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THU-ATOM
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PDBbind

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1 Parent(s): a386882

Add batch 68

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  1. 1c5x/1c5x_ligand.mol2 +59 -0
  2. 1c5x/1c5x_ligand.sdf +47 -0
  3. 1c5x/1c5x_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1c5x/1c5x_protein_processed_fix.pdb +0 -0
  5. 1i1e/1i1e_ligand.mol2 +162 -0
  6. 1i1e/1i1e_ligand.sdf +152 -0
  7. 1i1e/1i1e_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1i1e/1i1e_protein_processed_fix.pdb +0 -0
  9. 1j1a/1j1a_ligand.mol2 +162 -0
  10. 1j1a/1j1a_ligand.sdf +154 -0
  11. 1j1a/1j1a_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1j1a/1j1a_protein_processed_fix.pdb +0 -0
  13. 1lhd/1lhd_ligand.mol2 +147 -0
  14. 1lhd/1lhd_ligand.sdf +137 -0
  15. 1lhd/1lhd_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1lhd/1lhd_protein_processed_fix.pdb +0 -0
  17. 1ok7/1ok7_ligand.mol2 +263 -0
  18. 1ok7/1ok7_ligand.sdf +253 -0
  19. 1ok7/1ok7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1ok7/1ok7_protein_processed_fix.pdb +0 -0
  21. 1oxq/1oxq_ligand.mol2 +140 -0
  22. 1oxq/1oxq_ligand.sdf +132 -0
  23. 1oxq/1oxq_protein_esmfold_aligned_tr_fix.pdb +760 -0
  24. 1oxq/1oxq_protein_processed_fix.pdb +0 -0
  25. 1pxi/1pxi_ligand.mol2 +55 -0
  26. 1pxi/1pxi_ligand.sdf +45 -0
  27. 1pxi/1pxi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1pxi/1pxi_protein_processed_fix.pdb +0 -0
  29. 1svh/1svh_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1svh/1svh_protein_processed_fix.pdb +0 -0
  31. 1w7x/1w7x_ligand.mol2 +159 -0
  32. 1w7x/1w7x_ligand.sdf +149 -0
  33. 1w7x/1w7x_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1w7x/1w7x_protein_processed_fix.pdb +0 -0
  35. 1xh7/1xh7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1xh7/1xh7_protein_processed_fix.pdb +0 -0
  37. 2gg8/2gg8_ligand.mol2 +136 -0
  38. 2gg8/2gg8_ligand.sdf +126 -0
  39. 2gg8/2gg8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2gg8/2gg8_protein_processed_fix.pdb +0 -0
  41. 2kpl/2kpl_ligand.mol2 +409 -0
  42. 2kpl/2kpl_ligand.sdf +395 -0
  43. 2kpl/2kpl_protein_esmfold_aligned_tr_fix.pdb +978 -0
  44. 2kpl/2kpl_protein_processed_fix.pdb +0 -0
  45. 2oj9/2oj9_ligand.mol2 +118 -0
  46. 2oj9/2oj9_ligand.sdf +106 -0
  47. 2oj9/2oj9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2oj9/2oj9_protein_processed_fix.pdb +0 -0
  49. 2os9/2os9_ligand.mol2 +64 -0
  50. 2os9/2os9_ligand.sdf +54 -0
1c5x/1c5x_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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1c5x/1c5x_ligand.sdf ADDED
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+ $$$$
1c5x/1c5x_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1c5x/1c5x_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1i1e/1i1e_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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1i1e/1i1e_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1i1e/1i1e_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1j1a/1j1a_ligand.mol2 ADDED
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+ ###
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+ ###
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The diff for this file is too large to render. See raw diff
 
1lhd/1lhd_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ $$$$
1ok7/1ok7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ok7/1ok7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oxq/1oxq_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1oxq_ligand
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+ 62 62 1 0 0
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+ SMALL
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+ 1 N 22.2690 48.5480 -7.6420 N.4 1 ALA 0.2377
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+ 2 CA 22.6620 48.1820 -6.2580 C.3 1 ALA 0.0621
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+ 3 C 21.9960 46.8720 -5.8630 C.2 1 ALA 0.2264
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+ 4 O 20.9800 46.4800 -6.4400 O.2 1 ALA -0.3907
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+ 5 CB 22.2940 49.2960 -5.2770 C.3 1 ALA -0.0040
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+ 6 N 22.5740 46.2140 -4.8660 N.am 1 VAL -0.2608
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+ 7 CA 22.1160 44.9170 -4.4070 C.3 1 VAL 0.1336
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+ 8 C 22.2050 44.9340 -2.8710 C.2 1 VAL 0.2067
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+ 9 O 23.0470 45.6550 -2.3290 O.2 1 VAL -0.3942
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+ 10 CB 22.9730 43.7940 -5.1050 C.3 1 VAL -0.0062
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+ 11 CG1 22.7520 43.7160 -6.6300 C.3 1 VAL -0.0584
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+ 12 CG2 24.4340 43.8910 -4.7180 C.3 1 VAL -0.0584
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+ 13 N 21.3290 44.2180 -2.1560 N.am 1 PRO -0.2498
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+ 14 CA 21.4480 44.1390 -0.6910 C.3 1 PRO 0.1337
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+ 35 H7 22.8159 50.2218 -5.5608 H 1 ALA 0.0310
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+ 36 H8 23.3606 46.6313 -4.4109 H 1 VAL 0.1885
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+ 37 H9 21.0642 44.7722 -4.6945 H 1 VAL 0.0803
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+ 38 H10 22.6116 42.8371 -4.7004 H 1 VAL 0.0343
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+ 61 H33 26.3408 46.6442 3.7747 H 1 ILE 0.0230
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+ ATOM 1 C GLY A 1 12.989 55.466 13.735 1.00 81.64 C
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+ ATOM 2 CA GLY A 1 11.687 55.874 14.396 1.00 78.95 C
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+ ATOM 3 N GLY A 1 10.670 54.834 14.348 1.00 73.28 N
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+ ATOM 4 O GLY A 1 13.144 54.319 13.313 1.00 76.94 O
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+ ATOM 5 C PRO A 2 15.880 55.155 13.388 1.00 88.26 C
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+ ATOM 7 CB PRO A 2 15.768 57.557 12.636 1.00 84.10 C
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+ ATOM 8 CD PRO A 2 13.805 57.834 14.046 1.00 77.91 C
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+ ATOM 9 CG PRO A 2 15.191 58.342 13.769 1.00 79.25 C
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+ ATOM 10 N PRO A 2 13.799 56.525 13.399 1.00 85.10 N
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+ ATOM 11 O PRO A 2 16.082 55.234 14.602 1.00 86.56 O
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+ ATOM 12 C ALA A 3 18.567 53.598 13.712 1.00 91.45 C
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+ ATOM 14 CB ALA A 3 17.401 51.943 12.237 1.00 90.56 C
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+ ATOM 19 CB PHE A 4 21.353 54.858 12.291 1.00 91.58 C
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+ ATOM 20 CD1 PHE A 4 23.283 53.940 13.618 1.00 82.37 C
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+ ATOM 21 CD2 PHE A 4 23.590 55.995 12.435 1.00 82.72 C
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+ ATOM 22 CE1 PHE A 4 24.594 54.006 14.083 1.00 82.71 C
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+ ATOM 24 CG PHE A 4 22.769 54.932 12.792 1.00 87.57 C
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+ ATOM 26 N PHE A 4 19.035 54.550 13.050 1.00 92.44 N
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+ ATOM 28 C PRO A 5 20.459 59.596 14.476 1.00 90.77 C
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+ ATOM 29 CA PRO A 5 19.292 58.630 14.671 1.00 92.11 C
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+ ATOM 30 CB PRO A 5 18.737 58.725 16.094 1.00 88.39 C
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+ ATOM 31 CD PRO A 5 19.262 56.384 15.689 1.00 80.71 C
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+ ATOM 32 CG PRO A 5 18.373 57.321 16.456 1.00 82.14 C
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+ ATOM 33 N PRO A 5 19.694 57.226 14.558 1.00 91.06 N
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+ ATOM 34 O PRO A 5 20.251 60.755 14.110 1.00 88.80 O
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+ ATOM 35 C GLY A 6 23.050 60.385 13.121 1.00 93.48 C
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+ ATOM 36 CA GLY A 6 22.829 59.973 14.564 1.00 93.40 C
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+ ATOM 37 N GLY A 6 21.665 59.121 14.744 1.00 93.28 N
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+ ATOM 38 O GLY A 6 23.848 61.282 12.841 1.00 92.24 O
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+ ATOM 39 C MET A 7 21.181 60.719 10.209 1.00 94.78 C
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+ ATOM 40 CA MET A 7 22.471 60.112 10.749 1.00 95.23 C
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+ ATOM 41 CB MET A 7 22.822 58.846 9.966 1.00 94.14 C
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+ ATOM 42 CE MET A 7 27.013 58.710 10.195 1.00 83.69 C
