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Add batch 195

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  1. 1c87/1c87_ligand.mol2 +67 -0
  2. 1c87/1c87_ligand.sdf +61 -0
  3. 1c87/1c87_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1c87/1c87_protein_processed_fix.pdb +0 -0
  5. 1ckb/1ckb_ligand.mol2 +268 -0
  6. 1ckb/1ckb_ligand.sdf +256 -0
  7. 1ckb/1ckb_protein_esmfold_aligned_tr_fix.pdb +485 -0
  8. 1ckb/1ckb_protein_processed_fix.pdb +935 -0
  9. 1eoj/1eoj_ligand.mol2 +486 -0
  10. 1eoj/1eoj_ligand.sdf +484 -0
  11. 1eoj/1eoj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1eoj/1eoj_protein_processed_fix.pdb +0 -0
  13. 1fjs/1fjs_ligand.mol2 +143 -0
  14. 1fjs/1fjs_ligand.sdf +133 -0
  15. 1fjs/1fjs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1fjs/1fjs_protein_processed_fix.pdb +0 -0
  17. 1gmy/1gmy_ligand.mol2 +134 -0
  18. 1gmy/1gmy_ligand.sdf +124 -0
  19. 1gmy/1gmy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1gmy/1gmy_protein_processed_fix.pdb +0 -0
  21. 1m2q/1m2q_ligand.mol2 +72 -0
  22. 1m2q/1m2q_ligand.sdf +62 -0
  23. 1m2q/1m2q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1m2q/1m2q_protein_processed_fix.pdb +0 -0
  25. 1mrw/1mrw_ligand.mol2 +166 -0
  26. 1mrw/1mrw_ligand.sdf +156 -0
  27. 1mrw/1mrw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1mrw/1mrw_protein_processed_fix.pdb +0 -0
  29. 1mwt/1mwt_ligand.mol2 +103 -0
  30. 1mwt/1mwt_ligand.sdf +95 -0
  31. 1mwt/1mwt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1mwt/1mwt_protein_processed_fix.pdb +0 -0
  33. 1okl/1okl_ligand.mol2 +79 -0
  34. 1okl/1okl_ligand.sdf +69 -0
  35. 1okl/1okl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1okl/1okl_protein_processed_fix.pdb +0 -0
  37. 1rbo/1rbo_ligand.mol2 +75 -0
  38. 1rbo/1rbo_ligand.sdf +75 -0
  39. 1rbo/1rbo_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1rbo/1rbo_protein_processed_fix.pdb +0 -0
  41. 1rdi/1rdi_protein_esmfold_aligned_tr_fix.pdb +871 -0
  42. 1rdi/1rdi_protein_processed_fix.pdb +0 -0
  43. 1w7h/1w7h_ligand.mol2 +71 -0
  44. 1w7h/1w7h_ligand.sdf +61 -0
  45. 1w7h/1w7h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 1w7h/1w7h_protein_processed_fix.pdb +0 -0
  47. 1zsh/1zsh_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1zsh/1zsh_protein_processed_fix.pdb +0 -0
  49. 2f18/2f18_ligand.mol2 +97 -0
  50. 2f18/2f18_ligand.sdf +87 -0
1c87/1c87_ligand.mol2 ADDED
@@ -0,0 +1,67 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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+ 1c87_ligand
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+ 25 26 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+ @<TRIPOS>ATOM
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+ 1 O1 13.8520 44.7350 16.7810 O.3 1 OPA -0.3707
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+ 2 C2 13.8860 45.2420 18.1090 C.3 1 OPA 0.0750
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+ 3 C3 12.4530 45.3500 18.5400 C.2 1 OPA 0.0147
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+ 4 C4 11.3710 45.0070 17.8060 C.2 1 OPA -0.0724
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+ 5 C5 11.4160 44.1730 16.5640 C.3 1 OPA -0.0185
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+ 6 C6 12.8920 43.6890 16.5220 C.3 1 OPA 0.0536
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+ 7 S13 12.0250 46.1190 20.0430 S.3 1 OPA -0.0212
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+ 8 C14 10.3900 45.9070 19.6500 C.2 1 OPA 0.1339
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+ 9 C15 10.1010 45.3820 18.4480 C.2 1 OPA 0.0006
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+ 10 C16 8.6910 45.2280 17.9250 C.2 1 OPA 0.0260
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+ 11 O17 7.6230 45.4050 18.6800 O.co2 1 OPA -0.5769
24
+ 12 O18 8.5240 44.8110 16.8090 O.co2 1 OPA -0.5769
25
+ 13 N19 9.3280 46.2860 20.5150 N.am 1 OPA -0.2107
26
+ 14 C20 9.4010 46.9470 21.6870 C.2 1 OPA 0.2766
27
+ 15 C21 7.9860 47.3240 22.2660 C.2 1 OPA 0.1508
28
+ 16 O22 7.0460 46.5860 22.2500 O.co2 1 OPA -0.5455
29
+ 17 O23 7.8950 48.5360 22.8840 O.co2 1 OPA -0.5455
30
+ 18 O24 10.4090 47.1980 22.3170 O.2 1 OPA -0.3509
31
+ 19 H1 14.3681 46.2305 18.1298 H 1 OPA 0.0668
32
+ 20 H2 14.4338 44.5529 18.7686 H 1 OPA 0.0668
33
+ 21 H3 11.1713 44.7734 15.6754 H 1 OPA 0.0370
34
+ 22 H4 10.7226 43.3219 16.6338 H 1 OPA 0.0370
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+ 23 H5 13.0216 42.9028 17.2804 H 1 OPA 0.0576
36
+ 24 H6 13.0928 43.2724 15.5239 H 1 OPA 0.0576
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+ 25 H7 8.4090 46.0293 20.2156 H 1 OPA 0.2352
38
+ @<TRIPOS>BOND
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+ 1 1 6 1
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+ 2 1 2 1
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+ 3 2 3 1
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+ 4 3 7 1
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+ 5 3 4 2
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+ 6 4 9 1
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+ 7 4 5 1
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+ 8 5 6 1
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+ 9 9 10 1
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+ 10 9 8 2
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+ 11 8 13 am
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+ 12 8 7 1
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+ 13 13 14 am
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+ 14 14 18 2
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+ 15 14 15 1
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+ 16 15 17 ar
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+ 17 15 16 ar
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+ 18 10 12 ar
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+ 19 10 11 ar
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+ 20 2 19 1
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+ 21 2 20 1
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+ 22 5 21 1
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+ 23 5 22 1
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+ 24 6 23 1
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+ 25 6 24 1
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+ 26 13 25 1
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 OPA 1
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+
1c87/1c87_ligand.sdf ADDED
@@ -0,0 +1,61 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ 1c87_ligand
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+ -I-interpret-
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+
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+ 27 28 0 0 0 0 0 0 0 0999 V2000
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+ 13.8520 44.7350 16.7810 O 0 0 0 0 0
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+ 13.8860 45.2420 18.1090 C 0 0 0 0 0
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+ 12.4530 45.3500 18.5400 C 0 0 0 0 0
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+ 11.3710 45.0070 17.8060 C 0 0 0 0 0
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+ 11.4160 44.1730 16.5640 C 0 0 0 0 0
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+ 12.8920 43.6890 16.5220 C 0 0 0 0 0
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+ 12.0250 46.1190 20.0430 S 0 0 0 0 0
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+ 10.3900 45.9070 19.6500 C 0 0 0 0 0
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+ 10.1010 45.3820 18.4480 C 0 0 0 0 0
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+ 8.6910 45.2280 17.9250 C 0 0 0 0 0
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+ 7.6230 45.4050 18.6800 O 0 0 0 0 0
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+ 8.5240 44.8110 16.8090 O 0 0 0 0 0
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+ 9.3280 46.2860 20.5150 N 0 0 0 0 0
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+ 9.4010 46.9470 21.6870 C 0 0 0 0 0
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+ 7.9860 47.3240 22.2660 C 0 0 0 0 0
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+ 7.0460 46.5860 22.2500 O 0 0 0 0 0
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+ 7.8950 48.5360 22.8840 O 0 0 0 0 0
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+ 10.4090 47.1980 22.3170 O 0 0 0 0 0
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+ 14.3878 46.2086 18.1524 H 0 0 0 0 0
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+ 14.4514 44.5855 18.7705 H 0 0 0 0 0
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+ 11.1277 44.7282 15.6714 H 0 0 0 0 0
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+ 10.7017 43.3499 16.5815 H 0 0 0 0 0
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+ 13.0110 42.9365 17.3016 H 0 0 0 0 0
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+ 13.0833 43.3119 15.5173 H 0 0 0 0 0
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+ 7.8916 45.7385 19.5392 H 0 0 0 0 0
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+ 11 25 1 0 0 0
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+ 13 26 1 0 0 0
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+ 17 27 1 0 0 0
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+ M END
61
+ $$$$
1c87/1c87_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1c87/1c87_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ckb/1ckb_ligand.mol2 ADDED
@@ -0,0 +1,268 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1ckb_ligand
7
+ 124 128 1 0 0
8
+ SMALL
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+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 122.0740 139.0660 17.8570 N.4 1 PRO 0.2461
14
+ 2 CA 121.0060 138.0680 17.8280 C.3 1 PRO 0.0671
15
+ 3 C 121.6070 136.7390 17.4500 C.2 1 PRO 0.2293
16
+ 4 O 122.7370 136.6690 16.9810 O.2 1 PRO -0.3905
17
+ 5 CB 120.0900 138.5730 16.7030 C.3 1 PRO 0.0127
18
+ 6 CG 120.3690 139.9990 16.6300 C.3 1 PRO -0.0053
19
+ 7 CD 121.8590 140.0630 16.8000 C.3 1 PRO -0.0313
20
+ 8 N 120.8470 135.6590 17.6310 N.am 1 PRO -0.2471
21
+ 9 CA 121.3860 134.3500 17.2820 C.3 1 PRO 0.1341
22
+ 10 C 121.5310 134.1080 15.7710 C.2 1 PRO 0.2066
23
+ 11 O 121.0600 134.9020 14.9430 O.2 1 PRO -0.3942
24
+ 12 CB 120.3980 133.3910 17.9560 C.3 1 PRO -0.0104
25
+ 13 CG 119.1260 134.1790 18.0700 C.3 1 PRO -0.0281
26
+ 14 CD 119.5840 135.5510 18.3790 C.3 1 PRO 0.0371
27
+ 15 N 122.3080 133.0780 15.3940 N.am 1 PRO -0.2498
28
+ 16 CA 122.4580 132.8060 13.9640 C.3 1 PRO 0.1338
29
+ 17 C 121.0980 132.4070 13.3900 C.2 1 PRO 0.2041
30
+ 18 O 120.2980 131.7460 14.0600 O.2 1 PRO -0.3944
31
+ 19 CB 123.4680 131.6450 13.9260 C.3 1 PRO -0.0104
32
+ 20 CG 123.4260 131.0570 15.2720 C.3 1 PRO -0.0281
33
+ 21 CD 123.1980 132.2200 16.1960 C.3 1 PRO 0.0369
34
+ 22 N 120.7860 132.9240 12.2130 N.am 1 VAL -0.2635
35
+ 23 CA 119.5260 132.5870 11.5830 C.3 1 VAL 0.1334
36
+ 24 C 119.8340 131.2480 10.9460 C.2 1 VAL 0.2066
37
+ 25 O 120.7450 131.1410 10.1140 O.2 1 VAL -0.3942
38
+ 26 CB 119.0830 133.6180 10.5140 C.3 1 VAL -0.0062
39
+ 27 CG1 117.7510 133.2110 9.9380 C.3 1 VAL -0.0584
40
+ 28 CG2 118.9250 134.9820 11.1210 C.3 1 VAL -0.0584
41
+ 29 N 119.0800 130.2030 11.3320 N.am 1 PRO -0.2498
42
+ 30 CA 119.2720 128.8400 10.8110 C.3 1 PRO 0.1340
43
+ 31 C 119.0650 128.6750 9.3100 C.2 1 PRO 0.2066
44
+ 32 O 118.2800 129.3890 8.6970 O.2 1 PRO -0.3942
45
+ 33 CB 118.2430 128.0270 11.5940 C.3 1 PRO -0.0104
46
+ 34 CG 117.1190 129.0210 11.7950 C.3 1 PRO -0.0281
47
+ 35 CD 117.8760 130.2830 12.1860 C.3 1 PRO 0.0369
48
+ 36 N 119.7760 127.7190 8.6970 N.am 1 PRO -0.2498
49
+ 37 CA 119.5840 127.5290 7.2610 C.3 1 PRO 0.1338
50
+ 38 C 118.1760 126.9500 7.0210 C.2 1 PRO 0.2041
51
+ 39 O 117.5480 126.4020 7.9470 O.2 1 PRO -0.3944
52
+ 40 CB 120.6840 126.4920 6.9080 C.3 1 PRO -0.0104
53
+ 41 CG 120.8030 125.6780 8.1800 C.3 1 PRO -0.0281
54
+ 42 CD 120.7770 126.7680 9.2370 C.3 1 PRO 0.0369
55
+ 43 N 117.6910 127.0900 5.7920 N.am 1 ARG -0.2637
56
+ 44 CA 116.3960 126.5580 5.3880 C.3 1 ARG 0.1309
57
+ 45 C 116.6790 125.2200 4.7020 C.2 1 ARG 0.2019
58
+ 46 O 117.8020 124.9620 4.2650 O.2 1 ARG -0.3945
59
+ 47 CB 115.7310 127.5070 4.3950 C.3 1 ARG -0.0092
60
+ 48 CG 116.1130 128.9720 4.6080 C.3 1 ARG -0.0156
61
+ 49 CD 115.3270 129.9170 3.7120 C.3 1 ARG 0.0627
62
+ 50 NE 114.1500 130.4320 4.4000 N.pl3 1 ARG -0.2723
63
+ 51 CZ 113.9710 131.7080 4.7340 C.cat 1 ARG 0.2882
64
+ 52 NH1 114.8680 132.6460 4.4460 N.pl3 1 ARG -0.2849
65
+ 53 NH2 112.9320 132.0330 5.4600 N.pl3 1 ARG -0.2849
66
+ 54 N 115.6730 124.3600 4.5990 N.am 1 ARG -0.2825
67
+ 55 CA 115.8620 123.0660 3.9460 C.3 1 ARG 0.0365
68
+ 56 C 114.7420 122.7470 2.9590 C.3 1 ARG -0.0423
69
+ 57 CB 115.9940 121.9650 4.9850 C.3 1 ARG -0.0423
70
+ 58 H1 122.9609 138.6101 17.7103 H 1 PRO 0.2035
71
+ 59 H2 122.0768 139.5259 18.7540 H 1 PRO 0.2035
72
+ 60 H3 120.4750 137.9980 18.7888 H 1 PRO 0.1099
73
+ 61 H4 119.0332 138.3943 16.9503 H 1 PRO 0.0347
74
+ 62 H5 120.3325 138.0787 15.7507 H 1 PRO 0.0347
75
+ 63 H6 119.8558 140.5437 17.4362 H 1 PRO 0.0320
76
+ 64 H7 120.0645 140.4117 15.6569 H 1 PRO 0.0320
77
+ 65 H8 122.3818 139.7854 15.8729 H 1 PRO 0.0814
78
+ 66 H9 122.1847 141.0640 17.1190 H 1 PRO 0.0814
79
+ 67 H10 122.3829 134.2319 17.7318 H 1 PRO 0.0802
80
+ 68 H11 120.7617 133.0942 18.9508 H 1 PRO 0.0313
81
+ 69 H12 120.2451 132.4935 17.3387 H 1 PRO 0.0313
82
+ 70 H13 118.4934 133.7860 18.8795 H 1 PRO 0.0287
83
+ 71 H14 118.5660 134.1573 17.1235 H 1 PRO 0.0287
84
+ 72 H15 118.8548 136.2979 18.0322 H 1 PRO 0.0524
85
+ 73 H16 119.7527 135.6769 19.4587 H 1 PRO 0.0524
86
+ 74 H17 122.8474 133.6820 13.4246 H 1 PRO 0.0802
87
+ 75 H18 124.4774 132.0185 13.6991 H 1 PRO 0.0313
88
+ 76 H19 123.1737 130.9016 13.1705 H 1 PRO 0.0313
89
+ 77 H20 124.3779 130.5579 15.5060 H 1 PRO 0.0287
90
+ 78 H21 122.6025 130.3322 15.3520 H 1 PRO 0.0287
91
+ 79 H22 122.7107 131.8999 17.1288 H 1 PRO 0.0524
92
+ 80 H23 124.1416 132.7334 16.4327 H 1 PRO 0.0524
93
+ 81 H24 121.4208 133.5482 11.7576 H 1 VAL 0.1883
94
+ 82 H25 118.7306 132.4921 12.3368 H 1 VAL 0.0803
95
+ 83 H26 119.8377 133.6565 9.7147 H 1 VAL 0.0343
96
+ 84 H27 117.4398 133.9448 9.1799 H 1 VAL 0.0234
97
+ 85 H28 117.0004 133.1729 10.7412 H 1 VAL 0.0234
98
+ 86 H29 117.8407 132.2184 9.4725 H 1 VAL 0.0234
99
+ 87 H30 119.8846 135.3056 11.5505 H 1 VAL 0.0234
100
+ 88 H31 118.1627 134.9448 11.9132 H 1 VAL 0.0234
101
+ 89 H32 118.6120 135.6951 10.3441 H 1 VAL 0.0234
102
+ 90 H33 120.2901 128.4989 11.0499 H 1 PRO 0.0802
103
+ 91 H34 118.6528 127.6910 12.5579 H 1 PRO 0.0313
104
+ 92 H35 117.9030 127.1550 11.0161 H 1 PRO 0.0313
105
+ 93 H36 116.4393 128.6983 12.5974 H 1 PRO 0.0287
106
+ 94 H37 116.5468 129.1698 10.8674 H 1 PRO 0.0287
107
+ 95 H38 117.2882 131.1857 11.9630 H 1 PRO 0.0524
108
+ 96 H39 118.1427 130.2734 13.2531 H 1 PRO 0.0524
109
+ 97 H40 119.7143 128.4652 6.6983 H 1 PRO 0.0802
110
+ 98 H41 121.6346 126.9901 6.6667 H 1 PRO 0.0313
111
+ 99 H42 120.3756 125.8606 6.0617 H 1 PRO 0.0313
112
+ 100 H43 121.7458 125.1121 8.2088 H 1 PRO 0.0287
113
+ 101 H44 119.9561 124.9856 8.2953 H 1 PRO 0.0287
114
+ 102 H45 120.4597 126.3684 10.2115 H 1 PRO 0.0524
115
+ 103 H46 121.7628 127.2450 9.3396 H 1 PRO 0.0524
116
+ 104 H47 118.2384 127.5818 5.1149 H 1 ARG 0.1883
117
+ 105 H48 115.7460 126.4157 6.2639 H 1 ARG 0.0800
118
+ 106 H49 114.6400 127.4123 4.4989 H 1 ARG 0.0313
119
+ 107 H50 116.0294 127.2130 3.3779 H 1 ARG 0.0313
120
+ 108 H51 117.1849 129.0917 4.3921 H 1 ARG 0.0301
121
+ 109 H52 115.9184 129.2380 5.6575 H 1 ARG 0.0301
122
+ 110 H53 115.0076 129.3748 2.8098 H 1 ARG 0.0689
123
+ 111 H54 115.9726 130.7598 3.4240 H 1 ARG 0.0689
124
+ 112 H55 113.4060 129.7630 4.6445 H 1 ARG 0.2642
125
+ 113 H56 114.6965 133.6240 4.7198 H 1 ARG 0.2615
126
+ 114 H57 115.7345 132.3947 3.9491 H 1 ARG 0.2615
127
+ 115 H58 112.2250 131.3217 5.6948 H 1 ARG 0.2615
128
+ 116 H59 112.8212 133.0001 5.7967 H 1 ARG 0.2615
129
+ 117 H60 114.7767 124.5999 4.9720 H 1 ARG 0.1854
130
+ 118 H61 116.8030 123.1121 3.3782 H 1 ARG 0.0550
131
+ 119 H62 114.9295 121.7670 2.4959 H 1 ARG 0.0252
132
+ 120 H63 114.7096 123.5213 2.1783 H 1 ARG 0.0252
133
+ 121 H64 113.7798 122.7228 3.4915 H 1 ARG 0.0252
134
+ 122 H65 116.1355 120.9985 4.4791 H 1 ARG 0.0252
135
+ 123 H66 115.0813 121.9278 5.5979 H 1 ARG 0.0252
136
+ 124 H67 116.8607 122.1715 5.6300 H 1 ARG 0.0252
137
+ @<TRIPOS>BOND
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+ 22 17 22 am
160
+ 23 19 20 1
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+ $$$$
1ckb/1ckb_protein_esmfold_aligned_tr_fix.pdb ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 95.690 126.652 20.724 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 96.565 127.579 20.010 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 97.885 127.770 20.754 1.00 0.00 C
5
+ ATOM 4 CB ALA A 1 95.871 128.923 19.812 1.00 0.00 C
6
+ ATOM 5 O ALA A 1 97.893 128.024 21.960 1.00 0.00 O
7
+ ATOM 6 N GLU A 2 99.031 127.560 20.073 1.00 0.00 N
8
+ ATOM 7 CA GLU A 2 100.374 127.760 20.609 1.00 0.00 C
9
+ ATOM 8 C GLU A 2 100.904 129.149 20.264 1.00 0.00 C
10
+ ATOM 9 CB GLU A 2 101.329 126.686 20.083 1.00 0.00 C
11
+ ATOM 10 O GLU A 2 100.775 129.603 19.125 1.00 0.00 O
12
+ ATOM 11 CG GLU A 2 102.684 126.675 20.776 1.00 0.00 C
13
+ ATOM 12 CD GLU A 2 103.554 125.495 20.373 1.00 0.00 C
14
+ ATOM 13 OE1 GLU A 2 103.155 124.727 19.468 1.00 0.00 O
15
+ ATOM 14 OE2 GLU A 2 104.643 125.335 20.968 1.00 0.00 O
16
+ ATOM 15 N TYR A 3 101.438 129.859 21.302 1.00 0.00 N
17
+ ATOM 16 CA TYR A 3 101.992 131.199 21.148 1.00 0.00 C
18
+ ATOM 17 C TYR A 3 103.465 131.230 21.539 1.00 0.00 C
19
+ ATOM 18 CB TYR A 3 101.206 132.206 21.993 1.00 0.00 C
20
+ ATOM 19 O TYR A 3 103.897 130.475 22.413 1.00 0.00 O
21
+ ATOM 20 CG TYR A 3 99.811 132.470 21.481 1.00 0.00 C
22
+ ATOM 21 CD1 TYR A 3 99.562 133.502 20.579 1.00 0.00 C
23
+ ATOM 22 CD2 TYR A 3 98.739 131.688 21.900 1.00 0.00 C
24
+ ATOM 23 CE1 TYR A 3 98.277 133.749 20.107 1.00 0.00 C
25
+ ATOM 24 CE2 TYR A 3 97.451 131.928 21.435 1.00 0.00 C
26
+ ATOM 25 OH TYR A 3 95.955 133.199 20.074 1.00 0.00 O
27
+ ATOM 26 CZ TYR A 3 97.230 132.958 20.539 1.00 0.00 C
28
+ ATOM 27 N VAL A 4 104.173 132.121 20.961 1.00 0.00 N
29
+ ATOM 28 CA VAL A 4 105.573 132.371 21.290 1.00 0.00 C
30
+ ATOM 29 C VAL A 4 105.814 133.873 21.418 1.00 0.00 C
31
+ ATOM 30 CB VAL A 4 106.522 131.768 20.231 1.00 0.00 C
32
+ ATOM 31 O VAL A 4 105.056 134.679 20.872 1.00 0.00 O
33
+ ATOM 32 CG1 VAL A 4 106.410 130.244 20.210 1.00 0.00 C
34
+ ATOM 33 CG2 VAL A 4 106.217 132.347 18.851 1.00 0.00 C
35
+ ATOM 34 N ARG A 5 106.846 134.240 22.162 1.00 0.00 N
36
+ ATOM 35 CA ARG A 5 107.321 135.613 22.290 1.00 0.00 C
37
+ ATOM 36 C ARG A 5 108.668 135.793 21.598 1.00 0.00 C
38
+ ATOM 37 CB ARG A 5 107.432 136.009 23.764 1.00 0.00 C
39
+ ATOM 38 O ARG A 5 109.579 134.982 21.781 1.00 0.00 O
40
+ ATOM 39 CG ARG A 5 107.799 137.469 23.983 1.00 0.00 C
41
+ ATOM 40 CD ARG A 5 107.752 137.846 25.458 1.00 0.00 C
42
+ ATOM 41 NE ARG A 5 108.712 137.072 26.242 1.00 0.00 N
43
+ ATOM 42 NH1 ARG A 5 109.951 138.902 26.914 1.00 0.00 N
44
+ ATOM 43 NH2 ARG A 5 110.545 136.797 27.597 1.00 0.00 N
45
+ ATOM 44 CZ ARG A 5 109.734 137.592 26.916 1.00 0.00 C
46
+ ATOM 45 N ALA A 6 108.794 136.870 20.840 1.00 0.00 N
47
+ ATOM 46 CA ALA A 6 110.031 137.164 20.120 1.00 0.00 C
48
+ ATOM 47 C ALA A 6 111.136 137.591 21.081 1.00 0.00 C
49
+ ATOM 48 CB ALA A 6 109.793 138.248 19.072 1.00 0.00 C
50
+ ATOM 49 O ALA A 6 110.924 138.450 21.940 1.00 0.00 O
51
+ ATOM 50 N LEU A 7 112.347 136.968 20.919 1.00 0.00 N
52
+ ATOM 51 CA LEU A 7 113.507 137.268 21.752 1.00 0.00 C
53
+ ATOM 52 C LEU A 7 114.375 138.345 21.109 1.00 0.00 C
54
+ ATOM 53 CB LEU A 7 114.335 136.003 21.991 1.00 0.00 C
55
+ ATOM 54 O LEU A 7 115.117 139.045 21.801 1.00 0.00 O
56
+ ATOM 55 CG LEU A 7 113.667 134.898 22.810 1.00 0.00 C
57
+ ATOM 56 CD1 LEU A 7 114.519 133.635 22.791 1.00 0.00 C
58
+ ATOM 57 CD2 LEU A 7 113.424 135.365 24.241 1.00 0.00 C
59
+ ATOM 58 N PHE A 8 114.269 138.380 19.750 1.00 0.00 N
60
+ ATOM 59 CA PHE A 8 115.061 139.300 18.942 1.00 0.00 C
61
+ ATOM 60 C PHE A 8 114.218 139.907 17.827 1.00 0.00 C
62
+ ATOM 61 CB PHE A 8 116.278 138.583 18.348 1.00 0.00 C
63
+ ATOM 62 O PHE A 8 113.174 139.360 17.463 1.00 0.00 O
64
+ ATOM 63 CG PHE A 8 117.136 137.891 19.374 1.00 0.00 C
65
+ ATOM 64 CD1 PHE A 8 117.978 138.620 20.204 1.00 0.00 C
66
+ ATOM 65 CD2 PHE A 8 117.097 136.509 19.507 1.00 0.00 C
67
+ ATOM 66 CE1 PHE A 8 118.772 137.981 21.153 1.00 0.00 C
68
+ ATOM 67 CE2 PHE A 8 117.887 135.864 20.455 1.00 0.00 C
69
+ ATOM 68 CZ PHE A 8 118.724 136.602 21.276 1.00 0.00 C
70
+ ATOM 69 N ASP A 9 114.650 141.016 17.360 1.00 0.00 N
71
+ ATOM 70 CA ASP A 9 114.107 141.495 16.093 1.00 0.00 C
72
+ ATOM 71 C ASP A 9 114.454 140.543 14.951 1.00 0.00 C
73
+ ATOM 72 CB ASP A 9 114.629 142.901 15.784 1.00 0.00 C
74
+ ATOM 73 O ASP A 9 115.539 139.959 14.930 1.00 0.00 O
75
+ ATOM 74 CG ASP A 9 114.083 143.957 16.728 1.00 0.00 C
76
+ ATOM 75 OD1 ASP A 9 113.190 143.643 17.544 1.00 0.00 O
77
+ ATOM 76 OD2 ASP A 9 114.548 145.115 16.653 1.00 0.00 O
78
+ ATOM 77 N PHE A 10 113.504 140.447 14.071 1.00 0.00 N
79
+ ATOM 78 CA PHE A 10 113.719 139.711 12.830 1.00 0.00 C
80
+ ATOM 79 C PHE A 10 113.117 140.458 11.647 1.00 0.00 C
81
+ ATOM 80 CB PHE A 10 113.117 138.306 12.927 1.00 0.00 C
82
+ ATOM 81 O PHE A 10 111.902 140.665 11.590 1.00 0.00 O
83
+ ATOM 82 CG PHE A 10 113.284 137.487 11.675 1.00 0.00 C
