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linbc20 commited on
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1 Parent(s): e3e8b31

Add batch 115

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  1. 1hp5/1hp5_ligand.mol2 +71 -0
  2. 1hp5/1hp5_ligand.sdf +61 -0
  3. 1hp5/1hp5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1hp5/1hp5_protein_processed_fix.pdb +0 -0
  5. 1mj7/1mj7_ligand.mol2 +137 -0
  6. 1mj7/1mj7_ligand.sdf +131 -0
  7. 1mj7/1mj7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1mj7/1mj7_protein_processed_fix.pdb +0 -0
  9. 1mzc/1mzc_ligand.mol2 +157 -0
  10. 1mzc/1mzc_ligand.sdf +147 -0
  11. 1mzc/1mzc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1mzc/1mzc_protein_processed_fix.pdb +0 -0
  13. 1nc6/1nc6_ligand.mol2 +144 -0
  14. 1nc6/1nc6_ligand.sdf +132 -0
  15. 1nc6/1nc6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1nc6/1nc6_protein_processed_fix.pdb +0 -0
  17. 1prm/1prm_ligand.mol2 +323 -0
  18. 1prm/1prm_ligand.sdf +311 -0
  19. 1prm/1prm_protein_esmfold_aligned_tr_fix.pdb +455 -0
  20. 1prm/1prm_protein_processed_fix.pdb +877 -0
  21. 1qbv/1qbv_ligand.mol2 +130 -0
  22. 1qbv/1qbv_ligand.sdf +120 -0
  23. 1qbv/1qbv_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1qbv/1qbv_protein_processed_fix.pdb +0 -0
  25. 1qy1/1qy1_ligand.mol2 +68 -0
  26. 1qy1/1qy1_ligand.sdf +58 -0
  27. 1qy1/1qy1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1qy1/1qy1_protein_processed_fix.pdb +0 -0
  29. 1tps/1tps_ligand.mol2 +308 -0
  30. 1tps/1tps_ligand.sdf +296 -0
  31. 1tps/1tps_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1tps/1tps_protein_processed_fix.pdb +0 -0
  33. 1u9x/1u9x_ligand.mol2 +160 -0
  34. 1u9x/1u9x_ligand.sdf +150 -0
  35. 1u9x/1u9x_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1u9x/1u9x_protein_processed_fix.pdb +0 -0
  37. 1uze/1uze_ligand.mol2 +109 -0
  38. 1uze/1uze_ligand.sdf +103 -0
  39. 1uze/1uze_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1uze/1uze_protein_processed_fix.pdb +0 -0
  41. 1y6b/1y6b_ligand.mol2 +136 -0
  42. 1y6b/1y6b_ligand.sdf +126 -0
  43. 1y6b/1y6b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1y6b/1y6b_protein_processed_fix.pdb +0 -0
  45. 2cm7/2cm7_ligand.mol2 +138 -0
  46. 2cm7/2cm7_ligand.sdf +128 -0
  47. 2cm7/2cm7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2cm7/2cm7_protein_processed_fix.pdb +0 -0
  49. 2ftd/2ftd_ligand.mol2 +163 -0
  50. 2ftd/2ftd_ligand.sdf +153 -0
1hp5/1hp5_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1hp5_ligand
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+ SMALL
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+ 26 H12 -2.7281 68.7459 8.2951 H 1 NGT 0.2100
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+ 1 NGT 1
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+
1hp5/1hp5_ligand.sdf ADDED
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+ -I-interpret-
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+ M END
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+ $$$$
1hp5/1hp5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hp5/1hp5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mj7/1mj7_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1mj7_ligand
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+ 60 61 1 0 0
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+ SMALL
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+ GAST_HUCK
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+ @<TRIPOS>ATOM
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+ 6 CP6 61.5300 4.5850 32.5510 C.ar 1 HAL -0.0603
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+ 9 N1 59.3120 1.3160 34.3140 N.am 1 HAL -0.2828
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+ 14 P 59.2410 -1.2450 36.6890 P.3 1 HAL 0.1512
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1mj7/1mj7_ligand.sdf ADDED
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+ $$$$
1mj7/1mj7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mj7/1mj7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mzc/1mzc_ligand.mol2 ADDED
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+ ###
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+ ###
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1mzc/1mzc_ligand.sdf ADDED
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147
+ $$$$
1mzc/1mzc_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mzc/1mzc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1nc6/1nc6_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
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11
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The diff for this file is too large to render. See raw diff
 
1nc6/1nc6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ 14 87 1 0 0 0
246
+ 15 88 1 0 0 0
247
+ 16 89 1 0 0 0
248
+ 17 90 1 0 0 0
249
+ 18 91 1 0 0 0
250
+ 21 92 1 0 0 0
251
+ 21 93 1 0 0 0
252
+ 21 94 1 0 0 0
253
+ 23 95 1 0 0 0
254
+ 26 96 1 0 0 0
255
+ 26 97 1 0 0 0
256
+ 27 98 1 0 0 0
257
+ 27 99 1 0 0 0
258
+ 28100 1 0 0 0
259
+ 28101 1 0 0 0
260
+ 30102 1 0 0 0
261
+ 33103 1 0 0 0
262
+ 33104 1 0 0 0
263
+ 34105 1 0 0 0
264
+ 34106 1 0 0 0
265
+ 35107 1 0 0 0
266
+ 35108 1 0 0 0
267
+ 36109 1 0 0 0
268
+ 37110 1 0 0 0
269
+ 40111 1 0 0 0
270
+ 40112 1 0 0 0
271
+ 41113 1 0 0 0
272
+ 42114 1 0 0 0
273
+ 42115 1 0 0 0
274
+ 42116 1 0 0 0
275
+ 43117 1 0 0 0
276
+ 43118 1 0 0 0
277
+ 43119 1 0 0 0
278
+ 45120 1 0 0 0
279
+ 48121 1 0 0 0
280
+ 48122 1 0 0 0
281
+ 49123 1 0 0 0
282
+ 49124 1 0 0 0
283
+ 50125 1 0 0 0
284
+ 50126 1 0 0 0
285
+ 51127 1 0 0 0
286
+ 52128 1 0 0 0
287
+ 55129 1 0 0 0
288
+ 55130 1 0 0 0
289
+ 56131 1 0 0 0
290
+ 56132 1 0 0 0
291
+ 57133 1 0 0 0
292
+ 57134 1 0 0 0
293
+ 58135 1 0 0 0
294
+ 60136 1 0 0 0
295
+ 60137 1 0 0 0
296
+ 61138 1 0 0 0
297
+ 62139 1 0 0 0
298
+ 63140 1 0 0 0
299
+ 65141 1 0 0 0
300
+ 66142 1 0 0 0
301
+ 66143 1 0 0 0
302
+ 67144 1 0 0 0
303
+ 67145 1 0 0 0
304
+ 68146 1 0 0 0
305
+ 68147 1 0 0 0
306
+ 69148 1 0 0 0
307
+ 71149 1 0 0 0
308
+ 71150 1 0 0 0
309
+ 72151 1 0 0 0
310
+ M END
311
+ $$$$
1prm/1prm_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,455 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N THR A 1 12.696 28.907 -8.747 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 13.276 28.753 -7.417 1.00 0.00 C
4
+ ATOM 3 C THR A 1 12.309 28.027 -6.486 1.00 0.00 C
5
+ ATOM 4 CB THR A 1 13.651 30.117 -6.810 1.00 0.00 C
6
+ ATOM 5 O THR A 1 11.103 28.277 -6.519 1.00 0.00 O
7
+ ATOM 6 CG2 THR A 1 14.385 29.945 -5.484 1.00 0.00 C
8
+ ATOM 7 OG1 THR A 1 14.498 30.824 -7.725 1.00 0.00 O
9
+ ATOM 8 N PHE A 2 12.776 26.968 -5.662 1.00 0.00 N
10
+ ATOM 9 CA PHE A 2 12.051 26.163 -4.686 1.00 0.00 C
11
+ ATOM 10 C PHE A 2 12.598 26.392 -3.282 1.00 0.00 C
12
+ ATOM 11 CB PHE A 2 12.134 24.676 -5.047 1.00 0.00 C
13
+ ATOM 12 O PHE A 2 13.746 26.810 -3.118 1.00 0.00 O
14
+ ATOM 13 CG PHE A 2 11.305 24.293 -6.242 1.00 0.00 C
15
+ ATOM 14 CD1 PHE A 2 10.117 23.590 -6.085 1.00 0.00 C
16
+ ATOM 15 CD2 PHE A 2 11.713 24.637 -7.524 1.00 0.00 C
17
+ ATOM 16 CE1 PHE A 2 9.347 23.235 -7.191 1.00 0.00 C
18
+ ATOM 17 CE2 PHE A 2 10.949 24.286 -8.633 1.00 0.00 C
19
+ ATOM 18 CZ PHE A 2 9.767 23.584 -8.463 1.00 0.00 C
20
+ ATOM 19 N VAL A 3 11.767 26.334 -2.185 1.00 0.00 N
21
+ ATOM 20 CA VAL A 3 12.205 26.457 -0.798 1.00 0.00 C
22
+ ATOM 21 C VAL A 3 12.050 25.114 -0.088 1.00 0.00 C
23
+ ATOM 22 CB VAL A 3 11.414 27.552 -0.048 1.00 0.00 C
24
+ ATOM 23 O VAL A 3 11.046 24.421 -0.269 1.00 0.00 O
25
+ ATOM 24 CG1 VAL A 3 9.939 27.166 0.071 1.00 0.00 C
26
+ ATOM 25 CG2 VAL A 3 12.019 27.795 1.333 1.00 0.00 C
27
+ ATOM 26 N ALA A 4 13.092 24.722 0.711 1.00 0.00 N
28
+ ATOM 27 CA ALA A 4 13.070 23.501 1.512 1.00 0.00 C
29
+ ATOM 28 C ALA A 4 12.042 23.599 2.636 1.00 0.00 C
30
+ ATOM 29 CB ALA A 4 14.455 23.216 2.087 1.00 0.00 C
31
+ ATOM 30 O ALA A 4 12.038 24.568 3.399 1.00 0.00 O
32
+ ATOM 31 N LEU A 5 11.128 22.669 2.711 1.00 0.00 N
33
+ ATOM 32 CA LEU A 5 10.114 22.625 3.758 1.00 0.00 C
34
+ ATOM 33 C LEU A 5 10.643 21.909 4.997 1.00 0.00 C
35
+ ATOM 34 CB LEU A 5 8.850 21.926 3.251 1.00 0.00 C
36
+ ATOM 35 O LEU A 5 10.149 22.130 6.105 1.00 0.00 O
37
+ ATOM 36 CG LEU A 5 8.133 22.590 2.075 1.00 0.00 C
38
+ ATOM 37 CD1 LEU A 5 6.980 21.715 1.594 1.00 0.00 C
39
+ ATOM 38 CD2 LEU A 5 7.631 23.976 2.468 1.00 0.00 C
40
+ ATOM 39 N TYR A 6 11.617 20.948 4.926 1.00 0.00 N
41
+ ATOM 40 CA TYR A 6 12.212 20.126 5.973 1.00 0.00 C
42
+ ATOM 41 C TYR A 6 13.726 20.053 5.815 1.00 0.00 C
43
+ ATOM 42 CB TYR A 6 11.618 18.713 5.951 1.00 0.00 C
44
+ ATOM 43 O TYR A 6 14.255 20.279 4.724 1.00 0.00 O
45
+ ATOM 44 CG TYR A 6 10.109 18.689 5.994 1.00 0.00 C
46
+ ATOM 45 CD1 TYR A 6 9.423 18.915 7.186 1.00 0.00 C
47
+ ATOM 46 CD2 TYR A 6 9.367 18.441 4.845 1.00 0.00 C
48
+ ATOM 47 CE1 TYR A 6 8.033 18.892 7.231 1.00 0.00 C
49
+ ATOM 48 CE2 TYR A 6 7.976 18.416 4.878 1.00 0.00 C
50
+ ATOM 49 OH TYR A 6 5.943 18.618 6.113 1.00 0.00 O
51
+ ATOM 50 CZ TYR A 6 7.319 18.643 6.074 1.00 0.00 C
52
+ ATOM 51 N ASP A 7 14.390 19.729 6.868 1.00 0.00 N
53
+ ATOM 52 CA ASP A 7 15.779 19.288 6.787 1.00 0.00 C
54
+ ATOM 53 C ASP A 7 15.893 17.963 6.036 1.00 0.00 C
55
+ ATOM 54 CB ASP A 7 16.383 19.154 8.186 1.00 0.00 C
56
+ ATOM 55 O ASP A 7 14.997 17.120 6.116 1.00 0.00 O
57
+ ATOM 56 CG ASP A 7 16.535 20.487 8.897 1.00 0.00 C
58
+ ATOM 57 OD1 ASP A 7 16.335 21.544 8.261 1.00 0.00 O
59
+ ATOM 58 OD2 ASP A 7 16.861 20.481 10.104 1.00 0.00 O
60
+ ATOM 59 N TYR A 8 16.985 17.822 5.332 1.00 0.00 N
61
+ ATOM 60 CA TYR A 8 17.276 16.539 4.704 1.00 0.00 C
62
+ ATOM 61 C TYR A 8 18.760 16.205 4.808 1.00 0.00 C
63
+ ATOM 62 CB TYR A 8 16.844 16.548 3.235 1.00 0.00 C
64
+ ATOM 63 O TYR A 8 19.609 16.989 4.378 1.00 0.00 O
65
+ ATOM 64 CG TYR A 8 17.011 15.216 2.545 1.00 0.00 C
66
+ ATOM 65 CD1 TYR A 8 16.128 14.167 2.789 1.00 0.00 C
67
+ ATOM 66 CD2 TYR A 8 18.053 15.003 1.648 1.00 0.00 C
68
+ ATOM 67 CE1 TYR A 8 16.279 12.937 2.157 1.00 0.00 C
69
+ ATOM 68 CE2 TYR A 8 18.213 13.778 1.010 1.00 0.00 C
70
+ ATOM 69 OH TYR A 8 17.478 11.538 0.642 1.00 0.00 O
71
+ ATOM 70 CZ TYR A 8 17.323 12.753 1.270 1.00 0.00 C
72
+ ATOM 71 N GLU A 9 19.113 15.174 5.319 1.00 0.00 N
73
+ ATOM 72 CA GLU A 9 20.480 14.665 5.387 1.00 0.00 C
74
+ ATOM 73 C GLU A 9 20.737 13.623 4.304 1.00 0.00 C
75
+ ATOM 74 CB GLU A 9 20.764 14.070 6.769 1.00 0.00 C
76
+ ATOM 75 O GLU A 9 19.991 12.648 4.184 1.00 0.00 O
77
+ ATOM 76 CG GLU A 9 22.230 13.739 7.008 1.00 0.00 C
78
+ ATOM 77 CD GLU A 9 22.526 13.322 8.439 1.00 0.00 C
79
+ ATOM 78 OE1 GLU A 9 21.601 13.347 9.282 1.00 0.00 O
80
+ ATOM 79 OE2 GLU A 9 23.693 12.968 8.721 1.00 0.00 O
81
+ ATOM 80 N SER A 10 21.738 13.845 3.502 1.00 0.00 N
82
+ ATOM 81 CA SER A 10 22.090 12.951 2.403 1.00 0.00 C
83
+ ATOM 82 C SER A 10 22.355 11.535 2.906 1.00 0.00 C
84
+ ATOM 83 CB SER A 10 23.319 13.474 1.659 1.00 0.00 C
85
+ ATOM 84 O SER A 10 22.960 11.349 3.963 1.00 0.00 O
86
+ ATOM 85 OG SER A 10 24.500 13.234 2.404 1.00 0.00 O
87
+ ATOM 86 N ARG A 11 21.823 10.495 2.162 1.00 0.00 N
88
+ ATOM 87 CA ARG A 11 21.998 9.085 2.492 1.00 0.00 C
89
+ ATOM 88 C ARG A 11 22.933 8.403 1.499 1.00 0.00 C
90
+ ATOM 89 CB ARG A 11 20.647 8.366 2.517 1.00 0.00 C
91
+ ATOM 90 O ARG A 11 23.347 7.261 1.712 1.00 0.00 O
92
+ ATOM 91 CG ARG A 11 19.692 8.888 3.578 1.00 0.00 C
93
+ ATOM 92 CD ARG A 11 18.351 8.167 3.534 1.00 0.00 C
94
+ ATOM 93 NE ARG A 11 17.395 8.749 4.471 1.00 0.00 N
95
+ ATOM 94 NH1 ARG A 11 15.631 7.404 3.828 1.00 0.00 N
96
+ ATOM 95 NH2 ARG A 11 15.341 8.972 5.476 1.00 0.00 N
97
+ ATOM 96 CZ ARG A 11 16.124 8.374 4.590 1.00 0.00 C
98
+ ATOM 97 N THR A 12 23.255 9.019 0.392 1.00 0.00 N
99
+ ATOM 98 CA THR A 12 24.177 8.539 -0.631 1.00 0.00 C
100
+ ATOM 99 C THR A 12 25.091 9.665 -1.106 1.00 0.00 C
101
+ ATOM 100 CB THR A 12 23.419 7.947 -1.833 1.00 0.00 C
102
+ ATOM 101 O THR A 12 24.848 10.837 -0.807 1.00 0.00 O
103
+ ATOM 102 CG2 THR A 12 22.284 7.037 -1.374 1.00 0.00 C
104
+ ATOM 103 OG1 THR A 12 22.873 9.014 -2.619 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 26.146 9.327 -1.780 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 27.100 10.320 -2.265 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 26.450 11.260 -3.276 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 28.318 9.636 -2.890 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 26.943 12.365 -3.510 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 29.217 8.937 -1.881 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 30.491 8.381 -2.496 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 30.663 8.484 -3.732 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 31.323 7.837 -1.736 1.00 0.00 O
