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1 Parent(s): ab670d5

Add batch 97

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  1. 1ahx/1ahx_ligand.mol2 +56 -0
  2. 1ahx/1ahx_ligand.sdf +48 -0
  3. 1ahx/1ahx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1ahx/1ahx_protein_processed_fix.pdb +0 -0
  5. 1bux/1bux_ligand.mol2 +104 -0
  6. 1bux/1bux_ligand.sdf +100 -0
  7. 1bux/1bux_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1bux/1bux_protein_processed_fix.pdb +0 -0
  9. 1fmb/1fmb_ligand.mol2 +182 -0
  10. 1fmb/1fmb_ligand.sdf +172 -0
  11. 1fmb/1fmb_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1fmb/1fmb_protein_processed_fix.pdb +0 -0
  13. 1lee/1lee_ligand.mol2 +178 -0
  14. 1lee/1lee_ligand.sdf +168 -0
  15. 1lee/1lee_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1lee/1lee_protein_processed_fix.pdb +0 -0
  17. 1li6/1li6_ligand.mol2 +42 -0
  18. 1li6/1li6_ligand.sdf +30 -0
  19. 1li6/1li6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1li6/1li6_protein_processed_fix.pdb +0 -0
  21. 1nlo/1nlo_ligand.mol2 +378 -0
  22. 1nlo/1nlo_ligand.sdf +368 -0
  23. 1nlo/1nlo_protein_esmfold_aligned_tr_fix.pdb +455 -0
  24. 1nlo/1nlo_protein_processed_fix.pdb +877 -0
  25. 1oiu/1oiu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1oiu/1oiu_protein_processed_fix.pdb +0 -0
  27. 1p01/1p01_ligand.mol2 +134 -0
  28. 1p01/1p01_ligand.sdf +124 -0
  29. 1p01/1p01_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1p01/1p01_protein_processed_fix.pdb +0 -0
  31. 1p04/1p04_ligand.mol2 +132 -0
  32. 1p04/1p04_ligand.sdf +122 -0
  33. 1p04/1p04_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1p04/1p04_protein_processed_fix.pdb +0 -0
  35. 1pig/1pig_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1pig/1pig_protein_processed_fix.pdb +0 -0
  37. 1pxh/1pxh_ligand.mol2 +173 -0
  38. 1pxh/1pxh_ligand.sdf +173 -0
  39. 1pxh/1pxh_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1pxh/1pxh_protein_processed_fix.pdb +0 -0
  41. 1r58/1r58_ligand.mol2 +108 -0
  42. 1r58/1r58_ligand.sdf +98 -0
  43. 1r58/1r58_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1r58/1r58_protein_processed_fix.pdb +0 -0
  45. 1sj0/1sj0_ligand.mol2 +146 -0
  46. 1sj0/1sj0_ligand.sdf +136 -0
  47. 1sj0/1sj0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1sj0/1sj0_protein_processed_fix.pdb +0 -0
  49. 1uu8/1uu8_ligand.mol2 +132 -0
  50. 1uu8/1uu8_ligand.sdf +120 -0
1ahx/1ahx_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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1ahx/1ahx_ligand.sdf ADDED
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1ahx/1ahx_protein_esmfold_aligned_tr_fix.pdb ADDED
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1ahx/1ahx_protein_processed_fix.pdb ADDED
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1bux/1bux_ligand.mol2 ADDED
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1bux/1bux_ligand.sdf ADDED
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1bux/1bux_protein_esmfold_aligned_tr_fix.pdb ADDED
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1bux/1bux_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fmb/1fmb_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1fmb_ligand
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+ 82 84 1 0 0
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+ $$$$
1fmb/1fmb_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fmb/1fmb_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1lee/1lee_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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+ ###
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+
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+ M END
368
+ $$$$
1nlo/1nlo_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,455 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-21
2
+ ATOM 1 N THR A 1 41.859 0.457 8.051 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 42.016 0.980 6.698 1.00 0.00 C
4
+ ATOM 3 C THR A 1 42.934 2.199 6.692 1.00 0.00 C
5
+ ATOM 4 CB THR A 1 40.654 1.356 6.084 1.00 0.00 C
6
+ ATOM 5 O THR A 1 42.860 3.042 7.587 1.00 0.00 O
7
+ ATOM 6 CG2 THR A 1 40.805 1.767 4.624 1.00 0.00 C
8
+ ATOM 7 OG1 THR A 1 39.773 0.229 6.164 1.00 0.00 O
9
+ ATOM 8 N PHE A 2 43.966 2.305 5.722 1.00 0.00 N
10
+ ATOM 9 CA PHE A 2 44.931 3.377 5.507 1.00 0.00 C
11
+ ATOM 10 C PHE A 2 44.719 4.031 4.147 1.00 0.00 C
12
+ ATOM 11 CB PHE A 2 46.363 2.842 5.614 1.00 0.00 C
13
+ ATOM 12 O PHE A 2 44.150 3.421 3.240 1.00 0.00 O
14
+ ATOM 13 CG PHE A 2 46.782 2.507 7.020 1.00 0.00 C
15
+ ATOM 14 CD1 PHE A 2 47.659 3.331 7.714 1.00 0.00 C
16
+ ATOM 15 CD2 PHE A 2 46.298 1.366 7.648 1.00 0.00 C
17
+ ATOM 16 CE1 PHE A 2 48.048 3.023 9.016 1.00 0.00 C
18
+ ATOM 17 CE2 PHE A 2 46.682 1.052 8.948 1.00 0.00 C
19
+ ATOM 18 CZ PHE A 2 47.558 1.882 9.630 1.00 0.00 C
20
+ ATOM 19 N VAL A 3 44.969 5.374 3.966 1.00 0.00 N
21
+ ATOM 20 CA VAL A 3 44.876 6.076 2.690 1.00 0.00 C
22
+ ATOM 21 C VAL A 3 46.271 6.488 2.225 1.00 0.00 C
23
+ ATOM 22 CB VAL A 3 43.960 7.317 2.789 1.00 0.00 C
24
+ ATOM 23 O VAL A 3 47.089 6.946 3.025 1.00 0.00 O
25
+ ATOM 24 CG1 VAL A 3 44.562 8.358 3.732 1.00 0.00 C
26
+ ATOM 25 CG2 VAL A 3 43.724 7.917 1.405 1.00 0.00 C
27
+ ATOM 26 N ALA A 4 46.560 6.280 0.901 1.00 0.00 N
28
+ ATOM 27 CA ALA A 4 47.822 6.682 0.286 1.00 0.00 C
29
+ ATOM 28 C ALA A 4 47.948 8.202 0.235 1.00 0.00 C
30
+ ATOM 29 CB ALA A 4 47.940 6.095 -1.119 1.00 0.00 C
31
+ ATOM 30 O ALA A 4 47.043 8.891 -0.242 1.00 0.00 O
32
+ ATOM 31 N LEU A 5 49.004 8.745 0.778 1.00 0.00 N
33
+ ATOM 32 CA LEU A 5 49.264 10.180 0.763 1.00 0.00 C
34
+ ATOM 33 C LEU A 5 49.976 10.590 -0.523 1.00 0.00 C
35
+ ATOM 34 CB LEU A 5 50.105 10.586 1.976 1.00 0.00 C
36
+ ATOM 35 O LEU A 5 49.903 11.749 -0.935 1.00 0.00 O
37
+ ATOM 36 CG LEU A 5 49.475 10.343 3.349 1.00 0.00 C
38
+ ATOM 37 CD1 LEU A 5 50.474 10.664 4.455 1.00 0.00 C
39
+ ATOM 38 CD2 LEU A 5 48.206 11.174 3.509 1.00 0.00 C
40
+ ATOM 39 N TYR A 6 50.780 9.726 -1.221 1.00 0.00 N
41
+ ATOM 40 CA TYR A 6 51.574 9.938 -2.425 1.00 0.00 C
42
+ ATOM 41 C TYR A 6 51.415 8.773 -3.395 1.00 0.00 C
43
+ ATOM 42 CB TYR A 6 53.053 10.121 -2.069 1.00 0.00 C
44
+ ATOM 43 O TYR A 6 51.043 7.668 -2.993 1.00 0.00 O
45
+ ATOM 44 CG TYR A 6 53.299 11.186 -1.027 1.00 0.00 C
46
+ ATOM 45 CD1 TYR A 6 53.254 12.538 -1.362 1.00 0.00 C
47
+ ATOM 46 CD2 TYR A 6 53.576 10.844 0.291 1.00 0.00 C
48
+ ATOM 47 CE1 TYR A 6 53.482 13.523 -0.407 1.00 0.00 C
49
+ ATOM 48 CE2 TYR A 6 53.804 11.821 1.256 1.00 0.00 C
50
+ ATOM 49 OH TYR A 6 53.981 14.126 1.847 1.00 0.00 O
51
+ ATOM 50 CZ TYR A 6 53.755 13.155 0.898 1.00 0.00 C
52
+ ATOM 51 N ASP A 7 51.709 9.016 -4.624 1.00 0.00 N
53
+ ATOM 52 CA ASP A 7 51.937 7.937 -5.580 1.00 0.00 C
54
+ ATOM 53 C ASP A 7 53.179 7.128 -5.211 1.00 0.00 C
55
+ ATOM 54 CB ASP A 7 52.074 8.495 -6.998 1.00 0.00 C
56
+ ATOM 55 O ASP A 7 54.146 7.676 -4.678 1.00 0.00 O
57
+ ATOM 56 CG ASP A 7 50.784 9.094 -7.528 1.00 0.00 C
58
+ ATOM 57 OD1 ASP A 7 49.727 8.938 -6.879 1.00 0.00 O
59
+ ATOM 58 OD2 ASP A 7 50.823 9.726 -8.606 1.00 0.00 O
60
+ ATOM 59 N TYR A 8 53.112 5.856 -5.502 1.00 0.00 N
61
+ ATOM 60 CA TYR A 8 54.296 5.019 -5.343 1.00 0.00 C
62
+ ATOM 61 C TYR A 8 54.416 4.022 -6.490 1.00 0.00 C
63
+ ATOM 62 CB TYR A 8 54.252 4.273 -4.006 1.00 0.00 C
64
+ ATOM 63 O TYR A 8 53.491 3.249 -6.748 1.00 0.00 O
65
+ ATOM 64 CG TYR A 8 55.496 3.470 -3.717 1.00 0.00 C
66
+ ATOM 65 CD1 TYR A 8 56.677 4.095 -3.321 1.00 0.00 C
67
+ ATOM 66 CD2 TYR A 8 55.496 2.084 -3.842 1.00 0.00 C
68
+ ATOM 67 CE1 TYR A 8 57.827 3.359 -3.056 1.00 0.00 C
69
+ ATOM 68 CE2 TYR A 8 56.640 1.339 -3.579 1.00 0.00 C
70
+ ATOM 69 OH TYR A 8 58.934 1.250 -2.927 1.00 0.00 O
71
+ ATOM 70 CZ TYR A 8 57.798 1.983 -3.188 1.00 0.00 C
72
+ ATOM 71 N GLU A 9 55.417 3.988 -7.158 1.00 0.00 N
73
+ ATOM 72 CA GLU A 9 55.725 3.020 -8.208 1.00 0.00 C
74
+ ATOM 73 C GLU A 9 56.645 1.919 -7.691 1.00 0.00 C
75
+ ATOM 74 CB GLU A 9 56.363 3.718 -9.411 1.00 0.00 C
76
+ ATOM 75 O GLU A 9 57.708 2.202 -7.132 1.00 0.00 O
77
+ ATOM 76 CG GLU A 9 56.493 2.830 -10.641 1.00 0.00 C
78
+ ATOM 77 CD GLU A 9 56.956 3.581 -11.879 1.00 0.00 C
79
+ ATOM 78 OE1 GLU A 9 57.122 4.819 -11.810 1.00 0.00 O
80
+ ATOM 79 OE2 GLU A 9 57.155 2.925 -12.925 1.00 0.00 O
81
+ ATOM 80 N SER A 10 56.228 0.693 -7.828 1.00 0.00 N
82
+ ATOM 81 CA SER A 10 56.986 -0.462 -7.360 1.00 0.00 C
83
+ ATOM 82 C SER A 10 58.378 -0.498 -7.981 1.00 0.00 C
84
+ ATOM 83 CB SER A 10 56.242 -1.758 -7.681 1.00 0.00 C
85
+ ATOM 84 O SER A 10 58.544 -0.191 -9.163 1.00 0.00 O
86
+ ATOM 85 OG SER A 10 56.357 -2.077 -9.057 1.00 0.00 O
87
+ ATOM 86 N ARG A 11 59.433 -0.815 -7.142 1.00 0.00 N
88
+ ATOM 87 CA ARG A 11 60.822 -0.911 -7.578 1.00 0.00 C
89
+ ATOM 88 C ARG A 11 61.294 -2.361 -7.587 1.00 0.00 C
90
+ ATOM 89 CB ARG A 11 61.729 -0.071 -6.677 1.00 0.00 C
91
+ ATOM 90 O ARG A 11 62.375 -2.665 -8.096 1.00 0.00 O
92
+ ATOM 91 CG ARG A 11 61.423 1.418 -6.711 1.00 0.00 C
93
+ ATOM 92 CD ARG A 11 62.326 2.202 -5.769 1.00 0.00 C
94
+ ATOM 93 NE ARG A 11 61.953 3.612 -5.712 1.00 0.00 N
95
+ ATOM 94 NH1 ARG A 11 63.494 4.169 -4.084 1.00 0.00 N
96
+ ATOM 95 NH2 ARG A 11 62.097 5.771 -4.943 1.00 0.00 N
97
+ ATOM 96 CZ ARG A 11 62.515 4.514 -4.913 1.00 0.00 C
98
+ ATOM 97 N THR A 12 60.565 -3.277 -7.004 1.00 0.00 N
99
+ ATOM 98 CA THR A 12 60.838 -4.710 -6.971 1.00 0.00 C
100
+ ATOM 99 C THR A 12 59.562 -5.509 -7.222 1.00 0.00 C
101
+ ATOM 100 CB THR A 12 61.452 -5.130 -5.623 1.00 0.00 C
102
+ ATOM 101 O THR A 12 58.460 -4.955 -7.193 1.00 0.00 O
103
+ ATOM 102 CG2 THR A 12 62.546 -4.158 -5.190 1.00 0.00 C
104
+ ATOM 103 OG1 THR A 12 60.426 -5.154 -4.623 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 59.698 -6.763 -7.521 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 58.547 -7.616 -7.802 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 57.646 -7.747 -6.577 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 59.004 -9.000 -8.269 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 56.468 -8.088 -6.699 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 59.630 -9.006 -9.655 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 59.953 -10.402 -10.162 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 59.745 -11.383 -9.413 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 60.420 -10.516 -11.317 1.00 0.00 O
114
+ ATOM 113 N THR A 14 58.156 -7.555 -5.381 1.00 0.00 N
115
