0.1885
223
+ 211 H90 1.8731 51.8881 2.4478 H 1 TYR 0.0821
224
+ 212 H91 3.2448 50.4210 0.8159 H 1 TYR 0.0453
225
+ 213 H92 4.2865 50.0487 2.2312 H 1 TYR 0.0453
226
+ 214 H93 5.3010 52.1076 3.4771 H 1 TYR 0.0530
227
+ 215 H94 3.7020 52.2863 -0.4854 H 1 TYR 0.0530
228
+ 216 H95 6.6247 54.1493 3.0351 H 1 TYR 0.0525
229
+ 217 H96 5.0205 54.3211 -0.9334 H 1 TYR 0.0525
230
+ 218 H97 7.1434 55.7177 1.5290 H 1 TYR 0.2458
231
+ 219 H98 -0.9957 48.5675 2.0672 H 1 PRO 0.0802
232
+ 220 H99 -1.9772 48.6592 -0.0999 H 1 PRO 0.0313
233
+ 221 H100 -0.3845 48.7537 -0.9250 H 1 PRO 0.0313
234
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235
+ 223 H102 -1.1848 51.0358 -0.9063 H 1 PRO 0.0287
236
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237
+ 225 H104 0.4400 51.8526 1.0668 H 1 PRO 0.0524
238
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239
+ 227 H106 -0.5363 44.2169 0.6094 H 1 ASP 0.0745
240
+ 228 H107 1.7729 43.7987 -0.1406 H 1 ASP 0.0471
241
+ 229 H108 2.2359 45.4730 0.3167 H 1 ASP 0.0471
242
+ @<TRIPOS>BOND
243
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+ M END
472
+ $$$$
1hc9/1hc9_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,566 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ILE A 1 8.559 41.875 28.677 1.00 0.00 N
3
+ ATOM 2 CA ILE A 1 9.323 42.865 27.926 1.00 0.00 C
4
+ ATOM 3 C ILE A 1 8.403 43.594 26.949 1.00 0.00 C
5
+ ATOM 4 CB ILE A 1 10.501 42.213 27.168 1.00 0.00 C
6
+ ATOM 5 O ILE A 1 7.365 43.061 26.548 1.00 0.00 O
7
+ ATOM 6 CG1 ILE A 1 11.505 43.282 26.723 1.00 0.00 C
8
+ ATOM 7 CG2 ILE A 1 9.992 41.406 25.970 1.00 0.00 C
9
+ ATOM 8 CD1 ILE A 1 12.834 42.718 26.237 1.00 0.00 C
10
+ ATOM 9 N VAL A 2 8.657 44.817 26.654 1.00 0.00 N
11
+ ATOM 10 CA VAL A 2 7.912 45.652 25.716 1.00 0.00 C
12
+ ATOM 11 C VAL A 2 8.748 45.892 24.461 1.00 0.00 C
13
+ ATOM 12 CB VAL A 2 7.507 46.999 26.353 1.00 0.00 C
14
+ ATOM 13 O VAL A 2 9.904 46.313 24.550 1.00 0.00 O
15
+ ATOM 14 CG1 VAL A 2 6.730 47.856 25.356 1.00 0.00 C
16
+ ATOM 15 CG2 VAL A 2 6.682 46.764 27.616 1.00 0.00 C
17
+ ATOM 16 N CYS A 3 8.142 45.609 23.276 1.00 0.00 N
18
+ ATOM 17 CA CYS A 3 8.843 45.770 22.006 1.00 0.00 C
19
+ ATOM 18 C CYS A 3 8.043 46.646 21.049 1.00 0.00 C
20
+ ATOM 19 CB CYS A 3 9.109 44.409 21.363 1.00 0.00 C
21
+ ATOM 20 O CYS A 3 6.814 46.700 21.129 1.00 0.00 O
22
+ ATOM 21 SG CYS A 3 10.072 43.290 22.403 1.00 0.00 S
23
+ ATOM 22 N HIS A 4 8.760 47.313 20.145 1.00 0.00 N
24
+ ATOM 23 CA HIS A 4 8.073 47.903 19.002 1.00 0.00 C
25
+ ATOM 24 C HIS A 4 7.622 46.830 18.016 1.00 0.00 C
26
+ ATOM 25 CB HIS A 4 8.978 48.915 18.298 1.00 0.00 C
27
+ ATOM 26 O HIS A 4 8.295 45.810 17.851 1.00 0.00 O
28
+ ATOM 27 CG HIS A 4 9.249 50.143 19.107 1.00 0.00 C
29
+ ATOM 28 CD2 HIS A 4 10.356 50.544 19.774 1.00 0.00 C
30
+ ATOM 29 ND1 HIS A 4 8.304 51.129 19.302 1.00 0.00 N
31
+ ATOM 30 CE1 HIS A 4 8.822 52.085 20.055 1.00 0.00 C
32
+ ATOM 31 NE2 HIS A 4 10.067 51.753 20.355 1.00 0.00 N
33
+ ATOM 32 N THR A 5 6.519 47.102 17.362 1.00 0.00 N
34
+ ATOM 33 CA THR A 5 6.000 46.110 16.426 1.00 0.00 C
35
+ ATOM 34 C THR A 5 5.397 46.787 15.200 1.00 0.00 C
36
+ ATOM 35 CB THR A 5 4.941 45.213 17.094 1.00 0.00 C
37
+ ATOM 36 O THR A 5 4.888 47.907 15.289 1.00 0.00 O
38
+ ATOM 37 CG2 THR A 5 3.797 46.044 17.664 1.00 0.00 C
39
+ ATOM 38 OG1 THR A 5 4.416 44.299 16.122 1.00 0.00 O
40
+ ATOM 39 N THR A 6 5.477 46.146 14.090 1.00 0.00 N
41
+ ATOM 40 CA THR A 6 4.827 46.545 12.845 1.00 0.00 C
42
+ ATOM 41 C THR A 6 3.549 45.742 12.621 1.00 0.00 C
43
+ ATOM 42 CB THR A 6 5.769 46.362 11.640 1.00 0.00 C
44
+ ATOM 43 O THR A 6 2.917 45.852 11.568 1.00 0.00 O
45
+ ATOM 44 CG2 THR A 6 6.947 47.329 11.712 1.00 0.00 C
46
+ ATOM 45 OG1 THR A 6 6.268 45.018 11.630 1.00 0.00 O
47
+ ATOM 46 N ALA A 7 3.192 44.868 13.574 1.00 0.00 N
48
+ ATOM 47 CA ALA A 7 1.978 44.073 13.411 1.00 0.00 C
49
+ ATOM 48 C ALA A 7 0.732 44.951 13.492 1.00 0.00 C
50
+ ATOM 49 CB ALA A 7 1.918 42.971 14.467 1.00 0.00 C
51
+ ATOM 50 O ALA A 7 -0.345 44.554 13.040 1.00 0.00 O
52
+ ATOM 51 N THR A 8 0.981 46.069 14.088 1.00 0.00 N
53
+ ATOM 52 CA THR A 8 -0.081 47.063 14.187 1.00 0.00 C
54
+ ATOM 53 C THR A 8 0.302 48.341 13.447 1.00 0.00 C
55
+ ATOM 54 CB THR A 8 -0.402 47.394 15.656 1.00 0.00 C
56
+ ATOM 55 O THR A 8 1.476 48.555 13.135 1.00 0.00 O
57
+ ATOM 56 CG2 THR A 8 -0.783 46.137 16.432 1.00 0.00 C
58
+ ATOM 57 OG1 THR A 8 0.749 47.989 16.268 1.00 0.00 O
59
+ ATOM 58 N SER A 9 -0.615 49.043 12.956 1.00 0.00 N
60
+ ATOM 59 CA SER A 9 -0.453 50.379 12.392 1.00 0.00 C
61
+ ATOM 60 C SER A 9 -1.249 51.413 13.181 1.00 0.00 C
62
+ ATOM 61 CB SER A 9 -0.889 50.399 10.926 1.00 0.00 C
63
+ ATOM 62 O SER A 9 -2.434 51.215 13.454 1.00 0.00 O
64
+ ATOM 63 OG SER A 9 -0.701 51.685 10.361 1.00 0.00 O
65
+ ATOM 64 N PRO A 10 -0.495 52.323 13.511 1.00 0.00 N
66
+ ATOM 65 CA PRO A 10 0.917 52.666 13.328 1.00 0.00 C
67
+ ATOM 66 C PRO A 10 1.848 51.811 14.186 1.00 0.00 C
68
+ ATOM 67 CB PRO A 10 0.981 54.135 13.751 1.00 0.00 C
69
+ ATOM 68 O PRO A 10 1.381 51.010 15.000 1.00 0.00 O
70
+ ATOM 69 CG PRO A 10 -0.041 54.266 14.834 1.00 0.00 C
71
+ ATOM 70 CD PRO A 10 -1.180 53.335 14.530 1.00 0.00 C
72
+ ATOM 71 N ILE A 11 3.189 51.831 13.873 1.00 0.00 N
73
+ ATOM 72 CA ILE A 11 4.155 51.159 14.735 1.00 0.00 C
74
+ ATOM 73 C ILE A 11 3.850 51.473 16.196 1.00 0.00 C
75
+ ATOM 74 CB ILE A 11 5.603 51.572 14.389 1.00 0.00 C
76
+ ATOM 75 O ILE A 11 3.646 52.635 16.560 1.00 0.00 O
77
+ ATOM 76 CG1 ILE A 11 5.968 51.110 12.973 1.00 0.00 C
78
+ ATOM 77 CG2 ILE A 11 6.586 51.008 15.419 1.00 0.00 C
79
+ ATOM 78 CD1 ILE A 11 7.224 51.762 12.413 1.00 0.00 C
80
+ ATOM 79 N SER A 12 3.782 50.525 16.989 1.00 0.00 N
81
+ ATOM 80 CA SER A 12 3.411 50.684 18.391 1.00 0.00 C
82
+ ATOM 81 C SER A 12 4.269 49.803 19.293 1.00 0.00 C
83
+ ATOM 82 CB SER A 12 1.933 50.352 18.596 1.00 0.00 C
84
+ ATOM 83 O SER A 12 4.924 48.871 18.820 1.00 0.00 O
85
+ ATOM 84 OG SER A 12 1.660 49.014 18.216 1.00 0.00 O
86
+ ATOM 85 N ALA A 13 4.307 50.210 20.490 1.00 0.00 N
87
+ ATOM 86 CA ALA A 13 4.961 49.383 21.501 1.00 0.00 C
88
+ ATOM 87 C ALA A 13 3.970 48.417 22.144 1.00 0.00 C
89
+ ATOM 88 CB ALA A 13 5.611 50.261 22.568 1.00 0.00 C
90
+ ATOM 89 O ALA A 13 2.868 48.813 22.530 1.00 0.00 O
91
+ ATOM 90 N VAL A 14 4.301 47.237 22.251 1.00 0.00 N
92
+ ATOM 91 CA VAL A 14 3.395 46.238 22.809 1.00 0.00 C
93
+ ATOM 92 C VAL A 14 4.129 45.401 23.853 1.00 0.00 C
94
+ ATOM 93 CB VAL A 14 2.811 45.325 21.708 1.00 0.00 C
95
+ ATOM 94 O VAL A 14 5.330 45.151 23.726 1.00 0.00 O
96
+ ATOM 95 CG1 VAL A 14 1.986 46.138 20.712 1.00 0.00 C
97
+ ATOM 96 CG2 VAL A 14 3.929 44.571 20.991 1.00 0.00 C
98
+ ATOM 97 N THR A 15 3.385 44.964 24.920 1.00 0.00 N
99
+ ATOM 98 CA THR A 15 3.915 43.974 25.851 1.00 0.00 C
100
+ ATOM 99 C THR A 15 3.980 42.597 25.197 1.00 0.00 C
101
+ ATOM 100 CB THR A 15 3.063 43.898 27.131 1.00 0.00 C
102
+ ATOM 101 O THR A 15 2.970 42.091 24.703 1.00 0.00 O
103
+ ATOM 102 CG2 THR A 15 3.637 42.883 28.114 1.00 0.00 C
104
+ ATOM 103 OG1 THR A 15 3.035 45.187 27.756 1.00 0.00 O
105
+ ATOM 104 N CYS A 16 5.110 42.024 25.143 1.00 0.00 N
106
+ ATOM 105 CA CYS A 16 5.319 40.739 24.485 1.00 0.00 C
107
+ ATOM 106 C CYS A 16 4.533 39.635 25.182 1.00 0.00 C
108
+ ATOM 107 CB CYS A 16 6.804 40.384 24.460 1.00 0.00 C
109
+ ATOM 108 O CYS A 16 4.418 39.629 26.409 1.00 0.00 O
110
+ ATOM 109 SG CYS A 16 7.811 41.526 23.489 1.00 0.00 S
111
+ ATOM 110 N PRO A 17 3.937 38.730 24.462 1.00 0.00 N
112
+ ATOM 111 CA PRO A 17 3.291 37.565 25.075 1.00 0.00 C
113
+ ATOM 112 C PRO A 17 4.252 36.737 25.925 1.00 0.00 C
114
+ ATOM 113 CB PRO A 17 2.796 36.761 23.870 1.00 0.00 C
115
+ ATOM 114 O PRO A 17 5.468 36.799 25.726 1.00 0.00 O
116
+ ATOM 115 CG PRO A 17 2.790 37.737 22.737 1.00 0.00 C
117
+ ATOM 116 CD PRO A 17 3.850 38.770 22.989 1.00 0.00 C
118
+ ATOM 117 N PRO A 18 3.649 35.955 26.800 1.00 0.00 N
119
+ ATOM 118 CA PRO A 18 4.501 35.105 27.635 1.00 0.00 C
120
+ ATOM 119 C PRO A 18 5.406 34.189 26.813 1.00 0.00 C
121
+ ATOM 120 CB PRO A 18 3.496 34.289 28.451 1.00 0.00 C
122
+ ATOM 121 O PRO A 18 4.966 33.617 25.812 1.00 0.00 O
123
+ ATOM 122 CG PRO A 18 2.246 35.108 28.446 1.00 0.00 C
124
+ ATOM 123 CD PRO A 18 2.207 35.911 27.177 1.00 0.00 C
125
+ ATOM 124 N GLY A 19 6.673 34.121 27.145 1.00 0.00 N
126
+ ATOM 125 CA GLY A 19 7.620 33.256 26.460 1.00 0.00 C
127
+ ATOM 126 C GLY A 19 8.448 33.984 25.418 1.00 0.00 C
128
+ ATOM 127 O GLY A 19 9.459 33.460 24.944 1.00 0.00 O
129
+ ATOM 128 N GLU A 20 7.912 35.123 24.994 1.00 0.00 N
130
+ ATOM 129 CA GLU A 20 8.675 35.938 24.054 1.00 0.00 C
131
+ ATOM 130 C GLU A 20 9.414 37.063 24.773 1.00 0.00 C
132
+ ATOM 131 CB GLU A 20 7.757 36.518 22.976 1.00 0.00 C
133
+ ATOM 132 O GLU A 20 8.835 38.114 25.053 1.00 0.00 O
134
+ ATOM 133 CG GLU A 20 7.116 35.466 22.082 1.00 0.00 C
135
+ ATOM 134 CD GLU A 20 6.305 36.061 20.942 1.00 0.00 C
136
+ ATOM 135 OE1 GLU A 20 6.468 37.266 20.646 1.00 0.00 O
137
+ ATOM 136 OE2 GLU A 20 5.500 35.316 20.340 1.00 0.00 O
138
+ ATOM 137 N ASN A 21 10.728 36.871 24.995 1.00 0.00 N
139
+ ATOM 138 CA ASN A 21 11.510 37.789 25.819 1.00 0.00 C
140
+ ATOM 139 C ASN A 21 12.490 38.601 24.977 1.00 0.00 C
141
+ ATOM 140 CB ASN A 21 12.257 37.024 26.913 1.00 0.00 C
142
+ ATOM 141 O ASN A 21 13.428 39.195 25.510 1.00 0.00 O
143
+ ATOM 142 CG ASN A 21 11.321 36.309 27.868 1.00 0.00 C
144
+ ATOM 143 ND2 ASN A 21 11.645 35.063 28.194 1.00 0.00 N
145
+ ATOM 144 OD1 ASN A 21 10.315 36.871 28.308 1.00 0.00 O
146
+ ATOM 145 N LEU A 22 12.345 38.568 23.697 1.00 0.00 N
147
+ ATOM 146 CA LEU A 22 13.238 39.294 22.800 1.00 0.00 C
148
+ ATOM 147 C LEU A 22 12.453 40.244 21.903 1.00 0.00 C
149
+ ATOM 148 CB LEU A 22 14.048 38.317 21.944 1.00 0.00 C
150
+ ATOM 149 O LEU A 22 11.331 39.934 21.495 1.00 0.00 O
151
+ ATOM 150 CG LEU A 22 14.951 37.340 22.698 1.00 0.00 C
152
+ ATOM 151 CD1 LEU A 22 15.511 36.291 21.745 1.00 0.00 C
153
+ ATOM 152 CD2 LEU A 22 16.079 38.088 23.401 1.00 0.00 C
154
+ ATOM 153 N CYS A 23 12.989 41.411 21.755 1.00 0.00 N
155
+ ATOM 154 CA CYS A 23 12.588 42.290 20.661 1.00 0.00 C
156
+ ATOM 155 C CYS A 23 13.447 42.049 19.426 1.00 0.00 C
157
+ ATOM 156 CB CYS A 23 12.689 43.754 21.086 1.00 0.00 C
158
+ ATOM 157 O CYS A 23 14.659 41.857 19.534 1.00 0.00 O
159
+ ATOM 158 SG CYS A 23 11.727 44.152 22.562 1.00 0.00 S
160
+ ATOM 159 N TYR A 24 12.810 42.028 18.237 1.00 0.00 N
161
+ ATOM 160 CA TYR A 24 13.649 41.893 17.053 1.00 0.00 C
162
+ ATOM 161 C TYR A 24 13.345 42.991 16.040 1.00 0.00 C
163
+ ATOM 162 CB TYR A 24 13.452 40.519 16.406 1.00 0.00 C
164
+ ATOM 163 O TYR A 24 12.244 43.547 16.031 1.00 0.00 O
165
+ ATOM 164 CG TYR A 24 12.139 40.373 15.677 1.00 0.00 C
166
+ ATOM 165 CD1 TYR A 24 10.993 39.947 16.344 1.00 0.00 C
167
+ ATOM 166 CD2 TYR A 24 12.042 40.660 14.320 1.00 0.00 C
168
+ ATOM 167 CE1 TYR A 24 9.781 39.810 15.676 1.00 0.00 C
169
+ ATOM 168 CE2 TYR A 24 10.835 40.526 13.641 1.00 0.00 C
170
+ ATOM 169 OH TYR A 24 8.515 39.967 13.659 1.00 0.00 O
171
+ ATOM 170 CZ TYR A 24 9.712 40.101 14.326 1.00 0.00 C
172
+ ATOM 171 N ARG A 25 14.349 43.263 15.292 1.00 0.00 N
173
+ ATOM 172 CA ARG A 25 14.263 44.087 14.091 1.00 0.00 C
174
+ ATOM 173 C ARG A 25 14.850 43.361 12.885 1.00 0.00 C
175
+ ATOM 174 CB ARG A 25 14.980 45.422 14.301 1.00 0.00 C
176
+ ATOM 175 O ARG A 25 16.004 42.926 12.919 1.00 0.00 O
177
+ ATOM 176 CG ARG A 25 14.919 46.350 13.098 1.00 0.00 C
178
+ ATOM 177 CD ARG A 25 15.711 47.629 13.332 1.00 0.00 C
179
+ ATOM 178 NE ARG A 25 17.150 47.396 13.242 1.00 0.00 N
180
+ ATOM 179 NH1 ARG A 25 17.743 49.359 14.305 1.00 0.00 N
181
+ ATOM 180 NH2 ARG A 25 19.363 47.912 13.571 1.00 0.00 N
182
+ ATOM 181 CZ ARG A 25 18.082 48.223 13.706 1.00 0.00 C
183
+ ATOM 182 N LYS A 26 14.039 43.220 11.931 1.00 0.00 N
184
+ ATOM 183 CA LYS A 26 14.419 42.614 10.659 1.00 0.00 C
185
+ ATOM 184 C LYS A 26 14.297 43.614 9.514 1.00 0.00 C
186
+ ATOM 185 CB LYS A 26 13.560 41.382 10.374 1.00 0.00 C
187
+ ATOM 186 O LYS A 26 13.257 44.259 9.355 1.00 0.00 O
188
+ ATOM 187 CG LYS A 26 14.109 40.485 9.274 1.00 0.00 C
189
+ ATOM 188 CD LYS A 26 13.314 39.191 9.159 1.00 0.00 C
190
+ ATOM 189 CE LYS A 26 13.747 38.373 7.949 1.00 0.00 C
191
+ ATOM 190 NZ LYS A 26 12.891 37.162 7.763 1.00 0.00 N
192
+ ATOM 191 N MET A 27 15.410 43.740 8.739 1.00 0.00 N
193
+ ATOM 192 CA MET A 27 15.437 44.697 7.638 1.00 0.00 C
194
+ ATOM 193 C MET A 27 15.951 44.044 6.360 1.00 0.00 C
195
+ ATOM 194 CB MET A 27 16.308 45.904 7.995 1.00 0.00 C
196
+ ATOM 195 O MET A 27 16.882 43.237 6.401 1.00 0.00 O
197
+ ATOM 196 CG MET A 27 15.833 46.659 9.226 1.00 0.00 C
198
+ ATOM 197 SD MET A 27 16.845 48.152 9.567 1.00 0.00 S
199
+ ATOM 198 CE MET A 27 18.414 47.374 10.040 1.00 0.00 C
200