114
+ ATOM 113 N THR A 14 25.394 10.854 -3.943 1.00 0.00 N
115
+ ATOM 114 CA THR A 14 24.840 11.684 -5.008 1.00 0.00 C
116
+ ATOM 115 C THR A 14 23.728 12.580 -4.470 1.00 0.00 C
117
+ ATOM 116 CB THR A 14 24.297 10.823 -6.163 1.00 0.00 C
118
+ ATOM 117 O THR A 14 23.217 13.443 -5.188 1.00 0.00 O
119
+ ATOM 118 CG2 THR A 14 25.408 9.997 -6.802 1.00 0.00 C
120
+ ATOM 119 OG1 THR A 14 23.289 9.940 -5.658 1.00 0.00 O
121
+ ATOM 120 N ASP A 15 23.270 12.427 -3.155 1.00 0.00 N
122
+ ATOM 121 CA ASP A 15 22.202 13.238 -2.578 1.00 0.00 C
123
+ ATOM 122 C ASP A 15 22.717 14.616 -2.171 1.00 0.00 C
124
+ ATOM 123 CB ASP A 15 21.583 12.530 -1.371 1.00 0.00 C
125
+ ATOM 124 O ASP A 15 23.901 14.778 -1.869 1.00 0.00 O
126
+ ATOM 125 CG ASP A 15 20.832 11.264 -1.747 1.00 0.00 C
127
+ ATOM 126 OD1 ASP A 15 20.638 11.005 -2.954 1.00 0.00 O
128
+ ATOM 127 OD2 ASP A 15 20.429 10.520 -0.826 1.00 0.00 O
129
+ ATOM 128 N LEU A 16 21.943 15.542 -2.137 1.00 0.00 N
130
+ ATOM 129 CA LEU A 16 22.184 16.877 -1.604 1.00 0.00 C
131
+ ATOM 130 C LEU A 16 21.538 17.039 -0.231 1.00 0.00 C
132
+ ATOM 131 CB LEU A 16 21.646 17.943 -2.562 1.00 0.00 C
133
+ ATOM 132 O LEU A 16 20.339 16.806 -0.074 1.00 0.00 O
134
+ ATOM 133 CG LEU A 16 21.896 19.399 -2.167 1.00 0.00 C
135
+ ATOM 134 CD1 LEU A 16 23.384 19.725 -2.256 1.00 0.00 C
136
+ ATOM 135 CD2 LEU A 16 21.084 20.341 -3.050 1.00 0.00 C
137
+ ATOM 136 N SER A 17 22.314 17.348 0.773 1.00 0.00 N
138
+ ATOM 137 CA SER A 17 21.780 17.738 2.074 1.00 0.00 C
139
+ ATOM 138 C SER A 17 21.311 19.188 2.068 1.00 0.00 C
140
+ ATOM 139 CB SER A 17 22.832 17.539 3.167 1.00 0.00 C
141
+ ATOM 140 O SER A 17 21.915 20.039 1.410 1.00 0.00 O
142
+ ATOM 141 OG SER A 17 23.144 16.165 3.321 1.00 0.00 O
143
+ ATOM 142 N PHE A 18 20.323 19.526 2.708 1.00 0.00 N
144
+ ATOM 143 CA PHE A 18 19.858 20.903 2.830 1.00 0.00 C
145
+ ATOM 144 C PHE A 18 19.045 21.088 4.106 1.00 0.00 C
146
+ ATOM 145 CB PHE A 18 19.019 21.297 1.611 1.00 0.00 C
147
+ ATOM 146 O PHE A 18 18.553 20.115 4.681 1.00 0.00 O
148
+ ATOM 147 CG PHE A 18 17.904 20.334 1.304 1.00 0.00 C
149
+ ATOM 148 CD1 PHE A 18 18.074 19.331 0.357 1.00 0.00 C
150
+ ATOM 149 CD2 PHE A 18 16.685 20.432 1.962 1.00 0.00 C
151
+ ATOM 150 CE1 PHE A 18 17.043 18.439 0.070 1.00 0.00 C
152
+ ATOM 151 CE2 PHE A 18 15.651 19.543 1.682 1.00 0.00 C
153
+ ATOM 152 CZ PHE A 18 15.832 18.548 0.734 1.00 0.00 C
154
+ ATOM 153 N LYS A 19 18.987 22.332 4.591 1.00 0.00 N
155
+ ATOM 154 CA LYS A 19 18.253 22.732 5.789 1.00 0.00 C
156
+ ATOM 155 C LYS A 19 16.919 23.377 5.426 1.00 0.00 C
157
+ ATOM 156 CB LYS A 19 19.089 23.695 6.634 1.00 0.00 C
158
+ ATOM 157 O LYS A 19 16.780 23.966 4.352 1.00 0.00 O
159
+ ATOM 158 CG LYS A 19 20.376 23.088 7.174 1.00 0.00 C
160
+ ATOM 159 CD LYS A 19 20.093 22.026 8.228 1.00 0.00 C
161
+ ATOM 160 CE LYS A 19 21.367 21.593 8.942 1.00 0.00 C
162
+ ATOM 161 NZ LYS A 19 21.107 20.495 9.921 1.00 0.00 N
163
+ ATOM 162 N LYS A 20 15.882 23.281 6.302 1.00 0.00 N
164
+ ATOM 163 CA LYS A 20 14.598 23.954 6.126 1.00 0.00 C
165
+ ATOM 164 C LYS A 20 14.794 25.432 5.797 1.00 0.00 C
166
+ ATOM 165 CB LYS A 20 13.739 23.807 7.382 1.00 0.00 C
167
+ ATOM 166 O LYS A 20 15.559 26.127 6.470 1.00 0.00 O
168
+ ATOM 167 CG LYS A 20 12.366 24.455 7.272 1.00 0.00 C
169
+ ATOM 168 CD LYS A 20 11.578 24.320 8.569 1.00 0.00 C
170
+ ATOM 169 CE LYS A 20 10.228 25.018 8.480 1.00 0.00 C
171
+ ATOM 170 NZ LYS A 20 9.448 24.878 9.746 1.00 0.00 N
172
+ ATOM 171 N GLY A 21 14.162 25.973 4.770 1.00 0.00 N
173
+ ATOM 172 CA GLY A 21 14.212 27.377 4.394 1.00 0.00 C
174
+ ATOM 173 C GLY A 21 15.213 27.664 3.291 1.00 0.00 C
175
+ ATOM 174 O GLY A 21 15.213 28.753 2.713 1.00 0.00 O
176
+ ATOM 175 N GLU A 22 16.152 26.791 3.154 1.00 0.00 N
177
+ ATOM 176 CA GLU A 22 17.132 27.010 2.094 1.00 0.00 C
178
+ ATOM 177 C GLU A 22 16.458 27.086 0.726 1.00 0.00 C
179
+ ATOM 178 CB GLU A 22 18.188 25.902 2.100 1.00 0.00 C
180
+ ATOM 179 O GLU A 22 15.462 26.403 0.482 1.00 0.00 O
181
+ ATOM 180 CG GLU A 22 19.186 26.010 3.244 1.00 0.00 C
182
+ ATOM 181 CD GLU A 22 20.446 25.190 3.021 1.00 0.00 C
183
+ ATOM 182 OE1 GLU A 22 20.716 24.796 1.863 1.00 0.00 O
184
+ ATOM 183 OE2 GLU A 22 21.168 24.938 4.011 1.00 0.00 O
185
+ ATOM 184 N ARG A 23 16.873 27.914 -0.265 1.00 0.00 N
186
+ ATOM 185 CA ARG A 23 16.366 28.055 -1.626 1.00 0.00 C
187
+ ATOM 186 C ARG A 23 17.123 27.147 -2.589 1.00 0.00 C
188
+ ATOM 187 CB ARG A 23 16.465 29.509 -2.089 1.00 0.00 C
189
+ ATOM 188 O ARG A 23 18.354 27.093 -2.562 1.00 0.00 O
190
+ ATOM 189 CG ARG A 23 15.600 30.471 -1.291 1.00 0.00 C
191
+ ATOM 190 CD ARG A 23 15.749 31.905 -1.781 1.00 0.00 C
192
+ ATOM 191 NE ARG A 23 15.171 32.083 -3.110 1.00 0.00 N
193
+ ATOM 192 NH1 ARG A 23 15.846 34.281 -3.335 1.00 0.00 N
194
+ ATOM 193 NH2 ARG A 23 14.671 33.259 -5.018 1.00 0.00 N
195
+ ATOM 194 CZ ARG A 23 15.231 33.208 -3.818 1.00 0.00 C
196
+ ATOM 195 N LEU A 24 16.452 26.438 -3.454 1.00 0.00 N
197
+ ATOM 196 CA LEU A 24 16.990 25.421 -4.351 1.00 0.00 C
198
+ ATOM 197 C LEU A 24 16.554 25.680 -5.790 1.00 0.00 C
199
+ ATOM 198 CB LEU A 24 16.539 24.026 -3.912 1.00 0.00 C
200
+ ATOM 199 O LEU A 24 15.409 26.064 -6.036 1.00 0.00 O
201
+ ATOM 200 CG LEU A 24 16.906 23.612 -2.485 1.00 0.00 C
202
+ ATOM 201 CD1 LEU A 24 16.095 22.392 -2.063 1.00 0.00 C
203
+ ATOM 202 CD2 LEU A 24 18.400 23.332 -2.376 1.00 0.00 C
204
+ ATOM 203 N GLN A 25 17.461 25.654 -6.731 1.00 0.00 N
205
+ ATOM 204 CA GLN A 25 17.137 25.614 -8.154 1.00 0.00 C
206
+ ATOM 205 C GLN A 25 17.094 24.177 -8.667 1.00 0.00 C
207
+ ATOM 206 CB GLN A 25 18.151 26.428 -8.959 1.00 0.00 C
208
+ ATOM 207 O GLN A 25 18.064 23.430 -8.522 1.00 0.00 O
209
+ ATOM 208 CG GLN A 25 17.818 26.531 -10.441 1.00 0.00 C
210
+ ATOM 209 CD GLN A 25 18.805 27.393 -11.206 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 25 18.501 27.663 -12.471 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 25 19.832 27.813 -10.664 1.00 0.00 O
213
+ ATOM 212 N ILE A 26 15.915 23.784 -9.251 1.00 0.00 N
214
+ ATOM 213 CA ILE A 26 15.716 22.454 -9.816 1.00 0.00 C
215
+ ATOM 214 C ILE A 26 16.317 22.395 -11.218 1.00 0.00 C
216
+ ATOM 215 CB ILE A 26 14.217 22.077 -9.859 1.00 0.00 C
217
+ ATOM 216 O ILE A 26 15.978 23.207 -12.082 1.00 0.00 O
218
+ ATOM 217 CG1 ILE A 26 13.589 22.227 -8.469 1.00 0.00 C
219
+ ATOM 218 CG2 ILE A 26 14.035 20.652 -10.392 1.00 0.00 C
220
+ ATOM 219 CD1 ILE A 26 14.247 21.370 -7.396 1.00 0.00 C
221
+ ATOM 220 N VAL A 27 17.353 21.646 -11.426 1.00 0.00 N
222
+ ATOM 221 CA VAL A 27 18.079 21.497 -12.683 1.00 0.00 C
223
+ ATOM 222 C VAL A 27 17.382 20.461 -13.562 1.00 0.00 C
224
+ ATOM 223 CB VAL A 27 19.550 21.090 -12.444 1.00 0.00 C
225
+ ATOM 224 O VAL A 27 17.301 20.625 -14.781 1.00 0.00 O
226
+ ATOM 225 CG1 VAL A 27 20.274 20.878 -13.772 1.00 0.00 C
227
+ ATOM 226 CG2 VAL A 27 20.265 22.147 -11.604 1.00 0.00 C
228
+ ATOM 227 N ASN A 28 16.892 19.280 -13.076 1.00 0.00 N
229
+ ATOM 228 CA ASN A 28 16.242 18.189 -13.793 1.00 0.00 C
230
+ ATOM 229 C ASN A 28 15.197 17.492 -12.926 1.00 0.00 C
231
+ ATOM 230 CB ASN A 28 17.279 17.179 -14.290 1.00 0.00 C
232
+ ATOM 231 O ASN A 28 15.505 17.032 -11.825 1.00 0.00 O
233
+ ATOM 232 CG ASN A 28 16.683 16.137 -15.216 1.00 0.00 C
234
+ ATOM 233 ND2 ASN A 28 17.522 15.236 -15.712 1.00 0.00 N
235
+ ATOM 234 OD1 ASN A 28 15.479 16.143 -15.484 1.00 0.00 O
236
+ ATOM 235 N ASN A 29 13.871 17.555 -13.365 1.00 0.00 N
237
+ ATOM 236 CA ASN A 29 12.749 16.884 -12.718 1.00 0.00 C
238
+ ATOM 237 C ASN A 29 12.117 15.840 -13.634 1.00 0.00 C
239
+ ATOM 238 CB ASN A 29 11.699 17.903 -12.270 1.00 0.00 C
240
+ ATOM 239 O ASN A 29 10.941 15.505 -13.481 1.00 0.00 O
241
+ ATOM 240 CG ASN A 29 11.088 18.661 -13.433 1.00 0.00 C
242
+ ATOM 241 ND2 ASN A 29 10.181 19.582 -13.130 1.00 0.00 N
243
+ ATOM 242 OD1 ASN A 29 11.428 18.420 -14.594 1.00 0.00 O
244
+ ATOM 243 N THR A 30 12.753 15.415 -14.863 1.00 0.00 N
245
+ ATOM 244 CA THR A 30 12.045 14.748 -15.950 1.00 0.00 C
246
+ ATOM 245 C THR A 30 11.691 13.314 -15.565 1.00 0.00 C
247
+ ATOM 246 CB THR A 30 12.882 14.742 -17.243 1.00 0.00 C
248
+ ATOM 247 O THR A 30 10.682 12.773 -16.022 1.00 0.00 O
249
+ ATOM 248 CG2 THR A 30 12.853 16.107 -17.922 1.00 0.00 C
250
+ ATOM 249 OG1 THR A 30 14.238 14.409 -16.925 1.00 0.00 O
251
+ ATOM 250 N GLU A 31 12.123 12.717 -14.433 1.00 0.00 N
252
+ ATOM 251 CA GLU A 31 11.736 11.346 -14.113 1.00 0.00 C
253
+ ATOM 252 C GLU A 31 12.054 11.008 -12.659 1.00 0.00 C
254
+ ATOM 253 CB GLU A 31 12.435 10.356 -15.048 1.00 0.00 C
255
+ ATOM 254 O GLU A 31 13.143 11.313 -12.169 1.00 0.00 O
256
+ ATOM 255 CG GLU A 31 11.817 10.283 -16.437 1.00 0.00 C
257
+ ATOM 256 CD GLU A 31 12.386 9.156 -17.286 1.00 0.00 C
258
+ ATOM 257 OE1 GLU A 31 13.319 8.459 -16.826 1.00 0.00 O
259
+ ATOM 258 OE2 GLU A 31 11.894 8.969 -18.421 1.00 0.00 O
260
+ ATOM 259 N GLY A 32 10.930 10.735 -11.917 1.00 0.00 N
261
+ ATOM 260 CA GLY A 32 10.922 10.082 -10.618 1.00 0.00 C
262
+ ATOM 261 C GLY A 32 10.793 11.056 -9.461 1.00 0.00 C
263
+ ATOM 262 O GLY A 32 10.338 12.187 -9.644 1.00 0.00 O
264
+ ATOM 263 N ASP A 33 10.788 10.535 -8.194 1.00 0.00 N
265
+ ATOM 264 CA ASP A 33 10.555 11.256 -6.947 1.00 0.00 C
266
+ ATOM 265 C ASP A 33 11.805 12.017 -6.511 1.00 0.00 C
267
+ ATOM 266 CB ASP A 33 10.116 10.291 -5.843 1.00 0.00 C
268
+ ATOM 267 O ASP A 33 11.777 12.752 -5.521 1.00 0.00 O
269
+ ATOM 268 CG ASP A 33 8.734 9.709 -6.079 1.00 0.00 C
270
+ ATOM 269 OD1 ASP A 33 7.907 10.358 -6.756 1.00 0.00 O
271
+ ATOM 270 OD2 ASP A 33 8.468 8.593 -5.583 1.00 0.00 O
272
+ ATOM 271 N TRP A 34 12.901 11.861 -7.259 1.00 0.00 N
273
+ ATOM 272 CA TRP A 34 14.152 12.522 -6.905 1.00 0.00 C
274
+ ATOM 273 C TRP A 34 14.576 13.506 -7.991 1.00 0.00 C
275
+ ATOM 274 CB TRP A 34 15.260 11.489 -6.673 1.00 0.00 C
276
+ ATOM 275 O TRP A 34 14.677 13.140 -9.163 1.00 0.00 O
277
+ ATOM 276 CG TRP A 34 15.008 10.577 -5.510 1.00 0.00 C
278
+ ATOM 277 CD1 TRP A 34 14.217 9.463 -5.493 1.00 0.00 C
279
+ ATOM 278 CD2 TRP A 34 15.549 10.706 -4.192 1.00 0.00 C
280
+ ATOM 279 CE2 TRP A 34 15.043 9.632 -3.427 1.00 0.00 C
281
+ ATOM 280 CE3 TRP A 34 16.415 11.624 -3.584 1.00 0.00 C
282
+ ATOM 281 NE1 TRP A 34 14.234 8.889 -4.243 1.00 0.00 N
283
+ ATOM 282 CH2 TRP A 34 16.223 10.365 -1.511 1.00 0.00 C
284
+ ATOM 283 CZ2 TRP A 34 15.375 9.452 -2.082 1.00 0.00 C
285
+ ATOM 284 CZ3 TRP A 34 16.744 11.443 -2.246 1.00 0.00 C
286
+ ATOM 285 N TRP A 35 14.766 14.595 -7.622 1.00 0.00 N
287
+ ATOM 286 CA TRP A 35 15.075 15.678 -8.551 1.00 0.00 C
288
+ ATOM 287 C TRP A 35 16.515 16.148 -8.380 1.00 0.00 C
289
+ ATOM 288 CB TRP A 35 14.114 16.852 -8.346 1.00 0.00 C
290
+ ATOM 289 O TRP A 35 17.053 16.132 -7.269 1.00 0.00 O
291
+ ATOM 290 CG TRP A 35 12.707 16.572 -8.785 1.00 0.00 C
292
+ ATOM 291 CD1 TRP A 35 12.244 15.437 -9.391 1.00 0.00 C
293
+ ATOM 292 CD2 TRP A 35 11.583 17.447 -8.658 1.00 0.00 C
294
+ ATOM 293 CE2 TRP A 35 10.467 16.776 -9.207 1.00 0.00 C
295
+ ATOM 294 CE3 TRP A 35 11.409 18.734 -8.131 1.00 0.00 C
296
+ ATOM 295 NE1 TRP A 35 10.897 15.553 -9.645 1.00 0.00 N
297
+ ATOM 296 CH2 TRP A 35 9.052 18.610 -8.722 1.00 0.00 C
298
+ ATOM 297 CZ2 TRP A 35 9.194 17.350 -9.242 1.00 0.00 C
299
+ ATOM 298 CZ3 TRP A 35 10.142 19.304 -8.169 1.00 0.00 C
300
+ ATOM 299 N LEU A 36 17.159 16.437 -9.457 1.00 0.00 N
301
+ ATOM 300 CA LEU A 36 18.461 17.090 -9.380 1.00 0.00 C
302
+ ATOM 301 C LEU A 36 18.307 18.577 -9.080 1.00 0.00 C
303
+ ATOM 302 CB LEU A 36 19.236 16.899 -10.686 1.00 0.00 C
304
+ ATOM 303 O LEU A 36 17.577 19.284 -9.779 1.00 0.00 O
305
+ ATOM 304 CG LEU A 36 20.693 17.363 -10.685 1.00 0.00 C
306
+ ATOM 305 CD1 LEU A 36 21.507 16.552 -9.684 1.00 0.00 C
307
+ ATOM 306 CD2 LEU A 36 21.291 17.252 -12.084 1.00 0.00 C
308
+ ATOM 307 N ALA A 37 19.046 19.011 -8.069 1.00 0.00 N
309
+ ATOM 308 CA ALA A 37 18.873 20.381 -7.593 1.00 0.00 C
310
+ ATOM 309 C ALA A 37 20.220 21.039 -7.314 1.00 0.00 C
311
+ ATOM 310 CB ALA A 37 18.003 20.402 -6.339 1.00 0.00 C
312
+ ATOM 311 O ALA A 37 21.220 20.351 -7.089 1.00 0.00 O