+ ATOM 114 CA THR A 14 57.346 -7.806 -4.194 1.00 0.00 C
116
+ ATOM 115 C THR A 14 56.659 -6.526 -3.728 1.00 0.00 C
117
+ ATOM 116 CB THR A 14 58.198 -8.381 -3.048 1.00 0.00 C
118
+ ATOM 117 O THR A 14 55.833 -6.556 -2.812 1.00 0.00 O
119
+ ATOM 118 CG2 THR A 14 58.810 -9.723 -3.437 1.00 0.00 C
120
+ ATOM 119 OG1 THR A 14 59.250 -7.461 -2.735 1.00 0.00 O
121
+ ATOM 120 N ASP A 15 56.964 -5.299 -4.334 1.00 0.00 N
122
+ ATOM 121 CA ASP A 15 56.356 -4.034 -3.932 1.00 0.00 C
123
+ ATOM 122 C ASP A 15 54.948 -3.894 -4.504 1.00 0.00 C
124
+ ATOM 123 CB ASP A 15 57.225 -2.857 -4.378 1.00 0.00 C
125
+ ATOM 124 O ASP A 15 54.636 -4.470 -5.548 1.00 0.00 O
126
+ ATOM 125 CG ASP A 15 58.559 -2.795 -3.654 1.00 0.00 C
127
+ ATOM 126 OD1 ASP A 15 58.763 -3.558 -2.685 1.00 0.00 O
128
+ ATOM 127 OD2 ASP A 15 59.413 -1.975 -4.055 1.00 0.00 O
129
+ ATOM 128 N LEU A 16 54.148 -3.200 -3.924 1.00 0.00 N
130
+ ATOM 129 CA LEU A 16 52.831 -2.788 -4.392 1.00 0.00 C
131
+ ATOM 130 C LEU A 16 52.855 -1.345 -4.886 1.00 0.00 C
132
+ ATOM 131 CB LEU A 16 51.793 -2.940 -3.277 1.00 0.00 C
133
+ ATOM 132 O LEU A 16 53.271 -0.442 -4.157 1.00 0.00 O
134
+ ATOM 133 CG LEU A 16 50.346 -2.614 -3.648 1.00 0.00 C
135
+ ATOM 134 CD1 LEU A 16 49.802 -3.653 -4.624 1.00 0.00 C
136
+ ATOM 135 CD2 LEU A 16 49.475 -2.543 -2.398 1.00 0.00 C
137
+ ATOM 136 N SER A 17 52.505 -1.119 -6.123 1.00 0.00 N
138
+ ATOM 137 CA SER A 17 52.284 0.230 -6.633 1.00 0.00 C
139
+ ATOM 138 C SER A 17 50.920 0.764 -6.212 1.00 0.00 C
140
+ ATOM 139 CB SER A 17 52.400 0.253 -8.159 1.00 0.00 C
141
+ ATOM 140 O SER A 17 49.949 0.008 -6.132 1.00 0.00 O
142
+ ATOM 141 OG SER A 17 53.721 -0.057 -8.567 1.00 0.00 O
143
+ ATOM 142 N PHE A 18 50.772 1.949 -5.939 1.00 0.00 N
144
+ ATOM 143 CA PHE A 18 49.489 2.561 -5.614 1.00 0.00 C
145
+ ATOM 144 C PHE A 18 49.509 4.054 -5.919 1.00 0.00 C
146
+ ATOM 145 CB PHE A 18 49.140 2.331 -4.141 1.00 0.00 C
147
+ ATOM 146 O PHE A 18 50.579 4.656 -6.029 1.00 0.00 O
148
+ ATOM 147 CG PHE A 18 50.232 2.737 -3.188 1.00 0.00 C
149
+ ATOM 148 CD1 PHE A 18 51.135 1.797 -2.703 1.00 0.00 C
150
+ ATOM 149 CD2 PHE A 18 50.356 4.058 -2.777 1.00 0.00 C
151
+ ATOM 150 CE1 PHE A 18 52.147 2.170 -1.820 1.00 0.00 C
152
+ ATOM 151 CE2 PHE A 18 51.365 4.437 -1.896 1.00 0.00 C
153
+ ATOM 152 CZ PHE A 18 52.259 3.492 -1.418 1.00 0.00 C
154
+ ATOM 153 N LYS A 19 48.320 4.624 -6.147 1.00 0.00 N
155
+ ATOM 154 CA LYS A 19 48.112 6.039 -6.442 1.00 0.00 C
156
+ ATOM 155 C LYS A 19 47.645 6.795 -5.202 1.00 0.00 C
157
+ ATOM 156 CB LYS A 19 47.096 6.207 -7.572 1.00 0.00 C
158
+ ATOM 157 O LYS A 19 47.013 6.216 -4.316 1.00 0.00 O
159
+ ATOM 158 CG LYS A 19 47.544 5.615 -8.901 1.00 0.00 C
160
+ ATOM 159 CD LYS A 19 48.704 6.400 -9.500 1.00 0.00 C
161
+ ATOM 160 CE LYS A 19 48.993 5.967 -10.931 1.00 0.00 C
162
+ ATOM 161 NZ LYS A 19 50.179 6.677 -11.496 1.00 0.00 N
163
+ ATOM 162 N LYS A 20 47.948 8.116 -5.083 1.00 0.00 N
164
+ ATOM 163 CA LYS A 20 47.458 8.975 -4.009 1.00 0.00 C
165
+ ATOM 164 C LYS A 20 45.949 8.826 -3.832 1.00 0.00 C
166
+ ATOM 165 CB LYS A 20 47.812 10.436 -4.286 1.00 0.00 C
167
+ ATOM 166 O LYS A 20 45.197 8.882 -4.808 1.00 0.00 O
168
+ ATOM 167 CG LYS A 20 47.364 11.399 -3.196 1.00 0.00 C
169
+ ATOM 168 CD LYS A 20 47.698 12.842 -3.552 1.00 0.00 C
170
+ ATOM 169 CE LYS A 20 47.199 13.812 -2.490 1.00 0.00 C
171
+ ATOM 170 NZ LYS A 20 47.534 15.227 -2.830 1.00 0.00 N
172
+ ATOM 171 N GLY A 21 45.439 8.612 -2.633 1.00 0.00 N
173
+ ATOM 172 CA GLY A 21 44.021 8.520 -2.324 1.00 0.00 C
174
+ ATOM 173 C GLY A 21 43.519 7.090 -2.246 1.00 0.00 C
175
+ ATOM 174 O GLY A 21 42.405 6.842 -1.779 1.00 0.00 O
176
+ ATOM 175 N GLU A 22 44.235 6.217 -2.867 1.00 0.00 N
177
+ ATOM 176 CA GLU A 22 43.806 4.823 -2.809 1.00 0.00 C
178
+ ATOM 177 C GLU A 22 43.739 4.326 -1.367 1.00 0.00 C
179
+ ATOM 178 CB GLU A 22 44.747 3.935 -3.628 1.00 0.00 C
180
+ ATOM 179 O GLU A 22 44.541 4.736 -0.526 1.00 0.00 O
181
+ ATOM 180 CG GLU A 22 44.571 4.077 -5.133 1.00 0.00 C
182
+ ATOM 181 CD GLU A 22 45.184 2.930 -5.919 1.00 0.00 C
183
+ ATOM 182 OE1 GLU A 22 45.457 1.863 -5.323 1.00 0.00 O
184
+ ATOM 183 OE2 GLU A 22 45.393 3.099 -7.141 1.00 0.00 O
185
+ ATOM 184 N ARG A 23 42.795 3.460 -0.920 1.00 0.00 N
186
+ ATOM 185 CA ARG A 23 42.640 2.863 0.403 1.00 0.00 C
187
+ ATOM 186 C ARG A 23 43.362 1.523 0.488 1.00 0.00 C
188
+ ATOM 187 CB ARG A 23 41.159 2.683 0.740 1.00 0.00 C
189
+ ATOM 188 O ARG A 23 43.238 0.687 -0.410 1.00 0.00 O
190
+ ATOM 189 CG ARG A 23 40.388 3.988 0.851 1.00 0.00 C
191
+ ATOM 190 CD ARG A 23 38.918 3.751 1.171 1.00 0.00 C
192
+ ATOM 191 NE ARG A 23 38.738 3.230 2.524 1.00 0.00 N
193
+ ATOM 192 NH1 ARG A 23 36.456 2.934 2.328 1.00 0.00 N
194
+ ATOM 193 NH2 ARG A 23 37.523 2.395 4.284 1.00 0.00 N
195
+ ATOM 194 CZ ARG A 23 37.572 2.854 3.042 1.00 0.00 C
196
+ ATOM 195 N LEU A 24 44.103 1.265 1.530 1.00 0.00 N
197
+ ATOM 196 CA LEU A 24 44.968 0.106 1.717 1.00 0.00 C
198
+ ATOM 197 C LEU A 24 44.681 -0.577 3.050 1.00 0.00 C
199
+ ATOM 198 CB LEU A 24 46.440 0.521 1.650 1.00 0.00 C
200
+ ATOM 199 O LEU A 24 44.451 0.093 4.059 1.00 0.00 O
201
+ ATOM 200 CG LEU A 24 46.890 1.220 0.365 1.00 0.00 C
202
+ ATOM 201 CD1 LEU A 24 48.240 1.896 0.576 1.00 0.00 C
203
+ ATOM 202 CD2 LEU A 24 46.957 0.228 -0.789 1.00 0.00 C
204
+ ATOM 203 N GLN A 25 44.512 -1.874 3.064 1.00 0.00 N
205
+ ATOM 204 CA GLN A 25 44.505 -2.668 4.288 1.00 0.00 C
206
+ ATOM 205 C GLN A 25 45.896 -3.216 4.596 1.00 0.00 C
207
+ ATOM 206 CB GLN A 25 43.500 -3.816 4.179 1.00 0.00 C
208
+ ATOM 207 O GLN A 25 46.501 -3.892 3.762 1.00 0.00 O
209
+ ATOM 208 CG GLN A 25 43.349 -4.624 5.461 1.00 0.00 C
210
+ ATOM 209 CD GLN A 25 42.304 -5.718 5.344 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 25 41.997 -6.367 6.462 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 25 41.776 -5.977 4.258 1.00 0.00 O
213
+ ATOM 212 N ILE A 26 46.415 -2.878 5.821 1.00 0.00 N
214
+ ATOM 213 CA ILE A 26 47.720 -3.341 6.283 1.00 0.00 C
215
+ ATOM 214 C ILE A 26 47.598 -4.759 6.834 1.00 0.00 C
216
+ ATOM 215 CB ILE A 26 48.307 -2.396 7.357 1.00 0.00 C
217
+ ATOM 216 O ILE A 26 46.789 -5.018 7.728 1.00 0.00 O
218
+ ATOM 217 CG1 ILE A 26 48.342 -0.955 6.837 1.00 0.00 C
219
+ ATOM 218 CG2 ILE A 26 49.704 -2.861 7.778 1.00 0.00 C
220
+ ATOM 219 CD1 ILE A 26 49.164 -0.773 5.569 1.00 0.00 C
221
+ ATOM 220 N VAL A 27 48.173 -5.730 6.200 1.00 0.00 N
222
+ ATOM 221 CA VAL A 27 48.131 -7.144 6.556 1.00 0.00 C
223
+ ATOM 222 C VAL A 27 49.197 -7.444 7.608 1.00 0.00 C
224
+ ATOM 223 CB VAL A 27 48.335 -8.048 5.319 1.00 0.00 C
225
+ ATOM 224 O VAL A 27 48.966 -8.230 8.530 1.00 0.00 O
226
+ ATOM 225 CG1 VAL A 27 48.352 -9.521 5.723 1.00 0.00 C
227
+ ATOM 226 CG2 VAL A 27 47.244 -7.786 4.283 1.00 0.00 C
228
+ ATOM 227 N ASN A 28 50.467 -6.938 7.548 1.00 0.00 N
229
+ ATOM 228 CA ASN A 28 51.590 -7.162 8.450 1.00 0.00 C
230
+ ATOM 229 C ASN A 28 52.488 -5.932 8.546 1.00 0.00 C
231
+ ATOM 230 CB ASN A 28 52.404 -8.379 8.003 1.00 0.00 C
232
+ ATOM 231 O ASN A 28 52.970 -5.430 7.529 1.00 0.00 O
233
+ ATOM 232 CG ASN A 28 53.457 -8.782 9.015 1.00 0.00 C
234
+ ATOM 233 ND2 ASN A 28 54.193 -9.845 8.715 1.00 0.00 N
235
+ ATOM 234 OD1 ASN A 28 53.608 -8.143 10.060 1.00 0.00 O
236
+ ATOM 235 N ASN A 29 52.588 -5.322 9.800 1.00 0.00 N
237
+ ATOM 236 CA ASN A 29 53.457 -4.190 10.105 1.00 0.00 C
238
+ ATOM 237 C ASN A 29 54.519 -4.561 11.137 1.00 0.00 C
239
+ ATOM 238 CB ASN A 29 52.633 -2.997 10.597 1.00 0.00 C
240
+ ATOM 239 O ASN A 29 55.030 -3.693 11.847 1.00 0.00 O
241
+ ATOM 240 CG ASN A 29 51.896 -3.290 11.890 1.00 0.00 C
242
+ ATOM 241 ND2 ASN A 29 51.139 -2.314 12.375 1.00 0.00 N
243
+ ATOM 242 OD1 ASN A 29 52.008 -4.385 12.448 1.00 0.00 O
244
+ ATOM 243 N THR A 30 54.764 -5.935 11.522 1.00 0.00 N
245
+ ATOM 244 CA THR A 30 55.454 -6.319 12.748 1.00 0.00 C
246
+ ATOM 245 C THR A 30 56.946 -6.015 12.647 1.00 0.00 C
247
+ ATOM 246 CB THR A 30 55.252 -7.814 13.058 1.00 0.00 C
248
+ ATOM 247 O THR A 30 57.596 -5.726 13.654 1.00 0.00 O
249
+ ATOM 248 CG2 THR A 30 53.863 -8.073 13.634 1.00 0.00 C
250
+ ATOM 249 OG1 THR A 30 55.406 -8.571 11.852 1.00 0.00 O
251
+ ATOM 250 N GLU A 31 57.547 -5.598 11.513 1.00 0.00 N
252
+ ATOM 251 CA GLU A 31 58.979 -5.307 11.485 1.00 0.00 C
253
+ ATOM 252 C GLU A 31 59.363 -4.544 10.220 1.00 0.00 C
254
+ ATOM 253 CB GLU A 31 59.792 -6.600 11.586 1.00 0.00 C
255
+ ATOM 254 O GLU A 31 58.936 -4.901 9.120 1.00 0.00 O
256
+ ATOM 255 CG GLU A 31 59.862 -7.173 12.995 1.00 0.00 C
257
+ ATOM 256 CD GLU A 31 60.836 -8.335 13.121 1.00 0.00 C
258
+ ATOM 257 OE1 GLU A 31 61.418 -8.754 12.095 1.00 0.00 O
259
+ ATOM 258 OE2 GLU A 31 61.016 -8.830 14.255 1.00 0.00 O
260
+ ATOM 259 N GLY A 32 59.845 -3.284 10.484 1.00 0.00 N
261
+ ATOM 260 CA GLY A 32 60.576 -2.453 9.542 1.00 0.00 C
262
+ ATOM 261 C GLY A 32 59.710 -1.398 8.879 1.00 0.00 C
263
+ ATOM 262 O GLY A 32 58.647 -1.047 9.396 1.00 0.00 O
264
+ ATOM 263 N ASP A 33 60.309 -0.573 7.965 1.00 0.00 N
265
+ ATOM 264 CA ASP A 33 59.714 0.581 7.297 1.00 0.00 C
266
+ ATOM 265 C ASP A 33 58.810 0.144 6.147 1.00 0.00 C
267
+ ATOM 266 CB ASP A 33 60.804 1.524 6.781 1.00 0.00 C
268
+ ATOM 267 O ASP A 33 58.154 0.975 5.515 1.00 0.00 O
269
+ ATOM 268 CG ASP A 33 61.563 2.220 7.896 1.00 0.00 C
270
+ ATOM 269 OD1 ASP A 33 60.998 2.405 8.995 1.00 0.00 O
271
+ ATOM 270 OD2 ASP A 33 62.737 2.589 7.673 1.00 0.00 O
272
+ ATOM 271 N TRP A 34 58.755 -1.165 5.883 1.00 0.00 N
273
+ ATOM 272 CA TRP A 34 57.944 -1.676 4.783 1.00 0.00 C
274
+ ATOM 273 C TRP A 34 56.840 -2.592 5.299 1.00 0.00 C
275
+ ATOM 274 CB TRP A 34 58.819 -2.427 3.774 1.00 0.00 C
276
+ ATOM 275 O TRP A 34 57.109 -3.549 6.028 1.00 0.00 O
277
+ ATOM 276 CG TRP A 34 59.833 -1.564 3.085 1.00 0.00 C
278
+ ATOM 277 CD1 TRP A 34 61.049 -1.173 3.572 1.00 0.00 C
279
+ ATOM 278 CD2 TRP A 34 59.715 -0.981 1.784 1.00 0.00 C
280
+ ATOM 279 CE2 TRP A 34 60.899 -0.249 1.546 1.00 0.00 C
281
+ ATOM 280 CE3 TRP A 34 58.723 -1.007 0.796 1.00 0.00 C
282
+ ATOM 281 NE1 TRP A 34 61.696 -0.382 2.651 1.00 0.00 N
283
+ ATOM 282 CH2 TRP A 34 60.131 0.410 -0.594 1.00 0.00 C
284
+ ATOM 283 CZ2 TRP A 34 61.118 0.452 0.357 1.00 0.00 C
285
+ ATOM 284 CZ3 TRP A 34 58.942 -0.310 -0.387 1.00 0.00 C
286
+ ATOM 285 N TRP A 35 55.762 -2.299 4.969 1.00 0.00 N
287
+ ATOM 286 CA TRP A 35 54.586 -3.010 5.462 1.00 0.00 C
288
+ ATOM 287 C TRP A 35 53.924 -3.809 4.345 1.00 0.00 C
289
+ ATOM 288 CB TRP A 35 53.580 -2.028 6.070 1.00 0.00 C
290