84
+ ATOM 83 CD1 PHE A 10 114.549 137.158 11.206 1.00 0.00 C
85
+ ATOM 84 CD2 PHE A 10 112.173 137.046 10.966 1.00 0.00 C
86
+ ATOM 85 CE1 PHE A 10 114.707 136.401 10.047 1.00 0.00 C
87
+ ATOM 86 CE2 PHE A 10 112.322 136.289 9.808 1.00 0.00 C
88
+ ATOM 87 CZ PHE A 10 113.590 135.968 9.349 1.00 0.00 C
89
+ ATOM 88 N ASN A 11 113.983 140.859 10.641 1.00 0.00 N
90
+ ATOM 89 CA ASN A 11 113.525 141.710 9.548 1.00 0.00 C
91
+ ATOM 90 C ASN A 11 113.071 140.884 8.347 1.00 0.00 C
92
+ ATOM 91 CB ASN A 11 114.623 142.691 9.133 1.00 0.00 C
93
+ ATOM 92 O ASN A 11 112.512 141.424 7.392 1.00 0.00 O
94
+ ATOM 93 CG ASN A 11 114.905 143.736 10.196 1.00 0.00 C
95
+ ATOM 94 ND2 ASN A 11 116.165 144.134 10.316 1.00 0.00 N
96
+ ATOM 95 OD1 ASN A 11 113.997 144.179 10.903 1.00 0.00 O
97
+ ATOM 96 N GLY A 12 113.323 139.520 8.472 1.00 0.00 N
98
+ ATOM 97 CA GLY A 12 113.067 138.678 7.315 1.00 0.00 C
99
+ ATOM 98 C GLY A 12 114.224 138.646 6.334 1.00 0.00 C
100
+ ATOM 99 O GLY A 12 115.015 139.589 6.268 1.00 0.00 O
101
+ ATOM 100 N ASN A 13 114.398 137.516 5.590 1.00 0.00 N
102
+ ATOM 101 CA ASN A 13 115.427 137.308 4.577 1.00 0.00 C
103
+ ATOM 102 C ASN A 13 114.821 137.157 3.185 1.00 0.00 C
104
+ ATOM 103 CB ASN A 13 116.280 136.085 4.921 1.00 0.00 C
105
+ ATOM 104 O ASN A 13 115.514 137.326 2.179 1.00 0.00 O
106
+ ATOM 105 CG ASN A 13 117.053 136.257 6.214 1.00 0.00 C
107
+ ATOM 106 ND2 ASN A 13 117.251 135.161 6.937 1.00 0.00 N
108
+ ATOM 107 OD1 ASN A 13 117.469 137.366 6.560 1.00 0.00 O
109
+ ATOM 108 N ASP A 14 113.586 136.808 3.122 1.00 0.00 N
110
+ ATOM 109 CA ASP A 14 112.830 136.670 1.881 1.00 0.00 C
111
+ ATOM 110 C ASP A 14 111.348 136.964 2.103 1.00 0.00 C
112
+ ATOM 111 CB ASP A 14 113.005 135.266 1.299 1.00 0.00 C
113
+ ATOM 112 O ASP A 14 110.908 137.134 3.243 1.00 0.00 O
114
+ ATOM 113 CG ASP A 14 112.490 134.174 2.220 1.00 0.00 C
115
+ ATOM 114 OD1 ASP A 14 111.546 134.427 2.999 1.00 0.00 O
116
+ ATOM 115 OD2 ASP A 14 113.035 133.050 2.169 1.00 0.00 O
117
+ ATOM 116 N GLU A 15 110.704 137.041 0.990 1.00 0.00 N
118
+ ATOM 117 CA GLU A 15 109.302 137.451 1.001 1.00 0.00 C
119
+ ATOM 118 C GLU A 15 108.456 136.503 1.846 1.00 0.00 C
120
+ ATOM 119 CB GLU A 15 108.750 137.517 -0.426 1.00 0.00 C
121
+ ATOM 120 O GLU A 15 107.388 136.880 2.331 1.00 0.00 O
122
+ ATOM 121 CG GLU A 15 109.298 138.678 -1.243 1.00 0.00 C
123
+ ATOM 122 CD GLU A 15 108.635 138.818 -2.604 1.00 0.00 C
124
+ ATOM 123 OE1 GLU A 15 107.761 137.989 -2.942 1.00 0.00 O
125
+ ATOM 124 OE2 GLU A 15 108.995 139.764 -3.340 1.00 0.00 O
126
+ ATOM 125 N GLU A 16 108.857 135.293 2.116 1.00 0.00 N
127
+ ATOM 126 CA GLU A 16 108.059 134.309 2.841 1.00 0.00 C
128
+ ATOM 127 C GLU A 16 108.201 134.488 4.350 1.00 0.00 C
129
+ ATOM 128 CB GLU A 16 108.463 132.888 2.440 1.00 0.00 C
130
+ ATOM 129 O GLU A 16 107.455 133.884 5.125 1.00 0.00 O
131
+ ATOM 130 CG GLU A 16 108.140 132.544 0.992 1.00 0.00 C
132
+ ATOM 131 CD GLU A 16 108.526 131.122 0.614 1.00 0.00 C
133
+ ATOM 132 OE1 GLU A 16 109.035 130.379 1.484 1.00 0.00 O
134
+ ATOM 133 OE2 GLU A 16 108.321 130.749 -0.563 1.00 0.00 O
135
+ ATOM 134 N ASP A 17 109.120 135.317 4.771 1.00 0.00 N
136
+ ATOM 135 CA ASP A 17 109.388 135.499 6.195 1.00 0.00 C
137
+ ATOM 136 C ASP A 17 108.404 136.486 6.818 1.00 0.00 C
138
+ ATOM 137 CB ASP A 17 110.824 135.978 6.414 1.00 0.00 C
139
+ ATOM 138 O ASP A 17 107.925 137.401 6.145 1.00 0.00 O
140
+ ATOM 139 CG ASP A 17 111.861 134.931 6.047 1.00 0.00 C
141
+ ATOM 140 OD1 ASP A 17 111.506 133.739 5.919 1.00 0.00 O
142
+ ATOM 141 OD2 ASP A 17 113.045 135.300 5.887 1.00 0.00 O
143
+ ATOM 142 N LEU A 18 108.053 136.285 7.982 1.00 0.00 N
144
+ ATOM 143 CA LEU A 18 107.301 137.229 8.802 1.00 0.00 C
145
+ ATOM 144 C LEU A 18 108.237 138.061 9.671 1.00 0.00 C
146
+ ATOM 145 CB LEU A 18 106.292 136.487 9.683 1.00 0.00 C
147
+ ATOM 146 O LEU A 18 108.866 137.536 10.593 1.00 0.00 O
148
+ ATOM 147 CG LEU A 18 105.400 137.356 10.571 1.00 0.00 C
149
+ ATOM 148 CD1 LEU A 18 104.490 138.231 9.714 1.00 0.00 C
150
+ ATOM 149 CD2 LEU A 18 104.580 136.488 11.518 1.00 0.00 C
151
+ ATOM 150 N PRO A 19 108.392 139.345 9.331 1.00 0.00 N
152
+ ATOM 151 CA PRO A 19 109.174 140.195 10.233 1.00 0.00 C
153
+ ATOM 152 C PRO A 19 108.482 140.428 11.574 1.00 0.00 C
154
+ ATOM 153 CB PRO A 19 109.308 141.505 9.453 1.00 0.00 C
155
+ ATOM 154 O PRO A 19 107.250 140.458 11.640 1.00 0.00 O
156
+ ATOM 155 CG PRO A 19 108.975 141.146 8.041 1.00 0.00 C
157
+ ATOM 156 CD PRO A 19 108.052 139.961 8.056 1.00 0.00 C
158
+ ATOM 157 N PHE A 20 109.252 140.594 12.571 1.00 0.00 N
159
+ ATOM 158 CA PHE A 20 108.719 140.905 13.893 1.00 0.00 C
160
+ ATOM 159 C PHE A 20 109.756 141.634 14.739 1.00 0.00 C
161
+ ATOM 160 CB PHE A 20 108.266 139.626 14.605 1.00 0.00 C
162
+ ATOM 161 O PHE A 20 110.933 141.683 14.378 1.00 0.00 O
163
+ ATOM 162 CG PHE A 20 109.340 138.578 14.713 1.00 0.00 C
164
+ ATOM 163 CD1 PHE A 20 109.402 137.529 13.804 1.00 0.00 C
165
+ ATOM 164 CD2 PHE A 20 110.290 138.643 15.724 1.00 0.00 C
166
+ ATOM 165 CE1 PHE A 20 110.395 136.557 13.902 1.00 0.00 C
167
+ ATOM 166 CE2 PHE A 20 111.286 137.676 15.828 1.00 0.00 C
168
+ ATOM 167 CZ PHE A 20 111.337 136.634 14.918 1.00 0.00 C
169
+ ATOM 168 N LYS A 21 109.287 142.236 15.893 1.00 0.00 N
170
+ ATOM 169 CA LYS A 21 110.130 142.941 16.853 1.00 0.00 C
171
+ ATOM 170 C LYS A 21 110.246 142.162 18.159 1.00 0.00 C
172
+ ATOM 171 CB LYS A 21 109.578 144.341 17.126 1.00 0.00 C
173
+ ATOM 172 O LYS A 21 109.340 141.409 18.522 1.00 0.00 O
174
+ ATOM 173 CG LYS A 21 109.477 145.218 15.886 1.00 0.00 C
175
+ ATOM 174 CD LYS A 21 110.851 145.527 15.306 1.00 0.00 C
176
+ ATOM 175 CE LYS A 21 110.773 146.582 14.210 1.00 0.00 C
177
+ ATOM 176 NZ LYS A 21 112.113 146.862 13.615 1.00 0.00 N
178
+ ATOM 177 N LYS A 22 111.346 142.422 18.817 1.00 0.00 N
179
+ ATOM 178 CA LYS A 22 111.479 141.829 20.144 1.00 0.00 C
180
+ ATOM 179 C LYS A 22 110.248 142.112 21.000 1.00 0.00 C
181
+ ATOM 180 CB LYS A 22 112.734 142.355 20.843 1.00 0.00 C
182
+ ATOM 181 O LYS A 22 109.783 143.251 21.071 1.00 0.00 O
183
+ ATOM 182 CG LYS A 22 112.980 141.744 22.215 1.00 0.00 C
184
+ ATOM 183 CD LYS A 22 114.228 142.323 22.869 1.00 0.00 C
185
+ ATOM 184 CE LYS A 22 114.447 141.752 24.263 1.00 0.00 C
186
+ ATOM 185 NZ LYS A 22 115.674 142.311 24.906 1.00 0.00 N
187
+ ATOM 186 N GLY A 23 109.727 141.063 21.562 1.00 0.00 N
188
+ ATOM 187 CA GLY A 23 108.588 141.228 22.451 1.00 0.00 C
189
+ ATOM 188 C GLY A 23 107.259 140.933 21.781 1.00 0.00 C
190
+ ATOM 189 O GLY A 23 106.245 140.749 22.456 1.00 0.00 O
191
+ ATOM 190 N ASP A 24 107.235 140.967 20.441 1.00 0.00 N
192
+ ATOM 191 CA ASP A 24 106.007 140.610 19.739 1.00 0.00 C
193
+ ATOM 192 C ASP A 24 105.538 139.210 20.130 1.00 0.00 C
194
+ ATOM 193 CB ASP A 24 106.209 140.694 18.225 1.00 0.00 C
195
+ ATOM 194 O ASP A 24 106.356 138.314 20.348 1.00 0.00 O
196
+ ATOM 195 CG ASP A 24 106.201 142.120 17.704 1.00 0.00 C
197
+ ATOM 196 OD1 ASP A 24 106.015 143.061 18.505 1.00 0.00 O
198
+ ATOM 197 OD2 ASP A 24 106.378 142.304 16.480 1.00 0.00 O
199
+ ATOM 198 N ILE A 25 104.315 139.022 20.306 1.00 0.00 N
200
+ ATOM 199 CA ILE A 25 103.687 137.721 20.512 1.00 0.00 C
201
+ ATOM 200 C ILE A 25 103.151 137.190 19.185 1.00 0.00 C
202
+ ATOM 201 CB ILE A 25 102.550 137.803 21.555 1.00 0.00 C
203
+ ATOM 202 O ILE A 25 102.404 137.882 18.488 1.00 0.00 O
204
+ ATOM 203 CG1 ILE A 25 103.065 138.420 22.861 1.00 0.00 C
205
+ ATOM 204 CG2 ILE A 25 101.946 136.418 21.806 1.00 0.00 C
206
+ ATOM 205 CD1 ILE A 25 104.218 137.655 23.494 1.00 0.00 C
207
+ ATOM 206 N LEU A 26 103.472 136.004 18.817 1.00 0.00 N
208
+ ATOM 207 CA LEU A 26 103.098 135.376 17.555 1.00 0.00 C
209
+ ATOM 208 C LEU A 26 102.323 134.086 17.799 1.00 0.00 C
210
+ ATOM 209 CB LEU A 26 104.342 135.085 16.712 1.00 0.00 C
211
+ ATOM 210 O LEU A 26 102.643 133.327 18.716 1.00 0.00 O
212
+ ATOM 211 CG LEU A 26 105.252 136.278 16.413 1.00 0.00 C
213
+ ATOM 212 CD1 LEU A 26 106.586 135.799 15.848 1.00 0.00 C
214
+ ATOM 213 CD2 LEU A 26 104.571 137.241 15.447 1.00 0.00 C
215
+ ATOM 214 N ARG A 27 101.364 133.776 17.005 1.00 0.00 N
216
+ ATOM 215 CA ARG A 27 100.663 132.496 17.000 1.00 0.00 C
217
+ ATOM 216 C ARG A 27 101.311 131.521 16.022 1.00 0.00 C
218
+ ATOM 217 CB ARG A 27 99.187 132.691 16.644 1.00 0.00 C
219
+ ATOM 218 O ARG A 27 101.516 131.851 14.852 1.00 0.00 O
220
+ ATOM 219 CG ARG A 27 98.363 131.415 16.713 1.00 0.00 C
221
+ ATOM 220 CD ARG A 27 96.898 131.673 16.388 1.00 0.00 C
222
+ ATOM 221 NE ARG A 27 96.163 130.426 16.195 1.00 0.00 N
223
+ ATOM 222 NH1 ARG A 27 94.104 131.313 16.755 1.00 0.00 N
224
+ ATOM 223 NH2 ARG A 27 94.285 129.105 16.170 1.00 0.00 N
225
+ ATOM 224 CZ ARG A 27 94.852 130.284 16.373 1.00 0.00 C
226
+ ATOM 225 N ILE A 28 101.557 130.334 16.468 1.00 0.00 N
227
+ ATOM 226 CA ILE A 28 102.135 129.309 15.604 1.00 0.00 C
228
+ ATOM 227 C ILE A 28 101.023 128.585 14.850 1.00 0.00 C
229
+ ATOM 228 CB ILE A 28 102.982 128.300 16.412 1.00 0.00 C
230
+ ATOM 229 O ILE A 28 100.084 128.068 15.459 1.00 0.00 O
231
+ ATOM 230 CG1 ILE A 28 104.087 129.028 17.185 1.00 0.00 C
232
+ ATOM 231 CG2 ILE A 28 103.572 127.230 15.489 1.00 0.00 C
233
+ ATOM 232 CD1 ILE A 28 105.015 129.854 16.306 1.00 0.00 C
234
+ ATOM 233 N ARG A 29 101.182 128.466 13.502 1.00 0.00 N
235
+ ATOM 234 CA ARG A 29 100.169 127.866 12.641 1.00 0.00 C
236
+ ATOM 235 C ARG A 29 100.563 126.451 12.234 1.00 0.00 C
237
+ ATOM 236 CB ARG A 29 99.945 128.727 11.394 1.00 0.00 C
238
+ ATOM 237 O ARG A 29 99.706 125.571 12.120 1.00 0.00 O
239
+ ATOM 238 CG ARG A 29 99.468 130.138 11.698 1.00 0.00 C
240
+ ATOM 239 CD ARG A 29 98.023 130.154 12.175 1.00 0.00 C
241
+ ATOM 240 NE ARG A 29 97.907 129.705 13.560 1.00 0.00 N
242
+ ATOM 241 NH1 ARG A 29 95.602 129.847 13.631 1.00 0.00 N
243
+ ATOM 242 NH2 ARG A 29 96.770 129.153 15.477 1.00 0.00 N
244
+ ATOM 243 CZ ARG A 29 96.759 129.570 14.219 1.00 0.00 C
245
+ ATOM 244 N ASP A 30 101.875 126.208 12.064 1.00 0.00 N
246
+ ATOM 245 CA ASP A 30 102.412 124.877 11.799 1.00 0.00 C
247
+ ATOM 246 C ASP A 30 103.937 124.875 11.876 1.00 0.00 C
248
+ ATOM 247 CB ASP A 30 101.954 124.377 10.427 1.00 0.00 C
249
+ ATOM 248 O ASP A 30 104.564 125.936 11.913 1.00 0.00 O
250
+ ATOM 249 CG ASP A 30 102.333 125.317 9.296 1.00 0.00 C
251
+ ATOM 250 OD1 ASP A 30 103.525 125.674 9.173 1.00 0.00 O
252
+ ATOM 251 OD2 ASP A 30 101.432 125.709 8.525 1.00 0.00 O
253
+ ATOM 252 N LYS A 31 104.549 123.739 11.966 1.00 0.00 N
254
+ ATOM 253 CA LYS A 31 105.980 123.523 12.161 1.00 0.00 C
255
+ ATOM 254 C LYS A 31 106.553 122.620 11.073 1.00 0.00 C
256
+ ATOM 255 CB LYS A 31 106.249 122.919 13.540 1.00 0.00 C
257
+ ATOM 256 O LYS A 31 106.979 121.497 11.352 1.00 0.00 O
258
+ ATOM 257 CG LYS A 31 105.634 123.701 14.690 1.00 0.00 C
259
+ ATOM 258 CD LYS A 31 105.961 123.068 16.037 1.00 0.00 C
260
+ ATOM 259 CE LYS A 31 105.263 123.791 17.180 1.00 0.00 C
261
+ ATOM 260 NZ LYS A 31 105.696 123.270 18.512 1.00 0.00 N
262
+ ATOM 261 N PRO A 32 106.577 123.121 9.774 1.00 0.00 N
263
+ ATOM 262 CA PRO A 32 106.976 122.268 8.652 1.00 0.00 C
264
+ ATOM 263 C PRO A 32 108.443 121.851 8.722 1.00 0.00 C
265
+ ATOM 264 CB PRO A 32 106.718 123.152 7.429 1.00 0.00 C
266
+ ATOM 265 O PRO A 32 108.823 120.822 8.158 1.00 0.00 O
267
+ ATOM 266 CG PRO A 32 106.820 124.553 7.940 1.00 0.00 C
268
+ ATOM 267 CD PRO A 32 106.281 124.590 9.341 1.00 0.00 C
269
+ ATOM 268 N GLU A 33 109.278 122.742 9.340 1.00 0.00 N
270
+ ATOM 269 CA GLU A 33 110.706 122.468 9.472 1.00 0.00 C
271
+ ATOM 270 C GLU A 33 111.176 122.672 10.911 1.00 0.00 C
272
+ ATOM 271 CB GLU A 33 111.515 123.357 8.525 1.00 0.00 C
273
+ ATOM 272 O GLU A 33 110.545 123.401 11.678 1.00 0.00 O
274
+ ATOM 273 CG GLU A 33 111.182 123.150 7.055 1.00 0.00 C
275
+ ATOM 274 CD GLU A 33 111.946 124.083 6.129 1.00 0.00 C
276
+ ATOM 275 OE1 GLU A 33 113.126 124.390 6.415 1.00 0.00 O
277
+ ATOM 276 OE2 GLU A 33 111.360 124.513 5.110 1.00 0.00 O
278
+ ATOM 277 N GLU A 34 112.210 122.126 11.122 1.00 0.00 N
279
+ ATOM 278 CA GLU A 34 112.758 122.115 12.475 1.00 0.00 C
280
+ ATOM 279 C GLU A 34 113.151 123.521 12.922 1.00 0.00 C
281
+ ATOM 280 CB GLU A 34 113.966 121.180 12.558 1.00 0.00 C
282
+ ATOM 281 O GLU A 34 112.980 123.877 14.090 1.00 0.00 O
283
+ ATOM 282 CG GLU A 34 114.466 120.946 13.977 1.00 0.00 C
284
+ ATOM 283 CD GLU A 34 115.621 119.959 14.051 1.00 0.00 C
285
+ ATOM 284 OE1 GLU A 34 116.051 119.447 12.992 1.00 0.00 O
286
+ ATOM 285 OE2 GLU A 34 116.099 119.696 15.177 1.00 0.00 O
287
+ ATOM 286 N GLN A 35 113.719 124.339 12.016 1.00 0.00 N
288
+ ATOM 287 CA GLN A 35 114.284 125.619 12.428 1.00 0.00 C
289
+ ATOM 288 C GLN A 35 113.406 126.780 11.969 1.00 0.00 C
290
+ ATOM 289 CB GLN A 35 115.702 125.783 11.877 1.00 0.00 C
291
+ ATOM 290 O GLN A 35 113.708 127.942 12.252 1.00 0.00 O
292
+ ATOM 291 CG GLN A 35 116.698 124.777 12.436 1.00 0.00 C
293
+ ATOM 292 CD GLN A 35 116.969 124.977 13.915 1.00 0.00 C
294
+ ATOM 293 NE2 GLN A 35 116.897 123.895 14.683 1.00 0.00 N
295
+ ATOM 294 OE1 GLN A 35 117.242 126.095 14.364 1.00 0.00 O
296
+ ATOM 295 N TRP A 36 112.347 126.426 11.300 1.00 0.00 N
297
+ ATOM 296 CA TRP A 36 111.459 127.445 10.747 1.00 0.00 C
298
+ ATOM 297 C TRP A 36 109.998 127.070 10.966 1.00 0.00 C
299
+ ATOM 298 CB TRP A 36 111.731 127.640 9.252 1.00 0.00 C
300
+ ATOM 299 O TRP A 36 109.571 125.971 10.606 1.00 0.00 O
301
+ ATOM 300 CG TRP A 36 113.064 128.256 8.950 1.00 0.00 C
302
+ ATOM 301 CD1 TRP A 36 114.225 127.600 8.647 1.00 0.00 C
303
+ ATOM 302 CD2 TRP A 36 113.375 129.652 8.928 1.00 0.00 C
304
+ ATOM 303 CE2 TRP A 36 114.744 129.771 8.603 1.00 0.00 C
305
+ ATOM 304 CE3 TRP A 36 112.627 130.816 9.151 1.00 0.00 C
306
+ ATOM 305 NE1 TRP A 36 115.239 128.505 8.437 1.00 0.00 N
307
+ ATOM 306 CH2 TRP A 36 114.626 132.132 8.718 1.00 0.00 C
308
+ ATOM 307 CZ2 TRP A 36 115.381 131.009 8.495 1.00 0.00 C
309
+ ATOM 308 CZ3 TRP A 36 113.262 132.048 9.043 1.00 0.00 C
310
+ ATOM 309 N TRP A 37 109.245 127.871 11.507 1.00 0.00 N
311
+ ATOM 310 CA TRP A 37 107.830 127.629 11.766 1.00 0.00 C
312
+ ATOM 311 C TRP A 37 106.960 128.646 11.034 1.00 0.00 C
313
+ ATOM 312 CB TRP A 37 107.541 127.679 13.269 1.00 0.00 C
314
+ ATOM 313 O TRP A 37 107.405 129.760 10.748 1.00 0.00 O
315
+ ATOM 314 CG TRP A 37 108.119 126.529 14.039 1.00 0.00 C
316
+ ATOM 315 CD1 TRP A 37 108.534 125.327 13.537 1.00 0.00 C
317
+ ATOM 316 CD2 TRP A 37 108.341 126.473 15.451 1.00 0.00 C
318
+ ATOM 317 CE2 TRP A 37 108.894 125.205 15.736 1.00 0.00 C
319
+ ATOM 318 CE3 TRP A 37 108.126 127.372 16.504 1.00 0.00 C
320
+ ATOM 319 NE1 TRP A 37 109.002 124.526 14.552 1.00 0.00 N
321
+ ATOM 320 CH2 TRP A 37 109.016 125.714 18.044 1.00 0.00 C
322
+ ATOM 321 CZ2 TRP A 37 109.237 124.814 17.033 1.00 0.00 C
323
+ ATOM 322 CZ3 TRP A 37 108.468 126.982 17.793 1.00 0.00 C
324
+ ATOM 323 N ASN A 38 105.759 128.243 10.721 1.00 0.00 N
325
+ ATOM 324 CA ASN A 38 104.749 129.178 10.236 1.00 0.00 C
326
+ ATOM 325 C ASN A 38 104.028 129.872 11.389 1.00 0.00 C
327
+ ATOM 326 CB ASN A 38 103.742 128.461 9.335 1.00 0.00 C
328
+ ATOM 327 O ASN A 38 103.515 129.210 12.293 1.00 0.00 O
329
+ ATOM 328 CG ASN A 38 104.207 128.372 7.894 1.00 0.00 C
330
+ ATOM 329 ND2 ASN A 38 104.029 127.206 7.285 1.00 0.00 N
331
+ ATOM 330 OD1 ASN A 38 104.722 129.344 7.335 1.00 0.00 O
332
+ ATOM 331 N ALA A 39 103.926 131.185 11.278 1.00 0.00 N
333
+ ATOM 332 CA ALA A 39 103.337 131.942 12.379 1.00 0.00 C
334
+ ATOM 333 C ALA A 39 102.451 133.070 11.859 1.00 0.00 C
335
+ ATOM 334 CB ALA A 39 104.431 132.503 13.284 1.00 0.00 C
336
+ ATOM 335 O ALA A 39 102.438 133.353 10.659 1.00 0.00 O
337
+ ATOM 336 N GLU A 40 101.710 133.654 12.775 1.00 0.00 N
338
+ ATOM 337 CA GLU A 40 100.827 134.792 12.538 1.00 0.00 C
339
+ ATOM 338 C GLU A 40 100.995 135.856 13.619 1.00 0.00 C
340
+ ATOM 339 CB GLU A 40 99.368 134.336 12.471 1.00 0.00 C
341
+ ATOM 340 O GLU A 40 101.029 135.538 14.810 1.00 0.00 O
342
+ ATOM 341 CG GLU A 40 98.393 135.445 12.103 1.00 0.00 C
343
+ ATOM 342 CD GLU A 40 96.949 134.974 12.029 1.00 0.00 C
344
+ ATOM 343 OE1 GLU A 40 96.682 133.787 12.324 1.00 0.00 O
345
+ ATOM 344 OE2 GLU A 40 96.078 135.799 11.673 1.00 0.00 O
346
+ ATOM 345 N ASP A 41 101.098 137.172 13.203 1.00 0.00 N
347
+ ATOM 346 CA ASP A 41 101.232 138.243 14.185 1.00 0.00 C
348
+ ATOM 347 C ASP A 41 99.870 138.834 14.542 1.00 0.00 C
349
+ ATOM 348 CB ASP A 41 102.159 139.340 13.658 1.00 0.00 C
350
+ ATOM 349 O ASP A 41 98.835 138.332 14.101 1.00 0.00 O
351
+ ATOM 350 CG ASP A 41 101.592 140.069 12.453 1.00 0.00 C
352
+ ATOM 351 OD1 ASP A 41 100.365 140.006 12.224 1.00 0.00 O
353
+ ATOM 352 OD2 ASP A 41 102.380 140.708 11.722 1.00 0.00 O
354
+ ATOM 353 N SER A 42 99.809 139.861 15.431 1.00 0.00 N
355
+ ATOM 354 CA SER A 42 98.580 140.435 15.971 1.00 0.00 C
356
+ ATOM 355 C SER A 42 97.775 141.138 14.884 1.00 0.00 C
357
+ ATOM 356 CB SER A 42 98.899 141.418 17.099 1.00 0.00 C
358
+ ATOM 357 O SER A 42 96.576 141.378 15.050 1.00 0.00 O
359
+ ATOM 358 OG SER A 42 99.730 142.466 16.632 1.00 0.00 O
360
+ ATOM 359 N GLU A 43 98.420 141.443 13.710 1.00 0.00 N
361
+ ATOM 360 CA GLU A 43 97.743 142.109 12.600 1.00 0.00 C
362
+ ATOM 361 C GLU A 43 97.223 141.096 11.585 1.00 0.00 C
363
+ ATOM 362 CB GLU A 43 98.684 143.104 11.916 1.00 0.00 C
364
+ ATOM 363 O GLU A 43 96.622 141.472 10.576 1.00 0.00 O
365
+ ATOM 364 CG GLU A 43 99.137 144.243 12.817 1.00 0.00 C
366
+ ATOM 365 CD GLU A 43 100.041 145.243 12.114 1.00 0.00 C
367
+ ATOM 366 OE1 GLU A 43 100.508 144.951 10.989 1.00 0.00 O
368
+ ATOM 367 OE2 GLU A 43 100.285 146.325 12.691 1.00 0.00 O
369
+ ATOM 368 N GLY A 44 97.516 139.805 11.817 1.00 0.00 N
370
+ ATOM 369 CA GLY A 44 97.024 138.764 10.929 1.00 0.00 C
371
+ ATOM 370 C GLY A 44 97.988 138.433 9.806 1.00 0.00 C
372
+ ATOM 371 O GLY A 44 97.667 137.640 8.919 1.00 0.00 O
373
+ ATOM 372 N LYS A 45 99.189 139.113 9.731 1.00 0.00 N
374
+ ATOM 373 CA LYS A 45 100.208 138.758 8.747 1.00 0.00 C
375
+ ATOM 374 C LYS A 45 100.842 137.410 9.075 1.00 0.00 C
376
+ ATOM 375 CB LYS A 45 101.287 139.841 8.677 1.00 0.00 C
377
+ ATOM 376 O LYS A 45 101.100 137.105 10.241 1.00 0.00 O
378
+ ATOM 377 CG LYS A 45 100.776 141.193 8.202 1.00 0.00 C
379
+ ATOM 378 CD LYS A 45 101.905 142.210 8.095 1.00 0.00 C
380
+ ATOM 379 CE LYS A 45 101.392 143.569 7.639 1.00 0.00 C
381
+ ATOM 380 NZ LYS A 45 102.483 144.589 7.603 1.00 0.00 N
382
+ ATOM 381 N ARG A 46 101.073 136.595 7.983 1.00 0.00 N
383
+ ATOM 382 CA ARG A 46 101.588 135.237 8.126 1.00 0.00 C
384
+ ATOM 383 C ARG A 46 102.926 135.081 7.410 1.00 0.00 C
385
+ ATOM 384 CB ARG A 46 100.581 134.220 7.586 1.00 0.00 C
386
+ ATOM 385 O ARG A 46 103.157 135.705 6.372 1.00 0.00 O
387
+ ATOM 386 CG ARG A 46 99.265 134.192 8.346 1.00 0.00 C
388
+ ATOM 387 CD ARG A 46 98.297 133.173 7.760 1.00 0.00 C
389
+ ATOM 388 NE ARG A 46 97.017 133.181 8.462 1.00 0.00 N
390
+ ATOM 389 NH1 ARG A 46 96.102 131.447 7.240 1.00 0.00 N
391
+ ATOM 390 NH2 ARG A 46 94.883 132.453 8.900 1.00 0.00 N
392
+ ATOM 391 CZ ARG A 46 96.003 132.360 8.199 1.00 0.00 C
393
+ ATOM 392 N GLY A 47 103.731 134.240 7.928 1.00 0.00 N
394
+ ATOM 393 CA GLY A 47 105.003 133.905 7.308 1.00 0.00 C
395
+ ATOM 394 C GLY A 47 105.868 133.006 8.171 1.00 0.00 C
396
+ ATOM 395 O GLY A 47 105.449 132.581 9.250 1.00 0.00 O
397
+ ATOM 396 N MET A 48 107.039 132.717 7.742 1.00 0.00 N
398
+ ATOM 397 CA MET A 48 108.000 131.874 8.447 1.00 0.00 C
399
+ ATOM 398 C MET A 48 108.801 132.690 9.457 1.00 0.00 C
400
+ ATOM 399 CB MET A 48 108.945 131.192 7.458 1.00 0.00 C
401
+ ATOM 400 O MET A 48 109.144 133.844 9.194 1.00 0.00 O
402
+ ATOM 401 CG MET A 48 108.236 130.337 6.421 1.00 0.00 C
403
+ ATOM 402 SD MET A 48 107.370 128.901 7.167 1.00 0.00 S
404
+ ATOM 403 CE MET A 48 108.773 127.778 7.420 1.00 0.00 C
405
+ ATOM 404 N ILE A 49 109.175 132.003 10.533 1.00 0.00 N
406
+ ATOM 405 CA ILE A 49 110.009 132.627 11.555 1.00 0.00 C
407
+ ATOM 406 C ILE A 49 111.111 131.660 11.982 1.00 0.00 C
408
+ ATOM 407 CB ILE A 49 109.172 133.062 12.779 1.00 0.00 C
409
+ ATOM 408 O ILE A 49 110.913 130.443 11.981 1.00 0.00 O
410
+ ATOM 409 CG1 ILE A 49 108.502 131.845 13.427 1.00 0.00 C
411
+ ATOM 410 CG2 ILE A 49 108.132 134.110 12.377 1.00 0.00 C
412
+ ATOM 411 CD1 ILE A 49 107.944 132.113 14.818 1.00 0.00 C
413
+ ATOM 412 N PRO A 50 112.231 132.197 12.312 1.00 0.00 N
414
+ ATOM 413 CA PRO A 50 113.288 131.347 12.865 1.00 0.00 C
415
+ ATOM 414 C PRO A 50 113.006 130.914 14.301 1.00 0.00 C
416
+ ATOM 415 CB PRO A 50 114.529 132.240 12.797 1.00 0.00 C
417
+ ATOM 416 O PRO A 50 112.857 131.760 15.187 1.00 0.00 O
418
+ ATOM 417 CG PRO A 50 114.000 133.636 12.871 1.00 0.00 C
419
+ ATOM 418 CD PRO A 50 112.625 133.657 12.269 1.00 0.00 C
420
+ ATOM 419 N VAL A 51 113.019 129.642 14.626 1.00 0.00 N
421
+ ATOM 420 CA VAL A 51 112.667 129.062 15.918 1.00 0.00 C
422
+ ATOM 421 C VAL A 51 113.605 129.595 16.997 1.00 0.00 C
423
+ ATOM 422 CB VAL A 51 112.719 127.518 15.881 1.00 0.00 C
424
+ ATOM 423 O VAL A 51 113.160 129.972 18.084 1.00 0.00 O
425
+ ATOM 424 CG1 VAL A 51 112.587 126.940 17.288 1.00 0.00 C
426
+ ATOM 425 CG2 VAL A 51 111.623 126.970 14.969 1.00 0.00 C
427
+ ATOM 426 N PRO A 52 114.951 129.785 16.665 1.00 0.00 N
428
+ ATOM 427 CA PRO A 52 115.841 130.247 17.733 1.00 0.00 C
429
+ ATOM 428 C PRO A 52 115.561 131.690 18.151 1.00 0.00 C
430
+ ATOM 429 CB PRO A 52 117.234 130.120 17.110 1.00 0.00 C
431
+ ATOM 430 O PRO A 52 116.130 132.173 19.134 1.00 0.00 O
432