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+ ATOM 43 CG MET A 7 24.238 58.349 10.206 1.00 90.73 C
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+ ATOM 44 N MET A 7 22.351 59.818 12.174 1.00 94.85 N
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+ ATOM 45 O MET A 7 20.888 60.605 9.016 1.00 93.05 O
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+ ATOM 46 SD MET A 7 25.508 59.520 9.587 1.00 89.56 S
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+ ATOM 47 C GLY A 8 19.211 63.165 9.854 1.00 92.82 C
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+ ATOM 48 CA GLY A 8 19.070 61.925 10.715 1.00 93.44 C
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+ ATOM 49 N GLY A 8 20.348 61.340 11.091 1.00 93.55 N
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+ ATOM 50 O GLY A 8 18.310 63.497 9.080 1.00 91.11 O
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+ ATOM 51 C SER A 9 21.221 64.652 7.762 1.00 95.60 C
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+ ATOM 52 CA SER A 9 20.572 65.039 9.087 1.00 95.20 C
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+ ATOM 53 CB SER A 9 21.473 66.021 9.837 1.00 93.82 C
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+ ATOM 54 N SER A 9 20.303 63.863 9.908 1.00 95.15 N
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+ ATOM 55 O SER A 9 22.134 63.824 7.730 1.00 95.28 O
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+ ATOM 56 OG SER A 9 22.115 66.905 8.934 1.00 76.08 O
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+ ATOM 57 C GLU A 10 22.717 65.416 5.367 1.00 96.34 C
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+ ATOM 58 CA GLU A 10 21.252 64.990 5.405 1.00 96.30 C
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+ ATOM 59 CB GLU A 10 20.466 65.711 4.306 1.00 95.15 C
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+ ATOM 60 CD GLU A 10 20.090 66.036 1.815 1.00 86.99 C
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+ ATOM 61 CG GLU A 10 20.913 65.353 2.896 1.00 89.16 C
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+ ATOM 62 N GLU A 10 20.660 65.252 6.714 1.00 96.02 N
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+ ATOM 63 O GLU A 10 23.544 64.758 4.731 1.00 96.03 O
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+ ATOM 64 OE1 GLU A 10 18.842 65.940 1.851 1.00 85.91 O
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+ ATOM 65 OE2 GLU A 10 20.699 66.671 0.925 1.00 87.20 O
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+ ATOM 66 C GLU A 11 25.333 65.950 6.773 1.00 96.61 C
67
+ ATOM 67 CA GLU A 11 24.414 66.974 6.114 1.00 96.54 C
68
+ ATOM 68 CB GLU A 11 24.478 68.303 6.873 1.00 95.08 C
69
+ ATOM 69 CD GLU A 11 25.913 70.248 7.653 1.00 71.33 C
70
+ ATOM 70 CG GLU A 11 25.865 68.930 6.899 1.00 78.83 C
71
+ ATOM 71 N GLU A 11 23.040 66.487 6.049 1.00 96.56 N
72
+ ATOM 72 O GLU A 11 26.457 65.731 6.315 1.00 96.20 O
73
+ ATOM 73 OE1 GLU A 11 24.890 70.635 8.263 1.00 70.06 O
74
+ ATOM 74 OE2 GLU A 11 26.982 70.899 7.635 1.00 66.39 O
75
+ ATOM 75 C LEU A 12 25.842 63.109 7.656 1.00 96.33 C
76
+ ATOM 76 CA LEU A 12 25.671 64.341 8.538 1.00 96.16 C
77
+ ATOM 77 CB LEU A 12 25.010 63.949 9.861 1.00 95.45 C
78
+ ATOM 78 CD1 LEU A 12 24.205 64.534 12.162 1.00 85.59 C
79
+ ATOM 79 CD2 LEU A 12 26.466 65.303 11.392 1.00 85.19 C
80
+ ATOM 80 CG LEU A 12 25.032 65.003 10.969 1.00 91.38 C
81
+ ATOM 81 N LEU A 12 24.884 65.364 7.856 1.00 96.06 N
82
+ ATOM 82 O LEU A 12 26.918 62.508 7.622 1.00 96.10 O
83
+ ATOM 83 C ARG A 13 25.836 61.928 4.911 1.00 97.04 C
84
+ ATOM 84 CA ARG A 13 24.837 61.635 6.025 1.00 97.07 C
85
+ ATOM 85 CB ARG A 13 23.476 61.270 5.427 1.00 96.85 C
86
+ ATOM 86 CD ARG A 13 21.374 59.922 5.749 1.00 95.14 C
87
+ ATOM 87 CG ARG A 13 22.497 60.689 6.434 1.00 96.08 C
88
+ ATOM 88 CZ ARG A 13 19.517 61.507 5.353 1.00 92.16 C
89
+ ATOM 89 N ARG A 13 24.712 62.773 6.929 1.00 96.97 N
90
+ ATOM 90 NE ARG A 13 20.554 60.797 4.916 1.00 94.29 N
91
+ ATOM 91 NH1 ARG A 13 19.152 61.458 6.630 1.00 89.92 N
92
+ ATOM 92 NH2 ARG A 13 18.840 62.270 4.509 1.00 89.18 N
93
+ ATOM 93 O ARG A 13 26.675 61.085 4.584 1.00 96.78 O
94
+ ATOM 94 C LEU A 14 28.181 63.491 3.840 1.00 96.70 C
95
+ ATOM 95 CA LEU A 14 26.746 63.531 3.327 1.00 96.86 C
96
+ ATOM 96 CB LEU A 14 26.421 64.930 2.795 1.00 95.63 C
97
+ ATOM 97 CD1 LEU A 14 27.031 64.446 0.412 1.00 70.47 C
98
+ ATOM 98 CD2 LEU A 14 26.837 66.821 1.198 1.00 69.70 C
99
+ ATOM 99 CG LEU A 14 27.230 65.400 1.585 1.00 82.82 C
100
+ ATOM 100 N LEU A 14 25.807 63.154 4.378 1.00 97.07 N
101
+ ATOM 101 O LEU A 14 29.084 63.035 3.135 1.00 96.05 O
102
+ ATOM 102 C ALA A 15 30.270 62.592 5.765 1.00 96.08 C
103
+ ATOM 103 CA ALA A 15 29.701 64.002 5.629 1.00 96.15 C
104
+ ATOM 104 CB ALA A 15 29.659 64.688 6.993 1.00 95.51 C
105
+ ATOM 105 N ALA A 15 28.369 63.976 5.030 1.00 96.20 N
106
+ ATOM 106 O ALA A 15 31.488 62.402 5.737 1.00 95.55 O
107
+ ATOM 107 C SER A 16 30.559 59.646 4.778 1.00 95.53 C
108
+ ATOM 108 CA SER A 16 29.883 60.150 6.048 1.00 95.80 C
109
+ ATOM 109 CB SER A 16 28.720 59.228 6.419 1.00 95.58 C
110
+ ATOM 110 N SER A 16 29.416 61.524 5.890 1.00 95.76 N
111
+ ATOM 111 O SER A 16 31.253 58.627 4.801 1.00 94.80 O
112
+ ATOM 112 OG SER A 16 27.906 58.969 5.288 1.00 94.99 O
113
+ ATOM 113 C PHE A 17 32.294 60.490 2.146 1.00 94.70 C
114
+ ATOM 114 CA PHE A 17 30.907 59.909 2.391 1.00 95.72 C
115
+ ATOM 115 CB PHE A 17 29.961 60.313 1.256 1.00 95.65 C
116
+ ATOM 116 CD1 PHE A 17 28.677 58.290 0.486 1.00 95.36 C
117
+ ATOM 117 CD2 PHE A 17 27.548 59.911 1.834 1.00 95.04 C
118
+ ATOM 118 CE1 PHE A 17 27.515 57.525 0.424 1.00 94.53 C
119
+ ATOM 119 CE2 PHE A 17 26.382 59.151 1.776 1.00 94.50 C
120
+ ATOM 120 CG PHE A 17 28.704 59.488 1.190 1.00 95.96 C
121
+ ATOM 121 CZ PHE A 17 26.368 57.960 1.071 1.00 94.28 C
122
+ ATOM 122 N PHE A 17 30.380 60.348 3.677 1.00 95.60 N
123
+ ATOM 123 O PHE A 17 32.734 60.599 1.000 1.00 92.46 O
124
+ ATOM 124 C TYR A 18 35.323 60.615 2.382 1.00 94.00 C
125
+ ATOM 125 CA TYR A 18 34.336 61.567 3.046 1.00 94.81 C
126
+ ATOM 126 CB TYR A 18 34.875 62.011 4.409 1.00 93.30 C
127
+ ATOM 127 CD1 TYR A 18 34.319 60.279 6.161 1.00 80.49 C
128
+ ATOM 128 CD2 TYR A 18 36.555 60.366 5.325 1.00 81.21 C
129
+ ATOM 129 CE1 TYR A 18 34.666 59.223 6.997 1.00 77.82 C
130
+ ATOM 130 CE2 TYR A 18 36.914 59.312 6.157 1.00 76.73 C
131
+ ATOM 131 CG TYR A 18 35.257 60.865 5.314 1.00 87.34 C
132
+ ATOM 132 CZ TYR A 18 35.964 58.747 6.988 1.00 78.08 C
133
+ ATOM 133 N TYR A 18 33.026 60.943 3.192 1.00 94.74 N
134
+ ATOM 134 O TYR A 18 36.267 61.052 1.719 1.00 92.13 O
135
+ ATOM 135 OH TYR A 18 36.314 57.703 7.815 1.00 46.90 O
136
+ ATOM 136 C ASP A 19 35.316 57.462 0.873 1.00 93.28 C
137
+ ATOM 137 CA ASP A 19 36.053 58.335 1.887 1.00 93.16 C
138
+ ATOM 138 CB ASP A 19 36.711 57.459 2.955 1.00 89.93 C
139
+ ATOM 139 CG ASP A 19 35.706 56.652 3.761 1.00 79.58 C
140
+ ATOM 140 N ASP A 19 35.150 59.303 2.502 1.00 93.53 N
141
+ ATOM 141 O ASP A 19 35.659 56.293 0.687 1.00 91.62 O
142
+ ATOM 142 OD1 ASP A 19 34.490 56.920 3.662 1.00 71.83 O
143
+ ATOM 143 OD2 ASP A 19 36.137 55.742 4.502 1.00 74.98 O
144
+ ATOM 144 C TRP A 20 34.476 56.945 -1.949 1.00 91.84 C
145
+ ATOM 145 CA TRP A 20 33.554 57.317 -0.793 1.00 93.92 C
146
+ ATOM 146 CB TRP A 20 32.411 58.201 -1.299 1.00 92.47 C
147
+ ATOM 147 CD1 TRP A 20 31.221 57.961 -3.560 1.00 83.72 C
148
+ ATOM 148 CD2 TRP A 20 30.803 56.303 -2.116 1.00 85.16 C
149
+ ATOM 149 CE2 TRP A 20 30.092 56.051 -3.311 1.00 88.69 C
150
+ ATOM 150 CE3 TRP A 20 30.695 55.390 -1.058 1.00 80.26 C
151
+ ATOM 151 CG TRP A 20 31.518 57.528 -2.299 1.00 89.27 C
152
+ ATOM 152 CH2 TRP A 20 29.195 54.048 -2.424 1.00 82.03 C
153
+ ATOM 153 CZ2 TRP A 20 29.283 54.925 -3.475 1.00 82.03 C
154
+ ATOM 154 CZ3 TRP A 20 29.889 54.269 -1.224 1.00 81.50 C
155
+ ATOM 155 N TRP A 20 34.295 57.994 0.267 1.00 92.51 N
156
+ ATOM 156 NE1 TRP A 20 30.363 57.078 -4.174 1.00 81.22 N
157
+ ATOM 157 O TRP A 20 35.253 57.776 -2.425 1.00 88.78 O
158
+ ATOM 158 C PRO A 21 35.143 56.256 -4.698 1.00 90.99 C
159
+ ATOM 159 CA PRO A 21 35.302 55.362 -3.470 1.00 91.63 C
160
+ ATOM 160 CB PRO A 21 34.900 53.920 -3.788 1.00 90.57 C
161
+ ATOM 161 CD PRO A 21 33.526 54.566 -1.889 1.00 89.23 C
162
+ ATOM 162 CG PRO A 21 34.245 53.421 -2.542 1.00 89.77 C
163
+ ATOM 163 N PRO A 21 34.394 55.731 -2.381 1.00 91.39 N
164
+ ATOM 164 O PRO A 21 34.020 56.593 -5.080 1.00 89.63 O
165
+ ATOM 165 C LEU A 22 35.683 56.647 -7.658 1.00 84.59 C
166
+ ATOM 166 CA LEU A 22 36.296 57.391 -6.476 1.00 86.09 C
167
+ ATOM 167 CB LEU A 22 37.717 57.843 -6.825 1.00 82.20 C
168
+ ATOM 168 CD1 LEU A 22 39.816 59.097 -6.273 1.00 68.38 C
169
+ ATOM 169 CD2 LEU A 22 37.582 60.074 -5.680 1.00 70.64 C
170
+ ATOM 170 CG LEU A 22 38.390 58.789 -5.829 1.00 74.23 C
171
+ ATOM 171 N LEU A 22 36.305 56.552 -5.283 1.00 86.53 N
172
+ ATOM 172 O LEU A 22 35.200 57.271 -8.606 1.00 81.13 O
173
+ ATOM 173 C THR A 23 33.670 54.456 -8.590 1.00 84.85 C
174
+ ATOM 174 CA THR A 23 35.189 54.587 -8.664 1.00 85.99 C
175
+ ATOM 175 CB THR A 23 35.827 53.186 -8.665 1.00 83.04 C
176
+ ATOM 176 CG2 THR A 23 37.340 53.272 -8.838 1.00 73.67 C
177
+ ATOM 177 N THR A 23 35.691 55.398 -7.560 1.00 86.45 N
178
+ ATOM 178 O THR A 23 33.041 53.931 -9.511 1.00 81.30 O