+ ATOM 199 N TRP A 28 15.349 44.403 5.300 1.00 0.00 N
201
+ ATOM 200 CA TRP A 28 15.807 43.899 4.009 1.00 0.00 C
202
+ ATOM 201 C TRP A 28 15.425 44.854 2.885 1.00 0.00 C
203
+ ATOM 202 CB TRP A 28 15.224 42.509 3.738 1.00 0.00 C
204
+ ATOM 203 O TRP A 28 14.630 45.776 3.087 1.00 0.00 O
205
+ ATOM 204 CG TRP A 28 13.738 42.502 3.533 1.00 0.00 C
206
+ ATOM 205 CD1 TRP A 28 13.071 42.547 2.340 1.00 0.00 C
207
+ ATOM 206 CD2 TRP A 28 12.735 42.453 4.552 1.00 0.00 C
208
+ ATOM 207 CE2 TRP A 28 11.481 42.469 3.905 1.00 0.00 C
209
+ ATOM 208 CE3 TRP A 28 12.777 42.395 5.952 1.00 0.00 C
210
+ ATOM 209 NE1 TRP A 28 11.713 42.526 2.557 1.00 0.00 N
211
+ ATOM 210 CH2 TRP A 28 10.344 42.373 5.979 1.00 0.00 C
212
+ ATOM 211 CZ2 TRP A 28 10.276 42.429 4.611 1.00 0.00 C
213
+ ATOM 212 CZ3 TRP A 28 11.578 42.356 6.653 1.00 0.00 C
214
+ ATOM 213 N CYS A 29 16.022 44.681 1.774 1.00 0.00 N
215
+ ATOM 214 CA CYS A 29 15.716 45.485 0.597 1.00 0.00 C
216
+ ATOM 215 C CYS A 29 14.828 44.716 -0.374 1.00 0.00 C
217
+ ATOM 216 CB CYS A 29 17.002 45.917 -0.107 1.00 0.00 C
218
+ ATOM 217 O CYS A 29 15.117 43.566 -0.709 1.00 0.00 O
219
+ ATOM 218 SG CYS A 29 17.769 47.384 0.614 1.00 0.00 S
220
+ ATOM 219 N ASP A 30 13.725 45.308 -0.682 1.00 0.00 N
221
+ ATOM 220 CA ASP A 30 12.936 44.752 -1.777 1.00 0.00 C
222
+ ATOM 221 C ASP A 30 13.063 45.608 -3.036 1.00 0.00 C
223
+ ATOM 222 CB ASP A 30 11.465 44.630 -1.372 1.00 0.00 C
224
+ ATOM 223 O ASP A 30 13.962 46.447 -3.133 1.00 0.00 O
225
+ ATOM 224 CG ASP A 30 10.800 45.976 -1.142 1.00 0.00 C
226
+ ATOM 225 OD1 ASP A 30 11.438 47.022 -1.390 1.00 0.00 O
227
+ ATOM 226 OD2 ASP A 30 9.629 45.990 -0.705 1.00 0.00 O
228
+ ATOM 227 N VAL A 31 12.146 45.477 -3.995 1.00 0.00 N
229
+ ATOM 228 CA VAL A 31 12.261 46.126 -5.297 1.00 0.00 C
230
+ ATOM 229 C VAL A 31 12.093 47.635 -5.139 1.00 0.00 C
231
+ ATOM 230 CB VAL A 31 11.222 45.576 -6.300 1.00 0.00 C
232
+ ATOM 231 O VAL A 31 12.486 48.406 -6.018 1.00 0.00 O
233
+ ATOM 232 CG1 VAL A 31 11.486 44.100 -6.596 1.00 0.00 C
234
+ ATOM 233 CG2 VAL A 31 9.806 45.771 -5.761 1.00 0.00 C
235
+ ATOM 234 N PHE A 32 11.629 48.181 -4.008 1.00 0.00 N
236
+ ATOM 235 CA PHE A 32 11.359 49.603 -3.819 1.00 0.00 C
237
+ ATOM 236 C PHE A 32 12.366 50.221 -2.857 1.00 0.00 C
238
+ ATOM 237 CB PHE A 32 9.935 49.816 -3.298 1.00 0.00 C
239
+ ATOM 238 O PHE A 32 12.149 51.322 -2.346 1.00 0.00 O
240
+ ATOM 239 CG PHE A 32 8.867 49.276 -4.211 1.00 0.00 C
241
+ ATOM 240 CD1 PHE A 32 8.635 49.858 -5.451 1.00 0.00 C
242
+ ATOM 241 CD2 PHE A 32 8.096 48.186 -3.829 1.00 0.00 C
243
+ ATOM 242 CE1 PHE A 32 7.647 49.361 -6.298 1.00 0.00 C
244
+ ATOM 243 CE2 PHE A 32 7.108 47.684 -4.670 1.00 0.00 C
245
+ ATOM 244 CZ PHE A 32 6.884 48.273 -5.904 1.00 0.00 C
246
+ ATOM 245 N CYS A 33 13.318 49.361 -2.580 1.00 0.00 N
247
+ ATOM 246 CA CYS A 33 14.271 49.790 -1.560 1.00 0.00 C
248
+ ATOM 247 C CYS A 33 14.931 51.107 -1.950 1.00 0.00 C
249
+ ATOM 248 CB CYS A 33 15.338 48.719 -1.341 1.00 0.00 C
250
+ ATOM 249 O CYS A 33 15.192 51.951 -1.093 1.00 0.00 O
251
+ ATOM 250 SG CYS A 33 16.410 49.039 0.078 1.00 0.00 S
252
+ ATOM 251 N SER A 34 15.171 51.351 -3.300 1.00 0.00 N
253
+ ATOM 252 CA SER A 34 15.844 52.578 -3.713 1.00 0.00 C
254
+ ATOM 253 C SER A 34 14.977 53.803 -3.438 1.00 0.00 C
255
+ ATOM 254 CB SER A 34 16.200 52.520 -5.199 1.00 0.00 C
256
+ ATOM 255 O SER A 34 15.491 54.873 -3.108 1.00 0.00 O
257
+ ATOM 256 OG SER A 34 15.054 52.234 -5.982 1.00 0.00 O
258
+ ATOM 257 N SER A 35 13.784 53.678 -3.417 1.00 0.00 N
259
+ ATOM 258 CA SER A 35 12.879 54.814 -3.276 1.00 0.00 C
260
+ ATOM 259 C SER A 35 12.354 54.928 -1.848 1.00 0.00 C
261
+ ATOM 260 CB SER A 35 11.707 54.689 -4.250 1.00 0.00 C
262
+ ATOM 261 O SER A 35 12.231 56.032 -1.313 1.00 0.00 O
263
+ ATOM 262 OG SER A 35 10.983 53.492 -4.016 1.00 0.00 O
264
+ ATOM 263 N ARG A 36 12.082 53.886 -1.155 1.00 0.00 N
265
+ ATOM 264 CA ARG A 36 11.344 53.899 0.104 1.00 0.00 C
266
+ ATOM 265 C ARG A 36 12.229 53.450 1.262 1.00 0.00 C
267
+ ATOM 266 CB ARG A 36 10.107 53.003 0.011 1.00 0.00 C
268
+ ATOM 267 O ARG A 36 11.835 53.553 2.426 1.00 0.00 O
269
+ ATOM 268 CG ARG A 36 9.055 53.503 -0.965 1.00 0.00 C
270
+ ATOM 269 CD ARG A 36 7.812 52.624 -0.955 1.00 0.00 C
271
+ ATOM 270 NE ARG A 36 6.826 53.074 -1.934 1.00 0.00 N
272
+ ATOM 271 NH1 ARG A 36 5.370 51.314 -1.583 1.00 0.00 N
273
+ ATOM 272 NH2 ARG A 36 4.863 52.939 -3.119 1.00 0.00 N
274
+ ATOM 273 CZ ARG A 36 5.689 52.442 -2.210 1.00 0.00 C
275
+ ATOM 274 N GLY A 37 13.447 52.960 0.925 1.00 0.00 N
276
+ ATOM 275 CA GLY A 37 14.294 52.399 1.965 1.00 0.00 C
277
+ ATOM 276 C GLY A 37 13.985 50.944 2.266 1.00 0.00 C
278
+ ATOM 277 O GLY A 37 13.126 50.340 1.621 1.00 0.00 O
279
+ ATOM 278 N LYS A 38 14.702 50.428 3.225 1.00 0.00 N
280
+ ATOM 279 CA LYS A 38 14.576 49.015 3.568 1.00 0.00 C
281
+ ATOM 280 C LYS A 38 13.213 48.719 4.187 1.00 0.00 C
282
+ ATOM 281 CB LYS A 38 15.690 48.593 4.528 1.00 0.00 C
283
+ ATOM 282 O LYS A 38 12.619 49.582 4.836 1.00 0.00 O
284
+ ATOM 283 CG LYS A 38 17.077 48.593 3.903 1.00 0.00 C
285
+ ATOM 284 CD LYS A 38 18.133 48.101 4.885 1.00 0.00 C
286
+ ATOM 285 CE LYS A 38 19.523 48.113 4.266 1.00 0.00 C
287
+ ATOM 286 NZ LYS A 38 20.559 47.611 5.218 1.00 0.00 N
288
+ ATOM 287 N VAL A 39 12.645 47.658 3.867 1.00 0.00 N
289
+ ATOM 288 CA VAL A 39 11.519 47.117 4.620 1.00 0.00 C
290
+ ATOM 289 C VAL A 39 11.954 46.805 6.049 1.00 0.00 C
291
+ ATOM 290 CB VAL A 39 10.945 45.847 3.950 1.00 0.00 C
292
+ ATOM 291 O VAL A 39 13.049 46.282 6.272 1.00 0.00 O
293
+ ATOM 292 CG1 VAL A 39 9.768 45.298 4.752 1.00 0.00 C
294
+ ATOM 293 CG2 VAL A 39 10.524 46.148 2.512 1.00 0.00 C
295
+ ATOM 294 N VAL A 40 11.189 47.181 6.966 1.00 0.00 N
296
+ ATOM 295 CA VAL A 40 11.499 46.972 8.376 1.00 0.00 C
297
+ ATOM 296 C VAL A 40 10.385 46.163 9.036 1.00 0.00 C
298
+ ATOM 297 CB VAL A 40 11.695 48.313 9.119 1.00 0.00 C
299
+ ATOM 298 O VAL A 40 9.207 46.512 8.925 1.00 0.00 O
300
+ ATOM 299 CG1 VAL A 40 12.030 48.073 10.590 1.00 0.00 C
301
+ ATOM 300 CG2 VAL A 40 12.791 49.139 8.447 1.00 0.00 C
302
+ ATOM 301 N GLU A 41 10.690 45.123 9.640 1.00 0.00 N
303
+ ATOM 302 CA GLU A 41 9.794 44.306 10.453 1.00 0.00 C
304
+ ATOM 303 C GLU A 41 10.241 44.282 11.912 1.00 0.00 C
305
+ ATOM 304 CB GLU A 41 9.717 42.881 9.903 1.00 0.00 C
306
+ ATOM 305 O GLU A 41 11.393 43.956 12.209 1.00 0.00 O
307
+ ATOM 306 CG GLU A 41 8.680 42.009 10.595 1.00 0.00 C
308
+ ATOM 307 CD GLU A 41 8.755 40.546 10.186 1.00 0.00 C
309
+ ATOM 308 OE1 GLU A 41 9.054 40.261 9.004 1.00 0.00 O
310
+ ATOM 309 OE2 GLU A 41 8.513 39.678 11.055 1.00 0.00 O
311
+ ATOM 310 N LEU A 42 9.306 44.659 12.804 1.00 0.00 N
312
+ ATOM 311 CA LEU A 42 9.549 44.720 14.241 1.00 0.00 C
313
+ ATOM 312 C LEU A 42 8.601 43.792 14.993 1.00 0.00 C
314
+ ATOM 313 CB LEU A 42 9.389 46.155 14.752 1.00 0.00 C
315
+ ATOM 314 O LEU A 42 7.470 43.568 14.558 1.00 0.00 O
316
+ ATOM 315 CG LEU A 42 10.216 47.225 14.037 1.00 0.00 C
317
+ ATOM 316 CD1 LEU A 42 9.785 48.616 14.489 1.00 0.00 C
318
+ ATOM 317 CD2 LEU A 42 11.703 47.011 14.292 1.00 0.00 C
319
+ ATOM 318 N GLY A 43 9.108 43.300 16.150 1.00 0.00 N
320
+ ATOM 319 CA GLY A 43 8.187 42.505 16.947 1.00 0.00 C
321
+ ATOM 320 C GLY A 43 8.858 41.810 18.118 1.00 0.00 C
322
+ ATOM 321 O GLY A 43 10.000 42.121 18.458 1.00 0.00 O
323
+ ATOM 322 N CYS A 44 8.075 40.969 18.749 1.00 0.00 N
324
+ ATOM 323 CA CYS A 44 8.499 40.116 19.854 1.00 0.00 C
325
+ ATOM 324 C CYS A 44 8.878 38.725 19.356 1.00 0.00 C
326
+ ATOM 325 CB CYS A 44 7.393 40.008 20.903 1.00 0.00 C
327
+ ATOM 326 O CYS A 44 8.303 38.233 18.383 1.00 0.00 O
328
+ ATOM 327 SG CYS A 44 6.923 41.593 21.630 1.00 0.00 S
329
+ ATOM 328 N ALA A 45 9.795 38.069 20.044 1.00 0.00 N
330
+ ATOM 329 CA ALA A 45 10.160 36.707 19.665 1.00 0.00 C
331
+ ATOM 330 C ALA A 45 10.690 35.927 20.865 1.00 0.00 C
332
+ ATOM 331 CB ALA A 45 11.198 36.726 18.547 1.00 0.00 C
333
+ ATOM 332 O ALA A 45 11.247 36.512 21.797 1.00 0.00 O
334
+ ATOM 333 N ALA A 46 10.497 34.593 20.837 1.00 0.00 N
335
+ ATOM 334 CA ALA A 46 11.085 33.700 21.833 1.00 0.00 C
336
+ ATOM 335 C ALA A 46 12.549 33.412 21.514 1.00 0.00 C
337
+ ATOM 336 CB ALA A 46 10.293 32.396 21.910 1.00 0.00 C
338
+ ATOM 337 O ALA A 46 13.379 33.311 22.421 1.00 0.00 O
339
+ ATOM 338 N THR A 47 12.887 33.308 20.297 1.00 0.00 N
340
+ ATOM 339 CA THR A 47 14.229 33.139 19.750 1.00 0.00 C
341
+ ATOM 340 C THR A 47 14.471 34.110 18.598 1.00 0.00 C
342
+ ATOM 341 CB THR A 47 14.456 31.694 19.264 1.00 0.00 C
343
+ ATOM 342 O THR A 47 13.544 34.449 17.860 1.00 0.00 O
344
+ ATOM 343 CG2 THR A 47 14.329 30.700 20.413 1.00 0.00 C
345
+ ATOM 344 OG1 THR A 47 13.483 31.376 18.260 1.00 0.00 O
346
+ ATOM 345 N CYS A 48 15.673 34.551 18.569 1.00 0.00 N
347
+ ATOM 346 CA CYS A 48 16.011 35.485 17.499 1.00 0.00 C
348
+ ATOM 347 C CYS A 48 15.728 34.872 16.133 1.00 0.00 C
349
+ ATOM 348 CB CYS A 48 17.480 35.895 17.591 1.00 0.00 C
350
+ ATOM 349 O CYS A 48 16.174 33.761 15.841 1.00 0.00 O
351
+ ATOM 350 SG CYS A 48 17.876 37.393 16.662 1.00 0.00 S
352
+ ATOM 351 N PRO A 49 14.915 35.513 15.264 1.00 0.00 N
353
+ ATOM 352 CA PRO A 49 14.579 34.951 13.954 1.00 0.00 C
354
+ ATOM 353 C PRO A 49 15.813 34.671 13.098 1.00 0.00 C
355
+ ATOM 354 CB PRO A 49 13.708 36.037 13.317 1.00 0.00 C
356
+ ATOM 355 O PRO A 49 16.825 35.366 13.221 1.00 0.00 O
357
+ ATOM 356 CG PRO A 49 13.201 36.843 14.469 1.00 0.00 C
358
+ ATOM 357 CD PRO A 49 14.219 36.794 15.572 1.00 0.00 C
359
+ ATOM 358 N SER A 50 15.763 33.585 12.274 1.00 0.00 N
360
+ ATOM 359 CA SER A 50 16.849 33.238 11.362 1.00 0.00 C
361
+ ATOM 360 C SER A 50 17.034 34.308 10.291 1.00 0.00 C
362
+ ATOM 361 CB SER A 50 16.584 31.885 10.703 1.00 0.00 C
363
+ ATOM 362 O SER A 50 16.062 34.927 9.849 1.00 0.00 O
364
+ ATOM 363 OG SER A 50 15.343 31.892 10.018 1.00 0.00 O
365
+ ATOM 364 N LYS A 51 18.175 34.517 10.033 1.00 0.00 N
366
+ ATOM 365 CA LYS A 51 18.597 35.531 9.071 1.00 0.00 C
367
+ ATOM 366 C LYS A 51 18.840 34.916 7.695 1.00 0.00 C
368
+ ATOM 367 CB LYS A 51 19.861 36.240 9.559 1.00 0.00 C
369
+ ATOM 368 O LYS A 51 19.549 33.915 7.574 1.00 0.00 O
370
+ ATOM 369 CG LYS A 51 20.415 37.261 8.576 1.00 0.00 C
371
+ ATOM 370 CD LYS A 51 21.741 37.837 9.057 1.00 0.00 C
372
+ ATOM 371 CE LYS A 51 22.397 38.702 7.987 1.00 0.00 C
373
+ ATOM 372 NZ LYS A 51 23.663 39.323 8.478 1.00 0.00 N
374
+ ATOM 373 N LYS A 52 18.132 35.408 6.682 1.00 0.00 N
375
+ ATOM 374 CA LYS A 52 18.502 35.122 5.299 1.00 0.00 C
376
+ ATOM 375 C LYS A 52 19.659 36.008 4.846 1.00 0.00 C
377
+ ATOM 376 CB LYS A 52 17.301 35.312 4.371 1.00 0.00 C
378
+ ATOM 377 O LYS A 52 19.908 37.062 5.435 1.00 0.00 O
379
+ ATOM 378 CG LYS A 52 16.117 34.415 4.699 1.00 0.00 C
380
+ ATOM 379 CD LYS A 52 14.945 34.672 3.762 1.00 0.00 C
381
+ ATOM 380 CE LYS A 52 13.729 33.837 4.142 1.00 0.00 C
382
+ ATOM 381 NZ LYS A 52 12.567 34.109 3.245 1.00 0.00 N
383
+ ATOM 382 N PRO A 53 20.479 35.553 3.792 1.00 0.00 N
384
+ ATOM 383 CA PRO A 53 21.656 36.332 3.403 1.00 0.00 C
385
+ ATOM 384 C PRO A 53 21.325 37.794 3.111 1.00 0.00 C
386
+ ATOM 385 CB PRO A 53 22.147 35.622 2.139 1.00 0.00 C
387
+ ATOM 386 O PRO A 53 22.162 38.675 3.327 1.00 0.00 O
388
+ ATOM 387 CG PRO A 53 21.696 34.206 2.297 1.00 0.00 C
389
+ ATOM 388 CD PRO A 53 20.406 34.200 3.066 1.00 0.00 C
390
+ ATOM 389 N TYR A 54 20.205 38.134 2.683 1.00 0.00 N
391
+ ATOM 390 CA TYR A 54 19.916 39.506 2.281 1.00 0.00 C
392
+ ATOM 391 C TYR A 54 19.209 40.263 3.399 1.00 0.00 C
393
+ ATOM 392 CB TYR A 54 19.057 39.525 1.013 1.00 0.00 C
394
+ ATOM 393 O TYR A 54 18.717 41.375 3.189 1.00 0.00 O
395
+ ATOM 394 CG TYR A 54 17.851 38.621 1.084 1.00 0.00 C
396
+ ATOM 395 CD1 TYR A 54 17.925 37.293 0.666 1.00 0.00 C
397
+ ATOM 396 CD2 TYR A 54 16.634 39.091 1.566 1.00 0.00 C
398
+ ATOM 397 CE1 TYR A 54 16.815 36.457 0.728 1.00 0.00 C
399
+ ATOM 398 CE2 TYR A 54 15.517 38.264 1.631 1.00 0.00 C
400
+ ATOM 399 OH TYR A 54 14.516 36.126 1.273 1.00 0.00 O
401
+ ATOM 400 CZ TYR A 54 15.618 36.950 1.210 1.00 0.00 C
402
+ ATOM 401 N GLU A 55 19.110 39.654 4.559 1.00 0.00 N
403
+ ATOM 402 CA GLU A 55 18.389 40.273 5.668 1.00 0.00 C
404
+ ATOM 403 C GLU A 55 19.340 40.669 6.793 1.00 0.00 C
405
+ ATOM 404 CB GLU A 55 17.307 39.328 6.200 1.00 0.00 C
406
+ ATOM 405 O GLU A 55 20.367 40.019 7.003 1.00 0.00 O
407
+ ATOM 406 CG GLU A 55 16.214 39.012 5.191 1.00 0.00 C
408
+ ATOM 407 CD GLU A 55 15.166 38.048 5.722 1.00 0.00 C
409
+ ATOM 408 OE1 GLU A 55 15.433 37.358 6.733 1.00 0.00 O
410
+ ATOM 409 OE2 GLU A 55 14.069 37.982 5.124 1.00 0.00 O
411
+ ATOM 410 N GLU A 56 19.092 41.699 7.421 1.00 0.00 N
412
+ ATOM 411 CA GLU A 56 19.698 42.100 8.688 1.00 0.00 C
413
+ ATOM 412 C GLU A 56 18.736 41.883 9.853 1.00 0.00 C
414
+ ATOM 413 CB GLU A 56 20.138 43.564 8.633 1.00 0.00 C