+ ATOM 431 CG PRO A 52 117.073 129.111 16.019 1.00 0.00 C
433
+ ATOM 432 CD PRO A 52 115.691 129.242 15.448 1.00 0.00 C
434
+ ATOM 433 N TYR A 53 114.688 132.418 17.453 1.00 0.00 N
435
+ ATOM 434 CA TYR A 53 114.426 133.818 17.763 1.00 0.00 C
436
+ ATOM 435 C TYR A 53 113.207 133.958 18.667 1.00 0.00 C
437
+ ATOM 436 CB TYR A 53 114.217 134.624 16.477 1.00 0.00 C
438
+ ATOM 437 O TYR A 53 112.787 135.073 18.986 1.00 0.00 O
439
+ ATOM 438 CG TYR A 53 115.503 135.023 15.796 1.00 0.00 C
440
+ ATOM 439 CD1 TYR A 53 116.713 134.425 16.142 1.00 0.00 C
441
+ ATOM 440 CD2 TYR A 53 115.512 135.998 14.804 1.00 0.00 C
442
+ ATOM 441 CE1 TYR A 53 117.902 134.791 15.518 1.00 0.00 C
443
+ ATOM 442 CE2 TYR A 53 116.694 136.371 14.173 1.00 0.00 C
444
+ ATOM 443 OH TYR A 53 119.055 136.129 13.916 1.00 0.00 O
445
+ ATOM 444 CZ TYR A 53 117.881 135.763 14.536 1.00 0.00 C
446
+ ATOM 445 N VAL A 54 112.580 132.824 19.098 1.00 0.00 N
447
+ ATOM 446 CA VAL A 54 111.357 132.940 19.884 1.00 0.00 C
448
+ ATOM 447 C VAL A 54 111.415 131.984 21.074 1.00 0.00 C
449
+ ATOM 448 CB VAL A 54 110.103 132.650 19.029 1.00 0.00 C
450
+ ATOM 449 O VAL A 54 112.254 131.082 21.113 1.00 0.00 O
451
+ ATOM 450 CG1 VAL A 54 109.980 133.662 17.891 1.00 0.00 C
452
+ ATOM 451 CG2 VAL A 54 110.150 131.225 18.478 1.00 0.00 C
453
+ ATOM 452 N GLU A 55 110.591 132.166 22.020 1.00 0.00 N
454
+ ATOM 453 CA GLU A 55 110.393 131.282 23.165 1.00 0.00 C
455
+ ATOM 454 C GLU A 55 108.910 131.038 23.425 1.00 0.00 C
456
+ ATOM 455 CB GLU A 55 111.056 131.866 24.416 1.00 0.00 C
457
+ ATOM 456 O GLU A 55 108.064 131.840 23.022 1.00 0.00 O
458
+ ATOM 457 CG GLU A 55 110.444 133.179 24.881 1.00 0.00 C
459
+ ATOM 458 CD GLU A 55 111.049 133.699 26.176 1.00 0.00 C
460
+ ATOM 459 OE1 GLU A 55 111.936 133.023 26.744 1.00 0.00 O
461
+ ATOM 460 OE2 GLU A 55 110.633 134.790 26.623 1.00 0.00 O
462
+ ATOM 461 N LYS A 56 108.580 129.864 23.961 1.00 0.00 N
463
+ ATOM 462 CA LYS A 56 107.197 129.608 24.351 1.00 0.00 C
464
+ ATOM 463 C LYS A 56 106.655 130.736 25.227 1.00 0.00 C
465
+ ATOM 464 CB LYS A 56 107.084 128.273 25.089 1.00 0.00 C
466
+ ATOM 465 O LYS A 56 107.350 131.222 26.122 1.00 0.00 O
467
+ ATOM 466 CG LYS A 56 105.652 127.832 25.357 1.00 0.00 C
468
+ ATOM 467 CD LYS A 56 105.606 126.481 26.057 1.00 0.00 C
469
+ ATOM 468 CE LYS A 56 104.176 126.069 26.385 1.00 0.00 C
470
+ ATOM 469 NZ LYS A 56 104.122 124.725 27.034 1.00 0.00 N
471
+ ATOM 470 N TYR A 57 105.457 131.135 24.966 1.00 0.00 N
472
+ ATOM 471 CA TYR A 57 104.789 132.177 25.739 1.00 0.00 C
473
+ ATOM 472 C TYR A 57 103.761 131.576 26.689 1.00 0.00 C
474
+ ATOM 473 CB TYR A 57 104.114 133.188 24.809 1.00 0.00 C
475
+ ATOM 474 O TYR A 57 102.998 130.686 26.306 1.00 0.00 O
476
+ ATOM 475 CG TYR A 57 103.438 134.325 25.537 1.00 0.00 C
477
+ ATOM 476 CD1 TYR A 57 103.705 134.575 26.881 1.00 0.00 C
478
+ ATOM 477 CD2 TYR A 57 102.532 135.152 24.881 1.00 0.00 C
479
+ ATOM 478 CE1 TYR A 57 103.083 135.620 27.556 1.00 0.00 C
480
+ ATOM 479 CE2 TYR A 57 101.903 136.199 25.546 1.00 0.00 C
481
+ ATOM 480 OH TYR A 57 101.567 137.462 27.544 1.00 0.00 O
482
+ ATOM 481 CZ TYR A 57 102.186 136.426 26.880 1.00 0.00 C
483
+ ATOM 482 OXT TYR A 57 104.199 132.312 27.539 1.00 0.00 O
484
+ TER 483 TYR A 57
485
+ END
1ckb/1ckb_protein_processed_fix.pdb ADDED
@@ -0,0 +1,935 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 95.934 127.424 21.911 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 96.764 127.821 20.744 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 98.231 127.722 21.157 1.00 0.00 C
5
+ ATOM 4 O ALA A 1 98.534 127.662 22.357 1.00 0.00 O
6
+ ATOM 5 CB ALA A 1 96.432 129.238 20.343 1.00 0.00 C
7
+ ATOM 6 HA ALA A 1 96.590 127.240 19.987 1.00 0.00 H
8
+ ATOM 7 HB1 ALA A 1 96.975 129.495 19.581 1.00 0.00 H
9
+ ATOM 8 HB2 ALA A 1 95.494 129.296 20.105 1.00 0.00 H
10
+ ATOM 9 HB3 ALA A 1 96.614 129.836 21.085 1.00 0.00 H
11
+ ATOM 10 N GLU A 2 99.129 127.660 20.182 1.00 0.00 N
12
+ ATOM 11 CA GLU A 2 100.547 127.592 20.480 1.00 0.00 C
13
+ ATOM 12 C GLU A 2 101.093 128.983 20.227 1.00 0.00 C
14
+ ATOM 13 O GLU A 2 101.007 129.474 19.111 1.00 0.00 O
15
+ ATOM 14 CB GLU A 2 101.250 126.590 19.561 1.00 0.00 C
16
+ ATOM 15 CG GLU A 2 102.749 126.462 19.849 1.00 0.00 C
17
+ ATOM 16 CD GLU A 2 103.445 125.432 18.976 1.00 0.00 C
18
+ ATOM 17 OE1 GLU A 2 102.775 124.703 18.229 1.00 0.00 O
19
+ ATOM 18 OE2 GLU A 2 104.676 125.352 19.046 1.00 0.00 O
20
+ ATOM 19 H GLU A 2 98.936 127.656 19.344 1.00 0.00 H
21
+ ATOM 20 HA GLU A 2 100.695 127.301 21.393 1.00 0.00 H
22
+ ATOM 21 HB2 GLU A 2 100.832 125.720 19.659 1.00 0.00 H
23
+ ATOM 22 HB3 GLU A 2 101.125 126.862 18.638 1.00 0.00 H
24
+ ATOM 23 HG2 GLU A 2 103.172 127.325 19.718 1.00 0.00 H
25
+ ATOM 24 HG3 GLU A 2 102.873 126.223 20.781 1.00 0.00 H
26
+ ATOM 25 N TYR A 3 101.644 129.614 21.257 1.00 0.00 N
27
+ ATOM 26 CA TYR A 3 102.209 130.963 21.129 1.00 0.00 C
28
+ ATOM 27 C TYR A 3 103.664 130.984 21.535 1.00 0.00 C
29
+ ATOM 28 O TYR A 3 104.076 130.271 22.462 1.00 0.00 O
30
+ ATOM 29 CB TYR A 3 101.488 131.970 22.036 1.00 0.00 C
31
+ ATOM 30 CG TYR A 3 100.059 132.238 21.661 1.00 0.00 C
32
+ ATOM 31 CD1 TYR A 3 99.756 133.044 20.569 1.00 0.00 C
33
+ ATOM 32 CD2 TYR A 3 99.006 131.672 22.382 1.00 0.00 C
34
+ ATOM 33 CE1 TYR A 3 98.453 133.269 20.182 1.00 0.00 C
35
+ ATOM 34 CE2 TYR A 3 97.683 131.898 21.998 1.00 0.00 C
36
+ ATOM 35 CZ TYR A 3 97.426 132.705 20.887 1.00 0.00 C
37
+ ATOM 36 OH TYR A 3 96.148 132.905 20.433 1.00 0.00 O
38
+ ATOM 37 H TYR A 3 101.703 129.279 22.047 1.00 0.00 H
39
+ ATOM 38 HA TYR A 3 102.102 131.208 20.197 1.00 0.00 H
40
+ ATOM 39 HB2 TYR A 3 101.514 131.642 22.949 1.00 0.00 H
41
+ ATOM 40 HB3 TYR A 3 101.976 132.808 22.021 1.00 0.00 H
42
+ ATOM 41 HD1 TYR A 3 100.448 133.440 20.090 1.00 0.00 H
43
+ ATOM 42 HD2 TYR A 3 99.187 131.141 23.123 1.00 0.00 H
44
+ ATOM 43 HE1 TYR A 3 98.272 133.803 19.443 1.00 0.00 H
45
+ ATOM 44 HE2 TYR A 3 96.982 131.516 22.475 1.00 0.00 H
46
+ ATOM 45 HH TYR A 3 96.162 133.034 19.603 1.00 0.00 H
47
+ ATOM 46 N VAL A 4 104.414 131.873 20.890 1.00 0.00 N
48
+ ATOM 47 CA VAL A 4 105.825 132.078 21.176 1.00 0.00 C
49
+ ATOM 48 C VAL A 4 106.066 133.584 21.361 1.00 0.00 C
50
+ ATOM 49 O VAL A 4 105.246 134.400 20.936 1.00 0.00 O
51
+ ATOM 50 CB VAL A 4 106.747 131.487 20.063 1.00 0.00 C
52
+ ATOM 51 CG1 VAL A 4 106.424 130.011 19.843 1.00 0.00 C
53
+ ATOM 52 CG2 VAL A 4 106.628 132.268 18.764 1.00 0.00 C
54
+ ATOM 53 H VAL A 4 104.111 132.380 20.265 1.00 0.00 H
55
+ ATOM 54 HA VAL A 4 106.055 131.603 21.990 1.00 0.00 H
56
+ ATOM 55 HB VAL A 4 107.667 131.565 20.361 1.00 0.00 H
57
+ ATOM 56 HG11 VAL A 4 107.001 129.653 19.151 1.00 0.00 H
58
+ ATOM 57 HG12 VAL A 4 106.568 129.522 20.668 1.00 0.00 H
59
+ ATOM 58 HG13 VAL A 4 105.498 129.919 19.570 1.00 0.00 H
60
+ ATOM 59 HG21 VAL A 4 107.212 131.876 18.096 1.00 0.00 H
61
+ ATOM 60 HG22 VAL A 4 105.711 132.236 18.450 1.00 0.00 H
62
+ ATOM 61 HG23 VAL A 4 106.885 133.191 18.916 1.00 0.00 H
63
+ ATOM 62 N ARG A 5 107.127 133.933 22.086 1.00 0.00 N
64
+ ATOM 63 CA ARG A 5 107.486 135.326 22.302 1.00 0.00 C
65
+ ATOM 64 C ARG A 5 108.818 135.601 21.601 1.00 0.00 C
66
+ ATOM 65 O ARG A 5 109.758 134.816 21.708 1.00 0.00 O
67
+ ATOM 66 CB ARG A 5 107.597 135.636 23.801 1.00 0.00 C
68
+ ATOM 67 CG ARG A 5 108.043 137.049 24.092 1.00 0.00 C
69
+ ATOM 68 CD ARG A 5 108.308 137.266 25.567 1.00 0.00 C
70
+ ATOM 69 NE ARG A 5 107.086 137.325 26.380 1.00 0.00 N
71
+ ATOM 70 CZ ARG A 5 106.707 136.383 27.240 1.00 0.00 C
72
+ ATOM 71 NH1 ARG A 5 107.434 135.282 27.398 1.00 0.00 N
73
+ ATOM 72 NH2 ARG A 5 105.653 136.588 28.013 1.00 0.00 N
74
+ ATOM 73 H ARG A 5 107.655 133.369 22.464 1.00 0.00 H
75
+ ATOM 74 HA ARG A 5 106.794 135.898 21.934 1.00 0.00 H
76
+ ATOM 75 HB2 ARG A 5 106.736 135.483 24.220 1.00 0.00 H
77
+ ATOM 76 HB3 ARG A 5 108.224 135.017 24.207 1.00 0.00 H
78
+ ATOM 77 HG2 ARG A 5 108.848 137.244 23.587 1.00 0.00 H
79
+ ATOM 78 HG3 ARG A 5 107.362 137.671 23.791 1.00 0.00 H
80
+ ATOM 79 HD2 ARG A 5 108.872 136.549 25.896 1.00 0.00 H
81
+ ATOM 80 HD3 ARG A 5 108.804 138.092 25.681 1.00 0.00 H
82
+ ATOM 81 HE ARG A 5 106.581 138.016 26.294 1.00 0.00 H
83
+ ATOM 82 HH11 ARG A 5 108.156 135.174 26.943 1.00 0.00 H
84
+ ATOM 83 HH12 ARG A 5 107.183 134.677 27.956 1.00 0.00 H
85
+ ATOM 84 HH21 ARG A 5 105.217 137.327 27.958 1.00 0.00 H
86
+ ATOM 85 HH22 ARG A 5 105.404 135.982 28.570 1.00 0.00 H
87
+ ATOM 86 N ALA A 6 108.874 136.685 20.833 1.00 0.00 N
88
+ ATOM 87 CA ALA A 6 110.084 137.062 20.120 1.00 0.00 C
89
+ ATOM 88 C ALA A 6 111.178 137.505 21.105 1.00 0.00 C
90
+ ATOM 89 O ALA A 6 110.975 138.400 21.929 1.00 0.00 O
91
+ ATOM 90 CB ALA A 6 109.773 138.169 19.123 1.00 0.00 C
92
+ ATOM 91 H ALA A 6 108.212 137.220 20.712 1.00 0.00 H
93
+ ATOM 92 HA ALA A 6 110.415 136.290 19.634 1.00 0.00 H
94
+ ATOM 93 HB1 ALA A 6 110.583 138.416 18.651 1.00 0.00 H
95
+ ATOM 94 HB2 ALA A 6 109.111 137.855 18.487 1.00 0.00 H
96
+ ATOM 95 HB3 ALA A 6 109.426 138.942 19.595 1.00 0.00 H
97
+ ATOM 96 N LEU A 7 112.326 136.840 21.043 1.00 0.00 N
98
+ ATOM 97 CA LEU A 7 113.474 137.134 21.914 1.00 0.00 C
99
+ ATOM 98 C LEU A 7 114.353 138.231 21.349 1.00 0.00 C
100
+ ATOM 99 O LEU A 7 115.093 138.894 22.098 1.00 0.00 O
101
+ ATOM 100 CB LEU A 7 114.330 135.874 22.108 1.00 0.00 C
102
+ ATOM 101 CG LEU A 7 113.621 134.737 22.833 1.00 0.00 C
103
+ ATOM 102 CD1 LEU A 7 114.481 133.488 22.811 1.00 0.00 C
104
+ ATOM 103 CD2 LEU A 7 113.300 135.189 24.245 1.00 0.00 C
105
+ ATOM 104 H LEU A 7 112.468 136.197 20.490 1.00 0.00 H
106
+ ATOM 105 HA LEU A 7 113.113 137.434 22.763 1.00 0.00 H
107
+ ATOM 106 HB2 LEU A 7 114.621 135.557 21.239 1.00 0.00 H
108
+ ATOM 107 HB3 LEU A 7 115.128 136.112 22.605 1.00 0.00 H
109
+ ATOM 108 HG LEU A 7 112.789 134.513 22.387 1.00 0.00 H
110
+ ATOM 109 HD11 LEU A 7 114.022 132.770 23.275 1.00 0.00 H
111
+ ATOM 110 HD12 LEU A 7 114.647 133.225 21.892 1.00 0.00 H
112
+ ATOM 111 HD13 LEU A 7 115.326 133.669 23.252 1.00 0.00 H
113
+ ATOM 112 HD21 LEU A 7 112.848 134.474 24.719 1.00 0.00 H
114
+ ATOM 113 HD22 LEU A 7 114.122 135.414 24.708 1.00 0.00 H
115
+ ATOM 114 HD23 LEU A 7 112.724 135.969 24.212 1.00 0.00 H
116
+ ATOM 115 N PHE A 8 114.258 138.411 20.033 1.00 0.00 N
117
+ ATOM 116 CA PHE A 8 115.033 139.403 19.275 1.00 0.00 C
118
+ ATOM 117 C PHE A 8 114.190 139.877 18.109 1.00 0.00 C
119
+ ATOM 118 O PHE A 8 113.215 139.229 17.759 1.00 0.00 O
120
+ ATOM 119 CB PHE A 8 116.306 138.748 18.667 1.00 0.00 C
121
+ ATOM 120 CG PHE A 8 117.174 138.035 19.666 1.00 0.00 C
122
+ ATOM 121 CD1 PHE A 8 116.956 136.699 19.962 1.00 0.00 C
123
+ ATOM 122 CD2 PHE A 8 118.192 138.707 20.321 1.00 0.00 C
124
+ ATOM 123 CE1 PHE A 8 117.735 136.044 20.911 1.00 0.00 C
125
+ ATOM 124 CE2 PHE A 8 118.977 138.057 21.269 1.00 0.00 C
126
+ ATOM 125 CZ PHE A 8 118.742 136.727 21.556 1.00 0.00 C
127
+ ATOM 126 H PHE A 8 113.727 137.948 19.540 1.00 0.00 H
128
+ ATOM 127 HA PHE A 8 115.279 140.128 19.871 1.00 0.00 H
129
+ ATOM 128 HB2 PHE A 8 116.036 138.118 17.981 1.00 0.00 H
130
+ ATOM 129 HB3 PHE A 8 116.833 139.435 18.229 1.00 0.00 H
131
+ ATOM 130 HD1 PHE A 8 116.281 136.235 19.521 1.00 0.00 H
132
+ ATOM 131 HD2 PHE A 8 118.353 139.602 20.126 1.00 0.00 H
133
+ ATOM 132 HE1 PHE A 8 117.576 135.149 21.109 1.00 0.00 H
134
+ ATOM 133 HE2 PHE A 8 119.657 138.516 21.707 1.00 0.00 H
135
+ ATOM 134 HZ PHE A 8 119.266 136.290 22.188 1.00 0.00 H
136
+ ATOM 135 N ASP A 9 114.563 141.006 17.514 1.00 0.00 N
137
+ ATOM 136 CA ASP A 9 113.873 141.524 16.323 1.00 0.00 C
138
+ ATOM 137 C ASP A 9 114.297 140.614 15.165 1.00 0.00 C
139
+ ATOM 138 O ASP A 9 115.414 140.097 15.158 1.00 0.00 O
140
+ ATOM 139 CB ASP A 9 114.356 142.932 15.936 1.00 0.00 C
141
+ ATOM 140 CG ASP A 9 114.084 143.990 16.993 1.00 0.00 C
142
+ ATOM 141 OD1 ASP A 9 113.162 143.855 17.814 1.00 0.00 O
143
+ ATOM 142 OD2 ASP A 9 114.792 145.007 16.962 1.00 0.00 O
144
+ ATOM 143 H ASP A 9 115.218 141.494 17.783 1.00 0.00 H
145
+ ATOM 144 HA ASP A 9 112.920 141.551 16.501 1.00 0.00 H
146
+ ATOM 145 HB2 ASP A 9 115.310 142.900 15.761 1.00 0.00 H
147
+ ATOM 146 HB3 ASP A 9 113.924 143.196 15.108 1.00 0.00 H
148
+ ATOM 147 N PHE A 10 113.444 140.464 14.165 1.00 0.00 N
149
+ ATOM 148 CA PHE A 10 113.784 139.652 13.008 1.00 0.00 C
150
+ ATOM 149 C PHE A 10 113.264 140.486 11.855 1.00 0.00 C
151
+ ATOM 150 O PHE A 10 112.081 140.827 11.795 1.00 0.00 O
152
+ ATOM 151 CB PHE A 10 113.111 138.256 13.062 1.00 0.00 C
153
+ ATOM 152 CG PHE A 10 113.254 137.444 11.787 1.00 0.00 C
154
+ ATOM 153 CD1 PHE A 10 114.517 137.093 11.295 1.00 0.00 C
155
+ ATOM 154 CD2 PHE A 10 112.126 137.050 11.066 1.00 0.00 C
156
+ ATOM 155 CE1 PHE A 10 114.645 136.357 10.096 1.00 0.00 C
157
+ ATOM 156 CE2 PHE A 10 112.242 136.309 9.862 1.00 0.00 C
158
+ ATOM 157 CZ PHE A 10 113.511 135.973 9.385 1.00 0.00 C
159
+ ATOM 158 H PHE A 10 112.663 140.823 14.136 1.00 0.00 H
160
+ ATOM 159 HA PHE A 10 114.732 139.456 12.943 1.00 0.00 H
161
+ ATOM 160 HB2 PHE A 10 113.493 137.753 13.798 1.00 0.00 H
162
+ ATOM 161 HB3 PHE A 10 112.168 138.371 13.256 1.00 0.00 H
163
+ ATOM 162 HD1 PHE A 10 115.280 137.347 11.763 1.00 0.00 H
164
+ ATOM 163 HD2 PHE A 10 111.281 137.278 11.381 1.00 0.00 H
165
+ ATOM 164 HE1 PHE A 10 115.489 136.128 9.781 1.00 0.00 H
166
+ ATOM 165 HE2 PHE A 10 111.481 136.050 9.395 1.00 0.00 H
167
+ ATOM 166 HZ PHE A 10 113.599 135.493 8.593 1.00 0.00 H
168
+ ATOM 167 N ASN A 11 114.169 140.885 10.977 1.00 0.00 N
169
+ ATOM 168 CA ASN A 11 113.781 141.724 9.858 1.00 0.00 C
170
+ ATOM 169 C ASN A 11 113.188 140.957 8.686 1.00 0.00 C
171
+ ATOM 170 O ASN A 11 112.430 141.520 7.907 1.00 0.00 O
172
+ ATOM 171 CB ASN A 11 114.983 142.543 9.386 1.00 0.00 C
173
+ ATOM 172 CG ASN A 11 115.396 143.579 10.386 1.00 0.00 C
174
+ ATOM 173 OD1 ASN A 11 114.586 144.026 11.200 1.00 0.00 O
175
+ ATOM 174 ND2 ASN A 11 116.662 143.958 10.355 1.00 0.00 N
176
+ ATOM 175 H ASN A 11 115.005 140.684 11.010 1.00 0.00 H
177
+ ATOM 176 HA ASN A 11 113.076 142.305 10.185 1.00 0.00 H
178
+ ATOM 177 HB2 ASN A 11 115.729 141.948 9.214 1.00 0.00 H
179
+ ATOM 178 HB3 ASN A 11 114.766 142.976 8.546 1.00 0.00 H
180
+ ATOM 179 HD21 ASN A 11 116.951 144.540 10.919 1.00 0.00 H
181
+ ATOM 180 HD22 ASN A 11 117.197 143.623 9.771 1.00 0.00 H
182
+ ATOM 181 N GLY A 12 113.514 139.674 8.568 1.00 0.00 N
183
+ ATOM 182 CA GLY A 12 113.006 138.903 7.452 1.00 0.00 C
184
+ ATOM 183 C GLY A 12 114.029 139.002 6.338 1.00 0.00 C
185
+ ATOM 184 O GLY A 12 114.640 140.056 6.132 1.00 0.00 O
186
+ ATOM 185 H GLY A 12 114.018 139.242 9.114 1.00 0.00 H
187
+ ATOM 186 HA2 GLY A 12 112.868 137.978 7.709 1.00 0.00 H
188
+ ATOM 187 HA3 GLY A 12 112.147 139.247 7.160 1.00 0.00 H
189
+ ATOM 188 N ASN A 13 114.243 137.894 5.641 1.00 0.00 N
190
+ ATOM 189 CA ASN A 13 115.219 137.837 4.555 1.00 0.00 C
191
+ ATOM 190 C ASN A 13 114.518 137.507 3.252 1.00 0.00 C
192
+ ATOM 191 O ASN A 13 114.680 138.200 2.253 1.00 0.00 O
193
+ ATOM 192 CB ASN A 13 116.292 136.788 4.868 1.00 0.00 C
194
+ ATOM 193 CG ASN A 13 117.015 137.066 6.188 1.00 0.00 C
195
+ ATOM 194 OD1 ASN A 13 117.549 138.147 6.394 1.00 0.00 O
196
+ ATOM 195 ND2 ASN A 13 116.993 136.110 7.099 1.00 0.00 N
197
+ ATOM 196 H ASN A 13 113.829 137.154 5.782 1.00 0.00 H
198
+ ATOM 197 HA ASN A 13 115.650 138.701 4.467 1.00 0.00 H
199
+ ATOM 198 HB2 ASN A 13 115.881 135.910 4.906 1.00 0.00 H
200
+ ATOM 199 HB3 ASN A 13 116.940 136.766 4.146 1.00 0.00 H
201
+ ATOM 200 HD21 ASN A 13 117.362 136.238 7.865 1.00 0.00 H
202
+ ATOM 201 HD22 ASN A 13 116.610 135.360 6.926 1.00 0.00 H
203
+ ATOM 202 N ASP A 14 113.744 136.434 3.267 1.00 0.00 N
204
+ ATOM 203 CA ASP A 14 112.983 136.030 2.107 1.00 0.00 C
205
+ ATOM 204 C ASP A 14 111.603 136.637 2.198 1.00 0.00 C
206
+ ATOM 205 O ASP A 14 111.144 136.985 3.279 1.00 0.00 O
207
+ ATOM 206 CB ASP A 14 112.897 134.510 2.029 1.00 0.00 C
208
+ ATOM 207 CG ASP A 14 114.177 133.892 1.497 1.00 0.00 C
209
+ ATOM 208 OD1 ASP A 14 115.113 134.653 1.134 1.00 0.00 O
210
+ ATOM 209 OD2 ASP A 14 114.232 132.643 1.414 1.00 0.00 O
211
+ ATOM 210 H ASP A 14 113.647 135.922 3.951 1.00 0.00 H
212
+ ATOM 211 HA ASP A 14 113.423 136.343 1.301 1.00 0.00 H
213
+ ATOM 212 HB2 ASP A 14 112.709 134.152 2.911 1.00 0.00 H
214
+ ATOM 213 HB3 ASP A 14 112.156 134.258 1.457 1.00 0.00 H
215
+ ATOM 214 N GLU A 15 110.946 136.770 1.059 1.00 0.00 N
216
+ ATOM 215 CA GLU A 15 109.617 137.345 1.018 1.00 0.00 C
217
+ ATOM 216 C GLU A 15 108.588 136.550 1.809 1.00 0.00 C
218
+ ATOM 217 O GLU A 15 107.568 137.108 2.199 1.00 0.00 O
219
+ ATOM 218 CB GLU A 15 109.171 137.501 -0.427 1.00 0.00 C
220
+ ATOM 219 CG GLU A 15 109.891 138.601 -1.161 1.00 0.00 C
221
+ ATOM 220 CD GLU A 15 109.564 139.965 -0.587 1.00 0.00 C
222
+ ATOM 221 OE1 GLU A 15 108.463 140.473 -0.873 1.00 0.00 O
223
+ ATOM 222 OE2 GLU A 15 110.399 140.517 0.168 1.00 0.00 O
224
+ ATOM 223 H GLU A 15 111.256 136.531 0.293 1.00 0.00 H
225
+ ATOM 224 HA GLU A 15 109.672 138.214 1.446 1.00 0.00 H
226
+ ATOM 225 HB2 GLU A 15 109.313 136.663 -0.894 1.00 0.00 H
227
+ ATOM 226 HB3 GLU A 15 108.218 137.679 -0.447 1.00 0.00 H
228
+ ATOM 227 HG2 GLU A 15 110.848 138.450 -1.113 1.00 0.00 H
229
+ ATOM 228 HG3 GLU A 15 109.647 138.578 -2.100 1.00 0.00 H
230
+ ATOM 229 N GLU A 16 108.825 135.250 2.014 1.00 0.00 N
231
+ ATOM 230 CA GLU A 16 107.907 134.401 2.792 1.00 0.00 C
232
+ ATOM 231 C GLU A 16 108.053 134.609 4.310 1.00 0.00 C
233
+ ATOM 232 O GLU A 16 107.263 134.086 5.089 1.00 0.00 O
234
+ ATOM 233 CB GLU A 16 108.169 132.914 2.511 1.00 0.00 C
235
+ ATOM 234 CG GLU A 16 109.508 132.422 3.071 1.00 0.00 C
236
+ ATOM 235 CD GLU A 16 109.769 130.940 2.822 1.00 0.00 C
237
+ ATOM 236 OE1 GLU A 16 108.886 130.116 3.153 1.00 0.00 O
238
+ ATOM 237 OE2 GLU A 16 110.854 130.598 2.290 1.00 0.00 O
239
+ ATOM 238 H GLU A 16 109.515 134.837 1.710 1.00 0.00 H
240
+ ATOM 239 HA GLU A 16 107.014 134.659 2.516 1.00 0.00 H
241
+ ATOM 240 HB2 GLU A 16 107.451 132.387 2.895 1.00 0.00 H
242
+ ATOM 241 HB3 GLU A 16 108.151 132.764 1.553 1.00 0.00 H
243
+ ATOM 242 HG2 GLU A 16 110.226 132.940 2.674 1.00 0.00 H
244
+ ATOM 243 HG3 GLU A 16 109.532 132.590 4.026 1.00 0.00 H
245
+ ATOM 244 N ASP A 17 109.101 135.297 4.732 1.00 0.00 N
246
+ ATOM 245 CA ASP A 17 109.342 135.514 6.150 1.00 0.00 C
247
+ ATOM 246 C ASP A 17 108.404 136.495 6.826 1.00 0.00 C
248
+ ATOM 247 O ASP A 17 107.961 137.470 6.213 1.00 0.00 O
249
+ ATOM 248 CB ASP A 17 110.784 136.001 6.353 1.00 0.00 C
250
+ ATOM 249 CG ASP A 17 111.807 134.948 5.993 1.00 0.00 C
251
+ ATOM 250 OD1 ASP A 17 111.376 133.809 5.785 1.00 0.00 O
252
+ ATOM 251 OD2 ASP A 17 113.016 135.246 5.924 1.00 0.00 O
253
+ ATOM 252 H ASP A 17 109.688 135.649 4.212 1.00 0.00 H
254
+ ATOM 253 HA ASP A 17 109.179 134.654 6.569 1.00 0.00 H
255
+ ATOM 254 HB2 ASP A 17 110.934 136.792 5.812 1.00 0.00 H
256
+ ATOM 255 HB3 ASP A 17 110.906 136.263 7.279 1.00 0.00 H
257
+ ATOM 256 N LEU A 18 108.174 136.282 8.118 1.00 0.00 N
258
+ ATOM 257 CA LEU A 18 107.323 137.175 8.910 1.00 0.00 C
259
+ ATOM 258 C LEU A 18 108.237 138.024 9.796 1.00 0.00 C
260
+ ATOM 259 O LEU A 18 108.829 137.517 10.754 1.00 0.00 O
261
+ ATOM 260 CB LEU A 18 106.340 136.395 9.792 1.00 0.00 C
262
+ ATOM 261 CG LEU A 18 105.432 137.212 10.727 1.00 0.00 C
263
+ ATOM 262 CD1 LEU A 18 104.567 138.191 9.919 1.00 0.00 C
264
+ ATOM 263 CD2 LEU A 18 104.534 136.266 11.545 1.00 0.00 C
265
+ ATOM 264 H LEU A 18 108.503 135.622 8.560 1.00 0.00 H
266
+ ATOM 265 HA LEU A 18 106.797 137.726 8.309 1.00 0.00 H
267
+ ATOM 266 HB2 LEU A 18 105.773 135.863 9.212 1.00 0.00 H
268
+ ATOM 267 HB3 LEU A 18 106.851 135.775 10.336 1.00 0.00 H
269
+ ATOM 268 HG LEU A 18 105.991 137.723 11.333 1.00 0.00 H
270
+ ATOM 269 HD11 LEU A 18 104.001 138.697 10.523 1.00 0.00 H
271
+ ATOM 270 HD12 LEU A 18 105.140 138.799 9.427 1.00 0.00 H
272
+ ATOM 271 HD13 LEU A 18 104.012 137.695 9.296 1.00 0.00 H
273
+ ATOM 272 HD21 LEU A 18 103.964 136.787 12.132 1.00 0.00 H
274
+ ATOM 273 HD22 LEU A 18 103.983 135.741 10.943 1.00 0.00 H
275
+ ATOM 274 HD23 LEU A 18 105.088 135.672 12.076 1.00 0.00 H
276
+ ATOM 275 N PRO A 19 108.422 139.303 9.437 1.00 0.00 N
277
+ ATOM 276 CA PRO A 19 109.275 140.193 10.234 1.00 0.00 C
278
+ ATOM 277 C PRO A 19 108.585 140.427 11.574 1.00 0.00 C
279
+ ATOM 278 O PRO A 19 107.358 140.405 11.645 1.00 0.00 O
280
+ ATOM 279 CB PRO A 19 109.283 141.491 9.406 1.00 0.00 C
281
+ ATOM 280 CG PRO A 19 108.992 141.036 8.003 1.00 0.00 C
282
+ ATOM 281 CD PRO A 19 107.935 139.984 8.225 1.00 0.00 C
283
+ ATOM 282 HA PRO A 19 110.167 139.855 10.409 1.00 0.00 H
284
+ ATOM 283 HB2 PRO A 19 108.613 142.117 9.722 1.00 0.00 H
285
+ ATOM 284 HB3 PRO A 19 110.140 141.942 9.462 1.00 0.00 H
286
+ ATOM 285 HG2 PRO A 19 108.670 141.762 7.446 1.00 0.00 H
287
+ ATOM 286 HG3 PRO A 19 109.780 140.673 7.569 1.00 0.00 H
288
+ ATOM 287 HD2 PRO A 19 107.057 140.375 8.357 1.00 0.00 H
289
+ ATOM 288 HD3 PRO A 19 107.865 139.377 7.472 1.00 0.00 H
290
+ ATOM 289 N PHE A 20 109.352 140.632 12.639 1.00 0.00 N
291
+ ATOM 290 CA PHE A 20 108.786 140.890 13.955 1.00 0.00 C
292
+ ATOM 291 C PHE A 20 109.800 141.584 14.848 1.00 0.00 C
293
+ ATOM 292 O PHE A 20 110.987 141.672 14.512 1.00 0.00 O
294
+ ATOM 293 CB PHE A 20 108.238 139.613 14.633 1.00 0.00 C
295
+ ATOM 294 CG PHE A 20 109.237 138.484 14.770 1.00 0.00 C
296
+ ATOM 295 CD1 PHE A 20 110.199 138.489 15.770 1.00 0.00 C
297
+ ATOM 296 CD2 PHE A 20 109.184 137.385 13.907 1.00 0.00 C
298
+ ATOM 297 CE1 PHE A 20 111.095 137.425 15.916 1.00 0.00 C