179
+ ATOM 179 OG1 THR A 23 35.537 52.534 -7.422 1.00 77.32 O
180
+ ATOM 180 C ALA A 24 31.008 55.771 -8.256 1.00 86.59 C
181
+ ATOM 181 CA ALA A 24 31.706 54.756 -7.355 1.00 86.98 C
182
+ ATOM 182 CB ALA A 24 31.281 54.958 -5.902 1.00 84.50 C
183
+ ATOM 183 N ALA A 24 33.158 54.855 -7.478 1.00 86.66 N
184
+ ATOM 184 O ALA A 24 31.379 56.946 -8.280 1.00 83.56 O
185
+ ATOM 185 C GLU A 25 28.229 56.933 -9.551 1.00 87.19 C
186
+ ATOM 186 CA GLU A 25 29.458 56.178 -10.049 1.00 86.50 C
187
+ ATOM 187 CB GLU A 25 29.086 55.299 -11.246 1.00 82.41 C
188
+ ATOM 188 CD GLU A 25 29.965 54.231 -13.377 1.00 72.21 C
189
+ ATOM 189 CG GLU A 25 30.286 54.702 -11.968 1.00 74.63 C
190
+ ATOM 190 N GLU A 25 30.050 55.372 -8.987 1.00 86.58 N
191
+ ATOM 191 O GLU A 25 27.744 57.849 -10.218 1.00 84.52 O
192
+ ATOM 192 OE1 GLU A 25 28.768 54.170 -13.739 1.00 70.51 O
193
+ ATOM 193 OE2 GLU A 25 30.918 53.921 -14.126 1.00 68.41 O
194
+ ATOM 194 C VAL A 26 27.126 58.432 -6.889 1.00 94.16 C
195
+ ATOM 195 CA VAL A 26 26.596 57.383 -7.864 1.00 93.89 C
196
+ ATOM 196 CB VAL A 26 25.592 56.450 -7.151 1.00 92.80 C
197
+ ATOM 197 CG1 VAL A 26 24.447 57.254 -6.539 1.00 90.66 C
198
+ ATOM 198 CG2 VAL A 26 25.054 55.402 -8.123 1.00 90.49 C
199
+ ATOM 199 N VAL A 26 27.710 56.634 -8.437 1.00 93.31 N
200
+ ATOM 200 O VAL A 26 27.845 58.103 -5.944 1.00 93.58 O
201
+ ATOM 201 C PRO A 27 26.750 60.606 -4.884 1.00 94.92 C
202
+ ATOM 202 CA PRO A 27 27.309 60.689 -6.302 1.00 93.92 C
203
+ ATOM 203 CB PRO A 27 26.852 61.974 -6.995 1.00 92.43 C
204
+ ATOM 204 CD PRO A 27 26.140 60.110 -8.385 1.00 86.62 C
205
+ ATOM 205 CG PRO A 27 26.529 61.561 -8.394 1.00 87.22 C
206
+ ATOM 206 N PRO A 27 26.795 59.632 -7.176 1.00 93.58 N
207
+ ATOM 207 O PRO A 27 25.583 60.252 -4.696 1.00 94.93 O
208
+ ATOM 208 C PRO A 28 25.933 61.778 -2.198 1.00 95.85 C
209
+ ATOM 209 CA PRO A 28 27.182 60.946 -2.478 1.00 95.68 C
210
+ ATOM 210 CB PRO A 28 28.399 61.530 -1.755 1.00 94.93 C
211
+ ATOM 211 CD PRO A 28 29.164 61.112 -4.026 1.00 90.53 C
212
+ ATOM 212 CG PRO A 28 29.573 61.109 -2.581 1.00 92.18 C
213
+ ATOM 213 N PRO A 28 27.580 60.976 -3.887 1.00 95.37 N
214
+ ATOM 214 O PRO A 28 25.121 61.413 -1.345 1.00 95.60 O
215
+ ATOM 215 C GLU A 29 23.258 63.046 -2.935 1.00 96.62 C
216
+ ATOM 216 CA GLU A 29 24.570 63.780 -2.674 1.00 96.40 C
217
+ ATOM 217 CB GLU A 29 24.664 65.022 -3.564 1.00 95.12 C
218
+ ATOM 218 CD GLU A 29 27.150 65.506 -3.769 1.00 75.60 C
219
+ ATOM 219 CG GLU A 29 25.812 65.953 -3.201 1.00 82.37 C
220
+ ATOM 220 N GLU A 29 25.718 62.905 -2.892 1.00 96.39 N
221
+ ATOM 221 O GLU A 29 22.274 63.251 -2.222 1.00 96.36 O
222
+ ATOM 222 OE1 GLU A 29 27.186 64.507 -4.523 1.00 73.45 O
223
+ ATOM 223 OE2 GLU A 29 28.171 66.161 -3.458 1.00 70.38 O
224
+ ATOM 224 C LEU A 30 21.772 60.428 -3.214 1.00 97.03 C
225
+ ATOM 225 CA LEU A 30 22.052 61.500 -4.263 1.00 96.70 C
226
+ ATOM 226 CB LEU A 30 22.179 60.858 -5.646 1.00 96.14 C
227
+ ATOM 227 CD1 LEU A 30 22.418 61.036 -8.136 1.00 86.51 C
228
+ ATOM 228 CD2 LEU A 30 21.135 62.784 -6.872 1.00 86.15 C
229
+ ATOM 229 CG LEU A 30 22.314 61.817 -6.830 1.00 92.46 C
230
+ ATOM 230 N LEU A 30 23.262 62.246 -3.933 1.00 96.62 N
231
+ ATOM 231 O LEU A 30 20.619 60.210 -2.836 1.00 96.91 O
232
+ ATOM 232 C LEU A 31 22.252 59.323 -0.411 1.00 97.29 C
233
+ ATOM 233 CA LEU A 31 22.700 58.737 -1.746 1.00 97.16 C
234
+ ATOM 234 CB LEU A 31 24.019 57.982 -1.569 1.00 96.98 C
235
+ ATOM 235 CD1 LEU A 31 25.928 56.760 -2.641 1.00 94.56 C
236
+ ATOM 236 CD2 LEU A 31 23.619 55.778 -2.700 1.00 94.35 C
237
+ ATOM 237 CG LEU A 31 24.436 57.065 -2.720 1.00 96.14 C
238
+ ATOM 238 N LEU A 31 22.841 59.784 -2.751 1.00 97.09 N
239
+ ATOM 239 O LEU A 31 21.334 58.799 0.226 1.00 97.18 O
240
+ ATOM 240 C ALA A 32 21.027 61.583 1.213 1.00 97.36 C
241
+ ATOM 241 CA ALA A 32 22.473 61.095 1.242 1.00 97.28 C
242
+ ATOM 242 CB ALA A 32 23.418 62.258 1.535 1.00 97.00 C
243
+ ATOM 243 N ALA A 32 22.835 60.451 -0.018 1.00 97.30 N
244
+ ATOM 244 O ALA A 32 20.314 61.489 2.214 1.00 97.18 O
245
+ ATOM 245 C ALA A 33 18.177 61.418 0.034 1.00 97.14 C
246
+ ATOM 246 CA ALA A 33 19.169 62.571 -0.103 1.00 97.10 C
247
+ ATOM 247 CB ALA A 33 18.988 63.267 -1.449 1.00 96.60 C
248
+ ATOM 248 N ALA A 33 20.544 62.102 0.046 1.00 97.20 N
249
+ ATOM 249 O ALA A 33 17.070 61.601 0.545 1.00 96.83 O
250
+ ATOM 250 C ALA A 34 17.774 58.381 1.036 1.00 97.35 C
251
+ ATOM 251 CA ALA A 34 17.731 59.061 -0.329 1.00 97.34 C
252
+ ATOM 252 CB ALA A 34 18.115 58.071 -1.426 1.00 97.08 C
253
+ ATOM 253 N ALA A 34 18.612 60.226 -0.363 1.00 97.44 N
254
+ ATOM 254 O ALA A 34 17.181 57.316 1.224 1.00 96.89 O
255
+ ATOM 255 C GLY A 35 19.689 57.671 3.744 1.00 97.11 C
256
+ ATOM 256 CA GLY A 35 18.492 58.538 3.403 1.00 97.01 C
257
+ ATOM 257 N GLY A 35 18.502 59.011 2.028 1.00 97.00 N
258
+ ATOM 258 O GLY A 35 19.776 57.130 4.848 1.00 96.73 O
259
+ ATOM 259 C PHE A 36 23.050 57.334 3.612 1.00 97.18 C
260
+ ATOM 260 CA PHE A 36 21.824 56.621 3.057 1.00 97.25 C
261
+ ATOM 261 CB PHE A 36 22.178 55.917 1.742 1.00 97.18 C
262
+ ATOM 262 CD1 PHE A 36 20.837 53.790 1.830 1.00 96.14 C
263
+ ATOM 263 CD2 PHE A 36 20.318 55.392 0.134 1.00 95.92 C
264
+ ATOM 264 CE1 PHE A 36 19.831 52.952 1.355 1.00 95.29 C
265
+ ATOM 265 CE2 PHE A 36 19.310 54.561 -0.347 1.00 95.20 C
266
+ ATOM 266 CG PHE A 36 21.089 55.015 1.225 1.00 96.81 C
267
+ ATOM 267 CZ PHE A 36 19.069 53.341 0.264 1.00 94.69 C
268
+ ATOM 268 N PHE A 36 20.725 57.558 2.857 1.00 97.25 N
269
+ ATOM 269 O PHE A 36 23.338 58.472 3.233 1.00 96.89 O
270
+ ATOM 270 C PHE A 37 26.088 55.972 4.581 1.00 96.80 C
271
+ ATOM 271 CA PHE A 37 25.098 57.083 4.910 1.00 96.93 C
272
+ ATOM 272 CB PHE A 37 25.133 57.391 6.410 1.00 96.80 C
273
+ ATOM 273 CD1 PHE A 37 23.626 55.783 7.623 1.00 95.46 C
274
+ ATOM 274 CD2 PHE A 37 25.991 55.456 7.765 1.00 95.17 C
275
+ ATOM 275 CE1 PHE A 37 23.418 54.668 8.432 1.00 94.21 C
276
+ ATOM 276 CE2 PHE A 37 25.791 54.340 8.574 1.00 94.18 C
277
+ ATOM 277 CG PHE A 37 24.913 56.186 7.283 1.00 96.34 C
278
+ ATOM 278 CZ PHE A 37 24.504 53.948 8.907 1.00 93.63 C
279
+ ATOM 279 N PHE A 37 23.750 56.713 4.495 1.00 96.99 N
280
+ ATOM 280 O PHE A 37 25.701 54.811 4.431 1.00 96.36 O
281
+ ATOM 281 C HIS A 38 28.804 54.692 5.307 1.00 95.98 C
282
+ ATOM 282 CA HIS A 38 28.337 55.439 4.062 1.00 96.35 C
283
+ ATOM 283 CB HIS A 38 29.510 56.196 3.433 1.00 95.55 C
284
+ ATOM 284 CD2 HIS A 38 30.618 54.089 2.404 1.00 77.72 C
285
+ ATOM 285 CE1 HIS A 38 32.714 54.676 2.673 1.00 82.12 C
286
+ ATOM 286 CG HIS A 38 30.630 55.307 2.993 1.00 89.76 C
287
+ ATOM 287 N HIS A 38 27.247 56.357 4.375 1.00 96.39 N
288
+ ATOM 288 ND1 HIS A 38 31.955 55.649 3.150 1.00 75.80 N
289
+ ATOM 289 NE2 HIS A 38 31.927 53.717 2.215 1.00 85.14 N
290
+ ATOM 290 O HIS A 38 29.034 55.303 6.352 1.00 95.11 O
291
+ ATOM 291 C THR A 39 30.941 52.610 6.580 1.00 94.54 C
292
+ ATOM 292 CA THR A 39 29.428 52.584 6.381 1.00 95.40 C
293
+ ATOM 293 CB THR A 39 28.956 51.128 6.219 1.00 94.89 C
294
+ ATOM 294 CG2 THR A 39 27.446 51.059 6.009 1.00 91.95 C
295
+ ATOM 295 N THR A 39 29.044 53.396 5.232 1.00 95.78 N
296
+ ATOM 296 O THR A 39 31.447 52.125 7.594 1.00 92.91 O
297
+ ATOM 297 OG1 THR A 39 29.610 50.542 5.086 1.00 92.74 O
298
+ ATOM 298 C GLY A 40 33.682 51.860 4.992 1.00 92.47 C
299
+ ATOM 299 CA GLY A 40 33.081 53.047 5.721 1.00 93.22 C
300
+ ATOM 300 N GLY A 40 31.628 53.079 5.663 1.00 93.62 N
301
+ ATOM 301 O GLY A 40 34.902 51.691 4.971 1.00 90.66 O
302
+ ATOM 302 C HIS A 41 32.946 49.882 2.338 1.00 92.98 C
303
+ ATOM 303 CA HIS A 41 33.372 49.884 3.802 1.00 92.67 C
304
+ ATOM 304 CB HIS A 41 32.879 48.613 4.495 1.00 90.42 C
305
+ ATOM 305 CD2 HIS A 41 34.550 46.638 4.297 1.00 71.04 C
306
+ ATOM 306 CE1 HIS A 41 33.643 45.633 2.573 1.00 68.68 C
307
+ ATOM 307 CG HIS A 41 33.463 47.358 3.930 1.00 79.66 C
308
+ ATOM 308 N HIS A 41 32.873 51.068 4.493 1.00 92.90 N
309
+ ATOM 309 ND1 HIS A 41 32.916 46.704 2.847 1.00 69.44 N
310
+ ATOM 310 NE2 HIS A 41 34.640 45.570 3.438 1.00 67.79 N
311
+ ATOM 311 O HIS A 41 31.754 49.807 2.034 1.00 92.09 O
312
+ ATOM 312 C GLN A 42 32.641 50.926 -0.309 1.00 92.93 C
313
+ ATOM 313 CA GLN A 42 33.743 49.942 0.070 1.00 92.22 C
314
+ ATOM 314 CB GLN A 42 33.377 48.536 -0.409 1.00 90.90 C
315
+ ATOM 315 CD GLN A 42 34.099 46.126 -0.690 1.00 81.01 C
316
+ ATOM 316 CG GLN A 42 34.471 47.502 -0.172 1.00 86.60 C
317
+ ATOM 317 N GLN A 42 33.981 49.948 1.509 1.00 92.18 N
318
+ ATOM 318 NE2 GLN A 42 34.890 45.122 -0.327 1.00 75.70 N
319
+ ATOM 319 O GLN A 42 32.690 52.098 0.071 1.00 91.85 O
320
+ ATOM 320 OE1 GLN A 42 33.109 45.965 -1.410 1.00 79.58 O
321
+ ATOM 321 C ASP A 43 29.388 51.030 -0.747 1.00 94.68 C
322
+ ATOM 322 CA ASP A 43 30.688 51.404 -1.454 1.00 94.77 C
323
+ ATOM 323 CB ASP A 43 30.492 51.372 -2.970 1.00 93.77 C
324
+ ATOM 324 CG ASP A 43 29.950 50.045 -3.471 1.00 91.91 C
325
+ ATOM 325 N ASP A 43 31.775 50.512 -1.059 1.00 94.10 N
326
+ ATOM 326 O ASP A 43 28.300 51.225 -1.294 1.00 93.79 O
327
+ ATOM 327 OD1 ASP A 43 30.022 49.039 -2.731 1.00 89.82 O
328
+ ATOM 328 OD2 ASP A 43 29.449 50.003 -4.616 1.00 90.61 O
329
+ ATOM 329 C LYS A 44 27.683 51.205 1.878 1.00 96.26 C
330
+ ATOM 330 CA LYS A 44 28.286 50.018 1.133 1.00 95.82 C
331