313
+ ATOM 312 N HIS A 38 20.269 22.330 -7.401 1.00 0.00 N
314
+ ATOM 313 CA HIS A 38 21.386 23.187 -7.023 1.00 0.00 C
315
+ ATOM 314 C HIS A 38 20.997 24.134 -5.892 1.00 0.00 C
316
+ ATOM 315 CB HIS A 38 21.881 23.986 -8.229 1.00 0.00 C
317
+ ATOM 316 O HIS A 38 20.048 24.908 -6.025 1.00 0.00 O
318
+ ATOM 317 CG HIS A 38 23.074 24.841 -7.935 1.00 0.00 C
319
+ ATOM 318 CD2 HIS A 38 23.179 26.169 -7.699 1.00 0.00 C
320
+ ATOM 319 ND1 HIS A 38 24.353 24.333 -7.863 1.00 0.00 N
321
+ ATOM 320 CE1 HIS A 38 25.196 25.315 -7.593 1.00 0.00 C
322
+ ATOM 321 NE2 HIS A 38 24.509 26.440 -7.488 1.00 0.00 N
323
+ ATOM 322 N SER A 39 21.734 24.048 -4.658 1.00 0.00 N
324
+ ATOM 323 CA SER A 39 21.493 24.939 -3.528 1.00 0.00 C
325
+ ATOM 324 C SER A 39 22.070 26.327 -3.784 1.00 0.00 C
326
+ ATOM 325 CB SER A 39 22.096 24.356 -2.248 1.00 0.00 C
327
+ ATOM 326 O SER A 39 23.269 26.470 -4.034 1.00 0.00 O
328
+ ATOM 327 OG SER A 39 22.091 25.318 -1.207 1.00 0.00 O
329
+ ATOM 328 N LEU A 40 21.256 27.273 -3.741 1.00 0.00 N
330
+ ATOM 329 CA LEU A 40 21.724 28.649 -3.855 1.00 0.00 C
331
+ ATOM 330 C LEU A 40 22.421 29.095 -2.572 1.00 0.00 C
332
+ ATOM 331 CB LEU A 40 20.557 29.589 -4.168 1.00 0.00 C
333
+ ATOM 332 O LEU A 40 23.068 30.143 -2.546 1.00 0.00 O
334
+ ATOM 333 CG LEU A 40 19.786 29.306 -5.459 1.00 0.00 C
335
+ ATOM 334 CD1 LEU A 40 18.573 30.224 -5.564 1.00 0.00 C
336
+ ATOM 335 CD2 LEU A 40 20.695 29.471 -6.672 1.00 0.00 C
337
+ ATOM 336 N THR A 41 22.287 28.382 -1.423 1.00 0.00 N
338
+ ATOM 337 CA THR A 41 22.887 28.699 -0.132 1.00 0.00 C
339
+ ATOM 338 C THR A 41 24.270 28.067 -0.007 1.00 0.00 C
340
+ ATOM 339 CB THR A 41 21.995 28.221 1.030 1.00 0.00 C
341
+ ATOM 340 O THR A 41 25.242 28.748 0.328 1.00 0.00 O
342
+ ATOM 341 CG2 THR A 41 22.581 28.631 2.377 1.00 0.00 C
343
+ ATOM 342 OG1 THR A 41 20.691 28.800 0.892 1.00 0.00 O
344
+ ATOM 343 N THR A 42 24.385 26.786 -0.333 1.00 0.00 N
345
+ ATOM 344 CA THR A 42 25.639 26.083 -0.089 1.00 0.00 C
346
+ ATOM 345 C THR A 42 26.438 25.940 -1.381 1.00 0.00 C
347
+ ATOM 346 CB THR A 42 25.390 24.691 0.521 1.00 0.00 C
348
+ ATOM 347 O THR A 42 27.635 25.645 -1.347 1.00 0.00 O
349
+ ATOM 348 CG2 THR A 42 24.535 24.787 1.780 1.00 0.00 C
350
+ ATOM 349 OG1 THR A 42 24.716 23.869 -0.439 1.00 0.00 O
351
+ ATOM 350 N GLY A 43 25.749 26.119 -2.608 1.00 0.00 N
352
+ ATOM 351 CA GLY A 43 26.427 25.960 -3.885 1.00 0.00 C
353
+ ATOM 352 C GLY A 43 26.558 24.511 -4.315 1.00 0.00 C
354
+ ATOM 353 O GLY A 43 27.201 24.213 -5.323 1.00 0.00 O
355
+ ATOM 354 N GLN A 44 26.112 23.588 -3.599 1.00 0.00 N
356
+ ATOM 355 CA GLN A 44 26.252 22.169 -3.907 1.00 0.00 C
357
+ ATOM 356 C GLN A 44 25.100 21.680 -4.781 1.00 0.00 C
358
+ ATOM 357 CB GLN A 44 26.321 21.345 -2.621 1.00 0.00 C
359
+ ATOM 358 O GLN A 44 23.981 22.185 -4.682 1.00 0.00 O
360
+ ATOM 359 CG GLN A 44 27.558 21.621 -1.778 1.00 0.00 C
361
+ ATOM 360 CD GLN A 44 27.625 20.757 -0.532 1.00 0.00 C
362
+ ATOM 361 NE2 GLN A 44 28.834 20.537 -0.027 1.00 0.00 N
363
+ ATOM 362 OE1 GLN A 44 26.599 20.292 -0.028 1.00 0.00 O
364
+ ATOM 363 N THR A 45 25.350 20.720 -5.603 1.00 0.00 N
365
+ ATOM 364 CA THR A 45 24.374 20.080 -6.478 1.00 0.00 C
366
+ ATOM 365 C THR A 45 24.194 18.611 -6.105 1.00 0.00 C
367
+ ATOM 366 CB THR A 45 24.792 20.189 -7.956 1.00 0.00 C
368
+ ATOM 367 O THR A 45 25.160 17.934 -5.746 1.00 0.00 O
369
+ ATOM 368 CG2 THR A 45 23.783 19.496 -8.866 1.00 0.00 C
370
+ ATOM 369 OG1 THR A 45 24.875 21.573 -8.321 1.00 0.00 O
371
+ ATOM 370 N GLY A 46 23.045 18.123 -6.151 1.00 0.00 N
372
+ ATOM 371 CA GLY A 46 22.731 16.720 -5.936 1.00 0.00 C
373
+ ATOM 372 C GLY A 46 21.245 16.424 -6.001 1.00 0.00 C
374
+ ATOM 373 O GLY A 46 20.438 17.321 -6.249 1.00 0.00 O
375
+ ATOM 374 N TYR A 47 20.789 15.255 -5.741 1.00 0.00 N
376
+ ATOM 375 CA TYR A 47 19.399 14.821 -5.805 1.00 0.00 C
377
+ ATOM 376 C TYR A 47 18.672 15.125 -4.501 1.00 0.00 C
378
+ ATOM 377 CB TYR A 47 19.317 13.323 -6.111 1.00 0.00 C
379
+ ATOM 378 O TYR A 47 19.247 14.995 -3.417 1.00 0.00 O
380
+ ATOM 379 CG TYR A 47 19.645 12.977 -7.543 1.00 0.00 C
381
+ ATOM 380 CD1 TYR A 47 18.688 13.103 -8.548 1.00 0.00 C
382
+ ATOM 381 CD2 TYR A 47 20.912 12.521 -7.894 1.00 0.00 C
383
+ ATOM 382 CE1 TYR A 47 18.986 12.784 -9.868 1.00 0.00 C
384
+ ATOM 383 CE2 TYR A 47 21.220 12.198 -9.212 1.00 0.00 C
385
+ ATOM 384 OH TYR A 47 20.552 12.015 -11.496 1.00 0.00 O
386
+ ATOM 385 CZ TYR A 47 20.253 12.333 -10.190 1.00 0.00 C
387
+ ATOM 386 N ILE A 48 17.474 15.376 -4.598 1.00 0.00 N
388
+ ATOM 387 CA ILE A 48 16.613 15.669 -3.457 1.00 0.00 C
389
+ ATOM 388 C ILE A 48 15.263 14.980 -3.637 1.00 0.00 C
390
+ ATOM 389 CB ILE A 48 16.418 17.192 -3.274 1.00 0.00 C
391
+ ATOM 390 O ILE A 48 14.818 14.757 -4.765 1.00 0.00 O
392
+ ATOM 391 CG1 ILE A 48 15.721 17.792 -4.501 1.00 0.00 C
393
+ ATOM 392 CG2 ILE A 48 17.760 17.881 -3.014 1.00 0.00 C
394
+ ATOM 393 CD1 ILE A 48 15.227 19.217 -4.297 1.00 0.00 C
395
+ ATOM 394 N PRO A 49 14.679 14.573 -2.537 1.00 0.00 N
396
+ ATOM 395 CA PRO A 49 13.290 14.127 -2.670 1.00 0.00 C
397
+ ATOM 396 C PRO A 49 12.345 15.255 -3.079 1.00 0.00 C
398
+ ATOM 397 CB PRO A 49 12.949 13.610 -1.270 1.00 0.00 C
399
+ ATOM 398 O PRO A 49 12.316 16.306 -2.432 1.00 0.00 O
400
+ ATOM 399 CG PRO A 49 14.029 14.151 -0.389 1.00 0.00 C
401
+ ATOM 400 CD PRO A 49 15.094 14.756 -1.257 1.00 0.00 C
402
+ ATOM 401 N SER A 50 11.546 15.105 -4.024 1.00 0.00 N
403
+ ATOM 402 CA SER A 50 10.746 16.168 -4.626 1.00 0.00 C
404
+ ATOM 403 C SER A 50 9.690 16.682 -3.655 1.00 0.00 C
405
+ ATOM 404 CB SER A 50 10.075 15.674 -5.908 1.00 0.00 C
406
+ ATOM 405 O SER A 50 9.252 17.830 -3.756 1.00 0.00 O
407
+ ATOM 406 OG SER A 50 9.195 14.598 -5.632 1.00 0.00 O
408
+ ATOM 407 N ASN A 51 9.232 15.796 -2.686 1.00 0.00 N
409
+ ATOM 408 CA ASN A 51 8.181 16.201 -1.759 1.00 0.00 C
410
+ ATOM 409 C ASN A 51 8.746 16.991 -0.583 1.00 0.00 C
411
+ ATOM 410 CB ASN A 51 7.408 14.979 -1.257 1.00 0.00 C
412
+ ATOM 411 O ASN A 51 8.017 17.330 0.352 1.00 0.00 O
413
+ ATOM 412 CG ASN A 51 8.290 13.994 -0.515 1.00 0.00 C
414
+ ATOM 413 ND2 ASN A 51 7.671 13.103 0.250 1.00 0.00 N
415
+ ATOM 414 OD1 ASN A 51 9.517 14.035 -0.628 1.00 0.00 O
416
+ ATOM 415 N TYR A 52 10.003 17.318 -0.512 1.00 0.00 N
417
+ ATOM 416 CA TYR A 52 10.614 18.096 0.560 1.00 0.00 C
418
+ ATOM 417 C TYR A 52 10.717 19.567 0.177 1.00 0.00 C
419
+ ATOM 418 CB TYR A 52 12.003 17.546 0.899 1.00 0.00 C
420
+ ATOM 419 O TYR A 52 11.263 20.375 0.931 1.00 0.00 O
421
+ ATOM 420 CG TYR A 52 11.979 16.407 1.888 1.00 0.00 C
422
+ ATOM 421 CD1 TYR A 52 10.794 15.737 2.181 1.00 0.00 C
423
+ ATOM 422 CD2 TYR A 52 13.142 15.999 2.533 1.00 0.00 C
424
+ ATOM 423 CE1 TYR A 52 10.766 14.687 3.093 1.00 0.00 C
425
+ ATOM 424 CE2 TYR A 52 13.127 14.950 3.448 1.00 0.00 C
426
+ ATOM 425 OH TYR A 52 11.916 13.263 4.625 1.00 0.00 O
427
+ ATOM 426 CZ TYR A 52 11.937 14.301 3.721 1.00 0.00 C
428
+ ATOM 427 N VAL A 53 10.210 19.915 -1.101 1.00 0.00 N
429
+ ATOM 428 CA VAL A 53 10.383 21.295 -1.542 1.00 0.00 C
430
+ ATOM 429 C VAL A 53 9.059 21.836 -2.077 1.00 0.00 C
431
+ ATOM 430 CB VAL A 53 11.483 21.411 -2.623 1.00 0.00 C
432
+ ATOM 431 O VAL A 53 8.178 21.066 -2.466 1.00 0.00 O
433
+ ATOM 432 CG1 VAL A 53 12.834 20.963 -2.069 1.00 0.00 C
434
+ ATOM 433 CG2 VAL A 53 11.107 20.590 -3.854 1.00 0.00 C
435
+ ATOM 434 N ALA A 54 8.899 23.085 -2.015 1.00 0.00 N
436
+ ATOM 435 CA ALA A 54 7.750 23.808 -2.554 1.00 0.00 C
437
+ ATOM 436 C ALA A 54 8.195 25.023 -3.363 1.00 0.00 C
438
+ ATOM 437 CB ALA A 54 6.816 24.239 -1.426 1.00 0.00 C
439
+ ATOM 438 O ALA A 54 9.271 25.575 -3.122 1.00 0.00 O
440
+ ATOM 439 N PRO A 55 7.447 25.430 -4.496 1.00 0.00 N
441
+ ATOM 440 CA PRO A 55 7.771 26.661 -5.220 1.00 0.00 C
442
+ ATOM 441 C PRO A 55 7.735 27.898 -4.325 1.00 0.00 C
443
+ ATOM 442 CB PRO A 55 6.685 26.735 -6.296 1.00 0.00 C
444
+ ATOM 443 O PRO A 55 6.920 27.973 -3.400 1.00 0.00 O
445
+ ATOM 444 CG PRO A 55 6.096 25.361 -6.338 1.00 0.00 C
446
+ ATOM 445 CD PRO A 55 6.291 24.717 -4.995 1.00 0.00 C
447
+ ATOM 446 N SER A 56 8.610 28.748 -4.454 1.00 0.00 N
448
+ ATOM 447 CA SER A 56 8.591 30.017 -3.732 1.00 0.00 C
449
+ ATOM 448 C SER A 56 7.986 31.127 -4.583 1.00 0.00 C
450
+ ATOM 449 CB SER A 56 10.005 30.407 -3.299 1.00 0.00 C
451
+ ATOM 450 O SER A 56 8.139 31.135 -5.805 1.00 0.00 O
452
+ ATOM 451 OG SER A 56 10.768 30.846 -4.410 1.00 0.00 O
453
+ ATOM 452 OXT SER A 56 7.550 31.589 -3.553 1.00 0.00 O
454
+ TER 453 SER A 56
455
+ END
1prm/1prm_protein_processed_fix.pdb ADDED
@@ -0,0 +1,877 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N THR A 1 13.465 29.044 -8.531 1.00 0.00 N
3
+ ATOM 2 CA THR A 1 14.057 28.920 -7.169 1.00 0.00 C
4
+ ATOM 3 C THR A 1 13.119 28.109 -6.274 1.00 0.00 C
5
+ ATOM 4 O THR A 1 11.955 28.428 -6.127 1.00 0.00 O
6
+ ATOM 5 CB THR A 1 14.254 30.313 -6.567 1.00 0.00 C
7
+ ATOM 6 OG1 THR A 1 14.212 31.286 -7.606 1.00 0.00 O
8
+ ATOM 7 CG2 THR A 1 15.605 30.373 -5.850 1.00 0.00 C
9
+ ATOM 8 HA THR A 1 14.914 28.470 -7.232 1.00 0.00 H
10
+ ATOM 9 HB THR A 1 13.547 30.496 -5.928 1.00 0.00 H
11
+ ATOM 10 HG1 THR A 1 13.924 30.931 -8.311 1.00 0.00 H
12
+ ATOM 11 HG21 THR A 1 15.730 31.256 -5.468 1.00 0.00 H
13
+ ATOM 12 HG22 THR A 1 15.626 29.710 -5.143 1.00 0.00 H
14
+ ATOM 13 HG23 THR A 1 16.316 30.192 -6.484 1.00 0.00 H
15
+ ATOM 14 N PHE A 2 13.613 27.060 -5.676 1.00 0.00 N
16
+ ATOM 15 CA PHE A 2 12.749 26.231 -4.790 1.00 0.00 C
17
+ ATOM 16 C PHE A 2 13.217 26.384 -3.342 1.00 0.00 C
18
+ ATOM 17 O PHE A 2 14.292 26.885 -3.078 1.00 0.00 O
19
+ ATOM 18 CB PHE A 2 12.846 24.762 -5.208 1.00 0.00 C
20
+ ATOM 19 CG PHE A 2 11.759 24.453 -6.240 1.00 0.00 C
21
+ ATOM 20 CD1 PHE A 2 11.436 25.379 -7.214 1.00 0.00 C
22
+ ATOM 21 CD2 PHE A 2 11.089 23.242 -6.214 1.00 0.00 C
23
+ ATOM 22 CE1 PHE A 2 10.460 25.101 -8.148 1.00 0.00 C
24
+ ATOM 23 CE2 PHE A 2 10.112 22.964 -7.149 1.00 0.00 C
25
+ ATOM 24 CZ PHE A 2 9.798 23.894 -8.116 1.00 0.00 C
26
+ ATOM 25 H PHE A 2 14.427 26.791 -5.749 1.00 0.00 H
27
+ ATOM 26 HA PHE A 2 11.828 26.525 -4.866 1.00 0.00 H
28
+ ATOM 27 HB2 PHE A 2 13.722 24.579 -5.582 1.00 0.00 H
29
+ ATOM 28 HB3 PHE A 2 12.743 24.188 -4.433 1.00 0.00 H
30
+ ATOM 29 HD1 PHE A 2 11.880 26.196 -7.240 1.00 0.00 H
31
+ ATOM 30 HD2 PHE A 2 11.298 22.612 -5.563 1.00 0.00 H
32
+ ATOM 31 HE1 PHE A 2 10.249 25.729 -8.800 1.00 0.00 H
33
+ ATOM 32 HE2 PHE A 2 9.666 22.149 -7.126 1.00 0.00 H
34
+ ATOM 33 HZ PHE A 2 9.140 23.707 -8.746 1.00 0.00 H
35
+ ATOM 34 N VAL A 3 12.422 25.953 -2.401 1.00 0.00 N
36
+ ATOM 35 CA VAL A 3 12.827 26.077 -0.972 1.00 0.00 C
37
+ ATOM 36 C VAL A 3 12.726 24.710 -0.293 1.00 0.00 C
38
+ ATOM 37 O VAL A 3 11.865 23.912 -0.607 1.00 0.00 O
39
+ ATOM 38 CB VAL A 3 11.906 27.073 -0.264 1.00 0.00 C
40
+ ATOM 39 CG1 VAL A 3 12.500 27.436 1.098 1.00 0.00 C
41
+ ATOM 40 CG2 VAL A 3 11.773 28.338 -1.114 1.00 0.00 C
42
+ ATOM 41 H VAL A 3 11.654 25.589 -2.535 1.00 0.00 H
43
+ ATOM 42 HA VAL A 3 13.742 26.394 -0.921 1.00 0.00 H
44
+ ATOM 43 HB VAL A 3 11.031 26.673 -0.140 1.00 0.00 H
45
+ ATOM 44 HG11 VAL A 3 11.917 28.067 1.548 1.00 0.00 H
46
+ ATOM 45 HG12 VAL A 3 12.586 26.635 1.638 1.00 0.00 H
47
+ ATOM 46 HG13 VAL A 3 13.375 27.836 0.973 1.00 0.00 H
48
+ ATOM 47 HG21 VAL A 3 11.189 28.970 -0.665 1.00 0.00 H
49
+ ATOM 48 HG22 VAL A 3 12.648 28.738 -1.238 1.00 0.00 H
50
+ ATOM 49 HG23 VAL A 3 11.398 28.109 -1.979 1.00 0.00 H
51
+ ATOM 50 N ALA A 4 13.598 24.435 0.637 1.00 0.00 N
52
+ ATOM 51 CA ALA A 4 13.553 23.119 1.335 1.00 0.00 C
53
+ ATOM 52 C ALA A 4 12.456 23.127 2.404 1.00 0.00 C
54
+ ATOM 53 O ALA A 4 12.571 23.777 3.424 1.00 0.00 O
55
+ ATOM 54 CB ALA A 4 14.906 22.849 1.996 1.00 0.00 C
56
+ ATOM 55 H ALA A 4 14.223 24.966 0.896 1.00 0.00 H
57
+ ATOM 56 HA ALA A 4 13.359 22.423 0.688 1.00 0.00 H
58
+ ATOM 57 HB1 ALA A 4 14.879 21.993 2.451 1.00 0.00 H
59
+ ATOM 58 HB2 ALA A 4 15.600 22.833 1.318 1.00 0.00 H
60
+ ATOM 59 HB3 ALA A 4 15.098 23.550 2.638 1.00 0.00 H
61
+ ATOM 60 N LEU A 5 11.391 22.407 2.174 1.00 0.00 N
62
+ ATOM 61 CA LEU A 5 10.282 22.362 3.167 1.00 0.00 C
63
+ ATOM 62 C LEU A 5 10.723 21.527 4.367 1.00 0.00 C
64
+ ATOM 63 O LEU A 5 10.229 21.686 5.465 1.00 0.00 O
65
+ ATOM 64 CB LEU A 5 9.055 21.706 2.532 1.00 0.00 C
66
+ ATOM 65 CG LEU A 5 8.437 22.651 1.501 1.00 0.00 C
67
+ ATOM 66 CD1 LEU A 5 7.075 22.104 1.073 1.00 0.00 C
68