299
+ ATOM 298 CE2 PHE A 20 110.069 136.319 14.041 1.00 0.00 C
300
+ ATOM 299 CZ PHE A 20 111.036 136.335 15.052 1.00 0.00 C
301
+ ATOM 300 H PHE A 20 110.212 140.625 12.618 1.00 0.00 H
302
+ ATOM 301 HA PHE A 20 108.028 141.480 13.823 1.00 0.00 H
303
+ ATOM 302 HB2 PHE A 20 107.911 139.847 15.516 1.00 0.00 H
304
+ ATOM 303 HB3 PHE A 20 107.477 139.294 14.124 1.00 0.00 H
305
+ ATOM 304 HD1 PHE A 20 110.249 139.212 16.353 1.00 0.00 H
306
+ ATOM 305 HD2 PHE A 20 108.546 137.366 13.231 1.00 0.00 H
307
+ ATOM 306 HE1 PHE A 20 111.733 137.446 16.593 1.00 0.00 H
308
+ ATOM 307 HE2 PHE A 20 110.017 135.596 13.458 1.00 0.00 H
309
+ ATOM 308 HZ PHE A 20 111.632 135.627 15.146 1.00 0.00 H
310
+ ATOM 309 N LYS A 21 109.328 142.095 15.982 1.00 0.00 N
311
+ ATOM 310 CA LYS A 21 110.198 142.790 16.939 1.00 0.00 C
312
+ ATOM 311 C LYS A 21 110.231 142.050 18.279 1.00 0.00 C
313
+ ATOM 312 O LYS A 21 109.259 141.411 18.673 1.00 0.00 O
314
+ ATOM 313 CB LYS A 21 109.704 144.226 17.174 1.00 0.00 C
315
+ ATOM 314 CG LYS A 21 109.708 145.127 15.949 1.00 0.00 C
316
+ ATOM 315 CD LYS A 21 111.117 145.481 15.536 1.00 0.00 C
317
+ ATOM 316 CE LYS A 21 111.068 146.350 14.299 1.00 0.00 C
318
+ ATOM 317 NZ LYS A 21 112.436 146.701 13.864 1.00 0.00 N
319
+ ATOM 318 H LYS A 21 108.503 142.051 16.220 1.00 0.00 H
320
+ ATOM 319 HA LYS A 21 111.092 142.812 16.562 1.00 0.00 H
321
+ ATOM 320 HB2 LYS A 21 108.801 144.187 17.525 1.00 0.00 H
322
+ ATOM 321 HB3 LYS A 21 110.257 144.634 17.858 1.00 0.00 H
323
+ ATOM 322 HG2 LYS A 21 109.255 144.682 15.216 1.00 0.00 H
324
+ ATOM 323 HG3 LYS A 21 109.211 145.938 16.139 1.00 0.00 H
325
+ ATOM 324 HD2 LYS A 21 111.569 145.949 16.256 1.00 0.00 H
326
+ ATOM 325 HD3 LYS A 21 111.626 144.675 15.358 1.00 0.00 H
327
+ ATOM 326 HE2 LYS A 21 110.605 145.883 13.586 1.00 0.00 H
328
+ ATOM 327 HE3 LYS A 21 110.563 147.158 14.483 1.00 0.00 H
329
+ ATOM 328 HZ1 LYS A 21 112.423 147.489 13.451 1.00 0.00 H
330
+ ATOM 329 HZ2 LYS A 21 112.971 146.747 14.574 1.00 0.00 H
331
+ ATOM 330 HZ3 LYS A 21 112.739 146.078 13.305 1.00 0.00 H
332
+ ATOM 331 N LYS A 22 111.348 142.154 18.983 1.00 0.00 N
333
+ ATOM 332 CA LYS A 22 111.468 141.518 20.273 1.00 0.00 C
334
+ ATOM 333 C LYS A 22 110.223 141.873 21.100 1.00 0.00 C
335
+ ATOM 334 O LYS A 22 109.775 143.036 21.110 1.00 0.00 O
336
+ ATOM 335 CB LYS A 22 112.729 142.018 20.986 1.00 0.00 C
337
+ ATOM 336 CG LYS A 22 112.873 141.561 22.416 1.00 0.00 C
338
+ ATOM 337 CD LYS A 22 114.255 141.951 22.945 1.00 0.00 C
339
+ ATOM 338 CE LYS A 22 114.387 141.591 24.422 1.00 0.00 C
340
+ ATOM 339 NZ LYS A 22 115.782 141.764 24.900 1.00 0.00 N
341
+ ATOM 340 H LYS A 22 112.045 142.589 18.728 1.00 0.00 H
342
+ ATOM 341 HA LYS A 22 111.536 140.556 20.167 1.00 0.00 H
343
+ ATOM 342 HB2 LYS A 22 113.506 141.723 20.486 1.00 0.00 H
344
+ ATOM 343 HB3 LYS A 22 112.732 142.988 20.968 1.00 0.00 H
345
+ ATOM 344 HG2 LYS A 22 112.182 141.963 22.965 1.00 0.00 H
346
+ ATOM 345 HG3 LYS A 22 112.755 140.600 22.471 1.00 0.00 H
347
+ ATOM 346 HD2 LYS A 22 114.943 141.496 22.434 1.00 0.00 H
348
+ ATOM 347 HD3 LYS A 22 114.396 142.903 22.825 1.00 0.00 H
349
+ ATOM 348 HE2 LYS A 22 113.792 142.149 24.947 1.00 0.00 H
350
+ ATOM 349 HE3 LYS A 22 114.108 140.672 24.559 1.00 0.00 H
351
+ ATOM 350 HZ1 LYS A 22 115.906 141.279 25.636 1.00 0.00 H
352
+ ATOM 351 HZ2 LYS A 22 116.348 141.494 24.269 1.00 0.00 H
353
+ ATOM 352 HZ3 LYS A 22 115.929 142.623 25.082 1.00 0.00 H
354
+ ATOM 353 N GLY A 23 109.651 140.867 21.755 1.00 0.00 N
355
+ ATOM 354 CA GLY A 23 108.481 141.090 22.564 1.00 0.00 C
356
+ ATOM 355 C GLY A 23 107.176 140.713 21.894 1.00 0.00 C
357
+ ATOM 356 O GLY A 23 106.184 140.478 22.578 1.00 0.00 O
358
+ ATOM 357 H GLY A 23 109.930 140.054 21.739 1.00 0.00 H
359
+ ATOM 358 HA2 GLY A 23 108.568 140.583 23.386 1.00 0.00 H
360
+ ATOM 359 HA3 GLY A 23 108.446 142.027 22.811 1.00 0.00 H
361
+ ATOM 360 N ASP A 24 107.154 140.635 20.571 1.00 0.00 N
362
+ ATOM 361 CA ASP A 24 105.915 140.284 19.891 1.00 0.00 C
363
+ ATOM 362 C ASP A 24 105.473 138.883 20.268 1.00 0.00 C
364
+ ATOM 363 O ASP A 24 106.305 138.027 20.463 1.00 0.00 O
365
+ ATOM 364 CB ASP A 24 106.077 140.315 18.361 1.00 0.00 C
366
+ ATOM 365 CG ASP A 24 106.143 141.725 17.789 1.00 0.00 C
367
+ ATOM 366 OD1 ASP A 24 105.812 142.703 18.495 1.00 0.00 O
368
+ ATOM 367 OD2 ASP A 24 106.518 141.852 16.605 1.00 0.00 O
369
+ ATOM 368 H ASP A 24 107.829 140.778 20.057 1.00 0.00 H
370
+ ATOM 369 HA ASP A 24 105.256 140.940 20.167 1.00 0.00 H
371
+ ATOM 370 HB2 ASP A 24 106.885 139.836 18.118 1.00 0.00 H
372
+ ATOM 371 HB3 ASP A 24 105.334 139.842 17.954 1.00 0.00 H
373
+ ATOM 372 N ILE A 25 104.165 138.678 20.394 1.00 0.00 N
374
+ ATOM 373 CA ILE A 25 103.611 137.355 20.672 1.00 0.00 C
375
+ ATOM 374 C ILE A 25 103.104 136.840 19.328 1.00 0.00 C
376
+ ATOM 375 O ILE A 25 102.366 137.547 18.612 1.00 0.00 O
377
+ ATOM 376 CB ILE A 25 102.463 137.393 21.730 1.00 0.00 C
378
+ ATOM 377 CG1 ILE A 25 102.981 137.964 23.067 1.00 0.00 C
379
+ ATOM 378 CG2 ILE A 25 101.914 135.973 21.972 1.00 0.00 C
380
+ ATOM 379 CD1 ILE A 25 104.144 137.192 23.665 1.00 0.00 C
381
+ ATOM 380 H ILE A 25 103.575 139.299 20.321 1.00 0.00 H
382
+ ATOM 381 HA ILE A 25 104.286 136.774 21.058 1.00 0.00 H
383
+ ATOM 382 HB ILE A 25 101.756 137.962 21.388 1.00 0.00 H
384
+ ATOM 383 HG12 ILE A 25 103.254 138.885 22.930 1.00 0.00 H
385
+ ATOM 384 HG13 ILE A 25 102.251 137.976 23.706 1.00 0.00 H
386
+ ATOM 385 HG21 ILE A 25 101.202 136.009 22.630 1.00 0.00 H
387
+ ATOM 386 HG22 ILE A 25 101.567 135.614 21.140 1.00 0.00 H
388
+ ATOM 387 HG23 ILE A 25 102.627 135.401 22.298 1.00 0.00 H
389
+ ATOM 388 HD11 ILE A 25 104.414 137.607 24.499 1.00 0.00 H
390
+ ATOM 389 HD12 ILE A 25 103.872 136.276 23.833 1.00 0.00 H
391
+ ATOM 390 HD13 ILE A 25 104.890 137.199 23.045 1.00 0.00 H
392
+ ATOM 391 N LEU A 26 103.601 135.672 18.926 1.00 0.00 N
393
+ ATOM 392 CA LEU A 26 103.222 135.060 17.648 1.00 0.00 C
394
+ ATOM 393 C LEU A 26 102.529 133.711 17.843 1.00 0.00 C
395
+ ATOM 394 O LEU A 26 102.875 132.957 18.749 1.00 0.00 O
396
+ ATOM 395 CB LEU A 26 104.469 134.863 16.784 1.00 0.00 C
397
+ ATOM 396 CG LEU A 26 105.351 136.103 16.599 1.00 0.00 C
398
+ ATOM 397 CD1 LEU A 26 106.813 135.717 16.485 1.00 0.00 C
399
+ ATOM 398 CD2 LEU A 26 104.896 136.875 15.390 1.00 0.00 C
400
+ ATOM 399 H LEU A 26 104.166 135.212 19.383 1.00 0.00 H
401
+ ATOM 400 HA LEU A 26 102.597 135.659 17.210 1.00 0.00 H
402
+ ATOM 401 HB2 LEU A 26 105.008 134.159 17.178 1.00 0.00 H
403
+ ATOM 402 HB3 LEU A 26 104.190 134.551 15.909 1.00 0.00 H
404
+ ATOM 403 HG LEU A 26 105.262 136.671 17.380 1.00 0.00 H
405
+ ATOM 404 HD11 LEU A 26 107.351 136.516 16.369 1.00 0.00 H
406
+ ATOM 405 HD12 LEU A 26 107.090 135.256 17.292 1.00 0.00 H
407
+ ATOM 406 HD13 LEU A 26 106.935 135.132 15.721 1.00 0.00 H
408
+ ATOM 407 HD21 LEU A 26 105.456 137.659 15.276 1.00 0.00 H
409
+ ATOM 408 HD22 LEU A 26 104.964 136.313 14.602 1.00 0.00 H
410
+ ATOM 409 HD23 LEU A 26 103.974 137.152 15.511 1.00 0.00 H
411
+ ATOM 410 N ARG A 27 101.573 133.391 16.980 1.00 0.00 N
412
+ ATOM 411 CA ARG A 27 100.899 132.106 17.091 1.00 0.00 C
413
+ ATOM 412 C ARG A 27 101.451 131.156 16.043 1.00 0.00 C
414
+ ATOM 413 O ARG A 27 101.544 131.513 14.878 1.00 0.00 O
415
+ ATOM 414 CB ARG A 27 99.375 132.238 16.935 1.00 0.00 C
416
+ ATOM 415 CG ARG A 27 98.615 130.985 17.419 1.00 0.00 C
417
+ ATOM 416 CD ARG A 27 97.102 131.096 17.267 1.00 0.00 C
418
+ ATOM 417 NE ARG A 27 96.704 131.399 15.891 1.00 0.00 N
419
+ ATOM 418 CZ ARG A 27 96.578 130.495 14.935 1.00 0.00 C
420
+ ATOM 419 NH1 ARG A 27 96.815 129.210 15.207 1.00 0.00 N
421
+ ATOM 420 NH2 ARG A 27 96.298 130.885 13.694 1.00 0.00 N
422
+ ATOM 421 H ARG A 27 101.304 133.893 16.335 1.00 0.00 H
423
+ ATOM 422 HA ARG A 27 101.067 131.755 17.979 1.00 0.00 H
424
+ ATOM 423 HB2 ARG A 27 99.068 133.011 17.435 1.00 0.00 H
425
+ ATOM 424 HB3 ARG A 27 99.162 132.401 16.003 1.00 0.00 H
426
+ ATOM 425 HG2 ARG A 27 98.927 130.213 16.921 1.00 0.00 H
427
+ ATOM 426 HG3 ARG A 27 98.829 130.826 18.352 1.00 0.00 H
428
+ ATOM 427 HD2 ARG A 27 96.689 130.264 17.545 1.00 0.00 H
429
+ ATOM 428 HD3 ARG A 27 96.769 131.789 17.858 1.00 0.00 H
430
+ ATOM 429 HE ARG A 27 96.541 132.220 15.692 1.00 0.00 H
431
+ ATOM 430 HH11 ARG A 27 97.048 128.974 16.001 1.00 0.00 H
432
+ ATOM 431 HH12 ARG A 27 96.734 128.618 14.589 1.00 0.00 H
433
+ ATOM 432 HH21 ARG A 27 96.200 131.721 13.518 1.00 0.00 H
434
+ ATOM 433 HH22 ARG A 27 96.215 130.301 13.068 1.00 0.00 H
435
+ ATOM 434 N ILE A 28 101.816 129.944 16.463 1.00 0.00 N
436
+ ATOM 435 CA ILE A 28 102.357 128.948 15.534 1.00 0.00 C
437
+ ATOM 436 C ILE A 28 101.222 128.220 14.798 1.00 0.00 C
438
+ ATOM 437 O ILE A 28 100.278 127.702 15.417 1.00 0.00 O
439
+ ATOM 438 CB ILE A 28 103.293 127.926 16.256 1.00 0.00 C
440
+ ATOM 439 CG1 ILE A 28 104.349 128.664 17.091 1.00 0.00 C
441
+ ATOM 440 CG2 ILE A 28 103.975 126.999 15.238 1.00 0.00 C
442
+ ATOM 441 CD1 ILE A 28 105.247 129.622 16.282 1.00 0.00 C
443
+ ATOM 442 H ILE A 28 101.759 129.678 17.279 1.00 0.00 H
444
+ ATOM 443 HA ILE A 28 102.896 129.422 14.881 1.00 0.00 H
445
+ ATOM 444 HB ILE A 28 102.749 127.384 16.849 1.00 0.00 H
446
+ ATOM 445 HG12 ILE A 28 103.900 129.169 17.787 1.00 0.00 H
447
+ ATOM 446 HG13 ILE A 28 104.911 128.009 17.534 1.00 0.00 H
448
+ ATOM 447 HG21 ILE A 28 104.551 126.373 15.705 1.00 0.00 H
449
+ ATOM 448 HG22 ILE A 28 103.300 126.509 14.743 1.00 0.00 H
450
+ ATOM 449 HG23 ILE A 28 104.506 127.529 14.623 1.00 0.00 H
451
+ ATOM 450 HD11 ILE A 28 105.884 130.048 16.876 1.00 0.00 H
452
+ ATOM 451 HD12 ILE A 28 105.724 129.122 15.602 1.00 0.00 H
453
+ ATOM 452 HD13 ILE A 28 104.698 130.300 15.858 1.00 0.00 H
454
+ ATOM 453 N ARG A 29 101.300 128.235 13.471 1.00 0.00 N
455
+ ATOM 454 CA ARG A 29 100.304 127.593 12.630 1.00 0.00 C
456
+ ATOM 455 C ARG A 29 100.789 126.254 12.058 1.00 0.00 C
457
+ ATOM 456 O ARG A 29 99.995 125.318 11.855 1.00 0.00 O
458
+ ATOM 457 CB ARG A 29 99.937 128.510 11.451 1.00 0.00 C
459
+ ATOM 458 CG ARG A 29 99.360 129.861 11.840 1.00 0.00 C
460
+ ATOM 459 CD ARG A 29 98.998 130.673 10.599 1.00 0.00 C
461
+ ATOM 460 NE ARG A 29 97.915 130.041 9.856 1.00 0.00 N
462
+ ATOM 461 CZ ARG A 29 98.045 129.493 8.654 1.00 0.00 C
463
+ ATOM 462 NH1 ARG A 29 99.212 129.513 8.021 1.00 0.00 N
464
+ ATOM 463 NH2 ARG A 29 97.021 128.862 8.114 1.00 0.00 N
465
+ ATOM 464 H ARG A 29 101.934 128.619 13.035 1.00 0.00 H
466
+ ATOM 465 HA ARG A 29 99.534 127.426 13.196 1.00 0.00 H
467
+ ATOM 466 HB2 ARG A 29 100.731 128.656 10.913 1.00 0.00 H
468
+ ATOM 467 HB3 ARG A 29 99.295 128.049 10.889 1.00 0.00 H
469
+ ATOM 468 HG2 ARG A 29 98.571 129.734 12.390 1.00 0.00 H
470
+ ATOM 469 HG3 ARG A 29 100.004 130.350 12.376 1.00 0.00 H
471
+ ATOM 470 HD2 ARG A 29 98.735 131.569 10.861 1.00 0.00 H
472
+ ATOM 471 HD3 ARG A 29 99.777 130.762 10.028 1.00 0.00 H
473
+ ATOM 472 HE ARG A 29 97.137 130.022 10.222 1.00 0.00 H
474
+ ATOM 473 HH11 ARG A 29 99.895 129.884 8.390 1.00 0.00 H
475
+ ATOM 474 HH12 ARG A 29 99.285 129.155 7.243 1.00 0.00 H
476
+ ATOM 475 HH21 ARG A 29 96.276 128.808 8.540 1.00 0.00 H
477
+ ATOM 476 HH22 ARG A 29 97.098 128.505 7.336 1.00 0.00 H
478
+ ATOM 477 N ASP A 30 102.090 126.144 11.807 1.00 0.00 N
479
+ ATOM 478 CA ASP A 30 102.603 124.926 11.206 1.00 0.00 C
480
+ ATOM 479 C ASP A 30 104.126 124.871 11.382 1.00 0.00 C
481
+ ATOM 480 O ASP A 30 104.762 125.910 11.563 1.00 0.00 O
482
+ ATOM 481 CB ASP A 30 102.248 124.970 9.709 1.00 0.00 C
483
+ ATOM 482 CG ASP A 30 102.424 123.641 9.013 1.00 0.00 C
484
+ ATOM 483 OD1 ASP A 30 102.070 122.592 9.601 1.00 0.00 O
485
+ ATOM 484 OD2 ASP A 30 102.898 123.660 7.855 1.00 0.00 O
486
+ ATOM 485 H ASP A 30 102.678 126.749 11.974 1.00 0.00 H
487
+ ATOM 486 HA ASP A 30 102.217 124.141 11.625 1.00 0.00 H
488
+ ATOM 487 HB2 ASP A 30 101.328 125.260 9.610 1.00 0.00 H
489
+ ATOM 488 HB3 ASP A 30 102.804 125.633 9.271 1.00 0.00 H
490
+ ATOM 489 N LYS A 31 104.697 123.664 11.321 1.00 0.00 N
491
+ ATOM 490 CA LYS A 31 106.140 123.474 11.465 1.00 0.00 C
492
+ ATOM 491 C LYS A 31 106.596 122.609 10.295 1.00 0.00 C
493
+ ATOM 492 O LYS A 31 106.763 121.393 10.431 1.00 0.00 O
494
+ ATOM 493 CB LYS A 31 106.456 122.765 12.790 1.00 0.00 C
495
+ ATOM 494 CG LYS A 31 105.859 123.455 14.004 1.00 0.00 C
496
+ ATOM 495 CD LYS A 31 106.268 122.780 15.314 1.00 0.00 C
497
+ ATOM 496 CE LYS A 31 105.634 123.534 16.489 1.00 0.00 C
498
+ ATOM 497 NZ LYS A 31 106.184 123.194 17.834 1.00 0.00 N
499
+ ATOM 498 H LYS A 31 104.258 122.935 11.195 1.00 0.00 H
500
+ ATOM 499 HA LYS A 31 106.598 124.329 11.468 1.00 0.00 H
501
+ ATOM 500 HB2 LYS A 31 106.124 121.855 12.749 1.00 0.00 H
502
+ ATOM 501 HB3 LYS A 31 107.418 122.711 12.898 1.00 0.00 H
503
+ ATOM 502 HG2 LYS A 31 106.142 124.383 14.018 1.00 0.00 H
504
+ ATOM 503 HG3 LYS A 31 104.892 123.455 13.931 1.00 0.00 H
505
+ ATOM 504 HD2 LYS A 31 105.980 121.854 15.317 1.00 0.00 H
506
+ ATOM 505 HD3 LYS A 31 107.234 122.777 15.401 1.00 0.00 H
507
+ ATOM 506 HE2 LYS A 31 105.745 124.486 16.341 1.00 0.00 H
508
+ ATOM 507 HE3 LYS A 31 104.680 123.357 16.491 1.00 0.00 H
509
+ ATOM 508 HZ1 LYS A 31 105.543 122.833 18.335 1.00 0.00 H
510
+ ATOM 509 HZ2 LYS A 31 106.852 122.613 17.744 1.00 0.00 H
511
+ ATOM 510 HZ3 LYS A 31 106.486 123.933 18.227 1.00 0.00 H
512
+ ATOM 511 N PRO A 32 106.751 123.212 9.109 1.00 0.00 N
513
+ ATOM 512 CA PRO A 32 107.183 122.425 7.952 1.00 0.00 C
514
+ ATOM 513 C PRO A 32 108.651 122.029 8.048 1.00 0.00 C
515
+ ATOM 514 O PRO A 32 109.118 121.141 7.329 1.00 0.00 O
516
+ ATOM 515 CB PRO A 32 106.910 123.373 6.787 1.00 0.00 C
517
+ ATOM 516 CG PRO A 32 107.092 124.740 7.388 1.00 0.00 C
518
+ ATOM 517 CD PRO A 32 106.466 124.613 8.741 1.00 0.00 C
519
+ ATOM 518 HA PRO A 32 106.721 121.577 7.867 1.00 0.00 H
520
+ ATOM 519 HB2 PRO A 32 107.526 123.222 6.053 1.00 0.00 H
521
+ ATOM 520 HB3 PRO A 32 106.014 123.255 6.434 1.00 0.00 H
522
+ ATOM 521 HG2 PRO A 32 108.030 124.981 7.449 1.00 0.00 H
523
+ ATOM 522 HG3 PRO A 32 106.657 125.425 6.856 1.00 0.00 H
524
+ ATOM 523 HD2 PRO A 32 106.853 125.237 9.375 1.00 0.00 H
525
+ ATOM 524 HD3 PRO A 32 105.513 124.790 8.714 1.00 0.00 H
526
+ ATOM 525 N GLU A 33 109.377 122.691 8.946 1.00 0.00 N
527
+ ATOM 526 CA GLU A 33 110.788 122.433 9.163 1.00 0.00 C
528
+ ATOM 527 C GLU A 33 111.025 122.488 10.659 1.00 0.00 C
529
+ ATOM 528 O GLU A 33 110.217 123.034 11.398 1.00 0.00 O
530
+ ATOM 529 CB GLU A 33 111.582 123.548 8.537 1.00 0.00 C
531
+ ATOM 530 CG GLU A 33 112.648 123.092 7.641 1.00 0.00 C
532
+ ATOM 531 CD GLU A 33 113.447 124.257 7.171 1.00 0.00 C
533
+ ATOM 532 OE1 GLU A 33 112.928 124.995 6.312 1.00 0.00 O
534
+ ATOM 533 OE2 GLU A 33 114.562 124.459 7.689 1.00 0.00 O
535
+ ATOM 534 H GLU A 33 109.056 123.309 9.450 1.00 0.00 H
536
+ ATOM 535 HA GLU A 33 111.047 121.578 8.785 1.00 0.00 H
537
+ ATOM 536 HB2 GLU A 33 110.979 124.123 8.040 1.00 0.00 H
538
+ ATOM 537 HB3 GLU A 33 111.973 124.089 9.241 1.00 0.00 H
539
+ ATOM 538 HG2 GLU A 33 113.222 122.461 8.103 1.00 0.00 H
540
+ ATOM 539 HG3 GLU A 33 112.266 122.624 6.882 1.00 0.00 H
541
+ ATOM 540 N GLU A 34 112.174 122.005 11.103 1.00 0.00 N
542
+ ATOM 541 CA GLU A 34 112.478 122.022 12.519 1.00 0.00 C
543
+ ATOM 542 C GLU A 34 112.770 123.424 13.057 1.00 0.00 C
544
+ ATOM 543 O GLU A 34 112.306 123.777 14.144 1.00 0.00 O
545
+ ATOM 544 CB GLU A 34 113.675 121.108 12.817 1.00 0.00 C
546
+ ATOM 545 CG GLU A 34 114.008 121.026 14.294 1.00 0.00 C
547
+ ATOM 546 CD GLU A 34 115.220 120.178 14.571 1.00 0.00 C
548
+ ATOM 547 OE1 GLU A 34 115.134 118.933 14.384 1.00 0.00 O
549
+ ATOM 548 OE2 GLU A 34 116.253 120.765 14.974 1.00 0.00 O
550
+ ATOM 549 H GLU A 34 112.786 121.665 10.604 1.00 0.00 H
551
+ ATOM 550 HA GLU A 34 111.683 121.699 12.971 1.00 0.00 H
552
+ ATOM 551 HB2 GLU A 34 113.485 120.217 12.484 1.00 0.00 H
553
+ ATOM 552 HB3 GLU A 34 114.451 121.432 12.334 1.00 0.00 H
554
+ ATOM 553 HG2 GLU A 34 114.159 121.920 14.638 1.00 0.00 H
555
+ ATOM 554 HG3 GLU A 34 113.247 120.662 14.773 1.00 0.00 H
556
+ ATOM 555 N GLN A 35 113.565 124.194 12.312 1.00 0.00 N
557
+ ATOM 556 CA GLN A 35 113.968 125.552 12.709 1.00 0.00 C
558
+ ATOM 557 C GLN A 35 113.232 126.713 12.028 1.00 0.00 C
559
+ ATOM 558 O GLN A 35 113.588 127.874 12.253 1.00 0.00 O
560
+ ATOM 559 CB GLN A 35 115.484 125.777 12.520 1.00 0.00 C
561
+ ATOM 560 CG GLN A 35 116.405 124.935 13.410 1.00 0.00 C
562
+ ATOM 561 CD GLN A 35 116.060 124.974 14.895 1.00 0.00 C
563
+ ATOM 562 OE1 GLN A 35 115.821 123.924 15.495 1.00 0.00 O
564
+ ATOM 563 NE2 GLN A 35 116.049 126.165 15.500 1.00 0.00 N
565
+ ATOM 564 H GLN A 35 113.890 123.944 11.556 1.00 0.00 H
566
+ ATOM 565 HA GLN A 35 113.713 125.575 13.645 1.00 0.00 H
567
+ ATOM 566 HB2 GLN A 35 115.706 125.597 11.593 1.00 0.00 H
568
+ ATOM 567 HB3 GLN A 35 115.676 126.714 12.681 1.00 0.00 H
569
+ ATOM 568 HG2 GLN A 35 116.375 124.014 13.107 1.00 0.00 H
570
+ ATOM 569 HG3 GLN A 35 117.318 125.242 13.294 1.00 0.00 H
571
+ ATOM 570 HE21 GLN A 35 116.221 126.877 15.050 1.00 0.00 H
572
+ ATOM 571 HE22 GLN A 35 115.870 126.219 16.339 1.00 0.00 H
573
+ ATOM 572 N TRP A 36 112.249 126.409 11.177 1.00 0.00 N
574
+ ATOM 573 CA TRP A 36 111.459 127.430 10.481 1.00 0.00 C
575
+ ATOM 574 C TRP A 36 109.992 127.024 10.571 1.00 0.00 C
576
+ ATOM 575 O TRP A 36 109.590 125.966 10.082 1.00 0.00 O
577
+ ATOM 576 CB TRP A 36 111.884 127.584 9.010 1.00 0.00 C
578
+ ATOM 577 CG TRP A 36 113.230 128.314 8.807 1.00 0.00 C
579
+ ATOM 578 CD1 TRP A 36 114.466 127.737 8.671 1.00 0.00 C
580
+ ATOM 579 CD2 TRP A 36 113.444 129.741 8.731 1.00 0.00 C
581
+ ATOM 580 NE1 TRP A 36 115.435 128.712 8.521 1.00 0.00 N
582
+ ATOM 581 CE2 TRP A 36 114.840 129.946 8.547 1.00 0.00 C
583
+ ATOM 582 CE3 TRP A 36 112.592 130.863 8.793 1.00 0.00 C
584
+ ATOM 583 CZ2 TRP A 36 115.404 131.224 8.423 1.00 0.00 C
585
+ ATOM 584 CZ3 TRP A 36 113.155 132.141 8.669 1.00 0.00 C
586
+ ATOM 585 CH2 TRP A 36 114.550 132.307 8.484 1.00 0.00 C
587
+ ATOM 586 H TRP A 36 112.021 125.602 10.986 1.00 0.00 H
588
+ ATOM 587 HA TRP A 36 111.606 128.291 10.903 1.00 0.00 H
589
+ ATOM 588 HB2 TRP A 36 111.943 126.703 8.608 1.00 0.00 H
590
+ ATOM 589 HB3 TRP A 36 111.191 128.068 8.534 1.00 0.00 H
591
+ ATOM 590 HD1 TRP A 36 114.629 126.821 8.679 1.00 0.00 H
592
+ ATOM 591 HE1 TRP A 36 116.277 128.567 8.426 1.00 0.00 H
593
+ ATOM 592 HE3 TRP A 36 111.676 130.757 8.914 1.00 0.00 H
594
+ ATOM 593 HZ2 TRP A 36 116.319 131.338 8.304 1.00 0.00 H
595
+ ATOM 594 HZ3 TRP A 36 112.605 132.890 8.709 1.00 0.00 H
596
+ ATOM 595 HH2 TRP A 36 114.898 133.165 8.402 1.00 0.00 H
597
+ ATOM 596 N TRP A 37 109.202 127.854 11.237 1.00 0.00 N
598
+ ATOM 597 CA TRP A 37 107.793 127.560 11.433 1.00 0.00 C
599
+ ATOM 598 C TRP A 37 106.927 128.663 10.837 1.00 0.00 C
600
+ ATOM 599 O TRP A 37 107.397 129.803 10.681 1.00 0.00 O
601
+ ATOM 600 CB TRP A 37 107.502 127.483 12.932 1.00 0.00 C
602
+ ATOM 601 CG TRP A 37 108.199 126.370 13.696 1.00 0.00 C
603
+ ATOM 602 CD1 TRP A 37 108.915 125.336 13.170 1.00 0.00 C
604
+ ATOM 603 CD2 TRP A 37 108.257 126.212 15.121 1.00 0.00 C
605
+ ATOM 604 NE1 TRP A 37 109.425 124.544 14.174 1.00 0.00 N
606
+ ATOM 605 CE2 TRP A 37 109.038 125.055 15.384 1.00 0.00 C
607
+ ATOM 606 CE3 TRP A 37 107.729 126.938 16.204 1.00 0.00 C
608
+ ATOM 607 CZ2 TRP A 37 109.304 124.605 16.676 1.00 0.00 C
609
+ ATOM 608 CZ3 TRP A 37 107.996 126.488 17.495 1.00 0.00 C
610
+ ATOM 609 CH2 TRP A 37 108.779 125.331 17.716 1.00 0.00 C
611
+ ATOM 610 H TRP A 37 109.464 128.596 11.584 1.00 0.00 H
612
+ ATOM 611 HA TRP A 37 107.590 126.718 10.996 1.00 0.00 H
613
+ ATOM 612 HB2 TRP A 37 107.750 128.330 13.334 1.00 0.00 H
614
+ ATOM 613 HB3 TRP A 37 106.545 127.381 13.052 1.00 0.00 H
615
+ ATOM 614 HD1 TRP A 37 109.041 125.187 12.261 1.00 0.00 H
616
+ ATOM 615 HE1 TRP A 37 109.908 123.842 14.060 1.00 0.00 H
617
+ ATOM 616 HE3 TRP A 37 107.214 127.699 16.062 1.00 0.00 H
618
+ ATOM 617 HZ2 TRP A 37 109.816 123.844 16.827 1.00 0.00 H
619
+ ATOM 618 HZ3 TRP A 37 107.654 126.955 18.223 1.00 0.00 H
620
+ ATOM 619 HH2 TRP A 37 108.942 125.055 18.589 1.00 0.00 H
621
+ ATOM 620 N ASN A 38 105.680 128.335 10.486 1.00 0.00 N
622
+ ATOM 621 CA ASN A 38 104.781 129.366 9.979 1.00 0.00 C
623
+ ATOM 622 C ASN A 38 104.020 129.869 11.194 1.00 0.00 C
624
+ ATOM 623 O ASN A 38 103.530 129.083 12.008 1.00 0.00 O
625
+ ATOM 624 CB ASN A 38 103.802 128.876 8.905 1.00 0.00 C
626
+ ATOM 625 CG ASN A 38 103.049 130.060 8.216 1.00 0.00 C
627
+ ATOM 626 OD1 ASN A 38 102.034 130.585 8.730 1.00 0.00 O
628
+ ATOM 627 ND2 ASN A 38 103.582 130.509 7.079 1.00 0.00 N
629
+ ATOM 628 H ASN A 38 105.346 127.544 10.533 1.00 0.00 H
630
+ ATOM 629 HA ASN A 38 105.300 130.055 9.536 1.00 0.00 H
631
+ ATOM 630 HB2 ASN A 38 104.286 128.368 8.235 1.00 0.00 H
632
+ ATOM 631 HB3 ASN A 38 103.157 128.274 9.307 1.00 0.00 H
633
+ ATOM 632 HD21 ASN A 38 103.228 131.180 6.674 1.00 0.00 H
634
+ ATOM 633 HD22 ASN A 38 104.279 130.127 6.751 1.00 0.00 H
635
+ ATOM 634 N ALA A 39 103.943 131.183 11.324 1.00 0.00 N
636
+ ATOM 635 CA ALA A 39 103.294 131.809 12.453 1.00 0.00 C
637
+ ATOM 636 C ALA A 39 102.434 132.969 11.988 1.00 0.00 C
638
+ ATOM 637 O ALA A 39 102.501 133.386 10.835 1.00 0.00 O
639
+ ATOM 638 CB ALA A 39 104.374 132.316 13.436 1.00 0.00 C
640
+ ATOM 639 H ALA A 39 104.269 131.738 10.754 1.00 0.00 H
641
+ ATOM 640 HA ALA A 39 102.724 131.162 12.897 1.00 0.00 H
642
+ ATOM 641 HB1 ALA A 39 103.946 132.738 14.197 1.00 0.00 H
643