415
+ ATOM 414 O GLU A 56 17.627 42.422 9.857 1.00 0.00 O
416
+ ATOM 415 CG GLU A 56 21.201 43.850 7.582 1.00 0.00 C
417
+ ATOM 416 CD GLU A 56 21.541 45.326 7.458 1.00 0.00 C
418
+ ATOM 417 OE1 GLU A 56 21.001 46.141 8.238 1.00 0.00 O
419
+ ATOM 418 OE2 GLU A 56 22.355 45.670 6.572 1.00 0.00 O
420
+ ATOM 419 N VAL A 57 19.226 41.110 10.826 1.00 0.00 N
421
+ ATOM 420 CA VAL A 57 18.386 40.806 11.979 1.00 0.00 C
422
+ ATOM 421 C VAL A 57 19.123 41.168 13.267 1.00 0.00 C
423
+ ATOM 422 CB VAL A 57 17.972 39.317 12.003 1.00 0.00 C
424
+ ATOM 423 O VAL A 57 20.287 40.802 13.447 1.00 0.00 O
425
+ ATOM 424 CG1 VAL A 57 17.119 39.013 13.233 1.00 0.00 C
426
+ ATOM 425 CG2 VAL A 57 17.222 38.952 10.723 1.00 0.00 C
427
+ ATOM 426 N THR A 58 18.526 41.949 14.115 1.00 0.00 N
428
+ ATOM 427 CA THR A 58 19.050 42.298 15.431 1.00 0.00 C
429
+ ATOM 428 C THR A 58 18.048 41.938 16.524 1.00 0.00 C
430
+ ATOM 429 CB THR A 58 19.390 43.798 15.518 1.00 0.00 C
431
+ ATOM 430 O THR A 58 16.845 42.157 16.368 1.00 0.00 O
432
+ ATOM 431 CG2 THR A 58 20.083 44.130 16.835 1.00 0.00 C
433
+ ATOM 432 OG1 THR A 58 20.259 44.146 14.432 1.00 0.00 O
434
+ ATOM 433 N CYS A 59 18.517 41.328 17.561 1.00 0.00 N
435
+ ATOM 434 CA CYS A 59 17.693 40.962 18.709 1.00 0.00 C
436
+ ATOM 435 C CYS A 59 18.246 41.571 19.992 1.00 0.00 C
437
+ ATOM 436 CB CYS A 59 17.612 39.443 18.849 1.00 0.00 C
438
+ ATOM 437 O CYS A 59 19.457 41.759 20.124 1.00 0.00 O
439
+ ATOM 438 SG CYS A 59 16.717 38.636 17.503 1.00 0.00 S
440
+ ATOM 439 N CYS A 60 17.427 41.920 20.851 1.00 0.00 N
441
+ ATOM 440 CA CYS A 60 17.770 42.518 22.136 1.00 0.00 C
442
+ ATOM 441 C CYS A 60 16.726 42.177 23.193 1.00 0.00 C
443
+ ATOM 442 CB CYS A 60 17.898 44.035 22.004 1.00 0.00 C
444
+ ATOM 443 O CYS A 60 15.671 41.627 22.874 1.00 0.00 O
445
+ ATOM 444 SG CYS A 60 16.466 44.823 21.235 1.00 0.00 S
446
+ ATOM 445 N SER A 61 17.036 42.494 24.484 1.00 0.00 N
447
+ ATOM 446 CA SER A 61 16.189 41.978 25.555 1.00 0.00 C
448
+ ATOM 447 C SER A 61 15.763 43.089 26.509 1.00 0.00 C
449
+ ATOM 448 CB SER A 61 16.916 40.879 26.331 1.00 0.00 C
450
+ ATOM 449 O SER A 61 15.391 42.823 27.653 1.00 0.00 O
451
+ ATOM 450 OG SER A 61 18.148 41.357 26.844 1.00 0.00 O
452
+ ATOM 451 N THR A 62 15.880 44.355 26.143 1.00 0.00 N
453
+ ATOM 452 CA THR A 62 15.415 45.462 26.971 1.00 0.00 C
454
+ ATOM 453 C THR A 62 14.186 46.121 26.351 1.00 0.00 C
455
+ ATOM 454 CB THR A 62 16.520 46.516 27.171 1.00 0.00 C
456
+ ATOM 455 O THR A 62 13.957 46.008 25.145 1.00 0.00 O
457
+ ATOM 456 CG2 THR A 62 17.771 45.891 27.780 1.00 0.00 C
458
+ ATOM 457 OG1 THR A 62 16.856 47.091 25.902 1.00 0.00 O
459
+ ATOM 458 N ASP A 63 13.502 46.800 27.079 1.00 0.00 N
460
+ ATOM 459 CA ASP A 63 12.280 47.445 26.607 1.00 0.00 C
461
+ ATOM 460 C ASP A 63 12.573 48.403 25.455 1.00 0.00 C
462
+ ATOM 461 CB ASP A 63 11.592 48.195 27.751 1.00 0.00 C
463
+ ATOM 462 O ASP A 63 13.506 49.206 25.531 1.00 0.00 O
464
+ ATOM 463 CG ASP A 63 10.932 47.267 28.756 1.00 0.00 C
465
+ ATOM 464 OD1 ASP A 63 10.832 46.051 28.488 1.00 0.00 O
466
+ ATOM 465 OD2 ASP A 63 10.505 47.758 29.823 1.00 0.00 O
467
+ ATOM 466 N LYS A 64 11.774 48.184 24.339 1.00 0.00 N
468
+ ATOM 467 CA LYS A 64 11.702 49.071 23.182 1.00 0.00 C
469
+ ATOM 468 C LYS A 64 13.061 49.195 22.499 1.00 0.00 C
470
+ ATOM 469 CB LYS A 64 11.196 50.454 23.596 1.00 0.00 C
471
+ ATOM 470 O LYS A 64 13.396 50.251 21.958 1.00 0.00 O
472
+ ATOM 471 CG LYS A 64 9.763 50.461 24.107 1.00 0.00 C
473
+ ATOM 472 CD LYS A 64 9.308 51.867 24.476 1.00 0.00 C
474
+ ATOM 473 CE LYS A 64 7.997 51.847 25.250 1.00 0.00 C
475
+ ATOM 474 NZ LYS A 64 7.597 53.213 25.700 1.00 0.00 N
476
+ ATOM 475 N CYS A 65 13.875 48.161 22.661 1.00 0.00 N
477
+ ATOM 476 CA CYS A 65 15.259 48.148 22.200 1.00 0.00 C
478
+ ATOM 477 C CYS A 65 15.332 47.903 20.698 1.00 0.00 C
479
+ ATOM 478 CB CYS A 65 16.060 47.077 22.940 1.00 0.00 C
480
+ ATOM 479 O CYS A 65 16.421 47.764 20.139 1.00 0.00 O
481
+ ATOM 480 SG CYS A 65 15.354 45.420 22.810 1.00 0.00 S
482
+ ATOM 481 N ASN A 66 14.125 47.774 20.007 1.00 0.00 N
483
+ ATOM 482 CA ASN A 66 14.051 47.547 18.568 1.00 0.00 C
484
+ ATOM 483 C ASN A 66 13.344 48.696 17.855 1.00 0.00 C
485
+ ATOM 484 CB ASN A 66 13.345 46.222 18.268 1.00 0.00 C
486
+ ATOM 485 O ASN A 66 12.348 48.484 17.161 1.00 0.00 O
487
+ ATOM 486 CG ASN A 66 11.935 46.175 18.823 1.00 0.00 C
488
+ ATOM 487 ND2 ASN A 66 11.056 45.444 18.145 1.00 0.00 N
489
+ ATOM 488 OD1 ASN A 66 11.637 46.789 19.849 1.00 0.00 O
490
+ ATOM 489 N PRO A 67 13.966 49.918 17.933 1.00 0.00 N
491
+ ATOM 490 CA PRO A 67 13.307 51.057 17.290 1.00 0.00 C
492
+ ATOM 491 C PRO A 67 13.388 51.002 15.765 1.00 0.00 C
493
+ ATOM 492 CB PRO A 67 14.077 52.262 17.833 1.00 0.00 C
494
+ ATOM 493 O PRO A 67 14.318 50.409 15.214 1.00 0.00 O
495
+ ATOM 494 CG PRO A 67 15.465 51.758 18.062 1.00 0.00 C
496
+ ATOM 495 CD PRO A 67 15.385 50.327 18.510 1.00 0.00 C
497
+ ATOM 496 N HIS A 68 12.308 51.430 15.116 1.00 0.00 N
498
+ ATOM 497 CA HIS A 68 12.415 51.674 13.681 1.00 0.00 C
499
+ ATOM 498 C HIS A 68 13.541 52.654 13.371 1.00 0.00 C
500
+ ATOM 499 CB HIS A 68 11.091 52.204 13.128 1.00 0.00 C
501
+ ATOM 500 O HIS A 68 13.696 53.666 14.059 1.00 0.00 O
502
+ ATOM 501 CG HIS A 68 11.003 52.161 11.636 1.00 0.00 C
503
+ ATOM 502 CD2 HIS A 68 10.305 51.348 10.809 1.00 0.00 C
504
+ ATOM 503 ND1 HIS A 68 11.697 53.033 10.825 1.00 0.00 N
505
+ ATOM 504 CE1 HIS A 68 11.428 52.756 9.560 1.00 0.00 C
506
+ ATOM 505 NE2 HIS A 68 10.585 51.739 9.523 1.00 0.00 N
507
+ ATOM 506 N PRO A 69 14.391 52.402 12.347 1.00 0.00 N
508
+ ATOM 507 CA PRO A 69 15.502 53.317 12.071 1.00 0.00 C
509
+ ATOM 508 C PRO A 69 15.038 54.751 11.826 1.00 0.00 C
510
+ ATOM 509 CB PRO A 69 16.139 52.726 10.811 1.00 0.00 C
511
+ ATOM 510 O PRO A 69 15.777 55.699 12.105 1.00 0.00 O
512
+ ATOM 511 CG PRO A 69 15.693 51.300 10.790 1.00 0.00 C
513
+ ATOM 512 CD PRO A 69 14.386 51.198 11.523 1.00 0.00 C
514
+ ATOM 513 N LYS A 70 13.865 55.014 11.256 1.00 0.00 N
515
+ ATOM 514 CA LYS A 70 13.388 56.369 10.994 1.00 0.00 C
516
+ ATOM 515 C LYS A 70 12.671 56.946 12.210 1.00 0.00 C
517
+ ATOM 516 CB LYS A 70 12.459 56.386 9.779 1.00 0.00 C
518
+ ATOM 517 O LYS A 70 12.308 58.124 12.223 1.00 0.00 O
519
+ ATOM 518 CG LYS A 70 13.158 56.100 8.459 1.00 0.00 C
520
+ ATOM 519 CD LYS A 70 12.211 56.263 7.277 1.00 0.00 C
521
+ ATOM 520 CE LYS A 70 12.923 56.030 5.951 1.00 0.00 C
522
+ ATOM 521 NZ LYS A 70 11.982 56.111 4.795 1.00 0.00 N
523
+ ATOM 522 N GLN A 71 12.399 56.165 13.151 1.00 0.00 N
524
+ ATOM 523 CA GLN A 71 11.740 56.646 14.362 1.00 0.00 C
525
+ ATOM 524 C GLN A 71 12.761 57.077 15.411 1.00 0.00 C
526
+ ATOM 525 CB GLN A 71 10.819 55.568 14.937 1.00 0.00 C
527
+ ATOM 526 O GLN A 71 13.754 56.383 15.638 1.00 0.00 O
528
+ ATOM 527 CG GLN A 71 9.391 55.636 14.415 1.00 0.00 C
529
+ ATOM 528 CD GLN A 71 8.479 54.612 15.064 1.00 0.00 C
530
+ ATOM 529 NE2 GLN A 71 7.173 54.833 14.964 1.00 0.00 N
531
+ ATOM 530 OE1 GLN A 71 8.945 53.629 15.650 1.00 0.00 O
532
+ ATOM 531 N ARG A 72 13.085 58.456 15.535 1.00 0.00 N
533
+ ATOM 532 CA ARG A 72 13.921 59.232 16.446 1.00 0.00 C
534
+ ATOM 533 C ARG A 72 13.515 58.999 17.896 1.00 0.00 C
535
+ ATOM 534 CB ARG A 72 13.838 60.723 16.111 1.00 0.00 C
536
+ ATOM 535 O ARG A 72 12.327 58.873 18.201 1.00 0.00 O
537
+ ATOM 536 CG ARG A 72 14.477 61.095 14.783 1.00 0.00 C
538
+ ATOM 537 CD ARG A 72 14.591 62.603 14.614 1.00 0.00 C
539
+ ATOM 538 NE ARG A 72 15.110 62.960 13.296 1.00 0.00 N
540
+ ATOM 539 NH1 ARG A 72 15.283 65.219 13.747 1.00 0.00 N
541
+ ATOM 540 NH2 ARG A 72 15.891 64.406 11.692 1.00 0.00 N
542
+ ATOM 541 CZ ARG A 72 15.427 64.194 12.915 1.00 0.00 C
543
+ ATOM 542 N PRO A 73 14.333 58.383 18.874 1.00 0.00 N
544
+ ATOM 543 CA PRO A 73 13.935 58.476 20.280 1.00 0.00 C
545
+ ATOM 544 C PRO A 73 13.054 59.692 20.565 1.00 0.00 C
546
+ ATOM 545 CB PRO A 73 15.271 58.586 21.020 1.00 0.00 C
547
+ ATOM 546 O PRO A 73 13.291 60.771 20.018 1.00 0.00 O
548
+ ATOM 547 CG PRO A 73 16.308 58.511 19.946 1.00 0.00 C
549
+ ATOM 548 CD PRO A 73 15.618 58.538 18.612 1.00 0.00 C
550
+ ATOM 549 N GLY A 74 11.635 59.558 20.492 1.00 0.00 N
551
+ ATOM 550 CA GLY A 74 10.993 60.643 21.215 1.00 0.00 C
552
+ ATOM 551 C GLY A 74 11.488 60.785 22.643 1.00 0.00 C
553
+ ATOM 552 O GLY A 74 12.080 59.856 23.195 1.00 0.00 O
554
+ ATOM 553 OXT GLY A 74 11.010 61.898 22.619 1.00 0.00 O
555
+ TER 554 GLY A 74
556
+ CONECT 21 158
557
+ CONECT 109 327
558
+ CONECT 158 21
559
+ CONECT 218 250
560
+ CONECT 250 218
561
+ CONECT 327 109
562
+ CONECT 350 438
563
+ CONECT 438 350
564
+ CONECT 444 480
565
+ CONECT 480 444
566
+ END
1hc9/1hc9_protein_processed_fix.pdb ADDED
@@ -0,0 +1,1106 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ILE A 1 9.976 41.740 28.580 1.00 0.00 N
3
+ ATOM 2 CA ILE A 1 10.472 42.939 27.840 1.00 0.00 C
4
+ ATOM 3 C ILE A 1 9.363 43.515 26.956 1.00 0.00 C
5
+ ATOM 4 O ILE A 1 8.461 42.796 26.532 1.00 0.00 O
6
+ ATOM 5 CB ILE A 1 11.697 42.570 26.953 1.00 0.00 C
7
+ ATOM 6 CG1 ILE A 1 12.355 43.840 26.404 1.00 0.00 C
8
+ ATOM 7 CG2 ILE A 1 11.264 41.665 25.807 1.00 0.00 C
9
+ ATOM 8 CD1 ILE A 1 13.690 43.590 25.707 1.00 0.00 C
10
+ ATOM 9 H ILE A 1 10.622 41.130 28.624 1.00 0.00 H
11
+ ATOM 10 H2 ILE A 1 9.736 41.977 29.404 1.00 0.00 H
12
+ ATOM 11 H3 ILE A 1 9.273 41.398 28.154 1.00 0.00 H
13
+ ATOM 12 HA ILE A 1 10.742 43.604 28.493 1.00 0.00 H
14
+ ATOM 13 HB ILE A 1 12.343 42.095 27.498 1.00 0.00 H
15
+ ATOM 14 HG12 ILE A 1 11.747 44.264 25.778 1.00 0.00 H
16
+ ATOM 15 HG13 ILE A 1 12.492 44.464 27.134 1.00 0.00 H
17
+ ATOM 16 HG21 ILE A 1 12.035 41.442 25.262 1.00 0.00 H
18
+ ATOM 17 HG22 ILE A 1 10.876 40.852 26.166 1.00 0.00 H
19
+ ATOM 18 HG23 ILE A 1 10.605 42.124 25.263 1.00 0.00 H
20
+ ATOM 19 HD11 ILE A 1 14.050 44.431 25.385 1.00 0.00 H
21
+ ATOM 20 HD12 ILE A 1 14.313 43.191 26.334 1.00 0.00 H
22
+ ATOM 21 HD13 ILE A 1 13.557 42.988 24.958 1.00 0.00 H
23
+ ATOM 22 N VAL A 2 9.428 44.818 26.704 1.00 0.00 N
24
+ ATOM 23 CA VAL A 2 8.451 45.504 25.860 1.00 0.00 C
25
+ ATOM 24 C VAL A 2 9.159 45.901 24.565 1.00 0.00 C
26
+ ATOM 25 O VAL A 2 10.224 46.513 24.606 1.00 0.00 O
27
+ ATOM 26 CB VAL A 2 7.910 46.779 26.552 1.00 0.00 C
28
+ ATOM 27 CG1 VAL A 2 7.049 47.580 25.582 1.00 0.00 C
29
+ ATOM 28 CG2 VAL A 2 7.109 46.395 27.793 1.00 0.00 C
30
+ ATOM 29 H VAL A 2 10.042 45.332 27.018 1.00 0.00 H
31
+ ATOM 30 HA VAL A 2 7.700 44.914 25.690 1.00 0.00 H
32
+ ATOM 31 HB VAL A 2 8.657 47.334 26.825 1.00 0.00 H
33
+ ATOM 32 HG11 VAL A 2 6.716 48.376 26.026 1.00 0.00 H
34
+ ATOM 33 HG12 VAL A 2 7.582 47.838 24.813 1.00 0.00 H
35
+ ATOM 34 HG13 VAL A 2 6.301 47.037 25.289 1.00 0.00 H
36
+ ATOM 35 HG21 VAL A 2 6.773 47.197 28.222 1.00 0.00 H
37
+ ATOM 36 HG22 VAL A 2 6.364 45.830 27.535 1.00 0.00 H
38
+ ATOM 37 HG23 VAL A 2 7.681 45.913 28.411 1.00 0.00 H
39
+ ATOM 38 N CYS A 3 8.559 45.565 23.423 1.00 0.00 N
40
+ ATOM 39 CA CYS A 3 9.166 45.852 22.120 1.00 0.00 C
41
+ ATOM 40 C CYS A 3 8.255 46.532 21.115 1.00 0.00 C
42
+ ATOM 41 O CYS A 3 7.029 46.407 21.185 1.00 0.00 O
43
+ ATOM 42 CB CYS A 3 9.644 44.551 21.474 1.00 0.00 C
44
+ ATOM 43 SG CYS A 3 10.774 43.560 22.488 1.00 0.00 S
45
+ ATOM 44 H CYS A 3 7.797 45.169 23.380 1.00 0.00 H
46
+ ATOM 45 HA CYS A 3 9.888 46.468 22.321 1.00 0.00 H
47
+ ATOM 46 HB2 CYS A 3 8.869 44.010 21.256 1.00 0.00 H
48
+ ATOM 47 HB3 CYS A 3 10.085 44.765 20.637 1.00 0.00 H
49
+ ATOM 48 N HIS A 4 8.868 47.237 20.164 1.00 0.00 N
50
+ ATOM 49 CA HIS A 4 8.118 47.883 19.095 1.00 0.00 C
51
+ ATOM 50 C HIS A 4 7.691 46.746 18.162 1.00 0.00 C
52
+ ATOM 51 O HIS A 4 8.413 45.757 18.022 1.00 0.00 O
53
+ ATOM 52 CB HIS A 4 9.011 48.858 18.320 1.00 0.00 C
54
+ ATOM 53 CG HIS A 4 9.354 50.106 19.075 1.00 0.00 C
55
+ ATOM 54 ND1 HIS A 4 8.440 51.113 19.302 1.00 0.00 N
56
+ ATOM 55 CD2 HIS A 4 10.517 50.521 19.633 1.00 0.00 C
57
+ ATOM 56 CE1 HIS A 4 9.027 52.097 19.962 1.00 0.00 C
58
+ ATOM 57 NE2 HIS A 4 10.288 51.763 20.174 1.00 0.00 N
59
+ ATOM 58 H HIS A 4 9.719 47.352 20.122 1.00 0.00 H
60
+ ATOM 59 HA HIS A 4 7.367 48.387 19.445 1.00 0.00 H
61
+ ATOM 60 HB2 HIS A 4 9.832 48.404 18.075 1.00 0.00 H
62
+ ATOM 61 HB3 HIS A 4 8.565 49.103 17.494 1.00 0.00 H
63
+ ATOM 62 HD1 HIS A 4 7.617 51.103 19.053 1.00 0.00 H
64
+ ATOM 63 HD2 HIS A 4 11.320 50.053 19.647 1.00 0.00 H
65
+ ATOM 64 HE1 HIS A 4 8.621 52.889 20.231 1.00 0.00 H
66
+ ATOM 65 HE2 HIS A 4 10.871 52.245 20.584 1.00 0.00 H
67
+ ATOM 66 N THR A 5 6.524 46.877 17.536 1.00 0.00 N
68
+ ATOM 67 CA THR A 5 6.037 45.851 16.613 1.00 0.00 C
69
+ ATOM 68 C THR A 5 5.466 46.485 15.349 1.00 0.00 C
70
+ ATOM 69 O THR A 5 4.780 47.502 15.416 1.00 0.00 O
71
+ ATOM 70 CB THR A 5 4.930 44.963 17.252 1.00 0.00 C
72