+ ATOM 331 CB LYS A 44 28.653 48.910 2.120 1.00 94.28 C
332
+ ATOM 332 CD LYS A 44 27.845 47.048 3.611 1.00 75.76 C
333
+ ATOM 333 CE LYS A 44 26.653 46.449 4.344 1.00 67.81 C
334
+ ATOM 334 CG LYS A 44 27.458 48.306 2.844 1.00 80.64 C
335
+ ATOM 335 N LYS A 44 29.456 50.422 0.358 1.00 95.72 N
336
+ ATOM 336 NZ LYS A 44 27.002 45.156 5.007 1.00 62.34 N
337
+ ATOM 337 O LYS A 44 28.393 51.933 2.575 1.00 96.12 O
338
+ ATOM 338 C VAL A 45 24.466 51.688 3.291 1.00 96.54 C
339
+ ATOM 339 CA VAL A 45 25.602 52.316 2.488 1.00 96.56 C
340
+ ATOM 340 CB VAL A 45 25.042 53.367 1.502 1.00 96.34 C
341
+ ATOM 341 CG1 VAL A 45 26.170 54.003 0.692 1.00 94.97 C
342
+ ATOM 342 CG2 VAL A 45 24.008 52.729 0.577 1.00 94.69 C
343
+ ATOM 343 N VAL A 45 26.351 51.275 1.793 1.00 96.44 N
344
+ ATOM 344 O VAL A 45 24.058 50.556 3.021 1.00 96.32 O
345
+ ATOM 345 C ARG A 46 21.839 53.194 5.139 1.00 97.26 C
346
+ ATOM 346 CA ARG A 46 22.796 52.013 5.010 1.00 97.15 C
347
+ ATOM 347 CB ARG A 46 23.180 51.497 6.398 1.00 96.45 C
348
+ ATOM 348 CD ARG A 46 23.955 49.548 7.792 1.00 84.58 C
349
+ ATOM 349 CG ARG A 46 23.820 50.117 6.387 1.00 89.36 C
350
+ ATOM 350 CZ ARG A 46 23.988 47.083 7.596 1.00 74.47 C
351
+ ATOM 351 N ARG A 46 23.987 52.384 4.253 1.00 97.22 N
352
+ ATOM 352 NE ARG A 46 24.611 48.243 7.783 1.00 81.55 N
353
+ ATOM 353 NH1 ARG A 46 22.676 47.042 7.398 1.00 69.99 N
354
+ ATOM 354 NH2 ARG A 46 24.682 45.954 7.608 1.00 64.87 N
355
+ ATOM 355 O ARG A 46 22.273 54.345 5.219 1.00 97.03 O
356
+ ATOM 356 C CYS A 47 19.446 54.242 6.862 1.00 97.50 C
357
+ ATOM 357 CA CYS A 47 19.487 53.896 5.378 1.00 97.55 C
358
+ ATOM 358 CB CYS A 47 18.109 53.422 4.917 1.00 97.38 C
359
+ ATOM 359 N CYS A 47 20.495 52.876 5.108 1.00 97.62 N
360
+ ATOM 360 O CYS A 47 19.409 53.349 7.711 1.00 97.09 O
361
+ ATOM 361 SG CYS A 47 16.772 54.562 5.332 1.00 97.17 S
362
+ ATOM 362 C PHE A 48 18.142 55.485 9.333 1.00 96.69 C
363
+ ATOM 363 CA PHE A 48 19.429 55.907 8.634 1.00 96.95 C
364
+ ATOM 364 CB PHE A 48 19.627 57.421 8.768 1.00 96.81 C
365
+ ATOM 365 CD1 PHE A 48 17.999 58.569 7.230 1.00 95.41 C
366
+ ATOM 366 CD2 PHE A 48 17.576 58.624 9.584 1.00 95.08 C
367
+ ATOM 367 CE1 PHE A 48 16.842 59.309 7.000 1.00 94.29 C
368
+ ATOM 368 CE2 PHE A 48 16.419 59.365 9.361 1.00 94.33 C
369
+ ATOM 369 CG PHE A 48 18.376 58.220 8.522 1.00 96.36 C
370
+ ATOM 370 CZ PHE A 48 16.054 59.707 8.069 1.00 93.73 C
371
+ ATOM 371 N PHE A 48 19.409 55.515 7.230 1.00 97.02 N
372
+ ATOM 372 O PHE A 48 18.106 55.366 10.560 1.00 96.00 O
373
+ ATOM 373 C PHE A 49 15.538 53.605 9.207 1.00 96.67 C
374
+ ATOM 374 CA PHE A 49 15.831 55.093 9.060 1.00 96.82 C
375
+ ATOM 375 CB PHE A 49 14.747 55.760 8.205 1.00 96.38 C
376
+ ATOM 376 CD1 PHE A 49 12.487 54.911 8.911 1.00 90.40 C
377
+ ATOM 377 CD2 PHE A 49 13.143 57.107 9.593 1.00 89.82 C
378
+ ATOM 378 CE1 PHE A 49 11.268 55.066 9.568 1.00 89.45 C
379
+ ATOM 379 CE2 PHE A 49 11.927 57.268 10.252 1.00 88.99 C
380
+ ATOM 380 CG PHE A 49 13.433 55.930 8.917 1.00 94.30 C
381
+ ATOM 381 CZ PHE A 49 10.991 56.247 10.238 1.00 88.27 C
382
+ ATOM 382 N PHE A 49 17.149 55.306 8.474 1.00 96.97 N
383
+ ATOM 383 O PHE A 49 15.316 53.118 10.318 1.00 95.92 O
384
+ ATOM 384 C CYS A 50 16.370 50.484 8.298 1.00 95.67 C
385
+ ATOM 385 CA CYS A 50 15.161 51.396 8.132 1.00 96.16 C
386
+ ATOM 386 CB CYS A 50 14.399 51.024 6.861 1.00 95.90 C
387
+ ATOM 387 N CYS A 50 15.564 52.797 8.096 1.00 96.23 N
388
+ ATOM 388 O CYS A 50 16.223 49.267 8.422 1.00 94.65 O
389
+ ATOM 389 SG CYS A 50 15.394 51.140 5.357 1.00 96.66 S
390
+ ATOM 390 C TYR A 51 19.117 49.418 7.221 1.00 95.73 C
391
+ ATOM 391 CA TYR A 51 18.854 50.417 8.341 1.00 96.05 C
392
+ ATOM 392 CB TYR A 51 18.956 49.717 9.699 1.00 95.39 C
393
+ ATOM 393 CD1 TYR A 51 21.251 50.607 10.260 1.00 89.76 C
394
+ ATOM 394 CD2 TYR A 51 20.838 48.273 10.556 1.00 89.74 C
395
+ ATOM 395 CE1 TYR A 51 22.560 50.438 10.702 1.00 88.83 C
396
+ ATOM 396 CE2 TYR A 51 22.145 48.093 11.000 1.00 88.98 C
397
+ ATOM 397 CG TYR A 51 20.373 49.529 10.181 1.00 93.53 C
398
+ ATOM 398 CZ TYR A 51 22.996 49.179 11.069 1.00 88.12 C
399
+ ATOM 399 N TYR A 51 17.547 51.044 8.184 1.00 96.06 N
400
+ ATOM 400 O TYR A 51 20.015 48.579 7.327 1.00 94.68 O
401
+ ATOM 401 OH TYR A 51 24.290 49.007 11.507 1.00 78.42 O
402
+ ATOM 402 C GLY A 52 19.943 48.967 4.379 1.00 96.76 C
403
+ ATOM 403 CA GLY A 52 18.622 48.623 5.041 1.00 96.58 C
404
+ ATOM 404 N GLY A 52 18.349 49.425 6.222 1.00 96.56 N
405
+ ATOM 405 O GLY A 52 20.273 50.143 4.216 1.00 96.52 O
406
+ ATOM 406 C GLY A 53 22.059 47.887 1.917 1.00 95.99 C
407
+ ATOM 407 CA GLY A 53 21.986 48.212 3.397 1.00 96.16 C
408
+ ATOM 408 N GLY A 53 20.652 48.046 3.954 1.00 96.18 N
409
+ ATOM 409 O GLY A 53 21.454 46.914 1.459 1.00 95.38 O
410
+ ATOM 410 C LEU A 54 24.403 48.674 -0.645 1.00 96.00 C
411
+ ATOM 411 CA LEU A 54 22.935 48.472 -0.284 1.00 96.26 C
412
+ ATOM 412 CB LEU A 54 22.062 49.441 -1.086 1.00 96.05 C
413
+ ATOM 413 CD1 LEU A 54 19.815 50.398 -1.655 1.00 93.45 C
414
+ ATOM 414 CD2 LEU A 54 20.114 47.912 -1.497 1.00 93.05 C
415
+ ATOM 415 CG LEU A 54 20.549 49.265 -0.945 1.00 95.15 C
416
+ ATOM 416 N LEU A 54 22.721 48.657 1.147 1.00 96.29 N
417
+ ATOM 417 O LEU A 54 25.110 49.438 0.015 1.00 95.48 O
418
+ ATOM 418 C GLN A 55 26.333 47.728 -3.672 1.00 94.42 C
419
+ ATOM 419 CA GLN A 55 26.283 48.070 -2.186 1.00 94.88 C
420
+ ATOM 420 CB GLN A 55 27.222 47.150 -1.404 1.00 94.05 C
421
+ ATOM 421 CD GLN A 55 27.842 44.780 -0.768 1.00 87.26 C
422
+ ATOM 422 CG GLN A 55 26.898 45.670 -1.554 1.00 91.06 C
423
+ ATOM 423 N GLN A 55 24.923 47.973 -1.669 1.00 94.88 N
424
+ ATOM 424 NE2 GLN A 55 27.915 43.509 -1.150 1.00 84.40 N
425
+ ATOM 425 O GLN A 55 25.309 47.398 -4.274 1.00 93.31 O
426
+ ATOM 426 OE1 GLN A 55 28.502 45.230 0.174 1.00 86.18 O
427
+ ATOM 427 C SER A 56 26.972 48.522 -6.572 1.00 93.26 C
428
+ ATOM 428 CA SER A 56 27.779 47.601 -5.663 1.00 93.21 C
429
+ ATOM 429 CB SER A 56 27.451 46.142 -5.983 1.00 92.03 C
430
+ ATOM 430 N SER A 56 27.519 47.886 -4.255 1.00 93.37 N
431
+ ATOM 431 O SER A 56 26.260 48.056 -7.463 1.00 92.21 O
432
+ ATOM 432 OG SER A 56 28.279 45.265 -5.238 1.00 84.79 O
433
+ ATOM 433 C TRP A 57 26.956 50.945 -8.580 1.00 91.54 C
434
+ ATOM 434 CA TRP A 57 26.405 50.847 -7.162 1.00 94.12 C
435
+ ATOM 435 CB TRP A 57 26.546 52.196 -6.450 1.00 93.51 C
436
+ ATOM 436 CD1 TRP A 57 26.649 51.949 -3.897 1.00 88.44 C
437
+ ATOM 437 CD2 TRP A 57 24.632 52.509 -4.691 1.00 88.89 C
438
+ ATOM 438 CE2 TRP A 57 24.551 52.405 -3.285 1.00 92.16 C
439
+ ATOM 439 CE3 TRP A 57 23.481 52.853 -5.413 1.00 89.44 C
440
+ ATOM 440 CG TRP A 57 25.983 52.214 -5.061 1.00 92.12 C
441
+ ATOM 441 CH2 TRP A 57 22.253 52.967 -3.316 1.00 87.70 C
442
+ ATOM 442 CZ2 TRP A 57 23.363 52.632 -2.586 1.00 88.09 C
443
+ ATOM 443 CZ3 TRP A 57 22.300 53.078 -4.716 1.00 88.11 C
444
+ ATOM 444 N TRP A 57 27.086 49.797 -6.410 1.00 93.50 N
445
+ ATOM 445 NE1 TRP A 57 25.794 52.062 -2.826 1.00 88.80 N
446
+ ATOM 446 O TRP A 57 28.170 50.892 -8.787 1.00 87.77 O
447
+ ATOM 447 C LYS A 58 25.952 52.564 -11.531 1.00 91.58 C
448
+ ATOM 448 CA LYS A 58 26.355 51.192 -10.996 1.00 91.32 C
449
+ ATOM 449 CB LYS A 58 25.690 50.091 -11.823 1.00 88.78 C
450
+ ATOM 450 CD LYS A 58 25.361 47.631 -12.241 1.00 75.15 C
451
+ ATOM 451 CE LYS A 58 25.694 46.219 -11.777 1.00 67.17 C
452
+ ATOM 452 CG LYS A 58 26.044 48.681 -11.374 1.00 78.07 C
453
+ ATOM 453 N LYS A 58 26.005 51.055 -9.584 1.00 91.96 N
454
+ ATOM 454 NZ LYS A 58 25.126 45.186 -12.694 1.00 62.86 N
455
+ ATOM 455 O LYS A 58 25.083 53.228 -10.962 1.00 90.55 O
456
+ ATOM 456 C ARG A 59 24.711 54.017 -13.657 1.00 90.54 C
457
+ ATOM 457 CA ARG A 59 26.198 54.062 -13.327 1.00 90.25 C
458
+ ATOM 458 CB ARG A 59 27.011 54.293 -14.602 1.00 87.38 C
459
+ ATOM 459 CD ARG A 59 27.676 55.871 -16.450 1.00 75.19 C
460
+ ATOM 460 CG ARG A 59 26.755 55.640 -15.259 1.00 77.95 C
461
+ ATOM 461 CZ ARG A 59 28.431 57.915 -17.621 1.00 67.41 C
462
+ ATOM 462 N ARG A 59 26.624 52.833 -12.663 1.00 90.66 N
463
+ ATOM 463 NE ARG A 59 27.478 57.192 -17.037 1.00 69.84 N
464
+ ATOM 464 NH1 ARG A 59 29.673 57.454 -17.706 1.00 59.99 N
465
+ ATOM 465 NH2 ARG A 59 28.140 59.106 -18.121 1.00 54.83 N
466
+ ATOM 466 O ARG A 59 24.207 53.002 -14.142 1.00 89.15 O
467
+ ATOM 467 C GLY A 60 21.724 54.734 -12.485 1.00 91.48 C
468
+ ATOM 468 CA GLY A 60 22.660 55.188 -13.588 1.00 90.73 C
469
+ ATOM 469 N GLY A 60 24.064 55.099 -13.220 1.00 90.70 N
470
+ ATOM 470 O GLY A 60 20.508 54.908 -12.583 1.00 90.64 O
471
+ ATOM 471 C ASP A 61 20.917 54.916 -9.766 1.00 94.11 C
472
+ ATOM 472 CA ASP A 61 21.525 53.664 -10.395 1.00 94.00 C
473
+ ATOM 473 CB ASP A 61 22.301 52.872 -9.341 1.00 93.59 C
474
+ ATOM 474 CG ASP A 61 22.496 51.415 -9.721 1.00 92.72 C
475
+ ATOM 475 N ASP A 61 22.391 54.009 -11.518 1.00 93.60 N
476
+ ATOM 476 O ASP A 61 21.606 55.923 -9.582 1.00 93.66 O
477
+ ATOM 477 OD1 ASP A 61 21.869 50.950 -10.698 1.00 91.92 O
478
+ ATOM 478 OD2 ASP A 61 23.280 50.723 -9.035 1.00 90.78 O
479
+ ATOM 479 C ASP A 62 18.642 55.414 -7.276 1.00 95.95 C
480
+ ATOM 480 CA ASP A 62 18.842 55.902 -8.709 1.00 95.48 C
481
+ ATOM 481 CB ASP A 62 17.490 56.232 -9.345 1.00 94.69 C
482
+ ATOM 482 CG ASP A 62 16.676 57.220 -8.529 1.00 90.82 C
483
+ ATOM 483 N ASP A 62 19.555 54.909 -9.507 1.00 95.20 N