+ ATOM 289 O TRP A 35 53.936 -3.392 3.184 1.00 0.00 O
291
+ ATOM 290 CG TRP A 35 54.031 -1.414 7.361 1.00 0.00 C
292
+ ATOM 291 CD1 TRP A 35 55.179 -1.694 8.050 1.00 0.00 C
293
+ ATOM 292 CD2 TRP A 35 53.340 -0.420 8.122 1.00 0.00 C
294
+ ATOM 293 CE2 TRP A 35 54.128 -0.142 9.261 1.00 0.00 C
295
+ ATOM 294 CE3 TRP A 35 52.129 0.266 7.951 1.00 0.00 C
296
+ ATOM 295 NE1 TRP A 35 55.243 -0.931 9.193 1.00 0.00 N
297
+ ATOM 296 CH2 TRP A 35 52.555 1.449 10.033 1.00 0.00 C
298
+ ATOM 297 CZ2 TRP A 35 53.743 0.794 10.224 1.00 0.00 C
299
+ ATOM 298 CZ3 TRP A 35 51.749 1.195 8.911 1.00 0.00 C
300
+ ATOM 299 N LEU A 36 53.474 -4.974 4.659 1.00 0.00 N
301
+ ATOM 300 CA LEU A 36 52.645 -5.718 3.717 1.00 0.00 C
302
+ ATOM 301 C LEU A 36 51.219 -5.178 3.702 1.00 0.00 C
303
+ ATOM 302 CB LEU A 36 52.635 -7.207 4.070 1.00 0.00 C
304
+ ATOM 303 O LEU A 36 50.582 -5.067 4.751 1.00 0.00 O
305
+ ATOM 304 CG LEU A 36 51.965 -8.140 3.060 1.00 0.00 C
306
+ ATOM 305 CD1 LEU A 36 52.715 -8.110 1.733 1.00 0.00 C
307
+ ATOM 306 CD2 LEU A 36 51.896 -9.562 3.608 1.00 0.00 C
308
+ ATOM 307 N ALA A 37 50.751 -4.904 2.492 1.00 0.00 N
309
+ ATOM 308 CA ALA A 37 49.456 -4.242 2.361 1.00 0.00 C
310
+ ATOM 309 C ALA A 37 48.629 -4.873 1.245 1.00 0.00 C
311
+ ATOM 310 CB ALA A 37 49.644 -2.750 2.101 1.00 0.00 C
312
+ ATOM 311 O ALA A 37 49.178 -5.504 0.337 1.00 0.00 O
313
+ ATOM 312 N HIS A 38 47.341 -4.776 1.345 1.00 0.00 N
314
+ ATOM 313 CA HIS A 38 46.358 -5.149 0.335 1.00 0.00 C
315
+ ATOM 314 C HIS A 38 45.555 -3.937 -0.126 1.00 0.00 C
316
+ ATOM 315 CB HIS A 38 45.418 -6.227 0.875 1.00 0.00 C
317
+ ATOM 316 O HIS A 38 44.920 -3.263 0.687 1.00 0.00 O
318
+ ATOM 317 CG HIS A 38 44.420 -6.712 -0.130 1.00 0.00 C
319
+ ATOM 318 CD2 HIS A 38 43.110 -6.418 -0.294 1.00 0.00 C
320
+ ATOM 319 ND1 HIS A 38 44.741 -7.616 -1.119 1.00 0.00 N
321
+ ATOM 320 CE1 HIS A 38 43.667 -7.858 -1.852 1.00 0.00 C
322
+ ATOM 321 NE2 HIS A 38 42.663 -7.143 -1.372 1.00 0.00 N
323
+ ATOM 322 N SER A 39 45.615 -3.580 -1.520 1.00 0.00 N
324
+ ATOM 323 CA SER A 39 44.846 -2.479 -2.090 1.00 0.00 C
325
+ ATOM 324 C SER A 39 43.374 -2.852 -2.240 1.00 0.00 C
326
+ ATOM 325 CB SER A 39 45.418 -2.071 -3.448 1.00 0.00 C
327
+ ATOM 326 O SER A 39 43.042 -3.832 -2.909 1.00 0.00 O
328
+ ATOM 327 OG SER A 39 44.538 -1.186 -4.119 1.00 0.00 O
329
+ ATOM 328 N LEU A 40 42.561 -2.120 -1.637 1.00 0.00 N
330
+ ATOM 329 CA LEU A 40 41.127 -2.318 -1.811 1.00 0.00 C
331
+ ATOM 330 C LEU A 40 40.671 -1.820 -3.179 1.00 0.00 C
332
+ ATOM 331 CB LEU A 40 40.348 -1.598 -0.708 1.00 0.00 C
333
+ ATOM 332 O LEU A 40 39.544 -2.090 -3.598 1.00 0.00 O
334
+ ATOM 333 CG LEU A 40 40.654 -2.026 0.729 1.00 0.00 C
335
+ ATOM 334 CD1 LEU A 40 39.917 -1.129 1.717 1.00 0.00 C
336
+ ATOM 335 CD2 LEU A 40 40.278 -3.489 0.942 1.00 0.00 C
337
+ ATOM 336 N THR A 41 41.470 -1.018 -3.931 1.00 0.00 N
338
+ ATOM 337 CA THR A 41 41.156 -0.466 -5.244 1.00 0.00 C
339
+ ATOM 338 C THR A 41 41.587 -1.424 -6.351 1.00 0.00 C
340
+ ATOM 339 CB THR A 41 41.834 0.901 -5.452 1.00 0.00 C
341
+ ATOM 340 O THR A 41 40.797 -1.752 -7.238 1.00 0.00 O
342
+ ATOM 341 CG2 THR A 41 41.434 1.516 -6.788 1.00 0.00 C
343
+ ATOM 342 OG1 THR A 41 41.443 1.787 -4.394 1.00 0.00 O
344
+ ATOM 343 N THR A 42 42.813 -1.924 -6.278 1.00 0.00 N
345
+ ATOM 344 CA THR A 42 43.342 -2.719 -7.381 1.00 0.00 C
346
+ ATOM 345 C THR A 42 43.281 -4.208 -7.052 1.00 0.00 C
347
+ ATOM 346 CB THR A 42 44.793 -2.321 -7.712 1.00 0.00 C
348
+ ATOM 347 O THR A 42 43.402 -5.051 -7.944 1.00 0.00 O
349
+ ATOM 348 CG2 THR A 42 44.905 -0.825 -7.980 1.00 0.00 C
350
+ ATOM 349 OG1 THR A 42 45.638 -2.662 -6.607 1.00 0.00 O
351
+ ATOM 350 N GLY A 43 43.123 -4.578 -5.692 1.00 0.00 N
352
+ ATOM 351 CA GLY A 43 43.098 -5.975 -5.288 1.00 0.00 C
353
+ ATOM 352 C GLY A 43 44.480 -6.586 -5.164 1.00 0.00 C
354
+ ATOM 353 O GLY A 43 44.615 -7.789 -4.932 1.00 0.00 O
355
+ ATOM 354 N GLN A 44 45.503 -5.909 -5.401 1.00 0.00 N
356
+ ATOM 355 CA GLN A 44 46.864 -6.435 -5.367 1.00 0.00 C
357
+ ATOM 356 C GLN A 44 47.455 -6.336 -3.963 1.00 0.00 C
358
+ ATOM 357 CB GLN A 44 47.753 -5.691 -6.364 1.00 0.00 C
359
+ ATOM 358 O GLN A 44 47.127 -5.420 -3.208 1.00 0.00 O
360
+ ATOM 359 CG GLN A 44 47.357 -5.902 -7.819 1.00 0.00 C
361
+ ATOM 360 CD GLN A 44 48.282 -5.193 -8.789 1.00 0.00 C
362
+ ATOM 361 NE2 GLN A 44 48.357 -5.699 -10.015 1.00 0.00 N
363
+ ATOM 362 OE1 GLN A 44 48.924 -4.198 -8.440 1.00 0.00 O
364
+ ATOM 363 N THR A 45 48.313 -7.234 -3.620 1.00 0.00 N
365
+ ATOM 364 CA THR A 45 49.028 -7.280 -2.349 1.00 0.00 C
366
+ ATOM 365 C THR A 45 50.529 -7.110 -2.567 1.00 0.00 C
367
+ ATOM 366 CB THR A 45 48.762 -8.601 -1.605 1.00 0.00 C
368
+ ATOM 367 O THR A 45 51.081 -7.620 -3.545 1.00 0.00 O
369
+ ATOM 368 CG2 THR A 45 49.532 -8.656 -0.290 1.00 0.00 C
370
+ ATOM 369 OG1 THR A 45 47.359 -8.712 -1.329 1.00 0.00 O
371
+ ATOM 370 N GLY A 46 51.175 -6.425 -1.746 1.00 0.00 N
372
+ ATOM 371 CA GLY A 46 52.619 -6.265 -1.755 1.00 0.00 C
373
+ ATOM 372 C GLY A 46 53.123 -5.332 -0.669 1.00 0.00 C
374
+ ATOM 373 O GLY A 46 52.338 -4.819 0.130 1.00 0.00 O
375
+ ATOM 374 N TYR A 47 54.360 -5.009 -0.594 1.00 0.00 N
376
+ ATOM 375 CA TYR A 47 54.987 -4.162 0.414 1.00 0.00 C
377
+ ATOM 376 C TYR A 47 54.879 -2.690 0.034 1.00 0.00 C
378
+ ATOM 377 CB TYR A 47 56.457 -4.546 0.601 1.00 0.00 C
379
+ ATOM 378 O TYR A 47 54.995 -2.336 -1.142 1.00 0.00 O
380
+ ATOM 379 CG TYR A 47 56.656 -5.841 1.351 1.00 0.00 C
381
+ ATOM 380 CD1 TYR A 47 56.604 -5.877 2.743 1.00 0.00 C
382
+ ATOM 381 CD2 TYR A 47 56.899 -7.029 0.670 1.00 0.00 C
383
+ ATOM 382 CE1 TYR A 47 56.788 -7.067 3.438 1.00 0.00 C
384
+ ATOM 383 CE2 TYR A 47 57.086 -8.225 1.356 1.00 0.00 C
385
+ ATOM 384 OH TYR A 47 57.212 -9.415 3.421 1.00 0.00 O
386
+ ATOM 385 CZ TYR A 47 57.028 -8.234 2.737 1.00 0.00 C
387
+ ATOM 386 N ILE A 48 54.799 -1.897 0.968 1.00 0.00 N
388
+ ATOM 387 CA ILE A 48 54.709 -0.451 0.798 1.00 0.00 C
389
+ ATOM 388 C ILE A 48 55.574 0.247 1.844 1.00 0.00 C
390
+ ATOM 389 CB ILE A 48 53.247 0.040 0.896 1.00 0.00 C
391
+ ATOM 390 O ILE A 48 55.784 -0.281 2.939 1.00 0.00 O
392
+ ATOM 391 CG1 ILE A 48 52.674 -0.264 2.286 1.00 0.00 C
393
+ ATOM 392 CG2 ILE A 48 52.389 -0.596 -0.201 1.00 0.00 C
394
+ ATOM 393 CD1 ILE A 48 51.352 0.434 2.576 1.00 0.00 C
395
+ ATOM 394 N PRO A 49 56.133 1.370 1.465 1.00 0.00 N
396
+ ATOM 395 CA PRO A 49 56.766 2.165 2.520 1.00 0.00 C
397
+ ATOM 396 C PRO A 49 55.762 2.692 3.543 1.00 0.00 C
398
+ ATOM 397 CB PRO A 49 57.419 3.316 1.752 1.00 0.00 C
399
+ ATOM 398 O PRO A 49 54.772 3.328 3.171 1.00 0.00 O
400
+ ATOM 399 CG PRO A 49 56.787 3.279 0.398 1.00 0.00 C
401
+ ATOM 400 CD PRO A 49 55.977 2.020 0.284 1.00 0.00 C
402
+ ATOM 401 N SER A 50 55.965 2.548 4.766 1.00 0.00 N
403
+ ATOM 402 CA SER A 50 54.991 2.829 5.817 1.00 0.00 C
404
+ ATOM 403 C SER A 50 54.701 4.322 5.917 1.00 0.00 C
405
+ ATOM 404 CB SER A 50 55.491 2.307 7.165 1.00 0.00 C
406
+ ATOM 405 O SER A 50 53.625 4.722 6.366 1.00 0.00 O
407
+ ATOM 406 OG SER A 50 56.700 2.948 7.535 1.00 0.00 O
408
+ ATOM 407 N ASN A 51 55.707 5.194 5.514 1.00 0.00 N
409
+ ATOM 408 CA ASN A 51 55.521 6.635 5.634 1.00 0.00 C
410
+ ATOM 409 C ASN A 51 54.737 7.199 4.453 1.00 0.00 C
411
+ ATOM 410 CB ASN A 51 56.872 7.342 5.761 1.00 0.00 C
412
+ ATOM 411 O ASN A 51 54.570 8.416 4.337 1.00 0.00 O
413
+ ATOM 412 CG ASN A 51 57.766 7.115 4.558 1.00 0.00 C
414
+ ATOM 413 ND2 ASN A 51 58.787 7.952 4.411 1.00 0.00 N
415
+ ATOM 414 OD1 ASN A 51 57.540 6.196 3.767 1.00 0.00 O
416
+ ATOM 415 N TYR A 52 54.236 6.434 3.529 1.00 0.00 N
417
+ ATOM 416 CA TYR A 52 53.451 6.890 2.388 1.00 0.00 C
418
+ ATOM 417 C TYR A 52 51.958 6.766 2.668 1.00 0.00 C
419
+ ATOM 418 CB TYR A 52 53.814 6.094 1.132 1.00 0.00 C
420
+ ATOM 419 O TYR A 52 51.131 7.047 1.797 1.00 0.00 O
421
+ ATOM 420 CG TYR A 52 55.008 6.643 0.389 1.00 0.00 C
422
+ ATOM 421 CD1 TYR A 52 55.861 7.567 0.988 1.00 0.00 C
423
+ ATOM 422 CD2 TYR A 52 55.285 6.241 -0.913 1.00 0.00 C
424
+ ATOM 423 CE1 TYR A 52 56.962 8.077 0.308 1.00 0.00 C
425
+ ATOM 424 CE2 TYR A 52 56.383 6.745 -1.604 1.00 0.00 C
426
+ ATOM 425 OH TYR A 52 58.302 8.162 -1.665 1.00 0.00 O
427
+ ATOM 426 CZ TYR A 52 57.214 7.661 -0.986 1.00 0.00 C
428
+ ATOM 427 N VAL A 53 51.604 6.260 3.943 1.00 0.00 N
429
+ ATOM 428 CA VAL A 53 50.187 6.032 4.209 1.00 0.00 C
430
+ ATOM 429 C VAL A 53 49.809 6.644 5.557 1.00 0.00 C
431
+ ATOM 430 CB VAL A 53 49.841 4.526 4.191 1.00 0.00 C
432
+ ATOM 431 O VAL A 53 50.672 6.859 6.412 1.00 0.00 O
433
+ ATOM 432 CG1 VAL A 53 50.124 3.923 2.817 1.00 0.00 C
434
+ ATOM 433 CG2 VAL A 53 50.624 3.787 5.274 1.00 0.00 C
435
+ ATOM 434 N ALA A 54 48.604 6.985 5.699 1.00 0.00 N
436
+ ATOM 435 CA ALA A 54 48.021 7.500 6.935 1.00 0.00 C
437
+ ATOM 436 C ALA A 54 46.704 6.799 7.255 1.00 0.00 C
438
+ ATOM 437 CB ALA A 54 47.807 9.008 6.833 1.00 0.00 C
439
+ ATOM 438 O ALA A 54 46.018 6.312 6.353 1.00 0.00 O
440
+ ATOM 439 N PRO A 55 46.335 6.571 8.605 1.00 0.00 N
441
+ ATOM 440 CA PRO A 55 45.025 6.017 8.952 1.00 0.00 C
442
+ ATOM 441 C PRO A 55 43.869 6.861 8.422 1.00 0.00 C
443
+ ATOM 442 CB PRO A 55 45.039 6.010 10.483 1.00 0.00 C
444
+ ATOM 443 O PRO A 55 43.974 8.089 8.358 1.00 0.00 O
445
+ ATOM 444 CG PRO A 55 46.477 6.182 10.852 1.00 0.00 C
446
+ ATOM 445 CD PRO A 55 47.174 6.905 9.735 1.00 0.00 C
447
+ ATOM 446 N SER A 56 42.893 6.294 7.939 1.00 0.00 N
448
+ ATOM 447 CA SER A 56 41.692 7.008 7.519 1.00 0.00 C
449
+ ATOM 448 C SER A 56 40.627 6.986 8.610 1.00 0.00 C
450
+ ATOM 449 CB SER A 56 41.130 6.402 6.233 1.00 0.00 C
451
+ ATOM 450 O SER A 56 40.517 6.014 9.358 1.00 0.00 O
452
+ ATOM 451 OG SER A 56 40.513 5.153 6.494 1.00 0.00 O
453
+ ATOM 452 OXT SER A 56 40.302 8.086 8.225 1.00 0.00 O
454
+ TER 453 SER A 56
455
+ END
1nlo/1nlo_protein_processed_fix.pdb ADDED
@@ -0,0 +1,877 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-21
2
+ ATOM 1 N THR A 1 43.051 -0.923 7.497 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 42.505 0.155 6.624 1.00 0.00 C
4
+ ATOM 3 C THR A 1 43.438 1.368 6.668 1.00 0.00 C
5
+ ATOM 4 O THR A 1 43.302 2.238 7.505 1.00 0.00 O
6
+ ATOM 5 CB THR A 1 41.116 0.561 7.124 1.00 0.00 C
7
+ ATOM 6 OG1 THR A 1 40.453 -0.580 7.651 1.00 0.00 O
8
+ ATOM 7 CG2 THR A 1 40.302 1.136 5.963 1.00 0.00 C
9
+ ATOM 8 HA THR A 1 42.439 -0.169 5.712 1.00 0.00 H
10
+ ATOM 9 HB THR A 1 41.205 1.233 7.818 1.00 0.00 H
11
+ ATOM 10 HG1 THR A 1 41.021 -1.162 7.862 1.00 0.00 H
12
+ ATOM 11 HG21 THR A 1 39.422 1.393 6.280 1.00 0.00 H