+ ATOM 71 OG1 THR A 5 4.354 44.126 16.242 1.00 0.00 O
73
+ ATOM 72 CG2 THR A 5 3.826 45.816 17.873 1.00 0.00 C
74
+ ATOM 73 H THR A 5 5.999 47.551 17.631 1.00 0.00 H
75
+ ATOM 74 HA THR A 5 6.802 45.296 16.397 1.00 0.00 H
76
+ ATOM 75 HB THR A 5 5.337 44.427 17.950 1.00 0.00 H
77
+ ATOM 76 HG1 THR A 5 4.950 43.891 15.699 1.00 0.00 H
78
+ ATOM 77 HG21 THR A 5 3.151 45.238 18.263 1.00 0.00 H
79
+ ATOM 78 HG22 THR A 5 4.204 46.383 18.564 1.00 0.00 H
80
+ ATOM 79 HG23 THR A 5 3.420 46.370 17.188 1.00 0.00 H
81
+ ATOM 80 N THR A 6 5.759 45.891 14.196 1.00 0.00 N
82
+ ATOM 81 CA THR A 6 5.242 46.408 12.936 1.00 0.00 C
83
+ ATOM 82 C THR A 6 3.936 45.701 12.582 1.00 0.00 C
84
+ ATOM 83 O THR A 6 3.393 45.881 11.492 1.00 0.00 O
85
+ ATOM 84 CB THR A 6 6.260 46.228 11.779 1.00 0.00 C
86
+ ATOM 85 OG1 THR A 6 6.851 44.923 11.851 1.00 0.00 O
87
+ ATOM 86 CG2 THR A 6 7.357 47.285 11.865 1.00 0.00 C
88
+ ATOM 87 H THR A 6 6.253 45.191 14.123 1.00 0.00 H
89
+ ATOM 88 HA THR A 6 5.084 47.358 13.051 1.00 0.00 H
90
+ ATOM 89 HB THR A 6 5.790 46.328 10.936 1.00 0.00 H
91
+ ATOM 90 HG1 THR A 6 6.254 44.353 12.006 1.00 0.00 H
92
+ ATOM 91 HG21 THR A 6 7.985 47.160 11.136 1.00 0.00 H
93
+ ATOM 92 HG22 THR A 6 6.961 48.168 11.802 1.00 0.00 H
94
+ ATOM 93 HG23 THR A 6 7.823 47.200 12.711 1.00 0.00 H
95
+ ATOM 94 N ALA A 7 3.432 44.900 13.514 1.00 0.00 N
96
+ ATOM 95 CA ALA A 7 2.182 44.182 13.295 1.00 0.00 C
97
+ ATOM 96 C ALA A 7 1.010 45.152 13.384 1.00 0.00 C
98
+ ATOM 97 O ALA A 7 -0.096 44.857 12.918 1.00 0.00 O
99
+ ATOM 98 CB ALA A 7 2.024 43.072 14.329 1.00 0.00 C
100
+ ATOM 99 H ALA A 7 3.798 44.758 14.279 1.00 0.00 H
101
+ ATOM 100 HA ALA A 7 2.197 43.782 12.411 1.00 0.00 H
102
+ ATOM 101 HB1 ALA A 7 1.190 42.601 14.174 1.00 0.00 H
103
+ ATOM 102 HB2 ALA A 7 2.765 42.450 14.252 1.00 0.00 H
104
+ ATOM 103 HB3 ALA A 7 2.017 43.457 15.219 1.00 0.00 H
105
+ ATOM 104 N THR A 8 1.250 46.317 13.975 1.00 0.00 N
106
+ ATOM 105 CA THR A 8 0.186 47.299 14.117 1.00 0.00 C
107
+ ATOM 106 C THR A 8 0.415 48.564 13.304 1.00 0.00 C
108
+ ATOM 107 O THR A 8 1.519 48.827 12.824 1.00 0.00 O
109
+ ATOM 108 CB THR A 8 -0.013 47.710 15.594 1.00 0.00 C
110
+ ATOM 109 OG1 THR A 8 1.174 48.351 16.089 1.00 0.00 O
111
+ ATOM 110 CG2 THR A 8 -0.336 46.485 16.450 1.00 0.00 C
112
+ ATOM 111 H THR A 8 2.011 46.555 14.296 1.00 0.00 H
113
+ ATOM 112 HA THR A 8 -0.606 46.855 13.777 1.00 0.00 H
114
+ ATOM 113 HB THR A 8 -0.756 48.331 15.645 1.00 0.00 H
115
+ ATOM 114 HG1 THR A 8 1.581 47.828 16.606 1.00 0.00 H
116
+ ATOM 115 HG21 THR A 8 -0.458 46.758 17.373 1.00 0.00 H
117
+ ATOM 116 HG22 THR A 8 -1.150 46.069 16.126 1.00 0.00 H
118
+ ATOM 117 HG23 THR A 8 0.395 45.850 16.395 1.00 0.00 H
119
+ ATOM 118 N SER A 9 -0.654 49.337 13.156 1.00 0.00 N
120
+ ATOM 119 CA SER A 9 -0.622 50.601 12.435 1.00 0.00 C
121
+ ATOM 120 C SER A 9 -1.434 51.609 13.239 1.00 0.00 C
122
+ ATOM 121 O SER A 9 -2.656 51.476 13.367 1.00 0.00 O
123
+ ATOM 122 CB SER A 9 -1.233 50.451 11.041 1.00 0.00 C
124
+ ATOM 123 OG SER A 9 -1.271 51.706 10.383 1.00 0.00 O
125
+ ATOM 124 H SER A 9 -1.428 49.139 13.476 1.00 0.00 H
126
+ ATOM 125 HA SER A 9 0.296 50.894 12.328 1.00 0.00 H
127
+ ATOM 126 HB2 SER A 9 -0.712 49.821 10.519 1.00 0.00 H
128
+ ATOM 127 HB3 SER A 9 -2.130 50.088 11.111 1.00 0.00 H
129
+ ATOM 128 HG SER A 9 -1.737 52.243 10.830 1.00 0.00 H
130
+ ATOM 129 N PRO A 10 -0.765 52.625 13.803 1.00 0.00 N
131
+ ATOM 130 CA PRO A 10 0.686 52.825 13.694 1.00 0.00 C
132
+ ATOM 131 C PRO A 10 1.508 51.830 14.510 1.00 0.00 C
133
+ ATOM 132 O PRO A 10 0.967 51.043 15.296 1.00 0.00 O
134
+ ATOM 133 CB PRO A 10 0.868 54.260 14.186 1.00 0.00 C
135
+ ATOM 134 CG PRO A 10 -0.197 54.381 15.232 1.00 0.00 C
136
+ ATOM 135 CD PRO A 10 -1.391 53.727 14.554 1.00 0.00 C
137
+ ATOM 136 HA PRO A 10 1.007 52.678 12.790 1.00 0.00 H
138
+ ATOM 137 HB2 PRO A 10 1.754 54.406 14.554 1.00 0.00 H
139
+ ATOM 138 HB3 PRO A 10 0.747 54.905 13.471 1.00 0.00 H
140
+ ATOM 139 HG2 PRO A 10 0.048 53.925 16.053 1.00 0.00 H
141
+ ATOM 140 HG3 PRO A 10 -0.374 55.306 15.463 1.00 0.00 H
142
+ ATOM 141 HD2 PRO A 10 -2.039 53.403 15.198 1.00 0.00 H
143
+ ATOM 142 HD3 PRO A 10 -1.857 54.344 13.969 1.00 0.00 H
144
+ ATOM 143 N ILE A 11 2.821 51.856 14.299 1.00 0.00 N
145
+ ATOM 144 CA ILE A 11 3.728 50.983 15.038 1.00 0.00 C
146
+ ATOM 145 C ILE A 11 3.533 51.291 16.519 1.00 0.00 C
147
+ ATOM 146 O ILE A 11 3.466 52.451 16.911 1.00 0.00 O
148
+ ATOM 147 CB ILE A 11 5.203 51.265 14.654 1.00 0.00 C
149
+ ATOM 148 CG1 ILE A 11 5.464 50.787 13.221 1.00 0.00 C
150
+ ATOM 149 CG2 ILE A 11 6.142 50.589 15.646 1.00 0.00 C
151
+ ATOM 150 CD1 ILE A 11 6.820 51.199 12.653 1.00 0.00 C
152
+ ATOM 151 H ILE A 11 3.207 52.373 13.731 1.00 0.00 H
153
+ ATOM 152 HA ILE A 11 3.537 50.054 14.833 1.00 0.00 H
154
+ ATOM 153 HB ILE A 11 5.371 52.220 14.691 1.00 0.00 H
155
+ ATOM 154 HG12 ILE A 11 5.397 49.820 13.198 1.00 0.00 H
156
+ ATOM 155 HG13 ILE A 11 4.766 51.134 12.644 1.00 0.00 H
157
+ ATOM 156 HG21 ILE A 11 7.062 50.771 15.397 1.00 0.00 H
158
+ ATOM 157 HG22 ILE A 11 5.974 50.934 16.537 1.00 0.00 H
159
+ ATOM 158 HG23 ILE A 11 5.989 49.631 15.636 1.00 0.00 H
160
+ ATOM 159 HD11 ILE A 11 6.908 50.861 11.748 1.00 0.00 H
161
+ ATOM 160 HD12 ILE A 11 6.887 52.167 12.644 1.00 0.00 H
162
+ ATOM 161 HD13 ILE A 11 7.528 50.832 13.206 1.00 0.00 H
163
+ ATOM 162 N SER A 12 3.442 50.248 17.337 1.00 0.00 N
164
+ ATOM 163 CA SER A 12 3.244 50.426 18.768 1.00 0.00 C
165
+ ATOM 164 C SER A 12 4.118 49.462 19.555 1.00 0.00 C
166
+ ATOM 165 O SER A 12 4.910 48.717 18.979 1.00 0.00 O
167
+ ATOM 166 CB SER A 12 1.775 50.190 19.123 1.00 0.00 C
168
+ ATOM 167 OG SER A 12 1.405 48.854 18.829 1.00 0.00 O
169
+ ATOM 168 H SER A 12 3.493 49.428 17.082 1.00 0.00 H
170
+ ATOM 169 HA SER A 12 3.493 51.334 19.001 1.00 0.00 H
171
+ ATOM 170 HB2 SER A 12 1.630 50.372 20.065 1.00 0.00 H
172
+ ATOM 171 HB3 SER A 12 1.213 50.805 18.626 1.00 0.00 H
173
+ ATOM 172 HG SER A 12 0.598 48.736 19.029 1.00 0.00 H
174
+ ATOM 173 N ALA A 13 3.967 49.475 20.876 1.00 0.00 N
175
+ ATOM 174 CA ALA A 13 4.748 48.595 21.740 1.00 0.00 C
176
+ ATOM 175 C ALA A 13 3.917 47.475 22.343 1.00 0.00 C
177
+ ATOM 176 O ALA A 13 2.770 47.675 22.744 1.00 0.00 O
178
+ ATOM 177 CB ALA A 13 5.407 49.411 22.853 1.00 0.00 C
179
+ ATOM 178 H ALA A 13 3.416 49.987 21.293 1.00 0.00 H
180
+ ATOM 179 HA ALA A 13 5.426 48.179 21.185 1.00 0.00 H
181
+ ATOM 180 HB1 ALA A 13 5.924 48.822 23.424 1.00 0.00 H
182
+ ATOM 181 HB2 ALA A 13 5.993 50.078 22.462 1.00 0.00 H
183
+ ATOM 182 HB3 ALA A 13 4.722 49.852 23.380 1.00 0.00 H
184
+ ATOM 183 N VAL A 14 4.506 46.289 22.407 1.00 0.00 N
185
+ ATOM 184 CA VAL A 14 3.821 45.136 22.965 1.00 0.00 C
186
+ ATOM 185 C VAL A 14 4.696 44.488 24.036 1.00 0.00 C
187
+ ATOM 186 O VAL A 14 5.926 44.612 24.008 1.00 0.00 O
188
+ ATOM 187 CB VAL A 14 3.504 44.103 21.846 1.00 0.00 C
189
+ ATOM 188 CG1 VAL A 14 4.801 43.560 21.255 1.00 0.00 C
190
+ ATOM 189 CG2 VAL A 14 2.643 42.974 22.393 1.00 0.00 C
191
+ ATOM 190 H VAL A 14 5.305 46.132 22.131 1.00 0.00 H
192
+ ATOM 191 HA VAL A 14 2.987 45.428 23.364 1.00 0.00 H
193
+ ATOM 192 HB VAL A 14 3.006 44.546 21.141 1.00 0.00 H
194
+ ATOM 193 HG11 VAL A 14 4.595 42.917 20.559 1.00 0.00 H
195
+ ATOM 194 HG12 VAL A 14 5.316 44.291 20.878 1.00 0.00 H
196
+ ATOM 195 HG13 VAL A 14 5.318 43.127 21.952 1.00 0.00 H
197
+ ATOM 196 HG21 VAL A 14 2.454 42.339 21.685 1.00 0.00 H
198
+ ATOM 197 HG22 VAL A 14 3.116 42.525 23.112 1.00 0.00 H
199
+ ATOM 198 HG23 VAL A 14 1.810 43.337 22.732 1.00 0.00 H
200
+ ATOM 199 N THR A 15 4.068 43.827 25.004 1.00 0.00 N
201
+ ATOM 200 CA THR A 15 4.831 43.135 26.029 1.00 0.00 C
202
+ ATOM 201 C THR A 15 5.033 41.734 25.464 1.00 0.00 C
203
+ ATOM 202 O THR A 15 4.068 41.042 25.144 1.00 0.00 O
204
+ ATOM 203 CB THR A 15 4.072 43.050 27.367 1.00 0.00 C
205
+ ATOM 204 OG1 THR A 15 3.859 44.371 27.889 1.00 0.00 O
206
+ ATOM 205 CG2 THR A 15 4.878 42.238 28.378 1.00 0.00 C
207
+ ATOM 206 H THR A 15 3.214 43.769 25.083 1.00 0.00 H
208
+ ATOM 207 HA THR A 15 5.659 43.601 26.223 1.00 0.00 H
209
+ ATOM 208 HB THR A 15 3.218 42.616 27.213 1.00 0.00 H
210
+ ATOM 209 HG1 THR A 15 4.560 44.640 28.265 1.00 0.00 H
211
+ ATOM 210 HG21 THR A 15 4.392 42.190 29.216 1.00 0.00 H
212
+ ATOM 211 HG22 THR A 15 5.019 41.342 28.035 1.00 0.00 H
213
+ ATOM 212 HG23 THR A 15 5.736 42.665 28.526 1.00 0.00 H
214
+ ATOM 213 N CYS A 16 6.287 41.322 25.324 1.00 0.00 N
215
+ ATOM 214 CA CYS A 16 6.590 40.015 24.765 1.00 0.00 C
216
+ ATOM 215 C CYS A 16 6.242 38.860 25.700 1.00 0.00 C
217
+ ATOM 216 O CYS A 16 6.227 39.020 26.919 1.00 0.00 O
218
+ ATOM 217 CB CYS A 16 8.066 39.952 24.384 1.00 0.00 C
219
+ ATOM 218 SG CYS A 16 8.565 41.225 23.178 1.00 0.00 S
220
+ ATOM 219 H CYS A 16 6.976 41.785 25.547 1.00 0.00 H
221
+ ATOM 220 HA CYS A 16 6.032 39.909 23.979 1.00 0.00 H
222
+ ATOM 221 HB2 CYS A 16 8.603 40.049 25.186 1.00 0.00 H
223
+ ATOM 222 HB3 CYS A 16 8.260 39.076 24.016 1.00 0.00 H
224
+ ATOM 223 N PRO A 17 5.966 37.677 25.131 1.00 0.00 N
225
+ ATOM 224 CA PRO A 17 5.615 36.472 25.889 1.00 0.00 C
226
+ ATOM 225 C PRO A 17 6.748 36.072 26.826 1.00 0.00 C
227
+ ATOM 226 O PRO A 17 7.907 36.410 26.588 1.00 0.00 O
228
+ ATOM 227 CB PRO A 17 5.408 35.419 24.798 1.00 0.00 C
229
+ ATOM 228 CG PRO A 17 5.046 36.217 23.591 1.00 0.00 C
230
+ ATOM 229 CD PRO A 17 5.979 37.391 23.686 1.00 0.00 C
231
+ ATOM 230 HA PRO A 17 4.836 36.590 26.454 1.00 0.00 H
232
+ ATOM 231 HB2 PRO A 17 6.212 34.897 24.651 1.00 0.00 H
233
+ ATOM 232 HB3 PRO A 17 4.704 34.795 25.035 1.00 0.00 H
234
+ ATOM 233 HG2 PRO A 17 5.180 35.714 22.772 1.00 0.00 H
235
+ ATOM 234 HG3 PRO A 17 4.116 36.493 23.606 1.00 0.00 H
236
+ ATOM 235 HD2 PRO A 17 6.869 37.174 23.367 1.00 0.00 H
237
+ ATOM 236 HD3 PRO A 17 5.667 38.146 23.164 1.00 0.00 H
238
+ ATOM 237 N PRO A 18 6.430 35.341 27.904 1.00 0.00 N
239
+ ATOM 238 CA PRO A 18 7.506 34.936 28.813 1.00 0.00 C
240
+ ATOM 239 C PRO A 18 8.516 34.065 28.060 1.00 0.00 C
241
+ ATOM 240 O PRO A 18 8.136 33.220 27.248 1.00 0.00 O
242
+ ATOM 241 CB PRO A 18 6.761 34.188 29.927 1.00 0.00 C
243
+ ATOM 242 CG PRO A 18 5.495 33.723 29.264 1.00 0.00 C
244
+ ATOM 243 CD PRO A 18 5.117 34.893 28.395 1.00 0.00 C
245
+ ATOM 244 HA PRO A 18 8.031 35.667 29.175 1.00 0.00 H
246
+ ATOM 245 HB2 PRO A 18 7.281 33.442 30.264 1.00 0.00 H
247
+ ATOM 246 HB3 PRO A 18 6.575 34.768 30.682 1.00 0.00 H
248
+ ATOM 247 HG2 PRO A 18 5.638 32.919 28.741 1.00 0.00 H
249
+ ATOM 248 HG3 PRO A 18 4.804 33.520 29.913 1.00 0.00 H
250
+ ATOM 249 HD2 PRO A 18 4.527 34.632 27.670 1.00 0.00 H
251
+ ATOM 250 HD3 PRO A 18 4.660 35.586 28.897 1.00 0.00 H
252
+ ATOM 251 N GLY A 19 9.803 34.284 28.311 1.00 0.00 N
253
+ ATOM 252 CA GLY A 19 10.819 33.510 27.609 1.00 0.00 C
254
+ ATOM 253 C GLY A 19 11.356 34.258 26.404 1.00 0.00 C
255
+ ATOM 254 O GLY A 19 12.416 33.927 25.870 1.00 0.00 O
256
+ ATOM 255 H GLY A 19 10.104 34.863 28.871 1.00 0.00 H
257
+ ATOM 256 HA2 GLY A 19 11.548 33.306 28.216 1.00 0.00 H
258
+ ATOM 257 HA3 GLY A 19 10.442 32.663 27.324 1.00 0.00 H
259
+ ATOM 258 N GLU A 20 10.606 35.260 25.957 1.00 0.00 N
260
+ ATOM 259 CA GLU A 20 11.030 36.078 24.829 1.00 0.00 C
261
+ ATOM 260 C GLU A 20 11.517 37.369 25.456 1.00 0.00 C
262
+ ATOM 261 O GLU A 20 10.735 38.277 25.733 1.00 0.00 O
263
+ ATOM 262 CB GLU A 20 9.863 36.319 23.866 1.00 0.00 C
264
+ ATOM 263 CG GLU A 20 9.521 35.079 23.051 1.00 0.00 C
265
+ ATOM 264 CD GLU A 20 8.514 35.334 21.942 1.00 0.00 C
266
+ ATOM 265 OE1 GLU A 20 8.515 36.441 21.359 1.00 0.00 O
267
+ ATOM 266 OE2 GLU A 20 7.734 34.411 21.635 1.00 0.00 O
268
+ ATOM 267 H GLU A 20 9.847 35.482 26.294 1.00 0.00 H
269
+ ATOM 268 HA GLU A 20 11.723 35.654 24.299 1.00 0.00 H
270
+ ATOM 269 HB2 GLU A 20 9.083 36.598 24.370 1.00 0.00 H
271
+ ATOM 270 HB3 GLU A 20 10.087 37.047 23.265 1.00 0.00 H
272
+ ATOM 271 HG2 GLU A 20 10.335 34.723 22.662 1.00 0.00 H
273
+ ATOM 272 HG3 GLU A 20 9.169 34.398 23.646 1.00 0.00 H
274
+ ATOM 273 N ASN A 21 12.824 37.429 25.696 1.00 0.00 N
275
+ ATOM 274 CA ASN A 21 13.427 38.579 26.352 1.00 0.00 C
276
+ ATOM 275 C ASN A 21 14.251 39.498 25.463 1.00 0.00 C
277
+ ATOM 276 O ASN A 21 15.066 40.276 25.958 1.00 0.00 O
278
+ ATOM 277 CB ASN A 21 14.274 38.087 27.523 1.00 0.00 C
279
+ ATOM 278 CG ASN A 21 13.462 37.275 28.509 1.00 0.00 C
280
+ ATOM 279 OD1 ASN A 21 12.502 37.778 29.089 1.00 0.00 O
281
+ ATOM 280 ND2 ASN A 21 13.832 36.011 28.694 1.00 0.00 N
282
+ ATOM 281 H ASN A 21 13.380 36.808 25.484 1.00 0.00 H
283
+ ATOM 282 HA ASN A 21 12.685 39.132 26.644 1.00 0.00 H
284
+ ATOM 283 HB2 ASN A 21 15.007 37.547 27.187 1.00 0.00 H
285
+ ATOM 284 HB3 ASN A 21 14.668 38.848 27.978 1.00 0.00 H
286
+ ATOM 285 HD21 ASN A 21 13.393 35.510 29.238 1.00 0.00 H
287