484
+ ATOM 484 O ASP A 62 17.944 54.426 -7.043 1.00 95.88 O
485
+ ATOM 485 OD1 ASP A 62 15.519 56.910 -8.172 1.00 87.58 O
486
+ ATOM 486 OD2 ASP A 62 17.196 58.321 -8.242 1.00 88.21 O
487
+ ATOM 487 C PRO A 63 17.824 55.389 -4.429 1.00 97.01 C
488
+ ATOM 488 CA PRO A 63 19.249 55.539 -4.958 1.00 96.79 C
489
+ ATOM 489 CB PRO A 63 20.009 56.618 -4.182 1.00 96.55 C
490
+ ATOM 490 CD PRO A 63 20.340 57.226 -6.514 1.00 94.99 C
491
+ ATOM 491 CG PRO A 63 20.992 57.170 -5.163 1.00 95.88 C
492
+ ATOM 492 N PRO A 63 19.291 56.023 -6.340 1.00 96.58 N
493
+ ATOM 493 O PRO A 63 17.533 54.447 -3.687 1.00 96.96 O
494
+ ATOM 494 C TRP A 64 14.880 54.902 -4.924 1.00 96.61 C
495
+ ATOM 495 CA TRP A 64 15.498 56.175 -4.358 1.00 96.80 C
496
+ ATOM 496 CB TRP A 64 14.671 57.392 -4.782 1.00 96.63 C
497
+ ATOM 497 CD1 TRP A 64 15.698 59.728 -4.510 1.00 93.54 C
498
+ ATOM 498 CD2 TRP A 64 14.673 58.950 -2.678 1.00 93.39 C
499
+ ATOM 499 CE2 TRP A 64 15.191 60.233 -2.395 1.00 93.21 C
500
+ ATOM 500 CE3 TRP A 64 13.983 58.259 -1.672 1.00 94.37 C
501
+ ATOM 501 CG TRP A 64 15.008 58.647 -4.036 1.00 95.70 C
502
+ ATOM 502 CH2 TRP A 64 14.362 60.143 -0.180 1.00 93.32 C
503
+ ATOM 503 CZ2 TRP A 64 15.041 60.840 -1.146 1.00 93.78 C
504
+ ATOM 504 CZ3 TRP A 64 13.835 58.865 -0.429 1.00 93.56 C
505
+ ATOM 505 N TRP A 64 16.883 56.320 -4.794 1.00 96.80 N
506
+ ATOM 506 NE1 TRP A 64 15.811 60.685 -3.528 1.00 95.00 N
507
+ ATOM 507 O TRP A 64 14.178 54.177 -4.215 1.00 96.08 O
508
+ ATOM 508 C THR A 65 15.140 52.209 -6.219 1.00 95.95 C
509
+ ATOM 509 CA THR A 65 14.579 53.477 -6.856 1.00 95.95 C
510
+ ATOM 510 CB THR A 65 14.896 53.482 -8.363 1.00 95.34 C
511
+ ATOM 511 CG2 THR A 65 14.462 52.176 -9.020 1.00 90.05 C
512
+ ATOM 512 N THR A 65 15.112 54.665 -6.199 1.00 96.00 N
513
+ ATOM 513 O THR A 65 14.395 51.267 -5.939 1.00 95.59 O
514
+ ATOM 514 OG1 THR A 65 14.205 54.570 -8.987 1.00 89.54 O
515
+ ATOM 515 C GLU A 66 16.540 50.850 -3.896 1.00 96.23 C
516
+ ATOM 516 CA GLU A 66 17.040 51.041 -5.325 1.00 96.07 C
517
+ ATOM 517 CB GLU A 66 18.565 51.179 -5.334 1.00 95.51 C
518
+ ATOM 518 CD GLU A 66 18.898 49.816 -7.451 1.00 90.12 C
519
+ ATOM 519 CG GLU A 66 19.180 51.121 -6.725 1.00 92.92 C
520
+ ATOM 520 N GLU A 66 16.417 52.201 -5.953 1.00 95.98 N
521
+ ATOM 521 O GLU A 66 16.328 49.719 -3.453 1.00 96.02 O
522
+ ATOM 522 OE1 GLU A 66 19.211 48.735 -6.901 1.00 88.88 O
523
+ ATOM 523 OE2 GLU A 66 18.360 49.874 -8.579 1.00 88.81 O
524
+ ATOM 524 C HIS A 67 14.397 51.261 -1.930 1.00 96.68 C
525
+ ATOM 525 CA HIS A 67 15.786 51.890 -1.893 1.00 96.71 C
526
+ ATOM 526 CB HIS A 67 15.712 53.287 -1.273 1.00 96.48 C
527
+ ATOM 527 CD2 HIS A 67 15.087 52.297 1.042 1.00 91.90 C
528
+ ATOM 528 CE1 HIS A 67 15.486 54.076 2.259 1.00 91.88 C
529
+ ATOM 529 CG HIS A 67 15.511 53.277 0.209 1.00 95.29 C
530
+ ATOM 530 N HIS A 67 16.372 51.953 -3.226 1.00 96.69 N
531
+ ATOM 531 ND1 HIS A 67 15.752 54.379 1.000 1.00 91.41 N
532
+ ATOM 532 NE2 HIS A 67 15.081 52.818 2.312 1.00 92.96 N
533
+ ATOM 533 O HIS A 67 14.078 50.403 -1.104 1.00 96.33 O
534
+ ATOM 534 C ALA A 68 12.145 49.759 -3.397 1.00 95.83 C
535
+ ATOM 535 CA ALA A 68 12.174 51.222 -2.968 1.00 96.13 C
536
+ ATOM 536 CB ALA A 68 11.407 52.083 -3.969 1.00 95.80 C
537
+ ATOM 537 N ALA A 68 13.547 51.702 -2.831 1.00 96.18 N
538
+ ATOM 538 O ALA A 68 11.278 48.996 -2.964 1.00 95.21 O
539
+ ATOM 539 C LYS A 69 13.432 47.029 -3.632 1.00 95.58 C
540
+ ATOM 540 CA LYS A 69 13.149 48.028 -4.750 1.00 95.63 C
541
+ ATOM 541 CB LYS A 69 14.229 47.926 -5.828 1.00 94.85 C
542
+ ATOM 542 CD LYS A 69 15.482 46.493 -7.475 1.00 83.30 C
543
+ ATOM 543 CE LYS A 69 15.753 45.073 -7.952 1.00 76.52 C
544
+ ATOM 544 CG LYS A 69 14.412 46.525 -6.391 1.00 89.16 C
545
+ ATOM 545 N LYS A 69 13.069 49.390 -4.231 1.00 95.79 N
546
+ ATOM 546 NZ LYS A 69 16.892 45.021 -8.918 1.00 68.70 N
547
+ ATOM 547 O LYS A 69 12.793 45.977 -3.555 1.00 95.05 O
548
+ ATOM 548 C TRP A 70 14.189 46.577 -0.365 1.00 95.02 C
549
+ ATOM 549 CA TRP A 70 14.840 46.397 -1.731 1.00 95.28 C
550
+ ATOM 550 CB TRP A 70 16.361 46.522 -1.607 1.00 94.66 C
551
+ ATOM 551 CD1 TRP A 70 17.705 46.942 -3.753 1.00 84.31 C
552
+ ATOM 552 CD2 TRP A 70 17.336 44.780 -3.302 1.00 85.19 C
553
+ ATOM 553 CE2 TRP A 70 18.077 44.872 -4.500 1.00 86.63 C
554
+ ATOM 554 CE3 TRP A 70 16.984 43.514 -2.816 1.00 86.68 C
555
+ ATOM 555 CG TRP A 70 17.109 46.116 -2.841 1.00 91.43 C
556
+ ATOM 556 CH2 TRP A 70 18.117 42.515 -4.722 1.00 85.54 C
557
+ ATOM 557 CZ2 TRP A 70 18.474 43.742 -5.220 1.00 89.11 C
558
+ ATOM 558 CZ3 TRP A 70 17.380 42.391 -3.533 1.00 87.00 C
559
+ ATOM 559 N TRP A 70 14.321 47.369 -2.688 1.00 95.15 N
560
+ ATOM 560 NE1 TRP A 70 18.289 46.199 -4.753 1.00 91.44 N
561
+ ATOM 561 O TRP A 70 14.063 45.618 0.402 1.00 94.18 O
562
+ ATOM 562 C PHE A 71 11.978 48.920 1.162 1.00 95.71 C
563
+ ATOM 563 CA PHE A 71 13.257 48.103 1.306 1.00 95.76 C
564
+ ATOM 564 CB PHE A 71 14.271 48.862 2.167 1.00 95.52 C
565
+ ATOM 565 CD1 PHE A 71 15.760 47.129 3.218 1.00 93.58 C
566
+ ATOM 566 CD2 PHE A 71 16.678 48.537 1.517 1.00 93.35 C
567
+ ATOM 567 CE1 PHE A 71 16.986 46.479 3.347 1.00 92.47 C
568
+ ATOM 568 CE2 PHE A 71 17.905 47.892 1.641 1.00 92.78 C
569
+ ATOM 569 CG PHE A 71 15.596 48.162 2.304 1.00 94.91 C
570
+ ATOM 570 CZ PHE A 71 18.057 46.864 2.557 1.00 91.98 C
571
+ ATOM 571 N PHE A 71 13.824 47.795 -0.002 1.00 95.69 N
572
+ ATOM 572 O PHE A 71 11.912 50.064 1.616 1.00 95.13 O
573
+ ATOM 573 C PRO A 72 8.919 49.502 1.426 1.00 94.39 C
574
+ ATOM 574 CA PRO A 72 9.736 49.080 0.206 1.00 94.87 C
575
+ ATOM 575 CB PRO A 72 8.956 48.083 -0.654 1.00 94.32 C
576
+ ATOM 576 CD PRO A 72 10.884 46.830 0.140 1.00 92.50 C
577
+ ATOM 577 CG PRO A 72 9.423 46.738 -0.198 1.00 93.50 C
578
+ ATOM 578 N PRO A 72 10.948 48.342 0.566 1.00 94.70 N
579
+ ATOM 579 O PRO A 72 8.028 50.349 1.315 1.00 93.43 O
580
+ ATOM 580 C SER A 73 9.040 50.402 4.642 1.00 94.80 C
581
+ ATOM 581 CA SER A 73 8.400 49.274 3.841 1.00 94.77 C
582
+ ATOM 582 CB SER A 73 8.232 48.039 4.728 1.00 93.82 C
583
+ ATOM 583 N SER A 73 9.189 48.952 2.657 1.00 94.80 N
584
+ ATOM 584 O SER A 73 8.539 50.780 5.704 1.00 94.19 O
585
+ ATOM 585 OG SER A 73 9.493 47.518 5.107 1.00 82.81 O
586
+ ATOM 586 C CYS A 74 9.956 53.201 4.964 1.00 95.64 C
587
+ ATOM 587 CA CYS A 74 10.852 51.974 4.839 1.00 96.04 C
588
+ ATOM 588 CB CYS A 74 12.143 52.347 4.113 1.00 95.89 C
589
+ ATOM 589 N CYS A 74 10.165 50.895 4.140 1.00 95.97 N
590
+ ATOM 590 O CYS A 74 9.551 53.784 3.957 1.00 94.85 O
591
+ ATOM 591 SG CYS A 74 12.953 53.820 4.775 1.00 96.06 S
592
+ ATOM 592 C GLN A 75 9.395 56.106 5.886 1.00 95.81 C
593
+ ATOM 593 CA GLN A 75 8.806 54.798 6.407 1.00 95.63 C
594
+ ATOM 594 CB GLN A 75 8.480 54.925 7.896 1.00 94.12 C
595
+ ATOM 595 CD GLN A 75 6.246 53.739 7.781 1.00 72.99 C
596
+ ATOM 596 CG GLN A 75 7.615 53.794 8.435 1.00 79.91 C
597
+ ATOM 597 N GLN A 75 9.716 53.682 6.175 1.00 95.64 N
598
+ ATOM 598 NE2 GLN A 75 5.786 52.531 7.472 1.00 59.91 N
599
+ ATOM 599 O GLN A 75 8.663 56.979 5.416 1.00 95.36 O
600
+ ATOM 600 OE1 GLN A 75 5.609 54.772 7.557 1.00 69.27 O
601
+ ATOM 601 C PHE A 76 11.147 57.500 3.906 1.00 96.27 C
602
+ ATOM 602 CA PHE A 76 11.380 57.425 5.410 1.00 96.19 C
603
+ ATOM 603 CB PHE A 76 12.883 57.414 5.710 1.00 96.11 C
604
+ ATOM 604 CD1 PHE A 76 13.556 59.811 5.357 1.00 95.11 C
605
+ ATOM 605 CD2 PHE A 76 14.480 58.145 3.913 1.00 94.85 C
606
+ ATOM 606 CE1 PHE A 76 14.271 60.798 4.683 1.00 94.51 C
607
+ ATOM 607 CE2 PHE A 76 15.197 59.126 3.234 1.00 94.56 C
608
+ ATOM 608 CG PHE A 76 13.655 58.478 4.979 1.00 95.77 C
609
+ ATOM 609 CZ PHE A 76 15.091 60.452 3.620 1.00 93.96 C
610
+ ATOM 610 N PHE A 76 10.735 56.246 5.977 1.00 95.96 N
611
+ ATOM 611 O PHE A 76 10.836 58.567 3.374 1.00 96.03 O
612
+ ATOM 612 C LEU A 77 9.618 56.595 1.540 1.00 96.22 C
613
+ ATOM 613 CA LEU A 77 11.069 56.254 1.863 1.00 96.37 C
614
+ ATOM 614 CB LEU A 77 11.403 54.851 1.349 1.00 96.03 C
615
+ ATOM 615 CD1 LEU A 77 11.715 55.421 -1.073 1.00 90.22 C
616
+ ATOM 616 CD2 LEU A 77 11.203 53.060 -0.398 1.00 89.85 C
617
+ ATOM 617 CG LEU A 77 10.969 54.533 -0.083 1.00 94.10 C
618
+ ATOM 618 N LEU A 77 11.319 56.346 3.297 1.00 96.34 N
619
+ ATOM 619 O LEU A 77 9.349 57.398 0.644 1.00 95.75 O
620
+ ATOM 620 C LEU A 78 6.866 57.697 2.168 1.00 95.69 C
621
+ ATOM 621 CA LEU A 78 7.252 56.237 1.951 1.00 95.91 C
622
+ ATOM 622 CB LEU A 78 6.405 55.333 2.851 1.00 95.37 C
623
+ ATOM 623 CD1 LEU A 78 5.779 53.041 3.649 1.00 87.86 C
624
+ ATOM 624 CD2 LEU A 78 5.704 53.579 1.199 1.00 87.25 C
625
+ ATOM 625 CG LEU A 78 6.420 53.841 2.520 1.00 92.83 C
626
+ ATOM 626 N LEU A 78 8.673 56.031 2.212 1.00 95.92 N
627
+ ATOM 627 O LEU A 78 6.097 58.262 1.386 1.00 95.18 O
628
+ ATOM 628 C ARG A 79 7.720 60.712 2.407 1.00 95.93 C
629
+ ATOM 629 CA ARG A 79 7.119 59.795 3.467 1.00 95.73 C
630
+ ATOM 630 CB ARG A 79 7.634 60.188 4.853 1.00 94.19 C
631
+ ATOM 631 CD ARG A 79 7.383 60.018 7.354 1.00 72.89 C
632
+ ATOM 632 CG ARG A 79 6.813 59.620 6.000 1.00 78.81 C
633
+ ATOM 633 CZ ARG A 79 6.981 59.498 9.738 1.00 64.51 C
634
+ ATOM 634 N ARG A 79 7.424 58.396 3.185 1.00 95.91 N
635
+ ATOM 635 NE ARG A 79 6.665 59.374 8.451 1.00 69.19 N
636
+ ATOM 636 NH1 ARG A 79 8.010 60.247 10.115 1.00 54.56 N
637