+ ATOM 67 CD2 LEU A 5 8.260 24.040 2.118 1.00 0.00 C
69
+ ATOM 68 H LEU A 5 11.265 21.933 1.467 1.00 0.00 H
70
+ ATOM 69 HA LEU A 5 10.062 23.263 3.449 1.00 0.00 H
71
+ ATOM 70 HB2 LEU A 5 9.308 20.871 2.107 1.00 0.00 H
72
+ ATOM 71 HB3 LEU A 5 8.403 21.490 3.217 1.00 0.00 H
73
+ ATOM 72 HG LEU A 5 9.020 22.717 0.729 1.00 0.00 H
74
+ ATOM 73 HD11 LEU A 5 6.678 22.700 0.419 1.00 0.00 H
75
+ ATOM 74 HD12 LEU A 5 7.188 21.224 0.682 1.00 0.00 H
76
+ ATOM 75 HD13 LEU A 5 6.494 22.041 1.847 1.00 0.00 H
77
+ ATOM 76 HD21 LEU A 5 7.868 24.638 1.462 1.00 0.00 H
78
+ ATOM 77 HD22 LEU A 5 7.676 23.979 2.890 1.00 0.00 H
79
+ ATOM 78 HD23 LEU A 5 9.124 24.385 2.393 1.00 0.00 H
80
+ ATOM 79 N TYR A 6 11.655 20.637 4.163 1.00 0.00 N
81
+ ATOM 80 CA TYR A 6 12.133 19.787 5.287 1.00 0.00 C
82
+ ATOM 81 C TYR A 6 13.652 19.630 5.205 1.00 0.00 C
83
+ ATOM 82 O TYR A 6 14.241 19.757 4.150 1.00 0.00 O
84
+ ATOM 83 CB TYR A 6 11.467 18.422 5.182 1.00 0.00 C
85
+ ATOM 84 CG TYR A 6 9.956 18.625 5.134 1.00 0.00 C
86
+ ATOM 85 CD1 TYR A 6 9.342 19.042 3.973 1.00 0.00 C
87
+ ATOM 86 CD2 TYR A 6 9.191 18.411 6.256 1.00 0.00 C
88
+ ATOM 87 CE1 TYR A 6 7.979 19.240 3.934 1.00 0.00 C
89
+ ATOM 88 CE2 TYR A 6 7.825 18.606 6.221 1.00 0.00 C
90
+ ATOM 89 CZ TYR A 6 7.208 19.023 5.058 1.00 0.00 C
91
+ ATOM 90 OH TYR A 6 5.843 19.219 5.021 1.00 0.00 O
92
+ ATOM 91 H TYR A 6 12.035 20.490 3.406 1.00 0.00 H
93
+ ATOM 92 HA TYR A 6 11.906 20.200 6.135 1.00 0.00 H
94
+ ATOM 93 HB2 TYR A 6 11.771 17.959 4.386 1.00 0.00 H
95
+ ATOM 94 HB3 TYR A 6 11.709 17.869 5.941 1.00 0.00 H
96
+ ATOM 95 HD1 TYR A 6 9.852 19.191 3.210 1.00 0.00 H
97
+ ATOM 96 HD2 TYR A 6 9.597 18.133 7.045 1.00 0.00 H
98
+ ATOM 97 HE1 TYR A 6 7.576 19.522 3.145 1.00 0.00 H
99
+ ATOM 98 HE2 TYR A 6 7.317 18.456 6.985 1.00 0.00 H
100
+ ATOM 99 HH TYR A 6 5.618 19.483 4.256 1.00 0.00 H
101
+ ATOM 100 N ASP A 7 14.292 19.355 6.308 1.00 0.00 N
102
+ ATOM 101 CA ASP A 7 15.771 19.191 6.288 1.00 0.00 C
103
+ ATOM 102 C ASP A 7 16.125 17.840 5.662 1.00 0.00 C
104
+ ATOM 103 O ASP A 7 16.134 16.820 6.322 1.00 0.00 O
105
+ ATOM 104 CB ASP A 7 16.314 19.251 7.718 1.00 0.00 C
106
+ ATOM 105 CG ASP A 7 15.376 18.494 8.661 1.00 0.00 C
107
+ ATOM 106 OD1 ASP A 7 15.021 17.372 8.338 1.00 0.00 O
108
+ ATOM 107 OD2 ASP A 7 15.028 19.049 9.691 1.00 0.00 O
109
+ ATOM 108 H ASP A 7 13.923 19.255 7.078 1.00 0.00 H
110
+ ATOM 109 HA ASP A 7 16.168 19.904 5.764 1.00 0.00 H
111
+ ATOM 110 HB2 ASP A 7 17.202 18.863 7.752 1.00 0.00 H
112
+ ATOM 111 HB3 ASP A 7 16.397 20.174 8.003 1.00 0.00 H
113
+ ATOM 112 N TYR A 8 16.416 17.827 4.390 1.00 0.00 N
114
+ ATOM 113 CA TYR A 8 16.769 16.547 3.714 1.00 0.00 C
115
+ ATOM 114 C TYR A 8 18.125 16.056 4.227 1.00 0.00 C
116
+ ATOM 115 O TYR A 8 19.135 16.713 4.066 1.00 0.00 O
117
+ ATOM 116 CB TYR A 8 16.843 16.780 2.205 1.00 0.00 C
118
+ ATOM 117 CG TYR A 8 17.388 15.530 1.513 1.00 0.00 C
119
+ ATOM 118 CD1 TYR A 8 17.078 14.272 1.988 1.00 0.00 C
120
+ ATOM 119 CD2 TYR A 8 18.194 15.643 0.399 1.00 0.00 C
121
+ ATOM 120 CE1 TYR A 8 17.567 13.145 1.358 1.00 0.00 C
122
+ ATOM 121 CE2 TYR A 8 18.682 14.517 -0.231 1.00 0.00 C
123
+ ATOM 122 CZ TYR A 8 18.373 13.259 0.243 1.00 0.00 C
124
+ ATOM 123 OH TYR A 8 18.862 12.133 -0.386 1.00 0.00 O
125
+ ATOM 124 H TYR A 8 16.423 18.521 3.883 1.00 0.00 H
126
+ ATOM 125 HA TYR A 8 16.093 15.878 3.906 1.00 0.00 H
127
+ ATOM 126 HB2 TYR A 8 15.962 16.993 1.859 1.00 0.00 H
128
+ ATOM 127 HB3 TYR A 8 17.414 17.540 2.014 1.00 0.00 H
129
+ ATOM 128 HD1 TYR A 8 16.536 14.183 2.738 1.00 0.00 H
130
+ ATOM 129 HD2 TYR A 8 18.410 16.486 0.070 1.00 0.00 H
131
+ ATOM 130 HE1 TYR A 8 17.352 12.302 1.687 1.00 0.00 H
132
+ ATOM 131 HE2 TYR A 8 19.224 14.607 -0.982 1.00 0.00 H
133
+ ATOM 132 HH TYR A 8 18.408 11.977 -1.075 1.00 0.00 H
134
+ ATOM 133 N GLU A 9 18.155 14.905 4.842 1.00 0.00 N
135
+ ATOM 134 CA GLU A 9 19.445 14.372 5.365 1.00 0.00 C
136
+ ATOM 135 C GLU A 9 19.916 13.211 4.485 1.00 0.00 C
137
+ ATOM 136 O GLU A 9 19.798 12.058 4.849 1.00 0.00 O
138
+ ATOM 137 CB GLU A 9 19.244 13.876 6.798 1.00 0.00 C
139
+ ATOM 138 CG GLU A 9 20.567 13.965 7.561 1.00 0.00 C
140
+ ATOM 139 CD GLU A 9 20.292 13.902 9.065 1.00 0.00 C
141
+ ATOM 140 OE1 GLU A 9 19.726 14.850 9.584 1.00 0.00 O
142
+ ATOM 141 OE2 GLU A 9 20.651 12.907 9.672 1.00 0.00 O
143
+ ATOM 142 H GLU A 9 17.470 14.404 4.979 1.00 0.00 H
144
+ ATOM 143 HA GLU A 9 20.113 15.075 5.354 1.00 0.00 H
145
+ ATOM 144 HB2 GLU A 9 18.567 14.409 7.243 1.00 0.00 H
146
+ ATOM 145 HB3 GLU A 9 18.925 12.960 6.791 1.00 0.00 H
147
+ ATOM 146 HG2 GLU A 9 21.153 13.238 7.298 1.00 0.00 H
148
+ ATOM 147 HG3 GLU A 9 21.024 14.791 7.340 1.00 0.00 H
149
+ ATOM 148 N SER A 10 20.451 13.505 3.332 1.00 0.00 N
150
+ ATOM 149 CA SER A 10 20.929 12.418 2.433 1.00 0.00 C
151
+ ATOM 150 C SER A 10 21.852 11.480 3.214 1.00 0.00 C
152
+ ATOM 151 O SER A 10 22.320 11.805 4.286 1.00 0.00 O
153
+ ATOM 152 CB SER A 10 21.697 13.029 1.260 1.00 0.00 C
154
+ ATOM 153 OG SER A 10 23.064 13.176 1.615 1.00 0.00 O
155
+ ATOM 154 H SER A 10 20.558 14.303 3.030 1.00 0.00 H
156
+ ATOM 155 HA SER A 10 20.169 11.918 2.097 1.00 0.00 H
157
+ ATOM 156 HB2 SER A 10 21.615 12.462 0.477 1.00 0.00 H
158
+ ATOM 157 HB3 SER A 10 21.319 13.891 1.027 1.00 0.00 H
159
+ ATOM 158 HG SER A 10 23.287 13.982 1.542 1.00 0.00 H
160
+ ATOM 159 N ARG A 11 22.116 10.316 2.684 1.00 0.00 N
161
+ ATOM 160 CA ARG A 11 23.009 9.359 3.399 1.00 0.00 C
162
+ ATOM 161 C ARG A 11 24.138 8.903 2.468 1.00 0.00 C
163
+ ATOM 162 O ARG A 11 25.114 8.323 2.903 1.00 0.00 O
164
+ ATOM 163 CB ARG A 11 22.196 8.143 3.845 1.00 0.00 C
165
+ ATOM 164 CG ARG A 11 21.277 8.541 5.000 1.00 0.00 C
166
+ ATOM 165 CD ARG A 11 19.928 7.833 4.847 1.00 0.00 C
167
+ ATOM 166 NE ARG A 11 19.763 6.837 5.945 1.00 0.00 N
168
+ ATOM 167 CZ ARG A 11 18.875 5.885 5.839 1.00 0.00 C
169
+ ATOM 168 NH1 ARG A 11 18.130 5.798 4.770 1.00 0.00 N
170
+ ATOM 169 NH2 ARG A 11 18.733 5.017 6.802 1.00 0.00 N
171
+ ATOM 170 H ARG A 11 21.810 10.039 1.930 1.00 0.00 H
172
+ ATOM 171 HA ARG A 11 23.393 9.799 4.174 1.00 0.00 H
173
+ ATOM 172 HB2 ARG A 11 21.671 7.803 3.104 1.00 0.00 H
174
+ ATOM 173 HB3 ARG A 11 22.790 7.429 4.123 1.00 0.00 H
175
+ ATOM 174 HG2 ARG A 11 21.684 8.302 5.847 1.00 0.00 H
176
+ ATOM 175 HG3 ARG A 11 21.149 9.503 5.008 1.00 0.00 H
177
+ ATOM 176 HD2 ARG A 11 19.207 8.481 4.874 1.00 0.00 H
178
+ ATOM 177 HD3 ARG A 11 19.880 7.390 3.985 1.00 0.00 H
179
+ ATOM 178 HE ARG A 11 20.254 6.890 6.649 1.00 0.00 H
180
+ ATOM 179 HH11 ARG A 11 18.223 6.368 4.133 1.00 0.00 H
181
+ ATOM 180 HH12 ARG A 11 17.546 5.170 4.703 1.00 0.00 H
182
+ ATOM 181 HH21 ARG A 11 19.224 5.072 7.506 1.00 0.00 H
183
+ ATOM 182 HH22 ARG A 11 18.149 4.390 6.733 1.00 0.00 H
184
+ ATOM 183 N THR A 12 24.019 9.158 1.191 1.00 0.00 N
185
+ ATOM 184 CA THR A 12 25.090 8.735 0.244 1.00 0.00 C
186
+ ATOM 185 C THR A 12 25.824 9.968 -0.285 1.00 0.00 C
187
+ ATOM 186 O THR A 12 25.441 11.091 -0.022 1.00 0.00 O
188
+ ATOM 187 CB THR A 12 24.470 7.970 -0.930 1.00 0.00 C
189
+ ATOM 188 OG1 THR A 12 25.271 8.155 -2.088 1.00 0.00 O
190
+ ATOM 189 CG2 THR A 12 23.057 8.494 -1.197 1.00 0.00 C
191
+ ATOM 190 H THR A 12 23.352 9.564 0.832 1.00 0.00 H
192
+ ATOM 191 HA THR A 12 25.717 8.159 0.709 1.00 0.00 H
193
+ ATOM 192 HB THR A 12 24.426 7.026 -0.713 1.00 0.00 H
194
+ ATOM 193 HG1 THR A 12 24.941 7.724 -2.729 1.00 0.00 H
195
+ ATOM 194 HG21 THR A 12 22.667 8.008 -1.940 1.00 0.00 H
196
+ ATOM 195 HG22 THR A 12 22.510 8.368 -0.406 1.00 0.00 H
197
+ ATOM 196 HG23 THR A 12 23.098 9.439 -1.414 1.00 0.00 H
198
+ ATOM 197 N GLU A 13 26.877 9.767 -1.028 1.00 0.00 N
199
+ ATOM 198 CA GLU A 13 27.637 10.925 -1.575 1.00 0.00 C
200
+ ATOM 199 C GLU A 13 27.066 11.307 -2.942 1.00 0.00 C
201
+ ATOM 200 O GLU A 13 27.736 11.901 -3.762 1.00 0.00 O
202
+ ATOM 201 CB GLU A 13 29.109 10.537 -1.728 1.00 0.00 C
203
+ ATOM 202 CG GLU A 13 29.857 10.835 -0.427 1.00 0.00 C
204
+ ATOM 203 CD GLU A 13 31.012 9.845 -0.266 1.00 0.00 C
205
+ ATOM 204 OE1 GLU A 13 31.870 9.820 -1.133 1.00 0.00 O
206
+ ATOM 205 OE2 GLU A 13 31.018 9.128 0.722 1.00 0.00 O
207
+ ATOM 206 H GLU A 13 27.187 8.993 -1.241 1.00 0.00 H
208
+ ATOM 207 HA GLU A 13 27.561 11.680 -0.970 1.00 0.00 H
209
+ ATOM 208 HB2 GLU A 13 29.184 9.595 -1.946 1.00 0.00 H
210
+ ATOM 209 HB3 GLU A 13 29.508 11.030 -2.462 1.00 0.00 H
211
+ ATOM 210 HG2 GLU A 13 30.196 11.744 -0.438 1.00 0.00 H
212
+ ATOM 211 HG3 GLU A 13 29.252 10.767 0.328 1.00 0.00 H
213
+ ATOM 212 N THR A 14 25.830 10.969 -3.193 1.00 0.00 N
214
+ ATOM 213 CA THR A 14 25.216 11.313 -4.506 1.00 0.00 C
215
+ ATOM 214 C THR A 14 24.280 12.511 -4.335 1.00 0.00 C
216
+ ATOM 215 O THR A 14 24.262 13.418 -5.142 1.00 0.00 O
217
+ ATOM 216 CB THR A 14 24.416 10.114 -5.022 1.00 0.00 C
218
+ ATOM 217 OG1 THR A 14 25.177 8.928 -4.843 1.00 0.00 O
219
+ ATOM 218 CG2 THR A 14 24.104 10.307 -6.507 1.00 0.00 C
220
+ ATOM 219 H THR A 14 25.316 10.548 -2.647 1.00 0.00 H
221
+ ATOM 220 HA THR A 14 25.915 11.536 -5.141 1.00 0.00 H
222
+ ATOM 221 HB THR A 14 23.584 10.042 -4.528 1.00 0.00 H
223
+ ATOM 222 HG1 THR A 14 24.796 8.289 -5.233 1.00 0.00 H
224
+ ATOM 223 HG21 THR A 14 23.597 9.547 -6.833 1.00 0.00 H
225
+ ATOM 224 HG22 THR A 14 23.584 11.117 -6.626 1.00 0.00 H
226
+ ATOM 225 HG23 THR A 14 24.933 10.380 -7.005 1.00 0.00 H
227
+ ATOM 226 N ASP A 15 23.505 12.521 -3.286 1.00 0.00 N
228
+ ATOM 227 CA ASP A 15 22.569 13.660 -3.060 1.00 0.00 C
229
+ ATOM 228 C ASP A 15 23.121 14.558 -1.951 1.00 0.00 C
230
+ ATOM 229 O ASP A 15 23.718 14.092 -1.001 1.00 0.00 O
231
+ ATOM 230 CB ASP A 15 21.192 13.127 -2.638 1.00 0.00 C
232
+ ATOM 231 CG ASP A 15 21.030 11.672 -3.092 1.00 0.00 C
233
+ ATOM 232 OD1 ASP A 15 21.627 10.808 -2.470 1.00 0.00 O
234
+ ATOM 233 OD2 ASP A 15 20.312 11.448 -4.052 1.00 0.00 O
235
+ ATOM 234 H ASP A 15 23.483 11.905 -2.687 1.00 0.00 H
236
+ ATOM 235 HA ASP A 15 22.480 14.168 -3.882 1.00 0.00 H
237
+ ATOM 236 HB2 ASP A 15 21.096 13.185 -1.675 1.00 0.00 H
238
+ ATOM 237 HB3 ASP A 15 20.492 13.675 -3.027 1.00 0.00 H
239
+ ATOM 238 N LEU A 16 22.926 15.843 -2.065 1.00 0.00 N
240
+ ATOM 239 CA LEU A 16 23.438 16.772 -1.020 1.00 0.00 C
241
+ ATOM 240 C LEU A 16 22.365 16.973 0.052 1.00 0.00 C
242
+ ATOM 241 O LEU A 16 21.212 17.215 -0.248 1.00 0.00 O
243
+ ATOM 242 CB LEU A 16 23.782 18.118 -1.661 1.00 0.00 C
244
+ ATOM 243 CG LEU A 16 24.842 17.911 -2.745 1.00 0.00 C
245
+ ATOM 244 CD1 LEU A 16 24.778 19.063 -3.749 1.00 0.00 C
246
+ ATOM 245 CD2 LEU A 16 26.229 17.874 -2.100 1.00 0.00 C
247
+ ATOM 246 H LEU A 16 22.511 16.220 -2.717 1.00 0.00 H
248
+ ATOM 247 HA LEU A 16 24.234 16.396 -0.612 1.00 0.00 H
249
+ ATOM 248 HB2 LEU A 16 22.986 18.517 -2.046 1.00 0.00 H
250
+ ATOM 249 HB3 LEU A 16 24.111 18.734 -0.987 1.00 0.00 H
251
+ ATOM 250 HG LEU A 16 24.675 17.073 -3.204 1.00 0.00 H
252
+ ATOM 251 HD11 LEU A 16 25.450 18.931 -4.436 1.00 0.00 H
253
+ ATOM 252 HD12 LEU A 16 23.899 19.088 -4.158 1.00 0.00 H
254
+ ATOM 253 HD13 LEU A 16 24.945 19.902 -3.291 1.00 0.00 H
255
+ ATOM 254 HD21 LEU A 16 26.902 17.743 -2.786 1.00 0.00 H
256
+ ATOM 255 HD22 LEU A 16 26.395 18.712 -1.641 1.00 0.00 H
257
+ ATOM 256 HD23 LEU A 16 26.271 17.143 -1.463 1.00 0.00 H
258
+ ATOM 257 N SER A 17 22.734 16.876 1.299 1.00 0.00 N
259
+ ATOM 258 CA SER A 17 21.734 17.062 2.389 1.00 0.00 C
260
+ ATOM 259 C SER A 17 21.518 18.556 2.637 1.00 0.00 C
261
+ ATOM 260 O SER A 17 22.456 19.309 2.806 1.00 0.00 O
262
+ ATOM 261 CB SER A 17 22.250 16.402 3.670 1.00 0.00 C
263
+ ATOM 262 OG SER A 17 23.395 15.618 3.371 1.00 0.00 O
264
+ ATOM 263 H SER A 17 23.535 16.707 1.562 1.00 0.00 H
265
+ ATOM 264 HA SER A 17 20.893 16.654 2.129 1.00 0.00 H
266
+ ATOM 265 HB2 SER A 17 22.473 17.080 4.327 1.00 0.00 H
267
+ ATOM 266 HB3 SER A 17 21.558 15.845 4.060 1.00 0.00 H
268
+ ATOM 267 HG SER A 17 23.679 15.257 4.074 1.00 0.00 H
269
+ ATOM 268 N PHE A 18 20.287 18.993 2.661 1.00 0.00 N
270
+ ATOM 269 CA PHE A 18 20.014 20.439 2.899 1.00 0.00 C
271
+ ATOM 270 C PHE A 18 19.038 20.585 4.068 1.00 0.00 C
272
+ ATOM 271 O PHE A 18 18.242 19.709 4.337 1.00 0.00 O
273
+ ATOM 272 CB PHE A 18 19.406 21.064 1.640 1.00 0.00 C
274
+ ATOM 273 CG PHE A 18 18.159 20.283 1.225 1.00 0.00 C
275
+ ATOM 274 CD1 PHE A 18 16.929 20.592 1.774 1.00 0.00 C
276
+ ATOM 275 CD2 PHE A 18 18.242 19.269 0.288 1.00 0.00 C
277
+ ATOM 276 CE1 PHE A 18 15.799 19.899 1.393 1.00 0.00 C
278