13
+ ATOM 12 HG22 THR A 1 40.756 1.914 5.604 1.00 0.00 H
14
+ ATOM 13 HG23 THR A 1 40.211 0.466 5.268 1.00 0.00 H
15
+ ATOM 14 N PHE A 2 44.387 1.429 5.774 1.00 0.00 N
16
+ ATOM 15 CA PHE A 2 45.332 2.582 5.764 1.00 0.00 C
17
+ ATOM 16 C PHE A 2 45.109 3.416 4.498 1.00 0.00 C
18
+ ATOM 17 O PHE A 2 44.307 3.074 3.652 1.00 0.00 O
19
+ ATOM 18 CB PHE A 2 46.771 2.057 5.783 1.00 0.00 C
20
+ ATOM 19 CG PHE A 2 47.188 1.766 7.206 1.00 0.00 C
21
+ ATOM 20 CD1 PHE A 2 46.355 1.013 8.042 1.00 0.00 C
22
+ ATOM 21 CD2 PHE A 2 48.408 2.253 7.690 1.00 0.00 C
23
+ ATOM 22 CE1 PHE A 2 46.743 0.746 9.361 1.00 0.00 C
24
+ ATOM 23 CE2 PHE A 2 48.795 1.987 9.009 1.00 0.00 C
25
+ ATOM 24 CZ PHE A 2 47.962 1.234 9.845 1.00 0.00 C
26
+ ATOM 25 H PHE A 2 44.524 0.839 5.163 1.00 0.00 H
27
+ ATOM 26 HA PHE A 2 45.177 3.136 6.545 1.00 0.00 H
28
+ ATOM 27 HB2 PHE A 2 46.838 1.252 5.246 1.00 0.00 H
29
+ ATOM 28 HB3 PHE A 2 47.369 2.712 5.389 1.00 0.00 H
30
+ ATOM 29 HD1 PHE A 2 45.544 0.690 7.722 1.00 0.00 H
31
+ ATOM 30 HD2 PHE A 2 48.962 2.753 7.135 1.00 0.00 H
32
+ ATOM 31 HE1 PHE A 2 46.190 0.244 9.915 1.00 0.00 H
33
+ ATOM 32 HE2 PHE A 2 49.606 2.311 9.330 1.00 0.00 H
34
+ ATOM 33 HZ PHE A 2 48.219 1.058 10.721 1.00 0.00 H
35
+ ATOM 34 N VAL A 3 45.815 4.507 4.361 1.00 0.00 N
36
+ ATOM 35 CA VAL A 3 45.645 5.361 3.149 1.00 0.00 C
37
+ ATOM 36 C VAL A 3 47.022 5.746 2.605 1.00 0.00 C
38
+ ATOM 37 O VAL A 3 47.883 6.194 3.334 1.00 0.00 O
39
+ ATOM 38 CB VAL A 3 44.873 6.628 3.519 1.00 0.00 C
40
+ ATOM 39 CG1 VAL A 3 44.723 7.515 2.282 1.00 0.00 C
41
+ ATOM 40 CG2 VAL A 3 43.487 6.244 4.041 1.00 0.00 C
42
+ ATOM 41 H VAL A 3 46.394 4.791 4.930 1.00 0.00 H
43
+ ATOM 42 HA VAL A 3 45.152 4.870 2.473 1.00 0.00 H
44
+ ATOM 43 HB VAL A 3 45.357 7.112 4.207 1.00 0.00 H
45
+ ATOM 44 HG11 VAL A 3 44.233 8.319 2.517 1.00 0.00 H
46
+ ATOM 45 HG12 VAL A 3 45.601 7.758 1.949 1.00 0.00 H
47
+ ATOM 46 HG13 VAL A 3 44.239 7.032 1.594 1.00 0.00 H
48
+ ATOM 47 HG21 VAL A 3 42.996 7.047 4.276 1.00 0.00 H
49
+ ATOM 48 HG22 VAL A 3 43.004 5.760 3.353 1.00 0.00 H
50
+ ATOM 49 HG23 VAL A 3 43.581 5.681 4.826 1.00 0.00 H
51
+ ATOM 50 N ALA A 4 47.241 5.572 1.331 1.00 0.00 N
52
+ ATOM 51 CA ALA A 4 48.568 5.924 0.754 1.00 0.00 C
53
+ ATOM 52 C ALA A 4 48.705 7.444 0.647 1.00 0.00 C
54
+ ATOM 53 O ALA A 4 48.240 8.053 -0.296 1.00 0.00 O
55
+ ATOM 54 CB ALA A 4 48.707 5.306 -0.639 1.00 0.00 C
56
+ ATOM 55 H ALA A 4 46.668 5.261 0.771 1.00 0.00 H
57
+ ATOM 56 HA ALA A 4 49.264 5.578 1.334 1.00 0.00 H
58
+ ATOM 57 HB1 ALA A 4 49.572 5.538 -1.011 1.00 0.00 H
59
+ ATOM 58 HB2 ALA A 4 48.631 4.341 -0.574 1.00 0.00 H
60
+ ATOM 59 HB3 ALA A 4 48.006 5.647 -1.216 1.00 0.00 H
61
+ ATOM 60 N LEU A 5 49.351 8.057 1.604 1.00 0.00 N
62
+ ATOM 61 CA LEU A 5 49.540 9.534 1.559 1.00 0.00 C
63
+ ATOM 62 C LEU A 5 49.887 9.954 0.133 1.00 0.00 C
64
+ ATOM 63 O LEU A 5 49.518 11.020 -0.318 1.00 0.00 O
65
+ ATOM 64 CB LEU A 5 50.689 9.925 2.491 1.00 0.00 C
66
+ ATOM 65 CG LEU A 5 50.209 9.894 3.942 1.00 0.00 C
67
+ ATOM 66 CD1 LEU A 5 51.413 10.006 4.880 1.00 0.00 C
68
+ ATOM 67 CD2 LEU A 5 49.261 11.070 4.187 1.00 0.00 C
69
+ ATOM 68 H LEU A 5 49.693 7.667 2.290 1.00 0.00 H
70
+ ATOM 69 HA LEU A 5 48.724 9.976 1.842 1.00 0.00 H
71
+ ATOM 70 HB2 LEU A 5 51.434 9.314 2.374 1.00 0.00 H
72
+ ATOM 71 HB3 LEU A 5 51.012 10.812 2.267 1.00 0.00 H
73
+ ATOM 72 HG LEU A 5 49.743 9.060 4.112 1.00 0.00 H
74
+ ATOM 73 HD11 LEU A 5 51.109 9.986 5.801 1.00 0.00 H
75
+ ATOM 74 HD12 LEU A 5 52.016 9.263 4.723 1.00 0.00 H
76
+ ATOM 75 HD13 LEU A 5 51.878 10.840 4.711 1.00 0.00 H
77
+ ATOM 76 HD21 LEU A 5 48.955 11.053 5.107 1.00 0.00 H
78
+ ATOM 77 HD22 LEU A 5 49.728 11.903 4.018 1.00 0.00 H
79
+ ATOM 78 HD23 LEU A 5 48.498 11.001 3.592 1.00 0.00 H
80
+ ATOM 79 N TYR A 6 50.604 9.127 -0.579 1.00 0.00 N
81
+ ATOM 80 CA TYR A 6 50.986 9.489 -1.972 1.00 0.00 C
82
+ ATOM 81 C TYR A 6 51.020 8.242 -2.852 1.00 0.00 C
83
+ ATOM 82 O TYR A 6 51.084 7.129 -2.370 1.00 0.00 O
84
+ ATOM 83 CB TYR A 6 52.381 10.112 -1.959 1.00 0.00 C
85
+ ATOM 84 CG TYR A 6 52.573 10.900 -0.690 1.00 0.00 C
86
+ ATOM 85 CD1 TYR A 6 51.838 12.068 -0.479 1.00 0.00 C
87
+ ATOM 86 CD2 TYR A 6 53.503 10.474 0.266 1.00 0.00 C
88
+ ATOM 87 CE1 TYR A 6 52.028 12.811 0.687 1.00 0.00 C
89
+ ATOM 88 CE2 TYR A 6 53.693 11.216 1.436 1.00 0.00 C
90
+ ATOM 89 CZ TYR A 6 52.955 12.387 1.647 1.00 0.00 C
91
+ ATOM 90 OH TYR A 6 53.143 13.123 2.798 1.00 0.00 O
92
+ ATOM 91 H TYR A 6 50.888 8.362 -0.307 1.00 0.00 H
93
+ ATOM 92 HA TYR A 6 50.334 10.115 -2.325 1.00 0.00 H
94
+ ATOM 93 HB2 TYR A 6 53.055 9.418 -2.024 1.00 0.00 H
95
+ ATOM 94 HB3 TYR A 6 52.494 10.690 -2.729 1.00 0.00 H
96
+ ATOM 95 HD1 TYR A 6 51.222 12.351 -1.115 1.00 0.00 H
97
+ ATOM 96 HD2 TYR A 6 53.994 9.698 0.123 1.00 0.00 H
98
+ ATOM 97 HE1 TYR A 6 51.538 13.589 0.827 1.00 0.00 H
99
+ ATOM 98 HE2 TYR A 6 54.308 10.932 2.073 1.00 0.00 H
100
+ ATOM 99 HH TYR A 6 53.704 12.736 3.290 1.00 0.00 H
101
+ ATOM 100 N ASP A 7 51.008 8.423 -4.145 1.00 0.00 N
102
+ ATOM 101 CA ASP A 7 51.071 7.249 -5.056 1.00 0.00 C
103
+ ATOM 102 C ASP A 7 52.464 6.635 -4.933 1.00 0.00 C
104
+ ATOM 103 O ASP A 7 53.457 7.283 -5.200 1.00 0.00 O
105
+ ATOM 104 CB ASP A 7 50.839 7.692 -6.506 1.00 0.00 C
106
+ ATOM 105 CG ASP A 7 49.597 8.585 -6.591 1.00 0.00 C
107
+ ATOM 106 OD1 ASP A 7 49.640 9.682 -6.061 1.00 0.00 O
108
+ ATOM 107 OD2 ASP A 7 48.626 8.156 -7.192 1.00 0.00 O
109
+ ATOM 108 H ASP A 7 50.965 9.189 -4.534 1.00 0.00 H
110
+ ATOM 109 HA ASP A 7 50.387 6.605 -4.816 1.00 0.00 H
111
+ ATOM 110 HB2 ASP A 7 51.615 8.173 -6.833 1.00 0.00 H
112
+ ATOM 111 HB3 ASP A 7 50.727 6.915 -7.075 1.00 0.00 H
113
+ ATOM 112 N TYR A 8 52.560 5.407 -4.512 1.00 0.00 N
114
+ ATOM 113 CA TYR A 8 53.908 4.799 -4.359 1.00 0.00 C
115
+ ATOM 114 C TYR A 8 54.272 3.985 -5.598 1.00 0.00 C
116
+ ATOM 115 O TYR A 8 53.522 3.139 -6.041 1.00 0.00 O
117
+ ATOM 116 CB TYR A 8 53.930 3.905 -3.121 1.00 0.00 C
118
+ ATOM 117 CG TYR A 8 55.146 3.021 -3.127 1.00 0.00 C
119
+ ATOM 118 CD1 TYR A 8 56.410 3.601 -3.109 1.00 0.00 C
120
+ ATOM 119 CD2 TYR A 8 55.008 1.630 -3.141 1.00 0.00 C
121
+ ATOM 120 CE1 TYR A 8 57.553 2.793 -3.106 1.00 0.00 C
122
+ ATOM 121 CE2 TYR A 8 56.146 0.816 -3.137 1.00 0.00 C
123
+ ATOM 122 CZ TYR A 8 57.421 1.398 -3.120 1.00 0.00 C
124
+ ATOM 123 OH TYR A 8 58.544 0.596 -3.118 1.00 0.00 O
125
+ ATOM 124 H TYR A 8 51.897 4.899 -4.308 1.00 0.00 H
126
+ ATOM 125 HA TYR A 8 54.561 5.508 -4.255 1.00 0.00 H
127
+ ATOM 126 HB2 TYR A 8 53.926 4.453 -2.320 1.00 0.00 H
128
+ ATOM 127 HB3 TYR A 8 53.128 3.360 -3.095 1.00 0.00 H
129
+ ATOM 128 HD1 TYR A 8 56.496 4.527 -3.099 1.00 0.00 H
130
+ ATOM 129 HD2 TYR A 8 54.161 1.246 -3.153 1.00 0.00 H
131
+ ATOM 130 HE1 TYR A 8 58.398 3.181 -3.095 1.00 0.00 H
132
+ ATOM 131 HE2 TYR A 8 56.057 -0.110 -3.146 1.00 0.00 H
133
+ ATOM 132 HH TYR A 8 58.588 0.177 -2.391 1.00 0.00 H
134
+ ATOM 133 N GLU A 9 55.430 4.230 -6.150 1.00 0.00 N
135
+ ATOM 134 CA GLU A 9 55.866 3.467 -7.352 1.00 0.00 C
136
+ ATOM 135 C GLU A 9 56.659 2.240 -6.895 1.00 0.00 C
137
+ ATOM 136 O GLU A 9 57.708 2.358 -6.295 1.00 0.00 O
138
+ ATOM 137 CB GLU A 9 56.753 4.352 -8.231 1.00 0.00 C
139
+ ATOM 138 CG GLU A 9 56.430 4.094 -9.705 1.00 0.00 C
140
+ ATOM 139 CD GLU A 9 56.910 5.276 -10.549 1.00 0.00 C
141
+ ATOM 140 OE1 GLU A 9 57.466 6.200 -9.979 1.00 0.00 O
142
+ ATOM 141 OE2 GLU A 9 56.713 5.237 -11.753 1.00 0.00 O
143
+ ATOM 142 H GLU A 9 55.990 4.819 -5.870 1.00 0.00 H
144
+ ATOM 143 HA GLU A 9 55.091 3.188 -7.864 1.00 0.00 H
145
+ ATOM 144 HB2 GLU A 9 56.607 5.287 -8.017 1.00 0.00 H
146
+ ATOM 145 HB3 GLU A 9 57.688 4.163 -8.057 1.00 0.00 H
147
+ ATOM 146 HG2 GLU A 9 56.860 3.277 -10.002 1.00 0.00 H
148
+ ATOM 147 HG3 GLU A 9 55.475 3.970 -9.819 1.00 0.00 H
149
+ ATOM 148 N SER A 10 56.163 1.065 -7.165 1.00 0.00 N
150
+ ATOM 149 CA SER A 10 56.880 -0.163 -6.739 1.00 0.00 C
151
+ ATOM 150 C SER A 10 58.376 -0.018 -7.024 1.00 0.00 C
152
+ ATOM 151 O SER A 10 58.779 0.452 -8.070 1.00 0.00 O
153
+ ATOM 152 CB SER A 10 56.321 -1.357 -7.509 1.00 0.00 C
154
+ ATOM 153 OG SER A 10 56.733 -1.277 -8.867 1.00 0.00 O
155
+ ATOM 154 H SER A 10 55.425 0.930 -7.586 1.00 0.00 H
156
+ ATOM 155 HA SER A 10 56.755 -0.299 -5.787 1.00 0.00 H
157
+ ATOM 156 HB2 SER A 10 56.635 -2.185 -7.114 1.00 0.00 H
158
+ ATOM 157 HB3 SER A 10 55.353 -1.365 -7.454 1.00 0.00 H
159
+ ATOM 158 HG SER A 10 56.427 -1.934 -9.292 1.00 0.00 H
160
+ ATOM 159 N ARG A 11 59.203 -0.424 -6.099 1.00 0.00 N
161
+ ATOM 160 CA ARG A 11 60.674 -0.318 -6.308 1.00 0.00 C
162
+ ATOM 161 C ARG A 11 61.225 -1.693 -6.690 1.00 0.00 C
163
+ ATOM 162 O ARG A 11 62.263 -1.808 -7.311 1.00 0.00 O
164
+ ATOM 163 CB ARG A 11 61.341 0.156 -5.014 1.00 0.00 C
165
+ ATOM 164 CG ARG A 11 61.008 1.631 -4.775 1.00 0.00 C
166
+ ATOM 165 CD ARG A 11 62.302 2.425 -4.587 1.00 0.00 C
167
+ ATOM 166 NE ARG A 11 62.187 3.736 -5.286 1.00 0.00 N
168
+ ATOM 167 CZ ARG A 11 63.254 4.454 -5.511 1.00 0.00 C
169
+ ATOM 168 NH1 ARG A 11 64.427 4.025 -5.127 1.00 0.00 N
170
+ ATOM 169 NH2 ARG A 11 63.149 5.603 -6.121 1.00 0.00 N
171
+ ATOM 170 H ARG A 11 58.966 -0.763 -5.345 1.00 0.00 H
172
+ ATOM 171 HA ARG A 11 60.859 0.318 -7.017 1.00 0.00 H
173
+ ATOM 172 HB2 ARG A 11 61.034 -0.380 -4.266 1.00 0.00 H
174
+ ATOM 173 HB3 ARG A 11 62.302 0.037 -5.072 1.00 0.00 H
175
+ ATOM 174 HG2 ARG A 11 60.507 1.985 -5.526 1.00 0.00 H
176
+ ATOM 175 HG3 ARG A 11 60.445 1.722 -3.990 1.00 0.00 H
177
+ ATOM 176 HD2 ARG A 11 62.472 2.565 -3.642 1.00 0.00 H
178
+ ATOM 177 HD3 ARG A 11 63.054 1.924 -4.940 1.00 0.00 H
179
+ ATOM 178 HE ARG A 11 61.417 4.020 -5.542 1.00 0.00 H
180
+ ATOM 179 HH11 ARG A 11 64.498 3.268 -4.725 1.00 0.00 H
181
+ ATOM 180 HH12 ARG A 11 65.128 4.500 -5.276 1.00 0.00 H
182
+ ATOM 181 HH21 ARG A 11 62.378 5.886 -6.374 1.00 0.00 H
183
+ ATOM 182 HH22 ARG A 11 63.851 6.077 -6.270 1.00 0.00 H
184
+ ATOM 183 N THR A 12 60.534 -2.737 -6.324 1.00 0.00 N
185
+ ATOM 184 CA THR A 12 61.011 -4.107 -6.663 1.00 0.00 C
186
+ ATOM 185 C THR A 12 59.823 -4.960 -7.109 1.00 0.00 C
187
+ ATOM 186 O THR A 12 58.717 -4.478 -7.245 1.00 0.00 O
188
+ ATOM 187 CB THR A 12 61.659 -4.741 -5.430 1.00 0.00 C
189
+ ATOM 188 OG1 THR A 12 60.644 -5.184 -4.541 1.00 0.00 O
190
+ ATOM 189 CG2 THR A 12 62.542 -3.708 -4.728 1.00 0.00 C
191
+ ATOM 190 H THR A 12 59.795 -2.706 -5.885 1.00 0.00 H
192
+ ATOM 191 HA THR A 12 61.662 -4.056 -7.380 1.00 0.00 H
193
+ ATOM 192 HB THR A 12 62.204 -5.496 -5.701 1.00 0.00 H