+ ATOM 642 HB2 ALA A 39 104.911 131.568 13.741 1.00 0.00 H
644
+ ATOM 643 HB3 ALA A 39 104.943 132.961 12.987 1.00 0.00 H
645
+ ATOM 644 N GLU A 40 101.647 133.510 12.909 1.00 0.00 N
646
+ ATOM 645 CA GLU A 40 100.777 134.631 12.599 1.00 0.00 C
647
+ ATOM 646 C GLU A 40 100.973 135.724 13.650 1.00 0.00 C
648
+ ATOM 647 O GLU A 40 101.119 135.426 14.850 1.00 0.00 O
649
+ ATOM 648 CB GLU A 40 99.324 134.165 12.592 1.00 0.00 C
650
+ ATOM 649 CG GLU A 40 98.359 135.322 12.628 1.00 0.00 C
651
+ ATOM 650 CD GLU A 40 96.923 134.890 12.663 1.00 0.00 C
652
+ ATOM 651 OE1 GLU A 40 96.365 134.725 11.568 1.00 0.00 O
653
+ ATOM 652 OE2 GLU A 40 96.366 134.733 13.754 1.00 0.00 O
654
+ ATOM 653 H GLU A 40 101.603 133.239 13.724 1.00 0.00 H
655
+ ATOM 654 HA GLU A 40 100.997 134.985 11.723 1.00 0.00 H
656
+ ATOM 655 HB2 GLU A 40 99.160 133.633 11.798 1.00 0.00 H
657
+ ATOM 656 HB3 GLU A 40 99.166 133.590 13.357 1.00 0.00 H
658
+ ATOM 657 HG2 GLU A 40 98.546 135.868 13.408 1.00 0.00 H
659
+ ATOM 658 HG3 GLU A 40 98.504 135.881 11.849 1.00 0.00 H
660
+ ATOM 659 N ASP A 41 100.975 136.985 13.233 1.00 0.00 N
661
+ ATOM 660 CA ASP A 41 101.179 138.035 14.211 1.00 0.00 C
662
+ ATOM 661 C ASP A 41 99.872 138.627 14.735 1.00 0.00 C
663
+ ATOM 662 O ASP A 41 98.783 138.198 14.327 1.00 0.00 O
664
+ ATOM 663 CB ASP A 41 102.153 139.100 13.679 1.00 0.00 C
665
+ ATOM 664 CG ASP A 41 101.584 139.938 12.539 1.00 0.00 C
666
+ ATOM 665 OD1 ASP A 41 100.356 139.993 12.346 1.00 0.00 O
667
+ ATOM 666 OD2 ASP A 41 102.406 140.580 11.859 1.00 0.00 O
668
+ ATOM 667 H ASP A 41 100.864 137.244 12.420 1.00 0.00 H
669
+ ATOM 668 HA ASP A 41 101.595 137.628 14.987 1.00 0.00 H
670
+ ATOM 669 HB2 ASP A 41 102.405 139.689 14.408 1.00 0.00 H
671
+ ATOM 670 HB3 ASP A 41 102.963 138.662 13.375 1.00 0.00 H
672
+ ATOM 671 N SER A 42 99.966 139.590 15.652 1.00 0.00 N
673
+ ATOM 672 CA SER A 42 98.763 140.188 16.235 1.00 0.00 C
674
+ ATOM 673 C SER A 42 97.889 140.878 15.203 1.00 0.00 C
675
+ ATOM 674 O SER A 42 96.713 141.152 15.473 1.00 0.00 O
676
+ ATOM 675 CB SER A 42 99.120 141.153 17.375 1.00 0.00 C
677
+ ATOM 676 OG SER A 42 99.690 142.347 16.856 1.00 0.00 O
678
+ ATOM 677 H SER A 42 100.708 139.909 15.948 1.00 0.00 H
679
+ ATOM 678 HA SER A 42 98.243 139.455 16.600 1.00 0.00 H
680
+ ATOM 679 HB2 SER A 42 98.324 141.364 17.888 1.00 0.00 H
681
+ ATOM 680 HB3 SER A 42 99.745 140.727 17.983 1.00 0.00 H
682
+ ATOM 681 HG SER A 42 99.879 142.866 17.489 1.00 0.00 H
683
+ ATOM 682 N GLU A 43 98.450 141.197 14.037 1.00 0.00 N
684
+ ATOM 683 CA GLU A 43 97.655 141.832 12.995 1.00 0.00 C
685
+ ATOM 684 C GLU A 43 97.040 140.823 12.017 1.00 0.00 C
686
+ ATOM 685 O GLU A 43 96.310 141.211 11.089 1.00 0.00 O
687
+ ATOM 686 CB GLU A 43 98.475 142.872 12.231 1.00 0.00 C
688
+ ATOM 687 CG GLU A 43 98.873 144.062 13.043 1.00 0.00 C
689
+ ATOM 688 CD GLU A 43 99.503 145.119 12.184 1.00 0.00 C
690
+ ATOM 689 OE1 GLU A 43 100.481 144.836 11.460 1.00 0.00 O
691
+ ATOM 690 OE2 GLU A 43 98.990 146.237 12.211 1.00 0.00 O
692
+ ATOM 691 H GLU A 43 99.274 141.056 13.834 1.00 0.00 H
693
+ ATOM 692 HA GLU A 43 96.922 142.277 13.449 1.00 0.00 H
694
+ ATOM 693 HB2 GLU A 43 99.276 142.447 11.886 1.00 0.00 H
695
+ ATOM 694 HB3 GLU A 43 97.962 143.174 11.465 1.00 0.00 H
696
+ ATOM 695 HG2 GLU A 43 98.093 144.427 13.490 1.00 0.00 H
697
+ ATOM 696 HG3 GLU A 43 99.496 143.791 13.735 1.00 0.00 H
698
+ ATOM 697 N GLY A 44 97.303 139.537 12.251 1.00 0.00 N
699
+ ATOM 698 CA GLY A 44 96.790 138.486 11.381 1.00 0.00 C
700
+ ATOM 699 C GLY A 44 97.692 138.140 10.211 1.00 0.00 C
701
+ ATOM 700 O GLY A 44 97.327 137.304 9.384 1.00 0.00 O
702
+ ATOM 701 H GLY A 44 97.778 139.255 12.910 1.00 0.00 H
703
+ ATOM 702 HA2 GLY A 44 96.645 137.686 11.910 1.00 0.00 H
704
+ ATOM 703 HA3 GLY A 44 95.925 138.760 11.038 1.00 0.00 H
705
+ ATOM 704 N LYS A 45 98.848 138.802 10.109 1.00 0.00 N
706
+ ATOM 705 CA LYS A 45 99.791 138.539 9.018 1.00 0.00 C
707
+ ATOM 706 C LYS A 45 100.527 137.234 9.275 1.00 0.00 C
708
+ ATOM 707 O LYS A 45 100.892 136.932 10.414 1.00 0.00 O
709
+ ATOM 708 CB LYS A 45 100.805 139.667 8.882 1.00 0.00 C
710
+ ATOM 709 CG LYS A 45 100.194 141.021 8.559 1.00 0.00 C
711
+ ATOM 710 CD LYS A 45 100.964 142.124 9.240 1.00 0.00 C
712
+ ATOM 711 CE LYS A 45 102.472 141.964 9.031 1.00 0.00 C
713
+ ATOM 712 NZ LYS A 45 103.236 142.684 10.080 1.00 0.00 N
714
+ ATOM 713 H LYS A 45 99.105 139.408 10.662 1.00 0.00 H
715
+ ATOM 714 HA LYS A 45 99.284 138.477 8.193 1.00 0.00 H
716
+ ATOM 715 HB2 LYS A 45 101.306 139.739 9.709 1.00 0.00 H
717
+ ATOM 716 HB3 LYS A 45 101.439 139.436 8.186 1.00 0.00 H
718
+ ATOM 717 HG2 LYS A 45 100.196 141.162 7.599 1.00 0.00 H
719
+ ATOM 718 HG3 LYS A 45 99.268 141.041 8.846 1.00 0.00 H
720
+ ATOM 719 HD2 LYS A 45 100.677 142.983 8.893 1.00 0.00 H
721
+ ATOM 720 HD3 LYS A 45 100.765 142.121 10.189 1.00 0.00 H
722
+ ATOM 721 HE2 LYS A 45 102.705 141.023 9.045 1.00 0.00 H
723
+ ATOM 722 HE3 LYS A 45 102.718 142.304 8.157 1.00 0.00 H
724
+ ATOM 723 HZ1 LYS A 45 103.959 142.213 10.297 1.00 0.00 H
725
+ ATOM 724 HZ2 LYS A 45 103.483 143.482 9.773 1.00 0.00 H
726
+ ATOM 725 HZ3 LYS A 45 102.724 142.790 10.800 1.00 0.00 H
727
+ ATOM 726 N ARG A 46 100.774 136.489 8.203 1.00 0.00 N
728
+ ATOM 727 CA ARG A 46 101.438 135.198 8.299 1.00 0.00 C
729
+ ATOM 728 C ARG A 46 102.780 135.163 7.589 1.00 0.00 C
730
+ ATOM 729 O ARG A 46 102.989 135.852 6.583 1.00 0.00 O
731
+ ATOM 730 CB ARG A 46 100.571 134.123 7.661 1.00 0.00 C
732
+ ATOM 731 CG ARG A 46 99.222 133.925 8.268 1.00 0.00 C
733
+ ATOM 732 CD ARG A 46 98.405 133.060 7.320 1.00 0.00 C
734
+ ATOM 733 NE ARG A 46 97.075 132.775 7.845 1.00 0.00 N
735
+ ATOM 734 CZ ARG A 46 96.169 131.996 7.249 1.00 0.00 C
736
+ ATOM 735 NH1 ARG A 46 96.437 131.408 6.079 1.00 0.00 N
737
+ ATOM 736 NH2 ARG A 46 95.005 131.778 7.837 1.00 0.00 N
738
+ ATOM 737 H ARG A 46 100.561 136.718 7.402 1.00 0.00 H
739
+ ATOM 738 HA ARG A 46 101.580 135.041 9.246 1.00 0.00 H
740
+ ATOM 739 HB2 ARG A 46 100.455 134.341 6.723 1.00 0.00 H
741
+ ATOM 740 HB3 ARG A 46 101.050 133.281 7.700 1.00 0.00 H
742
+ ATOM 741 HG2 ARG A 46 99.299 133.498 9.136 1.00 0.00 H
743
+ ATOM 742 HG3 ARG A 46 98.785 134.779 8.410 1.00 0.00 H
744
+ ATOM 743 HD2 ARG A 46 98.324 133.508 6.464 1.00 0.00 H
745
+ ATOM 744 HD3 ARG A 46 98.874 132.226 7.160 1.00 0.00 H
746
+ ATOM 745 HE ARG A 46 96.858 133.136 8.595 1.00 0.00 H
747
+ ATOM 746 HH11 ARG A 46 97.200 131.529 5.702 1.00 0.00 H
748
+ ATOM 747 HH12 ARG A 46 95.846 130.908 5.704 1.00 0.00 H
749
+ ATOM 748 HH21 ARG A 46 94.834 132.137 8.600 1.00 0.00 H
750
+ ATOM 749 HH22 ARG A 46 94.418 131.277 7.457 1.00 0.00 H
751
+ ATOM 750 N GLY A 47 103.653 134.286 8.065 1.00 0.00 N
752
+ ATOM 751 CA GLY A 47 104.942 134.131 7.435 1.00 0.00 C
753
+ ATOM 752 C GLY A 47 105.793 133.153 8.182 1.00 0.00 C
754
+ ATOM 753 O GLY A 47 105.386 132.678 9.233 1.00 0.00 O
755
+ ATOM 754 H GLY A 47 103.516 133.778 8.745 1.00 0.00 H
756
+ ATOM 755 HA2 GLY A 47 104.824 133.829 6.521 1.00 0.00 H
757
+ ATOM 756 HA3 GLY A 47 105.391 134.990 7.395 1.00 0.00 H
758
+ ATOM 757 N MET A 48 106.989 132.894 7.663 1.00 0.00 N
759
+ ATOM 758 CA MET A 48 107.925 131.962 8.283 1.00 0.00 C
760
+ ATOM 759 C MET A 48 108.751 132.692 9.311 1.00 0.00 C
761
+ ATOM 760 O MET A 48 109.114 133.857 9.108 1.00 0.00 O
762
+ ATOM 761 CB MET A 48 108.883 131.405 7.230 1.00 0.00 C
763
+ ATOM 762 CG MET A 48 108.179 130.715 6.120 1.00 0.00 C
764
+ ATOM 763 SD MET A 48 107.437 129.252 6.850 1.00 0.00 S
765
+ ATOM 764 CE MET A 48 108.910 128.191 6.848 1.00 0.00 C
766
+ ATOM 765 H MET A 48 107.281 133.255 6.939 1.00 0.00 H
767
+ ATOM 766 HA MET A 48 107.419 131.243 8.692 1.00 0.00 H
768
+ ATOM 767 HB2 MET A 48 109.416 132.130 6.868 1.00 0.00 H
769
+ ATOM 768 HB3 MET A 48 109.497 130.785 7.653 1.00 0.00 H
770
+ ATOM 769 HG2 MET A 48 107.503 131.289 5.726 1.00 0.00 H
771
+ ATOM 770 HG3 MET A 48 108.796 130.476 5.411 1.00 0.00 H
772
+ ATOM 771 HE1 MET A 48 108.686 127.325 7.223 1.00 0.00 H
773
+ ATOM 772 HE2 MET A 48 109.225 128.077 5.938 1.00 0.00 H
774
+ ATOM 773 HE3 MET A 48 109.607 128.604 7.382 1.00 0.00 H
775
+ ATOM 774 N ILE A 49 109.069 132.004 10.402 1.00 0.00 N
776
+ ATOM 775 CA ILE A 49 109.885 132.589 11.459 1.00 0.00 C
777
+ ATOM 776 C ILE A 49 110.974 131.613 11.934 1.00 0.00 C
778
+ ATOM 777 O ILE A 49 110.771 130.382 11.977 1.00 0.00 O
779
+ ATOM 778 CB ILE A 49 109.030 133.047 12.688 1.00 0.00 C
780
+ ATOM 779 CG1 ILE A 49 108.313 131.841 13.335 1.00 0.00 C
781
+ ATOM 780 CG2 ILE A 49 108.062 134.138 12.247 1.00 0.00 C
782
+ ATOM 781 CD1 ILE A 49 107.938 132.022 14.815 1.00 0.00 C
783
+ ATOM 782 H ILE A 49 108.821 131.194 10.550 1.00 0.00 H
784
+ ATOM 783 HA ILE A 49 110.304 133.373 11.070 1.00 0.00 H
785
+ ATOM 784 HB ILE A 49 109.608 133.420 13.372 1.00 0.00 H
786
+ ATOM 785 HG12 ILE A 49 107.505 131.655 12.832 1.00 0.00 H
787
+ ATOM 786 HG13 ILE A 49 108.884 131.061 13.254 1.00 0.00 H
788
+ ATOM 787 HG21 ILE A 49 107.530 134.425 13.006 1.00 0.00 H
789
+ ATOM 788 HG22 ILE A 49 108.562 134.893 11.899 1.00 0.00 H
790
+ ATOM 789 HG23 ILE A 49 107.477 133.792 11.555 1.00 0.00 H
791
+ ATOM 790 HD11 ILE A 49 107.495 131.221 15.137 1.00 0.00 H
792
+ ATOM 791 HD12 ILE A 49 108.741 132.178 15.336 1.00 0.00 H
793
+ ATOM 792 HD13 ILE A 49 107.341 132.781 14.907 1.00 0.00 H
794
+ ATOM 793 N PRO A 50 112.158 132.149 12.242 1.00 0.00 N
795
+ ATOM 794 CA PRO A 50 113.277 131.331 12.715 1.00 0.00 C
796
+ ATOM 795 C PRO A 50 113.097 130.979 14.211 1.00 0.00 C
797
+ ATOM 796 O PRO A 50 113.008 131.855 15.086 1.00 0.00 O
798
+ ATOM 797 CB PRO A 50 114.494 132.236 12.460 1.00 0.00 C
799
+ ATOM 798 CG PRO A 50 113.946 133.610 12.724 1.00 0.00 C
800
+ ATOM 799 CD PRO A 50 112.532 133.574 12.123 1.00 0.00 C
801
+ ATOM 800 HA PRO A 50 113.360 130.474 12.269 1.00 0.00 H
802
+ ATOM 801 HB2 PRO A 50 115.232 132.023 13.052 1.00 0.00 H
803
+ ATOM 802 HB3 PRO A 50 114.824 132.148 11.552 1.00 0.00 H
804
+ ATOM 803 HG2 PRO A 50 113.922 133.806 13.674 1.00 0.00 H
805
+ ATOM 804 HG3 PRO A 50 114.491 134.295 12.307 1.00 0.00 H
806
+ ATOM 805 HD2 PRO A 50 111.920 134.148 12.610 1.00 0.00 H
807
+ ATOM 806 HD3 PRO A 50 112.526 133.871 11.200 1.00 0.00 H
808
+ ATOM 807 N VAL A 51 113.044 129.683 14.487 1.00 0.00 N
809
+ ATOM 808 CA VAL A 51 112.870 129.176 15.836 1.00 0.00 C
810
+ ATOM 809 C VAL A 51 113.851 129.708 16.909 1.00 0.00 C
811
+ ATOM 810 O VAL A 51 113.468 129.946 18.068 1.00 0.00 O
812
+ ATOM 811 CB VAL A 51 112.819 127.637 15.801 1.00 0.00 C
813
+ ATOM 812 CG1 VAL A 51 112.875 127.059 17.224 1.00 0.00 C
814
+ ATOM 813 CG2 VAL A 51 111.547 127.194 15.052 1.00 0.00 C
815
+ ATOM 814 H VAL A 51 113.109 129.068 13.889 1.00 0.00 H
816
+ ATOM 815 HA VAL A 51 112.022 129.536 16.141 1.00 0.00 H
817
+ ATOM 816 HB VAL A 51 113.593 127.293 15.327 1.00 0.00 H
818
+ ATOM 817 HG11 VAL A 51 112.842 126.090 17.182 1.00 0.00 H
819
+ ATOM 818 HG12 VAL A 51 113.700 127.335 17.654 1.00 0.00 H
820
+ ATOM 819 HG13 VAL A 51 112.119 127.386 17.736 1.00 0.00 H
821
+ ATOM 820 HG21 VAL A 51 111.508 126.225 15.026 1.00 0.00 H
822
+ ATOM 821 HG22 VAL A 51 110.765 127.537 15.512 1.00 0.00 H
823
+ ATOM 822 HG23 VAL A 51 111.567 127.541 14.146 1.00 0.00 H
824
+ ATOM 823 N PRO A 52 115.134 129.871 16.560 1.00 0.00 N
825
+ ATOM 824 CA PRO A 52 116.086 130.384 17.561 1.00 0.00 C
826
+ ATOM 825 C PRO A 52 115.754 131.801 18.103 1.00 0.00 C
827
+ ATOM 826 O PRO A 52 116.211 132.182 19.173 1.00 0.00 O
828
+ ATOM 827 CB PRO A 52 117.395 130.391 16.782 1.00 0.00 C
829
+ ATOM 828 CG PRO A 52 117.229 129.163 15.862 1.00 0.00 C
830
+ ATOM 829 CD PRO A 52 115.837 129.408 15.344 1.00 0.00 C
831
+ ATOM 830 HA PRO A 52 116.086 129.841 18.365 1.00 0.00 H
832
+ ATOM 831 HB2 PRO A 52 117.512 131.210 16.276 1.00 0.00 H
833
+ ATOM 832 HB3 PRO A 52 118.165 130.306 17.366 1.00 0.00 H
834
+ ATOM 833 HG2 PRO A 52 117.890 129.140 15.152 1.00 0.00 H
835
+ ATOM 834 HG3 PRO A 52 117.302 128.325 16.345 1.00 0.00 H
836
+ ATOM 835 HD2 PRO A 52 115.824 130.076 14.640 1.00 0.00 H
837
+ ATOM 836 HD3 PRO A 52 115.439 128.603 14.979 1.00 0.00 H
838
+ ATOM 837 N TYR A 53 114.928 132.554 17.373 1.00 0.00 N
839
+ ATOM 838 CA TYR A 53 114.568 133.920 17.751 1.00 0.00 C
840
+ ATOM 839 C TYR A 53 113.342 134.014 18.652 1.00 0.00 C
841
+ ATOM 840 O TYR A 53 112.900 135.122 18.997 1.00 0.00 O
842
+ ATOM 841 CB TYR A 53 114.299 134.749 16.493 1.00 0.00 C
843
+ ATOM 842 CG TYR A 53 115.533 135.232 15.791 1.00 0.00 C
844
+ ATOM 843 CD1 TYR A 53 116.497 134.326 15.292 1.00 0.00 C
845
+ ATOM 844 CD2 TYR A 53 115.788 136.607 15.680 1.00 0.00 C
846
+ ATOM 845 CE1 TYR A 53 117.687 134.803 14.703 1.00 0.00 C
847
+ ATOM 846 CE2 TYR A 53 116.963 137.091 15.110 1.00 0.00 C
848
+ ATOM 847 CZ TYR A 53 117.904 136.188 14.635 1.00 0.00 C
849
+ ATOM 848 OH TYR A 53 119.071 136.683 14.137 1.00 0.00 O
850
+ ATOM 849 H TYR A 53 114.561 132.285 16.643 1.00 0.00 H
851
+ ATOM 850 HA TYR A 53 115.324 134.261 18.255 1.00 0.00 H
852
+ ATOM 851 HB2 TYR A 53 113.776 134.216 15.874 1.00 0.00 H
853
+ ATOM 852 HB3 TYR A 53 113.757 135.516 16.735 1.00 0.00 H
854
+ ATOM 853 HD1 TYR A 53 116.346 133.410 15.352 1.00 0.00 H
855
+ ATOM 854 HD2 TYR A 53 115.156 137.211 15.995 1.00 0.00 H
856
+ ATOM 855 HE1 TYR A 53 118.318 134.209 14.365 1.00 0.00 H
857
+ ATOM 856 HE2 TYR A 53 117.115 138.006 15.049 1.00 0.00 H
858
+ ATOM 857 HH TYR A 53 119.047 137.523 14.147 1.00 0.00 H
859
+ ATOM 858 N VAL A 54 112.754 132.867 18.975 1.00 0.00 N
860
+ ATOM 859 CA VAL A 54 111.561 132.840 19.816 1.00 0.00 C
861
+ ATOM 860 C VAL A 54 111.656 131.869 20.992 1.00 0.00 C
862
+ ATOM 861 O VAL A 54 112.465 130.936 20.979 1.00 0.00 O
863
+ ATOM 862 CB VAL A 54 110.284 132.436 18.998 1.00 0.00 C
864
+ ATOM 863 CG1 VAL A 54 110.123 133.330 17.768 1.00 0.00 C
865
+ ATOM 864 CG2 VAL A 54 110.343 130.968 18.602 1.00 0.00 C
866
+ ATOM 865 H VAL A 54 113.029 132.094 18.718 1.00 0.00 H
867
+ ATOM 866 HA VAL A 54 111.493 133.746 20.156 1.00 0.00 H
868
+ ATOM 867 HB VAL A 54 109.506 132.564 19.564 1.00 0.00 H
869
+ ATOM 868 HG11 VAL A 54 109.330 133.065 17.277 1.00 0.00 H
870
+ ATOM 869 HG12 VAL A 54 110.035 134.254 18.049 1.00 0.00 H
871
+ ATOM 870 HG13 VAL A 54 110.902 133.239 17.197 1.00 0.00 H
872
+ ATOM 871 HG21 VAL A 54 109.547 130.736 18.098 1.00 0.00 H
873
+ ATOM 872 HG22 VAL A 54 111.129 130.812 18.055 1.00 0.00 H
874
+ ATOM 873 HG23 VAL A 54 110.391 130.419 19.400 1.00 0.00 H
875
+ ATOM 874 N GLU A 55 110.821 132.120 22.000 1.00 0.00 N
876
+ ATOM 875 CA GLU A 55 110.719 131.266 23.162 1.00 0.00 C
877
+ ATOM 876 C GLU A 55 109.223 130.899 23.296 1.00 0.00 C
878
+ ATOM 877 O GLU A 55 108.331 131.636 22.853 1.00 0.00 O
879
+ ATOM 878 CB GLU A 55 111.206 131.986 24.419 1.00 0.00 C
880
+ ATOM 879 CG GLU A 55 110.320 133.139 24.871 1.00 0.00 C
881
+ ATOM 880 CD GLU A 55 110.750 133.754 26.210 1.00 0.00 C
882
+ ATOM 881 OE1 GLU A 55 111.681 133.228 26.855 1.00 0.00 O
883
+ ATOM 882 OE2 GLU A 55 110.160 134.778 26.621 1.00 0.00 O
884
+ ATOM 883 H GLU A 55 110.296 132.800 22.021 1.00 0.00 H
885
+ ATOM 884 HA GLU A 55 111.273 130.476 23.061 1.00 0.00 H
886
+ ATOM 885 HB2 GLU A 55 111.272 131.342 25.141 1.00 0.00 H
887
+ ATOM 886 HB3 GLU A 55 112.101 132.325 24.258 1.00 0.00 H
888
+ ATOM 887 HG2 GLU A 55 110.327 133.829 24.189 1.00 0.00 H
889
+ ATOM 888 HG3 GLU A 55 109.406 132.824 24.947 1.00 0.00 H
890
+ ATOM 889 N LYS A 56 108.949 129.731 23.854 1.00 0.00 N
891
+ ATOM 890 CA LYS A 56 107.575 129.327 24.056 1.00 0.00 C
892
+ ATOM 891 C LYS A 56 106.889 130.329 24.993 1.00 0.00 C
893
+ ATOM 892 O LYS A 56 107.519 130.924 25.881 1.00 0.00 O
894
+ ATOM 893 CB LYS A 56 107.528 127.951 24.718 1.00 0.00 C
895
+ ATOM 894 CG LYS A 56 108.186 126.873 23.936 1.00 0.00 C
896
+ ATOM 895 CD LYS A 56 107.977 125.527 24.592 1.00 0.00 C
897
+ ATOM 896 CE LYS A 56 108.723 124.470 23.803 1.00 0.00 C
898
+ ATOM 897 NZ LYS A 56 108.402 123.070 24.182 1.00 0.00 N
899
+ ATOM 898 H LYS A 56 109.539 129.164 24.120 1.00 0.00 H
900
+ ATOM 899 HA LYS A 56 107.127 129.297 23.196 1.00 0.00 H
901
+ ATOM 900 HB2 LYS A 56 107.951 128.008 25.589 1.00 0.00 H
902
+ ATOM 901 HB3 LYS A 56 106.601 127.708 24.868 1.00 0.00 H
903
+ ATOM 902 HG2 LYS A 56 107.828 126.857 23.035 1.00 0.00 H
904
+ ATOM 903 HG3 LYS A 56 109.136 127.056 23.860 1.00 0.00 H
905
+ ATOM 904 HD2 LYS A 56 108.296 125.548 25.508 1.00 0.00 H
906
+ ATOM 905 HD3 LYS A 56 107.031 125.314 24.626 1.00 0.00 H
907
+ ATOM 906 HE2 LYS A 56 108.528 124.590 22.860 1.00 0.00 H
908
+ ATOM 907 HE3 LYS A 56 109.676 124.612 23.916 1.00 0.00 H
909
+ ATOM 908 HZ1 LYS A 56 108.424 122.554 23.458 1.00 0.00 H
910
+ ATOM 909 HZ2 LYS A 56 109.000 122.778 24.773 1.00 0.00 H
911
+ ATOM 910 HZ3 LYS A 56 107.589 123.039 24.543 1.00 0.00 H
912
+ ATOM 911 N TYR A 57 105.593 130.511 24.796 1.00 0.00 N
913
+ ATOM 912 CA TYR A 57 104.825 131.404 25.639 1.00 0.00 C
914
+ ATOM 913 C TYR A 57 103.760 130.550 26.353 1.00 0.00 C
915
+ ATOM 914 CB TYR A 57 104.182 132.504 24.780 1.00 0.00 C
916
+ ATOM 915 CG TYR A 57 103.225 133.413 25.516 1.00 0.00 C
917
+ ATOM 916 CD1 TYR A 57 101.891 133.051 25.693 1.00 0.00 C
918
+ ATOM 917 CD2 TYR A 57 103.653 134.642 26.031 1.00 0.00 C
919
+ ATOM 918 CE1 TYR A 57 101.008 133.889 26.360 1.00 0.00 C
920
+ ATOM 919 CE2 TYR A 57 102.776 135.492 26.703 1.00 0.00 C
921
+ ATOM 920 CZ TYR A 57 101.456 135.107 26.863 1.00 0.00 C
922
+ ATOM 921 OH TYR A 57 100.580 135.934 27.531 1.00 0.00 O
923
+ ATOM 922 H TYR A 57 105.139 130.124 24.176 1.00 0.00 H
924
+ ATOM 923 HA TYR A 57 105.387 131.845 26.296 1.00 0.00 H
925
+ ATOM 924 HB2 TYR A 57 104.887 133.046 24.392 1.00 0.00 H
926
+ ATOM 925 HB3 TYR A 57 103.708 132.085 24.045 1.00 0.00 H
927
+ ATOM 926 HD1 TYR A 57 101.588 132.237 25.360 1.00 0.00 H
928
+ ATOM 927 HD2 TYR A 57 104.541 134.897 25.923 1.00 0.00 H
929
+ ATOM 928 HE1 TYR A 57 100.120 133.637 26.470 1.00 0.00 H
930
+ ATOM 929 HE2 TYR A 57 103.074 136.306 27.039 1.00 0.00 H
931
+ ATOM 930 HH TYR A 57 99.794 135.661 27.416 1.00 0.00 H
932
+ ATOM 931 O TYR A 57 102.694 130.236 27.044 1.00 0.00 O
933
+ ATOM 932 OXT TYR A 57 102.878 131.252 26.881 1.00 0.00 O
934
+ TER 933 TYR A 57
935
+ END
1eoj/1eoj_ligand.mol2 ADDED
@@ -0,0 +1,486 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1eoj_ligand
7
+ 233 237 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 15.3350 14.1640 22.4430 N.4 1 ARG 0.2379
14
+ 2 CA 15.5110 15.2400 21.2940 C.3 1 ARG 0.0653
15
+ 3 C 16.5170 16.3800 21.5520 C.2 1 ARG 0.2292
16
+ 4 O 16.6420 16.8230 22.7140 O.2 1 ARG -0.3905
17
+ 5 CB 14.1570 15.8090 20.9420 C.3 1 ARG 0.0110
18
+ 6 CG 13.6010 16.6040 22.1150 C.3 1 ARG -0.0125
19
+ 7 CD 12.2250 17.1540 21.7620 C.3 1 ARG 0.0629
20
+ 8 NE 11.4820 17.7290 22.9060 N.pl3 1 ARG -0.2723
21
+ 9 CZ 11.7140 18.9240 23.4350 C.cat 1 ARG 0.2882
22
+ 10 NH1 12.6660 19.6990 22.9300 N.pl3 1 ARG -0.2849
23
+ 11 NH2 11.0170 19.3240 24.4720 N.pl3 1 ARG -0.2849
24
+ 12 N1 17.3210 16.8250 20.5690 N.am 1 CPI -0.2471
25
+ 13 C2 18.0850 18.0750 20.7670 C.3 1 CPI 0.0369
26
+ 14 C3 19.5010 17.6610 20.7560 C.3 1 CPI -0.0321
27
+ 15 C4 19.6740 17.3120 19.4030 C.3 1 CPI -0.0470
28
+ 16 C5 18.8930 16.1650 18.9230 C.3 1 CPI -0.0121
29
+ 17 C6 17.3770 16.3170 19.1930 C.3 1 CPI 0.1338
30
+ 18 C 16.6800 17.3050 18.2450 C.2 1 CPI 0.2042
31
+ 19 O1 15.8700 18.0690 18.7110 O.2 1 CPI -0.3944
32
+ 20 N 17.0010 17.3000 16.9430 N.am 1 TIH -0.2617
33
+ 21 CA 16.2970 18.1940 16.0220 C.3 1 TIH 0.1420
34
+ 22 C 15.6580 17.4070 14.8700 C.2 1 TIH 0.2040
35
+ 23 O 15.8500 16.1880 14.7750 O.2 1 TIH -0.3943
36
+ 24 CB 17.1850 19.3420 15.5220 C.3 1 TIH 0.0330
37
+ 25 CG 18.4200 18.9060 14.7620 C.2 1 TIH 0.0166
38
+ 26 CD 18.7150 19.2650 13.4540 C.2 1 TIH -0.0815
39
+ 27 CE1 20.0300 18.8360 13.0200 C.2 1 TIH -0.0932
40
+ 28 CE2 20.7420 18.1300 14.0190 C.2 1 TIH -0.0196
41
+ 29 SD 19.7110 18.0740 15.3800 S.3 1 TIH -0.0442
42
+ 30 N 14.8790 18.0830 14.0270 N.am 1 DOA -0.2849
43
+ 31 CA 14.1810 17.4840 12.8910 C.3 1 DOA 0.0310
44
+ 32 C2 14.4840 18.1530 11.5700 C.3 1 DOA -0.0327
45
+ 33 C3 13.2690 18.1360 10.6350 C.3 1 DOA -0.0512
46
+ 34 C4 13.1540 16.8750 9.7610 C.3 1 DOA -0.0530
47
+ 35 C5 12.0580 17.0340 8.6720 C.3 1 DOA -0.0531
48
+ 36 C6 11.7840 15.7170 7.9300 C.3 1 DOA -0.0531
49
+ 37 C7 10.6010 15.7900 6.9350 C.3 1 DOA -0.0531
50
+ 38 C8 10.9710 16.4690 5.6060 C.3 1 DOA -0.0529
51
+ 39 C9 9.9470 16.2000 4.4770 C.3 1 DOA -0.0510
52
+ 40 C10 10.3160 16.9830 3.2000 C.3 1 DOA -0.0361
53
+ 41 CA2 9.6540 16.4440 1.9160 C.3 1 DOA 0.0374
54
+ 42 C 8.3130 17.0920 1.5830 C.2 1 DOA 0.1783
55
+ 43 O 8.0640 17.4730 0.4360 O.2 1 DOA -0.3969
56
+ 44 N 7.4550 17.2130 2.5890 N.am 1 ASP -0.2641
57
+ 45 CA 6.1220 17.7970 2.4590 C.3 1 ASP 0.1422
58
+ 46 C 6.1300 19.2300 1.8990 C.2 1 ASP 0.2057
59
+ 47 O 5.1350 19.7060 1.3630 O.2 1 ASP -0.3943
60
+ 48 CB 5.4860 17.8030 3.8550 C.3 1 ASP 0.0406
61
+ 49 CG 3.9760 17.9080 3.8240 C.2 1 ASP 0.0393
62
+ 50 OD1 3.3640 17.6440 4.8790 O.co2 1 ASP -0.5688
63
+ 51 OD2 3.3940 18.2460 2.7700 O.co2 1 ASP -0.5688
64
+ 52 N 7.2770 19.8850 1.9940 N.am 1 TYR -0.2620
65
+ 53 CA 7.4420 21.2730 1.5770 C.3 1 TYR 0.1390
66
+ 54 C 7.3160 21.6180 0.1020 C.2 1 TYR 0.2057
67
+ 55 O 7.7780 20.8670 -0.7630 O.2 1 TYR -0.3942
68
+ 56 CB 8.7610 21.8050 2.1540 C.3 1 TYR 0.0163
69
+ 57 CG 8.7860 21.6430 3.6550 C.ar 1 TYR -0.0493
70
+ 58 CD1 9.2100 20.4470 4.2380 C.ar 1 TYR -0.0685
71
+ 59 CD2 8.2400 22.6200 4.4850 C.ar 1 TYR -0.0685
72
+ 60 CE1 9.0680 20.2220 5.5970 C.ar 1 TYR -0.0398
73
+ 61 CE2 8.0970 22.4050 5.8500 C.ar 1 TYR -0.0398
74