+ ATOM 277 CE2 PHE A 18 17.112 18.576 -0.094 1.00 0.00 C
279
+ ATOM 278 CZ PHE A 18 15.890 18.891 0.459 1.00 0.00 C
280
+ ATOM 279 H PHE A 18 19.590 18.503 2.547 1.00 0.00 H
281
+ ATOM 280 HA PHE A 18 20.844 20.894 3.111 1.00 0.00 H
282
+ ATOM 281 HB2 PHE A 18 19.176 21.991 1.808 1.00 0.00 H
283
+ ATOM 282 HB3 PHE A 18 20.056 21.059 0.920 1.00 0.00 H
284
+ ATOM 283 HD1 PHE A 18 16.863 21.272 2.405 1.00 0.00 H
285
+ ATOM 284 HD2 PHE A 18 19.065 19.053 -0.087 1.00 0.00 H
286
+ ATOM 285 HE1 PHE A 18 14.975 20.113 1.767 1.00 0.00 H
287
+ ATOM 286 HE2 PHE A 18 17.175 17.896 -0.725 1.00 0.00 H
288
+ ATOM 287 HZ PHE A 18 15.128 18.424 0.202 1.00 0.00 H
289
+ ATOM 288 N LYS A 19 19.093 21.687 4.766 1.00 0.00 N
290
+ ATOM 289 CA LYS A 19 18.167 21.887 5.917 1.00 0.00 C
291
+ ATOM 290 C LYS A 19 17.019 22.809 5.498 1.00 0.00 C
292
+ ATOM 291 O LYS A 19 16.981 23.304 4.389 1.00 0.00 O
293
+ ATOM 292 CB LYS A 19 18.933 22.518 7.083 1.00 0.00 C
294
+ ATOM 293 CG LYS A 19 20.204 21.709 7.357 1.00 0.00 C
295
+ ATOM 294 CD LYS A 19 21.051 22.429 8.409 1.00 0.00 C
296
+ ATOM 295 CE LYS A 19 21.328 21.481 9.577 1.00 0.00 C
297
+ ATOM 296 NZ LYS A 19 22.671 21.776 10.150 1.00 0.00 N
298
+ ATOM 297 H LYS A 19 19.637 22.336 4.617 1.00 0.00 H
299
+ ATOM 298 HA LYS A 19 17.805 21.030 6.194 1.00 0.00 H
300
+ ATOM 299 HB2 LYS A 19 19.162 23.437 6.873 1.00 0.00 H
301
+ ATOM 300 HB3 LYS A 19 18.374 22.539 7.876 1.00 0.00 H
302
+ ATOM 301 HG2 LYS A 19 19.972 20.820 7.668 1.00 0.00 H
303
+ ATOM 302 HG3 LYS A 19 20.712 21.600 6.538 1.00 0.00 H
304
+ ATOM 303 HD2 LYS A 19 21.887 22.727 8.017 1.00 0.00 H
305
+ ATOM 304 HD3 LYS A 19 20.588 23.220 8.725 1.00 0.00 H
306
+ ATOM 305 HE2 LYS A 19 20.645 21.584 10.258 1.00 0.00 H
307
+ ATOM 306 HE3 LYS A 19 21.290 20.560 9.275 1.00 0.00 H
308
+ ATOM 307 HZ1 LYS A 19 22.919 21.109 10.685 1.00 0.00 H
309
+ ATOM 308 HZ2 LYS A 19 23.263 21.863 9.491 1.00 0.00 H
310
+ ATOM 309 HZ3 LYS A 19 22.635 22.533 10.617 1.00 0.00 H
311
+ ATOM 310 N LYS A 20 16.082 23.042 6.377 1.00 0.00 N
312
+ ATOM 311 CA LYS A 20 14.937 23.931 6.030 1.00 0.00 C
313
+ ATOM 312 C LYS A 20 15.419 25.382 5.960 1.00 0.00 C
314
+ ATOM 313 O LYS A 20 16.210 25.823 6.770 1.00 0.00 O
315
+ ATOM 314 CB LYS A 20 13.851 23.803 7.101 1.00 0.00 C
316
+ ATOM 315 CG LYS A 20 12.715 24.783 6.799 1.00 0.00 C
317
+ ATOM 316 CD LYS A 20 11.552 24.526 7.761 1.00 0.00 C
318
+ ATOM 317 CE LYS A 20 10.914 25.859 8.159 1.00 0.00 C
319
+ ATOM 318 NZ LYS A 20 9.800 25.609 9.116 1.00 0.00 N
320
+ ATOM 319 H LYS A 20 16.064 22.716 7.172 1.00 0.00 H
321
+ ATOM 320 HA LYS A 20 14.574 23.671 5.169 1.00 0.00 H
322
+ ATOM 321 HB2 LYS A 20 13.510 22.895 7.122 1.00 0.00 H
323
+ ATOM 322 HB3 LYS A 20 14.225 23.986 7.977 1.00 0.00 H
324
+ ATOM 323 HG2 LYS A 20 13.029 25.696 6.892 1.00 0.00 H
325
+ ATOM 324 HG3 LYS A 20 12.418 24.677 5.882 1.00 0.00 H
326
+ ATOM 325 HD2 LYS A 20 10.892 23.953 7.340 1.00 0.00 H
327
+ ATOM 326 HD3 LYS A 20 11.869 24.060 8.550 1.00 0.00 H
328
+ ATOM 327 HE2 LYS A 20 11.578 26.438 8.564 1.00 0.00 H
329
+ ATOM 328 HE3 LYS A 20 10.581 26.317 7.372 1.00 0.00 H
330
+ ATOM 329 HZ1 LYS A 20 9.726 26.299 9.673 1.00 0.00 H
331
+ ATOM 330 HZ2 LYS A 20 9.039 25.508 8.666 1.00 0.00 H
332
+ ATOM 331 HZ3 LYS A 20 9.969 24.870 9.582 1.00 0.00 H
333
+ ATOM 332 N GLY A 21 14.949 26.127 4.997 1.00 0.00 N
334
+ ATOM 333 CA GLY A 21 15.379 27.548 4.876 1.00 0.00 C
335
+ ATOM 334 C GLY A 21 16.385 27.683 3.731 1.00 0.00 C
336
+ ATOM 335 O GLY A 21 16.498 28.722 3.111 1.00 0.00 O
337
+ ATOM 336 H GLY A 21 14.390 25.862 4.400 1.00 0.00 H
338
+ ATOM 337 HA2 GLY A 21 14.610 28.116 4.712 1.00 0.00 H
339
+ ATOM 338 HA3 GLY A 21 15.779 27.846 5.708 1.00 0.00 H
340
+ ATOM 339 N GLU A 22 17.118 26.642 3.445 1.00 0.00 N
341
+ ATOM 340 CA GLU A 22 18.114 26.716 2.340 1.00 0.00 C
342
+ ATOM 341 C GLU A 22 17.389 26.631 0.995 1.00 0.00 C
343
+ ATOM 342 O GLU A 22 16.433 25.898 0.839 1.00 0.00 O
344
+ ATOM 343 CB GLU A 22 19.100 25.552 2.462 1.00 0.00 C
345
+ ATOM 344 CG GLU A 22 20.117 25.622 1.321 1.00 0.00 C
346
+ ATOM 345 CD GLU A 22 21.477 25.130 1.820 1.00 0.00 C
347
+ ATOM 346 OE1 GLU A 22 21.501 24.424 2.815 1.00 0.00 O
348
+ ATOM 347 OE2 GLU A 22 22.472 25.469 1.200 1.00 0.00 O
349
+ ATOM 348 H GLU A 22 17.078 25.886 3.852 1.00 0.00 H
350
+ ATOM 349 HA GLU A 22 18.597 27.555 2.396 1.00 0.00 H
351
+ ATOM 350 HB2 GLU A 22 19.556 25.590 3.317 1.00 0.00 H
352
+ ATOM 351 HB3 GLU A 22 18.624 24.708 2.432 1.00 0.00 H
353
+ ATOM 352 HG2 GLU A 22 19.819 25.078 0.575 1.00 0.00 H
354
+ ATOM 353 HG3 GLU A 22 20.191 26.533 0.996 1.00 0.00 H
355
+ ATOM 354 N ARG A 23 17.836 27.377 0.022 1.00 0.00 N
356
+ ATOM 355 CA ARG A 23 17.172 27.338 -1.311 1.00 0.00 C
357
+ ATOM 356 C ARG A 23 18.006 26.486 -2.269 1.00 0.00 C
358
+ ATOM 357 O ARG A 23 19.197 26.323 -2.094 1.00 0.00 O
359
+ ATOM 358 CB ARG A 23 17.056 28.759 -1.865 1.00 0.00 C
360
+ ATOM 359 CG ARG A 23 16.187 29.602 -0.930 1.00 0.00 C
361
+ ATOM 360 CD ARG A 23 17.026 30.737 -0.340 1.00 0.00 C
362
+ ATOM 361 NE ARG A 23 16.233 31.998 -0.347 1.00 0.00 N
363
+ ATOM 362 CZ ARG A 23 16.832 33.151 -0.216 1.00 0.00 C
364
+ ATOM 363 NH1 ARG A 23 18.130 33.204 -0.081 1.00 0.00 N
365
+ ATOM 364 NH2 ARG A 23 16.133 34.252 -0.221 1.00 0.00 N
366
+ ATOM 365 H ARG A 23 18.507 27.912 0.082 1.00 0.00 H
367
+ ATOM 366 HA ARG A 23 16.286 26.953 -1.220 1.00 0.00 H
368
+ ATOM 367 HB2 ARG A 23 17.937 29.156 -1.949 1.00 0.00 H
369
+ ATOM 368 HB3 ARG A 23 16.667 28.739 -2.753 1.00 0.00 H
370
+ ATOM 369 HG2 ARG A 23 15.430 29.965 -1.416 1.00 0.00 H
371
+ ATOM 370 HG3 ARG A 23 15.828 29.048 -0.219 1.00 0.00 H
372
+ ATOM 371 HD2 ARG A 23 17.293 30.517 0.566 1.00 0.00 H
373
+ ATOM 372 HD3 ARG A 23 17.839 30.852 -0.856 1.00 0.00 H
374
+ ATOM 373 HE ARG A 23 15.378 31.967 -0.438 1.00 0.00 H
375
+ ATOM 374 HH11 ARG A 23 18.592 32.479 -0.078 1.00 0.00 H
376
+ ATOM 375 HH12 ARG A 23 18.523 33.964 0.005 1.00 0.00 H
377
+ ATOM 376 HH21 ARG A 23 15.278 34.218 -0.310 1.00 0.00 H
378
+ ATOM 377 HH22 ARG A 23 16.527 35.012 -0.135 1.00 0.00 H
379
+ ATOM 378 N LEU A 24 17.391 25.939 -3.282 1.00 0.00 N
380
+ ATOM 379 CA LEU A 24 18.152 25.098 -4.248 1.00 0.00 C
381
+ ATOM 380 C LEU A 24 17.628 25.340 -5.665 1.00 0.00 C
382
+ ATOM 381 O LEU A 24 16.453 25.574 -5.870 1.00 0.00 O
383
+ ATOM 382 CB LEU A 24 17.976 23.622 -3.888 1.00 0.00 C
384
+ ATOM 383 CG LEU A 24 18.582 23.352 -2.510 1.00 0.00 C
385
+ ATOM 384 CD1 LEU A 24 17.461 23.199 -1.481 1.00 0.00 C
386
+ ATOM 385 CD2 LEU A 24 19.407 22.064 -2.562 1.00 0.00 C
387
+ ATOM 386 H LEU A 24 16.552 26.023 -3.451 1.00 0.00 H
388
+ ATOM 387 HA LEU A 24 19.092 25.333 -4.207 1.00 0.00 H
389
+ ATOM 388 HB2 LEU A 24 17.034 23.390 -3.888 1.00 0.00 H
390
+ ATOM 389 HB3 LEU A 24 18.406 23.064 -4.555 1.00 0.00 H
391
+ ATOM 390 HG LEU A 24 19.154 24.093 -2.256 1.00 0.00 H
392
+ ATOM 391 HD11 LEU A 24 17.845 23.028 -0.607 1.00 0.00 H
393
+ ATOM 392 HD12 LEU A 24 16.937 24.015 -1.449 1.00 0.00 H
394
+ ATOM 393 HD13 LEU A 24 16.889 22.457 -1.733 1.00 0.00 H
395
+ ATOM 394 HD21 LEU A 24 19.792 21.891 -1.689 1.00 0.00 H
396
+ ATOM 395 HD22 LEU A 24 18.835 21.323 -2.815 1.00 0.00 H
397
+ ATOM 396 HD23 LEU A 24 20.118 22.161 -3.215 1.00 0.00 H
398
+ ATOM 397 N GLN A 25 18.489 25.286 -6.644 1.00 0.00 N
399
+ ATOM 398 CA GLN A 25 18.036 25.514 -8.045 1.00 0.00 C
400
+ ATOM 399 C GLN A 25 17.537 24.195 -8.636 1.00 0.00 C
401
+ ATOM 400 O GLN A 25 18.310 23.320 -8.973 1.00 0.00 O
402
+ ATOM 401 CB GLN A 25 19.201 26.044 -8.881 1.00 0.00 C
403
+ ATOM 402 CG GLN A 25 18.675 27.068 -9.889 1.00 0.00 C
404
+ ATOM 403 CD GLN A 25 19.852 27.787 -10.551 1.00 0.00 C
405
+ ATOM 404 OE1 GLN A 25 20.994 27.430 -10.340 1.00 0.00 O
406
+ ATOM 405 NE2 GLN A 25 19.620 28.793 -11.349 1.00 0.00 N
407
+ ATOM 406 H GLN A 25 19.329 25.124 -6.552 1.00 0.00 H
408
+ ATOM 407 HA GLN A 25 17.317 26.165 -8.052 1.00 0.00 H
409
+ ATOM 408 HB2 GLN A 25 19.866 26.453 -8.305 1.00 0.00 H
410
+ ATOM 409 HB3 GLN A 25 19.639 25.313 -9.345 1.00 0.00 H
411
+ ATOM 410 HG2 GLN A 25 18.135 26.625 -10.562 1.00 0.00 H
412
+ ATOM 411 HG3 GLN A 25 18.102 27.710 -9.442 1.00 0.00 H
413
+ ATOM 412 HE21 GLN A 25 18.812 29.046 -11.498 1.00 0.00 H
414
+ ATOM 413 HE22 GLN A 25 20.275 29.203 -11.726 1.00 0.00 H
415
+ ATOM 414 N ILE A 26 16.250 24.046 -8.766 1.00 0.00 N
416
+ ATOM 415 CA ILE A 26 15.698 22.786 -9.335 1.00 0.00 C
417
+ ATOM 416 C ILE A 26 16.175 22.614 -10.779 1.00 0.00 C
418
+ ATOM 417 O ILE A 26 16.145 23.537 -11.569 1.00 0.00 O
419
+ ATOM 418 CB ILE A 26 14.172 22.848 -9.300 1.00 0.00 C
420
+ ATOM 419 CG1 ILE A 26 13.694 22.856 -7.847 1.00 0.00 C
421
+ ATOM 420 CG2 ILE A 26 13.589 21.628 -10.017 1.00 0.00 C
422
+ ATOM 421 CD1 ILE A 26 14.421 21.765 -7.058 1.00 0.00 C
423
+ ATOM 422 H ILE A 26 15.663 24.634 -8.544 1.00 0.00 H
424
+ ATOM 423 HA ILE A 26 16.006 22.031 -8.810 1.00 0.00 H
425
+ ATOM 424 HB ILE A 26 13.875 23.657 -9.746 1.00 0.00 H
426
+ ATOM 425 HG12 ILE A 26 13.863 23.723 -7.447 1.00 0.00 H
427
+ ATOM 426 HG13 ILE A 26 12.736 22.709 -7.812 1.00 0.00 H
428
+ ATOM 427 HG21 ILE A 26 12.620 21.671 -9.993 1.00 0.00 H
429
+ ATOM 428 HG22 ILE A 26 13.889 21.621 -10.939 1.00 0.00 H
430
+ ATOM 429 HG23 ILE A 26 13.888 20.819 -9.574 1.00 0.00 H
431
+ ATOM 430 HD11 ILE A 26 14.115 21.773 -6.137 1.00 0.00 H
432
+ ATOM 431 HD12 ILE A 26 14.233 20.899 -7.453 1.00 0.00 H
433
+ ATOM 432 HD13 ILE A 26 15.377 21.930 -7.083 1.00 0.00 H
434
+ ATOM 433 N VAL A 27 16.617 21.436 -11.126 1.00 0.00 N
435
+ ATOM 434 CA VAL A 27 17.096 21.195 -12.517 1.00 0.00 C
436
+ ATOM 435 C VAL A 27 15.992 20.502 -13.319 1.00 0.00 C
437
+ ATOM 436 O VAL A 27 15.244 21.133 -14.039 1.00 0.00 O
438
+ ATOM 437 CB VAL A 27 18.340 20.300 -12.483 1.00 0.00 C
439
+ ATOM 438 CG1 VAL A 27 18.793 20.008 -13.914 1.00 0.00 C
440
+ ATOM 439 CG2 VAL A 27 19.466 21.013 -11.727 1.00 0.00 C
441
+ ATOM 440 H VAL A 27 16.659 20.755 -10.602 1.00 0.00 H
442
+ ATOM 441 HA VAL A 27 17.320 22.042 -12.934 1.00 0.00 H
443
+ ATOM 442 HB VAL A 27 18.127 19.468 -12.032 1.00 0.00 H
444
+ ATOM 443 HG11 VAL A 27 19.580 19.442 -13.895 1.00 0.00 H
445
+ ATOM 444 HG12 VAL A 27 18.081 19.556 -14.393 1.00 0.00 H
446
+ ATOM 445 HG13 VAL A 27 19.005 20.841 -14.363 1.00 0.00 H
447
+ ATOM 446 HG21 VAL A 27 20.252 20.445 -11.706 1.00 0.00 H
448
+ ATOM 447 HG22 VAL A 27 19.681 21.846 -12.176 1.00 0.00 H
449
+ ATOM 448 HG23 VAL A 27 19.179 21.200 -10.820 1.00 0.00 H
450
+ ATOM 449 N ASN A 28 15.886 19.208 -13.198 1.00 0.00 N
451
+ ATOM 450 CA ASN A 28 14.834 18.470 -13.949 1.00 0.00 C
452
+ ATOM 451 C ASN A 28 13.815 17.907 -12.956 1.00 0.00 C
453
+ ATOM 452 O ASN A 28 14.168 17.234 -12.007 1.00 0.00 O
454
+ ATOM 453 CB ASN A 28 15.476 17.323 -14.731 1.00 0.00 C
455
+ ATOM 454 CG ASN A 28 14.976 17.353 -16.177 1.00 0.00 C
456
+ ATOM 455 OD1 ASN A 28 14.721 18.409 -16.721 1.00 0.00 O
457
+ ATOM 456 ND2 ASN A 28 14.822 16.232 -16.826 1.00 0.00 N
458
+ ATOM 457 H ASN A 28 16.391 18.720 -12.702 1.00 0.00 H
459
+ ATOM 458 HA ASN A 28 14.390 19.070 -14.568 1.00 0.00 H
460
+ ATOM 459 HB2 ASN A 28 16.442 17.405 -14.710 1.00 0.00 H
461
+ ATOM 460 HB3 ASN A 28 15.255 16.473 -14.319 1.00 0.00 H
462
+ ATOM 461 HD21 ASN A 28 14.540 16.241 -17.638 1.00 0.00 H
463
+ ATOM 462 HD22 ASN A 28 15.002 15.484 -16.441 1.00 0.00 H
464
+ ATOM 463 N ASN A 29 12.555 18.171 -13.164 1.00 0.00 N
465
+ ATOM 464 CA ASN A 29 11.527 17.646 -12.224 1.00 0.00 C
466
+ ATOM 465 C ASN A 29 10.145 17.727 -12.869 1.00 0.00 C
467
+ ATOM 466 O ASN A 29 9.535 18.778 -12.929 1.00 0.00 O
468
+ ATOM 467 CB ASN A 29 11.533 18.478 -10.942 1.00 0.00 C
469
+ ATOM 468 CG ASN A 29 11.226 19.938 -11.279 1.00 0.00 C
470
+ ATOM 469 OD1 ASN A 29 10.224 20.475 -10.849 1.00 0.00 O
471
+ ATOM 470 ND2 ASN A 29 12.053 20.609 -12.032 1.00 0.00 N
472
+ ATOM 471 H ASN A 29 12.251 18.638 -13.819 1.00 0.00 H
473
+ ATOM 472 HA ASN A 29 11.732 16.721 -12.015 1.00 0.00 H
474
+ ATOM 473 HB2 ASN A 29 10.874 18.134 -10.319 1.00 0.00 H
475
+ ATOM 474 HB3 ASN A 29 12.397 18.412 -10.506 1.00 0.00 H
476
+ ATOM 475 HD21 ASN A 29 11.889 21.431 -12.224 1.00 0.00 H
477
+ ATOM 476 HD22 ASN A 29 12.762 20.229 -12.336 1.00 0.00 H
478
+ ATOM 477 N THR A 30 9.647 16.624 -13.352 1.00 0.00 N
479
+ ATOM 478 CA THR A 30 8.302 16.636 -13.995 1.00 0.00 C
480
+ ATOM 479 C THR A 30 7.610 15.277 -13.817 1.00 0.00 C
481
+ ATOM 480 O THR A 30 6.552 15.040 -14.365 1.00 0.00 O