194
+ ATOM 193 HG1 THR A 12 60.017 -4.626 -4.531 1.00 0.00 H
195
+ ATOM 194 HG21 THR A 12 62.952 -4.110 -3.947 1.00 0.00 H
196
+ ATOM 195 HG22 THR A 12 63.234 -3.406 -5.337 1.00 0.00 H
197
+ ATOM 196 HG23 THR A 12 62.000 -2.951 -4.455 1.00 0.00 H
198
+ ATOM 197 N GLU A 13 60.043 -6.225 -7.336 1.00 0.00 N
199
+ ATOM 198 CA GLU A 13 58.925 -7.108 -7.771 1.00 0.00 C
200
+ ATOM 199 C GLU A 13 58.244 -7.708 -6.539 1.00 0.00 C
201
+ ATOM 200 O GLU A 13 57.704 -8.795 -6.585 1.00 0.00 O
202
+ ATOM 201 CB GLU A 13 59.479 -8.235 -8.646 1.00 0.00 C
203
+ ATOM 202 CG GLU A 13 58.393 -8.720 -9.608 1.00 0.00 C
204
+ ATOM 203 CD GLU A 13 58.887 -9.961 -10.354 1.00 0.00 C
205
+ ATOM 204 OE1 GLU A 13 58.779 -11.043 -9.801 1.00 0.00 O
206
+ ATOM 205 OE2 GLU A 13 59.366 -9.808 -11.466 1.00 0.00 O
207
+ ATOM 206 H GLU A 13 60.806 -6.613 -7.254 1.00 0.00 H
208
+ ATOM 207 HA GLU A 13 58.280 -6.591 -8.279 1.00 0.00 H
209
+ ATOM 208 HB2 GLU A 13 60.249 -7.920 -9.145 1.00 0.00 H
210
+ ATOM 209 HB3 GLU A 13 59.782 -8.969 -8.090 1.00 0.00 H
211
+ ATOM 210 HG2 GLU A 13 57.582 -8.927 -9.117 1.00 0.00 H
212
+ ATOM 211 HG3 GLU A 13 58.171 -8.018 -10.240 1.00 0.00 H
213
+ ATOM 212 N THR A 14 58.271 -7.011 -5.434 1.00 0.00 N
214
+ ATOM 213 CA THR A 14 57.632 -7.551 -4.200 1.00 0.00 C
215
+ ATOM 214 C THR A 14 56.634 -6.534 -3.632 1.00 0.00 C
216
+ ATOM 215 O THR A 14 55.754 -6.881 -2.872 1.00 0.00 O
217
+ ATOM 216 CB THR A 14 58.713 -7.834 -3.155 1.00 0.00 C
218
+ ATOM 217 OG1 THR A 14 59.984 -7.490 -3.690 1.00 0.00 O
219
+ ATOM 218 CG2 THR A 14 58.696 -9.318 -2.788 1.00 0.00 C
220
+ ATOM 219 H THR A 14 58.638 -6.238 -5.349 1.00 0.00 H
221
+ ATOM 220 HA THR A 14 57.160 -8.369 -4.420 1.00 0.00 H
222
+ ATOM 221 HB THR A 14 58.542 -7.306 -2.359 1.00 0.00 H
223
+ ATOM 222 HG1 THR A 14 60.109 -6.664 -3.606 1.00 0.00 H
224
+ ATOM 223 HG21 THR A 14 59.382 -9.496 -2.125 1.00 0.00 H
225
+ ATOM 224 HG22 THR A 14 57.828 -9.552 -2.424 1.00 0.00 H
226
+ ATOM 225 HG23 THR A 14 58.868 -9.850 -3.581 1.00 0.00 H
227
+ ATOM 226 N ASP A 15 56.764 -5.284 -3.986 1.00 0.00 N
228
+ ATOM 227 CA ASP A 15 55.819 -4.261 -3.450 1.00 0.00 C
229
+ ATOM 228 C ASP A 15 54.804 -3.876 -4.526 1.00 0.00 C
230
+ ATOM 229 O ASP A 15 55.024 -4.074 -5.704 1.00 0.00 O
231
+ ATOM 230 CB ASP A 15 56.592 -3.010 -3.024 1.00 0.00 C
232
+ ATOM 231 CG ASP A 15 57.995 -3.401 -2.561 1.00 0.00 C
233
+ ATOM 232 OD1 ASP A 15 58.844 -3.605 -3.414 1.00 0.00 O
234
+ ATOM 233 OD2 ASP A 15 58.197 -3.488 -1.361 1.00 0.00 O
235
+ ATOM 234 H ASP A 15 57.367 -4.984 -4.520 1.00 0.00 H
236
+ ATOM 235 HA ASP A 15 55.356 -4.635 -2.684 1.00 0.00 H
237
+ ATOM 236 HB2 ASP A 15 56.649 -2.387 -3.765 1.00 0.00 H
238
+ ATOM 237 HB3 ASP A 15 56.121 -2.557 -2.308 1.00 0.00 H
239
+ ATOM 238 N LEU A 16 53.698 -3.317 -4.124 1.00 0.00 N
240
+ ATOM 239 CA LEU A 16 52.666 -2.902 -5.112 1.00 0.00 C
241
+ ATOM 240 C LEU A 16 52.589 -1.375 -5.130 1.00 0.00 C
242
+ ATOM 241 O LEU A 16 52.600 -0.733 -4.099 1.00 0.00 O
243
+ ATOM 242 CB LEU A 16 51.306 -3.476 -4.706 1.00 0.00 C
244
+ ATOM 243 CG LEU A 16 51.071 -4.802 -5.431 1.00 0.00 C
245
+ ATOM 244 CD1 LEU A 16 49.672 -5.324 -5.099 1.00 0.00 C
246
+ ATOM 245 CD2 LEU A 16 51.185 -4.587 -6.941 1.00 0.00 C
247
+ ATOM 246 H LEU A 16 53.500 -3.159 -3.302 1.00 0.00 H
248
+ ATOM 247 HA LEU A 16 52.901 -3.233 -5.993 1.00 0.00 H
249
+ ATOM 248 HB2 LEU A 16 51.276 -3.612 -3.746 1.00 0.00 H
250
+ ATOM 249 HB3 LEU A 16 50.601 -2.847 -4.926 1.00 0.00 H
251
+ ATOM 250 HG LEU A 16 51.736 -5.447 -5.144 1.00 0.00 H
252
+ ATOM 251 HD11 LEU A 16 49.523 -6.165 -5.559 1.00 0.00 H
253
+ ATOM 252 HD12 LEU A 16 49.596 -5.461 -4.142 1.00 0.00 H
254
+ ATOM 253 HD13 LEU A 16 49.009 -4.677 -5.386 1.00 0.00 H
255
+ ATOM 254 HD21 LEU A 16 51.036 -5.428 -7.400 1.00 0.00 H
256
+ ATOM 255 HD22 LEU A 16 50.521 -3.941 -7.227 1.00 0.00 H
257
+ ATOM 256 HD23 LEU A 16 52.071 -4.255 -7.155 1.00 0.00 H
258
+ ATOM 257 N SER A 17 52.512 -0.784 -6.289 1.00 0.00 N
259
+ ATOM 258 CA SER A 17 52.439 0.702 -6.355 1.00 0.00 C
260
+ ATOM 259 C SER A 17 51.011 1.153 -6.058 1.00 0.00 C
261
+ ATOM 260 O SER A 17 50.059 0.619 -6.592 1.00 0.00 O
262
+ ATOM 261 CB SER A 17 52.832 1.177 -7.753 1.00 0.00 C
263
+ ATOM 262 OG SER A 17 53.163 0.054 -8.559 1.00 0.00 O
264
+ ATOM 263 H SER A 17 52.499 -1.188 -7.048 1.00 0.00 H
265
+ ATOM 264 HA SER A 17 53.047 1.081 -5.701 1.00 0.00 H
266
+ ATOM 265 HB2 SER A 17 52.101 1.671 -8.155 1.00 0.00 H
267
+ ATOM 266 HB3 SER A 17 53.588 1.783 -7.699 1.00 0.00 H
268
+ ATOM 267 HG SER A 17 53.378 0.314 -9.328 1.00 0.00 H
269
+ ATOM 268 N PHE A 18 50.847 2.139 -5.219 1.00 0.00 N
270
+ ATOM 269 CA PHE A 18 49.471 2.615 -4.914 1.00 0.00 C
271
+ ATOM 270 C PHE A 18 49.338 4.089 -5.298 1.00 0.00 C
272
+ ATOM 271 O PHE A 18 50.272 4.701 -5.774 1.00 0.00 O
273
+ ATOM 272 CB PHE A 18 49.148 2.432 -3.426 1.00 0.00 C
274
+ ATOM 273 CG PHE A 18 50.328 2.783 -2.548 1.00 0.00 C
275
+ ATOM 274 CD1 PHE A 18 50.675 4.122 -2.361 1.00 0.00 C
276
+ ATOM 275 CD2 PHE A 18 51.039 1.776 -1.880 1.00 0.00 C
277
+ ATOM 276 CE1 PHE A 18 51.733 4.462 -1.512 1.00 0.00 C
278
+ ATOM 277 CE2 PHE A 18 52.093 2.115 -1.025 1.00 0.00 C
279
+ ATOM 278 CZ PHE A 18 52.440 3.458 -0.839 1.00 0.00 C
280
+ ATOM 279 H PHE A 18 51.481 2.554 -4.812 1.00 0.00 H
281
+ ATOM 280 HA PHE A 18 48.841 2.088 -5.430 1.00 0.00 H
282
+ ATOM 281 HB2 PHE A 18 48.391 2.990 -3.188 1.00 0.00 H
283
+ ATOM 282 HB3 PHE A 18 48.885 1.513 -3.263 1.00 0.00 H
284
+ ATOM 283 HD1 PHE A 18 50.201 4.790 -2.802 1.00 0.00 H
285
+ ATOM 284 HD2 PHE A 18 50.810 0.883 -2.005 1.00 0.00 H
286
+ ATOM 285 HE1 PHE A 18 51.967 5.354 -1.394 1.00 0.00 H
287
+ ATOM 286 HE2 PHE A 18 52.563 1.448 -0.580 1.00 0.00 H
288
+ ATOM 287 HZ PHE A 18 53.139 3.683 -0.269 1.00 0.00 H
289
+ ATOM 288 N LYS A 19 48.177 4.660 -5.108 1.00 0.00 N
290
+ ATOM 289 CA LYS A 19 47.976 6.092 -5.473 1.00 0.00 C
291
+ ATOM 290 C LYS A 19 47.631 6.901 -4.220 1.00 0.00 C
292
+ ATOM 291 O LYS A 19 47.434 6.356 -3.152 1.00 0.00 O
293
+ ATOM 292 CB LYS A 19 46.831 6.205 -6.481 1.00 0.00 C
294
+ ATOM 293 CG LYS A 19 47.243 5.552 -7.800 1.00 0.00 C
295
+ ATOM 294 CD LYS A 19 46.006 5.347 -8.675 1.00 0.00 C
296
+ ATOM 295 CE LYS A 19 46.053 6.313 -9.860 1.00 0.00 C
297
+ ATOM 296 NZ LYS A 19 44.969 5.971 -10.824 1.00 0.00 N
298
+ ATOM 297 H LYS A 19 47.487 4.268 -4.777 1.00 0.00 H
299
+ ATOM 298 HA LYS A 19 48.792 6.440 -5.866 1.00 0.00 H
300
+ ATOM 299 HB2 LYS A 19 46.036 5.774 -6.131 1.00 0.00 H
301
+ ATOM 300 HB3 LYS A 19 46.607 7.137 -6.627 1.00 0.00 H
302
+ ATOM 301 HG2 LYS A 19 47.888 6.111 -8.261 1.00 0.00 H
303
+ ATOM 302 HG3 LYS A 19 47.675 4.701 -7.630 1.00 0.00 H
304
+ ATOM 303 HD2 LYS A 19 45.971 4.431 -8.993 1.00 0.00 H
305
+ ATOM 304 HD3 LYS A 19 45.201 5.497 -8.155 1.00 0.00 H
306
+ ATOM 305 HE2 LYS A 19 45.947 7.226 -9.550 1.00 0.00 H
307
+ ATOM 306 HE3 LYS A 19 46.917 6.261 -10.298 1.00 0.00 H
308
+ ATOM 307 HZ1 LYS A 19 45.194 6.255 -11.637 1.00 0.00 H
309
+ ATOM 308 HZ2 LYS A 19 44.853 5.089 -10.840 1.00 0.00 H
310
+ ATOM 309 HZ3 LYS A 19 44.212 6.365 -10.572 1.00 0.00 H
311
+ ATOM 310 N LYS A 20 47.551 8.198 -4.344 1.00 0.00 N
312
+ ATOM 311 CA LYS A 20 47.217 9.040 -3.161 1.00 0.00 C
313
+ ATOM 312 C LYS A 20 45.722 8.926 -2.863 1.00 0.00 C
314
+ ATOM 313 O LYS A 20 44.888 9.264 -3.679 1.00 0.00 O
315
+ ATOM 314 CB LYS A 20 47.569 10.500 -3.454 1.00 0.00 C
316
+ ATOM 315 CG LYS A 20 47.225 11.362 -2.238 1.00 0.00 C
317
+ ATOM 316 CD LYS A 20 46.429 12.589 -2.689 1.00 0.00 C
318
+ ATOM 317 CE LYS A 20 47.263 13.851 -2.463 1.00 0.00 C
319
+ ATOM 318 NZ LYS A 20 46.539 15.030 -3.015 1.00 0.00 N
320
+ ATOM 319 H LYS A 20 47.679 8.630 -5.077 1.00 0.00 H
321
+ ATOM 320 HA LYS A 20 47.726 8.735 -2.393 1.00 0.00 H
322
+ ATOM 321 HB2 LYS A 20 48.513 10.580 -3.662 1.00 0.00 H
323
+ ATOM 322 HB3 LYS A 20 47.080 10.811 -4.232 1.00 0.00 H
324
+ ATOM 323 HG2 LYS A 20 46.708 10.846 -1.600 1.00 0.00 H
325
+ ATOM 324 HG3 LYS A 20 48.037 11.640 -1.786 1.00 0.00 H
326
+ ATOM 325 HD2 LYS A 20 46.195 12.508 -3.627 1.00 0.00 H
327
+ ATOM 326 HD3 LYS A 20 45.597 12.647 -2.194 1.00 0.00 H
328
+ ATOM 327 HE2 LYS A 20 47.429 13.976 -1.515 1.00 0.00 H
329
+ ATOM 328 HE3 LYS A 20 48.128 13.760 -2.893 1.00 0.00 H
330
+ ATOM 329 HZ1 LYS A 20 47.126 15.658 -3.246 1.00 0.00 H
331
+ ATOM 330 HZ2 LYS A 20 46.072 14.783 -3.731 1.00 0.00 H
332
+ ATOM 331 HZ3 LYS A 20 45.986 15.355 -2.398 1.00 0.00 H
333
+ ATOM 332 N GLY A 21 45.375 8.451 -1.699 1.00 0.00 N
334
+ ATOM 333 CA GLY A 21 43.933 8.314 -1.351 1.00 0.00 C
335
+ ATOM 334 C GLY A 21 43.486 6.870 -1.583 1.00 0.00 C
336
+ ATOM 335 O GLY A 21 42.366 6.503 -1.290 1.00 0.00 O
337
+ ATOM 336 H GLY A 21 45.925 8.199 -1.088 1.00 0.00 H
338
+ ATOM 337 HA2 GLY A 21 43.789 8.562 -0.424 1.00 0.00 H
339
+ ATOM 338 HA3 GLY A 21 43.401 8.918 -1.892 1.00 0.00 H
340
+ ATOM 339 N GLU A 22 44.353 6.046 -2.107 1.00 0.00 N
341
+ ATOM 340 CA GLU A 22 43.970 4.628 -2.354 1.00 0.00 C
342
+ ATOM 341 C GLU A 22 43.980 3.863 -1.030 1.00 0.00 C
343
+ ATOM 342 O GLU A 22 44.910 3.958 -0.254 1.00 0.00 O
344
+ ATOM 343 CB GLU A 22 44.970 3.988 -3.319 1.00 0.00 C
345
+ ATOM 344 CG GLU A 22 44.506 2.572 -3.667 1.00 0.00 C
346
+ ATOM 345 CD GLU A 22 45.268 2.070 -4.895 1.00 0.00 C
347
+ ATOM 346 OE1 GLU A 22 46.465 2.298 -4.960 1.00 0.00 O
348
+ ATOM 347 OE2 GLU A 22 44.642 1.465 -5.750 1.00 0.00 O
349
+ ATOM 348 H GLU A 22 45.157 6.254 -2.332 1.00 0.00 H
350
+ ATOM 349 HA GLU A 22 43.082 4.596 -2.742 1.00 0.00 H
351
+ ATOM 350 HB2 GLU A 22 45.044 4.522 -4.125 1.00 0.00 H
352
+ ATOM 351 HB3 GLU A 22 45.852 3.960 -2.915 1.00 0.00 H
353
+ ATOM 352 HG2 GLU A 22 44.658 1.978 -2.915 1.00 0.00 H
354
+ ATOM 353 HG3 GLU A 22 43.552 2.568 -3.843 1.00 0.00 H
355
+ ATOM 354 N ARG A 23 42.951 3.107 -0.764 1.00 0.00 N
356
+ ATOM 355 CA ARG A 23 42.904 2.338 0.511 1.00 0.00 C
357
+ ATOM 356 C ARG A 23 43.812 1.112 0.400 1.00 0.00 C
358
+ ATOM 357 O ARG A 23 43.933 0.510 -0.648 1.00 0.00 O
359
+ ATOM 358 CB ARG A 23 41.468 1.886 0.783 1.00 0.00 C
360
+ ATOM 359 CG ARG A 23 40.594 3.108 1.075 1.00 0.00 C
361
+ ATOM 360 CD ARG A 23 39.185 2.868 0.530 1.00 0.00 C
362
+ ATOM 361 NE ARG A 23 38.255 3.892 1.084 1.00 0.00 N
363
+ ATOM 362 CZ ARG A 23 38.307 5.125 0.656 1.00 0.00 C
364
+ ATOM 363 NH1 ARG A 23 39.174 5.466 -0.259 1.00 0.00 N
365
+ ATOM 364 NH2 ARG A 23 37.490 6.018 1.143 1.00 0.00 N
366
+ ATOM 365 H ARG A 23 42.269 3.007 -1.278 1.00 0.00 H
367