+ ATOM 637 NH2 ARG A 79 6.260 58.868 10.654 1.00 48.15 N
638
+ ATOM 638 O ARG A 79 7.122 61.728 2.047 1.00 95.52 O
639
+ ATOM 639 C SER A 80 9.106 61.070 -0.418 1.00 96.50 C
640
+ ATOM 640 CA SER A 80 9.622 61.204 1.010 1.00 96.54 C
641
+ ATOM 641 CB SER A 80 11.117 60.885 1.054 1.00 96.16 C
642
+ ATOM 642 N SER A 80 8.886 60.333 1.922 1.00 96.55 N
643
+ ATOM 643 O SER A 80 8.970 62.067 -1.131 1.00 96.04 O
644
+ ATOM 644 OG SER A 80 11.651 61.152 2.340 1.00 88.47 O
645
+ ATOM 645 C LYS A 81 6.996 59.162 -2.451 1.00 95.35 C
646
+ ATOM 646 CA LYS A 81 8.451 59.580 -2.258 1.00 95.83 C
647
+ ATOM 647 CB LYS A 81 9.383 58.521 -2.850 1.00 95.40 C
648
+ ATOM 648 CD LYS A 81 11.108 60.215 -3.552 1.00 90.26 C
649
+ ATOM 649 CE LYS A 81 10.810 60.088 -5.040 1.00 86.98 C
650
+ ATOM 650 CG LYS A 81 10.855 58.904 -2.817 1.00 93.58 C
651
+ ATOM 651 N LYS A 81 8.753 59.797 -0.847 1.00 96.05 N
652
+ ATOM 652 NZ LYS A 81 11.137 61.346 -5.778 1.00 82.40 N
653
+ ATOM 653 O LYS A 81 6.467 59.232 -3.563 1.00 94.15 O
654
+ ATOM 654 C GLY A 82 4.830 56.863 -1.818 1.00 95.00 C
655
+ ATOM 655 CA GLY A 82 5.015 58.321 -1.441 1.00 95.17 C
656
+ ATOM 656 N GLY A 82 6.412 58.718 -1.361 1.00 95.18 N
657
+ ATOM 657 O GLY A 82 5.681 56.278 -2.490 1.00 94.34 O
658
+ ATOM 658 C ARG A 83 3.277 54.553 -3.136 1.00 94.57 C
659
+ ATOM 659 CA ARG A 83 3.374 54.898 -1.654 1.00 94.57 C
660
+ ATOM 660 CB ARG A 83 2.064 54.543 -0.946 1.00 92.43 C
661
+ ATOM 661 CD ARG A 83 0.892 53.975 1.209 1.00 71.96 C
662
+ ATOM 662 CG ARG A 83 2.190 54.444 0.566 1.00 76.99 C
663
+ ATOM 663 CZ ARG A 83 -0.059 53.779 3.483 1.00 63.48 C
664
+ ATOM 664 N ARG A 83 3.692 56.310 -1.464 1.00 94.54 N
665
+ ATOM 665 NE ARG A 83 0.958 54.040 2.666 1.00 67.43 N
666
+ ATOM 666 NH1 ARG A 83 -1.245 53.430 3.000 1.00 51.70 N
667
+ ATOM 667 NH2 ARG A 83 0.112 53.870 4.794 1.00 46.05 N
668
+ ATOM 668 O ARG A 83 3.625 53.444 -3.545 1.00 93.79 O
669
+ ATOM 669 C ASP A 84 3.975 54.967 -6.025 1.00 94.99 C
670
+ ATOM 670 CA ASP A 84 2.613 55.211 -5.377 1.00 94.70 C
671
+ ATOM 671 CB ASP A 84 1.904 56.378 -6.065 1.00 93.46 C
672
+ ATOM 672 CG ASP A 84 0.423 56.448 -5.738 1.00 85.32 C
673
+ ATOM 673 N ASP A 84 2.752 55.466 -3.946 1.00 94.55 N
674
+ ATOM 674 O ASP A 84 4.113 54.090 -6.879 1.00 94.67 O
675
+ ATOM 675 OD1 ASP A 84 -0.130 55.465 -5.200 1.00 77.02 O
676
+ ATOM 676 OD2 ASP A 84 -0.198 57.493 -6.025 1.00 81.42 O
677
+ ATOM 677 C PHE A 85 6.765 54.213 -5.801 1.00 95.04 C
678
+ ATOM 678 CA PHE A 85 6.271 55.618 -6.126 1.00 95.14 C
679
+ ATOM 679 CB PHE A 85 7.234 56.660 -5.548 1.00 94.94 C
680
+ ATOM 680 CD1 PHE A 85 9.179 56.756 -7.140 1.00 93.82 C
681
+ ATOM 681 CD2 PHE A 85 9.533 55.828 -4.965 1.00 93.65 C
682
+ ATOM 682 CE1 PHE A 85 10.515 56.525 -7.461 1.00 93.06 C
683
+ ATOM 683 CE2 PHE A 85 10.869 55.595 -5.278 1.00 93.19 C
684
+ ATOM 684 CG PHE A 85 8.678 56.410 -5.891 1.00 94.53 C
685
+ ATOM 685 CZ PHE A 85 11.358 55.943 -6.527 1.00 92.21 C
686
+ ATOM 686 N PHE A 85 4.922 55.824 -5.612 1.00 94.93 N
687
+ ATOM 687 O PHE A 85 7.249 53.500 -6.682 1.00 94.53 O
688
+ ATOM 688 C VAL A 86 6.399 51.410 -4.916 1.00 94.98 C
689
+ ATOM 689 CA VAL A 86 7.131 52.515 -4.159 1.00 95.41 C
690
+ ATOM 690 CB VAL A 86 6.941 52.335 -2.636 1.00 94.96 C
691
+ ATOM 691 CG1 VAL A 86 7.281 50.906 -2.215 1.00 92.36 C
692
+ ATOM 692 CG2 VAL A 86 7.798 53.340 -1.869 1.00 91.73 C
693
+ ATOM 693 N VAL A 86 6.656 53.820 -4.607 1.00 95.32 N
694
+ ATOM 694 O VAL A 86 7.022 50.460 -5.396 1.00 94.17 O
695
+ ATOM 695 C HIS A 87 4.791 50.438 -7.230 1.00 94.31 C
696
+ ATOM 696 CA HIS A 87 4.350 50.555 -5.775 1.00 94.28 C
697
+ ATOM 697 CB HIS A 87 2.863 50.906 -5.704 1.00 92.58 C
698
+ ATOM 698 CD2 HIS A 87 1.414 48.757 -5.815 1.00 65.47 C
699
+ ATOM 699 CE1 HIS A 87 0.798 48.905 -7.914 1.00 62.65 C
700
+ ATOM 700 CG HIS A 87 1.974 49.878 -6.328 1.00 78.77 C
701
+ ATOM 701 N HIS A 87 5.144 51.551 -5.063 1.00 94.35 N
702
+ ATOM 702 ND1 HIS A 87 1.570 49.944 -7.644 1.00 61.91 N
703
+ ATOM 703 NE2 HIS A 87 0.687 48.169 -6.821 1.00 61.46 N
704
+ ATOM 704 O HIS A 87 4.898 49.331 -7.763 1.00 93.57 O
705
+ ATOM 705 C SER A 88 6.773 50.760 -9.452 1.00 93.94 C
706
+ ATOM 706 CA SER A 88 5.425 51.451 -9.275 1.00 93.96 C
707
+ ATOM 707 CB SER A 88 5.493 52.871 -9.837 1.00 92.89 C
708
+ ATOM 708 N SER A 88 5.021 51.474 -7.873 1.00 94.06 N
709
+ ATOM 709 O SER A 88 6.969 50.005 -10.405 1.00 93.25 O
710
+ ATOM 710 OG SER A 88 6.638 53.551 -9.349 1.00 78.94 O
711
+ ATOM 711 C VAL A 89 8.849 48.910 -8.400 1.00 93.64 C
712
+ ATOM 712 CA VAL A 89 8.989 50.417 -8.604 1.00 94.49 C
713
+ ATOM 713 CB VAL A 89 9.952 51.009 -7.550 1.00 94.09 C
714
+ ATOM 714 CG1 VAL A 89 11.226 50.173 -7.452 1.00 92.09 C
715
+ ATOM 715 CG2 VAL A 89 10.286 52.461 -7.891 1.00 91.68 C
716
+ ATOM 716 N VAL A 89 7.675 51.048 -8.544 1.00 94.46 N
717
+ ATOM 717 O VAL A 89 9.468 48.120 -9.117 1.00 92.26 O
718
+ ATOM 718 C GLN A 90 7.239 46.365 -8.271 1.00 91.74 C
719
+ ATOM 719 CA GLN A 90 7.894 47.110 -7.112 1.00 92.95 C
720
+ ATOM 720 CB GLN A 90 7.057 46.945 -5.842 1.00 92.06 C
721
+ ATOM 721 CD GLN A 90 8.995 46.521 -4.269 1.00 86.44 C
722
+ ATOM 722 CG GLN A 90 7.778 47.374 -4.570 1.00 88.85 C
723
+ ATOM 723 N GLN A 90 8.073 48.524 -7.428 1.00 93.37 N
724
+ ATOM 724 NE2 GLN A 90 10.176 47.126 -4.342 1.00 85.19 N
725
+ ATOM 725 O GLN A 90 7.591 45.218 -8.556 1.00 89.88 O
726
+ ATOM 726 OE1 GLN A 90 8.875 45.328 -3.971 1.00 85.05 O
727
+ ATOM 727 C GLU A 91 6.609 46.174 -11.284 1.00 91.40 C
728
+ ATOM 728 CA GLU A 91 5.663 46.376 -10.105 1.00 91.80 C
729
+ ATOM 729 CB GLU A 91 4.457 47.216 -10.535 1.00 89.60 C
730
+ ATOM 730 CD GLU A 91 2.021 47.803 -10.124 1.00 73.81 C
731
+ ATOM 731 CG GLU A 91 3.265 47.106 -9.597 1.00 78.48 C
732
+ ATOM 732 N GLU A 91 6.349 47.002 -8.979 1.00 92.31 N
733
+ ATOM 733 O GLU A 91 6.510 45.177 -12.004 1.00 89.75 O
734
+ ATOM 734 OE1 GLU A 91 2.151 48.737 -10.949 1.00 70.96 O
735
+ ATOM 735 OE2 GLU A 91 0.907 47.414 -9.708 1.00 68.27 O
736
+ ATOM 736 C THR A 92 9.480 46.074 -12.281 1.00 86.55 C
737
+ ATOM 737 CA THR A 92 8.392 47.109 -12.553 1.00 88.28 C
738
+ ATOM 738 CB THR A 92 9.040 48.479 -12.827 1.00 85.74 C
739
+ ATOM 739 CG2 THR A 92 8.616 49.025 -14.187 1.00 72.22 C
740
+ ATOM 740 N THR A 92 7.456 47.181 -11.437 1.00 89.42 N
741
+ ATOM 741 O THR A 92 10.029 45.484 -13.213 1.00 82.85 O
742
+ ATOM 742 OG1 THR A 92 8.640 49.403 -11.807 1.00 72.26 O
743
+ ATOM 743 C HIS A 93 10.409 43.585 -10.275 1.00 73.76 C
744
+ ATOM 744 CA HIS A 93 10.928 44.931 -10.770 1.00 76.80 C
745
+ ATOM 745 CB HIS A 93 11.804 45.583 -9.698 1.00 72.40 C
746
+ ATOM 746 CD2 HIS A 93 13.930 46.760 -10.607 1.00 61.76 C
747
+ ATOM 747 CE1 HIS A 93 13.101 48.778 -10.824 1.00 59.56 C
748
+ ATOM 748 CG HIS A 93 12.636 46.715 -10.210 1.00 66.11 C
749
+ ATOM 749 N HIS A 93 9.830 45.815 -11.139 1.00 78.07 N
750
+ ATOM 750 ND1 HIS A 93 12.142 47.994 -10.357 1.00 61.68 N
751
+ ATOM 751 NE2 HIS A 93 14.195 48.054 -10.984 1.00 59.19 N
752
+ ATOM 752 O HIS A 93 11.187 42.747 -9.811 1.00 68.48 O
753
+ ATOM 753 C SER A 94 8.411 41.203 -11.474 1.00 61.46 C
754
+ ATOM 754 CA SER A 94 8.474 41.994 -10.171 1.00 65.72 C
755
+ ATOM 755 CB SER A 94 7.077 42.087 -9.555 1.00 59.36 C
756
+ ATOM 756 N SER A 94 9.029 43.326 -10.386 1.00 63.73 N
757
+ ATOM 757 O SER A 94 8.689 40.002 -11.491 1.00 59.58 O
758
+ ATOM 758 OG SER A 94 7.096 42.890 -8.386 1.00 50.55 O
759
+ TER 759 SER A 94
760
+ END
1oxq/1oxq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pxi/1pxi_ligand.mol2 ADDED
@@ -0,0 +1,55 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1pxi_ligand
7
+ 19 20 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 CL7A 14.1710 44.2750 29.7290 Cl 1 CK1 -0.0580
14
+ 2 C3A 13.9210 43.8330 28.1520 C.2 1 CK1 0.0971
15
+ 3 C4A 13.5610 44.8640 27.1930 C.2 1 CK1 -0.0496
16
+ 4 S2A 14.0410 42.2850 27.5350 S.3 1 CK1 -0.0080
17
+ 5 C1A 13.6360 42.9200 26.0360 C.2 1 CK1 0.1179
18
+ 6 CL6A 13.5570 41.8900 24.8440 Cl 1 CK1 -0.0424
19
+ 7 C5A 13.3880 44.2500 25.9070 C.2 1 CK1 0.0076
20
+ 8 C4 13.0440 45.0630 24.7370 C.ar 1 CK1 0.0385
21
+ 9 N3 13.6210 44.9160 23.5010 N.ar 1 CK1 -0.2598
22
+ 10 C5 12.0360 46.0840 24.8510 C.ar 1 CK1 -0.0241
23
+ 11 C6 11.7180 46.8850 23.7250 C.ar 1 CK1 0.0077
24
+ 12 N1 12.3890 46.5950 22.5350 N.ar 1 CK1 -0.2618
25
+ 13 C2 13.3000 45.6930 22.5060 C.ar 1 CK1 0.1805
26
+ 14 N7 13.8560 45.4570 21.3100 N.pl3 1 CK1 -0.3043
27
+ 15 H1 13.4424 45.9239 27.4130 H 1 CK1 0.0435
28
+ 16 H2 11.5225 46.2398 25.7929 H 1 CK1 0.0632
29
+ 17 H3 10.9886 47.6846 23.7850 H 1 CK1 0.0873
30
+ 18 H4 14.5942 44.7447 21.2168 H 1 CK1 0.1824
31
+ 19 H5 13.5452 45.9878 20.4838 H 1 CK1 0.1824
32
+ @<TRIPOS>BOND
33
+ 1 2 1 1
34
+ 2 2 3 2
35
+ 3 2 4 1
36
+ 4 3 7 1
37
+ 5 4 5 1
38
+ 6 5 6 1
39
+ 7 5 7 2
40
+ 8 7 8 1
41
+ 9 8 9 ar
42
+ 10 8 10 ar
43
+ 11 9 13 ar
44
+ 12 10 11 ar
45
+ 13 11 12 ar
46
+ 14 12 13 ar
47
+ 15 13 14 1
48
+ 16 3 15 1
49
+ 17 10 16 1
50
+ 18 11 17 1
51
+ 19 14 18 1
52
+ 20 14 19 1
53
+ @<TRIPOS>SUBSTRUCTURE
54
+ 1 CK1 1
55
+
1pxi/1pxi_ligand.sdf ADDED
@@ -0,0 +1,45 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1pxi_ligand
2
+ -I-interpret-
3
+
4
+ 19 20 0 0 0 0 0 0 0 0999 V2000
5
+ 14.1710 44.2750 29.7290 Cl 0 0 0 0 0
6
+ 13.9210 43.8330 28.1520 C 0 0 0 0 0
7
+ 13.5610 44.8640 27.1930 C 0 0 0 0 0
8