482
+ ATOM 481 CB THR A 30 8.461 16.937 -15.487 1.00 0.00 C
483
+ ATOM 482 OG1 THR A 30 7.206 16.783 -16.136 1.00 0.00 O
484
+ ATOM 483 CG2 THR A 30 9.479 15.972 -16.096 1.00 0.00 C
485
+ ATOM 484 H THR A 30 10.038 15.858 -13.334 1.00 0.00 H
486
+ ATOM 485 HA THR A 30 7.757 17.320 -13.575 1.00 0.00 H
487
+ ATOM 486 HB THR A 30 8.774 17.848 -15.604 1.00 0.00 H
488
+ ATOM 487 HG1 THR A 30 6.683 16.356 -15.637 1.00 0.00 H
489
+ ATOM 488 HG21 THR A 30 9.580 16.162 -17.042 1.00 0.00 H
490
+ ATOM 489 HG22 THR A 30 10.334 16.081 -15.651 1.00 0.00 H
491
+ ATOM 490 HG23 THR A 30 9.169 15.060 -15.982 1.00 0.00 H
492
+ ATOM 491 N GLU A 31 8.183 14.383 -13.055 1.00 0.00 N
493
+ ATOM 492 CA GLU A 31 7.538 13.059 -12.863 1.00 0.00 C
494
+ ATOM 493 C GLU A 31 8.214 12.323 -11.705 1.00 0.00 C
495
+ ATOM 494 O GLU A 31 7.673 12.219 -10.622 1.00 0.00 O
496
+ ATOM 495 CB GLU A 31 7.694 12.238 -14.140 1.00 0.00 C
497
+ ATOM 496 CG GLU A 31 6.317 11.971 -14.752 1.00 0.00 C
498
+ ATOM 497 CD GLU A 31 6.412 10.797 -15.728 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 31 6.800 11.024 -16.863 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 31 6.094 9.691 -15.325 1.00 0.00 O
501
+ ATOM 500 H GLU A 31 8.927 14.494 -12.638 1.00 0.00 H
502
+ ATOM 501 HA GLU A 31 6.597 13.182 -12.662 1.00 0.00 H
503
+ ATOM 502 HB2 GLU A 31 8.253 12.713 -14.774 1.00 0.00 H
504
+ ATOM 503 HB3 GLU A 31 8.139 11.399 -13.943 1.00 0.00 H
505
+ ATOM 504 HG2 GLU A 31 5.675 11.772 -14.053 1.00 0.00 H
506
+ ATOM 505 HG3 GLU A 31 5.998 12.763 -15.213 1.00 0.00 H
507
+ ATOM 506 N GLY A 32 9.393 11.809 -11.936 1.00 0.00 N
508
+ ATOM 507 CA GLY A 32 10.130 11.072 -10.867 1.00 0.00 C
509
+ ATOM 508 C GLY A 32 9.915 11.751 -9.513 1.00 0.00 C
510
+ ATOM 509 O GLY A 32 9.731 12.950 -9.429 1.00 0.00 O
511
+ ATOM 510 H GLY A 32 9.805 11.860 -12.689 1.00 0.00 H
512
+ ATOM 511 HA2 GLY A 32 9.823 10.153 -10.828 1.00 0.00 H
513
+ ATOM 512 HA3 GLY A 32 11.077 11.046 -11.077 1.00 0.00 H
514
+ ATOM 513 N ASP A 33 9.940 10.991 -8.453 1.00 0.00 N
515
+ ATOM 514 CA ASP A 33 9.737 11.581 -7.099 1.00 0.00 C
516
+ ATOM 515 C ASP A 33 11.055 12.154 -6.579 1.00 0.00 C
517
+ ATOM 516 O ASP A 33 11.118 12.716 -5.503 1.00 0.00 O
518
+ ATOM 517 CB ASP A 33 9.246 10.493 -6.144 1.00 0.00 C
519
+ ATOM 518 CG ASP A 33 7.740 10.300 -6.325 1.00 0.00 C
520
+ ATOM 519 OD1 ASP A 33 7.276 10.434 -7.446 1.00 0.00 O
521
+ ATOM 520 OD2 ASP A 33 7.076 10.021 -5.341 1.00 0.00 O
522
+ ATOM 521 H ASP A 33 10.069 10.141 -8.464 1.00 0.00 H
523
+ ATOM 522 HA ASP A 33 9.080 12.292 -7.154 1.00 0.00 H
524
+ ATOM 523 HB2 ASP A 33 9.712 9.661 -6.319 1.00 0.00 H
525
+ ATOM 524 HB3 ASP A 33 9.443 10.741 -5.227 1.00 0.00 H
526
+ ATOM 525 N TRP A 34 12.110 12.011 -7.328 1.00 0.00 N
527
+ ATOM 526 CA TRP A 34 13.420 12.549 -6.875 1.00 0.00 C
528
+ ATOM 527 C TRP A 34 13.951 13.515 -7.932 1.00 0.00 C
529
+ ATOM 528 O TRP A 34 14.283 13.127 -9.035 1.00 0.00 O
530
+ ATOM 529 CB TRP A 34 14.405 11.396 -6.677 1.00 0.00 C
531
+ ATOM 530 CG TRP A 34 14.192 10.780 -5.292 1.00 0.00 C
532
+ ATOM 531 CD1 TRP A 34 13.398 9.726 -5.031 1.00 0.00 C
533
+ ATOM 532 CD2 TRP A 34 14.762 11.208 -4.165 1.00 0.00 C
534
+ ATOM 533 NE1 TRP A 34 13.525 9.554 -3.714 1.00 0.00 N
535
+ ATOM 534 CE2 TRP A 34 14.354 10.433 -3.096 1.00 0.00 C
536
+ ATOM 535 CE3 TRP A 34 15.640 12.255 -3.959 1.00 0.00 C
537
+ ATOM 536 CZ2 TRP A 34 14.822 10.703 -1.826 1.00 0.00 C
538
+ ATOM 537 CZ3 TRP A 34 16.107 12.524 -2.687 1.00 0.00 C
539
+ ATOM 538 CH2 TRP A 34 15.698 11.748 -1.621 1.00 0.00 C
540
+ ATOM 539 H TRP A 34 12.120 11.618 -8.093 1.00 0.00 H
541
+ ATOM 540 HA TRP A 34 13.312 13.018 -6.033 1.00 0.00 H
542
+ ATOM 541 HB2 TRP A 34 14.275 10.724 -7.365 1.00 0.00 H
543
+ ATOM 542 HB3 TRP A 34 15.316 11.717 -6.763 1.00 0.00 H
544
+ ATOM 543 HD1 TRP A 34 12.882 9.233 -5.628 1.00 0.00 H
545
+ ATOM 544 HE1 TRP A 34 13.112 8.932 -3.288 1.00 0.00 H
546
+ ATOM 545 HE3 TRP A 34 15.916 12.778 -4.676 1.00 0.00 H
547
+ ATOM 546 HZ2 TRP A 34 14.546 10.180 -1.108 1.00 0.00 H
548
+ ATOM 547 HZ3 TRP A 34 16.698 13.229 -2.549 1.00 0.00 H
549
+ ATOM 548 HH2 TRP A 34 16.013 11.930 -0.765 1.00 0.00 H
550
+ ATOM 549 N TRP A 35 14.029 14.773 -7.606 1.00 0.00 N
551
+ ATOM 550 CA TRP A 35 14.535 15.767 -8.589 1.00 0.00 C
552
+ ATOM 551 C TRP A 35 16.019 16.032 -8.338 1.00 0.00 C
553
+ ATOM 552 O TRP A 35 16.588 15.574 -7.367 1.00 0.00 O
554
+ ATOM 553 CB TRP A 35 13.748 17.069 -8.437 1.00 0.00 C
555
+ ATOM 554 CG TRP A 35 12.254 16.779 -8.604 1.00 0.00 C
556
+ ATOM 555 CD1 TRP A 35 11.738 15.785 -9.347 1.00 0.00 C
557
+ ATOM 556 CD2 TRP A 35 11.274 17.470 -8.028 1.00 0.00 C
558
+ ATOM 557 NE1 TRP A 35 10.420 15.922 -9.184 1.00 0.00 N
559
+ ATOM 558 CE2 TRP A 35 10.043 16.947 -8.376 1.00 0.00 C
560
+ ATOM 559 CE3 TRP A 35 11.349 18.560 -7.185 1.00 0.00 C
561
+ ATOM 560 CZ2 TRP A 35 8.888 17.516 -7.878 1.00 0.00 C
562
+ ATOM 561 CZ3 TRP A 35 10.193 19.127 -6.687 1.00 0.00 C
563
+ ATOM 562 CH2 TRP A 35 8.963 18.605 -7.034 1.00 0.00 C
564
+ ATOM 563 H TRP A 35 13.805 15.096 -6.841 1.00 0.00 H
565
+ ATOM 564 HA TRP A 35 14.422 15.421 -9.488 1.00 0.00 H
566
+ ATOM 565 HB2 TRP A 35 13.917 17.461 -7.566 1.00 0.00 H
567
+ ATOM 566 HB3 TRP A 35 14.039 17.714 -9.100 1.00 0.00 H
568
+ ATOM 567 HD1 TRP A 35 12.192 15.152 -9.855 1.00 0.00 H
569
+ ATOM 568 HE1 TRP A 35 9.851 15.400 -9.563 1.00 0.00 H
570
+ ATOM 569 HE3 TRP A 35 12.178 18.912 -6.953 1.00 0.00 H
571
+ ATOM 570 HZ2 TRP A 35 8.059 17.165 -8.111 1.00 0.00 H
572
+ ATOM 571 HZ3 TRP A 35 10.243 19.861 -6.118 1.00 0.00 H
573
+ ATOM 572 HH2 TRP A 35 8.184 18.988 -6.699 1.00 0.00 H
574
+ ATOM 573 N LEU A 36 16.649 16.769 -9.209 1.00 0.00 N
575
+ ATOM 574 CA LEU A 36 18.093 17.067 -9.028 1.00 0.00 C
576
+ ATOM 575 C LEU A 36 18.279 18.580 -8.975 1.00 0.00 C
577
+ ATOM 576 O LEU A 36 18.055 19.275 -9.941 1.00 0.00 O
578
+ ATOM 577 CB LEU A 36 18.876 16.484 -10.203 1.00 0.00 C
579
+ ATOM 578 CG LEU A 36 20.353 16.855 -10.072 1.00 0.00 C
580
+ ATOM 579 CD1 LEU A 36 21.121 15.676 -9.478 1.00 0.00 C
581
+ ATOM 580 CD2 LEU A 36 20.917 17.181 -11.454 1.00 0.00 C
582
+ ATOM 581 H LEU A 36 16.290 17.114 -9.910 1.00 0.00 H
583
+ ATOM 582 HA LEU A 36 18.418 16.673 -8.204 1.00 0.00 H
584
+ ATOM 583 HB2 LEU A 36 18.776 15.519 -10.223 1.00 0.00 H
585
+ ATOM 584 HB3 LEU A 36 18.521 16.823 -11.040 1.00 0.00 H
586
+ ATOM 585 HG LEU A 36 20.444 17.627 -9.492 1.00 0.00 H
587
+ ATOM 586 HD11 LEU A 36 22.059 15.910 -9.394 1.00 0.00 H
588
+ ATOM 587 HD12 LEU A 36 20.762 15.464 -8.602 1.00 0.00 H
589
+ ATOM 588 HD13 LEU A 36 21.031 14.905 -10.060 1.00 0.00 H
590
+ ATOM 589 HD21 LEU A 36 21.854 17.417 -11.374 1.00 0.00 H
591
+ ATOM 590 HD22 LEU A 36 20.827 16.407 -12.031 1.00 0.00 H
592
+ ATOM 591 HD23 LEU A 36 20.428 17.927 -11.836 1.00 0.00 H
593
+ ATOM 592 N ALA A 37 18.688 19.101 -7.854 1.00 0.00 N
594
+ ATOM 593 CA ALA A 37 18.881 20.572 -7.756 1.00 0.00 C
595
+ ATOM 594 C ALA A 37 20.372 20.909 -7.711 1.00 0.00 C
596
+ ATOM 595 O ALA A 37 21.221 20.041 -7.633 1.00 0.00 O
597
+ ATOM 596 CB ALA A 37 18.202 21.090 -6.489 1.00 0.00 C
598
+ ATOM 597 H ALA A 37 18.863 18.657 -7.138 1.00 0.00 H
599
+ ATOM 598 HA ALA A 37 18.487 20.995 -8.535 1.00 0.00 H
600
+ ATOM 599 HB1 ALA A 37 18.327 22.050 -6.424 1.00 0.00 H
601
+ ATOM 600 HB2 ALA A 37 17.254 20.890 -6.525 1.00 0.00 H
602
+ ATOM 601 HB3 ALA A 37 18.594 20.660 -5.713 1.00 0.00 H
603
+ ATOM 602 N HIS A 38 20.686 22.175 -7.756 1.00 0.00 N
604
+ ATOM 603 CA HIS A 38 22.109 22.606 -7.719 1.00 0.00 C
605
+ ATOM 604 C HIS A 38 22.251 23.761 -6.722 1.00 0.00 C
606
+ ATOM 605 O HIS A 38 21.680 24.819 -6.898 1.00 0.00 O
607
+ ATOM 606 CB HIS A 38 22.522 23.062 -9.127 1.00 0.00 C
608
+ ATOM 607 CG HIS A 38 23.693 24.047 -9.048 1.00 0.00 C
609
+ ATOM 608 ND1 HIS A 38 24.917 23.723 -9.000 1.00 0.00 N
610
+ ATOM 609 CD2 HIS A 38 23.687 25.429 -9.014 1.00 0.00 C
611
+ ATOM 610 CE1 HIS A 38 25.656 24.766 -8.940 1.00 0.00 C
612
+ ATOM 611 NE2 HIS A 38 24.948 25.884 -8.945 1.00 0.00 N
613
+ ATOM 612 H HIS A 38 20.115 22.816 -7.808 1.00 0.00 H
614
+ ATOM 613 HA HIS A 38 22.681 21.874 -7.440 1.00 0.00 H
615
+ ATOM 614 HB2 HIS A 38 22.774 22.293 -9.661 1.00 0.00 H
616
+ ATOM 615 HB3 HIS A 38 21.769 23.481 -9.571 1.00 0.00 H
617
+ ATOM 616 HD1 HIS A 38 25.210 22.915 -9.007 1.00 0.00 H
618
+ ATOM 617 HD2 HIS A 38 22.925 25.962 -9.036 1.00 0.00 H
619
+ ATOM 618 HE1 HIS A 38 26.585 24.741 -8.898 1.00 0.00 H
620
+ ATOM 619 HE2 HIS A 38 25.226 26.697 -8.912 1.00 0.00 H
621
+ ATOM 620 N SER A 39 23.007 23.566 -5.677 1.00 0.00 N
622
+ ATOM 621 CA SER A 39 23.183 24.654 -4.674 1.00 0.00 C
623
+ ATOM 622 C SER A 39 23.799 25.877 -5.355 1.00 0.00 C
624
+ ATOM 623 O SER A 39 24.407 25.776 -6.402 1.00 0.00 O
625
+ ATOM 624 CB SER A 39 24.110 24.172 -3.557 1.00 0.00 C
626
+ ATOM 625 OG SER A 39 23.422 23.234 -2.742 1.00 0.00 O
627
+ ATOM 626 H SER A 39 23.431 22.837 -5.506 1.00 0.00 H
628
+ ATOM 627 HA SER A 39 22.321 24.892 -4.298 1.00 0.00 H
629
+ ATOM 628 HB2 SER A 39 24.904 23.764 -3.936 1.00 0.00 H
630
+ ATOM 629 HB3 SER A 39 24.406 24.925 -3.021 1.00 0.00 H
631
+ ATOM 630 HG SER A 39 23.931 22.968 -2.129 1.00 0.00 H
632
+ ATOM 631 N LEU A 40 23.648 27.033 -4.769 1.00 0.00 N
633
+ ATOM 632 CA LEU A 40 24.226 28.261 -5.385 1.00 0.00 C
634
+ ATOM 633 C LEU A 40 25.391 28.760 -4.527 1.00 0.00 C
635
+ ATOM 634 O LEU A 40 26.114 29.659 -4.909 1.00 0.00 O
636
+ ATOM 635 CB LEU A 40 23.151 29.346 -5.467 1.00 0.00 C
637
+ ATOM 636 CG LEU A 40 21.922 28.791 -6.190 1.00 0.00 C
638
+ ATOM 637 CD1 LEU A 40 20.803 29.834 -6.166 1.00 0.00 C
639
+ ATOM 638 CD2 LEU A 40 22.289 28.467 -7.641 1.00 0.00 C
640
+ ATOM 639 H LEU A 40 23.228 27.157 -4.029 1.00 0.00 H
641
+ ATOM 640 HA LEU A 40 24.546 28.056 -6.278 1.00 0.00 H
642
+ ATOM 641 HB2 LEU A 40 22.908 29.642 -4.576 1.00 0.00 H
643
+ ATOM 642 HB3 LEU A 40 23.494 30.120 -5.940 1.00 0.00 H
644
+ ATOM 643 HG LEU A 40 21.620 27.984 -5.745 1.00 0.00 H
645
+ ATOM 644 HD11 LEU A 40 20.023 29.483 -6.624 1.00 0.00 H
646
+ ATOM 645 HD12 LEU A 40 20.572 30.040 -5.247 1.00 0.00 H
647
+ ATOM 646 HD13 LEU A 40 21.103 30.641 -6.612 1.00 0.00 H
648
+ ATOM 647 HD21 LEU A 40 21.511 28.115 -8.101 1.00 0.00 H
649
+ ATOM 648 HD22 LEU A 40 22.590 29.274 -8.087 1.00 0.00 H
650
+ ATOM 649 HD23 LEU A 40 22.999 27.806 -7.656 1.00 0.00 H
651
+ ATOM 650 N THR A 41 25.578 28.185 -3.371 1.00 0.00 N
652
+ ATOM 651 CA THR A 41 26.696 28.628 -2.491 1.00 0.00 C
653
+ ATOM 652 C THR A 41 28.023 28.130 -3.068 1.00 0.00 C
654
+ ATOM 653 O THR A 41 28.821 28.899 -3.567 1.00 0.00 O
655
+ ATOM 654 CB THR A 41 26.500 28.048 -1.088 1.00 0.00 C
656
+ ATOM 655 OG1 THR A 41 25.224 28.428 -0.594 1.00 0.00 O
657
+ ATOM 656 CG2 THR A 41 27.590 28.581 -0.157 1.00 0.00 C
658
+ ATOM 657 H THR A 41 25.095 27.547 -3.056 1.00 0.00 H
659
+ ATOM 658 HA THR A 41 26.707 29.597 -2.442 1.00 0.00 H
660
+ ATOM 659 HB THR A 41 26.556 27.080 -1.127 1.00 0.00 H
661
+ ATOM 660 HG1 THR A 41 25.168 28.228 0.220 1.00 0.00 H
662
+ ATOM 661 HG21 THR A 41 27.465 28.213 0.732 1.00 0.00 H
663
+ ATOM 662 HG22 THR A 41 28.461 28.320 -0.495 1.00 0.00 H
664
+ ATOM 663 HG23 THR A 41 27.536 29.549 -0.116 1.00 0.00 H
665
+ ATOM 664 N THR A 42 28.266 26.849 -3.002 1.00 0.00 N
666
+ ATOM 665 CA THR A 42 29.541 26.304 -3.547 1.00 0.00 C
667
+ ATOM 666 C THR A 42 29.347 25.932 -5.019 1.00 0.00 C
668
+ ATOM 667 O THR A 42 30.261 26.013 -5.815 1.00 0.00 O
669
+ ATOM 668 CB THR A 42 29.942 25.056 -2.756 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 42 29.129 24.951 -1.596 1.00 0.00 O
671
+ ATOM 670 CG2 THR A 42 31.411 25.159 -2.342 1.00 0.00 C
672
+ ATOM 671 H THR A 42 27.736 26.266 -2.658 1.00 0.00 H
673
+ ATOM 672 HA THR A 42 30.238 26.974 -3.470 1.00 0.00 H
674
+ ATOM 673 HB THR A 42 29.819 24.270 -3.311 1.00 0.00 H
675
+ ATOM 674 HG1 THR A 42 29.374 24.289 -1.141 1.00 0.00 H
676
+ ATOM 675 HG21 THR A 42 31.663 24.367 -1.841 1.00 0.00 H
677
+ ATOM 676 HG22 THR A 42 31.966 25.230 -3.134 1.00 0.00 H
678
+ ATOM 677 HG23 THR A 42 31.537 25.945 -1.788 1.00 0.00 H
679
+ ATOM 678 N GLY A 43 28.163 25.525 -5.386 1.00 0.00 N
680
+ ATOM 679 CA GLY A 43 27.911 25.148 -6.806 1.00 0.00 C
681
+ ATOM 680 C GLY A 43 28.046 23.631 -6.960 1.00 0.00 C
682
+ ATOM 681 O GLY A 43 28.746 23.146 -7.826 1.00 0.00 O
683
+ ATOM 682 H GLY A 43 27.485 25.451 -4.862 1.00 0.00 H
684
+ ATOM 683 HA2 GLY A 43 27.023 25.433 -7.074 1.00 0.00 H
685