+ 62 CZ 8.5060 21.2020 6.3970 C.ar 1 TYR 0.0805
75
+ 63 OH 8.3040 20.9560 7.7340 O.3 1 TYR -0.3376
76
+ 64 N 6.6460 22.7400 -0.1670 N.am 1 GLU -0.2635
77
+ 65 CA 6.4590 23.2500 -1.5260 C.3 1 GLU 0.1327
78
+ 66 C 7.7460 23.9080 -1.9980 C.2 1 GLU 0.2065
79
+ 67 O 8.3290 24.7370 -1.2970 O.2 1 GLU -0.3942
80
+ 68 CB 5.3390 24.2980 -1.5790 C.3 1 GLU -0.0008
81
+ 69 CG 5.3650 25.1750 -2.8380 C.3 1 GLU 0.0044
82
+ 70 CD 4.3970 26.3390 -2.8170 C.2 1 GLU 0.0350
83
+ 71 OE1 4.7090 27.3980 -3.3940 O.co2 1 GLU -0.5690
84
+ 72 OE2 3.3140 26.2010 -2.2330 O.co2 1 GLU -0.5690
85
+ 73 N 8.2100 23.5500 -3.2010 N.am 1 PRO -0.2498
86
+ 74 CA 9.4420 24.1540 -3.7050 C.3 1 PRO 0.1338
87
+ 75 C 9.3900 25.6800 -3.6420 C.2 1 PRO 0.2041
88
+ 76 O 8.3530 26.2890 -3.8760 O.2 1 PRO -0.3944
89
+ 77 CB 9.4930 23.6480 -5.1400 C.3 1 PRO -0.0104
90
+ 78 CG 8.8800 22.2760 -5.0150 C.3 1 PRO -0.0281
91
+ 79 CD 7.6850 22.5470 -4.1480 C.3 1 PRO 0.0369
92
+ 80 N 10.5080 26.2780 -3.2630 N.am 1 ILE -0.2634
93
+ 81 CA 10.6220 27.7160 -3.1640 C.3 1 ILE 0.1337
94
+ 82 C 10.9990 28.2280 -4.5450 C.2 1 ILE 0.2067
95
+ 83 O 11.9500 27.7340 -5.1550 O.2 1 ILE -0.3942
96
+ 84 CB 11.7350 28.1040 -2.1680 C.3 1 ILE -0.0037
97
+ 85 CG1 11.3430 27.6970 -0.7470 C.3 1 ILE -0.0491
98
+ 86 CG2 12.0280 29.5940 -2.2560 C.3 1 ILE -0.0582
99
+ 87 CD1 12.4580 27.8490 0.2550 C.3 1 ILE -0.0648
100
+ 88 N 10.2200 29.1790 -5.0860 N.am 1 PRO -0.2498
101
+ 89 CA 10.4910 29.7540 -6.4070 C.3 1 PRO 0.1338
102
+ 90 C 11.8010 30.5320 -6.3540 C.2 1 PRO 0.2041
103
+ 91 O 12.2820 30.8590 -5.2720 O.2 1 PRO -0.3944
104
+ 92 CB 9.3170 30.7100 -6.6070 C.3 1 PRO -0.0104
105
+ 93 CG 8.2240 30.0930 -5.7960 C.3 1 PRO -0.0281
106
+ 94 CD 8.9490 29.6890 -4.5480 C.3 1 PRO 0.0369
107
+ 95 N 12.3610 30.8490 -7.5150 N.am 1 GLU -0.2636
108
+ 96 CA 13.6030 31.6120 -7.5850 C.3 1 GLU 0.1325
109
+ 97 C 13.2840 33.0690 -7.2390 C.2 1 GLU 0.2040
110
+ 98 O 13.3490 33.9570 -8.0880 O.2 1 GLU -0.3944
111
+ 99 CB 14.1930 31.5030 -8.9910 C.3 1 GLU -0.0008
112
+ 100 CG 14.4410 30.0600 -9.4420 C.3 1 GLU 0.0044
113
+ 101 CD 14.4910 29.9090 -10.9610 C.2 1 GLU 0.0350
114
+ 102 OE1 15.6060 29.9030 -11.5320 O.co2 1 GLU -0.5690
115
+ 103 OE2 13.4100 29.7880 -11.5820 O.co2 1 GLU -0.5690
116
+ 104 N 12.8890 33.2840 -5.9900 N.am 1 GLU -0.2636
117
+ 105 CA 12.5290 34.5960 -5.4700 C.3 1 GLU 0.1324
118
+ 106 C 13.3060 34.7510 -4.1680 C.2 1 GLU 0.2034
119
+ 107 O 12.7120 34.8830 -3.0970 O.2 1 GLU -0.3944
120
+ 108 CB 11.0210 34.6560 -5.1890 C.3 1 GLU -0.0008
121
+ 109 CG 10.3040 35.8680 -5.7890 C.3 1 GLU 0.0044
122
+ 110 CD 9.6500 35.5880 -7.1460 C.2 1 GLU 0.0350
123
+ 111 OE1 8.5700 36.1680 -7.4060 O.co2 1 GLU -0.5690
124
+ 112 OE2 10.2060 34.8010 -7.9520 O.co2 1 GLU -0.5690
125
+ 113 N 14.6310 34.6810 -4.3130 N.am 1 ALA -0.2698
126
+ 114 CA 15.6580 34.7780 -3.2670 C.3 1 ALA 0.0916
127
+ 115 C 16.5500 33.5420 -3.3710 C.2 1 ALA 0.0598
128
+ 116 O 17.7730 33.6810 -3.1730 O.co2 1 ALA -0.5666
129
+ 117 CB 15.0600 34.8810 -1.8670 C.3 1 ALA -0.0300
130
+ 118 OXT 16.0190 32.4510 -3.6760 O.co2 1 ALA -0.5666
131
+ 119 H1 14.6559 13.4759 22.1578 H 1 ARG 0.2015
132
+ 120 H2 15.0185 14.6197 23.2845 H 1 ARG 0.2015
133
+ 121 H3 16.2186 13.7115 22.6179 H 1 ARG 0.2015
134
+ 122 H4 15.8846 14.6958 20.4141 H 1 ARG 0.1098
135
+ 123 H5 13.4681 14.9859 20.7016 H 1 ARG 0.0347
136
+ 124 H6 14.2565 16.4707 20.0690 H 1 ARG 0.0347
137
+ 125 H7 14.2796 17.4387 22.3444 H 1 ARG 0.0302
138
+ 126 H8 13.5171 15.9475 22.9936 H 1 ARG 0.0302
139
+ 127 H9 11.6252 16.3342 21.3399 H 1 ARG 0.0689
140
+ 128 H10 12.3536 17.9417 21.0051 H 1 ARG 0.0689
141
+ 129 H11 10.7304 17.1604 23.3217 H 1 ARG 0.2642
142
+ 130 H12 12.8466 20.6265 23.3400 H 1 ARG 0.2615
143
+ 131 H13 13.2242 19.3729 22.1281 H 1 ARG 0.2615
144
+ 132 H14 10.2792 18.7195 24.8608 H 1 ARG 0.2615
145
+ 133 H15 11.2076 20.2425 24.8974 H 1 ARG 0.2615
146
+ 134 H16 17.8251 18.5389 21.7299 H 1 CPI 0.0524
147
+ 135 H17 17.8832 18.7851 19.9515 H 1 CPI 0.0524
148
+ 136 H18 19.6746 16.8009 21.4194 H 1 CPI 0.0285
149
+ 137 H19 20.1650 18.4883 21.0468 H 1 CPI 0.0285
150
+ 138 H20 20.7384 17.0805 19.2498 H 1 CPI 0.0268
151
+ 139 H21 19.3971 18.1848 18.7935 H 1 CPI 0.0268
152
+ 140 H22 19.2514 15.2580 19.4318 H 1 CPI 0.0312
153
+ 141 H23 19.0484 16.0629 17.8388 H 1 CPI 0.0312
154
+ 142 H24 16.8797 15.3389 19.1158 H 1 CPI 0.0802
155
+ 143 H25 17.7166 16.6896 16.6034 H 1 TIH 0.1885
156
+ 144 H26 15.4754 18.6553 16.5896 H 1 TIH 0.0827
157
+ 145 H27 17.5095 19.9283 16.3943 H 1 TIH 0.0500
158
+ 146 H28 16.5810 19.9771 14.8574 H 1 TIH 0.0500
159
+ 147 H29 18.0255 19.8155 12.8157 H 1 TIH 0.0277
160
+ 148 H30 20.4292 19.0364 12.0268 H 1 TIH 0.0371
161
+ 149 H31 21.7428 17.7085 13.9368 H 1 TIH 0.0598
162
+ 150 H32 14.7642 19.0643 14.1814 H 1 DOA 0.1851
163
+ 151 H33 13.0984 17.5512 13.0739 H 1 DOA 0.0520
164
+ 152 H34 14.4760 16.4267 12.8204 H 1 DOA 0.0520
165
+ 153 H35 15.3156 17.6220 11.0837 H 1 DOA 0.0285
166
+ 154 H36 14.7752 19.1971 11.7574 H 1 DOA 0.0285
167
+ 155 H37 13.3348 19.0099 9.9702 H 1 DOA 0.0266
168
+ 156 H38 12.3606 18.2112 11.2507 H 1 DOA 0.0266
169
+ 157 H39 12.8991 16.0181 10.4019 H 1 DOA 0.0265
170
+ 158 H40 14.1211 16.6910 9.2703 H 1 DOA 0.0265
171
+ 159 H41 12.3888 17.7890 7.9437 H 1 DOA 0.0265
172
+ 160 H42 11.1273 17.3706 9.1521 H 1 DOA 0.0265
173
+ 161 H43 11.5614 14.9396 8.6757 H 1 DOA 0.0265
174
+ 162 H44 12.6898 15.4400 7.3707 H 1 DOA 0.0265
175
+ 163 H45 9.7844 16.3591 7.4033 H 1 DOA 0.0265
176
+ 164 H46 10.2593 14.7664 6.7218 H 1 DOA 0.0265
177
+ 165 H47 11.9534 16.0936 5.2834 H 1 DOA 0.0265
178
+ 166 H48 11.0300 17.5547 5.7728 H 1 DOA 0.0265
179
+ 167 H49 8.9480 16.5128 4.8150 H 1 DOA 0.0267
180
+ 168 H50 9.9368 15.1239 4.2491 H 1 DOA 0.0267
181
+ 169 H51 11.4074 16.9379 3.0707 H 1 DOA 0.0290
182
+ 170 H52 10.0057 18.0296 3.3351 H 1 DOA 0.0290
183
+ 171 H53 9.4934 15.3627 2.0386 H 1 DOA 0.0502
184
+ 172 H54 10.3402 16.6197 1.0744 H 1 DOA 0.0502
185
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+ $$$$
1eoj/1eoj_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1eoj/1eoj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fjs/1fjs_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
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+
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The diff for this file is too large to render. See raw diff
 
1mrw/1mrw_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mwt/1mwt_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Wed Jan 1 15:39:34 2020
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+ ###
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1mwt/1mwt_ligand.sdf ADDED
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95
+ $$$$
1mwt/1mwt_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mwt/1mwt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1okl/1okl_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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5
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1okl/1okl_ligand.sdf ADDED
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+ $$$$
1okl/1okl_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1okl/1okl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rbo/1rbo_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
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11
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12
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39
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+ 1 CAP 1
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+
1rbo/1rbo_ligand.sdf ADDED
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1
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+ M END
75
+ $$$$
1rbo/1rbo_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rbo/1rbo_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rdi/1rdi_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,871 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C LYS A 1 21.922 23.633 4.776 1.00 83.74 C
2
+ ATOM 2 CA LYS A 1 22.364 23.683 6.236 1.00 83.16 C
3
+ ATOM 3 CB LYS A 1 22.249 25.113 6.768 1.00 78.72 C
4
+ ATOM 4 CD LYS A 1 20.822 26.864 7.877 1.00 68.71 C
5
+ ATOM 5 CE LYS A 1 19.422 27.234 8.351 1.00 66.06 C
6
+ ATOM 6 CG LYS A 1 20.842 25.503 7.196 1.00 71.18 C
7
+ ATOM 7 N LYS A 1 23.729 23.187 6.391 1.00 81.80 N
8
+ ATOM 8 NZ LYS A 1 19.402 28.558 9.043 1.00 58.91 N
9
+ ATOM 9 O LYS A 1 22.675 24.022 3.881 1.00 79.71 O
10
+ ATOM 10 C TYR A 2 18.817 23.583 3.028 1.00 91.48 C
11
+ ATOM 11 CA TYR A 2 20.200 22.944 3.087 1.00 91.69 C
12
+ ATOM 12 CB TYR A 2 20.121 21.489 2.616 1.00 87.13 C
13
+ ATOM 13 CD1 TYR A 2 22.274 20.856 1.455 1.00 60.81 C
14
+ ATOM 14 CD2 TYR A 2 21.908 20.058 3.678 1.00 62.07 C
15
+ ATOM 15 CE1 TYR A 2 23.506 20.211 1.420 1.00 53.46 C
16
+ ATOM 16 CE2 TYR A 2 23.138 19.410 3.652 1.00 52.90 C
17
+ ATOM 17 CG TYR A 2 21.459 20.788 2.582 1.00 70.21 C
18
+ ATOM 18 CZ TYR A 2 23.929 19.492 2.521 1.00 58.89 C
19
+ ATOM 19 N TYR A 2 20.751 23.016 4.435 1.00 90.04 N
20
+ ATOM 20 O TYR A 2 18.099 23.621 4.030 1.00 89.84 O
21
+ ATOM 21 OH TYR A 2 25.148 18.851 2.491 1.00 34.79 O
22
+ ATOM 22 C PHE A 3 16.361 24.143 0.530 1.00 89.09 C
23
+ ATOM 23 CA PHE A 3 17.156 24.772 1.669 1.00 91.23 C
24
+ ATOM 24 CB PHE A 3 17.416 26.252 1.372 1.00 88.94 C
25
+ ATOM 25 CD1 PHE A 3 17.515 27.372 3.623 1.00 83.77 C
26
+ ATOM 26 CD2 PHE A 3 19.521 27.237 2.328 1.00 85.85 C
27
+ ATOM 27 CE1 PHE A 3 18.206 28.034 4.635 1.00 88.14 C
28
+ ATOM 28 CE2 PHE A 3 20.218 27.899 3.335 1.00 88.28 C
29
+ ATOM 29 CG PHE A 3 18.165 26.969 2.463 1.00 87.80 C
30
+ ATOM 30 CZ PHE A 3 19.559 28.298 4.487 1.00 87.34 C
31
+ ATOM 31 N PHE A 3 18.411 24.062 1.878 1.00 88.71 N
32
+ ATOM 32 O PHE A 3 16.936 23.722 -0.476 1.00 85.94 O
33
+ ATOM 33 C MET A 4 12.986 24.427 -0.474 1.00 91.31 C
34
+ ATOM 34 CA MET A 4 14.221 23.538 -0.369 1.00 91.28 C
35
+ ATOM 35 CB MET A 4 13.804 22.098 -0.071 1.00 88.02 C
36
+ ATOM 36 CE MET A 4 11.208 20.130 0.541 1.00 62.33 C
37
+ ATOM 37 CG MET A 4 12.977 21.458 -1.174 1.00 74.09 C
38
+ ATOM 38 N MET A 4 15.132 24.033 0.659 1.00 90.38 N
39
+ ATOM 39 O MET A 4 12.376 24.771 0.540 1.00 90.08 O
40
+ ATOM 40 SD MET A 4 12.431 19.758 -0.748 1.00 66.38 S
41
+ ATOM 41 C SER A 5 10.235 24.731 -2.204 1.00 89.77 C
42
+ ATOM 42 CA SER A 5 11.467 25.560 -1.861 1.00 90.69 C
43
+ ATOM 43 CB SER A 5 11.746 26.562 -2.981 1.00 88.08 C
44
+ ATOM 44 N SER A 5 12.631 24.710 -1.634 1.00 90.01 N
45
+ ATOM 45 O SER A 5 10.344 23.684 -2.846 1.00 87.26 O
46
+ ATOM 46 OG SER A 5 10.606 27.366 -3.234 1.00 75.16 O
47
+ ATOM 47 C SER A 6 7.474 25.081 -3.618 1.00 84.60 C
48
+ ATOM 48 CA SER A 6 7.836 24.686 -2.190 1.00 85.47 C
49
+ ATOM 49 CB SER A 6 6.727 25.126 -1.233 1.00 83.26 C
50
+ ATOM 50 N SER A 6 9.116 25.263 -1.790 1.00 86.26 N
51
+ ATOM 51 O SER A 6 8.114 25.955 -4.207 1.00 80.75 O
52
+ ATOM 52 OG SER A 6 6.371 26.478 -1.465 1.00 74.74 O
53
+ ATOM 53 C VAL A 7 4.656 25.603 -5.330 1.00 84.19 C
54
+ ATOM 54 CA VAL A 7 5.943 24.794 -5.480 1.00 85.19 C
55
+ ATOM 55 CB VAL A 7 5.684 23.532 -6.332 1.00 80.49 C
56
+ ATOM 56 CG1 VAL A 7 7.002 22.905 -6.783 1.00 65.58 C
57
+ ATOM 57 CG2 VAL A 7 4.848 22.522 -5.548 1.00 62.61 C
58
+ ATOM 58 N VAL A 7 6.467 24.452 -4.161 1.00 85.24 N
59
+ ATOM 59 O VAL A 7 4.253 26.315 -6.252 1.00 80.53 O
60
+ ATOM 60 C ARG A 8 2.787 27.223 -2.932 1.00 90.62 C
61
+ ATOM 61 CA ARG A 8 2.696 26.132 -3.994 1.00 89.59 C
62
+ ATOM 62 CB ARG A 8 1.629 25.107 -3.602 1.00 86.31 C
63
+ ATOM 63 CD ARG A 8 0.189 23.157 -4.285 1.00 71.28 C
64
+ ATOM 64 CG ARG A 8 1.312 24.099 -4.694 1.00 74.80 C
65
+ ATOM 65 CZ ARG A 8 -1.063 21.264 -5.265 1.00 62.95 C
66
+ ATOM 66 N ARG A 8 3.987 25.479 -4.187 1.00 89.26 N
67
+ ATOM 67 NE ARG A 8 -0.081 22.159 -5.315 1.00 64.65 N
68
+ ATOM 68 NH1 ARG A 8 -1.893 21.226 -4.229 1.00 51.84 N
69
+ ATOM 69 NH2 ARG A 8 -1.218 20.401 -6.259 1.00 46.65 N
70
+ ATOM 70 O ARG A 8 3.525 27.085 -1.954 1.00 89.86 O
71
+ ATOM 71 C ARG A 9 0.932 28.934 -1.122 1.00 93.74 C
72
+ ATOM 72 CA ARG A 9 1.902 29.305 -2.239 1.00 93.97 C
73
+ ATOM 73 CB ARG A 9 1.444 30.596 -2.923 1.00 92.39 C
74
+ ATOM 74 CD ARG A 9 1.842 32.313 -4.722 1.00 84.99 C
75
+ ATOM 75 CG ARG A 9 2.396 31.094 -3.998 1.00 86.99 C
76
+ ATOM 76 CZ ARG A 9 3.017 34.186 -5.829 1.00 79.96 C
77
+ ATOM 77 N ARG A 9 2.019 28.223 -3.212 1.00 93.42 N
78
+ ATOM 78 NE ARG A 9 2.818 32.883 -5.645 1.00 83.05 N
79
+ ATOM 79 NH1 ARG A 9 2.307 35.082 -5.155 1.00 72.62 N
80
+ ATOM 80 NH2 ARG A 9 3.933 34.595 -6.695 1.00 70.03 N
81
+ ATOM 81 O ARG A 9 -0.089 28.288 -1.369 1.00 92.98 O
82
+ ATOM 82 C MET A 10 0.694 30.013 2.350 1.00 94.10 C
83
+ ATOM 83 CA MET A 10 0.478 29.011 1.221 1.00 93.94 C
84
+ ATOM 84 CB MET A 10 0.783 27.595 1.713 1.00 92.83 C
85
+ ATOM 85 CE MET A 10 2.852 25.190 0.681 1.00 80.97 C
86
+ ATOM 86 CG MET A 10 2.199 27.422 2.239 1.00 88.31 C
87
+ ATOM 87 N MET A 10 1.304 29.342 0.064 1.00 93.51 N
88
+ ATOM 88 O MET A 10 1.716 30.702 2.386 1.00 93.62 O
89
+ ATOM 89 SD MET A 10 2.669 25.658 2.425 1.00 87.90 S
90
+ ATOM 90 C PRO A 11 0.940 30.343 5.394 1.00 94.62 C
91
+ ATOM 91 CA PRO A 11 -0.098 30.939 4.446 1.00 94.50 C
92
+ ATOM 92 CB PRO A 11 -1.476 30.994 5.111 1.00 93.68 C
93
+ ATOM 93 CD PRO A 11 -1.644 29.800 2.999 1.00 90.83 C
94
+ ATOM 94 CG PRO A 11 -2.427 30.518 4.061 1.00 91.80 C
95
+ ATOM 95 N PRO A 11 -0.329 30.106 3.262 1.00 94.18 N
96
+ ATOM 96 O PRO A 11 1.305 29.172 5.259 1.00 94.32 O
97
+ ATOM 97 C LEU A 12 2.196 29.477 8.012 1.00 93.93 C
98
+ ATOM 98 CA LEU A 12 2.536 30.733 7.216 1.00 94.25 C
99
+ ATOM 99 CB LEU A 12 2.919 31.868 8.170 1.00 93.46 C
100
+ ATOM 100 CD1 LEU A 12 5.356 31.319 8.382 1.00 86.55 C
101
+ ATOM 101 CD2 LEU A 12 4.234 32.732 10.126 1.00 86.51 C
102
+ ATOM 102 CG LEU A 12 4.062 31.577 9.144 1.00 91.03 C
103
+ ATOM 103 N LEU A 12 1.417 31.133 6.370 1.00 94.11 N
104
+ ATOM 104 O LEU A 12 3.056 28.616 8.218 1.00 93.08 O
105
+ ATOM 105 C ASN A 13 0.756 26.890 8.533 1.00 94.08 C
106
+ ATOM 106 CA ASN A 13 0.607 28.180 9.333 1.00 94.10 C
107
+ ATOM 107 CB ASN A 13 -0.817 28.305 9.880 1.00 92.11 C
108
+ ATOM 108 CG ASN A 13 -0.932 29.341 10.980 1.00 78.38 C
109
+ ATOM 109 N ASN A 13 0.952 29.350 8.533 1.00 94.23 N
110
+ ATOM 110 ND2 ASN A 13 -2.157 29.757 11.278 1.00 64.73 N
111
+ ATOM 111 O ASN A 13 1.256 25.888 9.048 1.00 93.21 O
112
+ ATOM 112 OD1 ASN A 13 0.073 29.766 11.557 1.00 66.20 O
113
+ ATOM 113 C ARG A 14 1.995 25.578 6.133 1.00 94.60 C
114
+ ATOM 114 CA ARG A 14 0.531 25.790 6.502 1.00 94.36 C
115
+ ATOM 115 CB ARG A 14 -0.313 25.937 5.233 1.00 92.49 C
116
+ ATOM 116 CD ARG A 14 -2.568 25.568 4.174 1.00 72.34 C
117
+ ATOM 117 CG ARG A 14 -1.810 25.816 5.471 1.00 78.11 C
118
+ ATOM 118 CZ ARG A 14 -4.921 25.406 3.432 1.00 63.98 C
119
+ ATOM 119 N ARG A 14 0.369 26.957 7.363 1.00 94.45 N
120
+ ATOM 120 NE ARG A 14 -4.011 25.526 4.394 1.00 67.83 N
121
+ ATOM 121 NH1 ARG A 14 -4.554 25.313 2.158 1.00 51.86 N
122
+ ATOM 122 NH2 ARG A 14 -6.209 25.380 3.743 1.00 45.98 N
123
+ ATOM 123 O ARG A 14 2.446 24.440 5.994 1.00 93.99 O
124
+ ATOM 124 C ALA A 15 4.881 25.886 6.780 1.00 94.11 C
125
+ ATOM 125 CA ALA A 15 4.116 26.577 5.655 1.00 94.10 C
126
+ ATOM 126 CB ALA A 15 4.671 27.980 5.421 1.00 93.25 C
127
+ ATOM 127 N ALA A 15 2.687 26.639 5.954 1.00 93.67 N
128
+ ATOM 128 O ALA A 15 5.751 25.049 6.524 1.00 93.59 O
129
+ ATOM 129 C LYS A 16 4.889 24.107 9.187 1.00 93.66 C
130
+ ATOM 130 CA LYS A 16 5.167 25.607 9.175 1.00 94.08 C
131
+ ATOM 131 CB LYS A 16 4.667 26.244 10.472 1.00 93.05 C
132
+ ATOM 132 CD LYS A 16 4.551 28.280 11.948 1.00 85.16 C
133
+ ATOM 133 CE LYS A 16 5.030 27.592 13.219 1.00 79.55 C
134
+ ATOM 134 CG LYS A 16 5.176 27.658 10.705 1.00 88.06 C
135
+ ATOM 135 N LYS A 16 4.550 26.247 8.018 1.00 94.16 N
136
+ ATOM 136 NZ LYS A 16 4.446 28.220 14.442 1.00 71.98 N
137
+ ATOM 137 O LYS A 16 5.788 23.305 9.449 1.00 92.71 O
138
+ ATOM 138 C ALA A 17 3.990 21.628 7.808 1.00 93.69 C
139
+ ATOM 139 CA ALA A 17 3.258 22.390 8.909 1.00 93.83 C
140
+ ATOM 140 CB ALA A 17 1.747 22.261 8.727 1.00 92.95 C
141
+ ATOM 141 N ALA A 17 3.650 23.798 8.923 1.00 93.89 N
142
+ ATOM 142 O ALA A 17 4.461 20.509 8.028 1.00 92.96 O
143
+ ATOM 143 C LEU A 18 6.220 21.250 5.879 1.00 93.29 C
144
+ ATOM 144 CA LEU A 18 4.761 21.532 5.537 1.00 93.35 C
145
+ ATOM 145 CB LEU A 18 4.679 22.419 4.293 1.00 92.74 C
146
+ ATOM 146 CD1 LEU A 18 4.879 20.626 2.552 1.00 87.02 C
147
+ ATOM 147 CD2 LEU A 18 5.437 23.001 1.971 1.00 86.90 C
148
+ ATOM 148 CG LEU A 18 5.456 21.940 3.065 1.00 90.63 C
149
+ ATOM 149 N LEU A 18 4.077 22.163 6.660 1.00 93.31 N
150
+ ATOM 150 O LEU A 18 6.704 20.132 5.680 1.00 92.63 O
151
+ ATOM 151 C CYS A 19 8.580 21.080 7.792 1.00 92.99 C
152
+ ATOM 152 CA CYS A 19 8.383 22.078 6.658 1.00 93.28 C
153
+ ATOM 153 CB CYS A 19 9.013 23.419 7.032 1.00 92.84 C
154
+ ATOM 154 N CYS A 19 6.966 22.247 6.352 1.00 93.14 N
155
+ ATOM 155 O CYS A 19 9.511 20.272 7.759 1.00 92.14 O
156
+ ATOM 156 SG CYS A 19 9.155 24.569 5.646 1.00 93.33 S
157
+ ATOM 157 C SER A 20 7.494 18.686 9.381 1.00 92.53 C
158
+ ATOM 158 CA SER A 20 7.698 20.115 9.875 1.00 92.78 C
159
+ ATOM 159 CB SER A 20 6.646 20.452 10.932 1.00 91.67 C
160
+ ATOM 160 N SER A 20 7.640 21.068 8.771 1.00 93.04 N
161
+ ATOM 161 O SER A 20 8.173 17.763 9.838 1.00 91.57 O
162
+ ATOM 162 OG SER A 20 6.734 19.562 12.031 1.00 78.06 O
163
+ ATOM 163 C GLU A 21 7.638 16.654 7.154 1.00 91.94 C
164
+ ATOM 164 CA GLU A 21 6.382 17.182 7.839 1.00 92.17 C
165
+ ATOM 165 CB GLU A 21 5.222 17.238 6.841 1.00 90.44 C
166
+ ATOM 166 CD GLU A 21 2.710 17.387 6.495 1.00 73.73 C
167
+ ATOM 167 CG GLU A 21 3.849 17.271 7.495 1.00 79.63 C
168
+ ATOM 168 N GLU A 21 6.614 18.496 8.430 1.00 92.50 N
169
+ ATOM 169 O GLU A 21 7.884 15.446 7.141 1.00 90.64 O
170
+ ATOM 170 OE1 GLU A 21 2.973 17.369 5.271 1.00 69.63 O
171
+ ATOM 171 OE2 GLU A 21 1.545 17.498 6.937 1.00 66.83 O
172
+ ATOM 172 C LEU A 22 10.823 17.216 6.994 1.00 90.14 C
173
+ ATOM 173 CA LEU A 22 9.652 17.254 6.017 1.00 90.51 C
174
+ ATOM 174 CB LEU A 22 9.947 18.243 4.886 1.00 89.84 C
175
+ ATOM 175 CD1 LEU A 22 9.288 19.397 2.760 1.00 85.83 C
176
+ ATOM 176 CD2 LEU A 22 8.900 16.931 3.019 1.00 85.88 C
177
+ ATOM 177 CG LEU A 22 8.940 18.277 3.735 1.00 88.44 C
178
+ ATOM 178 N LEU A 22 8.415 17.613 6.700 1.00 90.49 N
179
+ ATOM 179 O LEU A 22 11.977 17.088 6.581 1.00 88.84 O
180
+ ATOM 180 C GLN A 23 12.511 18.554 9.298 1.00 91.37 C
181
+ ATOM 181 CA GLN A 23 11.558 17.364 9.376 1.00 91.57 C
182
+ ATOM 182 CB GLN A 23 12.346 16.055 9.319 1.00 90.07 C
183
+ ATOM 183 CD GLN A 23 12.308 13.535 9.561 1.00 80.77 C
184
+ ATOM 184 CG GLN A 23 11.490 14.813 9.530 1.00 84.84 C
185
+ ATOM 185 N GLN A 23 10.567 17.414 8.306 1.00 91.82 N
186
+ ATOM 186 NE2 GLN A 23 11.812 12.531 10.276 1.00 72.53 N
187
+ ATOM 187 O GLN A 23 13.699 18.424 9.601 1.00 89.81 O
188
+ ATOM 188 OE1 GLN A 23 13.377 13.451 8.948 1.00 77.24 O
189
+ ATOM 189 C GLY A 24 11.816 22.023 9.442 1.00 92.33 C
190
+ ATOM 190 CA GLY A 24 12.632 20.896 8.838 1.00 92.18 C
191
+ ATOM 191 N GLY A 24 11.931 19.621 8.836 1.00 92.19 N
192
+ ATOM 192 O GLY A 24 10.813 21.780 10.116 1.00 91.54 O
193
+ ATOM 193 C THR A 25 11.558 25.523 8.590 1.00 93.45 C
194
+ ATOM 194 CA THR A 25 11.531 24.476 9.700 1.00 93.18 C
195
+ ATOM 195 CB THR A 25 12.152 25.064 10.980 1.00 91.97 C
196
+ ATOM 196 CG2 THR A 25 13.568 25.568 10.723 1.00 80.10 C
197
+ ATOM 197 N THR A 25 12.227 23.263 9.282 1.00 92.94 N
198
+ ATOM 198 O THR A 25 12.352 25.424 7.654 1.00 93.02 O
199
+ ATOM 199 OG1 THR A 25 11.344 26.155 11.438 1.00 82.17 O
200
+ ATOM 200 C VAL A 26 12.003 28.255 7.779 1.00 94.79 C
201
+ ATOM 201 CA VAL A 26 10.672 27.513 7.682 1.00 94.69 C
202
+ ATOM 202 CB VAL A 26 9.498 28.490 7.922 1.00 94.19 C
203
+ ATOM 203 CG1 VAL A 26 9.519 29.622 6.896 1.00 92.59 C
204
+ ATOM 204 CG2 VAL A 26 8.166 27.745 7.873 1.00 92.48 C
205
+ ATOM 205 N VAL A 26 10.651 26.408 8.635 1.00 94.41 N
206
+ ATOM 206 O VAL A 26 12.492 28.523 8.879 1.00 94.50 O
207
+ ATOM 207 C ALA A 27 14.065 30.475 7.328 1.00 94.90 C
208
+ ATOM 208 CA ALA A 27 13.970 29.124 6.627 1.00 94.94 C
209
+ ATOM 209 CB ALA A 27 14.424 29.249 5.175 1.00 94.32 C
210
+ ATOM 210 N ALA A 27 12.610 28.593 6.691 1.00 94.83 N
211
+ ATOM 211 O ALA A 27 13.183 31.325 7.176 1.00 94.47 O
212
+ ATOM 212 C THR A 28 16.864 32.337 8.500 1.00 94.40 C
213
+ ATOM 213 CA THR A 28 15.413 31.935 8.751 1.00 94.54 C
214
+ ATOM 214 CB THR A 28 15.170 31.797 10.266 1.00 93.38 C
215
+ ATOM 215 CG2 THR A 28 15.401 33.123 10.982 1.00 84.48 C
216
+ ATOM 216 N THR A 28 15.091 30.697 8.048 1.00 94.55 N
217
+ ATOM 217 O THR A 28 17.787 31.698 9.010 1.00 93.72 O
218
+ ATOM 218 OG1 THR A 28 13.820 31.373 10.491 1.00 84.75 O
219
+ ATOM 219 C PRO A 29 19.138 34.302 8.705 1.00 93.66 C
220
+ ATOM 220 CA PRO A 29 18.480 33.692 7.471 1.00 94.09 C
221
+ ATOM 221 CB PRO A 29 18.377 34.722 6.342 1.00 93.66 C
222
+ ATOM 222 CD PRO A 29 16.104 34.277 7.081 1.00 91.83 C
223
+ ATOM 223 CG PRO A 29 17.013 35.315 6.488 1.00 92.67 C
224
+ ATOM 224 N PRO A 29 17.086 33.308 7.703 1.00 94.12 N
225
+ ATOM 225 O PRO A 29 18.521 35.111 9.403 1.00 92.76 O
226
+ ATOM 226 C ARG A 30 22.336 35.405 9.665 1.00 93.25 C
227
+ ATOM 227 CA ARG A 30 21.197 34.486 10.095 1.00 93.36 C
228
+ ATOM 228 CB ARG A 30 21.746 33.329 10.932 1.00 91.82 C
229
+ ATOM 229 CD ARG A 30 21.268 31.222 12.228 1.00 77.21 C
230
+ ATOM 230 CG ARG A 30 20.669 32.433 11.525 1.00 83.15 C
231
+ ATOM 231 CZ ARG A 30 20.466 29.145 13.304 1.00 69.68 C
232