+ 14.0410 42.2850 27.5350 S 0 0 0 0 0
9
+ 13.6360 42.9200 26.0360 C 0 0 0 0 0
10
+ 13.5570 41.8900 24.8440 Cl 0 0 0 0 0
11
+ 13.3880 44.2500 25.9070 C 0 0 0 0 0
12
+ 13.0440 45.0630 24.7370 C 0 0 0 0 0
13
+ 13.6210 44.9160 23.5010 N 0 0 0 0 0
14
+ 12.0360 46.0840 24.8510 C 0 0 0 0 0
15
+ 11.7180 46.8850 23.7250 C 0 0 0 0 0
16
+ 12.3890 46.5950 22.5350 N 0 0 0 0 0
17
+ 13.3000 45.6930 22.5060 C 0 0 0 0 0
18
+ 13.8560 45.4570 21.3100 N 0 0 0 0 0
19
+ 13.4423 45.9249 27.4132 H 0 0 0 0 0
20
+ 11.5197 46.2407 25.7981 H 0 0 0 0 0
21
+ 10.9845 47.6890 23.7853 H 0 0 0 0 0
22
+ 14.5125 44.6847 21.1963 H 0 0 0 0 0
23
+ 13.6227 46.0496 20.5133 H 0 0 0 0 0
24
+ 2 1 1 0 0 0
25
+ 2 3 4 0 0 0
26
+ 2 4 4 0 0 0
27
+ 3 7 4 0 0 0
28
+ 4 5 4 0 0 0
29
+ 5 6 1 0 0 0
30
+ 5 7 4 0 0 0
31
+ 7 8 1 0 0 0
32
+ 8 9 4 0 0 0
33
+ 8 10 4 0 0 0
34
+ 9 13 4 0 0 0
35
+ 10 11 4 0 0 0
36
+ 11 12 4 0 0 0
37
+ 12 13 4 0 0 0
38
+ 13 14 1 0 0 0
39
+ 3 15 1 0 0 0
40
+ 10 16 1 0 0 0
41
+ 11 17 1 0 0 0
42
+ 14 18 1 0 0 0
43
+ 14 19 1 0 0 0
44
+ M END
45
+ $$$$
1pxi/1pxi_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pxi/1pxi_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1svh/1svh_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1svh/1svh_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w7x/1w7x_ligand.mol2 ADDED
@@ -0,0 +1,159 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1w7x_ligand
7
+ 70 73 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 O31 9.6510 39.6130 34.6010 O.2 1 413 -0.3917
14
+ 2 C31 9.1900 40.0340 33.5440 C.2 1 413 0.2142
15
+ 3 N4 7.9250 40.4530 33.4550 N.am 1 413 -0.2573
16
+ 4 C23 7.0610 40.4800 34.6210 C.3 1 413 0.1279
17
+ 5 C24 7.5880 41.5320 35.5400 C.ar 1 413 -0.0049
18
+ 6 C25 8.2140 42.6780 35.0240 C.ar 1 413 -0.0564
19
+ 7 C26 8.7230 43.6650 35.8700 C.ar 1 413 -0.0682
20
+ 8 C27 8.5870 43.5100 37.2490 C.ar 1 413 -0.0685
21
+ 9 C28 7.9750 42.3680 37.7780 C.ar 1 413 -0.0682
22
+ 10 C29 7.4770 41.3760 36.9210 C.ar 1 413 -0.0564
23
+ 11 C30 5.6730 40.9080 34.2600 C.2 1 413 0.0723
24
+ 12 O30 5.4660 41.3040 33.0920 O.co2 1 413 -0.5642
25
+ 13 O40 4.7950 40.8510 35.1530 O.co2 1 413 -0.5642
26
+ 14 C8 10.0100 40.1250 32.2890 C.3 1 413 0.1513
27
+ 15 N3 11.2010 39.2870 32.3880 N.pl3 1 413 -0.2937
28
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1w7x/1w7x_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w7x/1w7x_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xh7/1xh7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xh7/1xh7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gg8/2gg8_ligand.mol2 ADDED
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2gg8/2gg8_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gg8/2gg8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2kpl/2kpl_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:13:05 2018
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+ ###
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18
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19
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20
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21
+ 9 CZ 133.2490 17.4780 2.0050 C.cat 1 ARG 0.2882
22
+ 10 NH1 133.9070 17.5000 3.1540 N.pl3 1 ARG -0.2849
23
+ 11 NH2 132.2620 18.3420 1.7990 N.pl3 1 ARG -0.2849
24
+ 12 N 131.0060 12.4040 0.7800 N.am 1 SER -0.2589
25
+ 13 CA 130.2460 11.8120 -0.2850 C.3 1 SER 0.1540
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31
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44
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57
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60
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62
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63
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64
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72
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73
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74
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75
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76
+ 64 N 124.3790 0.1620 3.4720 N.am 1 GLU -0.2636
77
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78
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79
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80
+ 68 CB 125.1930 -2.0930 3.8140 C.3 1 GLU -0.0008
81
+ 69 CG 124.8790 -3.5690 4.0000 C.3 1 GLU 0.0044
82
+ 70 CD 124.2570 -4.1900 2.7820 C.2 1 GLU 0.0350
83
+ 71 OE1 125.0020 -4.4500 1.8140 O.co2 1 GLU -0.5690
84
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85
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86
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87
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88
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89
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90
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91
+ 79 CG2 119.6490 -0.2460 7.9110 C.3 1 THR -0.0346
92
+ 80 N 121.6560 -3.7720 7.1620 N.am 1 GLN -0.2635
93
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94
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95
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96
+ 84 CB 122.4100 -6.1430 7.4390 C.3 1 GLN 0.0045
97
+ 85 CG 123.3500 -5.9800 8.6260 C.3 1 GLN 0.0412
98
+ 86 CD 124.1740 -4.7020 8.5780 C.2 1 GLN 0.1737
99
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100
+ 88 NE2 124.5380 -4.1880 9.7140 N.am 1 GLN -0.3009
101
+ 89 N 119.0270 -5.6120 8.1530 N.am 1 VAL -0.2692
102
+ 90 CA 118.0020 -5.6570 9.1450 C.3 1 VAL 0.0967
103
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104
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105
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106
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107
+ 95 CG2 116.0850 -5.0400 7.6240 C.3 1 VAL -0.0590
108
+ 96 OXT 117.6400 -7.8350 8.3530 O.co2 1 VAL -0.5666
109
+ 97 H1 131.8596 14.1178 4.1064 H 1 ARG 0.2015
110
+ 98 H2 131.2452 12.7926 3.3475 H 1 ARG 0.2015
111
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112
+ 100 H4 132.0596 15.2895 2.0501 H 1 ARG 0.1098
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+ 101 H5 133.3321 12.5219 1.9028 H 1 ARG 0.0347
114
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116
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117
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+ 107 H11 132.9717 16.5429 0.2130 H 1 ARG 0.2642
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+ 108 H12 133.6605 18.1925 3.8755 H 1 ARG 0.2615
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+ 109 H13 134.6653 16.8246 3.3262 H 1 ARG 0.2615
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+ 110 H14 131.7456 18.3310 0.9079 H 1 ARG 0.2615
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+ 111 H15 132.0128 19.0232 2.5303 H 1 ARG 0.2615
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+ 120 H24 126.6344 14.0686 -0.7642 H 1 SER 0.0606
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+ 127 H31 124.3508 11.9289 -4.6738 H 1 ARG 0.0301
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+ 128 H32 121.9216 11.5050 -4.9343 H 1 ARG 0.0689
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+ 129 H33 122.6288 10.6436 -3.5256 H 1 ARG 0.0689
142
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146
+ 134 H38 119.5077 7.3791 -4.9032 H 1 ARG 0.2615
147
+ 135 H39 124.9437 8.0028 -1.4192 H 1 THR 0.1884
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+ 137 H41 128.0881 6.5434 -2.1423 H 1 THR 0.0639
150
+ 138 H42 128.7551 4.7406 -0.8293 H 1 THR 0.2101
151
+ 139 H43 128.7948 6.8234 0.1863 H 1 THR 0.0257
152
+ 140 H44 127.0979 6.5832 0.7243 H 1 THR 0.0257
153
+ 141 H45 127.5257 8.0014 -0.2917 H 1 THR 0.0257
154
+ 142 H46 124.4825 4.3153 -2.3372 H 1 ARG 0.1883
155
+ 143 H47 122.7724 4.6054 -0.0549 H 1 ARG 0.0800
156
+ 144 H48 121.5820 3.9330 -1.8458 H 1 ARG 0.0313
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+ 146 H50 123.4398 1.6349 -2.5270 H 1 ARG 0.0301
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+ 149 H53 122.0350 1.7262 -4.6330 H 1 ARG 0.0689
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+ 150 H54 120.9686 4.1079 -3.5269 H 1 ARG 0.2642
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+ 151 H55 118.2365 1.9211 -5.6088 H 1 ARG 0.2615
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+ 152 H56 119.7861 1.1650 -5.1505 H 1 ARG 0.2615
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+ 153 H57 118.9478 4.9875 -4.0131 H 1 ARG 0.2615
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+ 154 H58 117.7711 4.0514 -4.9731 H 1 ARG 0.2615
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+ 155 H59 122.7607 3.7122 1.8328 H 1 ARG 0.1883
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+ 156 H60 125.2288 2.2868 2.5762 H 1 ARG 0.0800
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+ 157 H61 124.5979 2.8103 4.8674 H 1 ARG 0.0313
170
+ 158 H62 122.9719 3.3519 4.3291 H 1 ARG 0.0313
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+ 159 H63 124.4155 5.2407 4.8456 H 1 ARG 0.0301
172
+ 160 H64 123.9852 5.2029 3.1020 H 1 ARG 0.0301
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+ 161 H65 126.1835 4.1638 2.6057 H 1 ARG 0.0689
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+ 162 H66 126.6115 4.2780 4.3466 H 1 ARG 0.0689