+ ATOM 286 HD22 ASN A 21 14.510 35.695 28.270 1.00 0.00 H
288
+ ATOM 287 N LEU A 22 14.026 39.413 24.158 1.00 0.00 N
289
+ ATOM 288 CA LEU A 22 14.736 40.252 23.201 1.00 0.00 C
290
+ ATOM 289 C LEU A 22 13.755 40.928 22.259 1.00 0.00 C
291
+ ATOM 290 O LEU A 22 12.652 40.432 22.034 1.00 0.00 O
292
+ ATOM 291 CB LEU A 22 15.689 39.409 22.344 1.00 0.00 C
293
+ ATOM 292 CG LEU A 22 16.798 38.608 23.025 1.00 0.00 C
294
+ ATOM 293 CD1 LEU A 22 17.453 37.683 22.002 1.00 0.00 C
295
+ ATOM 294 CD2 LEU A 22 17.814 39.546 23.635 1.00 0.00 C
296
+ ATOM 295 H LEU A 22 13.461 38.871 23.803 1.00 0.00 H
297
+ ATOM 296 HA LEU A 22 15.233 40.913 23.708 1.00 0.00 H
298
+ ATOM 297 HB2 LEU A 22 15.148 38.784 21.836 1.00 0.00 H
299
+ ATOM 298 HB3 LEU A 22 16.110 40.005 21.705 1.00 0.00 H
300
+ ATOM 299 HG LEU A 22 16.422 38.068 23.738 1.00 0.00 H
301
+ ATOM 300 HD11 LEU A 22 18.158 37.173 22.431 1.00 0.00 H
302
+ ATOM 301 HD12 LEU A 22 16.788 37.076 21.642 1.00 0.00 H
303
+ ATOM 302 HD13 LEU A 22 17.830 38.212 21.282 1.00 0.00 H
304
+ ATOM 303 HD21 LEU A 22 18.514 39.030 24.065 1.00 0.00 H
305
+ ATOM 304 HD22 LEU A 22 18.202 40.100 22.940 1.00 0.00 H
306
+ ATOM 305 HD23 LEU A 22 17.379 40.111 24.293 1.00 0.00 H
307
+ ATOM 306 N CYS A 23 14.168 42.072 21.723 1.00 0.00 N
308
+ ATOM 307 CA CYS A 23 13.387 42.790 20.731 1.00 0.00 C
309
+ ATOM 308 C CYS A 23 14.230 42.608 19.478 1.00 0.00 C
310
+ ATOM 309 O CYS A 23 15.436 42.378 19.577 1.00 0.00 O
311
+ ATOM 310 CB CYS A 23 13.311 44.286 21.037 1.00 0.00 C
312
+ ATOM 311 SG CYS A 23 12.421 44.738 22.550 1.00 0.00 S
313
+ ATOM 312 H CYS A 23 14.912 42.452 21.927 1.00 0.00 H
314
+ ATOM 313 HA CYS A 23 12.473 42.470 20.679 1.00 0.00 H
315
+ ATOM 314 HB2 CYS A 23 14.215 44.633 21.098 1.00 0.00 H
316
+ ATOM 315 HB3 CYS A 23 12.886 44.731 20.287 1.00 0.00 H
317
+ ATOM 316 N TYR A 24 13.620 42.695 18.306 1.00 0.00 N
318
+ ATOM 317 CA TYR A 24 14.400 42.565 17.091 1.00 0.00 C
319
+ ATOM 318 C TYR A 24 13.913 43.506 16.004 1.00 0.00 C
320
+ ATOM 319 O TYR A 24 12.759 43.950 15.999 1.00 0.00 O
321
+ ATOM 320 CB TYR A 24 14.374 41.117 16.568 1.00 0.00 C
322
+ ATOM 321 CG TYR A 24 13.121 40.742 15.803 1.00 0.00 C
323
+ ATOM 322 CD1 TYR A 24 12.964 41.095 14.456 1.00 0.00 C
324
+ ATOM 323 CD2 TYR A 24 12.082 40.056 16.429 1.00 0.00 C
325
+ ATOM 324 CE1 TYR A 24 11.795 40.774 13.755 1.00 0.00 C
326
+ ATOM 325 CE2 TYR A 24 10.913 39.729 15.740 1.00 0.00 C
327
+ ATOM 326 CZ TYR A 24 10.775 40.092 14.409 1.00 0.00 C
328
+ ATOM 327 OH TYR A 24 9.610 39.787 13.744 1.00 0.00 O
329
+ ATOM 328 H TYR A 24 12.777 42.826 18.194 1.00 0.00 H
330
+ ATOM 329 HA TYR A 24 15.312 42.805 17.318 1.00 0.00 H
331
+ ATOM 330 HB2 TYR A 24 15.143 40.980 15.992 1.00 0.00 H
332
+ ATOM 331 HB3 TYR A 24 14.472 40.513 17.320 1.00 0.00 H
333
+ ATOM 332 HD1 TYR A 24 13.648 41.550 14.020 1.00 0.00 H
334
+ ATOM 333 HD2 TYR A 24 12.169 39.812 17.322 1.00 0.00 H
335
+ ATOM 334 HE1 TYR A 24 11.702 41.014 12.861 1.00 0.00 H
336
+ ATOM 335 HE2 TYR A 24 10.229 39.270 16.172 1.00 0.00 H
337
+ ATOM 336 HH TYR A 24 9.654 40.073 12.955 1.00 0.00 H
338
+ ATOM 337 N ARG A 25 14.831 43.833 15.106 1.00 0.00 N
339
+ ATOM 338 CA ARG A 25 14.528 44.655 13.948 1.00 0.00 C
340
+ ATOM 339 C ARG A 25 15.173 43.923 12.786 1.00 0.00 C
341
+ ATOM 340 O ARG A 25 16.366 43.609 12.818 1.00 0.00 O
342
+ ATOM 341 CB ARG A 25 15.117 46.061 14.060 1.00 0.00 C
343
+ ATOM 342 CG ARG A 25 14.894 46.887 12.794 1.00 0.00 C
344
+ ATOM 343 CD ARG A 25 15.236 48.357 12.986 1.00 0.00 C
345
+ ATOM 344 NE ARG A 25 16.639 48.541 13.337 1.00 0.00 N
346
+ ATOM 345 CZ ARG A 25 17.064 49.123 14.455 1.00 0.00 C
347
+ ATOM 346 NH1 ARG A 25 16.194 49.592 15.343 1.00 0.00 N
348
+ ATOM 347 NH2 ARG A 25 18.366 49.216 14.696 1.00 0.00 N
349
+ ATOM 348 H ARG A 25 15.652 43.582 15.153 1.00 0.00 H
350
+ ATOM 349 HA ARG A 25 13.571 44.776 13.849 1.00 0.00 H
351
+ ATOM 350 HB2 ARG A 25 14.716 46.518 14.816 1.00 0.00 H
352
+ ATOM 351 HB3 ARG A 25 16.068 45.997 14.239 1.00 0.00 H
353
+ ATOM 352 HG2 ARG A 25 15.435 46.524 12.076 1.00 0.00 H
354
+ ATOM 353 HG3 ARG A 25 13.967 46.807 12.519 1.00 0.00 H
355
+ ATOM 354 HD2 ARG A 25 15.039 48.845 12.171 1.00 0.00 H
356
+ ATOM 355 HD3 ARG A 25 14.676 48.732 13.683 1.00 0.00 H
357
+ ATOM 356 HE ARG A 25 17.232 48.254 12.784 1.00 0.00 H
358
+ ATOM 357 HH11 ARG A 25 15.350 49.520 15.197 1.00 0.00 H
359
+ ATOM 358 HH12 ARG A 25 16.475 49.967 16.064 1.00 0.00 H
360
+ ATOM 359 HH21 ARG A 25 18.932 48.901 14.130 1.00 0.00 H
361
+ ATOM 360 HH22 ARG A 25 18.644 49.592 15.418 1.00 0.00 H
362
+ ATOM 361 N LYS A 26 14.371 43.635 11.774 1.00 0.00 N
363
+ ATOM 362 CA LYS A 26 14.850 42.944 10.595 1.00 0.00 C
364
+ ATOM 363 C LYS A 26 14.604 43.857 9.407 1.00 0.00 C
365
+ ATOM 364 O LYS A 26 13.516 44.411 9.250 1.00 0.00 O
366
+ ATOM 365 CB LYS A 26 14.093 41.630 10.416 1.00 0.00 C
367
+ ATOM 366 CG LYS A 26 14.704 40.691 9.393 1.00 0.00 C
368
+ ATOM 367 CD LYS A 26 13.896 39.397 9.290 1.00 0.00 C
369
+ ATOM 368 CE LYS A 26 13.693 38.755 10.659 1.00 0.00 C
370
+ ATOM 369 NZ LYS A 26 12.880 37.501 10.592 1.00 0.00 N
371
+ ATOM 370 H LYS A 26 13.535 43.835 11.753 1.00 0.00 H
372
+ ATOM 371 HA LYS A 26 15.794 42.736 10.677 1.00 0.00 H
373
+ ATOM 372 HB2 LYS A 26 14.049 41.175 11.272 1.00 0.00 H
374
+ ATOM 373 HB3 LYS A 26 13.180 41.828 10.153 1.00 0.00 H
375
+ ATOM 374 HG2 LYS A 26 14.736 41.127 8.527 1.00 0.00 H
376
+ ATOM 375 HG3 LYS A 26 15.619 40.487 9.642 1.00 0.00 H
377
+ ATOM 376 HD2 LYS A 26 13.033 39.584 8.888 1.00 0.00 H
378
+ ATOM 377 HD3 LYS A 26 14.353 38.774 8.704 1.00 0.00 H
379
+ ATOM 378 HE2 LYS A 26 14.558 38.555 11.050 1.00 0.00 H
380
+ ATOM 379 HE3 LYS A 26 13.255 39.389 11.248 1.00 0.00 H
381
+ ATOM 380 HZ1 LYS A 26 12.352 37.451 11.307 1.00 0.00 H
382
+ ATOM 381 HZ2 LYS A 26 12.381 37.509 9.855 1.00 0.00 H
383
+ ATOM 382 HZ3 LYS A 26 13.423 36.796 10.574 1.00 0.00 H
384
+ ATOM 383 N MET A 27 15.622 44.028 8.577 1.00 0.00 N
385
+ ATOM 384 CA MET A 27 15.491 44.883 7.410 1.00 0.00 C
386
+ ATOM 385 C MET A 27 16.077 44.226 6.176 1.00 0.00 C
387
+ ATOM 386 O MET A 27 17.106 43.547 6.245 1.00 0.00 O
388
+ ATOM 387 CB MET A 27 16.181 46.225 7.668 1.00 0.00 C
389
+ ATOM 388 CG MET A 27 15.498 47.063 8.751 1.00 0.00 C
390
+ ATOM 389 SD MET A 27 16.375 48.592 9.113 1.00 0.00 S
391
+ ATOM 390 CE MET A 27 15.968 49.574 7.665 1.00 0.00 C
392
+ ATOM 391 H MET A 27 16.394 43.660 8.671 1.00 0.00 H
393
+ ATOM 392 HA MET A 27 14.546 45.031 7.249 1.00 0.00 H
394
+ ATOM 393 HB2 MET A 27 17.102 46.063 7.927 1.00 0.00 H
395
+ ATOM 394 HB3 MET A 27 16.204 46.733 6.842 1.00 0.00 H
396
+ ATOM 395 HG2 MET A 27 14.594 47.273 8.468 1.00 0.00 H
397
+ ATOM 396 HG3 MET A 27 15.426 46.537 9.563 1.00 0.00 H
398
+ ATOM 397 HE1 MET A 27 16.389 50.445 7.736 1.00 0.00 H
399
+ ATOM 398 HE2 MET A 27 16.289 49.124 6.868 1.00 0.00 H
400
+ ATOM 399 HE3 MET A 27 15.006 49.684 7.609 1.00 0.00 H
401
+ ATOM 400 N TRP A 28 15.416 44.431 5.043 1.00 0.00 N
402
+ ATOM 401 CA TRP A 28 15.885 43.861 3.794 1.00 0.00 C
403
+ ATOM 402 C TRP A 28 15.302 44.627 2.620 1.00 0.00 C
404
+ ATOM 403 O TRP A 28 14.297 45.331 2.746 1.00 0.00 O
405
+ ATOM 404 CB TRP A 28 15.493 42.382 3.706 1.00 0.00 C
406
+ ATOM 405 CG TRP A 28 14.020 42.144 3.551 1.00 0.00 C
407
+ ATOM 406 CD1 TRP A 28 13.315 42.065 2.377 1.00 0.00 C
408
+ ATOM 407 CD2 TRP A 28 13.070 41.949 4.601 1.00 0.00 C
409
+ ATOM 408 NE1 TRP A 28 11.988 41.829 2.636 1.00 0.00 N
410
+ ATOM 409 CE2 TRP A 28 11.808 41.752 3.993 1.00 0.00 C
411
+ ATOM 410 CE3 TRP A 28 13.160 41.920 6.000 1.00 0.00 C
412
+ ATOM 411 CZ2 TRP A 28 10.646 41.528 4.735 1.00 0.00 C
413
+ ATOM 412 CZ3 TRP A 28 12.001 41.697 6.739 1.00 0.00 C
414
+ ATOM 413 CH2 TRP A 28 10.760 41.503 6.102 1.00 0.00 C
415
+ ATOM 414 H TRP A 28 14.696 44.896 4.979 1.00 0.00 H
416
+ ATOM 415 HA TRP A 28 16.852 43.929 3.764 1.00 0.00 H
417
+ ATOM 416 HB2 TRP A 28 15.956 41.979 2.955 1.00 0.00 H
418
+ ATOM 417 HB3 TRP A 28 15.801 41.928 4.506 1.00 0.00 H
419
+ ATOM 418 HD1 TRP A 28 13.683 42.158 1.528 1.00 0.00 H
420
+ ATOM 419 HE1 TRP A 28 11.370 41.743 2.044 1.00 0.00 H
421
+ ATOM 420 HE3 TRP A 28 13.977 42.047 6.426 1.00 0.00 H
422
+ ATOM 421 HZ2 TRP A 28 9.825 41.400 4.318 1.00 0.00 H
423
+ ATOM 422 HZ3 TRP A 28 12.047 41.676 7.668 1.00 0.00 H
424
+ ATOM 423 HH2 TRP A 28 10.001 41.355 6.619 1.00 0.00 H
425
+ ATOM 424 N CYS A 29 15.948 44.475 1.475 1.00 0.00 N
426
+ ATOM 425 CA CYS A 29 15.524 45.139 0.259 1.00 0.00 C
427
+ ATOM 426 C CYS A 29 14.492 44.360 -0.547 1.00 0.00 C
428
+ ATOM 427 O CYS A 29 14.603 43.141 -0.700 1.00 0.00 O
429
+ ATOM 428 CB CYS A 29 16.724 45.342 -0.658 1.00 0.00 C
430
+ ATOM 429 SG CYS A 29 17.742 46.834 -0.471 1.00 0.00 S
431
+ ATOM 430 H CYS A 29 16.647 43.982 1.383 1.00 0.00 H
432
+ ATOM 431 HA CYS A 29 15.122 45.973 0.550 1.00 0.00 H
433
+ ATOM 432 HB2 CYS A 29 17.308 44.575 -0.549 1.00 0.00 H
434
+ ATOM 433 HB3 CYS A 29 16.399 45.323 -1.572 1.00 0.00 H
435
+ ATOM 434 N ASP A 30 13.483 45.062 -1.051 1.00 0.00 N
436
+ ATOM 435 CA ASP A 30 12.535 44.432 -1.955 1.00 0.00 C
437
+ ATOM 436 C ASP A 30 12.700 45.290 -3.220 1.00 0.00 C
438
+ ATOM 437 O ASP A 30 13.682 46.025 -3.331 1.00 0.00 O
439
+ ATOM 438 CB ASP A 30 11.097 44.398 -1.396 1.00 0.00 C
440
+ ATOM 439 CG ASP A 30 10.417 45.749 -1.359 1.00 0.00 C
441
+ ATOM 440 OD1 ASP A 30 11.031 46.772 -1.713 1.00 0.00 O
442
+ ATOM 441 OD2 ASP A 30 9.231 45.769 -0.959 1.00 0.00 O
443
+ ATOM 442 H ASP A 30 13.332 45.892 -0.884 1.00 0.00 H
444
+ ATOM 443 HA ASP A 30 12.703 43.490 -2.112 1.00 0.00 H
445
+ ATOM 444 HB2 ASP A 30 10.565 43.793 -1.936 1.00 0.00 H
446
+ ATOM 445 HB3 ASP A 30 11.118 44.032 -0.498 1.00 0.00 H
447
+ ATOM 446 N VAL A 31 11.766 45.207 -4.159 1.00 0.00 N
448
+ ATOM 447 CA VAL A 31 11.877 45.971 -5.401 1.00 0.00 C
449
+ ATOM 448 C VAL A 31 11.979 47.483 -5.211 1.00 0.00 C
450
+ ATOM 449 O VAL A 31 12.618 48.172 -6.010 1.00 0.00 O
451
+ ATOM 450 CB VAL A 31 10.681 45.685 -6.328 1.00 0.00 C
452
+ ATOM 451 CG1 VAL A 31 9.347 45.987 -5.631 1.00 0.00 C
453
+ ATOM 452 CG2 VAL A 31 10.777 46.386 -7.641 1.00 0.00 C
454
+ ATOM 453 H VAL A 31 11.062 44.717 -4.100 1.00 0.00 H
455
+ ATOM 454 HA VAL A 31 12.711 45.672 -5.796 1.00 0.00 H
456
+ ATOM 455 HB VAL A 31 10.712 44.735 -6.524 1.00 0.00 H
457
+ ATOM 456 HG11 VAL A 31 8.614 45.798 -6.238 1.00 0.00 H
458
+ ATOM 457 HG12 VAL A 31 9.262 45.432 -4.840 1.00 0.00 H
459
+ ATOM 458 HG13 VAL A 31 9.320 46.922 -5.374 1.00 0.00 H
460
+ ATOM 459 HG21 VAL A 31 10.001 46.170 -8.181 1.00 0.00 H
461
+ ATOM 460 HG22 VAL A 31 10.812 47.344 -7.495 1.00 0.00 H
462
+ ATOM 461 HG23 VAL A 31 11.581 46.100 -8.103 1.00 0.00 H
463
+ ATOM 462 N PHE A 32 11.346 47.997 -4.160 1.00 0.00 N
464
+ ATOM 463 CA PHE A 32 11.356 49.436 -3.897 1.00 0.00 C
465
+ ATOM 464 C PHE A 32 12.531 49.962 -3.071 1.00 0.00 C
466
+ ATOM 465 O PHE A 32 12.499 51.110 -2.642 1.00 0.00 O
467
+ ATOM 466 CB PHE A 32 10.073 49.864 -3.169 1.00 0.00 C
468
+ ATOM 467 CG PHE A 32 8.799 49.440 -3.844 1.00 0.00 C
469
+ ATOM 468 CD1 PHE A 32 8.152 48.265 -3.462 1.00 0.00 C
470
+ ATOM 469 CD2 PHE A 32 8.226 50.230 -4.836 1.00 0.00 C
471
+ ATOM 470 CE1 PHE A 32 6.948 47.884 -4.057 1.00 0.00 C
472
+ ATOM 471 CE2 PHE A 32 7.021 49.860 -5.440 1.00 0.00 C
473
+ ATOM 472 CZ PHE A 32 6.381 48.684 -5.049 1.00 0.00 C
474
+ ATOM 473 H PHE A 32 10.905 47.531 -3.587 1.00 0.00 H
475
+ ATOM 474 HA PHE A 32 11.435 49.820 -4.784 1.00 0.00 H
476
+ ATOM 475 HB2 PHE A 32 10.087 49.497 -2.271 1.00 0.00 H
477
+ ATOM 476 HB3 PHE A 32 10.072 50.830 -3.081 1.00 0.00 H
478
+ ATOM 477 HD1 PHE A 32 8.528 47.728 -2.802 1.00 0.00 H
479
+ ATOM 478 HD2 PHE A 32 8.650 51.014 -5.100 1.00 0.00 H
480
+ ATOM 479 HE1 PHE A 32 6.525 47.099 -3.793 1.00 0.00 H
481
+ ATOM 480 HE2 PHE A 32 6.647 50.397 -6.101 1.00 0.00 H
482
+ ATOM 481 HZ PHE A 32 5.579 48.434 -5.448 1.00 0.00 H
483
+ ATOM 482 N CYS A 33 13.567 49.160 -2.852 1.00 0.00 N
484
+ ATOM 483 CA CYS A 33 14.677 49.626 -2.022 1.00 0.00 C
485
+ ATOM 484 C CYS A 33 15.292 50.945 -2.442 1.00 0.00 C
486
+ ATOM 485 O CYS A 33 15.602 51.781 -1.596 1.00 0.00 O
487
+ ATOM 486 CB CYS A 33 15.798 48.596 -1.951 1.00 0.00 C
488
+ ATOM 487 SG CYS A 33 16.408 48.351 -0.249 1.00 0.00 S
489
+ ATOM 488 H CYS A 33 13.649 48.363 -3.164 1.00 0.00 H
490
+ ATOM 489 HA CYS A 33 14.262 49.760 -1.156 1.00 0.00 H
491
+ ATOM 490 HB2 CYS A 33 15.480 47.750 -2.303 1.00 0.00 H
492
+ ATOM 491 HB3 CYS A 33 16.532 48.881 -2.517 1.00 0.00 H
493
+ ATOM 492 N SER A 34 15.477 51.126 -3.745 1.00 0.00 N
494
+ ATOM 493 CA SER A 34 16.097 52.342 -4.258 1.00 0.00 C
495
+ ATOM 494 C SER A 34 15.368 53.628 -3.893 1.00 0.00 C
496
+ ATOM 495 O SER A 34 16.006 54.660 -3.685 1.00 0.00 O
497
+ ATOM 496 CB SER A 34 16.250 52.258 -5.782 1.00 0.00 C
498
+ ATOM 497 OG SER A 34 14.991 52.102 -6.415 1.00 0.00 O