+ ATOM 366 HA ARG A 23 43.208 2.902 1.239 1.00 0.00 H
368
+ ATOM 367 HB2 ARG A 23 41.120 1.403 0.017 1.00 0.00 H
369
+ ATOM 368 HB3 ARG A 23 41.448 1.275 1.536 1.00 0.00 H
370
+ ATOM 369 HG2 ARG A 23 40.558 3.272 2.030 1.00 0.00 H
371
+ ATOM 370 HG3 ARG A 23 40.979 3.899 0.666 1.00 0.00 H
372
+ ATOM 371 HD2 ARG A 23 39.191 2.913 -0.439 1.00 0.00 H
373
+ ATOM 372 HD3 ARG A 23 38.882 1.978 0.771 1.00 0.00 H
374
+ ATOM 373 HE ARG A 23 37.683 3.671 1.687 1.00 0.00 H
375
+ ATOM 374 HH11 ARG A 23 39.713 4.878 -0.581 1.00 0.00 H
376
+ ATOM 375 HH12 ARG A 23 39.206 6.278 -0.539 1.00 0.00 H
377
+ ATOM 376 HH21 ARG A 23 36.918 5.795 1.745 1.00 0.00 H
378
+ ATOM 377 HH22 ARG A 23 37.523 6.830 0.862 1.00 0.00 H
379
+ ATOM 378 N LEU A 24 44.451 0.737 1.474 1.00 0.00 N
380
+ ATOM 379 CA LEU A 24 45.350 -0.450 1.429 1.00 0.00 C
381
+ ATOM 380 C LEU A 24 45.132 -1.301 2.681 1.00 0.00 C
382
+ ATOM 381 O LEU A 24 45.347 -0.856 3.791 1.00 0.00 O
383
+ ATOM 382 CB LEU A 24 46.807 0.016 1.378 1.00 0.00 C
384
+ ATOM 383 CG LEU A 24 47.115 0.583 -0.008 1.00 0.00 C
385
+ ATOM 384 CD1 LEU A 24 47.786 1.950 0.138 1.00 0.00 C
386
+ ATOM 385 CD2 LEU A 24 48.056 -0.369 -0.750 1.00 0.00 C
387
+ ATOM 386 H LEU A 24 44.399 1.128 2.238 1.00 0.00 H
388
+ ATOM 387 HA LEU A 24 45.151 -0.977 0.640 1.00 0.00 H
389
+ ATOM 388 HB2 LEU A 24 46.964 0.691 2.056 1.00 0.00 H
390
+ ATOM 389 HB3 LEU A 24 47.401 -0.726 1.573 1.00 0.00 H
391
+ ATOM 390 HG LEU A 24 46.290 0.679 -0.509 1.00 0.00 H
392
+ ATOM 391 HD11 LEU A 24 47.982 2.310 -0.741 1.00 0.00 H
393
+ ATOM 392 HD12 LEU A 24 47.191 2.554 0.609 1.00 0.00 H
394
+ ATOM 393 HD13 LEU A 24 48.611 1.854 0.638 1.00 0.00 H
395
+ ATOM 394 HD21 LEU A 24 48.252 -0.010 -1.630 1.00 0.00 H
396
+ ATOM 395 HD22 LEU A 24 48.881 -0.465 -0.249 1.00 0.00 H
397
+ ATOM 396 HD23 LEU A 24 47.632 -1.237 -0.842 1.00 0.00 H
398
+ ATOM 397 N GLN A 25 44.705 -2.522 2.513 1.00 0.00 N
399
+ ATOM 398 CA GLN A 25 44.473 -3.399 3.695 1.00 0.00 C
400
+ ATOM 399 C GLN A 25 45.819 -3.838 4.275 1.00 0.00 C
401
+ ATOM 400 O GLN A 25 46.370 -4.850 3.891 1.00 0.00 O
402
+ ATOM 401 CB GLN A 25 43.672 -4.630 3.265 1.00 0.00 C
403
+ ATOM 402 CG GLN A 25 42.210 -4.461 3.683 1.00 0.00 C
404
+ ATOM 403 CD GLN A 25 41.592 -5.835 3.948 1.00 0.00 C
405
+ ATOM 404 OE1 GLN A 25 41.519 -6.663 3.061 1.00 0.00 O
406
+ ATOM 405 NE2 GLN A 25 41.140 -6.115 5.140 1.00 0.00 N
407
+ ATOM 406 H GLN A 25 44.538 -2.883 1.751 1.00 0.00 H
408
+ ATOM 407 HA GLN A 25 43.976 -2.911 4.370 1.00 0.00 H
409
+ ATOM 408 HB2 GLN A 25 43.732 -4.747 2.304 1.00 0.00 H
410
+ ATOM 409 HB3 GLN A 25 44.044 -5.428 3.672 1.00 0.00 H
411
+ ATOM 410 HG2 GLN A 25 42.153 -3.911 4.480 1.00 0.00 H
412
+ ATOM 411 HG3 GLN A 25 41.715 -4.002 2.986 1.00 0.00 H
413
+ ATOM 412 HE21 GLN A 25 41.191 -5.530 5.768 1.00 0.00 H
414
+ ATOM 413 HE22 GLN A 25 40.791 -6.885 5.298 1.00 0.00 H
415
+ ATOM 414 N ILE A 26 46.353 -3.085 5.198 1.00 0.00 N
416
+ ATOM 415 CA ILE A 26 47.663 -3.461 5.800 1.00 0.00 C
417
+ ATOM 416 C ILE A 26 47.622 -4.929 6.227 1.00 0.00 C
418
+ ATOM 417 O ILE A 26 46.577 -5.469 6.533 1.00 0.00 O
419
+ ATOM 418 CB ILE A 26 47.938 -2.579 7.020 1.00 0.00 C
420
+ ATOM 419 CG1 ILE A 26 48.262 -1.157 6.555 1.00 0.00 C
421
+ ATOM 420 CG2 ILE A 26 49.125 -3.143 7.805 1.00 0.00 C
422
+ ATOM 421 CD1 ILE A 26 49.606 -1.152 5.823 1.00 0.00 C
423
+ ATOM 422 H ILE A 26 46.004 -2.361 5.504 1.00 0.00 H
424
+ ATOM 423 HA ILE A 26 48.369 -3.334 5.147 1.00 0.00 H
425
+ ATOM 424 HB ILE A 26 47.154 -2.564 7.591 1.00 0.00 H
426
+ ATOM 425 HG12 ILE A 26 47.562 -0.831 5.968 1.00 0.00 H
427
+ ATOM 426 HG13 ILE A 26 48.296 -0.557 7.317 1.00 0.00 H
428
+ ATOM 427 HG21 ILE A 26 49.298 -2.583 8.578 1.00 0.00 H
429
+ ATOM 428 HG22 ILE A 26 48.920 -4.044 8.099 1.00 0.00 H
430
+ ATOM 429 HG23 ILE A 26 49.911 -3.160 7.236 1.00 0.00 H
431
+ ATOM 430 HD11 ILE A 26 49.811 -0.251 5.528 1.00 0.00 H
432
+ ATOM 431 HD12 ILE A 26 50.303 -1.462 6.423 1.00 0.00 H
433
+ ATOM 432 HD13 ILE A 26 49.558 -1.740 5.053 1.00 0.00 H
434
+ ATOM 433 N VAL A 27 48.751 -5.579 6.250 1.00 0.00 N
435
+ ATOM 434 CA VAL A 27 48.779 -7.012 6.659 1.00 0.00 C
436
+ ATOM 435 C VAL A 27 49.815 -7.199 7.765 1.00 0.00 C
437
+ ATOM 436 O VAL A 27 49.483 -7.416 8.913 1.00 0.00 O
438
+ ATOM 437 CB VAL A 27 49.151 -7.880 5.455 1.00 0.00 C
439
+ ATOM 438 CG1 VAL A 27 49.196 -9.349 5.879 1.00 0.00 C
440
+ ATOM 439 CG2 VAL A 27 48.103 -7.700 4.354 1.00 0.00 C
441
+ ATOM 440 H VAL A 27 49.515 -5.243 6.042 1.00 0.00 H
442
+ ATOM 441 HA VAL A 27 47.904 -7.275 6.985 1.00 0.00 H
443
+ ATOM 442 HB VAL A 27 50.022 -7.613 5.121 1.00 0.00 H
444
+ ATOM 443 HG11 VAL A 27 49.432 -9.899 5.116 1.00 0.00 H
445
+ ATOM 444 HG12 VAL A 27 49.859 -9.464 6.577 1.00 0.00 H
446
+ ATOM 445 HG13 VAL A 27 48.326 -9.616 6.213 1.00 0.00 H
447
+ ATOM 446 HG21 VAL A 27 48.338 -8.250 3.590 1.00 0.00 H
448
+ ATOM 447 HG22 VAL A 27 47.233 -7.967 4.689 1.00 0.00 H
449
+ ATOM 448 HG23 VAL A 27 48.073 -6.769 4.084 1.00 0.00 H
450
+ ATOM 449 N ASN A 28 51.068 -7.109 7.426 1.00 0.00 N
451
+ ATOM 450 CA ASN A 28 52.132 -7.274 8.454 1.00 0.00 C
452
+ ATOM 451 C ASN A 28 52.900 -5.960 8.600 1.00 0.00 C
453
+ ATOM 452 O ASN A 28 53.529 -5.493 7.670 1.00 0.00 O
454
+ ATOM 453 CB ASN A 28 53.093 -8.383 8.024 1.00 0.00 C
455
+ ATOM 454 CG ASN A 28 53.102 -9.487 9.083 1.00 0.00 C
456
+ ATOM 455 OD1 ASN A 28 52.218 -9.555 9.913 1.00 0.00 O
457
+ ATOM 456 ND2 ASN A 28 54.071 -10.361 9.089 1.00 0.00 N
458
+ ATOM 457 H ASN A 28 51.351 -6.956 6.628 1.00 0.00 H
459
+ ATOM 458 HA ASN A 28 51.729 -7.512 9.304 1.00 0.00 H
460
+ ATOM 459 HB2 ASN A 28 52.821 -8.746 7.167 1.00 0.00 H
461
+ ATOM 460 HB3 ASN A 28 53.987 -8.024 7.909 1.00 0.00 H
462
+ ATOM 461 HD21 ASN A 28 54.084 -10.985 9.681 1.00 0.00 H
463
+ ATOM 462 HD22 ASN A 28 54.697 -10.313 8.501 1.00 0.00 H
464
+ ATOM 463 N ASN A 29 52.850 -5.358 9.756 1.00 0.00 N
465
+ ATOM 464 CA ASN A 29 53.573 -4.072 9.959 1.00 0.00 C
466
+ ATOM 465 C ASN A 29 54.639 -4.247 11.043 1.00 0.00 C
467
+ ATOM 466 O ASN A 29 54.815 -3.400 11.896 1.00 0.00 O
468
+ ATOM 467 CB ASN A 29 52.578 -2.992 10.390 1.00 0.00 C
469
+ ATOM 468 CG ASN A 29 51.587 -3.583 11.394 1.00 0.00 C
470
+ ATOM 469 OD1 ASN A 29 50.779 -4.421 11.046 1.00 0.00 O
471
+ ATOM 470 ND2 ASN A 29 51.615 -3.180 12.635 1.00 0.00 N
472
+ ATOM 471 H ASN A 29 52.419 -5.648 10.442 1.00 0.00 H
473
+ ATOM 472 HA ASN A 29 54.000 -3.807 9.129 1.00 0.00 H
474
+ ATOM 473 HB2 ASN A 29 53.050 -2.244 10.789 1.00 0.00 H
475
+ ATOM 474 HB3 ASN A 29 52.104 -2.648 9.617 1.00 0.00 H
476
+ ATOM 475 HD21 ASN A 29 51.062 -3.508 13.206 1.00 0.00 H
477
+ ATOM 476 HD22 ASN A 29 52.187 -2.587 12.882 1.00 0.00 H
478
+ ATOM 477 N THR A 30 55.351 -5.341 11.019 1.00 0.00 N
479
+ ATOM 478 CA THR A 30 56.403 -5.568 12.051 1.00 0.00 C
480
+ ATOM 479 C THR A 30 57.736 -5.885 11.367 1.00 0.00 C
481
+ ATOM 480 O THR A 30 58.764 -5.982 12.008 1.00 0.00 O
482
+ ATOM 481 CB THR A 30 55.998 -6.744 12.943 1.00 0.00 C
483
+ ATOM 482 OG1 THR A 30 56.974 -6.923 13.959 1.00 0.00 O
484
+ ATOM 483 CG2 THR A 30 55.897 -8.015 12.098 1.00 0.00 C
485
+ ATOM 484 H THR A 30 55.266 -5.970 10.438 1.00 0.00 H
486
+ ATOM 485 HA THR A 30 56.500 -4.768 12.591 1.00 0.00 H
487
+ ATOM 486 HB THR A 30 55.137 -6.561 13.351 1.00 0.00 H
488
+ ATOM 487 HG1 THR A 30 56.828 -7.644 14.364 1.00 0.00 H
489
+ ATOM 488 HG21 THR A 30 55.640 -8.760 12.663 1.00 0.00 H
490
+ ATOM 489 HG22 THR A 30 55.230 -7.891 11.405 1.00 0.00 H
491
+ ATOM 490 HG23 THR A 30 56.757 -8.201 11.689 1.00 0.00 H
492
+ ATOM 491 N GLU A 31 57.730 -6.047 10.072 1.00 0.00 N
493
+ ATOM 492 CA GLU A 31 58.998 -6.359 9.354 1.00 0.00 C
494
+ ATOM 493 C GLU A 31 59.947 -5.163 9.451 1.00 0.00 C
495
+ ATOM 494 O GLU A 31 61.153 -5.311 9.416 1.00 0.00 O
496
+ ATOM 495 CB GLU A 31 58.692 -6.649 7.882 1.00 0.00 C
497
+ ATOM 496 CG GLU A 31 59.952 -7.178 7.191 1.00 0.00 C
498
+ ATOM 497 CD GLU A 31 60.217 -8.616 7.642 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 31 59.399 -9.470 7.343 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 31 61.235 -8.838 8.277 1.00 0.00 O
501
+ ATOM 500 H GLU A 31 57.032 -5.988 9.573 1.00 0.00 H
502
+ ATOM 501 HA GLU A 31 59.415 -7.136 9.757 1.00 0.00 H
503
+ ATOM 502 HB2 GLU A 31 57.976 -7.300 7.813 1.00 0.00 H
504
+ ATOM 503 HB3 GLU A 31 58.385 -5.842 7.441 1.00 0.00 H
505
+ ATOM 504 HG2 GLU A 31 59.842 -7.146 6.228 1.00 0.00 H
506
+ ATOM 505 HG3 GLU A 31 60.712 -6.616 7.408 1.00 0.00 H
507
+ ATOM 506 N GLY A 32 59.413 -3.979 9.575 1.00 0.00 N
508
+ ATOM 507 CA GLY A 32 60.285 -2.775 9.675 1.00 0.00 C
509
+ ATOM 508 C GLY A 32 59.552 -1.563 9.098 1.00 0.00 C
510
+ ATOM 509 O GLY A 32 58.445 -1.251 9.489 1.00 0.00 O
511
+ ATOM 510 H GLY A 32 58.568 -3.823 9.606 1.00 0.00 H
512
+ ATOM 511 HA2 GLY A 32 60.521 -2.611 10.601 1.00 0.00 H
513
+ ATOM 512 HA3 GLY A 32 61.114 -2.923 9.193 1.00 0.00 H
514
+ ATOM 513 N ASP A 33 60.160 -0.878 8.169 1.00 0.00 N
515
+ ATOM 514 CA ASP A 33 59.497 0.313 7.567 1.00 0.00 C
516
+ ATOM 515 C ASP A 33 58.675 -0.119 6.351 1.00 0.00 C
517
+ ATOM 516 O ASP A 33 58.120 0.698 5.643 1.00 0.00 O
518
+ ATOM 517 CB ASP A 33 60.561 1.322 7.130 1.00 0.00 C
519
+ ATOM 518 CG ASP A 33 61.236 1.921 8.365 1.00 0.00 C
520
+ ATOM 519 OD1 ASP A 33 60.606 2.730 9.026 1.00 0.00 O
521
+ ATOM 520 OD2 ASP A 33 62.371 1.560 8.629 1.00 0.00 O
522
+ ATOM 521 H ASP A 33 60.942 -1.058 7.859 1.00 0.00 H
523
+ ATOM 522 HA ASP A 33 58.912 0.723 8.223 1.00 0.00 H
524
+ ATOM 523 HB2 ASP A 33 61.221 0.887 6.568 1.00 0.00 H
525
+ ATOM 524 HB3 ASP A 33 60.155 2.025 6.599 1.00 0.00 H
526
+ ATOM 525 N TRP A 34 58.591 -1.397 6.100 1.00 0.00 N
527
+ ATOM 526 CA TRP A 34 57.804 -1.876 4.930 1.00 0.00 C
528
+ ATOM 527 C TRP A 34 56.764 -2.896 5.398 1.00 0.00 C
529
+ ATOM 528 O TRP A 34 57.090 -3.905 5.993 1.00 0.00 O
530
+ ATOM 529 CB TRP A 34 58.747 -2.523 3.912 1.00 0.00 C
531
+ ATOM 530 CG TRP A 34 59.559 -1.458 3.245 1.00 0.00 C
532
+ ATOM 531 CD1 TRP A 34 60.622 -0.830 3.800 1.00 0.00 C
533
+ ATOM 532 CD2 TRP A 34 59.392 -0.884 1.916 1.00 0.00 C
534
+ ATOM 533 NE1 TRP A 34 61.119 0.093 2.896 1.00 0.00 N
535
+ ATOM 534 CE2 TRP A 34 60.394 0.097 1.720 1.00 0.00 C
536
+ ATOM 535 CE3 TRP A 34 58.479 -1.117 0.871 1.00 0.00 C
537
+ ATOM 536 CZ2 TRP A 34 60.484 0.821 0.530 1.00 0.00 C
538
+ ATOM 537 CZ3 TRP A 34 58.569 -0.390 -0.328 1.00 0.00 C
539
+ ATOM 538 CH2 TRP A 34 59.569 0.577 -0.497 1.00 0.00 C
540
+ ATOM 539 H TRP A 34 58.964 -2.015 6.568 1.00 0.00 H
541