+ ATOM 232 N ARG A 30 20.466 33.980 8.937 1.00 93.50 N
233
+ ATOM 233 NE ARG A 30 20.233 30.304 12.695 1.00 70.88 N
234
+ ATOM 234 NH1 ARG A 30 21.709 28.739 13.534 1.00 50.84 N
235
+ ATOM 235 NH2 ARG A 30 19.449 28.387 13.687 1.00 45.48 N
236
+ ATOM 236 O ARG A 30 23.082 35.912 10.505 1.00 92.15 O
237
+ ATOM 237 C ASN A 31 23.201 36.614 6.290 1.00 93.90 C
238
+ ATOM 238 CA ASN A 31 23.493 36.389 7.770 1.00 93.64 C
239
+ ATOM 239 CB ASN A 31 24.913 35.847 7.954 1.00 93.00 C
240
+ ATOM 240 CG ASN A 31 25.080 34.447 7.397 1.00 91.46 C
241
+ ATOM 241 N ASN A 31 22.519 35.489 8.379 1.00 93.42 N
242
+ ATOM 242 ND2 ASN A 31 25.589 33.538 8.220 1.00 90.15 N
243
+ ATOM 243 O ASN A 31 22.265 36.027 5.742 1.00 93.54 O
244
+ ATOM 244 OD1 ASN A 31 24.757 34.186 6.235 1.00 89.95 O
245
+ ATOM 245 C ALA A 32 23.890 36.594 3.374 1.00 94.31 C
246
+ ATOM 246 CA ALA A 32 23.764 37.800 4.299 1.00 94.45 C
247
+ ATOM 247 CB ALA A 32 24.755 38.887 3.890 1.00 93.46 C
248
+ ATOM 248 N ALA A 32 23.974 37.418 5.694 1.00 94.36 N
249
+ ATOM 249 O ALA A 32 23.176 36.494 2.373 1.00 93.62 O
250
+ ATOM 250 C GLU A 33 23.798 33.620 2.890 1.00 94.00 C
251
+ ATOM 251 CA GLU A 33 25.032 34.517 2.898 1.00 93.78 C
252
+ ATOM 252 CB GLU A 33 26.250 33.733 3.393 1.00 92.55 C
253
+ ATOM 253 CD GLU A 33 27.889 31.840 2.962 1.00 77.01 C
254
+ ATOM 254 CG GLU A 33 26.636 32.566 2.497 1.00 83.70 C
255
+ ATOM 255 N GLU A 33 24.818 35.704 3.720 1.00 93.70 N
256
+ ATOM 256 O GLU A 33 23.368 33.157 1.831 1.00 93.48 O
257
+ ATOM 257 OE1 GLU A 33 28.488 32.255 3.978 1.00 73.06 O
258
+ ATOM 258 OE2 GLU A 33 28.274 30.848 2.302 1.00 68.76 O
259
+ ATOM 259 C GLU A 34 20.887 33.325 3.484 1.00 94.29 C
260
+ ATOM 260 CA GLU A 34 22.062 32.635 4.171 1.00 94.07 C
261
+ ATOM 261 CB GLU A 34 21.722 32.349 5.635 1.00 93.37 C
262
+ ATOM 262 CD GLU A 34 22.256 31.006 7.724 1.00 88.89 C
263
+ ATOM 263 CG GLU A 34 22.671 31.367 6.307 1.00 90.90 C
264
+ ATOM 264 N GLU A 34 23.277 33.438 4.073 1.00 93.81 N
265
+ ATOM 265 O GLU A 34 20.073 32.672 2.829 1.00 93.96 O
266
+ ATOM 266 OE1 GLU A 34 21.155 31.415 8.157 1.00 87.15 O
267
+ ATOM 267 OE2 GLU A 34 23.039 30.308 8.407 1.00 87.00 O
268
+ ATOM 268 C ASN A 35 19.804 35.167 1.394 1.00 94.92 C
269
+ ATOM 269 CA ASN A 35 19.751 35.374 2.905 1.00 95.21 C
270
+ ATOM 270 CB ASN A 35 19.856 36.863 3.241 1.00 94.82 C
271
+ ATOM 271 CG ASN A 35 18.626 37.644 2.820 1.00 93.82 C
272
+ ATOM 272 N ASN A 35 20.800 34.622 3.585 1.00 95.08 N
273
+ ATOM 273 ND2 ASN A 35 18.767 38.456 1.779 1.00 92.89 N
274
+ ATOM 274 O ASN A 35 18.774 34.929 0.760 1.00 94.30 O
275
+ ATOM 275 OD1 ASN A 35 17.559 37.520 3.428 1.00 91.64 O
276
+ ATOM 276 C ARG A 36 20.899 33.573 -0.964 1.00 94.77 C
277
+ ATOM 277 CA ARG A 36 21.209 35.006 -0.541 1.00 94.85 C
278
+ ATOM 278 CB ARG A 36 22.639 35.373 -0.944 1.00 93.59 C
279
+ ATOM 279 CD ARG A 36 24.258 35.935 -2.790 1.00 75.93 C
280
+ ATOM 280 CG ARG A 36 22.848 35.473 -2.447 1.00 82.53 C
281
+ ATOM 281 CZ ARG A 36 25.631 37.976 -2.537 1.00 66.04 C
282
+ ATOM 282 N ARG A 36 21.019 35.181 0.895 1.00 94.92 N
283
+ ATOM 283 NE ARG A 36 24.511 37.292 -2.317 1.00 71.02 N
284
+ ATOM 284 NH1 ARG A 36 26.627 37.440 -3.232 1.00 51.72 N
285
+ ATOM 285 NH2 ARG A 36 25.755 39.206 -2.059 1.00 46.01 N
286
+ ATOM 286 O ARG A 36 20.321 33.346 -2.028 1.00 94.13 O
287
+ ATOM 287 C ALA A 37 19.503 31.011 -0.498 1.00 94.38 C
288
+ ATOM 288 CA ALA A 37 21.004 31.274 -0.443 1.00 94.27 C
289
+ ATOM 289 CB ALA A 37 21.664 30.367 0.593 1.00 93.69 C
290
+ ATOM 290 N ALA A 37 21.281 32.676 -0.141 1.00 94.26 N
291
+ ATOM 291 O ALA A 37 19.019 30.328 -1.403 1.00 93.96 O
292
+ ATOM 292 C ILE A 38 16.677 32.019 -0.712 1.00 94.43 C
293
+ ATOM 293 CA ILE A 38 17.307 31.339 0.501 1.00 94.74 C
294
+ ATOM 294 CB ILE A 38 16.715 31.917 1.807 1.00 94.47 C
295
+ ATOM 295 CD1 ILE A 38 16.986 31.821 4.353 1.00 92.60 C
296
+ ATOM 296 CG1 ILE A 38 17.223 31.128 3.019 1.00 93.88 C
297
+ ATOM 297 CG2 ILE A 38 15.185 31.915 1.754 1.00 93.74 C
298
+ ATOM 298 N ILE A 38 18.756 31.496 0.457 1.00 94.53 N
299
+ ATOM 299 O ILE A 38 15.782 31.459 -1.350 1.00 93.79 O
300
+ ATOM 300 C GLN A 39 16.872 33.110 -3.507 1.00 94.02 C
301
+ ATOM 301 CA GLN A 39 16.680 33.918 -2.226 1.00 94.66 C
302
+ ATOM 302 CB GLN A 39 17.391 35.267 -2.345 1.00 93.84 C
303
+ ATOM 303 CD GLN A 39 17.785 37.312 -3.784 1.00 86.63 C
304
+ ATOM 304 CG GLN A 39 16.872 36.138 -3.481 1.00 90.07 C
305
+ ATOM 305 N GLN A 39 17.165 33.183 -1.063 1.00 94.85 N
306
+ ATOM 306 NE2 GLN A 39 17.302 38.242 -4.601 1.00 84.81 N
307
+ ATOM 307 O GLN A 39 15.983 33.069 -4.360 1.00 92.76 O
308
+ ATOM 308 OE1 GLN A 39 18.913 37.383 -3.288 1.00 85.09 O
309
+ ATOM 309 C ASN A 40 17.469 30.424 -4.937 1.00 93.21 C
310
+ ATOM 310 CA ASN A 40 18.361 31.654 -4.800 1.00 93.40 C
311
+ ATOM 311 CB ASN A 40 19.835 31.242 -4.781 1.00 92.10 C
312
+ ATOM 312 CG ASN A 40 20.769 32.402 -5.060 1.00 84.22 C
313
+ ATOM 313 N ASN A 40 18.030 32.426 -3.607 1.00 93.66 N
314
+ ATOM 314 ND2 ASN A 40 22.019 32.274 -4.630 1.00 74.25 N
315
+ ATOM 315 O ASN A 40 17.093 30.046 -6.049 1.00 92.26 O
316
+ ATOM 316 OD1 ASN A 40 20.372 33.407 -5.656 1.00 76.04 O
317
+ ATOM 317 C VAL A 41 14.809 28.972 -4.049 1.00 92.58 C
318
+ ATOM 318 CA VAL A 41 16.271 28.605 -3.807 1.00 92.95 C
319
+ ATOM 319 CB VAL A 41 16.411 27.817 -2.486 1.00 91.81 C
320
+ ATOM 320 CG1 VAL A 41 15.364 26.708 -2.405 1.00 82.94 C
321
+ ATOM 321 CG2 VAL A 41 17.819 27.237 -2.358 1.00 82.37 C
322
+ ATOM 322 N VAL A 41 17.089 29.813 -3.800 1.00 93.16 N
323
+ ATOM 323 O VAL A 41 14.094 28.263 -4.762 1.00 91.46 O
324
+ ATOM 324 C ALA A 42 12.551 30.900 -5.032 1.00 90.35 C
325
+ ATOM 325 CA ALA A 42 12.916 30.467 -3.615 1.00 92.00 C
326
+ ATOM 326 CB ALA A 42 12.601 31.584 -2.623 1.00 91.31 C
327
+ ATOM 327 N ALA A 42 14.325 30.092 -3.527 1.00 92.61 N
328
+ ATOM 328 O ALA A 42 11.500 30.519 -5.553 1.00 87.20 O
329
+ ATOM 329 C LYS A 43 12.006 33.068 -7.145 1.00 87.15 C
330
+ ATOM 330 CA LYS A 43 13.249 32.185 -7.070 1.00 86.72 C
331
+ ATOM 331 CB LYS A 43 13.169 31.078 -8.122 1.00 82.97 C
332
+ ATOM 332 CD LYS A 43 14.364 29.280 -9.416 1.00 70.22 C
333
+ ATOM 333 CE LYS A 43 15.637 28.453 -9.542 1.00 62.24 C
334
+ ATOM 334 CG LYS A 43 14.435 30.240 -8.237 1.00 73.53 C
335
+ ATOM 335 N LYS A 43 13.408 31.614 -5.735 1.00 88.06 N
336
+ ATOM 336 NZ LYS A 43 15.547 27.464 -10.657 1.00 56.87 N
337
+ ATOM 337 O LYS A 43 11.635 33.536 -8.223 1.00 84.11 O
338
+ ATOM 338 C ASP A 44 9.977 34.660 -4.454 1.00 93.02 C
339
+ ATOM 339 CA ASP A 44 10.117 34.232 -5.913 1.00 92.58 C
340
+ ATOM 340 CB ASP A 44 8.829 33.557 -6.389 1.00 91.06 C
341
+ ATOM 341 CG ASP A 44 7.779 34.548 -6.861 1.00 85.18 C
342
+ ATOM 342 N ASP A 44 11.259 33.340 -6.092 1.00 92.51 N
343
+ ATOM 343 O ASP A 44 10.735 34.208 -3.593 1.00 92.52 O
344
+ ATOM 344 OD1 ASP A 44 7.903 35.755 -6.562 1.00 82.13 O
345
+ ATOM 345 OD2 ASP A 44 6.818 34.116 -7.533 1.00 82.41 O
346
+ ATOM 346 C VAL A 45 8.324 34.814 -1.954 1.00 95.63 C
347
+ ATOM 347 CA VAL A 45 8.660 36.018 -2.831 1.00 95.61 C
348
+ ATOM 348 CB VAL A 45 7.524 37.063 -2.759 1.00 94.81 C
349
+ ATOM 349 CG1 VAL A 45 7.319 37.539 -1.322 1.00 90.72 C
350
+ ATOM 350 CG2 VAL A 45 7.829 38.245 -3.679 1.00 90.79 C
351
+ ATOM 351 N VAL A 45 8.900 35.580 -4.202 1.00 95.28 N
352
+ ATOM 352 O VAL A 45 7.480 33.991 -2.316 1.00 95.32 O
353
+ ATOM 353 C ALA A 46 8.775 33.949 1.525 1.00 96.08 C
354
+ ATOM 354 CA ALA A 46 8.817 33.543 0.056 1.00 95.91 C
355
+ ATOM 355 CB ALA A 46 9.942 32.539 -0.184 1.00 95.33 C
356
+ ATOM 356 N ALA A 46 8.985 34.710 -0.807 1.00 95.72 N
357
+ ATOM 357 O ALA A 46 9.404 34.932 1.923 1.00 95.92 O
358
+ ATOM 358 C PHE A 47 9.369 33.121 4.371 1.00 96.04 C
359
+ ATOM 359 CA PHE A 47 7.994 33.389 3.773 1.00 96.01 C
360
+ ATOM 360 CB PHE A 47 6.950 32.482 4.432 1.00 95.55 C
361
+ ATOM 361 CD1 PHE A 47 5.347 34.257 5.214 1.00 89.20 C
362
+ ATOM 362 CD2 PHE A 47 4.506 32.490 3.840 1.00 88.93 C
363
+ ATOM 363 CE1 PHE A 47 4.075 34.821 5.276 1.00 89.50 C
364
+ ATOM 364 CE2 PHE A 47 3.233 33.048 3.897 1.00 88.95 C
365
+ ATOM 365 CG PHE A 47 5.573 33.088 4.497 1.00 93.61 C
366
+ ATOM 366 CZ PHE A 47 3.019 34.212 4.617 1.00 88.12 C
367
+ ATOM 367 N PHE A 47 8.009 33.188 2.329 1.00 95.86 N
368
+ ATOM 368 O PHE A 47 10.073 32.207 3.938 1.00 95.72 O
369
+ ATOM 369 C LEU A 48 10.215 33.155 7.653 1.00 96.09 C
370
+ ATOM 370 CA LEU A 48 10.786 33.594 6.309 1.00 96.28 C
371
+ ATOM 371 CB LEU A 48 11.683 34.821 6.498 1.00 95.99 C
372
+ ATOM 372 CD1 LEU A 48 13.267 36.542 5.596 1.00 92.86 C
373
+ ATOM 373 CD2 LEU A 48 13.317 34.200 4.696 1.00 92.44 C
374
+ ATOM 374 CG LEU A 48 12.434 35.310 5.259 1.00 95.00 C
375
+ ATOM 375 N LEU A 48 9.717 33.885 5.359 1.00 96.27 N
376
+ ATOM 376 O LEU A 48 9.126 33.586 8.040 1.00 95.63 O
377
+ ATOM 377 C GLY A 49 10.647 32.816 10.796 1.00 95.24 C
378
+ ATOM 378 CA GLY A 49 10.485 31.774 9.705 1.00 95.37 C
379
+ ATOM 379 N GLY A 49 10.897 32.249 8.394 1.00 95.35 N
380
+ ATOM 380 O GLY A 49 11.195 32.527 11.862 1.00 94.43 O
381
+ ATOM 381 C ILE A 50 8.876 35.841 11.504 1.00 95.26 C
382
+ ATOM 382 CA ILE A 50 10.236 35.170 11.340 1.00 95.54 C
383
+ ATOM 383 CB ILE A 50 11.273 36.182 10.805 1.00 95.18 C
384
+ ATOM 384 CD1 ILE A 50 13.651 36.350 9.864 1.00 91.74 C
385
+ ATOM 385 CG1 ILE A 50 12.636 35.504 10.620 1.00 93.69 C
386
+ ATOM 386 CG2 ILE A 50 11.385 37.387 11.744 1.00 93.48 C
387
+ ATOM 387 N ILE A 50 10.114 34.014 10.457 1.00 95.51 N
388
+ ATOM 388 O ILE A 50 8.150 36.036 10.525 1.00 94.66 O
389
+ ATOM 389 C THR A 51 7.499 37.818 14.225 1.00 94.69 C
390
+ ATOM 390 CA THR A 51 7.355 36.834 13.068 1.00 94.94 C
391
+ ATOM 391 CB THR A 51 6.271 35.794 13.408 1.00 93.78 C
392
+ ATOM 392 CG2 THR A 51 6.763 34.816 14.471 1.00 81.62 C
393
+ ATOM 393 N THR A 51 8.631 36.193 12.771 1.00 95.00 N
394
+ ATOM 394 O THR A 51 8.434 37.713 15.023 1.00 93.80 O
395
+ ATOM 395 OG1 THR A 51 5.106 36.468 13.897 1.00 81.05 O
396
+ ATOM 396 C ASP A 52 4.945 39.625 15.966 1.00 91.59 C
397
+ ATOM 397 CA ASP A 52 6.353 39.706 15.380 1.00 93.13 C
398
+ ATOM 398 CB ASP A 52 6.682 41.152 15.001 1.00 92.32 C
399
+ ATOM 399 CG ASP A 52 5.653 41.770 14.070 1.00 92.15 C
400
+ ATOM 400 N ASP A 52 6.491 38.829 14.221 1.00 93.39 N
401
+ ATOM 401 O ASP A 52 4.392 40.633 16.409 1.00 87.96 O
402
+ ATOM 402 OD1 ASP A 52 4.788 41.036 13.544 1.00 90.05 O
403
+ ATOM 403 OD2 ASP A 52 5.711 43.001 13.859 1.00 89.21 O
404
+ ATOM 404 C GLN A 53 2.944 38.375 17.982 1.00 90.25 C
405
+ ATOM 405 CA GLN A 53 3.034 38.229 16.466 1.00 91.31 C
406
+ ATOM 406 CB GLN A 53 2.551 36.842 16.042 1.00 89.92 C
407
+ ATOM 407 CD GLN A 53 1.738 35.349 14.166 1.00 82.66 C
408
+ ATOM 408 CG GLN A 53 2.173 36.745 14.569 1.00 85.41 C
409
+ ATOM 409 N GLN A 53 4.396 38.464 15.995 1.00 91.75 N
410
+ ATOM 410 NE2 GLN A 53 0.754 35.268 13.277 1.00 79.61 N
411
+ ATOM 411 O GLN A 53 1.920 38.814 18.508 1.00 88.08 O
412
+ ATOM 412 OE1 GLN A 53 2.283 34.350 14.648 1.00 80.40 O
413
+ ATOM 413 C ARG A 54 4.007 39.598 20.594 1.00 90.49 C
414
+ ATOM 414 CA ARG A 54 3.909 38.148 20.132 1.00 90.64 C
415
+ ATOM 415 CB ARG A 54 5.036 37.321 20.754 1.00 88.67 C
416
+ ATOM 416 CD ARG A 54 5.927 36.178 22.814 1.00 74.88 C
417
+ ATOM 417 CG ARG A 54 4.960 37.220 22.269 1.00 79.18 C
418
+ ATOM 418 CZ ARG A 54 8.372 35.822 22.908 1.00 68.21 C
419
+ ATOM 419 N ARG A 54 3.952 38.059 18.675 1.00 90.96 N
420
+ ATOM 420 NE ARG A 54 7.310 36.499 22.479 1.00 69.23 N
421
+ ATOM 421 NH1 ARG A 54 8.227 34.767 23.702 1.00 54.86 N
422
+ ATOM 422 NH2 ARG A 54 9.587 36.201 22.541 1.00 49.65 N
423
+ ATOM 423 O ARG A 54 3.242 40.032 21.458 1.00 89.06 O
424
+ ATOM 424 C THR A 55 5.503 42.457 19.027 1.00 90.46 C
425
+ ATOM 425 CA THR A 55 5.188 41.689 20.307 1.00 90.10 C
426
+ ATOM 426 CB THR A 55 6.332 41.884 21.320 1.00 89.00 C
427
+ ATOM 427 CG2 THR A 55 6.442 43.343 21.750 1.00 84.99 C
428
+ ATOM 428 N THR A 55 4.970 40.274 20.022 1.00 89.53 N
429
+ ATOM 429 O THR A 55 6.492 42.168 18.350 1.00 89.85 O
430
+ ATOM 430 OG1 THR A 55 6.082 41.074 22.475 1.00 85.80 O
431
+ ATOM 431 C GLU A 56 6.282 44.790 17.510 1.00 90.05 C
432
+ ATOM 432 CA GLU A 56 4.878 44.196 17.574 1.00 89.98 C
433
+ ATOM 433 CB GLU A 56 3.832 45.312 17.523 1.00 88.01 C
434
+ ATOM 434 CD GLU A 56 3.556 45.371 14.997 1.00 77.94 C
435
+ ATOM 435 CG GLU A 56 3.894 46.154 16.257 1.00 81.79 C
436
+ ATOM 436 N GLU A 56 4.704 43.385 18.776 1.00 89.46 N
437
+ ATOM 437 O GLU A 56 6.761 45.373 18.484 1.00 88.54 O
438
+ ATOM 438 OE1 GLU A 56 2.960 44.275 15.106 1.00 78.03 O
439
+ ATOM 439 OE2 GLU A 56 3.890 45.857 13.894 1.00 75.86 O
440
+ ATOM 440 C ASN A 57 9.341 44.427 16.738 1.00 90.51 C
441
+ ATOM 441 CA ASN A 57 8.209 45.158 16.021 1.00 90.40 C
442
+ ATOM 442 CB ASN A 57 8.257 46.653 16.339 1.00 87.76 C
443
+ ATOM 443 CG ASN A 57 7.329 47.467 15.459 1.00 78.91 C
444
+ ATOM 444 N ASN A 57 6.906 44.601 16.371 1.00 90.09 N
445
+ ATOM 445 ND2 ASN A 57 6.632 48.425 16.058 1.00 71.43 N
446
+ ATOM 446 O ASN A 57 10.490 44.872 16.707 1.00 89.30 O
447
+ ATOM 447 OD1 ASN A 57 7.239 47.237 14.250 1.00 71.99 O
448
+ ATOM 448 C VAL A 58 9.913 41.229 17.133 1.00 92.35 C
449
+ ATOM 449 CA VAL A 58 9.934 42.519 17.950 1.00 92.36 C
450
+ ATOM 450 CB VAL A 58 9.706 42.207 19.446 1.00 91.25 C
451
+ ATOM 451 CG1 VAL A 58 10.774 41.246 19.965 1.00 86.82 C
452
+ ATOM 452 CG2 VAL A 58 9.701 43.497 20.264 1.00 86.16 C
453
+ ATOM 453 N VAL A 58 8.930 43.445 17.437 1.00 92.34 N
454
+ ATOM 454 O VAL A 58 9.085 40.347 17.375 1.00 91.37 O
455
+ ATOM 455 C PHE A 59 11.612 38.902 15.907 1.00 93.66 C
456
+ ATOM 456 CA PHE A 59 10.811 40.068 15.340 1.00 94.23 C
457
+ ATOM 457 CB PHE A 59 11.399 40.504 13.995 1.00 93.80 C
458
+ ATOM 458 CD1 PHE A 59 9.567 40.950 12.328 1.00 91.37 C
459
+ ATOM 459 CD2 PHE A 59 10.625 42.817 13.385 1.00 91.16 C
460
+ ATOM 460 CE1 PHE A 59 8.746 41.816 11.609 1.00 91.46 C
461
+ ATOM 461 CE2 PHE A 59 9.807 43.688 12.670 1.00 91.54 C
462
+ ATOM 462 CG PHE A 59 10.513 41.442 13.220 1.00 93.26 C
463
+ ATOM 463 CZ PHE A 59 8.869 43.185 11.783 1.00 90.88 C
464
+ ATOM 464 N PHE A 59 10.788 41.185 16.277 1.00 93.82 N
465
+ ATOM 465 O PHE A 59 12.775 39.066 16.283 1.00 92.62 O
466
+ ATOM 466 C GLU A 60 11.414 35.371 15.527 1.00 94.33 C
467
+ ATOM 467 CA GLU A 60 11.534 36.522 16.522 1.00 94.45 C
468
+ ATOM 468 CB GLU A 60 10.826 36.162 17.831 1.00 93.41 C
469
+ ATOM 469 CD GLU A 60 10.079 36.964 20.122 1.00 85.24 C
470
+ ATOM 470 CG GLU A 60 10.977 37.213 18.921 1.00 88.36 C
471
+ ATOM 471 N GLU A 60 10.989 37.758 15.967 1.00 94.49 N
472
+ ATOM 472 O GLU A 60 10.529 35.375 14.669 1.00 93.70 O
473
+ ATOM 473 OE1 GLU A 60 9.072 36.232 19.987 1.00 82.36 O
474
+ ATOM 474 OE2 GLU A 60 10.383 37.507 21.208 1.00 82.30 O
475
+ ATOM 475 C ASP A 61 11.164 32.382 15.452 1.00 93.10 C
476
+ ATOM 476 CA ASP A 61 12.229 33.283 14.832 1.00 93.49 C
477
+ ATOM 477 CB ASP A 61 13.553 32.526 14.713 1.00 92.53 C
478
+ ATOM 478 CG ASP A 61 14.091 32.057 16.054 1.00 89.69 C
479
+ ATOM 479 N ASP A 61 12.406 34.503 15.613 1.00 93.46 N
480
+ ATOM 480 O ASP A 61 10.599 32.709 16.498 1.00 92.10 O
481
+ ATOM 481 OD1 ASP A 61 13.293 31.868 16.998 1.00 87.62 O
482
+ ATOM 482 OD2 ASP A 61 15.322 31.877 16.169 1.00 87.23 O
483
+ ATOM 483 C LEU A 62 10.044 29.712 16.509 1.00 91.28 C
484
+ ATOM 484 CA LEU A 62 9.784 30.452 15.201 1.00 92.45 C
485
+ ATOM 485 CB LEU A 62 9.467 29.451 14.089 1.00 91.61 C
486
+ ATOM 486 CD1 LEU A 62 8.732 28.930 11.748 1.00 85.77 C
487
+ ATOM 487 CD2 LEU A 62 7.748 30.893 12.964 1.00 85.68 C
488
+ ATOM 488 CG LEU A 62 8.996 30.041 12.758 1.00 89.79 C
489
+ ATOM 489 N LEU A 62 10.931 31.277 14.836 1.00 92.70 N
490
+ ATOM 490 O LEU A 62 9.152 29.041 17.035 1.00 88.75 O
491
+ ATOM 491 C THR A 63 11.545 30.415 19.488 1.00 89.27 C
492
+ ATOM 492 CA THR A 63 11.542 29.341 18.403 1.00 89.60 C
493
+ ATOM 493 CB THR A 63 12.905 28.625 18.381 1.00 87.79 C
494
+ ATOM 494 CG2 THR A 63 12.954 27.568 17.283 1.00 76.30 C
495
+ ATOM 495 N THR A 63 11.229 29.923 17.103 1.00 90.31 N
496
+ ATOM 496 O THR A 63 11.790 30.119 20.659 1.00 87.47 O
497
+ ATOM 497 OG1 THR A 63 13.940 29.589 18.147 1.00 78.45 O
498
+ ATOM 498 C GLY A 64 12.379 33.431 20.361 1.00 90.04 C
499
+ ATOM 499 CA GLY A 64 11.125 32.611 20.127 1.00 90.11 C
500
+ ATOM 500 N GLY A 64 11.301 31.571 19.126 1.00 90.05 N
501
+ ATOM 501 O GLY A 64 12.416 34.275 21.260 1.00 88.68 O
502
+ ATOM 502 C ASN A 65 14.576 35.195 18.867 1.00 92.32 C
503
+ ATOM 503 CA ASN A 65 14.624 33.928 19.716 1.00 91.92 C
504
+ ATOM 504 CB ASN A 65 15.832 33.074 19.326 1.00 90.33 C
505
+ ATOM 505 CG ASN A 65 16.031 31.888 20.250 1.00 82.45 C
506
+ ATOM 506 N ASN A 65 13.391 33.157 19.599 1.00 91.71 N
507
+ ATOM 507 ND2 ASN A 65 16.246 30.713 19.670 1.00 75.36 N
508
+ ATOM 508 O ASN A 65 14.173 35.152 17.702 1.00 91.73 O
509
+ ATOM 509 OD1 ASN A 65 15.992 32.028 21.476 1.00 76.17 O
510
+ ATOM 510 C ARG A 66 16.055 37.336 17.521 1.00 92.04 C
511
+ ATOM 511 CA ARG A 66 15.082 37.442 18.691 1.00 91.94 C
512
+ ATOM 512 CB ARG A 66 15.497 38.591 19.614 1.00 89.77 C
513
+ ATOM 513 CD ARG A 66 15.527 41.077 20.016 1.00 75.55 C
514
+ ATOM 514 CG ARG A 66 15.345 39.969 18.988 1.00 79.22 C
515
+ ATOM 515 CZ ARG A 66 15.462 43.548 20.075 1.00 66.33 C
516
+ ATOM 516 N ARG A 66 15.015 36.188 19.432 1.00 91.87 N
517
+ ATOM 517 NE ARG A 66 15.424 42.399 19.405 1.00 70.39 N
518
+ ATOM 518 NH1 ARG A 66 15.602 43.560 21.396 1.00 55.70 N
519
+ ATOM 519 NH2 ARG A 66 15.360 44.695 19.420 1.00 51.30 N
520
+ ATOM 520 O ARG A 66 17.160 36.810 17.671 1.00 91.08 O
521
+ ATOM 521 C VAL A 67 17.519 38.884 15.362 1.00 91.83 C
522
+ ATOM 522 CA VAL A 67 16.476 37.776 15.234 1.00 92.71 C
523
+ ATOM 523 CB VAL A 67 15.676 37.946 13.923 1.00 90.76 C
524
+ ATOM 524 CG1 VAL A 67 14.727 36.767 13.715 1.00 74.45 C
525
+ ATOM 525 CG2 VAL A 67 14.903 39.263 13.938 1.00 75.17 C
526
+ ATOM 526 N VAL A 67 15.601 37.784 16.402 1.00 92.93 N
527
+ ATOM 527 O VAL A 67 17.217 39.977 15.846 1.00 89.71 O
528
+ ATOM 528 C ARG A 68 20.175 40.178 13.673 1.00 92.21 C
529
+ ATOM 529 CA ARG A 68 19.859 39.603 15.050 1.00 92.02 C
530
+ ATOM 530 CB ARG A 68 21.110 38.945 15.641 1.00 89.46 C
531
+ ATOM 531 CD ARG A 68 22.251 37.964 17.659 1.00 75.20 C
532
+ ATOM 532 CG ARG A 68 20.952 38.518 17.092 1.00 78.76 C
533
+ ATOM 533 CZ ARG A 68 23.064 37.035 19.802 1.00 65.95 C
534
+ ATOM 534 N ARG A 68 18.761 38.645 14.979 1.00 92.23 N
535
+ ATOM 535 NE ARG A 68 22.081 37.488 19.029 1.00 69.04 N
536
+ ATOM 536 NH1 ARG A 68 24.313 36.986 19.353 1.00 55.58 N
537
+ ATOM 537 NH2 ARG A 68 22.797 36.627 21.034 1.00 49.98 N
538
+ ATOM 538 O ARG A 68 20.519 41.356 13.551 1.00 91.04 O
539
+ ATOM 539 C TYR A 69 18.905 40.228 10.666 1.00 94.20 C
540
+ ATOM 540 CA TYR A 69 20.218 39.794 11.306 1.00 94.38 C
541
+ ATOM 541 CB TYR A 69 20.849 38.664 10.487 1.00 94.18 C
542
+ ATOM 542 CD1 TYR A 69 21.909 39.794 8.494 1.00 93.45 C
543
+ ATOM 543 CD2 TYR A 69 20.013 38.390 8.123 1.00 93.27 C
544
+ ATOM 544 CE1 TYR A 69 21.982 40.068 7.131 1.00 92.94 C
545
+ ATOM 545 CE2 TYR A 69 20.076 38.656 6.759 1.00 93.04 C
546
+ ATOM 546 CG TYR A 69 20.925 38.954 9.009 1.00 94.13 C
547
+ ATOM 547 CZ TYR A 69 21.063 39.493 6.273 1.00 92.54 C
548
+ ATOM 548 N TYR A 69 20.011 39.373 12.687 1.00 93.91 N
549
+ ATOM 549 O TYR A 69 17.891 39.537 10.785 1.00 93.71 O
550
+ ATOM 550 OH TYR A 69 21.130 39.760 4.924 1.00 90.67 O
551
+ ATOM 551 C THR A 70 18.247 42.465 7.893 1.00 94.71 C
552
+ ATOM 552 CA THR A 70 17.810 41.879 9.232 1.00 95.06 C
553
+ ATOM 553 CB THR A 70 17.024 42.939 10.027 1.00 93.78 C
554
+ ATOM 554 CG2 THR A 70 16.606 42.404 11.392 1.00 84.87 C
555
+ ATOM 555 N THR A 70 18.962 41.398 9.987 1.00 94.90 N
556
+ ATOM 556 O THR A 70 19.389 42.906 7.745 1.00 93.83 O
557
+ ATOM 557 OG1 THR A 70 17.846 44.097 10.211 1.00 82.54 O
558
+ ATOM 558 C ASN A 71 16.357 43.559 5.068 1.00 95.62 C
559
+ ATOM 559 CA ASN A 71 17.619 42.927 5.650 1.00 95.81 C
560
+ ATOM 560 CB ASN A 71 18.156 41.849 4.705 1.00 95.29 C
561
+ ATOM 561 CG ASN A 71 18.857 42.431 3.493 1.00 93.62 C
562
+ ATOM 562 N ASN A 71 17.378 42.371 6.976 1.00 95.80 N
563
+ ATOM 563 ND2 ASN A 71 18.972 41.636 2.435 1.00 91.31 N
564
+ ATOM 564 O ASN A 71 15.889 43.154 4.003 1.00 94.81 O
565
+ ATOM 565 OD1 ASN A 71 19.293 43.586 3.507 1.00 90.12 O
566
+ ATOM 566 C TRP A 72 14.600 46.002 4.063 1.00 95.51 C
567
+ ATOM 567 CA TRP A 72 14.525 45.179 5.345 1.00 96.23 C
568
+ ATOM 568 CB TRP A 72 14.024 46.052 6.499 1.00 95.77 C
569
+ ATOM 569 CD1 TRP A 72 14.517 45.346 8.916 1.00 88.65 C
570
+ ATOM 570 CD2 TRP A 72 12.707 44.377 8.020 1.00 89.40 C
571
+ ATOM 571 CE2 TRP A 72 12.864 43.905 9.341 1.00 90.46 C
572
+ ATOM 572 CE3 TRP A 72 11.632 43.906 7.254 1.00 90.10 C
573
+ ATOM 573 CG TRP A 72 13.774 45.297 7.770 1.00 93.78 C
574
+ ATOM 574 CH2 TRP A 72 10.942 42.539 9.144 1.00 89.60 C
575
+ ATOM 575 CZ2 TRP A 72 11.986 42.983 9.915 1.00 91.08 C
576
+ ATOM 576 CZ3 TRP A 72 10.758 42.989 7.826 1.00 90.02 C
577
+ ATOM 577 N TRP A 72 15.823 44.597 5.668 1.00 95.87 N
578
+ ATOM 578 NE1 TRP A 72 13.975 44.510 9.866 1.00 92.75 N
579
+ ATOM 579 O TRP A 72 15.614 46.651 3.794 1.00 94.24 O
580
+ ATOM 580 C ASN A 73 13.144 48.297 2.759 1.00 95.48 C
581
+ ATOM 581 CA ASN A 73 13.394 46.879 2.255 1.00 96.01 C
582
+ ATOM 582 CB ASN A 73 12.244 46.424 1.355 1.00 95.30 C
583
+ ATOM 583 CG ASN A 73 12.328 47.009 -0.041 1.00 90.05 C
584
+ ATOM 584 N ASN A 73 13.581 45.943 3.359 1.00 96.21 N
585
+ ATOM 585 ND2 ASN A 73 11.180 47.372 -0.601 1.00 85.15 N
586
+ ATOM 586 O ASN A 73 12.684 48.488 3.886 1.00 94.36 O
587