+ ATOM 684 HA3 GLY A 43 28.542 25.600 -7.388 1.00 0.00 H
686
+ ATOM 685 N GLN A 44 27.379 22.878 -6.128 1.00 0.00 N
687
+ ATOM 686 CA GLN A 44 27.472 21.395 -6.231 1.00 0.00 C
688
+ ATOM 687 C GLN A 44 26.152 20.832 -6.764 1.00 0.00 C
689
+ ATOM 688 O GLN A 44 25.190 21.551 -6.952 1.00 0.00 O
690
+ ATOM 689 CB GLN A 44 27.764 20.809 -4.848 1.00 0.00 C
691
+ ATOM 690 CG GLN A 44 29.247 20.996 -4.520 1.00 0.00 C
692
+ ATOM 691 CD GLN A 44 29.858 19.649 -4.128 1.00 0.00 C
693
+ ATOM 692 OE1 GLN A 44 29.744 18.682 -4.856 1.00 0.00 O
694
+ ATOM 693 NE2 GLN A 44 30.509 19.544 -3.002 1.00 0.00 N
695
+ ATOM 694 H GLN A 44 26.870 23.171 -5.500 1.00 0.00 H
696
+ ATOM 695 HA GLN A 44 28.188 21.156 -6.840 1.00 0.00 H
697
+ ATOM 696 HB2 GLN A 44 27.216 21.247 -4.178 1.00 0.00 H
698
+ ATOM 697 HB3 GLN A 44 27.535 19.867 -4.830 1.00 0.00 H
699
+ ATOM 698 HG2 GLN A 44 29.714 21.363 -5.287 1.00 0.00 H
700
+ ATOM 699 HG3 GLN A 44 29.350 21.632 -3.795 1.00 0.00 H
701
+ ATOM 700 HE21 GLN A 44 30.590 20.228 -2.487 1.00 0.00 H
702
+ ATOM 701 HE22 GLN A 44 30.857 18.791 -2.775 1.00 0.00 H
703
+ ATOM 702 N THR A 45 26.099 19.550 -7.009 1.00 0.00 N
704
+ ATOM 703 CA THR A 45 24.843 18.937 -7.531 1.00 0.00 C
705
+ ATOM 704 C THR A 45 24.382 17.824 -6.578 1.00 0.00 C
706
+ ATOM 705 O THR A 45 25.184 17.164 -5.947 1.00 0.00 O
707
+ ATOM 706 CB THR A 45 25.119 18.363 -8.933 1.00 0.00 C
708
+ ATOM 707 OG1 THR A 45 24.886 19.374 -9.904 1.00 0.00 O
709
+ ATOM 708 CG2 THR A 45 24.201 17.171 -9.217 1.00 0.00 C
710
+ ATOM 709 H THR A 45 26.751 19.002 -6.892 1.00 0.00 H
711
+ ATOM 710 HA THR A 45 24.142 19.605 -7.589 1.00 0.00 H
712
+ ATOM 711 HB THR A 45 26.041 18.064 -8.974 1.00 0.00 H
713
+ ATOM 712 HG1 THR A 45 24.943 19.042 -10.674 1.00 0.00 H
714
+ ATOM 713 HG21 THR A 45 24.388 16.822 -10.103 1.00 0.00 H
715
+ ATOM 714 HG22 THR A 45 24.357 16.477 -8.557 1.00 0.00 H
716
+ ATOM 715 HG23 THR A 45 23.275 17.457 -9.171 1.00 0.00 H
717
+ ATOM 716 N GLY A 46 23.095 17.607 -6.472 1.00 0.00 N
718
+ ATOM 717 CA GLY A 46 22.598 16.536 -5.559 1.00 0.00 C
719
+ ATOM 718 C GLY A 46 21.103 16.288 -5.794 1.00 0.00 C
720
+ ATOM 719 O GLY A 46 20.317 17.209 -5.893 1.00 0.00 O
721
+ ATOM 720 H GLY A 46 22.486 18.041 -6.896 1.00 0.00 H
722
+ ATOM 721 HA2 GLY A 46 23.096 15.717 -5.710 1.00 0.00 H
723
+ ATOM 722 HA3 GLY A 46 22.748 16.794 -4.636 1.00 0.00 H
724
+ ATOM 723 N TYR A 47 20.707 15.043 -5.885 1.00 0.00 N
725
+ ATOM 724 CA TYR A 47 19.271 14.721 -6.111 1.00 0.00 C
726
+ ATOM 725 C TYR A 47 18.466 15.060 -4.854 1.00 0.00 C
727
+ ATOM 726 O TYR A 47 18.574 14.395 -3.843 1.00 0.00 O
728
+ ATOM 727 CB TYR A 47 19.126 13.226 -6.397 1.00 0.00 C
729
+ ATOM 728 CG TYR A 47 19.953 12.835 -7.623 1.00 0.00 C
730
+ ATOM 729 CD1 TYR A 47 19.555 13.208 -8.892 1.00 0.00 C
731
+ ATOM 730 CD2 TYR A 47 21.098 12.079 -7.479 1.00 0.00 C
732
+ ATOM 731 CE1 TYR A 47 20.289 12.828 -9.996 1.00 0.00 C
733
+ ATOM 732 CE2 TYR A 47 21.832 11.699 -8.583 1.00 0.00 C
734
+ ATOM 733 CZ TYR A 47 21.433 12.070 -9.851 1.00 0.00 C
735
+ ATOM 734 OH TYR A 47 22.166 11.689 -10.955 1.00 0.00 O
736
+ ATOM 735 H TYR A 47 21.226 14.360 -5.823 1.00 0.00 H
737
+ ATOM 736 HA TYR A 47 18.942 15.238 -6.863 1.00 0.00 H
738
+ ATOM 737 HB2 TYR A 47 19.417 12.714 -5.626 1.00 0.00 H
739
+ ATOM 738 HB3 TYR A 47 18.193 13.008 -6.546 1.00 0.00 H
740
+ ATOM 739 HD1 TYR A 47 18.786 13.719 -9.003 1.00 0.00 H
741
+ ATOM 740 HD2 TYR A 47 21.377 11.823 -6.630 1.00 0.00 H
742
+ ATOM 741 HE1 TYR A 47 20.011 13.085 -10.845 1.00 0.00 H
743
+ ATOM 742 HE2 TYR A 47 22.602 11.189 -8.472 1.00 0.00 H
744
+ ATOM 743 HH TYR A 47 21.801 11.987 -11.650 1.00 0.00 H
745
+ ATOM 744 N ILE A 48 17.656 16.080 -4.904 1.00 0.00 N
746
+ ATOM 745 CA ILE A 48 16.853 16.443 -3.703 1.00 0.00 C
747
+ ATOM 746 C ILE A 48 15.474 15.777 -3.799 1.00 0.00 C
748
+ ATOM 747 O ILE A 48 14.898 15.710 -4.867 1.00 0.00 O
749
+ ATOM 748 CB ILE A 48 16.686 17.962 -3.638 1.00 0.00 C
750
+ ATOM 749 CG1 ILE A 48 16.060 18.465 -4.939 1.00 0.00 C
751
+ ATOM 750 CG2 ILE A 48 18.056 18.617 -3.447 1.00 0.00 C
752
+ ATOM 751 CD1 ILE A 48 14.788 19.253 -4.622 1.00 0.00 C
753
+ ATOM 752 H ILE A 48 17.537 16.582 -5.592 1.00 0.00 H
754
+ ATOM 753 HA ILE A 48 17.307 16.137 -2.902 1.00 0.00 H
755
+ ATOM 754 HB ILE A 48 16.109 18.191 -2.893 1.00 0.00 H
756
+ ATOM 755 HG12 ILE A 48 16.690 19.028 -5.416 1.00 0.00 H
757
+ ATOM 756 HG13 ILE A 48 15.852 17.716 -5.520 1.00 0.00 H
758
+ ATOM 757 HG21 ILE A 48 17.951 19.580 -3.406 1.00 0.00 H
759
+ ATOM 758 HG22 ILE A 48 18.454 18.300 -2.621 1.00 0.00 H
760
+ ATOM 759 HG23 ILE A 48 18.632 18.387 -4.193 1.00 0.00 H
761
+ ATOM 760 HD11 ILE A 48 14.391 19.572 -5.447 1.00 0.00 H
762
+ ATOM 761 HD12 ILE A 48 14.157 18.678 -4.161 1.00 0.00 H
763
+ ATOM 762 HD13 ILE A 48 15.008 20.009 -4.056 1.00 0.00 H
764
+ ATOM 763 N PRO A 49 14.984 15.302 -2.680 1.00 0.00 N
765
+ ATOM 764 CA PRO A 49 13.670 14.636 -2.621 1.00 0.00 C
766
+ ATOM 765 C PRO A 49 12.568 15.610 -3.047 1.00 0.00 C
767
+ ATOM 766 O PRO A 49 12.618 16.785 -2.745 1.00 0.00 O
768
+ ATOM 767 CB PRO A 49 13.498 14.233 -1.151 1.00 0.00 C
769
+ ATOM 768 CG PRO A 49 14.754 14.715 -0.380 1.00 0.00 C
770
+ ATOM 769 CD PRO A 49 15.694 15.392 -1.391 1.00 0.00 C
771
+ ATOM 770 HA PRO A 49 13.615 13.871 -3.215 1.00 0.00 H
772
+ ATOM 771 HB2 PRO A 49 12.696 14.634 -0.780 1.00 0.00 H
773
+ ATOM 772 HB3 PRO A 49 13.398 13.271 -1.071 1.00 0.00 H
774
+ ATOM 773 HG2 PRO A 49 14.505 15.337 0.322 1.00 0.00 H
775
+ ATOM 774 HG3 PRO A 49 15.198 13.967 0.049 1.00 0.00 H
776
+ ATOM 775 HD2 PRO A 49 15.867 16.315 -1.148 1.00 0.00 H
777
+ ATOM 776 HD3 PRO A 49 16.553 14.943 -1.429 1.00 0.00 H
778
+ ATOM 777 N SER A 50 11.574 15.131 -3.744 1.00 0.00 N
779
+ ATOM 778 CA SER A 50 10.472 16.029 -4.188 1.00 0.00 C
780
+ ATOM 779 C SER A 50 9.492 16.264 -3.036 1.00 0.00 C
781
+ ATOM 780 O SER A 50 8.544 17.014 -3.161 1.00 0.00 O
782
+ ATOM 781 CB SER A 50 9.733 15.379 -5.359 1.00 0.00 C
783
+ ATOM 782 OG SER A 50 8.563 14.732 -4.881 1.00 0.00 O
784
+ ATOM 783 H SER A 50 11.493 14.308 -3.981 1.00 0.00 H
785
+ ATOM 784 HA SER A 50 10.845 16.880 -4.466 1.00 0.00 H
786
+ ATOM 785 HB2 SER A 50 9.496 16.051 -6.018 1.00 0.00 H
787
+ ATOM 786 HB3 SER A 50 10.310 14.738 -5.802 1.00 0.00 H
788
+ ATOM 787 HG SER A 50 8.157 14.376 -5.524 1.00 0.00 H
789
+ ATOM 788 N ASN A 51 9.708 15.633 -1.915 1.00 0.00 N
790
+ ATOM 789 CA ASN A 51 8.781 15.830 -0.764 1.00 0.00 C
791
+ ATOM 790 C ASN A 51 9.446 16.726 0.283 1.00 0.00 C
792
+ ATOM 791 O ASN A 51 8.837 17.106 1.264 1.00 0.00 O
793
+ ATOM 792 CB ASN A 51 8.448 14.474 -0.139 1.00 0.00 C
794
+ ATOM 793 CG ASN A 51 7.089 13.997 -0.657 1.00 0.00 C
795
+ ATOM 794 OD1 ASN A 51 6.552 14.558 -1.592 1.00 0.00 O
796
+ ATOM 795 ND2 ASN A 51 6.507 12.978 -0.086 1.00 0.00 N
797
+ ATOM 796 H ASN A 51 10.361 15.092 -1.772 1.00 0.00 H
798
+ ATOM 797 HA ASN A 51 7.965 16.251 -1.076 1.00 0.00 H
799
+ ATOM 798 HB2 ASN A 51 9.135 13.827 -0.361 1.00 0.00 H
800
+ ATOM 799 HB3 ASN A 51 8.429 14.548 0.828 1.00 0.00 H
801
+ ATOM 800 HD21 ASN A 51 5.744 12.703 -0.371 1.00 0.00 H
802
+ ATOM 801 HD22 ASN A 51 6.887 12.581 0.576 1.00 0.00 H
803
+ ATOM 802 N TYR A 52 10.689 17.070 0.084 1.00 0.00 N
804
+ ATOM 803 CA TYR A 52 11.387 17.941 1.070 1.00 0.00 C
805
+ ATOM 804 C TYR A 52 11.591 19.336 0.474 1.00 0.00 C
806
+ ATOM 805 O TYR A 52 12.359 20.128 0.984 1.00 0.00 O
807
+ ATOM 806 CB TYR A 52 12.751 17.335 1.411 1.00 0.00 C
808
+ ATOM 807 CG TYR A 52 12.571 16.089 2.286 1.00 0.00 C
809
+ ATOM 808 CD1 TYR A 52 11.312 15.659 2.658 1.00 0.00 C
810
+ ATOM 809 CD2 TYR A 52 13.672 15.376 2.714 1.00 0.00 C
811
+ ATOM 810 CE1 TYR A 52 11.160 14.535 3.445 1.00 0.00 C
812
+ ATOM 811 CE2 TYR A 52 13.519 14.254 3.500 1.00 0.00 C
813
+ ATOM 812 CZ TYR A 52 12.263 13.824 3.872 1.00 0.00 C
814
+ ATOM 813 OH TYR A 52 12.113 12.702 4.659 1.00 0.00 O
815
+ ATOM 814 H TYR A 52 11.163 16.830 -0.593 1.00 0.00 H
816
+ ATOM 815 HA TYR A 52 10.848 18.008 1.874 1.00 0.00 H
817
+ ATOM 816 HB2 TYR A 52 13.222 17.101 0.596 1.00 0.00 H
818
+ ATOM 817 HB3 TYR A 52 13.296 17.989 1.876 1.00 0.00 H
819
+ ATOM 818 HD1 TYR A 52 10.561 16.130 2.376 1.00 0.00 H
820
+ ATOM 819 HD2 TYR A 52 14.525 15.655 2.470 1.00 0.00 H
821
+ ATOM 820 HE1 TYR A 52 10.308 14.255 3.689 1.00 0.00 H
822
+ ATOM 821 HE2 TYR A 52 14.270 13.783 3.782 1.00 0.00 H
823
+ ATOM 822 HH TYR A 52 12.869 12.412 4.881 1.00 0.00 H
824
+ ATOM 823 N VAL A 53 10.913 19.644 -0.600 1.00 0.00 N
825
+ ATOM 824 CA VAL A 53 11.074 20.991 -1.222 1.00 0.00 C
826
+ ATOM 825 C VAL A 53 9.746 21.445 -1.823 1.00 0.00 C
827
+ ATOM 826 O VAL A 53 8.822 20.672 -1.978 1.00 0.00 O
828
+ ATOM 827 CB VAL A 53 12.133 20.930 -2.325 1.00 0.00 C
829
+ ATOM 828 CG1 VAL A 53 11.848 19.743 -3.245 1.00 0.00 C
830
+ ATOM 829 CG2 VAL A 53 12.108 22.220 -3.144 1.00 0.00 C
831
+ ATOM 830 H VAL A 53 10.359 19.120 -0.998 1.00 0.00 H
832
+ ATOM 831 HA VAL A 53 11.353 21.622 -0.540 1.00 0.00 H
833
+ ATOM 832 HB VAL A 53 13.007 20.825 -1.918 1.00 0.00 H
834
+ ATOM 833 HG11 VAL A 53 12.520 19.706 -3.943 1.00 0.00 H
835
+ ATOM 834 HG12 VAL A 53 11.872 18.921 -2.730 1.00 0.00 H
836
+ ATOM 835 HG13 VAL A 53 10.971 19.847 -3.646 1.00 0.00 H
837
+ ATOM 836 HG21 VAL A 53 12.781 22.174 -3.841 1.00 0.00 H
838
+ ATOM 837 HG22 VAL A 53 11.233 22.330 -3.547 1.00 0.00 H
839
+ ATOM 838 HG23 VAL A 53 12.294 22.975 -2.564 1.00 0.00 H
840
+ ATOM 839 N ALA A 54 9.647 22.699 -2.157 1.00 0.00 N
841
+ ATOM 840 CA ALA A 54 8.382 23.217 -2.751 1.00 0.00 C
842
+ ATOM 841 C ALA A 54 8.672 24.510 -3.521 1.00 0.00 C
843
+ ATOM 842 O ALA A 54 9.516 25.288 -3.124 1.00 0.00 O
844
+ ATOM 843 CB ALA A 54 7.373 23.504 -1.638 1.00 0.00 C
845
+ ATOM 844 H ALA A 54 10.272 23.282 -2.062 1.00 0.00 H
846
+ ATOM 845 HA ALA A 54 8.015 22.554 -3.356 1.00 0.00 H
847
+ ATOM 846 HB1 ALA A 54 6.550 23.841 -2.026 1.00 0.00 H
848
+ ATOM 847 HB2 ALA A 54 7.189 22.687 -1.149 1.00 0.00 H
849
+ ATOM 848 HB3 ALA A 54 7.739 24.167 -1.032 1.00 0.00 H
850
+ ATOM 849 N PRO A 55 7.957 24.703 -4.603 1.00 0.00 N
851
+ ATOM 850 CA PRO A 55 8.122 25.899 -5.448 1.00 0.00 C
852
+ ATOM 851 C PRO A 55 7.791 27.162 -4.647 1.00 0.00 C
853
+ ATOM 852 O PRO A 55 6.762 27.252 -4.008 1.00 0.00 O
854
+ ATOM 853 CB PRO A 55 7.120 25.712 -6.595 1.00 0.00 C
855
+ ATOM 854 CG PRO A 55 6.375 24.373 -6.358 1.00 0.00 C
856
+ ATOM 855 CD PRO A 55 6.934 23.748 -5.070 1.00 0.00 C
857
+ ATOM 856 HA PRO A 55 9.031 26.000 -5.771 1.00 0.00 H
858
+ ATOM 857 HB2 PRO A 55 6.492 26.451 -6.622 1.00 0.00 H
859
+ ATOM 858 HB3 PRO A 55 7.579 25.699 -7.449 1.00 0.00 H
860
+ ATOM 859 HG2 PRO A 55 5.420 24.525 -6.276 1.00 0.00 H
861
+ ATOM 860 HG3 PRO A 55 6.504 23.774 -7.110 1.00 0.00 H
862
+ ATOM 861 HD2 PRO A 55 6.237 23.626 -4.406 1.00 0.00 H
863
+ ATOM 862 HD3 PRO A 55 7.319 22.874 -5.241 1.00 0.00 H
864
+ ATOM 863 N SER A 56 8.657 28.138 -4.675 1.00 0.00 N
865
+ ATOM 864 CA SER A 56 8.390 29.392 -3.915 1.00 0.00 C
866
+ ATOM 865 C SER A 56 9.479 30.421 -4.229 1.00 0.00 C
867
+ ATOM 866 O SER A 56 9.205 31.329 -4.996 1.00 0.00 O
868
+ ATOM 867 CB SER A 56 8.383 29.086 -2.414 1.00 0.00 C
869
+ ATOM 868 OG SER A 56 9.130 30.076 -1.720 1.00 0.00 O
870
+ ATOM 869 OXT SER A 56 10.568 30.282 -3.698 1.00 0.00 O
871
+ ATOM 870 H SER A 56 9.399 28.124 -5.110 1.00 0.00 H
872
+ ATOM 871 HA SER A 56 7.527 29.751 -4.173 1.00 0.00 H
873
+ ATOM 872 HB2 SER A 56 7.471 29.065 -2.083 1.00 0.00 H
874
+ ATOM 873 HB3 SER A 56 8.763 28.209 -2.252 1.00 0.00 H
875
+ ATOM 874 HG SER A 56 9.888 30.155 -2.074 1.00 0.00 H
876
+ TER 875 SER A 56
877
+ END
1qbv/1qbv_ligand.mol2 ADDED
@@ -0,0 +1,130 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1qbv_ligand
7
+ 56 58 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
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+ @<TRIPOS>SUBSTRUCTURE
129
+ 1 PPX 1
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+
1qbv/1qbv_ligand.sdf ADDED
@@ -0,0 +1,120 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1qbv_ligand
2
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+
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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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67
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73
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77
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79