+ ATOM 540 HA TRP A 34 57.350 -1.127 4.513 1.00 0.00 H
542
+ ATOM 541 HB2 TRP A 34 59.330 -3.160 4.354 1.00 0.00 H
543
+ ATOM 542 HB3 TRP A 34 58.237 -3.017 3.251 1.00 0.00 H
544
+ ATOM 543 HD1 TRP A 34 60.963 -0.992 4.650 1.00 0.00 H
545
+ ATOM 544 HE1 TRP A 34 61.796 0.601 3.048 1.00 0.00 H
546
+ ATOM 545 HE3 TRP A 34 57.812 -1.756 0.975 1.00 0.00 H
547
+ ATOM 546 HZ2 TRP A 34 61.149 1.462 0.422 1.00 0.00 H
548
+ ATOM 547 HZ3 TRP A 34 57.961 -0.551 -1.013 1.00 0.00 H
549
+ ATOM 548 HH2 TRP A 34 59.623 1.056 -1.292 1.00 0.00 H
550
+ ATOM 549 N TRP A 35 55.512 -2.635 5.140 1.00 0.00 N
551
+ ATOM 550 CA TRP A 35 54.440 -3.577 5.573 1.00 0.00 C
552
+ ATOM 551 C TRP A 35 53.794 -4.217 4.345 1.00 0.00 C
553
+ ATOM 552 O TRP A 35 53.871 -3.700 3.251 1.00 0.00 O
554
+ ATOM 553 CB TRP A 35 53.379 -2.800 6.351 1.00 0.00 C
555
+ ATOM 554 CG TRP A 35 54.046 -1.893 7.330 1.00 0.00 C
556
+ ATOM 555 CD1 TRP A 35 55.248 -2.115 7.909 1.00 0.00 C
557
+ ATOM 556 CD2 TRP A 35 53.567 -0.626 7.854 1.00 0.00 C
558
+ ATOM 557 NE1 TRP A 35 55.536 -1.061 8.757 1.00 0.00 N
559
+ ATOM 558 CE2 TRP A 35 54.529 -0.116 8.756 1.00 0.00 C
560
+ ATOM 559 CE3 TRP A 35 52.401 0.121 7.631 1.00 0.00 C
561
+ ATOM 560 CZ2 TRP A 35 54.337 1.098 9.418 1.00 0.00 C
562
+ ATOM 561 CZ3 TRP A 35 52.202 1.344 8.294 1.00 0.00 C
563
+ ATOM 562 CH2 TRP A 35 53.169 1.831 9.186 1.00 0.00 C
564
+ ATOM 563 H TRP A 35 55.235 -1.936 4.723 1.00 0.00 H
565
+ ATOM 564 HA TRP A 35 54.822 -4.269 6.134 1.00 0.00 H
566
+ ATOM 565 HB2 TRP A 35 52.829 -2.285 5.741 1.00 0.00 H
567
+ ATOM 566 HB3 TRP A 35 52.789 -3.415 6.815 1.00 0.00 H
568
+ ATOM 567 HD1 TRP A 35 55.792 -2.855 7.761 1.00 0.00 H
569
+ ATOM 568 HE1 TRP A 35 56.254 -1.001 9.227 1.00 0.00 H
570
+ ATOM 569 HE3 TRP A 35 51.756 -0.195 7.041 1.00 0.00 H
571
+ ATOM 570 HZ2 TRP A 35 54.981 1.417 10.009 1.00 0.00 H
572
+ ATOM 571 HZ3 TRP A 35 51.426 1.833 8.141 1.00 0.00 H
573
+ ATOM 572 HH2 TRP A 35 53.033 2.641 9.623 1.00 0.00 H
574
+ ATOM 573 N LEU A 36 53.148 -5.335 4.515 1.00 0.00 N
575
+ ATOM 574 CA LEU A 36 52.492 -5.990 3.349 1.00 0.00 C
576
+ ATOM 575 C LEU A 36 51.050 -5.492 3.239 1.00 0.00 C
577
+ ATOM 576 O LEU A 36 50.230 -5.743 4.099 1.00 0.00 O
578
+ ATOM 577 CB LEU A 36 52.511 -7.509 3.527 1.00 0.00 C
579
+ ATOM 578 CG LEU A 36 52.111 -8.190 2.213 1.00 0.00 C
580
+ ATOM 579 CD1 LEU A 36 53.195 -7.972 1.153 1.00 0.00 C
581
+ ATOM 580 CD2 LEU A 36 51.945 -9.689 2.457 1.00 0.00 C
582
+ ATOM 581 H LEU A 36 53.062 -5.746 5.266 1.00 0.00 H
583
+ ATOM 582 HA LEU A 36 52.973 -5.766 2.537 1.00 0.00 H
584
+ ATOM 583 HB2 LEU A 36 53.396 -7.801 3.796 1.00 0.00 H
585
+ ATOM 584 HB3 LEU A 36 51.900 -7.768 4.234 1.00 0.00 H
586
+ ATOM 585 HG LEU A 36 51.277 -7.807 1.898 1.00 0.00 H
587
+ ATOM 586 HD11 LEU A 36 52.932 -8.407 0.327 1.00 0.00 H
588
+ ATOM 587 HD12 LEU A 36 53.308 -7.021 0.996 1.00 0.00 H
589
+ ATOM 588 HD13 LEU A 36 54.033 -8.350 1.464 1.00 0.00 H
590
+ ATOM 589 HD21 LEU A 36 51.692 -10.126 1.629 1.00 0.00 H
591
+ ATOM 590 HD22 LEU A 36 52.783 -10.060 2.775 1.00 0.00 H
592
+ ATOM 591 HD23 LEU A 36 51.255 -9.834 3.123 1.00 0.00 H
593
+ ATOM 592 N ALA A 37 50.734 -4.783 2.191 1.00 0.00 N
594
+ ATOM 593 CA ALA A 37 49.345 -4.268 2.041 1.00 0.00 C
595
+ ATOM 594 C ALA A 37 48.634 -5.027 0.920 1.00 0.00 C
596
+ ATOM 595 O ALA A 37 49.245 -5.454 -0.040 1.00 0.00 O
597
+ ATOM 596 CB ALA A 37 49.387 -2.777 1.702 1.00 0.00 C
598
+ ATOM 597 H ALA A 37 51.274 -4.577 1.554 1.00 0.00 H
599
+ ATOM 598 HA ALA A 37 48.863 -4.397 2.873 1.00 0.00 H
600
+ ATOM 599 HB1 ALA A 37 48.482 -2.442 1.604 1.00 0.00 H
601
+ ATOM 600 HB2 ALA A 37 49.835 -2.295 2.415 1.00 0.00 H
602
+ ATOM 601 HB3 ALA A 37 49.871 -2.647 0.871 1.00 0.00 H
603
+ ATOM 602 N HIS A 38 47.346 -5.197 1.035 1.00 0.00 N
604
+ ATOM 603 CA HIS A 38 46.592 -5.926 -0.021 1.00 0.00 C
605
+ ATOM 604 C HIS A 38 45.563 -4.982 -0.649 1.00 0.00 C
606
+ ATOM 605 O HIS A 38 44.668 -4.495 0.013 1.00 0.00 O
607
+ ATOM 606 CB HIS A 38 45.879 -7.129 0.605 1.00 0.00 C
608
+ ATOM 607 CG HIS A 38 44.847 -7.663 -0.350 1.00 0.00 C
609
+ ATOM 608 ND1 HIS A 38 45.188 -8.427 -1.455 1.00 0.00 N
610
+ ATOM 609 CD2 HIS A 38 43.480 -7.549 -0.380 1.00 0.00 C
611
+ ATOM 610 CE1 HIS A 38 44.048 -8.740 -2.098 1.00 0.00 C
612
+ ATOM 611 NE2 HIS A 38 42.977 -8.230 -1.484 1.00 0.00 N
613
+ ATOM 612 H HIS A 38 46.871 -4.914 1.694 1.00 0.00 H
614
+ ATOM 613 HA HIS A 38 47.203 -6.237 -0.707 1.00 0.00 H
615
+ ATOM 614 HB2 HIS A 38 46.523 -7.822 0.819 1.00 0.00 H
616
+ ATOM 615 HB3 HIS A 38 45.456 -6.868 1.438 1.00 0.00 H
617
+ ATOM 616 HD1 HIS A 38 45.983 -8.659 -1.687 1.00 0.00 H
618
+ ATOM 617 HD2 HIS A 38 42.967 -7.087 0.243 1.00 0.00 H
619
+ ATOM 618 HE1 HIS A 38 44.010 -9.249 -2.875 1.00 0.00 H
620
+ ATOM 619 HE2 HIS A 38 42.154 -8.306 -1.720 1.00 0.00 H
621
+ ATOM 620 N SER A 39 45.686 -4.718 -1.921 1.00 0.00 N
622
+ ATOM 621 CA SER A 39 44.718 -3.804 -2.591 1.00 0.00 C
623
+ ATOM 622 C SER A 39 43.377 -4.518 -2.769 1.00 0.00 C
624
+ ATOM 623 O SER A 39 43.318 -5.645 -3.221 1.00 0.00 O
625
+ ATOM 624 CB SER A 39 45.265 -3.399 -3.961 1.00 0.00 C
626
+ ATOM 625 OG SER A 39 46.462 -2.653 -3.787 1.00 0.00 O
627
+ ATOM 626 H SER A 39 46.301 -5.037 -2.431 1.00 0.00 H
628
+ ATOM 627 HA SER A 39 44.591 -3.012 -2.045 1.00 0.00 H
629
+ ATOM 628 HB2 SER A 39 45.439 -4.188 -4.498 1.00 0.00 H
630
+ ATOM 629 HB3 SER A 39 44.608 -2.869 -4.439 1.00 0.00 H
631
+ ATOM 630 HG SER A 39 46.765 -2.431 -4.538 1.00 0.00 H
632
+ ATOM 631 N LEU A 40 42.299 -3.872 -2.418 1.00 0.00 N
633
+ ATOM 632 CA LEU A 40 40.962 -4.514 -2.567 1.00 0.00 C
634
+ ATOM 633 C LEU A 40 40.393 -4.191 -3.950 1.00 0.00 C
635
+ ATOM 634 O LEU A 40 39.546 -4.895 -4.464 1.00 0.00 O
636
+ ATOM 635 CB LEU A 40 40.016 -3.976 -1.491 1.00 0.00 C
637
+ ATOM 636 CG LEU A 40 40.616 -4.231 -0.108 1.00 0.00 C
638
+ ATOM 637 CD1 LEU A 40 39.816 -3.465 0.947 1.00 0.00 C
639
+ ATOM 638 CD2 LEU A 40 40.562 -5.729 0.200 1.00 0.00 C
640
+ ATOM 639 H LEU A 40 42.288 -3.075 -2.095 1.00 0.00 H
641
+ ATOM 640 HA LEU A 40 41.052 -5.475 -2.469 1.00 0.00 H
642
+ ATOM 641 HB2 LEU A 40 39.871 -3.026 -1.621 1.00 0.00 H
643
+ ATOM 642 HB3 LEU A 40 39.150 -4.408 -1.563 1.00 0.00 H
644
+ ATOM 643 HG LEU A 40 41.538 -3.929 -0.095 1.00 0.00 H
645
+ ATOM 644 HD11 LEU A 40 40.198 -3.628 1.824 1.00 0.00 H
646
+ ATOM 645 HD12 LEU A 40 39.849 -2.515 0.752 1.00 0.00 H
647
+ ATOM 646 HD13 LEU A 40 38.894 -3.766 0.935 1.00 0.00 H
648
+ ATOM 647 HD21 LEU A 40 40.942 -5.893 1.077 1.00 0.00 H
649
+ ATOM 648 HD22 LEU A 40 39.640 -6.029 0.186 1.00 0.00 H
650
+ ATOM 649 HD23 LEU A 40 41.070 -6.215 -0.468 1.00 0.00 H
651
+ ATOM 650 N THR A 41 40.851 -3.131 -4.557 1.00 0.00 N
652
+ ATOM 651 CA THR A 41 40.335 -2.761 -5.905 1.00 0.00 C
653
+ ATOM 652 C THR A 41 40.628 -3.891 -6.894 1.00 0.00 C
654
+ ATOM 653 O THR A 41 39.738 -4.417 -7.532 1.00 0.00 O
655
+ ATOM 654 CB THR A 41 41.023 -1.479 -6.379 1.00 0.00 C
656
+ ATOM 655 OG1 THR A 41 41.021 -0.525 -5.325 1.00 0.00 O
657
+ ATOM 656 CG2 THR A 41 40.273 -0.912 -7.585 1.00 0.00 C
658
+ ATOM 657 H THR A 41 41.450 -2.603 -4.237 1.00 0.00 H
659
+ ATOM 658 HA THR A 41 39.377 -2.616 -5.855 1.00 0.00 H
660
+ ATOM 659 HB THR A 41 41.938 -1.677 -6.634 1.00 0.00 H
661
+ ATOM 660 HG1 THR A 41 41.325 0.205 -5.607 1.00 0.00 H
662
+ ATOM 661 HG21 THR A 41 40.710 -0.099 -7.885 1.00 0.00 H
663
+ ATOM 662 HG22 THR A 41 40.275 -1.564 -8.303 1.00 0.00 H
664
+ ATOM 663 HG23 THR A 41 39.358 -0.713 -7.333 1.00 0.00 H
665
+ ATOM 664 N THR A 42 41.870 -4.268 -7.029 1.00 0.00 N
666
+ ATOM 665 CA THR A 42 42.217 -5.362 -7.980 1.00 0.00 C
667
+ ATOM 666 C THR A 42 42.282 -6.693 -7.228 1.00 0.00 C
668
+ ATOM 667 O THR A 42 41.859 -7.719 -7.724 1.00 0.00 O
669
+ ATOM 668 CB THR A 42 43.577 -5.071 -8.618 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 42 44.353 -4.276 -7.733 1.00 0.00 O
671
+ ATOM 670 CG2 THR A 42 43.375 -4.320 -9.935 1.00 0.00 C
672
+ ATOM 671 H THR A 42 42.535 -3.929 -6.602 1.00 0.00 H
673
+ ATOM 672 HA THR A 42 41.539 -5.415 -8.672 1.00 0.00 H
674
+ ATOM 673 HB THR A 42 44.038 -5.907 -8.792 1.00 0.00 H
675
+ ATOM 674 HG1 THR A 42 45.040 -4.003 -8.131 1.00 0.00 H
676
+ ATOM 675 HG21 THR A 42 44.238 -4.136 -10.338 1.00 0.00 H
677
+ ATOM 676 HG22 THR A 42 42.845 -4.863 -10.539 1.00 0.00 H
678
+ ATOM 677 HG23 THR A 42 42.914 -3.484 -9.764 1.00 0.00 H
679
+ ATOM 678 N GLY A 43 42.809 -6.687 -6.034 1.00 0.00 N
680
+ ATOM 679 CA GLY A 43 42.902 -7.952 -5.253 1.00 0.00 C
681
+ ATOM 680 C GLY A 43 44.317 -8.523 -5.370 1.00 0.00 C
682
+ ATOM 681 O GLY A 43 44.509 -9.719 -5.450 1.00 0.00 O
683
+ ATOM 682 H GLY A 43 43.121 -5.990 -5.639 1.00 0.00 H
684
+ ATOM 683 HA2 GLY A 43 42.686 -7.785 -4.322 1.00 0.00 H
685
+ ATOM 684 HA3 GLY A 43 42.255 -8.595 -5.583 1.00 0.00 H
686
+ ATOM 685 N GLN A 44 45.309 -7.675 -5.379 1.00 0.00 N
687
+ ATOM 686 CA GLN A 44 46.711 -8.169 -5.489 1.00 0.00 C
688
+ ATOM 687 C GLN A 44 47.465 -7.845 -4.198 1.00 0.00 C
689
+ ATOM 688 O GLN A 44 47.043 -7.020 -3.412 1.00 0.00 O
690
+ ATOM 689 CB GLN A 44 47.402 -7.482 -6.670 1.00 0.00 C
691
+ ATOM 690 CG GLN A 44 46.814 -8.003 -7.983 1.00 0.00 C
692
+ ATOM 691 CD GLN A 44 47.762 -7.668 -9.136 1.00 0.00 C
693
+ ATOM 692 OE1 GLN A 44 48.188 -6.539 -9.279 1.00 0.00 O
694
+ ATOM 693 NE2 GLN A 44 48.113 -8.608 -9.970 1.00 0.00 N
695
+ ATOM 694 H GLN A 44 45.225 -6.821 -5.325 1.00 0.00 H
696
+ ATOM 695 HA GLN A 44 46.708 -9.129 -5.631 1.00 0.00 H
697
+ ATOM 696 HB2 GLN A 44 47.284 -6.521 -6.611 1.00 0.00 H
698
+ ATOM 697 HB3 GLN A 44 48.356 -7.653 -6.642 1.00 0.00 H
699
+ ATOM 698 HG2 GLN A 44 46.680 -8.962 -7.930 1.00 0.00 H
700
+ ATOM 699 HG3 GLN A 44 45.944 -7.603 -8.140 1.00 0.00 H
701
+ ATOM 700 HE21 GLN A 44 47.812 -9.407 -9.869 1.00 0.00 H
702
+ ATOM 701 HE22 GLN A 44 48.646 -8.429 -10.621 1.00 0.00 H
703
+ ATOM 702 N THR A 45 48.579 -8.486 -3.971 1.00 0.00 N
704
+ ATOM 703 CA THR A 45 49.356 -8.209 -2.730 1.00 0.00 C
705
+ ATOM 704 C THR A 45 50.654 -7.489 -3.094 1.00 0.00 C
706
+ ATOM 705 O THR A 45 51.160 -7.615 -4.191 1.00 0.00 O
707
+ ATOM 706 CB THR A 45 49.687 -9.527 -2.023 1.00 0.00 C
708
+ ATOM 707 OG1 THR A 45 48.512 -10.044 -1.414 1.00 0.00 O
709
+ ATOM 708 CG2 THR A 45 50.755 -9.282 -0.954 1.00 0.00 C
710
+ ATOM 709 H THR A 45 48.920 -9.078 -4.493 1.00 0.00 H
711
+ ATOM 710 HA THR A 45 48.828 -7.651 -2.138 1.00 0.00 H
712
+ ATOM 711 HB THR A 45 50.023 -10.166 -2.671 1.00 0.00 H
713
+ ATOM 712 HG1 THR A 45 48.715 -10.689 -0.916 1.00 0.00 H
714