+ ATOM 587 OD1 ASN A 73 13.415 47.133 -0.611 1.00 83.67 O
588
+ ATOM 588 C GLU A 74 11.798 50.907 2.675 1.00 93.71 C
589
+ ATOM 589 CA GLU A 74 13.241 50.666 2.244 1.00 94.37 C
590
+ ATOM 590 CB GLU A 74 13.604 51.591 1.079 1.00 92.36 C
591
+ ATOM 591 CD GLU A 74 14.084 53.966 0.317 1.00 77.98 C
592
+ ATOM 592 CG GLU A 74 13.601 53.069 1.445 1.00 83.18 C
593
+ ATOM 593 N GLU A 74 13.457 49.270 1.875 1.00 94.48 N
594
+ ATOM 594 O GLU A 74 10.862 50.526 1.969 1.00 92.19 O
595
+ ATOM 595 OE1 GLU A 74 14.436 53.445 -0.766 1.00 78.83 O
596
+ ATOM 596 OE2 GLU A 74 14.113 55.202 0.517 1.00 77.36 O
597
+ ATOM 597 C GLY A 75 9.661 50.699 5.122 1.00 93.28 C
598
+ ATOM 598 CA GLY A 75 10.301 51.835 4.345 1.00 93.91 C
599
+ ATOM 599 N GLY A 75 11.626 51.508 3.842 1.00 93.81 N
600
+ ATOM 600 O GLY A 75 8.540 50.834 5.615 1.00 91.72 O
601
+ ATOM 601 C GLU A 76 10.573 48.072 7.260 1.00 92.68 C
602
+ ATOM 602 CA GLU A 76 9.779 48.302 5.978 1.00 94.36 C
603
+ ATOM 603 CB GLU A 76 9.816 47.047 5.103 1.00 91.92 C
604
+ ATOM 604 CD GLU A 76 7.551 47.344 3.993 1.00 74.55 C
605
+ ATOM 605 CG GLU A 76 9.050 47.185 3.796 1.00 83.57 C
606
+ ATOM 606 N GLU A 76 10.287 49.456 5.242 1.00 93.50 N
607
+ ATOM 607 O GLU A 76 11.722 48.505 7.370 1.00 89.10 O
608
+ ATOM 608 OE1 GLU A 76 7.043 47.002 5.085 1.00 82.74 O
609
+ ATOM 609 OE2 GLU A 76 6.879 47.814 3.048 1.00 82.80 O
610
+ ATOM 610 C PRO A 77 7.650 48.126 8.538 1.00 91.91 C
611
+ ATOM 611 CA PRO A 77 8.584 46.959 8.224 1.00 93.96 C
612
+ ATOM 612 CB PRO A 77 8.640 45.973 9.392 1.00 92.95 C
613
+ ATOM 613 CD PRO A 77 10.818 47.055 9.351 1.00 89.76 C
614
+ ATOM 614 CG PRO A 77 9.771 46.453 10.244 1.00 91.76 C
615
+ ATOM 615 N PRO A 77 9.980 47.378 8.068 1.00 93.36 N
616
+ ATOM 616 O PRO A 77 8.023 49.037 9.281 1.00 88.37 O
617
+ ATOM 617 C ASN A 78 4.280 48.943 8.811 1.00 89.38 C
618
+ ATOM 618 CA ASN A 78 5.634 49.341 8.232 1.00 91.73 C
619
+ ATOM 619 CB ASN A 78 5.447 50.111 6.923 1.00 90.13 C
620
+ ATOM 620 CG ASN A 78 4.883 49.245 5.812 1.00 87.47 C
621
+ ATOM 621 N ASN A 78 6.492 48.179 8.024 1.00 92.20 N
622
+ ATOM 622 ND2 ASN A 78 4.836 49.790 4.602 1.00 84.42 N
623
+ ATOM 623 O ASN A 78 3.437 49.801 9.077 1.00 85.38 O
624
+ ATOM 624 OD1 ASN A 78 4.494 48.097 6.040 1.00 83.35 O
625
+ ATOM 625 C ASN A 79 1.616 47.993 8.838 1.00 77.55 C
626
+ ATOM 626 CA ASN A 79 2.774 47.275 9.525 1.00 87.23 C
627
+ ATOM 627 CB ASN A 79 2.716 47.501 11.037 1.00 80.31 C
628
+ ATOM 628 CG ASN A 79 1.630 46.685 11.709 1.00 70.04 C
629
+ ATOM 629 N ASN A 79 4.063 47.705 8.992 1.00 88.13 N
630
+ ATOM 630 ND2 ASN A 79 1.053 47.228 12.775 1.00 62.03 N
631
+ ATOM 631 O ASN A 79 0.692 48.466 9.502 1.00 66.89 O
632
+ ATOM 632 OD1 ASN A 79 1.313 45.575 11.275 1.00 59.61 O
633
+ ATOM 633 C VAL A 80 -0.781 48.054 6.877 1.00 73.00 C
634
+ ATOM 634 CA VAL A 80 0.526 48.837 6.783 1.00 79.34 C
635
+ ATOM 635 CB VAL A 80 0.914 49.051 5.303 1.00 72.85 C
636
+ ATOM 636 CG1 VAL A 80 -0.240 49.684 4.528 1.00 60.95 C
637
+ ATOM 637 CG2 VAL A 80 2.169 49.917 5.201 1.00 58.88 C
638
+ ATOM 638 N VAL A 80 1.575 48.136 7.517 1.00 81.08 N
639
+ ATOM 639 O VAL A 80 -0.819 46.859 6.576 1.00 64.39 O
640
+ ATOM 640 C GLY A 81 -3.127 46.932 9.532 1.00 67.92 C
641
+ ATOM 641 CA GLY A 81 -3.021 47.629 8.189 1.00 67.84 C
642
+ ATOM 642 N GLY A 81 -1.700 48.179 7.932 1.00 68.47 N
643
+ ATOM 643 O GLY A 81 -4.105 46.230 9.798 1.00 63.04 O
644
+ ATOM 644 C SER A 82 -2.270 45.129 11.831 1.00 74.08 C
645
+ ATOM 645 CA SER A 82 -2.174 46.651 11.818 1.00 76.33 C
646
+ ATOM 646 CB SER A 82 -3.306 47.247 12.657 1.00 65.77 C
647
+ ATOM 647 N SER A 82 -2.217 47.172 10.456 1.00 76.31 N
648
+ ATOM 648 O SER A 82 -2.513 44.525 12.878 1.00 65.84 O
649
+ ATOM 649 OG SER A 82 -4.564 47.002 12.052 1.00 51.21 O
650
+ ATOM 650 C GLY A 83 -0.776 42.347 10.002 1.00 86.40 C
651
+ ATOM 651 CA GLY A 83 -1.960 43.028 10.663 1.00 84.58 C
652
+ ATOM 652 N GLY A 83 -1.847 44.478 10.685 1.00 83.84 N
653
+ ATOM 653 O GLY A 83 -0.816 41.145 9.730 1.00 84.27 O
654
+ ATOM 654 C GLU A 84 2.384 42.099 10.033 1.00 91.85 C
655
+ ATOM 655 CA GLU A 84 1.367 42.583 9.005 1.00 92.54 C
656
+ ATOM 656 CB GLU A 84 2.009 43.617 8.076 1.00 90.52 C
657
+ ATOM 657 CD GLU A 84 1.798 45.004 5.959 1.00 84.00 C
658
+ ATOM 658 CG GLU A 84 1.119 44.036 6.915 1.00 86.96 C
659
+ ATOM 659 N GLU A 84 0.184 43.141 9.655 1.00 91.12 N
660
+ ATOM 660 O GLU A 84 3.310 42.830 10.391 1.00 90.07 O
661
+ ATOM 661 OE1 GLU A 84 2.700 45.756 6.395 1.00 86.57 O
662
+ ATOM 662 OE2 GLU A 84 1.423 45.012 4.764 1.00 87.80 O
663
+ ATOM 663 C ASN A 85 4.151 39.254 10.956 1.00 94.35 C
664
+ ATOM 664 CA ASN A 85 3.172 40.316 11.448 1.00 94.18 C
665
+ ATOM 665 CB ASN A 85 2.270 39.741 12.543 1.00 92.75 C
666
+ ATOM 666 CG ASN A 85 1.429 40.804 13.224 1.00 86.83 C
667
+ ATOM 667 N ASN A 85 2.369 40.853 10.354 1.00 93.73 N
668
+ ATOM 668 ND2 ASN A 85 0.192 40.455 13.558 1.00 78.21 N
669
+ ATOM 669 O ASN A 85 4.891 38.671 11.751 1.00 93.70 O
670
+ ATOM 670 OD1 ASN A 85 1.887 41.927 13.446 1.00 78.75 O
671
+ ATOM 671 C CYS A 86 5.939 38.478 8.195 1.00 95.21 C
672
+ ATOM 672 CA CYS A 86 4.964 37.851 9.184 1.00 95.01 C
673
+ ATOM 673 CB CYS A 86 4.168 36.742 8.496 1.00 93.89 C
674
+ ATOM 674 N CYS A 86 4.066 38.856 9.740 1.00 94.78 N
675
+ ATOM 675 O CYS A 86 5.710 39.587 7.709 1.00 94.88 O
676
+ ATOM 676 SG CYS A 86 3.199 35.729 9.633 1.00 84.10 S
677
+ ATOM 677 C VAL A 87 8.255 37.550 5.840 1.00 96.09 C
678
+ ATOM 678 CA VAL A 87 8.088 38.354 7.128 1.00 96.08 C
679
+ ATOM 679 CB VAL A 87 9.420 38.388 7.912 1.00 95.76 C
680
+ ATOM 680 CG1 VAL A 87 10.529 39.012 7.067 1.00 94.91 C
681
+ ATOM 681 CG2 VAL A 87 9.248 39.153 9.223 1.00 94.82 C
682
+ ATOM 682 N VAL A 87 7.009 37.788 7.929 1.00 95.92 N
683
+ ATOM 683 O VAL A 87 8.245 36.317 5.867 1.00 95.86 O
684
+ ATOM 684 C VAL A 88 10.073 38.153 2.937 1.00 96.43 C
685
+ ATOM 685 CA VAL A 88 8.762 37.613 3.502 1.00 96.42 C
686
+ ATOM 686 CB VAL A 88 7.620 37.811 2.481 1.00 96.06 C
687
+ ATOM 687 CG1 VAL A 88 6.349 37.105 2.949 1.00 94.52 C
688
+ ATOM 688 CG2 VAL A 88 7.357 39.299 2.256 1.00 94.51 C
689
+ ATOM 689 N VAL A 88 8.465 38.268 4.771 1.00 96.40 N
690
+ ATOM 690 O VAL A 88 10.464 39.285 3.228 1.00 96.16 O
691
+ ATOM 691 C LEU A 89 11.443 37.985 -0.047 1.00 96.37 C
692
+ ATOM 692 CA LEU A 89 11.871 37.638 1.374 1.00 96.57 C
693
+ ATOM 693 CB LEU A 89 12.859 36.469 1.350 1.00 96.16 C
694
+ ATOM 694 CD1 LEU A 89 15.048 37.691 1.434 1.00 87.51 C
695
+ ATOM 695 CD2 LEU A 89 14.927 35.406 0.401 1.00 86.60 C
696
+ ATOM 696 CG LEU A 89 14.188 36.720 0.633 1.00 93.81 C
697
+ ATOM 697 N LEU A 89 10.714 37.310 2.201 1.00 96.65 N
698
+ ATOM 698 O LEU A 89 10.888 37.143 -0.757 1.00 95.79 O
699
+ ATOM 699 C LEU A 90 12.416 39.153 -2.858 1.00 95.52 C
700
+ ATOM 700 CA LEU A 90 11.398 39.658 -1.841 1.00 95.80 C
701
+ ATOM 701 CB LEU A 90 11.331 41.187 -1.883 1.00 95.26 C
702
+ ATOM 702 CD1 LEU A 90 10.504 43.367 -0.963 1.00 89.76 C
703
+ ATOM 703 CD2 LEU A 90 8.926 41.431 -1.206 1.00 89.17 C
704
+ ATOM 704 CG LEU A 90 10.361 41.850 -0.904 1.00 93.35 C
705
+ ATOM 705 N LEU A 90 11.735 39.198 -0.497 1.00 95.93 N
706
+ ATOM 706 O LEU A 90 13.473 38.640 -2.483 1.00 94.85 O
707
+ ATOM 707 C THR A 91 14.300 39.618 -5.195 1.00 93.19 C
708
+ ATOM 708 CA THR A 91 12.976 38.861 -5.156 1.00 93.88 C
709
+ ATOM 709 CB THR A 91 12.283 38.963 -6.528 1.00 92.54 C
710
+ ATOM 710 CG2 THR A 91 11.066 38.045 -6.598 1.00 85.05 C
711
+ ATOM 711 N THR A 91 12.119 39.371 -4.092 1.00 94.18 N
712
+ ATOM 712 O THR A 91 15.282 39.132 -5.759 1.00 91.69 O
713
+ ATOM 713 OG1 THR A 91 11.860 40.315 -6.744 1.00 86.11 O
714
+ ATOM 714 C ASN A 92 16.409 41.209 -3.289 1.00 93.92 C
715
+ ATOM 715 CA ASN A 92 15.581 41.562 -4.521 1.00 93.95 C
716
+ ATOM 716 CB ASN A 92 15.293 43.064 -4.554 1.00 93.21 C
717
+ ATOM 717 CG ASN A 92 14.517 43.538 -3.340 1.00 91.01 C
718
+ ATOM 718 N ASN A 92 14.336 40.802 -4.566 1.00 94.03 N
719
+ ATOM 719 ND2 ASN A 92 14.215 44.830 -3.298 1.00 89.44 N
720
+ ATOM 720 O ASN A 92 17.453 41.814 -3.044 1.00 93.17 O
721
+ ATOM 721 OD1 ASN A 92 14.193 42.749 -2.450 1.00 88.91 O
722
+ ATOM 722 C GLY A 93 16.365 40.617 -0.064 1.00 94.72 C
723
+ ATOM 723 CA GLY A 93 16.687 39.856 -1.335 1.00 94.74 C
724
+ ATOM 724 N GLY A 93 15.927 40.319 -2.487 1.00 94.46 N
725
+ ATOM 725 O GLY A 93 16.884 40.294 1.008 1.00 94.15 O
726
+ ATOM 726 C LYS A 94 13.830 41.929 1.580 1.00 96.56 C
727
+ ATOM 727 CA LYS A 94 15.094 42.489 0.936 1.00 96.45 C
728
+ ATOM 728 CB LYS A 94 14.868 43.942 0.515 1.00 95.77 C
729
+ ATOM 729 CD LYS A 94 17.162 44.856 1.002 1.00 85.29 C
730
+ ATOM 730 CE LYS A 94 18.314 45.698 0.469 1.00 77.89 C
731
+ ATOM 731 CG LYS A 94 16.101 44.618 -0.065 1.00 90.48 C
732
+ ATOM 732 N LYS A 94 15.505 41.681 -0.209 1.00 96.43 N
733
+ ATOM 733 NZ LYS A 94 19.224 46.148 1.563 1.00 71.87 N
734
+ ATOM 734 O LYS A 94 13.136 41.104 0.982 1.00 96.38 O
735
+ ATOM 735 C TRP A 95 11.232 42.791 3.632 1.00 95.99 C
736
+ ATOM 736 CA TRP A 95 12.413 41.827 3.620 1.00 96.42 C
737
+ ATOM 737 CB TRP A 95 12.851 41.519 5.054 1.00 96.24 C
738
+ ATOM 738 CD1 TRP A 95 14.588 39.878 4.115 1.00 92.47 C
739
+ ATOM 739 CD2 TRP A 95 14.631 40.094 6.343 1.00 92.70 C
740
+ ATOM 740 CE2 TRP A 95 15.626 39.169 5.959 1.00 93.33 C
741
+ ATOM 741 CE3 TRP A 95 14.470 40.393 7.702 1.00 95.01 C
742
+ ATOM 742 CG TRP A 95 13.980 40.536 5.147 1.00 95.26 C
743
+ ATOM 743 CH2 TRP A 95 16.279 38.849 8.212 1.00 93.75 C
744
+ ATOM 744 CZ2 TRP A 95 16.458 38.539 6.888 1.00 94.37 C
745
+ ATOM 745 CZ3 TRP A 95 15.299 39.765 8.625 1.00 94.27 C
746
+ ATOM 746 N TRP A 95 13.525 42.375 2.850 1.00 96.31 N
747
+ ATOM 747 NE1 TRP A 95 15.580 39.055 4.596 1.00 95.43 N
748
+ ATOM 748 O TRP A 95 11.416 44.010 3.587 1.00 95.04 O
749
+ ATOM 749 C ASN A 96 7.951 42.267 4.941 1.00 95.83 C
750
+ ATOM 750 CA ASN A 96 8.832 42.961 3.906 1.00 95.98 C
751
+ ATOM 751 CB ASN A 96 8.082 43.104 2.580 1.00 95.35 C
752
+ ATOM 752 CG ASN A 96 6.887 44.032 2.683 1.00 91.68 C
753
+ ATOM 753 N ASN A 96 10.090 42.249 3.709 1.00 96.06 N
754
+ ATOM 754 ND2 ASN A 96 5.848 43.748 1.906 1.00 87.17 N
755
+ ATOM 755 O ASN A 96 7.869 41.037 4.969 1.00 95.34 O
756
+ ATOM 756 OD1 ASN A 96 6.899 44.996 3.453 1.00 86.53 O
757
+ ATOM 757 C ASP A 97 4.916 42.370 6.034 1.00 94.40 C
758
+ ATOM 758 CA ASP A 97 6.282 42.447 6.712 1.00 95.19 C
759
+ ATOM 759 CB ASP A 97 6.175 43.225 8.024 1.00 94.75 C
760
+ ATOM 760 CG ASP A 97 5.720 44.660 7.828 1.00 94.33 C
761
+ ATOM 761 N ASP A 97 7.271 43.061 5.832 1.00 95.14 N
762
+ ATOM 762 O ASP A 97 4.487 43.324 5.381 1.00 93.14 O
763
+ ATOM 763 OD1 ASP A 97 6.092 45.283 6.810 1.00 93.22 O
764
+ ATOM 764 OD2 ASP A 97 4.986 45.174 8.700 1.00 92.70 O
765
+ ATOM 765 C VAL A 98 2.008 40.302 6.494 1.00 94.36 C
766
+ ATOM 766 CA VAL A 98 2.959 40.997 5.522 1.00 94.63 C
767
+ ATOM 767 CB VAL A 98 3.169 40.123 4.265 1.00 94.16 C
768
+ ATOM 768 CG1 VAL A 98 4.046 40.847 3.245 1.00 91.76 C
769
+ ATOM 769 CG2 VAL A 98 3.784 38.779 4.645 1.00 91.58 C
770
+ ATOM 770 N VAL A 98 4.224 41.286 6.190 1.00 94.68 N
771
+ ATOM 771 O VAL A 98 2.426 39.844 7.560 1.00 93.64 O
772
+ ATOM 772 C PRO A 99 0.213 37.908 6.862 1.00 93.83 C
773
+ ATOM 773 CA PRO A 99 -0.168 39.386 6.912 1.00 93.75 C
774
+ ATOM 774 CB PRO A 99 -1.536 39.619 6.267 1.00 92.91 C
775
+ ATOM 775 CD PRO A 99 -0.013 41.070 5.047 1.00 89.86 C
776
+ ATOM 776 CG PRO A 99 -1.412 40.938 5.574 1.00 90.83 C
777
+ ATOM 777 N PRO A 99 0.729 40.229 6.116 1.00 93.57 N
778
+ ATOM 778 O PRO A 99 0.604 37.403 5.807 1.00 93.37 O
779
+ ATOM 779 C CYS A 100 -0.486 35.026 7.251 1.00 93.49 C
780
+ ATOM 780 CA CYS A 100 0.456 35.905 8.065 1.00 94.05 C
781
+ ATOM 781 CB CYS A 100 0.441 35.464 9.528 1.00 93.28 C
782
+ ATOM 782 N CYS A 100 0.085 37.311 7.952 1.00 93.88 N
783
+ ATOM 783 O CYS A 100 -0.183 33.862 6.987 1.00 92.34 O
784
+ ATOM 784 SG CYS A 100 1.609 36.365 10.571 1.00 93.29 S
785
+ ATOM 785 C SER A 101 -2.512 34.951 4.667 1.00 93.44 C
786
+ ATOM 786 CA SER A 101 -2.716 34.874 6.176 1.00 93.57 C
787
+ ATOM 787 CB SER A 101 -4.101 35.409 6.540 1.00 92.43 C
788
+ ATOM 788 N SER A 101 -1.679 35.613 6.889 1.00 93.70 N
789
+ ATOM 789 O SER A 101 -3.199 34.267 3.907 1.00 92.59 O
790
+ ATOM 790 OG SER A 101 -4.234 36.766 6.152 1.00 83.44 O
791
+ ATOM 791 C ASP A 102 -0.573 34.611 2.342 1.00 93.77 C
792
+ ATOM 792 CA ASP A 102 -1.328 35.859 2.795 1.00 93.70 C
793
+ ATOM 793 CB ASP A 102 -0.501 37.111 2.494 1.00 92.82 C
794
+ ATOM 794 CG ASP A 102 -1.332 38.383 2.493 1.00 88.77 C
795
+ ATOM 795 N ASP A 102 -1.651 35.789 4.217 1.00 93.65 N
796
+ ATOM 796 O ASP A 102 -0.018 33.881 3.165 1.00 93.28 O
797
+ ATOM 797 OD1 ASP A 102 -2.559 38.311 2.721 1.00 85.35 O
798
+ ATOM 798 OD2 ASP A 102 -0.754 39.466 2.258 1.00 85.51 O
799
+ ATOM 799 C SER A 103 1.274 33.521 -0.267 1.00 94.25 C
800
+ ATOM 800 CA SER A 103 0.017 33.207 0.537 1.00 94.46 C
801
+ ATOM 801 CB SER A 103 -0.981 32.446 -0.339 1.00 93.09 C
802
+ ATOM 802 N SER A 103 -0.591 34.423 1.067 1.00 94.28 N
803
+ ATOM 803 O SER A 103 1.242 34.346 -1.183 1.00 93.53 O
804
+ ATOM 804 OG SER A 103 -2.062 31.959 0.437 1.00 81.13 O
805
+ ATOM 805 C PHE A 104 4.306 31.616 -0.658 1.00 95.04 C
806
+ ATOM 806 CA PHE A 104 3.614 32.971 -0.571 1.00 95.31 C
807
+ ATOM 807 CB PHE A 104 4.518 33.976 0.149 1.00 95.03 C
808
+ ATOM 808 CD1 PHE A 104 4.032 36.237 -0.844 1.00 92.67 C
809
+ ATOM 809 CD2 PHE A 104 3.297 35.792 1.387 1.00 92.40 C
810
+ ATOM 810 CE1 PHE A 104 3.497 37.521 -0.769 1.00 92.31 C
811
+ ATOM 811 CE2 PHE A 104 2.759 37.074 1.469 1.00 92.46 C
812
+ ATOM 812 CG PHE A 104 3.938 35.363 0.233 1.00 94.32 C
813
+ ATOM 813 CZ PHE A 104 2.861 37.936 0.390 1.00 91.65 C
814
+ ATOM 814 N PHE A 104 2.330 32.854 0.110 1.00 95.06 N
815
+ ATOM 815 O PHE A 104 3.867 30.648 -0.034 1.00 94.42 O
816
+ ATOM 816 C LEU A 105 6.788 30.176 -0.103 1.00 95.27 C
817
+ ATOM 817 CA LEU A 105 6.135 30.357 -1.470 1.00 95.27 C
818
+ ATOM 818 CB LEU A 105 7.211 30.430 -2.556 1.00 94.27 C
819
+ ATOM 819 CD1 LEU A 105 7.892 30.524 -4.967 1.00 80.30 C
820
+ ATOM 820 CD2 LEU A 105 5.853 29.227 -4.291 1.00 80.00 C
821
+ ATOM 821 CG LEU A 105 6.713 30.453 -4.002 1.00 88.72 C
822
+ ATOM 822 N LEU A 105 5.302 31.554 -1.493 1.00 95.26 N
823
+ ATOM 823 O LEU A 105 6.830 31.113 0.698 1.00 94.77 O
824
+ ATOM 824 C VAL A 106 9.290 28.015 1.145 1.00 93.73 C
825
+ ATOM 825 CA VAL A 106 7.950 28.684 1.448 1.00 93.91 C
826
+ ATOM 826 CB VAL A 106 7.103 27.785 2.376 1.00 91.81 C
827
+ ATOM 827 CG1 VAL A 106 6.819 26.438 1.711 1.00 69.48 C
828
+ ATOM 828 CG2 VAL A 106 7.810 27.584 3.715 1.00 69.65 C
829
+ ATOM 829 N VAL A 106 7.251 28.977 0.201 1.00 93.97 N
830
+ ATOM 830 O VAL A 106 9.389 27.199 0.227 1.00 92.67 O
831
+ ATOM 831 C VAL A 107 11.766 26.997 3.156 1.00 94.22 C
832
+ ATOM 832 CA VAL A 107 11.549 27.693 1.814 1.00 94.32 C
833
+ ATOM 833 CB VAL A 107 12.706 28.678 1.532 1.00 93.54 C
834
+ ATOM 834 CG1 VAL A 107 14.054 27.962 1.604 1.00 89.71 C
835
+ ATOM 835 CG2 VAL A 107 12.521 29.341 0.168 1.00 89.42 C
836
+ ATOM 836 N VAL A 107 10.256 28.370 1.813 1.00 94.18 N
837
+ ATOM 837 O VAL A 107 11.683 27.629 4.212 1.00 93.64 O
838
+ ATOM 838 C CYS A 108 13.783 24.767 4.510 1.00 93.73 C
839
+ ATOM 839 CA CYS A 108 12.279 24.919 4.316 1.00 94.01 C
840
+ ATOM 840 CB CYS A 108 11.623 23.540 4.242 1.00 93.14 C
841
+ ATOM 841 N CYS A 108 11.983 25.691 3.115 1.00 93.88 N
842
+ ATOM 842 O CYS A 108 14.528 24.637 3.538 1.00 92.96 O
843
+ ATOM 843 SG CYS A 108 9.828 23.596 4.053 1.00 91.52 S
844
+ ATOM 844 C GLU A 109 15.842 23.432 6.872 1.00 93.37 C
845
+ ATOM 845 CA GLU A 109 15.641 24.698 6.043 1.00 93.76 C
846
+ ATOM 846 CB GLU A 109 16.188 25.912 6.796 1.00 92.80 C
847
+ ATOM 847 CD GLU A 109 16.179 27.280 8.936 1.00 86.50 C
848
+ ATOM 848 CG GLU A 109 15.603 26.088 8.189 1.00 88.88 C
849
+ ATOM 849 N GLU A 109 14.232 24.892 5.711 1.00 93.88 N
850
+ ATOM 850 O GLU A 109 14.997 23.083 7.699 1.00 92.40 O
851
+ ATOM 851 OE1 GLU A 109 16.680 28.223 8.281 1.00 83.72 O
852
+ ATOM 852 OE2 GLU A 109 16.130 27.272 10.186 1.00 83.82 O
853
+ ATOM 853 C PHE A 110 18.744 21.626 7.840 1.00 90.52 C
854
+ ATOM 854 CA PHE A 110 17.330 21.534 7.281 1.00 92.19 C
855
+ ATOM 855 CB PHE A 110 17.233 20.377 6.282 1.00 91.32 C
856
+ ATOM 856 CD1 PHE A 110 14.858 19.575 6.070 1.00 87.57 C
857
+ ATOM 857 CD2 PHE A 110 15.740 20.987 4.354 1.00 87.69 C
858
+ ATOM 858 CE1 PHE A 110 13.640 19.512 5.398 1.00 88.19 C
859
+ ATOM 859 CE2 PHE A 110 14.526 20.929 3.677 1.00 88.81 C
860
+ ATOM 860 CG PHE A 110 15.917 20.311 5.554 1.00 90.07 C
861
+ ATOM 861 CZ PHE A 110 13.477 20.190 4.200 1.00 87.08 C
862
+ ATOM 862 N PHE A 110 16.938 22.789 6.652 1.00 92.09 N
863
+ ATOM 863 O PHE A 110 19.610 22.273 7.247 1.00 88.24 O
864
+ ATOM 864 C SER A 111 21.066 19.831 9.348 1.00 83.60 C
865
+ ATOM 865 CA SER A 111 20.261 21.065 9.740 1.00 84.78 C
866
+ ATOM 866 CB SER A 111 20.125 21.134 11.262 1.00 81.29 C
867
+ ATOM 867 N SER A 111 18.946 21.061 9.109 1.00 85.80 N
868
+ ATOM 868 O SER A 111 20.495 18.773 9.070 1.00 79.50 O
869
+ ATOM 869 OG SER A 111 19.479 22.332 11.656 1.00 72.09 O
870
+ TER 870 SER A 111
871
+ END
1rdi/1rdi_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w7h/1w7h_ligand.mol2 ADDED
@@ -0,0 +1,71 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1w7h_ligand
7
+ 27 28 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N1 20.8130 34.3980 31.5280 N.pl3 1 3IP -0.3248
14
+ 2 C2 21.6460 33.9140 30.5300 C.ar 1 3IP 0.1404
15
+ 3 N3 22.7270 34.6770 30.1470 N.ar 1 3IP -0.2969
16
+ 4 C4 23.6300 34.2940 29.1670 C.ar 1 3IP -0.0168
17
+ 5 C5 23.4700 33.0260 28.4780 C.ar 1 3IP -0.0579
18
+ 6 C6 22.3300 32.1760 28.8490 C.ar 1 3IP -0.0250
19
+ 7 C7 21.3830 32.6130 29.9010 C.ar 1 3IP 0.1400
20
+ 8 O8 20.2520 31.8830 30.3440 O.3 1 3IP -0.3030
21
+ 9 C9 19.5410 30.9110 29.4900 C.3 1 3IP 0.1033
22
+ 10 C10 18.1040 30.7710 30.0040 C.ar 1 3IP -0.0130
23
+ 11 C11 17.0350 31.6570 29.5080 C.ar 1 3IP -0.0578
24
+ 12 C12 15.6590 31.5480 30.0020 C.ar 1 3IP -0.0685
25
+ 13 C13 15.2930 30.5430 31.0160 C.ar 1 3IP -0.0687
26
+ 14 C14 16.3560 29.6350 31.5320 C.ar 1 3IP -0.0685
27
+ 15 C15 17.7490 29.7570 31.0210 C.ar 1 3IP -0.0578
28
+ 16 H1 19.9983 33.8458 31.8316 H 1 3IP 0.1735
29
+ 17 H2 21.0092 35.3096 31.9654 H 1 3IP 0.1735
30
+ 18 H3 24.4595 34.9444 28.9140 H 1 3IP 0.0677
31
+ 19 H4 24.1712 32.7152 27.7120 H 1 3IP 0.0566
32
+ 20 H5 22.1814 31.2249 28.3506 H 1 3IP 0.0611
33
+ 21 H6 20.0481 29.9360 29.5363 H 1 3IP 0.0776
34
+ 22 H7 19.5297 31.2695 28.4501 H 1 3IP 0.0776
35
+ 23 H8 17.2718 32.4060 28.7611 H 1 3IP 0.0557
36
+ 24 H9 14.8988 32.2171 29.6154 H 1 3IP 0.0599
37
+ 25 H10 14.2741 30.4661 31.3781 H 1 3IP 0.0559
38
+ 26 H11 16.1153 28.8867 32.2784 H 1 3IP 0.0599
39
+ 27 H12 18.5160 29.0916 31.4005 H 1 3IP 0.0557
40
+ @<TRIPOS>BOND
41
+ 1 1 2 1
42
+ 2 2 3 ar
43
+ 3 2 7 ar
44
+ 4 3 4 ar
45
+ 5 4 5 ar
46
+ 6 5 6 ar
47
+ 7 6 7 ar
48
+ 8 7 8 1
49
+ 9 8 9 1
50
+ 10 9 10 1
51
+ 11 10 11 ar
52
+ 12 10 15 ar
53
+ 13 11 12 ar
54
+ 14 12 13 ar
55
+ 15 13 14 ar
56
+ 16 14 15 ar
57
+ 17 1 16 1
58
+ 18 1 17 1
59
+ 19 4 18 1
60
+ 20 5 19 1
61
+ 21 6 20 1
62
+ 22 9 21 1
63
+ 23 9 22 1
64
+ 24 11 23 1
65
+ 25 12 24 1
66
+ 26 13 25 1
67
+ 27 14 26 1
68
+ 28 15 27 1
69
+ @<TRIPOS>SUBSTRUCTURE
70
+ 1 3IP 1
71
+
1w7h/1w7h_ligand.sdf ADDED
@@ -0,0 +1,61 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1w7h_ligand
2
+ -I-interpret-
3
+
4
+ 27 28 0 0 0 0 0 0 0 0999 V2000
5
+ 20.8130 34.3980 31.5280 N 0 0 0 0 0
6
+ 21.6460 33.9140 30.5300 C 0 0 0 0 0
7
+ 22.7270 34.6770 30.1470 N 0 0 0 0 0
8
+ 23.6300 34.2940 29.1670 C 0 0 0 0 0
9
+ 23.4700 33.0260 28.4780 C 0 0 0 0 0
10
+ 22.3300 32.1760 28.8490 C 0 0 0 0 0
11
+ 21.3830 32.6130 29.9010 C 0 0 0 0 0
12
+ 20.2520 31.8830 30.3440 O 0 0 0 0 0
13
+ 19.5410 30.9110 29.4900 C 0 0 0 0 0
14
+ 18.1040 30.7710 30.0040 C 0 0 0 0 0
15
+ 17.0350 31.6570 29.5080 C 0 0 0 0 0
16
+ 15.6590 31.5480 30.0020 C 0 0 0 0 0
17
+ 15.2930 30.5430 31.0160 C 0 0 0 0 0
18
+ 16.3560 29.6350 31.5320 C 0 0 0 0 0
19
+ 17.7490 29.7570 31.0210 C 0 0 0 0 0
20
+ 21.0073 35.3008 31.9612 H 0 0 0 0 0
21
+ 20.0062 33.8511 31.8287 H 0 0 0 0 0
22
+ 24.4641 34.9480 28.9126 H 0 0 0 0 0
23
+ 24.1751 32.7135 27.7078 H 0 0 0 0 0
24
+ 22.1806 31.2197 28.3478 H 0 0 0 0 0
25
+ 20.0449 29.9452 29.5269 H 0 0 0 0 0
26
+ 19.5342 31.2588 28.4570 H 0 0 0 0 0
27
+ 17.2732 32.4102 28.7569 H 0 0 0 0 0
28
+ 14.8946 32.2208 29.6132 H 0 0 0 0 0
29
+ 14.2685 30.4657 31.3801 H 0 0 0 0 0
30
+ 16.1140 28.8825 32.2825 H 0 0 0 0 0
31
+ 18.5203 29.0880 31.4026 H 0 0 0 0 0
32
+ 1 2 1 0 0 0
33
+ 2 3 4 0 0 0
34
+ 2 7 4 0 0 0
35
+ 3 4 4 0 0 0
36
+ 4 5 4 0 0 0
37
+ 5 6 4 0 0 0
38
+ 6 7 4 0 0 0
39
+ 7 8 1 0 0 0
40
+ 8 9 1 0 0 0
41
+ 9 10 1 0 0 0
42
+ 10 11 4 0 0 0
43
+ 10 15 4 0 0 0
44
+ 11 12 4 0 0 0
45
+ 12 13 4 0 0 0
46
+ 13 14 4 0 0 0
47
+ 14 15 4 0 0 0
48
+ 1 16 1 0 0 0
49
+ 1 17 1 0 0 0
50
+ 4 18 1 0 0 0
51
+ 5 19 1 0 0 0
52
+ 6 20 1 0 0 0
53
+ 9 21 1 0 0 0
54
+ 9 22 1 0 0 0
55
+ 11 23 1 0 0 0
56
+ 12 24 1 0 0 0
57
+ 13 25 1 0 0 0
58
+ 14 26 1 0 0 0
59
+ 15 27 1 0 0 0
60
+ M END
61
+ $$$$
1w7h/1w7h_protein_esmfold_aligned_tr_fix.pdb ADDED
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1w7h/1w7h_protein_processed_fix.pdb ADDED
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1zsh/1zsh_protein_esmfold_aligned_tr_fix.pdb ADDED
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1zsh/1zsh_protein_processed_fix.pdb ADDED
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2f18/2f18_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ $$$$