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80
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81
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82
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83
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84
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85
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86
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88
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91
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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107
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112
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113
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114
+ 22 52 1 0 0 0
115
+ 24 53 1 0 0 0
116
+ 25 54 1 0 0 0
117
+ 27 55 1 0 0 0
118
+ 28 56 1 0 0 0
119
+ M END
120
+ $$$$
1qbv/1qbv_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qbv/1qbv_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qy1/1qy1_ligand.mol2 ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1qy1_ligand
7
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11
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12
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14
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15
+ 3 C3 51.2160 23.5720 40.6630 C.ar 1 PRZ 0.1984
16
+ 4 N4 52.1170 22.5790 40.8060 N.ar 1 PRZ -0.2574
17
+ 5 C5 52.1180 21.7900 41.8710 C.ar 1 PRZ 0.0210
18
+ 6 C6 51.1600 21.9900 42.8650 C.ar 1 PRZ 0.0196
19
+ 7 C21 49.1490 24.8530 41.5610 C.3 1 PRZ 0.0043
20
+ 8 C22 48.2800 24.6440 40.3120 C.3 1 PRZ -0.0350
21
+ 9 C23 47.2020 25.7290 40.2570 C.3 1 PRZ -0.0607
22
+ 10 C24 47.6420 23.2490 40.3070 C.3 1 PRZ -0.0607
23
+ 11 O31 51.2340 24.4430 39.6190 O.3 1 PRZ -0.2980
24
+ 12 C31 52.4030 24.3330 38.8150 C.3 1 PRZ 0.0635
25
+ 13 H1 52.8536 20.9997 41.9683 H 1 PRZ 0.0821
26
+ 14 H2 51.1473 21.3558 43.7441 H 1 PRZ 0.0795
27
+ 15 H3 49.6203 25.8456 41.5098 H 1 PRZ 0.0454
28
+ 16 H4 48.5125 24.7950 42.4563 H 1 PRZ 0.0454
29
+ 17 H5 48.9187 24.7357 39.4211 H 1 PRZ 0.0320
30
+ 18 H6 46.5783 25.5812 39.3630 H 1 PRZ 0.0234
31
+ 19 H7 47.6799 26.7187 40.2111 H 1 PRZ 0.0234
32
+ 20 H8 46.5730 25.6669 41.1572 H 1 PRZ 0.0234
33
+ 21 H9 48.4319 22.4845 40.3469 H 1 PRZ 0.0234
34
+ 22 H10 47.0519 23.1189 39.3878 H 1 PRZ 0.0234
35
+ 23 H11 46.9848 23.1432 41.1827 H 1 PRZ 0.0234
36
+ 24 H12 52.3527 25.0623 37.9931 H 1 PRZ 0.0584
37
+ 25 H13 52.4681 23.3165 38.3997 H 1 PRZ 0.0584
38
+ 26 H14 53.2918 24.5352 39.4307 H 1 PRZ 0.0584
39
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41
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42
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43
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44
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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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+ @<TRIPOS>SUBSTRUCTURE
67
+ 1 PRZ 1
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+
1qy1/1qy1_ligand.sdf ADDED
@@ -0,0 +1,58 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1qy1_ligand
2
+ -I-interpret-
3
+
4
+ 26 26 0 0 0 0 0 0 0 0999 V2000
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6
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7
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8
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9
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10
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12
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13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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23
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24
+ 46.5847 25.5815 39.3708 H 0 0 0 0 0
25
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26
+ 47.0146 23.1347 41.1909 H 0 0 0 0 0
27
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28
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29
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30
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31
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32
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55
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56
+ 12 26 1 0 0 0
57
+ M END
58
+ $$$$
1qy1/1qy1_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qy1/1qy1_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1tps/1tps_ligand.mol2 ADDED
@@ -0,0 +1,308 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1tps_ligand
7
+ 145 147 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 23.0880 0.0260 33.5880 C.2 1 VAL 0.2603
14
+ 2 C2 23.4920 0.4240 35.0090 C.3 1 VAL 0.1445
15
+ 3 N3 22.3140 0.8040 35.7780 N.am 1 VAL -0.2620
16
+ 4 C4 21.9350 2.0720 35.8740 C.2 1 YNM 0.2060
17
+ 5 C5 20.5560 2.3260 36.4620 C.3 1 YNM 0.1414
18
+ 6 N6 20.3270 1.5240 37.6610 N.am 1 YNM -0.2513
19
+ 7 C7 19.2380 0.7730 37.8350 C.2 1 LEU 0.2066
20
+ 8 C8 18.2040 0.7150 36.6950 C.3 1 LEU 0.1367
21
+ 9 N9 18.4460 -0.3350 35.6820 N.am 1 LEU -0.2232
22
+ 10 C10 18.4760 0.0690 34.3900 C.2 1 GLU 0.2084
23
+ 11 C11 18.6200 -0.9990 33.3170 C.3 1 GLU 0.1314
24
+ 12 N12 19.3800 -0.4500 32.1950 N.am 1 GLU -0.2637
25
+ 13 C13 18.7640 -0.0100 31.1020 C.2 1 ARG 0.2039
26
+ 14 C14 19.6070 0.8360 30.1490 C.3 1 ARG 0.1311
27
+ 15 N15 20.9850 0.3800 30.0940 N.am 1 ARG -0.2636
28
+ 16 C16 21.9300 1.1170 30.6610 C.2 1 THR 0.2068
29
+ 17 C17 23.3770 0.7190 30.3720 C.3 1 THR 0.1612
30
+ 18 C18 23.8080 -0.4110 31.3370 C.3 1 THR 0.1247
31
+ 19 O19 24.0010 0.1170 32.6640 O.3 1 THR -0.2673
32
+ 20 N20 24.2220 1.8980 30.4860 N.am 1 THR -0.2610
33
+ 21 C21 24.1200 2.8970 29.6150 C.2 1 DLE 0.2040
34
+ 22 C22 25.0950 4.0480 29.7760 C.3 1 DLE 0.1312
35
+ 23 N23 24.3620 5.3090 29.7150 N.am 1 DLE -0.2634
36
+ 24 C24 24.3270 6.1570 30.7320 C.2 1 OSL 0.2095
37
+ 25 C25 23.4840 7.4050 30.5390 C.3 1 OSL 0.1691
38
+ 26 C26 24.3920 8.6190 30.3360 C.3 1 OSL 0.1218
39
+ 27 O27 21.9420 -0.3600 33.3400 O.2 1 VAL -0.3678
40
+ 28 C28 24.2690 -0.7360 35.6870 C.3 1 VAL -0.0049
41
+ 29 C29 24.4890 -0.4150 37.1520 C.3 1 VAL -0.0583
42
+ 30 C30 23.5300 -2.0490 35.5410 C.3 1 VAL -0.0583
43
+ 31 O31 22.6540 3.0140 35.5330 O.2 1 YNM -0.3942
44
+ 32 O32 19.0310 0.1500 38.8790 O.2 1 LEU -0.3942
45
+ 33 O33 18.3720 1.2570 34.0680 O.2 1 GLU -0.3941
46
+ 34 O34 17.5880 -0.2740 30.8580 O.2 1 ARG -0.3944
47
+ 35 O35 21.6650 2.1150 31.3460 O.2 1 THR -0.3943
48
+ 36 C36 20.4040 3.8160 36.7810 C.3 1 YNM 0.0165
49
+ 37 C37 18.9780 4.2270 37.0370 C.ar 1 YNM -0.0492
50
+ 38 C38 18.3760 4.0160 38.2820 C.ar 1 YNM -0.0685
51
+ 39 C39 17.0400 4.3600 38.5000 C.ar 1 YNM -0.0398
52
+ 40 C40 16.3030 4.9200 37.4620 C.ar 1 YNM 0.0805
53
+ 41 O41 14.9940 5.3040 37.6460 O.3 1 YNM -0.3376
54
+ 42 C42 16.8880 5.1360 36.2250 C.ar 1 YNM -0.0398
55
+ 43 C43 18.2150 4.7890 36.0210 C.ar 1 YNM -0.0685
56
+ 44 C44 21.3470 1.5860 38.7070 C.3 1 YNM 0.0256
57
+ 45 C45 16.8210 0.3710 37.2680 C.3 1 LEU -0.0098
58
+ 46 C46 15.5360 0.3760 36.4360 C.3 1 LEU -0.0425
59
+ 47 C47 14.3640 0.1840 37.3900 C.3 1 LEU -0.0625
60
+ 48 C48 15.3790 1.6710 35.6820 C.3 1 LEU -0.0625
61
+ 49 C49 19.2820 -2.2590 33.8680 C.3 1 GLU -0.0081
62
+ 50 C50 18.7160 -2.6380 35.2110 C.3 1 GLU -0.0006
63
+ 51 C51 18.9750 -1.5760 36.2820 C.3 1 GLU 0.1451
64
+ 52 O52 20.3930 -1.4680 36.4560 O.3 1 GLU -0.3697
65
+ 53 C53 19.0220 0.8990 28.7360 C.3 1 ARG -0.0092
66
+ 54 C54 19.5990 2.0650 27.9660 C.3 1 ARG -0.0156
67
+ 55 C55 19.2920 2.0710 26.4780 C.3 1 ARG 0.0627
68
+ 56 N56 19.7210 3.3560 25.9240 N.pl3 1 ARG -0.2723
69
+ 57 C57 19.4860 3.7790 24.6820 C.cat 1 ARG 0.2882
70
+ 58 N58 18.8130 3.0220 23.8230 N.pl3 1 ARG -0.2849
71
+ 59 N59 19.8790 4.9940 24.3190 N.pl3 1 ARG -0.2849
72
+ 60 C60 25.1070 -1.0790 30.8680 C.3 1 THR -0.0298
73
+ 61 O61 23.2980 2.9100 28.6980 O.2 1 DLE -0.3944
74
+ 62 C62 26.1320 3.9880 28.6540 C.3 1 DLE -0.0101
75
+ 63 C63 27.2110 5.0660 28.7160 C.3 1 DLE -0.0425
76
+ 64 C64 28.1740 4.7360 29.8360 C.3 1 DLE -0.0625
77
+ 65 C65 27.9420 5.1880 27.3860 C.3 1 DLE -0.0625
78
+ 66 O66 24.9590 5.9770 31.7720 O.2 1 OSL -0.3940
79
+ 67 O67 22.7010 7.2020 29.3670 O.3 1 OSL -0.3690
80
+ 68 O68 25.2710 8.2920 29.2130 O.3 1 OSL -0.2108
81
+ 69 S69 26.4760 9.2450 28.8840 S.o2 1 OSL 0.2077
82
+ 70 O70 25.8690 10.5700 28.5560 O.2 1 OSL -0.1181
83
+ 71 O71 27.3810 9.3390 30.0600 O.2 1 OSL -0.1181
84
+ 72 O72 27.2430 8.6810 27.7130 O.3 1 OSL -0.2311
85
+ 73 H1 24.1596 1.2963 34.9505 H 1 VAL 0.0819
86
+ 74 H2 21.7814 0.0961 36.2419 H 1 VAL 0.1885
87
+ 75 H3 19.8013 2.0476 35.7118 H 1 YNM 0.0823
88
+ 76 H4 18.1809 1.6977 36.2013 H 1 LEU 0.0803
89
+ 77 H5 17.6160 -1.2706 32.9591 H 1 GLU 0.0800
90
+ 78 H6 20.3774 -0.4048 32.2505 H 1 GLU 0.1883
91
+ 79 H7 19.6123 1.8609 30.5483 H 1 ARG 0.0800
92
+ 80 H8 21.2176 -0.4775 29.6351 H 1 ARG 0.1883
93
+ 81 H9 23.4457 0.3393 29.3419 H 1 THR 0.0830
94
+ 82 H10 23.0114 -1.1690 31.3660 H 1 THR 0.0696
95
+ 83 H11 24.8882 1.9576 31.2294 H 1 THR 0.1884
96
+ 84 H12 25.6034 3.9675 30.7481 H 1 DLE 0.0800
97
+ 85 H13 23.8692 5.5407 28.8763 H 1 DLE 0.1883
98
+ 86 H14 22.8342 7.5659 31.4119 H 1 OSL 0.0862
99
+ 87 H15 24.9862 8.8059 31.2426 H 1 OSL 0.0636
100
+ 88 H16 23.7903 9.5096 30.1018 H 1 OSL 0.0636
101
+ 89 H17 25.2489 -0.8334 35.1967 H 1 VAL 0.0344
102
+ 90 H18 25.0398 -1.2390 37.6292 H 1 VAL 0.0235
103
+ 91 H19 23.5163 -0.2876 37.6496 H 1 VAL 0.0235
104
+ 92 H20 25.0707 0.5144 37.2404 H 1 VAL 0.0235
105
+ 93 H21 23.3783 -2.2676 34.4737 H 1 VAL 0.0235
106
+ 94 H22 22.5539 -1.9782 36.0431 H 1 VAL 0.0235
107
+ 95 H23 24.1208 -2.8553 36.0000 H 1 VAL 0.0235
108
+ 96 H24 20.7872 4.3965 35.9289 H 1 YNM 0.0453
109
+ 97 H25 20.9994 4.0439 37.6774 H 1 YNM 0.0453
110
+ 98 H26 18.9542 3.5796 39.0884 H 1 YNM 0.0530
111
+ 99 H27 16.5823 4.1922 39.4682 H 1 YNM 0.0525
112
+ 100 H28 14.6533 5.6626 36.8349 H 1 YNM 0.2458
113
+ 101 H29 16.3105 5.5747 35.4194 H 1 YNM 0.0525
114
+ 102 H30 18.6657 4.9595 35.0500 H 1 YNM 0.0530
115
+ 103 H31 21.0510 0.9398 39.5465 H 1 YNM 0.0488
116
+ 104 H32 21.4475 2.6229 39.0602 H 1 YNM 0.0488
117
+ 105 H33 22.3098 1.2419 38.3012 H 1 YNM 0.0488
118
+ 106 H34 16.6502 1.0831 38.0888 H 1 LEU 0.0315
119
+ 107 H35 16.9099 -0.6461 37.6774 H 1 LEU 0.0315
120
+ 108 H36 15.5652 -0.4546 35.7155 H 1 LEU 0.0298
121
+ 109 H37 13.4234 0.1832 36.8197 H 1 LEU 0.0232
122
+ 110 H38 14.3484 1.0052 38.1217 H 1 LEU 0.0232
123
+ 111 H39 14.4738 -0.7750 37.9174 H 1 LEU 0.0232
124
+ 112 H40 16.2290 1.8013 34.9961 H 1 LEU 0.0232
125
+ 113 H41 15.3508 2.5089 36.3941 H 1 LEU 0.0232
126
+ 114 H42 14.4426 1.6483 35.1052 H 1 LEU 0.0232
127
+ 115 H43 20.3619 -2.0784 33.9734 H 1 GLU 0.0314
128
+ 116 H44 19.1158 -3.0873 33.1635 H 1 GLU 0.0314
129
+ 117 H45 19.1776 -3.5829 35.5335 H 1 GLU 0.0313
130
+ 118 H46 17.6296 -2.7768 35.1086 H 1 GLU 0.0313
131
+ 119 H47 18.4777 -1.8141 37.2338 H 1 GLU 0.0869
132
+ 120 H48 20.7255 -2.2698 36.8422 H 1 GLU 0.2122
133
+ 121 H49 17.9303 1.0162 28.8028 H 1 ARG 0.0313
134
+ 122 H50 19.2587 -0.0353 28.2060 H 1 ARG 0.0313
135
+ 123 H51 20.6920 2.0464 28.0881 H 1 ARG 0.0301
136
+ 124 H52 19.1972 2.9923 28.4004 H 1 ARG 0.0301
137
+ 125 H53 18.2111 1.9409 26.3209 H 1 ARG 0.0689
138
+ 126 H54 19.8356 1.2528 25.9830 H 1 ARG 0.0689
139
+ 127 H55 20.2483 3.9858 26.5455 H 1 ARG 0.2642
140
+ 128 H56 18.6379 3.3601 22.8660 H 1 ARG 0.2615
141
+ 129 H57 18.4662 2.0968 24.1138 H 1 ARG 0.2615
142
+ 130 H58 20.4013 5.5856 24.9810 H 1 ARG 0.2615
143
+ 131 H59 19.6617 5.3451 23.3754 H 1 ARG 0.2615
144
+ 132 H60 25.3852 -1.8756 31.5738 H 1 THR 0.0260
145
+ 133 H61 25.9106 -0.3291 30.8262 H 1 THR 0.0260
146
+ 134 H62 24.9566 -1.5114 29.8678 H 1 THR 0.0260
147
+ 135 H63 25.6033 4.0889 27.6947 H 1 DLE 0.0315
148
+ 136 H64 26.6269 3.0066 28.6985 H 1 DLE 0.0315
149
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+ $$$$
1tps/1tps_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1tps/1tps_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1u9x/1u9x_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
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+ ###
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1u9x/1u9x_protein_processed_fix.pdb ADDED
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1y6b/1y6b_protein_processed_fix.pdb ADDED
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+ M END
153
+ $$$$