+ ATOM 713 HG21 THR A 45 50.964 -10.117 -0.507 1.00 0.00 H
715
+ ATOM 714 HG22 THR A 45 51.557 -8.930 -1.372 1.00 0.00 H
716
+ ATOM 715 HG23 THR A 45 50.422 -8.643 -0.305 1.00 0.00 H
717
+ ATOM 716 N GLY A 46 51.199 -6.735 -2.181 1.00 0.00 N
718
+ ATOM 717 CA GLY A 46 52.464 -6.013 -2.479 1.00 0.00 C
719
+ ATOM 718 C GLY A 46 52.893 -5.198 -1.260 1.00 0.00 C
720
+ ATOM 719 O GLY A 46 52.132 -4.418 -0.719 1.00 0.00 O
721
+ ATOM 720 H GLY A 46 50.882 -6.611 -1.391 1.00 0.00 H
722
+ ATOM 721 HA2 GLY A 46 53.159 -6.646 -2.716 1.00 0.00 H
723
+ ATOM 722 HA3 GLY A 46 52.340 -5.428 -3.243 1.00 0.00 H
724
+ ATOM 723 N TYR A 47 54.109 -5.369 -0.824 1.00 0.00 N
725
+ ATOM 724 CA TYR A 47 54.590 -4.602 0.349 1.00 0.00 C
726
+ ATOM 725 C TYR A 47 54.371 -3.110 0.087 1.00 0.00 C
727
+ ATOM 726 O TYR A 47 53.928 -2.718 -0.975 1.00 0.00 O
728
+ ATOM 727 CB TYR A 47 56.076 -4.894 0.561 1.00 0.00 C
729
+ ATOM 728 CG TYR A 47 56.249 -6.321 1.039 1.00 0.00 C
730
+ ATOM 729 CD1 TYR A 47 55.646 -6.743 2.234 1.00 0.00 C
731
+ ATOM 730 CD2 TYR A 47 57.015 -7.224 0.289 1.00 0.00 C
732
+ ATOM 731 CE1 TYR A 47 55.810 -8.061 2.673 1.00 0.00 C
733
+ ATOM 732 CE2 TYR A 47 57.177 -8.543 0.731 1.00 0.00 C
734
+ ATOM 733 CZ TYR A 47 56.574 -8.961 1.923 1.00 0.00 C
735
+ ATOM 734 OH TYR A 47 56.731 -10.261 2.358 1.00 0.00 O
736
+ ATOM 735 H TYR A 47 54.683 -5.909 -1.169 1.00 0.00 H
737
+ ATOM 736 HA TYR A 47 54.102 -4.860 1.147 1.00 0.00 H
738
+ ATOM 737 HB2 TYR A 47 56.563 -4.759 -0.267 1.00 0.00 H
739
+ ATOM 738 HB3 TYR A 47 56.447 -4.278 1.212 1.00 0.00 H
740
+ ATOM 739 HD1 TYR A 47 55.137 -6.146 2.734 1.00 0.00 H
741
+ ATOM 740 HD2 TYR A 47 57.416 -6.947 -0.503 1.00 0.00 H
742
+ ATOM 741 HE1 TYR A 47 55.410 -8.339 3.465 1.00 0.00 H
743
+ ATOM 742 HE2 TYR A 47 57.685 -9.141 0.232 1.00 0.00 H
744
+ ATOM 743 HH TYR A 47 56.338 -10.360 3.094 1.00 0.00 H
745
+ ATOM 744 N ILE A 48 54.662 -2.275 1.043 1.00 0.00 N
746
+ ATOM 745 CA ILE A 48 54.450 -0.813 0.842 1.00 0.00 C
747
+ ATOM 746 C ILE A 48 55.293 -0.033 1.853 1.00 0.00 C
748
+ ATOM 747 O ILE A 48 55.465 -0.465 2.975 1.00 0.00 O
749
+ ATOM 748 CB ILE A 48 52.973 -0.486 1.066 1.00 0.00 C
750
+ ATOM 749 CG1 ILE A 48 52.497 -1.150 2.359 1.00 0.00 C
751
+ ATOM 750 CG2 ILE A 48 52.149 -1.012 -0.110 1.00 0.00 C
752
+ ATOM 751 CD1 ILE A 48 52.139 -0.075 3.385 1.00 0.00 C
753
+ ATOM 752 H ILE A 48 54.978 -2.498 1.811 1.00 0.00 H
754
+ ATOM 753 HA ILE A 48 54.711 -0.567 -0.059 1.00 0.00 H
755
+ ATOM 754 HB ILE A 48 52.861 0.475 1.134 1.00 0.00 H
756
+ ATOM 755 HG12 ILE A 48 51.725 -1.710 2.181 1.00 0.00 H
757
+ ATOM 756 HG13 ILE A 48 53.192 -1.728 2.711 1.00 0.00 H
758
+ ATOM 757 HG21 ILE A 48 51.212 -0.804 0.032 1.00 0.00 H
759
+ ATOM 758 HG22 ILE A 48 52.452 -0.593 -0.931 1.00 0.00 H
760
+ ATOM 759 HG23 ILE A 48 52.260 -1.973 -0.179 1.00 0.00 H
761
+ ATOM 760 HD11 ILE A 48 51.837 -0.497 4.204 1.00 0.00 H
762
+ ATOM 761 HD12 ILE A 48 52.921 0.469 3.571 1.00 0.00 H
763
+ ATOM 762 HD13 ILE A 48 51.432 0.487 3.032 1.00 0.00 H
764
+ ATOM 763 N PRO A 49 55.780 1.105 1.432 1.00 0.00 N
765
+ ATOM 764 CA PRO A 49 56.592 1.978 2.294 1.00 0.00 C
766
+ ATOM 765 C PRO A 49 55.680 2.707 3.287 1.00 0.00 C
767
+ ATOM 766 O PRO A 49 54.680 3.288 2.916 1.00 0.00 O
768
+ ATOM 767 CB PRO A 49 57.254 2.944 1.308 1.00 0.00 C
769
+ ATOM 768 CG PRO A 49 56.379 2.937 0.034 1.00 0.00 C
770
+ ATOM 769 CD PRO A 49 55.566 1.628 0.065 1.00 0.00 C
771
+ ATOM 770 HA PRO A 49 57.249 1.506 2.829 1.00 0.00 H
772
+ ATOM 771 HB2 PRO A 49 57.310 3.837 1.684 1.00 0.00 H
773
+ ATOM 772 HB3 PRO A 49 58.160 2.664 1.106 1.00 0.00 H
774
+ ATOM 773 HG2 PRO A 49 55.791 3.708 0.016 1.00 0.00 H
775
+ ATOM 774 HG3 PRO A 49 56.930 2.982 -0.763 1.00 0.00 H
776
+ ATOM 775 HD2 PRO A 49 54.626 1.790 -0.110 1.00 0.00 H
777
+ ATOM 776 HD3 PRO A 49 55.876 1.001 -0.607 1.00 0.00 H
778
+ ATOM 777 N SER A 50 56.003 2.650 4.550 1.00 0.00 N
779
+ ATOM 778 CA SER A 50 55.142 3.304 5.576 1.00 0.00 C
780
+ ATOM 779 C SER A 50 55.209 4.830 5.461 1.00 0.00 C
781
+ ATOM 780 O SER A 50 54.318 5.527 5.906 1.00 0.00 O
782
+ ATOM 781 CB SER A 50 55.610 2.880 6.968 1.00 0.00 C
783
+ ATOM 782 OG SER A 50 57.010 2.639 6.938 1.00 0.00 O
784
+ ATOM 783 H SER A 50 56.699 2.251 4.859 1.00 0.00 H
785
+ ATOM 784 HA SER A 50 54.224 3.027 5.430 1.00 0.00 H
786
+ ATOM 785 HB2 SER A 50 55.404 3.573 7.615 1.00 0.00 H
787
+ ATOM 786 HB3 SER A 50 55.139 2.080 7.249 1.00 0.00 H
788
+ ATOM 787 HG SER A 50 57.152 1.836 6.738 1.00 0.00 H
789
+ ATOM 788 N ASN A 51 56.248 5.366 4.883 1.00 0.00 N
790
+ ATOM 789 CA ASN A 51 56.343 6.843 4.770 1.00 0.00 C
791
+ ATOM 790 C ASN A 51 55.362 7.347 3.708 1.00 0.00 C
792
+ ATOM 791 O ASN A 51 55.059 8.521 3.639 1.00 0.00 O
793
+ ATOM 792 CB ASN A 51 57.769 7.223 4.381 1.00 0.00 C
794
+ ATOM 793 CG ASN A 51 58.036 6.782 2.946 1.00 0.00 C
795
+ ATOM 794 OD1 ASN A 51 57.409 5.865 2.459 1.00 0.00 O
796
+ ATOM 795 ND2 ASN A 51 58.948 7.399 2.246 1.00 0.00 N
797
+ ATOM 796 H ASN A 51 56.908 4.927 4.549 1.00 0.00 H
798
+ ATOM 797 HA ASN A 51 56.119 7.250 5.622 1.00 0.00 H
799
+ ATOM 798 HB2 ASN A 51 57.893 8.181 4.464 1.00 0.00 H
800
+ ATOM 799 HB3 ASN A 51 58.402 6.802 4.983 1.00 0.00 H
801
+ ATOM 800 HD21 ASN A 51 59.106 7.156 1.436 1.00 0.00 H
802
+ ATOM 801 HD22 ASN A 51 59.391 8.049 2.594 1.00 0.00 H
803
+ ATOM 802 N TYR A 52 54.858 6.470 2.881 1.00 0.00 N
804
+ ATOM 803 CA TYR A 52 53.896 6.911 1.832 1.00 0.00 C
805
+ ATOM 804 C TYR A 52 52.471 6.550 2.259 1.00 0.00 C
806
+ ATOM 805 O TYR A 52 51.516 6.847 1.567 1.00 0.00 O
807
+ ATOM 806 CB TYR A 52 54.225 6.223 0.504 1.00 0.00 C
808
+ ATOM 807 CG TYR A 52 55.006 7.176 -0.372 1.00 0.00 C
809
+ ATOM 808 CD1 TYR A 52 56.201 7.731 0.097 1.00 0.00 C
810
+ ATOM 809 CD2 TYR A 52 54.536 7.507 -1.651 1.00 0.00 C
811
+ ATOM 810 CE1 TYR A 52 56.927 8.616 -0.709 1.00 0.00 C
812
+ ATOM 811 CE2 TYR A 52 55.264 8.395 -2.457 1.00 0.00 C
813
+ ATOM 812 CZ TYR A 52 56.459 8.948 -1.984 1.00 0.00 C
814
+ ATOM 813 OH TYR A 52 57.177 9.821 -2.776 1.00 0.00 O
815
+ ATOM 814 H TYR A 52 55.037 5.629 2.886 1.00 0.00 H
816
+ ATOM 815 HA TYR A 52 53.965 7.872 1.719 1.00 0.00 H
817
+ ATOM 816 HB2 TYR A 52 54.741 5.418 0.664 1.00 0.00 H
818
+ ATOM 817 HB3 TYR A 52 53.408 5.952 0.057 1.00 0.00 H
819
+ ATOM 818 HD1 TYR A 52 56.514 7.512 0.945 1.00 0.00 H
820
+ ATOM 819 HD2 TYR A 52 53.742 7.138 -1.965 1.00 0.00 H
821
+ ATOM 820 HE1 TYR A 52 57.722 8.984 -0.396 1.00 0.00 H
822
+ ATOM 821 HE2 TYR A 52 54.953 8.616 -3.305 1.00 0.00 H
823
+ ATOM 822 HH TYR A 52 56.741 9.990 -3.474 1.00 0.00 H
824
+ ATOM 823 N VAL A 53 52.317 5.920 3.396 1.00 0.00 N
825
+ ATOM 824 CA VAL A 53 50.951 5.552 3.867 1.00 0.00 C
826
+ ATOM 825 C VAL A 53 50.717 6.139 5.256 1.00 0.00 C
827
+ ATOM 826 O VAL A 53 51.631 6.602 5.910 1.00 0.00 O
828
+ ATOM 827 CB VAL A 53 50.810 4.029 3.932 1.00 0.00 C
829
+ ATOM 828 CG1 VAL A 53 51.947 3.438 4.766 1.00 0.00 C
830
+ ATOM 829 CG2 VAL A 53 49.475 3.661 4.578 1.00 0.00 C
831
+ ATOM 830 H VAL A 53 52.959 5.689 3.919 1.00 0.00 H
832
+ ATOM 831 HA VAL A 53 50.296 5.907 3.245 1.00 0.00 H
833
+ ATOM 832 HB VAL A 53 50.847 3.671 3.031 1.00 0.00 H
834
+ ATOM 833 HG11 VAL A 53 51.853 2.473 4.804 1.00 0.00 H
835
+ ATOM 834 HG12 VAL A 53 52.798 3.664 4.359 1.00 0.00 H
836
+ ATOM 835 HG13 VAL A 53 51.912 3.801 5.665 1.00 0.00 H
837
+ ATOM 836 HG21 VAL A 53 49.390 2.696 4.617 1.00 0.00 H
838
+ ATOM 837 HG22 VAL A 53 49.439 4.025 5.476 1.00 0.00 H
839
+ ATOM 838 HG23 VAL A 53 48.748 4.028 4.051 1.00 0.00 H
840
+ ATOM 839 N ALA A 54 49.499 6.121 5.708 1.00 0.00 N
841
+ ATOM 840 CA ALA A 54 49.196 6.676 7.057 1.00 0.00 C
842
+ ATOM 841 C ALA A 54 47.966 5.969 7.638 1.00 0.00 C
843
+ ATOM 842 O ALA A 54 47.049 5.631 6.915 1.00 0.00 O
844
+ ATOM 843 CB ALA A 54 48.914 8.175 6.938 1.00 0.00 C
845
+ ATOM 844 H ALA A 54 48.822 5.805 5.282 1.00 0.00 H
846
+ ATOM 845 HA ALA A 54 49.956 6.534 7.643 1.00 0.00 H
847
+ ATOM 846 HB1 ALA A 54 48.716 8.538 7.816 1.00 0.00 H
848
+ ATOM 847 HB2 ALA A 54 49.692 8.623 6.571 1.00 0.00 H
849
+ ATOM 848 HB3 ALA A 54 48.154 8.316 6.352 1.00 0.00 H
850
+ ATOM 849 N PRO A 55 47.984 5.768 8.932 1.00 0.00 N
851
+ ATOM 850 CA PRO A 55 46.882 5.104 9.648 1.00 0.00 C
852
+ ATOM 851 C PRO A 55 45.722 6.080 9.862 1.00 0.00 C
853
+ ATOM 852 O PRO A 55 45.807 6.994 10.658 1.00 0.00 O
854
+ ATOM 853 CB PRO A 55 47.512 4.704 10.985 1.00 0.00 C
855
+ ATOM 854 CG PRO A 55 48.728 5.639 11.191 1.00 0.00 C
856
+ ATOM 855 CD PRO A 55 49.105 6.184 9.800 1.00 0.00 C
857
+ ATOM 856 HA PRO A 55 46.514 4.347 9.166 1.00 0.00 H
858
+ ATOM 857 HB2 PRO A 55 46.875 4.801 11.710 1.00 0.00 H
859
+ ATOM 858 HB3 PRO A 55 47.789 3.774 10.972 1.00 0.00 H
860
+ ATOM 859 HG2 PRO A 55 48.507 6.364 11.797 1.00 0.00 H
861
+ ATOM 860 HG3 PRO A 55 49.471 5.156 11.585 1.00 0.00 H
862
+ ATOM 861 HD2 PRO A 55 49.205 7.149 9.812 1.00 0.00 H
863
+ ATOM 862 HD3 PRO A 55 49.948 5.816 9.492 1.00 0.00 H
864
+ ATOM 863 N SER A 56 44.639 5.894 9.159 1.00 0.00 N
865
+ ATOM 864 CA SER A 56 43.477 6.812 9.324 1.00 0.00 C
866
+ ATOM 865 C SER A 56 42.644 6.367 10.528 1.00 0.00 C
867
+ ATOM 866 O SER A 56 43.136 5.557 11.297 1.00 0.00 O
868
+ ATOM 867 CB SER A 56 42.613 6.773 8.064 1.00 0.00 C
869
+ ATOM 868 OG SER A 56 43.251 5.968 7.082 1.00 0.00 O
870
+ ATOM 869 OXT SER A 56 41.530 6.844 10.662 1.00 0.00 O
871
+ ATOM 870 H SER A 56 44.529 5.264 8.585 1.00 0.00 H
872
+ ATOM 871 HA SER A 56 43.797 7.716 9.468 1.00 0.00 H
873
+ ATOM 872 HB2 SER A 56 41.736 6.414 8.272 1.00 0.00 H
874
+ ATOM 873 HB3 SER A 56 42.479 7.671 7.723 1.00 0.00 H
875
+ ATOM 874 HG SER A 56 43.088 5.158 7.234 1.00 0.00 H
876
+ TER 875 SER A 56
877
+ END
1oiu/1oiu_protein_esmfold_aligned_tr_fix.pdb ADDED
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1p01/1p01_protein_processed_fix.pdb ADDED
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+ $$$$
1p04/1p04_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1p04/1p04_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pig/1pig_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pig/1pig_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pxh/1pxh_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
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+ ###
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+ $$$$
1sj0/1sj0_protein_esmfold_aligned_tr_fix.pdb ADDED
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1sj0/1sj0_protein_processed_fix.pdb ADDED
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