499
+ ATOM 498 H SER A 34 15.251 50.557 -4.349 1.00 0.00 H
500
+ ATOM 499 HA SER A 34 16.964 52.390 -3.825 1.00 0.00 H
501
+ ATOM 500 HB2 SER A 34 16.683 53.061 -6.111 1.00 0.00 H
502
+ ATOM 501 HB3 SER A 34 16.825 51.511 -6.011 1.00 0.00 H
503
+ ATOM 502 HG SER A 34 14.657 51.363 -6.196 1.00 0.00 H
504
+ ATOM 503 N SER A 35 14.042 53.573 -3.802 1.00 0.00 N
505
+ ATOM 504 CA SER A 35 13.266 54.767 -3.484 1.00 0.00 C
506
+ ATOM 505 C SER A 35 12.737 54.856 -2.053 1.00 0.00 C
507
+ ATOM 506 O SER A 35 12.732 55.935 -1.458 1.00 0.00 O
508
+ ATOM 507 CB SER A 35 12.088 54.894 -4.453 1.00 0.00 C
509
+ ATOM 508 OG SER A 35 11.180 53.817 -4.297 1.00 0.00 O
510
+ ATOM 509 H SER A 35 13.576 52.860 -3.920 1.00 0.00 H
511
+ ATOM 510 HA SER A 35 13.897 55.498 -3.576 1.00 0.00 H
512
+ ATOM 511 HB2 SER A 35 11.628 55.734 -4.299 1.00 0.00 H
513
+ ATOM 512 HB3 SER A 35 12.417 54.914 -5.365 1.00 0.00 H
514
+ ATOM 513 HG SER A 35 11.567 53.178 -3.913 1.00 0.00 H
515
+ ATOM 514 N ARG A 36 12.294 53.729 -1.504 1.00 0.00 N
516
+ ATOM 515 CA ARG A 36 11.731 53.706 -0.157 1.00 0.00 C
517
+ ATOM 516 C ARG A 36 12.681 53.218 0.924 1.00 0.00 C
518
+ ATOM 517 O ARG A 36 12.378 53.327 2.111 1.00 0.00 O
519
+ ATOM 518 CB ARG A 36 10.495 52.813 -0.122 1.00 0.00 C
520
+ ATOM 519 CG ARG A 36 9.432 53.139 -1.144 1.00 0.00 C
521
+ ATOM 520 CD ARG A 36 8.320 52.113 -1.041 1.00 0.00 C
522
+ ATOM 521 NE ARG A 36 7.276 52.300 -2.043 1.00 0.00 N
523
+ ATOM 522 CZ ARG A 36 6.237 51.483 -2.187 1.00 0.00 C
524
+ ATOM 523 NH1 ARG A 36 6.108 50.427 -1.392 1.00 0.00 N
525
+ ATOM 524 NH2 ARG A 36 5.325 51.719 -3.120 1.00 0.00 N
526
+ ATOM 525 H ARG A 36 12.311 52.964 -1.896 1.00 0.00 H
527
+ ATOM 526 HA ARG A 36 11.523 54.633 0.039 1.00 0.00 H
528
+ ATOM 527 HB2 ARG A 36 10.775 51.893 -0.251 1.00 0.00 H
529
+ ATOM 528 HB3 ARG A 36 10.100 52.868 0.762 1.00 0.00 H
530
+ ATOM 529 HG2 ARG A 36 9.081 54.030 -0.991 1.00 0.00 H
531
+ ATOM 530 HG3 ARG A 36 9.812 53.133 -2.037 1.00 0.00 H
532
+ ATOM 531 HD2 ARG A 36 8.697 51.224 -1.136 1.00 0.00 H
533
+ ATOM 532 HD3 ARG A 36 7.924 52.160 -0.157 1.00 0.00 H
534
+ ATOM 533 HE ARG A 36 7.336 52.977 -2.570 1.00 0.00 H
535
+ ATOM 534 HH11 ARG A 36 6.696 50.272 -0.784 1.00 0.00 H
536
+ ATOM 535 HH12 ARG A 36 5.436 49.898 -1.485 1.00 0.00 H
537
+ ATOM 536 HH21 ARG A 36 5.404 52.403 -3.635 1.00 0.00 H
538
+ ATOM 537 HH22 ARG A 36 4.654 51.188 -3.210 1.00 0.00 H
539
+ ATOM 538 N GLY A 37 13.822 52.673 0.523 1.00 0.00 N
540
+ ATOM 539 CA GLY A 37 14.746 52.149 1.505 1.00 0.00 C
541
+ ATOM 540 C GLY A 37 14.316 50.728 1.812 1.00 0.00 C
542
+ ATOM 541 O GLY A 37 13.405 50.199 1.171 1.00 0.00 O
543
+ ATOM 542 H GLY A 37 14.073 52.599 -0.296 1.00 0.00 H
544
+ ATOM 543 HA2 GLY A 37 15.654 52.166 1.164 1.00 0.00 H
545
+ ATOM 544 HA3 GLY A 37 14.735 52.691 2.309 1.00 0.00 H
546
+ ATOM 545 N LYS A 38 14.945 50.113 2.806 1.00 0.00 N
547
+ ATOM 546 CA LYS A 38 14.639 48.737 3.168 1.00 0.00 C
548
+ ATOM 547 C LYS A 38 13.332 48.511 3.924 1.00 0.00 C
549
+ ATOM 548 O LYS A 38 12.838 49.397 4.626 1.00 0.00 O
550
+ ATOM 549 CB LYS A 38 15.787 48.153 3.993 1.00 0.00 C
551
+ ATOM 550 CG LYS A 38 17.090 48.039 3.214 1.00 0.00 C
552
+ ATOM 551 CD LYS A 38 18.212 47.439 4.039 1.00 0.00 C
553
+ ATOM 552 CE LYS A 38 19.494 47.402 3.205 1.00 0.00 C
554
+ ATOM 553 NZ LYS A 38 20.615 46.722 3.897 1.00 0.00 N
555
+ ATOM 554 H LYS A 38 15.557 50.479 3.286 1.00 0.00 H
556
+ ATOM 555 HA LYS A 38 14.526 48.287 2.316 1.00 0.00 H
557
+ ATOM 556 HB2 LYS A 38 15.932 48.710 4.774 1.00 0.00 H
558
+ ATOM 557 HB3 LYS A 38 15.532 47.274 4.315 1.00 0.00 H
559
+ ATOM 558 HG2 LYS A 38 16.945 47.493 2.426 1.00 0.00 H
560
+ ATOM 559 HG3 LYS A 38 17.356 48.919 2.904 1.00 0.00 H
561
+ ATOM 560 HD2 LYS A 38 18.352 47.964 4.842 1.00 0.00 H
562
+ ATOM 561 HD3 LYS A 38 17.974 46.543 4.324 1.00 0.00 H
563
+ ATOM 562 HE2 LYS A 38 19.315 46.949 2.366 1.00 0.00 H
564
+ ATOM 563 HE3 LYS A 38 19.758 48.309 2.986 1.00 0.00 H
565
+ ATOM 564 HZ1 LYS A 38 21.195 46.417 3.295 1.00 0.00 H
566
+ ATOM 565 HZ2 LYS A 38 21.025 47.299 4.437 1.00 0.00 H
567
+ ATOM 566 HZ3 LYS A 38 20.299 46.041 4.376 1.00 0.00 H
568
+ ATOM 567 N VAL A 39 12.784 47.310 3.754 1.00 0.00 N
569
+ ATOM 568 CA VAL A 39 11.569 46.896 4.449 1.00 0.00 C
570
+ ATOM 569 C VAL A 39 11.975 46.819 5.917 1.00 0.00 C
571
+ ATOM 570 O VAL A 39 13.120 46.475 6.229 1.00 0.00 O
572
+ ATOM 571 CB VAL A 39 11.094 45.488 3.985 1.00 0.00 C
573
+ ATOM 572 CG1 VAL A 39 9.887 45.030 4.816 1.00 0.00 C
574
+ ATOM 573 CG2 VAL A 39 10.734 45.525 2.506 1.00 0.00 C
575
+ ATOM 574 H VAL A 39 13.108 46.710 3.230 1.00 0.00 H
576
+ ATOM 575 HA VAL A 39 10.840 47.512 4.276 1.00 0.00 H
577
+ ATOM 576 HB VAL A 39 11.816 44.854 4.118 1.00 0.00 H
578
+ ATOM 577 HG11 VAL A 39 9.602 44.153 4.517 1.00 0.00 H
579
+ ATOM 578 HG12 VAL A 39 10.136 44.986 5.752 1.00 0.00 H
580
+ ATOM 579 HG13 VAL A 39 9.159 45.661 4.705 1.00 0.00 H
581
+ ATOM 580 HG21 VAL A 39 10.439 44.646 2.222 1.00 0.00 H
582
+ ATOM 581 HG22 VAL A 39 10.021 46.167 2.362 1.00 0.00 H
583
+ ATOM 582 HG23 VAL A 39 11.512 45.786 1.990 1.00 0.00 H
584
+ ATOM 583 N VAL A 40 11.048 47.151 6.810 1.00 0.00 N
585
+ ATOM 584 CA VAL A 40 11.313 47.131 8.244 1.00 0.00 C
586
+ ATOM 585 C VAL A 40 10.328 46.239 8.979 1.00 0.00 C
587
+ ATOM 586 O VAL A 40 9.109 46.385 8.842 1.00 0.00 O
588
+ ATOM 587 CB VAL A 40 11.220 48.555 8.870 1.00 0.00 C
589
+ ATOM 588 CG1 VAL A 40 11.425 48.481 10.395 1.00 0.00 C
590
+ ATOM 589 CG2 VAL A 40 12.267 49.477 8.244 1.00 0.00 C
591
+ ATOM 590 H VAL A 40 10.250 47.394 6.602 1.00 0.00 H
592
+ ATOM 591 HA VAL A 40 12.214 46.787 8.343 1.00 0.00 H
593
+ ATOM 592 HB VAL A 40 10.338 48.916 8.690 1.00 0.00 H
594
+ ATOM 593 HG11 VAL A 40 11.365 49.372 10.773 1.00 0.00 H
595
+ ATOM 594 HG12 VAL A 40 10.740 47.917 10.787 1.00 0.00 H
596
+ ATOM 595 HG13 VAL A 40 12.299 48.107 10.586 1.00 0.00 H
597
+ ATOM 596 HG21 VAL A 40 12.200 50.360 8.641 1.00 0.00 H
598
+ ATOM 597 HG22 VAL A 40 13.153 49.117 8.405 1.00 0.00 H
599
+ ATOM 598 HG23 VAL A 40 12.113 49.540 7.288 1.00 0.00 H
600
+ ATOM 599 N GLU A 41 10.867 45.306 9.753 1.00 0.00 N
601
+ ATOM 600 CA GLU A 41 10.047 44.407 10.553 1.00 0.00 C
602
+ ATOM 601 C GLU A 41 10.555 44.519 11.988 1.00 0.00 C
603
+ ATOM 602 O GLU A 41 11.764 44.472 12.231 1.00 0.00 O
604
+ ATOM 603 CB GLU A 41 10.177 42.966 10.057 1.00 0.00 C
605
+ ATOM 604 CG GLU A 41 9.387 41.964 10.889 1.00 0.00 C
606
+ ATOM 605 CD GLU A 41 9.493 40.555 10.346 1.00 0.00 C
607
+ ATOM 606 OE1 GLU A 41 9.164 40.357 9.157 1.00 0.00 O
608
+ ATOM 607 OE2 GLU A 41 9.903 39.649 11.105 1.00 0.00 O
609
+ ATOM 608 H GLU A 41 11.714 45.176 9.829 1.00 0.00 H
610
+ ATOM 609 HA GLU A 41 9.109 44.647 10.489 1.00 0.00 H
611
+ ATOM 610 HB2 GLU A 41 9.876 42.920 9.136 1.00 0.00 H
612
+ ATOM 611 HB3 GLU A 41 11.113 42.713 10.062 1.00 0.00 H
613
+ ATOM 612 HG2 GLU A 41 9.710 41.981 11.804 1.00 0.00 H
614
+ ATOM 613 HG3 GLU A 41 8.454 42.230 10.912 1.00 0.00 H
615
+ ATOM 614 N LEU A 42 9.629 44.673 12.927 1.00 0.00 N
616
+ ATOM 615 CA LEU A 42 9.973 44.818 14.340 1.00 0.00 C
617
+ ATOM 616 C LEU A 42 9.138 43.867 15.173 1.00 0.00 C
618
+ ATOM 617 O LEU A 42 7.933 43.750 14.952 1.00 0.00 O
619
+ ATOM 618 CB LEU A 42 9.680 46.244 14.801 1.00 0.00 C
620
+ ATOM 619 CG LEU A 42 10.254 47.392 13.970 1.00 0.00 C
621
+ ATOM 620 CD1 LEU A 42 9.696 48.712 14.497 1.00 0.00 C
622
+ ATOM 621 CD2 LEU A 42 11.777 47.374 14.046 1.00 0.00 C
623
+ ATOM 622 H LEU A 42 8.785 44.697 12.766 1.00 0.00 H
624
+ ATOM 623 HA LEU A 42 10.916 44.619 14.451 1.00 0.00 H
625
+ ATOM 624 HB2 LEU A 42 8.717 46.354 14.837 1.00 0.00 H
626
+ ATOM 625 HB3 LEU A 42 10.010 46.338 15.708 1.00 0.00 H
627
+ ATOM 626 HG LEU A 42 9.998 47.291 13.040 1.00 0.00 H
628
+ ATOM 627 HD11 LEU A 42 10.055 49.447 13.975 1.00 0.00 H
629
+ ATOM 628 HD12 LEU A 42 8.729 48.707 14.424 1.00 0.00 H
630
+ ATOM 629 HD13 LEU A 42 9.949 48.822 15.427 1.00 0.00 H
631
+ ATOM 630 HD21 LEU A 42 12.136 48.104 13.517 1.00 0.00 H
632
+ ATOM 631 HD22 LEU A 42 12.056 47.476 14.969 1.00 0.00 H
633
+ ATOM 632 HD23 LEU A 42 12.109 46.531 13.700 1.00 0.00 H
634
+ ATOM 633 N GLY A 43 9.764 43.197 16.134 1.00 0.00 N
635
+ ATOM 634 CA GLY A 43 9.005 42.278 16.961 1.00 0.00 C
636
+ ATOM 635 C GLY A 43 9.704 41.747 18.195 1.00 0.00 C
637
+ ATOM 636 O GLY A 43 10.690 42.315 18.674 1.00 0.00 O
638
+ ATOM 637 H GLY A 43 10.602 43.258 16.318 1.00 0.00 H
639
+ ATOM 638 HA2 GLY A 43 8.190 42.723 17.241 1.00 0.00 H
640
+ ATOM 639 HA3 GLY A 43 8.741 41.523 16.413 1.00 0.00 H
641
+ ATOM 640 N CYS A 44 9.167 40.637 18.695 1.00 0.00 N
642
+ ATOM 641 CA CYS A 44 9.664 39.946 19.880 1.00 0.00 C
643
+ ATOM 642 C CYS A 44 10.444 38.700 19.486 1.00 0.00 C
644
+ ATOM 643 O CYS A 44 10.233 38.145 18.411 1.00 0.00 O
645
+ ATOM 644 CB CYS A 44 8.494 39.483 20.741 1.00 0.00 C
646
+ ATOM 645 SG CYS A 44 7.485 40.770 21.523 1.00 0.00 S
647
+ ATOM 646 H CYS A 44 8.482 40.254 18.342 1.00 0.00 H
648
+ ATOM 647 HA CYS A 44 10.233 40.566 20.364 1.00 0.00 H
649
+ ATOM 648 HB2 CYS A 44 7.912 38.937 20.190 1.00 0.00 H
650
+ ATOM 649 HB3 CYS A 44 8.843 38.908 21.440 1.00 0.00 H
651
+ ATOM 650 N ALA A 45 11.319 38.238 20.374 1.00 0.00 N
652
+ ATOM 651 CA ALA A 45 12.091 37.032 20.103 1.00 0.00 C
653
+ ATOM 652 C ALA A 45 12.678 36.409 21.365 1.00 0.00 C
654
+ ATOM 653 O ALA A 45 12.973 37.103 22.338 1.00 0.00 O
655
+ ATOM 654 CB ALA A 45 13.216 37.342 19.103 1.00 0.00 C
656
+ ATOM 655 H ALA A 45 11.479 38.606 21.135 1.00 0.00 H
657
+ ATOM 656 HA ALA A 45 11.477 36.383 19.724 1.00 0.00 H
658
+ ATOM 657 HB1 ALA A 45 13.725 36.535 18.928 1.00 0.00 H
659
+ ATOM 658 HB2 ALA A 45 12.832 37.668 18.274 1.00 0.00 H
660
+ ATOM 659 HB3 ALA A 45 13.802 38.019 19.475 1.00 0.00 H
661
+ ATOM 660 N ALA A 46 12.826 35.089 21.349 1.00 0.00 N
662
+ ATOM 661 CA ALA A 46 13.423 34.369 22.470 1.00 0.00 C
663
+ ATOM 662 C ALA A 46 14.894 34.228 22.079 1.00 0.00 C
664
+ ATOM 663 O ALA A 46 15.797 34.435 22.891 1.00 0.00 O
665
+ ATOM 664 CB ALA A 46 12.782 32.994 22.624 1.00 0.00 C
666
+ ATOM 665 H ALA A 46 12.585 34.587 20.693 1.00 0.00 H
667
+ ATOM 666 HA ALA A 46 13.301 34.828 23.316 1.00 0.00 H
668
+ ATOM 667 HB1 ALA A 46 13.189 32.529 23.372 1.00 0.00 H
669
+ ATOM 668 HB2 ALA A 46 11.831 33.096 22.786 1.00 0.00 H
670
+ ATOM 669 HB3 ALA A 46 12.918 32.481 21.812 1.00 0.00 H
671
+ ATOM 670 N THR A 47 15.108 33.881 20.814 1.00 0.00 N
672
+ ATOM 671 CA THR A 47 16.441 33.726 20.241 1.00 0.00 C
673
+ ATOM 672 C THR A 47 16.509 34.690 19.062 1.00 0.00 C
674
+ ATOM 673 O THR A 47 15.569 34.778 18.272 1.00 0.00 O
675
+ ATOM 674 CB THR A 47 16.669 32.296 19.700 1.00 0.00 C
676
+ ATOM 675 OG1 THR A 47 16.496 31.345 20.757 1.00 0.00 O
677
+ ATOM 676 CG2 THR A 47 18.077 32.161 19.131 1.00 0.00 C
678
+ ATOM 677 H THR A 47 14.473 33.726 20.255 1.00 0.00 H
679
+ ATOM 678 HA THR A 47 17.112 33.899 20.920 1.00 0.00 H
680
+ ATOM 679 HB THR A 47 16.024 32.126 18.996 1.00 0.00 H
681
+ ATOM 680 HG1 THR A 47 16.087 30.672 20.464 1.00 0.00 H
682
+ ATOM 681 HG21 THR A 47 18.206 31.260 18.796 1.00 0.00 H
683
+ ATOM 682 HG22 THR A 47 18.196 32.795 18.407 1.00 0.00 H
684
+ ATOM 683 HG23 THR A 47 18.727 32.342 19.828 1.00 0.00 H
685
+ ATOM 684 N CYS A 48 17.628 35.391 18.935 1.00 0.00 N
686
+ ATOM 685 CA CYS A 48 17.815 36.337 17.842 1.00 0.00 C
687
+ ATOM 686 C CYS A 48 17.671 35.643 16.487 1.00 0.00 C
688
+ ATOM 687 O CYS A 48 18.269 34.594 16.259 1.00 0.00 O
689
+ ATOM 688 CB CYS A 48 19.207 36.964 17.929 1.00 0.00 C
690
+ ATOM 689 SG CYS A 48 19.570 37.779 19.494 1.00 0.00 S
691
+ ATOM 690 H CYS A 48 18.295 35.333 19.474 1.00 0.00 H
692
+ ATOM 691 HA CYS A 48 17.134 37.023 17.921 1.00 0.00 H
693
+ ATOM 692 HB2 CYS A 48 19.870 36.272 17.777 1.00 0.00 H
694
+ ATOM 693 HB3 CYS A 48 19.302 37.610 17.212 1.00 0.00 H
695
+ ATOM 694 HG CYS A 48 19.871 38.922 19.290 1.00 0.00 H
696
+ ATOM 695 N PRO A 49 16.866 36.216 15.574 1.00 0.00 N
697
+ ATOM 696 CA PRO A 49 16.686 35.613 14.247 1.00 0.00 C
698
+ ATOM 697 C PRO A 49 18.055 35.434 13.586 1.00 0.00 C
699
+ ATOM 698 O PRO A 49 18.848 36.374 13.535 1.00 0.00 O
700
+ ATOM 699 CB PRO A 49 15.822 36.640 13.520 1.00 0.00 C
701
+ ATOM 700 CG PRO A 49 14.988 37.218 14.633 1.00 0.00 C
702
+ ATOM 701 CD PRO A 49 16.018 37.412 15.728 1.00 0.00 C
703
+ ATOM 702 HA PRO A 49 16.276 34.734 14.251 1.00 0.00 H
704
+ ATOM 703 HB2 PRO A 49 16.360 37.319 13.083 1.00 0.00 H
705
+ ATOM 704 HB3 PRO A 49 15.273 36.228 12.835 1.00 0.00 H
706
+ ATOM 705 HG2 PRO A 49 14.569 38.054 14.376 1.00 0.00 H
707
+ ATOM 706 HG3 PRO A 49 14.278 36.616 14.905 1.00 0.00 H
708
+ ATOM 707 HD2 PRO A 49 16.523 38.232 15.609 1.00 0.00 H
709
+ ATOM 708 HD3 PRO A 49 15.609 37.455 16.606 1.00 0.00 H
710
+ ATOM 709 N SER A 50 18.321 34.233 13.081 1.00 0.00 N
711
+ ATOM 710 CA SER A 50 19.597 33.932 12.434 1.00 0.00 C
712
+ ATOM 711 C SER A 50 19.949 34.928 11.334 1.00 0.00 C
713
+ ATOM 712 O SER A 50 19.077 35.387 10.598 1.00 0.00 O
714
+ ATOM 713 CB SER A 50 19.570 32.520 11.844 1.00 0.00 C
715
+ ATOM 714 OG SER A 50 19.361 31.551 12.854 1.00 0.00 O
716
+ ATOM 715 H SER A 50 17.771 33.572 13.103 1.00 0.00 H
717
+ ATOM 716 HA SER A 50 20.279 33.998 13.121 1.00 0.00 H
718
+ ATOM 717 HB2 SER A 50 18.866 32.457 11.180 1.00 0.00 H
719
+ ATOM 718 HB3 SER A 50 20.407 32.341 11.388 1.00 0.00 H
720
+ ATOM 719 HG SER A 50 20.102 31.249 13.111 1.00 0.00 H
721
+ ATOM 720 N LYS A 51 21.235 35.250 11.224 1.00 0.00 N
722
+ ATOM 721 CA LYS A 51 21.707 36.188 10.207 1.00 0.00 C
723
+ ATOM 722 C LYS A 51 21.715 35.586 8.797 1.00 0.00 C
724
+ ATOM 723 O LYS A 51 22.462 34.651 8.510 1.00 0.00 O
725
+ ATOM 724 CB LYS A 51 23.115 36.685 10.565 1.00 0.00 C
726
+ ATOM 725 CG LYS A 51 23.714 37.672 9.561 1.00 0.00 C
727
+ ATOM 726 CD LYS A 51 22.834 38.906 9.386 1.00 0.00 C
728
+ ATOM 727 CE LYS A 51 23.438 39.887 8.397 1.00 0.00 C
729
+ ATOM 728 NZ LYS A 51 23.605 39.305 7.037 1.00 0.00 N
730
+ ATOM 729 H LYS A 51 21.854 34.935 11.731 1.00 0.00 H
731
+ ATOM 730 HA LYS A 51 21.082 36.929 10.197 1.00 0.00 H
732
+ ATOM 731 HB2 LYS A 51 23.084 37.107 11.438 1.00 0.00 H
733
+ ATOM 732 HB3 LYS A 51 23.706 35.920 10.641 1.00 0.00 H
734
+ ATOM 733 HG2 LYS A 51 24.596 37.943 9.861 1.00 0.00 H
735
+ ATOM 734 HG3 LYS A 51 23.829 37.232 8.704 1.00 0.00 H
736
+ ATOM 735 HD2 LYS A 51 21.954 38.636 9.079 1.00 0.00 H
737
+ ATOM 736 HD3 LYS A 51 22.714 39.343 10.244 1.00 0.00 H
738
+ ATOM 737 HE2 LYS A 51 22.872 40.673 8.341 1.00 0.00 H
739
+ ATOM 738 HE3 LYS A 51 24.301 40.182 8.726 1.00 0.00 H
740
+ ATOM 739 HZ1 LYS A 51 23.947 39.919 6.491 1.00 0.00 H
741
+ ATOM 740 HZ2 LYS A 51 24.154 38.606 7.078 1.00 0.00 H
742
+ ATOM 741 HZ3 LYS A 51 22.813 39.042 6.727 1.00 0.00 H
743
+ ATOM 742 N LYS A 52 20.879 36.145 7.928 1.00 0.00 N
744
+ ATOM 743 CA LYS A 52 20.749 35.709 6.541 1.00 0.00 C
745
+ ATOM 744 C LYS A 52 21.537 36.644 5.618 1.00 0.00 C
746
+ ATOM 745 O LYS A 52 21.510 37.863 5.789 1.00 0.00 O
747
+ ATOM 746 CB LYS A 52 19.262 35.698 6.159 1.00 0.00 C
748
+ ATOM 747 CG LYS A 52 18.921 36.253 4.779 1.00 0.00 C
749
+ ATOM 748 CD LYS A 52 19.242 35.280 3.662 1.00 0.00 C
750
+ ATOM 749 CE LYS A 52 18.824 35.848 2.317 1.00 0.00 C
751
+ ATOM 750 NZ LYS A 52 17.377 36.193 2.297 1.00 0.00 N
752
+ ATOM 751 H LYS A 52 20.361 36.801 8.132 1.00 0.00 H
753
+ ATOM 752 HA LYS A 52 21.111 34.815 6.443 1.00 0.00 H
754
+ ATOM 753 HB2 LYS A 52 18.940 34.784 6.209 1.00 0.00 H
755
+ ATOM 754 HB3 LYS A 52 18.772 36.208 6.823 1.00 0.00 H
756
+ ATOM 755 HG2 LYS A 52 17.977 36.475 4.748 1.00 0.00 H
757
+ ATOM 756 HG3 LYS A 52 19.412 37.077 4.636 1.00 0.00 H
758
+ ATOM 757 HD2 LYS A 52 20.193 35.090 3.656 1.00 0.00 H
759
+ ATOM 758 HD3 LYS A 52 18.785 34.439 3.819 1.00 0.00 H
760
+ ATOM 759 HE2 LYS A 52 19.349 36.640 2.121 1.00 0.00 H
761
+ ATOM 760 HE3 LYS A 52 19.014 35.202 1.619 1.00 0.00 H
762
+ ATOM 761 HZ1 LYS A 52 17.078 36.171 1.459 1.00 0.00 H
763
+ ATOM 762 HZ2 LYS A 52 16.925 35.605 2.788 1.00 0.00 H
764
+ ATOM 763 HZ3 LYS A 52 17.262 37.010 2.632 1.00 0.00 H
765
+ ATOM 764 N PRO A 53 22.254 36.080 4.629 1.00 0.00 N
766
+ ATOM 765 CA PRO A 53 23.059 36.845 3.667 1.00 0.00 C
767
+ ATOM 766 C PRO A 53 22.555 38.222 3.220 1.00 0.00 C
768
+ ATOM 767 O PRO A 53 23.260 39.219 3.373 1.00 0.00 O
769
+ ATOM 768 CB PRO A 53 23.197 35.873 2.501 1.00 0.00 C
770
+ ATOM 769 CG PRO A 53 23.363 34.578 3.209 1.00 0.00 C
771
+ ATOM 770 CD PRO A 53 22.305 34.640 4.305 1.00 0.00 C
772
+ ATOM 771 HA PRO A 53 23.888 37.119 4.090 1.00 0.00 H
773
+ ATOM 772 HB2 PRO A 53 22.414 35.878 1.928 1.00 0.00 H
774
+ ATOM 773 HB3 PRO A 53 23.960 36.082 1.940 1.00 0.00 H
775
+ ATOM 774 HG2 PRO A 53 23.220 33.824 2.615 1.00 0.00 H
776
+ ATOM 775 HG3 PRO A 53 24.255 34.483 3.578 1.00 0.00 H
777
+ ATOM 776 HD2 PRO A 53 21.447 34.310 3.996 1.00 0.00 H
778
+ ATOM 777 HD3 PRO A 53 22.553 34.106 5.076 1.00 0.00 H
779
+ ATOM 778 N TYR A 54 21.347 38.287 2.672 1.00 0.00 N
780
+ ATOM 779 CA TYR A 54 20.822 39.564 2.198 1.00 0.00 C
781
+ ATOM 780 C TYR A 54 19.743 40.153 3.105 1.00 0.00 C
782
+ ATOM 781 O TYR A 54 18.731 40.686 2.644 1.00 0.00 O
783
+ ATOM 782 CB TYR A 54 20.311 39.386 0.769 1.00 0.00 C
784
+ ATOM 783 CG TYR A 54 21.378 38.811 -0.141 1.00 0.00 C
785
+ ATOM 784 CD1 TYR A 54 22.515 39.553 -0.470 1.00 0.00 C
786
+ ATOM 785 CD2 TYR A 54 21.286 37.503 -0.618 1.00 0.00 C
787
+ ATOM 786 CE1 TYR A 54 23.537 39.004 -1.249 1.00 0.00 C
788
+ ATOM 787 CE2 TYR A 54 22.302 36.943 -1.397 1.00 0.00 C
789
+ ATOM 788 CZ TYR A 54 23.424 37.699 -1.707 1.00 0.00 C
790
+ ATOM 789 OH TYR A 54 24.434 37.145 -2.465 1.00 0.00 O
791
+ ATOM 790 H TYR A 54 20.821 37.615 2.566 1.00 0.00 H
792
+ ATOM 791 HA TYR A 54 21.547 40.209 2.216 1.00 0.00 H
793
+ ATOM 792 HB2 TYR A 54 19.538 38.800 0.772 1.00 0.00 H
794
+ ATOM 793 HB3 TYR A 54 20.016 40.242 0.422 1.00 0.00 H
795
+ ATOM 794 HD1 TYR A 54 22.593 40.428 -0.165 1.00 0.00 H
796
+ ATOM 795 HD2 TYR A 54 20.535 36.994 -0.414 1.00 0.00 H
797
+ ATOM 796 HE1 TYR A 54 24.288 39.510 -1.459 1.00 0.00 H
798
+ ATOM 797 HE2 TYR A 54 22.227 36.069 -1.706 1.00 0.00 H
799
+ ATOM 798 HH TYR A 54 25.020 37.727 -2.619 1.00 0.00 H
800
+ ATOM 799 N GLU A 55 19.994 40.071 4.406 1.00 0.00 N
801
+ ATOM 800 CA GLU A 55 19.074 40.571 5.420 1.00 0.00 C
802
+ ATOM 801 C GLU A 55 19.880 41.175 6.564 1.00 0.00 C
803
+ ATOM 802 O GLU A 55 20.950 40.675 6.899 1.00 0.00 O
804
+ ATOM 803 CB GLU A 55 18.251 39.408 5.975 1.00 0.00 C
805
+ ATOM 804 CG GLU A 55 16.753 39.515 5.814 1.00 0.00 C
806
+ ATOM 805 CD GLU A 55 16.036 38.278 6.334 1.00 0.00 C
807
+ ATOM 806 OE1 GLU A 55 16.225 37.931 7.519 1.00 0.00 O
808
+ ATOM 807 OE2 GLU A 55 15.285 37.654 5.558 1.00 0.00 O
809
+ ATOM 808 H GLU A 55 20.710 39.720 4.728 1.00 0.00 H
810
+ ATOM 809 HA GLU A 55 18.489 41.237 5.027 1.00 0.00 H
811
+ ATOM 810 HB2 GLU A 55 18.547 38.592 5.543 1.00 0.00 H
812
+ ATOM 811 HB3 GLU A 55 18.450 39.317 6.920 1.00 0.00 H
813
+ ATOM 812 HG2 GLU A 55 16.432 40.298 6.289 1.00 0.00 H
814
+ ATOM 813 HG3 GLU A 55 16.537 39.643 4.877 1.00 0.00 H
815
+ ATOM 814 N GLU A 56 19.373 42.251 7.155 1.00 0.00 N
816
+ ATOM 815 CA GLU A 56 20.046 42.878 8.285 1.00 0.00 C
817
+ ATOM 816 C GLU A 56 19.194 42.584 9.512 1.00 0.00 C
818
+ ATOM 817 O GLU A 56 17.969 42.700 9.466 1.00 0.00 O
819
+ ATOM 818 CB GLU A 56 20.156 44.393 8.096 1.00 0.00 C
820
+ ATOM 819 CG GLU A 56 20.774 44.823 6.780 1.00 0.00 C
821
+ ATOM 820 CD GLU A 56 21.003 46.319 6.710 1.00 0.00 C
822
+ ATOM 821 OE1 GLU A 56 20.118 47.080 7.156 1.00 0.00 O
823
+ ATOM 822 OE2 GLU A 56 22.063 46.734 6.201 1.00 0.00 O
824
+ ATOM 823 H GLU A 56 18.640 42.633 6.917 1.00 0.00 H
825
+ ATOM 824 HA GLU A 56 20.947 42.530 8.373 1.00 0.00 H
826
+ ATOM 825 HB2 GLU A 56 19.270 44.781 8.165 1.00 0.00 H
827
+ ATOM 826 HB3 GLU A 56 20.684 44.760 8.823 1.00 0.00 H
828
+ ATOM 827 HG2 GLU A 56 21.619 44.363 6.657 1.00 0.00 H
829
+ ATOM 828 HG3 GLU A 56 20.195 44.553 6.050 1.00 0.00 H
830
+ ATOM 829 N VAL A 57 19.835 42.195 10.606 1.00 0.00 N
831
+ ATOM 830 CA VAL A 57 19.103 41.888 11.821 1.00 0.00 C
832
+ ATOM 831 C VAL A 57 19.766 42.506 13.033 1.00 0.00 C
833
+ ATOM 832 O VAL A 57 20.985 42.432 13.197 1.00 0.00 O
834
+ ATOM 833 CB VAL A 57 19.000 40.363 12.064 1.00 0.00 C
835
+ ATOM 834 CG1 VAL A 57 18.210 40.093 13.342 1.00 0.00 C
836
+ ATOM 835 CG2 VAL A 57 18.337 39.685 10.879 1.00 0.00 C
837
+ ATOM 836 H VAL A 57 20.688 42.103 10.664 1.00 0.00 H
838
+ ATOM 837 HA VAL A 57 18.215 42.259 11.699 1.00 0.00 H
839
+ ATOM 838 HB VAL A 57 19.893 39.999 12.165 1.00 0.00 H
840
+ ATOM 839 HG11 VAL A 57 18.149 39.136 13.489 1.00 0.00 H
841
+ ATOM 840 HG12 VAL A 57 18.660 40.507 14.095 1.00 0.00 H
842
+ ATOM 841 HG13 VAL A 57 17.318 40.464 13.256 1.00 0.00 H
843
+ ATOM 842 HG21 VAL A 57 18.278 38.731 11.043 1.00 0.00 H
844
+ ATOM 843 HG22 VAL A 57 17.446 40.047 10.756 1.00 0.00 H
845
+ ATOM 844 HG23 VAL A 57 18.863 39.843 10.079 1.00 0.00 H
846
+ ATOM 845 N THR A 58 18.948 43.136 13.864 1.00 0.00 N
847
+ ATOM 846 CA THR A 58 19.411 43.729 15.107 1.00 0.00 C
848
+ ATOM 847 C THR A 58 18.538 43.176 16.220 1.00 0.00 C
849
+ ATOM 848 O THR A 58 17.312 43.133 16.093 1.00 0.00 O
850
+ ATOM 849 CB THR A 58 19.249 45.257 15.131 1.00 0.00 C
851
+ ATOM 850 OG1 THR A 58 20.141 45.856 14.184 1.00 0.00 O
852
+ ATOM 851 CG2 THR A 58 19.552 45.793 16.533 1.00 0.00 C
853
+ ATOM 852 H THR A 58 18.105 43.232 13.722 1.00 0.00 H
854
+ ATOM 853 HA THR A 58 20.353 43.520 15.208 1.00 0.00 H
855
+ ATOM 854 HB THR A 58 18.335 45.480 14.895 1.00 0.00 H
856
+ ATOM 855 HG1 THR A 58 20.320 45.302 13.578 1.00 0.00 H
857
+ ATOM 856 HG21 THR A 58 19.448 46.757 16.540 1.00 0.00 H
858
+ ATOM 857 HG22 THR A 58 18.938 45.397 17.171 1.00 0.00 H
859
+ ATOM 858 HG23 THR A 58 20.463 45.565 16.777 1.00 0.00 H
860
+ ATOM 859 N CYS A 59 19.164 42.713 17.305 1.00 0.00 N
861
+ ATOM 860 CA CYS A 59 18.430 42.177 18.458 1.00 0.00 C
862
+ ATOM 861 C CYS A 59 18.999 42.811 19.722 1.00 0.00 C
863
+ ATOM 862 O CYS A 59 20.219 42.866 19.904 1.00 0.00 O
864
+ ATOM 863 CB CYS A 59 18.564 40.658 18.541 1.00 0.00 C
865
+ ATOM 864 SG CYS A 59 20.241 40.077 18.858 1.00 0.00 S
866
+ ATOM 865 H CYS A 59 20.019 42.700 17.394 1.00 0.00 H
867
+ ATOM 866 HA CYS A 59 17.488 42.386 18.362 1.00 0.00 H
868
+ ATOM 867 HB2 CYS A 59 17.981 40.330 19.244 1.00 0.00 H
869
+ ATOM 868 HB3 CYS A 59 18.251 40.270 17.709 1.00 0.00 H
870
+ ATOM 869 HG CYS A 59 20.253 38.877 18.876 1.00 0.00 H
871
+ ATOM 870 N CYS A 60 18.117 43.267 20.605 1.00 0.00 N
872
+ ATOM 871 CA CYS A 60 18.532 43.957 21.808 1.00 0.00 C
873
+ ATOM 872 C CYS A 60 17.672 43.535 22.993 1.00 0.00 C
874
+ ATOM 873 O CYS A 60 16.629 42.895 22.818 1.00 0.00 O
875
+ ATOM 874 CB CYS A 60 18.446 45.452 21.547 1.00 0.00 C
876
+ ATOM 875 SG CYS A 60 16.843 45.918 20.829 1.00 0.00 S
877
+ ATOM 876 H CYS A 60 17.265 43.183 20.520 1.00 0.00 H
878
+ ATOM 877 HA CYS A 60 19.446 43.725 22.035 1.00 0.00 H
879
+ ATOM 878 HB2 CYS A 60 18.581 45.934 22.378 1.00 0.00 H
880
+ ATOM 879 HB3 CYS A 60 19.160 45.717 20.946 1.00 0.00 H
881
+ ATOM 880 N SER A 61 18.093 43.904 24.195 1.00 0.00 N
882
+ ATOM 881 CA SER A 61 17.366 43.461 25.372 1.00 0.00 C
883
+ ATOM 882 C SER A 61 16.836 44.479 26.370 1.00 0.00 C
884
+ ATOM 883 O SER A 61 16.635 44.144 27.534 1.00 0.00 O
885
+ ATOM 884 CB SER A 61 18.212 42.416 26.100 1.00 0.00 C
886
+ ATOM 885 OG SER A 61 19.504 42.919 26.371 1.00 0.00 O
887
+ ATOM 886 H SER A 61 18.780 44.398 24.348 1.00 0.00 H
888
+ ATOM 887 HA SER A 61 16.540 43.120 24.995 1.00 0.00 H
889
+ ATOM 888 HB2 SER A 61 17.778 42.163 26.930 1.00 0.00 H
890
+ ATOM 889 HB3 SER A 61 18.279 41.614 25.559 1.00 0.00 H
891
+ ATOM 890 HG SER A 61 19.440 43.654 26.773 1.00 0.00 H
892
+ ATOM 891 N THR A 62 16.625 45.718 25.938 1.00 0.00 N
893
+ ATOM 892 CA THR A 62 16.041 46.718 26.830 1.00 0.00 C
894
+ ATOM 893 C THR A 62 14.728 47.178 26.195 1.00 0.00 C
895
+ ATOM 894 O THR A 62 14.571 47.132 24.972 1.00 0.00 O
896
+ ATOM 895 CB THR A 62 16.983 47.928 27.081 1.00 0.00 C
897
+ ATOM 896 OG1 THR A 62 17.342 48.545 25.841 1.00 0.00 O
898
+ ATOM 897 CG2 THR A 62 18.243 47.470 27.808 1.00 0.00 C
899
+ ATOM 898 H THR A 62 16.809 45.998 25.146 1.00 0.00 H
900
+ ATOM 899 HA THR A 62 15.892 46.319 27.702 1.00 0.00 H
901
+ ATOM 900 HB THR A 62 16.513 48.574 27.631 1.00 0.00 H
902
+ ATOM 901 HG1 THR A 62 17.561 47.953 25.287 1.00 0.00 H
903
+ ATOM 902 HG21 THR A 62 18.824 48.232 27.960 1.00 0.00 H
904
+ ATOM 903 HG22 THR A 62 18.000 47.074 28.660 1.00 0.00 H
905
+ ATOM 904 HG23 THR A 62 18.708 46.812 27.267 1.00 0.00 H
906
+ ATOM 905 N ASP A 63 13.777 47.597 27.023 1.00 0.00 N
907
+ ATOM 906 CA ASP A 63 12.472 48.028 26.524 1.00 0.00 C
908
+ ATOM 907 C ASP A 63 12.525 49.023 25.362 1.00 0.00 C
909
+ ATOM 908 O ASP A 63 13.232 50.032 25.416 1.00 0.00 O
910
+ ATOM 909 CB ASP A 63 11.632 48.642 27.656 1.00 0.00 C
911
+ ATOM 910 CG ASP A 63 11.228 47.630 28.721 1.00 0.00 C
912
+ ATOM 911 OD1 ASP A 63 11.243 46.408 28.463 1.00 0.00 O
913
+ ATOM 912 OD2 ASP A 63 10.867 48.071 29.830 1.00 0.00 O
914
+ ATOM 913 H ASP A 63 13.865 47.640 27.877 1.00 0.00 H
915
+ ATOM 914 HA ASP A 63 12.063 47.218 26.182 1.00 0.00 H
916
+ ATOM 915 HB2 ASP A 63 12.136 49.358 28.073 1.00 0.00 H
917
+ ATOM 916 HB3 ASP A 63 10.833 49.041 27.278 1.00 0.00 H
918
+ ATOM 917 N LYS A 64 11.758 48.721 24.318 1.00 0.00 N
919
+ ATOM 918 CA LYS A 64 11.647 49.560 23.130 1.00 0.00 C
920
+ ATOM 919 C LYS A 64 12.988 49.921 22.498 1.00 0.00 C
921
+ ATOM 920 O LYS A 64 13.174 51.016 21.966 1.00 0.00 O
922
+ ATOM 921 CB LYS A 64 10.852 50.819 23.482 1.00 0.00 C
923
+ ATOM 922 CG LYS A 64 9.429 50.501 23.936 1.00 0.00 C
924
+ ATOM 923 CD LYS A 64 8.673 51.729 24.422 1.00 0.00 C
925
+ ATOM 924 CE LYS A 64 8.416 52.706 23.296 1.00 0.00 C
926
+ ATOM 925 NZ LYS A 64 7.558 53.847 23.739 1.00 0.00 N
927
+ ATOM 926 H LYS A 64 11.278 48.008 24.280 1.00 0.00 H
928
+ ATOM 927 HA LYS A 64 11.181 49.042 22.455 1.00 0.00 H
929
+ ATOM 928 HB2 LYS A 64 11.313 51.303 24.185 1.00 0.00 H
930
+ ATOM 929 HB3 LYS A 64 10.819 51.404 22.709 1.00 0.00 H
931
+ ATOM 930 HG2 LYS A 64 8.942 50.098 23.200 1.00 0.00 H
932
+ ATOM 931 HG3 LYS A 64 9.461 49.844 24.649 1.00 0.00 H
933
+ ATOM 932 HD2 LYS A 64 7.829 51.456 24.814 1.00 0.00 H
934
+ ATOM 933 HD3 LYS A 64 9.182 52.167 25.122 1.00 0.00 H
935
+ ATOM 934 HE2 LYS A 64 9.261 53.046 22.963 1.00 0.00 H
936
+ ATOM 935 HE3 LYS A 64 7.986 52.245 22.559 1.00 0.00 H
937
+ ATOM 936 HZ1 LYS A 64 6.903 53.973 23.149 1.00 0.00 H
938
+ ATOM 937 HZ2 LYS A 64 7.207 53.663 24.536 1.00 0.00 H
939
+ ATOM 938 HZ3 LYS A 64 8.052 54.585 23.796 1.00 0.00 H
940
+ ATOM 939 N CYS A 65 13.911 48.971 22.537 1.00 0.00 N
941
+ ATOM 940 CA CYS A 65 15.239 49.172 21.976 1.00 0.00 C
942
+ ATOM 941 C CYS A 65 15.270 48.932 20.463 1.00 0.00 C
943
+ ATOM 942 O CYS A 65 16.297 49.146 19.821 1.00 0.00 O
944
+ ATOM 943 CB CYS A 65 16.227 48.234 22.665 1.00 0.00 C
945
+ ATOM 944 SG CYS A 65 15.829 46.465 22.497 1.00 0.00 S
946
+ ATOM 945 H CYS A 65 13.787 48.195 22.887 1.00 0.00 H
947
+ ATOM 946 HA CYS A 65 15.488 50.097 22.129 1.00 0.00 H
948
+ ATOM 947 HB2 CYS A 65 17.112 48.391 22.301 1.00 0.00 H
949
+ ATOM 948 HB3 CYS A 65 16.264 48.458 23.608 1.00 0.00 H
950
+ ATOM 949 N ASN A 66 14.141 48.507 19.897 1.00 0.00 N
951
+ ATOM 950 CA ASN A 66 14.055 48.212 18.465 1.00 0.00 C
952
+ ATOM 951 C ASN A 66 13.114 49.157 17.719 1.00 0.00 C
953
+ ATOM 952 O ASN A 66 12.175 48.716 17.051 1.00 0.00 O
954
+ ATOM 953 CB ASN A 66 13.568 46.773 18.269 1.00 0.00 C
955
+ ATOM 954 CG ASN A 66 12.127 46.579 18.734 1.00 0.00 C
956
+ ATOM 955 OD1 ASN A 66 11.692 47.191 19.715 1.00 0.00 O
957
+ ATOM 956 ND2 ASN A 66 11.385 45.723 18.035 1.00 0.00 N
958
+ ATOM 957 H ASN A 66 13.407 48.382 20.328 1.00 0.00 H
959
+ ATOM 958 HA ASN A 66 14.944 48.334 18.097 1.00 0.00 H
960
+ ATOM 959 HB2 ASN A 66 13.637 46.535 17.331 1.00 0.00 H
961
+ ATOM 960 HB3 ASN A 66 14.148 46.168 18.758 1.00 0.00 H
962
+ ATOM 961 HD21 ASN A 66 10.568 45.578 18.261 1.00 0.00 H
963
+ ATOM 962 HD22 ASN A 66 11.723 45.315 17.357 1.00 0.00 H
964
+ ATOM 963 N PRO A 67 13.358 50.469 17.804 1.00 0.00 N
965
+ ATOM 964 CA PRO A 67 12.462 51.386 17.099 1.00 0.00 C
966
+ ATOM 965 C PRO A 67 12.616 51.364 15.585 1.00 0.00 C
967
+ ATOM 966 O PRO A 67 13.595 50.843 15.040 1.00 0.00 O
968
+ ATOM 967 CB PRO A 67 12.851 52.744 17.669 1.00 0.00 C
969
+ ATOM 968 CG PRO A 67 14.350 52.592 17.811 1.00 0.00 C
970
+ ATOM 969 CD PRO A 67 14.471 51.204 18.439 1.00 0.00 C
971
+ ATOM 970 HA PRO A 67 11.532 51.146 17.232 1.00 0.00 H
972
+ ATOM 971 HB2 PRO A 67 12.612 53.472 17.074 1.00 0.00 H
973
+ ATOM 972 HB3 PRO A 67 12.420 52.920 18.520 1.00 0.00 H
974
+ ATOM 973 HG2 PRO A 67 14.803 52.644 16.955 1.00 0.00 H
975
+ ATOM 974 HG3 PRO A 67 14.733 53.281 18.376 1.00 0.00 H
976
+ ATOM 975 HD2 PRO A 67 15.330 50.795 18.248 1.00 0.00 H
977
+ ATOM 976 HD3 PRO A 67 14.380 51.235 19.404 1.00 0.00 H
978
+ ATOM 977 N HIS A 68 11.627 51.937 14.916 1.00 0.00 N
979
+ ATOM 978 CA HIS A 68 11.660 52.073 13.472 1.00 0.00 C
980
+ ATOM 979 C HIS A 68 12.796 53.084 13.269 1.00 0.00 C
981
+ ATOM 980 O HIS A 68 12.990 53.969 14.099 1.00 0.00 O
982
+ ATOM 981 CB HIS A 68 10.340 52.674 12.984 1.00 0.00 C
983
+ ATOM 982 CG HIS A 68 10.318 52.981 11.521 1.00 0.00 C
984
+ ATOM 983 ND1 HIS A 68 11.340 53.650 10.883 1.00 0.00 N
985
+ ATOM 984 CD2 HIS A 68 9.394 52.711 10.569 1.00 0.00 C
986
+ ATOM 985 CE1 HIS A 68 11.047 53.777 9.601 1.00 0.00 C
987
+ ATOM 986 NE2 HIS A 68 9.871 53.216 9.385 1.00 0.00 N
988
+ ATOM 987 H HIS A 68 10.920 52.257 15.286 1.00 0.00 H
989
+ ATOM 988 HA HIS A 68 11.786 51.237 12.997 1.00 0.00 H
990
+ ATOM 989 HB2 HIS A 68 9.619 52.057 13.187 1.00 0.00 H
991
+ ATOM 990 HB3 HIS A 68 10.163 53.489 13.479 1.00 0.00 H
992
+ ATOM 991 HD1 HIS A 68 12.056 53.940 11.260 1.00 0.00 H
993
+ ATOM 992 HD2 HIS A 68 8.587 52.266 10.694 1.00 0.00 H
994
+ ATOM 993 HE1 HIS A 68 11.578 54.191 8.960 1.00 0.00 H
995
+ ATOM 994 HE2 HIS A 68 9.469 53.174 8.626 1.00 0.00 H
996
+ ATOM 995 N PRO A 69 13.563 52.960 12.175 1.00 0.00 N
997
+ ATOM 996 CA PRO A 69 14.673 53.880 11.897 1.00 0.00 C
998
+ ATOM 997 C PRO A 69 14.318 55.360 12.071 1.00 0.00 C
999
+ ATOM 998 O PRO A 69 15.175 56.173 12.415 1.00 0.00 O
1000
+ ATOM 999 CB PRO A 69 15.038 53.540 10.457 1.00 0.00 C
1001
+ ATOM 1000 CG PRO A 69 14.798 52.063 10.409 1.00 0.00 C
1002
+ ATOM 1001 CD PRO A 69 13.474 51.915 11.139 1.00 0.00 C
1003
+ ATOM 1002 HA PRO A 69 15.404 53.766 12.524 1.00 0.00 H
1004
+ ATOM 1003 HB2 PRO A 69 14.484 54.018 9.820 1.00 0.00 H
1005
+ ATOM 1004 HB3 PRO A 69 15.960 53.764 10.255 1.00 0.00 H
1006
+ ATOM 1005 HG2 PRO A 69 14.745 51.736 9.497 1.00 0.00 H
1007
+ ATOM 1006 HG3 PRO A 69 15.508 51.568 10.847 1.00 0.00 H
1008
+ ATOM 1007 HD2 PRO A 69 12.718 52.056 10.548 1.00 0.00 H
1009
+ ATOM 1008 HD3 PRO A 69 13.371 51.031 11.525 1.00 0.00 H
1010
+ ATOM 1009 N LYS A 70 13.055 55.703 11.840 1.00 0.00 N
1011
+ ATOM 1010 CA LYS A 70 12.607 57.086 11.959 1.00 0.00 C
1012
+ ATOM 1011 C LYS A 70 12.252 57.502 13.381 1.00 0.00 C
1013
+ ATOM 1012 O LYS A 70 11.757 58.608 13.597 1.00 0.00 O
1014
+ ATOM 1013 CB LYS A 70 11.402 57.331 11.048 1.00 0.00 C
1015
+ ATOM 1014 CG LYS A 70 11.730 57.356 9.564 1.00 0.00 C
1016
+ ATOM 1015 CD LYS A 70 12.592 58.556 9.210 1.00 0.00 C
1017
+ ATOM 1016 CE LYS A 70 12.864 58.621 7.717 1.00 0.00 C
1018
+ ATOM 1017 NZ LYS A 70 13.626 59.845 7.350 1.00 0.00 N
1019
+ ATOM 1018 H LYS A 70 12.439 55.147 11.612 1.00 0.00 H
1020
+ ATOM 1019 HA LYS A 70 13.362 57.631 11.688 1.00 0.00 H
1021
+ ATOM 1020 HB2 LYS A 70 10.742 56.639 11.210 1.00 0.00 H
1022
+ ATOM 1021 HB3 LYS A 70 10.993 58.176 11.292 1.00 0.00 H
1023
+ ATOM 1022 HG2 LYS A 70 12.192 56.539 9.319 1.00 0.00 H
1024
+ ATOM 1023 HG3 LYS A 70 10.908 57.382 9.049 1.00 0.00 H
1025
+ ATOM 1024 HD2 LYS A 70 12.149 59.370 9.496 1.00 0.00 H
1026
+ ATOM 1025 HD3 LYS A 70 13.432 58.506 9.692 1.00 0.00 H
1027
+ ATOM 1026 HE2 LYS A 70 13.363 57.835 7.444 1.00 0.00 H
1028
+ ATOM 1027 HE3 LYS A 70 12.023 58.606 7.234 1.00 0.00 H
1029
+ ATOM 1028 HZ1 LYS A 70 14.086 59.696 6.603 1.00 0.00 H
1030
+ ATOM 1029 HZ2 LYS A 70 13.060 60.519 7.220 1.00 0.00 H
1031
+ ATOM 1030 HZ3 LYS A 70 14.189 60.053 8.007 1.00 0.00 H
1032
+ ATOM 1031 N GLN A 71 12.500 56.624 14.349 1.00 0.00 N
1033
+ ATOM 1032 CA GLN A 71 12.196 56.935 15.745 1.00 0.00 C
1034
+ ATOM 1033 C GLN A 71 13.373 56.658 16.676 1.00 0.00 C
1035
+ ATOM 1034 O GLN A 71 14.248 55.846 16.369 1.00 0.00 O
1036
+ ATOM 1035 CB GLN A 71 10.988 56.126 16.221 1.00 0.00 C
1037
+ ATOM 1036 CG GLN A 71 9.714 56.376 15.441 1.00 0.00 C
1038
+ ATOM 1037 CD GLN A 71 8.510 55.708 16.080 1.00 0.00 C
1039
+ ATOM 1038 OE1 GLN A 71 8.157 56.007 17.220 1.00 0.00 O
1040
+ ATOM 1039 NE2 GLN A 71 7.875 54.797 15.349 1.00 0.00 N
1041
+ ATOM 1040 H GLN A 71 12.842 55.846 14.221 1.00 0.00 H
1042
+ ATOM 1041 HA GLN A 71 12.001 57.885 15.779 1.00 0.00 H
1043
+ ATOM 1042 HB2 GLN A 71 11.205 55.182 16.169 1.00 0.00 H
1044
+ ATOM 1043 HB3 GLN A 71 10.826 56.329 17.156 1.00 0.00 H
1045
+ ATOM 1044 HG2 GLN A 71 9.557 57.331 15.379 1.00 0.00 H
1046
+ ATOM 1045 HG3 GLN A 71 9.822 56.047 14.535 1.00 0.00 H
1047
+ ATOM 1046 HE21 GLN A 71 8.151 54.614 14.555 1.00 0.00 H
1048
+ ATOM 1047 HE22 GLN A 71 7.188 54.391 15.670 1.00 0.00 H
1049
+ ATOM 1048 N ARG A 72 13.421 57.369 17.796 1.00 0.00 N
1050
+ ATOM 1049 CA ARG A 72 14.501 57.165 18.759 1.00 0.00 C
1051
+ ATOM 1050 C ARG A 72 14.127 56.038 19.721 1.00 0.00 C
1052
+ ATOM 1051 O ARG A 72 12.948 55.797 19.973 1.00 0.00 O
1053
+ ATOM 1052 CB ARG A 72 14.764 58.447 19.557 1.00 0.00 C
1054
+ ATOM 1053 CG ARG A 72 13.685 58.799 20.569 1.00 0.00 C
1055
+ ATOM 1054 CD ARG A 72 12.341 59.043 19.899 1.00 0.00 C
1056
+ ATOM 1055 NE ARG A 72 12.460 59.987 18.789 1.00 0.00 N
1057
+ ATOM 1056 CZ ARG A 72 11.434 60.454 18.090 1.00 0.00 C
1058
+ ATOM 1057 NH1 ARG A 72 10.196 60.071 18.383 1.00 0.00 N
1059
+ ATOM 1058 NH2 ARG A 72 11.648 61.297 17.090 1.00 0.00 N
1060
+ ATOM 1059 H ARG A 72 12.846 57.969 18.018 1.00 0.00 H
1061
+ ATOM 1060 HA ARG A 72 15.306 56.929 18.272 1.00 0.00 H
1062
+ ATOM 1061 HB2 ARG A 72 15.610 58.355 20.023 1.00 0.00 H
1063
+ ATOM 1062 HB3 ARG A 72 14.861 59.186 18.936 1.00 0.00 H
1064
+ ATOM 1063 HG2 ARG A 72 13.599 58.080 21.214 1.00 0.00 H
1065
+ ATOM 1064 HG3 ARG A 72 13.950 59.592 21.062 1.00 0.00 H
1066
+ ATOM 1065 HD2 ARG A 72 11.983 58.202 19.573 1.00 0.00 H
1067
+ ATOM 1066 HD3 ARG A 72 11.710 59.386 20.551 1.00 0.00 H
1068
+ ATOM 1067 HE ARG A 72 13.248 60.258 18.575 1.00 0.00 H
1069
+ ATOM 1068 HH11 ARG A 72 10.058 59.519 19.028 1.00 0.00 H
1070
+ ATOM 1069 HH12 ARG A 72 9.533 60.375 17.928 1.00 0.00 H
1071
+ ATOM 1070 HH21 ARG A 72 12.450 61.539 16.896 1.00 0.00 H
1072
+ ATOM 1071 HH22 ARG A 72 10.985 61.602 16.635 1.00 0.00 H
1073
+ ATOM 1072 N PRO A 73 15.091 55.317 20.301 1.00 0.00 N
1074
+ ATOM 1073 CA PRO A 73 14.891 54.191 21.221 1.00 0.00 C
1075
+ ATOM 1074 C PRO A 73 14.387 54.629 22.595 1.00 0.00 C
1076
+ ATOM 1075 O PRO A 73 14.530 55.792 22.976 1.00 0.00 O
1077
+ ATOM 1076 CB PRO A 73 16.284 53.561 21.314 1.00 0.00 C
1078
+ ATOM 1077 CG PRO A 73 16.974 54.016 20.055 1.00 0.00 C
1079
+ ATOM 1078 CD PRO A 73 16.512 55.438 19.938 1.00 0.00 C
1080
+ ATOM 1079 HA PRO A 73 14.209 53.579 20.903 1.00 0.00 H
1081
+ ATOM 1080 HB2 PRO A 73 16.757 53.860 22.106 1.00 0.00 H
1082
+ ATOM 1081 HB3 PRO A 73 16.234 52.593 21.362 1.00 0.00 H
1083
+ ATOM 1082 HG2 PRO A 73 17.939 53.953 20.128 1.00 0.00 H
1084
+ ATOM 1083 HG3 PRO A 73 16.712 53.485 19.286 1.00 0.00 H
1085
+ ATOM 1084 HD2 PRO A 73 16.993 56.028 20.539 1.00 0.00 H
1086
+ ATOM 1085 HD3 PRO A 73 16.631 55.788 19.041 1.00 0.00 H
1087
+ ATOM 1086 N GLY A 74 13.805 53.689 23.334 1.00 0.00 N
1088
+ ATOM 1087 CA GLY A 74 13.309 53.986 24.667 1.00 0.00 C
1089
+ ATOM 1088 C GLY A 74 11.863 54.440 24.727 1.00 0.00 C
1090
+ ATOM 1089 O GLY A 74 11.230 54.589 23.660 1.00 0.00 O
1091
+ ATOM 1090 OXT GLY A 74 11.360 54.651 25.850 1.00 0.00 O
1092
+ ATOM 1091 H GLY A 74 13.689 52.876 23.080 1.00 0.00 H
1093
+ ATOM 1092 HA2 GLY A 74 13.408 53.194 25.218 1.00 0.00 H
1094
+ ATOM 1093 HA3 GLY A 74 13.867 54.676 25.059 1.00 0.00 H
1095
+ TER 1094 GLY A 74
1096
+ CONECT 43 311
1097
+ CONECT 218 645
1098
+ CONECT 311 43
1099
+ CONECT 429 487
1100
+ CONECT 487 429
1101
+ CONECT 645 218
1102
+ CONECT 689 864
1103
+ CONECT 864 689
1104
+ CONECT 875 944
1105
+ CONECT 944 875
1106
+ END
1kfy/1kfy_ligand.mol2 ADDED
@@ -0,0 +1,83 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1kfy_ligand
7
+ 33 34 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N1 25.3350 14.7020 -52.6310 N.2 1 BRS 0.0677
14
+ 2 O2 25.4160 13.6360 -51.9960 O.2 1 BRS -0.1497
15
+ 3 O3 24.4050 14.7850 -53.4360 O.2 1 BRS -0.1497
16
+ 4 N4 26.6160 19.3300 -54.1660 N.2 1 BRS 0.0971
17
+ 5 O5 27.3360 20.3430 -54.1610 O.2 1 BRS -0.1240
18
+ 6 O6 25.6620 19.3360 -54.9310 O.2 1 BRS -0.1240
19
+ 7 C7 26.0690 16.9970 -53.2970 C.ar 1 BRS 0.1063
20
+ 8 C8 26.8970 18.1150 -53.2590 C.ar 1 BRS 0.2369
21
+ 9 C9 27.9910 18.1170 -52.3950 C.ar 1 BRS 0.1023
22
+ 10 C10 28.2620 17.0100 -51.5580 C.ar 1 BRS 0.1965
23
+ 11 C11 27.4520 15.8860 -51.5780 C.ar 1 BRS 0.3205
24
+ 12 C12 26.3150 15.8770 -52.4740 C.ar 1 BRS 0.2915
25
+ 13 O13 27.7670 14.8180 -50.7240 O.3 1 BRS -0.2122
26
+ 14 C14 31.1630 16.3180 -52.4580 C.ar 1 BRS -0.0022
27
+ 15 C15 30.7940 17.2530 -51.4560 C.ar 1 BRS 0.0617
28
+ 16 C16 31.6760 18.3560 -51.2570 C.ar 1 BRS -0.0022
29
+ 17 C17 32.9040 18.4940 -52.0540 C.ar 1 BRS -0.0081
30
+ 18 C18 33.2360 17.5080 -53.0570 C.ar 1 BRS 0.0845
31
+ 19 C19 32.3560 16.4480 -53.2330 C.ar 1 BRS -0.0081
32
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1lpz/1lpz_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1lpz/1lpz_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1m0b/1m0b_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
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+ M END
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+ $$$$
1q4x/1q4x_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1q4x/1q4x_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qxy/1qxy_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1qxy_ligand
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1qxy/1qxy_ligand.sdf ADDED
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+ $$$$