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+ 163 H67 125.7700 6.8159 3.1173 H 1 ARG 0.2642
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+ 164 H68 129.7097 5.9821 3.7155 H 1 ARG 0.2615
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+ 165 H69 128.5147 4.6613 3.8167 H 1 ARG 0.2615
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+ M END
395
+ $$$$
2kpl/2kpl_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,978 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N GLY A 1 119.042 8.887 -26.265 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 118.483 9.798 -25.279 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 118.976 9.529 -23.870 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 119.038 8.376 -23.438 1.00 0.00 O
6
+ ATOM 5 N ALA A 2 120.174 10.022 -23.455 1.00 0.00 N
7
+ ATOM 6 CA ALA A 2 120.829 9.628 -22.210 1.00 0.00 C
8
+ ATOM 7 C ALA A 2 119.807 9.170 -21.172 1.00 0.00 C
9
+ ATOM 8 CB ALA A 2 121.662 10.782 -21.659 1.00 0.00 C
10
+ ATOM 9 O ALA A 2 118.812 9.857 -20.929 1.00 0.00 O
11
+ ATOM 10 N MET A 3 119.205 7.943 -21.129 1.00 0.00 N
12
+ ATOM 11 CA MET A 3 118.272 7.526 -20.085 1.00 0.00 C
13
+ ATOM 12 C MET A 3 118.525 8.296 -18.792 1.00 0.00 C
14
+ ATOM 13 CB MET A 3 118.386 6.022 -19.830 1.00 0.00 C
15
+ ATOM 14 O MET A 3 119.626 8.247 -18.241 1.00 0.00 O
16
+ ATOM 15 CG MET A 3 117.681 5.169 -20.872 1.00 0.00 C
17
+ ATOM 16 SD MET A 3 116.712 3.803 -20.121 1.00 0.00 S
18
+ ATOM 17 CE MET A 3 118.040 2.612 -19.793 1.00 0.00 C
19
+ ATOM 18 N GLY A 4 118.407 9.700 -18.740 1.00 0.00 N
20
+ ATOM 19 CA GLY A 4 118.403 10.596 -17.594 1.00 0.00 C
21
+ ATOM 20 C GLY A 4 117.983 9.913 -16.306 1.00 0.00 C
22
+ ATOM 21 O GLY A 4 117.368 8.844 -16.335 1.00 0.00 O
23
+ ATOM 22 N LYS A 5 118.952 9.848 -15.339 1.00 0.00 N
24
+ ATOM 23 CA LYS A 5 118.590 9.389 -14.001 1.00 0.00 C
25
+ ATOM 24 C LYS A 5 117.075 9.388 -13.812 1.00 0.00 C
26
+ ATOM 25 CB LYS A 5 119.250 10.265 -12.936 1.00 0.00 C
27
+ ATOM 26 O LYS A 5 116.384 10.286 -14.294 1.00 0.00 O
28
+ ATOM 27 CG LYS A 5 120.721 9.954 -12.701 1.00 0.00 C
29
+ ATOM 28 CD LYS A 5 121.283 10.753 -11.534 1.00 0.00 C
30
+ ATOM 29 CE LYS A 5 122.761 10.460 -11.314 1.00 0.00 C
31
+ ATOM 30 NZ LYS A 5 123.313 11.233 -10.161 1.00 0.00 N
32
+ ATOM 31 N PRO A 6 116.414 8.215 -13.677 1.00 0.00 N
33
+ ATOM 32 CA PRO A 6 115.004 8.356 -13.311 1.00 0.00 C
34
+ ATOM 33 C PRO A 6 114.743 9.574 -12.428 1.00 0.00 C
35
+ ATOM 34 CB PRO A 6 114.704 7.059 -12.555 1.00 0.00 C
36
+ ATOM 35 O PRO A 6 115.589 9.941 -11.608 1.00 0.00 O
37
+ ATOM 36 CG PRO A 6 116.023 6.365 -12.451 1.00 0.00 C
38
+ ATOM 37 CD PRO A 6 117.044 7.162 -13.212 1.00 0.00 C
39
+ ATOM 38 N PHE A 7 113.912 10.513 -12.928 1.00 0.00 N
40
+ ATOM 39 CA PHE A 7 113.458 11.636 -12.116 1.00 0.00 C
41
+ ATOM 40 C PHE A 7 113.063 11.171 -10.720 1.00 0.00 C
42
+ ATOM 41 CB PHE A 7 112.277 12.343 -12.789 1.00 0.00 C
43
+ ATOM 42 O PHE A 7 112.200 10.304 -10.570 1.00 0.00 O
44
+ ATOM 43 CG PHE A 7 112.685 13.366 -13.814 1.00 0.00 C
45
+ ATOM 44 CD1 PHE A 7 113.106 14.632 -13.424 1.00 0.00 C
46
+ ATOM 45 CD2 PHE A 7 112.647 13.062 -15.169 1.00 0.00 C
47
+ ATOM 46 CE1 PHE A 7 113.485 15.580 -14.372 1.00 0.00 C
48
+ ATOM 47 CE2 PHE A 7 113.024 14.005 -16.121 1.00 0.00 C
49
+ ATOM 48 CZ PHE A 7 113.441 15.263 -15.720 1.00 0.00 C
50
+ ATOM 49 N PHE A 8 114.064 11.309 -9.773 1.00 0.00 N
51
+ ATOM 50 CA PHE A 8 113.673 11.156 -8.377 1.00 0.00 C
52
+ ATOM 51 C PHE A 8 112.431 11.985 -8.068 1.00 0.00 C
53
+ ATOM 52 CB PHE A 8 114.821 11.565 -7.448 1.00 0.00 C
54
+ ATOM 53 O PHE A 8 112.246 13.066 -8.628 1.00 0.00 O
55
+ ATOM 54 CG PHE A 8 114.464 11.523 -5.986 1.00 0.00 C
56
+ ATOM 55 CD1 PHE A 8 114.484 10.323 -5.286 1.00 0.00 C
57
+ ATOM 56 CD2 PHE A 8 114.108 12.684 -5.314 1.00 0.00 C
58
+ ATOM 57 CE1 PHE A 8 114.153 10.281 -3.934 1.00 0.00 C
59
+ ATOM 58 CE2 PHE A 8 113.776 12.651 -3.961 1.00 0.00 C
60
+ ATOM 59 CZ PHE A 8 113.798 11.448 -3.274 1.00 0.00 C
61
+ ATOM 60 N THR A 9 111.586 11.335 -7.308 1.00 0.00 N
62
+ ATOM 61 CA THR A 9 110.413 12.033 -6.791 1.00 0.00 C
63
+ ATOM 62 C THR A 9 110.194 11.702 -5.318 1.00 0.00 C
64
+ ATOM 63 CB THR A 9 109.151 11.671 -7.595 1.00 0.00 C
65
+ ATOM 64 O THR A 9 110.543 10.612 -4.861 1.00 0.00 O
66
+ ATOM 65 CG2 THR A 9 108.883 10.170 -7.555 1.00 0.00 C
67
+ ATOM 66 OG1 THR A 9 108.024 12.360 -7.039 1.00 0.00 O
68
+ ATOM 67 N ARG A 10 109.700 12.716 -4.573 1.00 0.00 N
69
+ ATOM 68 CA ARG A 10 109.276 12.479 -3.197 1.00 0.00 C
70
+ ATOM 69 C ARG A 10 107.786 12.163 -3.130 1.00 0.00 C
71
+ ATOM 70 CB ARG A 10 109.594 13.692 -2.320 1.00 0.00 C
72
+ ATOM 71 O ARG A 10 107.242 11.937 -2.046 1.00 0.00 O
73
+ ATOM 72 CG ARG A 10 111.082 13.974 -2.175 1.00 0.00 C
74
+ ATOM 73 CD ARG A 10 111.343 15.157 -1.252 1.00 0.00 C
75
+ ATOM 74 NE ARG A 10 112.774 15.392 -1.071 1.00 0.00 N
76
+ ATOM 75 NH1 ARG A 10 112.522 17.499 -0.160 1.00 0.00 N
77
+ ATOM 76 NH2 ARG A 10 114.615 16.608 -0.436 1.00 0.00 N
78
+ ATOM 77 CZ ARG A 10 113.300 16.499 -0.556 1.00 0.00 C
79
+ ATOM 78 N ASN A 11 107.204 12.260 -4.278 1.00 0.00 N
80
+ ATOM 79 CA ASN A 11 105.766 12.030 -4.357 1.00 0.00 C
81
+ ATOM 80 C ASN A 11 105.450 10.626 -4.863 1.00 0.00 C
82
+ ATOM 81 CB ASN A 11 105.103 13.078 -5.253 1.00 0.00 C
83
+ ATOM 82 O ASN A 11 105.636 10.330 -6.044 1.00 0.00 O
84
+ ATOM 83 CG ASN A 11 103.590 13.027 -5.190 1.00 0.00 C
85
+ ATOM 84 ND2 ASN A 11 102.938 14.043 -5.746 1.00 0.00 N
86
+ ATOM 85 OD1 ASN A 11 103.010 12.083 -4.647 1.00 0.00 O
87
+ ATOM 86 N PRO A 12 104.954 9.710 -4.028 1.00 0.00 N
88
+ ATOM 87 CA PRO A 12 104.663 8.334 -4.437 1.00 0.00 C
89
+ ATOM 88 C PRO A 12 103.727 8.261 -5.640 1.00 0.00 C
90
+ ATOM 89 CB PRO A 12 104.004 7.728 -3.195 1.00 0.00 C
91
+ ATOM 90 O PRO A 12 103.806 7.319 -6.433 1.00 0.00 O
92
+ ATOM 91 CG PRO A 12 104.487 8.570 -2.058 1.00 0.00 C
93
+ ATOM 92 CD PRO A 12 104.726 9.963 -2.564 1.00 0.00 C
94
+ ATOM 93 N SER A 13 102.843 9.270 -5.800 1.00 0.00 N
95
+ ATOM 94 CA SER A 13 101.858 9.221 -6.876 1.00 0.00 C
96
+ ATOM 95 C SER A 13 102.524 9.362 -8.241 1.00 0.00 C
97
+ ATOM 96 CB SER A 13 100.810 10.320 -6.695 1.00 0.00 C
98
+ ATOM 97 O SER A 13 101.919 9.043 -9.268 1.00 0.00 O
99
+ ATOM 98 OG SER A 13 101.383 11.600 -6.903 1.00 0.00 O
100
+ ATOM 99 N GLU A 14 103.717 9.805 -8.260 1.00 0.00 N
101
+ ATOM 100 CA GLU A 14 104.437 10.015 -9.512 1.00 0.00 C
102
+ ATOM 101 C GLU A 14 105.214 8.767 -9.918 1.00 0.00 C
103
+ ATOM 102 CB GLU A 14 105.386 11.211 -9.390 1.00 0.00 C
104
+ ATOM 103 O GLU A 14 105.815 8.727 -10.993 1.00 0.00 O
105
+ ATOM 104 CG GLU A 14 104.675 12.550 -9.261 1.00 0.00 C
106
+ ATOM 105 CD GLU A 14 105.629 13.720 -9.072 1.00 0.00 C
107
+ ATOM 106 OE1 GLU A 14 106.862 13.500 -9.044 1.00 0.00 O
108
+ ATOM 107 OE2 GLU A 14 105.140 14.864 -8.949 1.00 0.00 O
109
+ ATOM 108 N LEU A 15 105.284 7.774 -9.061 1.00 0.00 N
110
+ ATOM 109 CA LEU A 15 105.964 6.527 -9.393 1.00 0.00 C
111
+ ATOM 110 C LEU A 15 105.155 5.718 -10.401 1.00 0.00 C
112
+ ATOM 111 CB LEU A 15 106.206 5.696 -8.131 1.00 0.00 C
113
+ ATOM 112 O LEU A 15 103.927 5.651 -10.307 1.00 0.00 O
114
+ ATOM 113 CG LEU A 15 107.122 6.317 -7.075 1.00 0.00 C
115
+ ATOM 114 CD1 LEU A 15 107.141 5.456 -5.816 1.00 0.00 C
116
+ ATOM 115 CD2 LEU A 15 108.533 6.493 -7.629 1.00 0.00 C
117
+ ATOM 116 N LYS A 16 105.652 5.213 -11.493 1.00 0.00 N
118
+ ATOM 117 CA LYS A 16 104.971 4.505 -12.572 1.00 0.00 C
119
+ ATOM 118 C LYS A 16 105.130 2.995 -12.426 1.00 0.00 C
120
+ ATOM 119 CB LYS A 16 105.502 4.959 -13.932 1.00 0.00 C
121
+ ATOM 120 O LYS A 16 104.678 2.231 -13.281 1.00 0.00 O
122
+ ATOM 121 CG LYS A 16 105.364 6.454 -14.183 1.00 0.00 C
123
+ ATOM 122 CD LYS A 16 103.903 6.870 -14.291 1.00 0.00 C
124
+ ATOM 123 CE LYS A 16 103.765 8.355 -14.601 1.00 0.00 C
125
+ ATOM 124 NZ LYS A 16 102.364 8.833 -14.410 1.00 0.00 N
126
+ ATOM 125 N GLY A 17 105.490 2.453 -11.323 1.00 0.00 N
127
+ ATOM 126 CA GLY A 17 105.687 1.026 -11.122 1.00 0.00 C
128
+ ATOM 127 C GLY A 17 104.513 0.352 -10.438 1.00 0.00 C
129
+ ATOM 128 O GLY A 17 103.496 0.992 -10.165 1.00 0.00 O
130
+ ATOM 129 N LYS A 18 104.639 -0.987 -10.305 1.00 0.00 N
131
+ ATOM 130 CA LYS A 18 103.652 -1.783 -9.582 1.00 0.00 C
132
+ ATOM 131 C LYS A 18 103.870 -1.694 -8.075 1.00 0.00 C
133
+ ATOM 132 CB LYS A 18 103.704 -3.244 -10.035 1.00 0.00 C
134
+ ATOM 133 O LYS A 18 104.974 -1.942 -7.586 1.00 0.00 O
135
+ ATOM 134 CG LYS A 18 102.674 -4.137 -9.361 1.00 0.00 C
136
+ ATOM 135 CD LYS A 18 102.841 -5.594 -9.775 1.00 0.00 C
137
+ ATOM 136 CE LYS A 18 101.855 -6.499 -9.049 1.00 0.00 C
138
+ ATOM 137 NZ LYS A 18 102.005 -7.927 -9.464 1.00 0.00 N
139
+ ATOM 138 N PHE A 19 102.826 -1.293 -7.346 1.00 0.00 N
140
+ ATOM 139 CA PHE A 19 102.943 -1.193 -5.896 1.00 0.00 C
141
+ ATOM 140 C PHE A 19 102.701 -2.547 -5.239 1.00 0.00 C
142
+ ATOM 141 CB PHE A 19 101.956 -0.159 -5.345 1.00 0.00 C
143
+ ATOM 142 O PHE A 19 101.771 -3.266 -5.610 1.00 0.00 O
144
+ ATOM 143 CG PHE A 19 102.392 1.267 -5.552 1.00 0.00 C
145
+ ATOM 144 CD1 PHE A 19 103.100 1.941 -4.566 1.00 0.00 C
146
+ ATOM 145 CD2 PHE A 19 102.092 1.931 -6.734 1.00 0.00 C
147
+ ATOM 146 CE1 PHE A 19 103.505 3.261 -4.755 1.00 0.00 C
148
+ ATOM 147 CE2 PHE A 19 102.493 3.250 -6.930 1.00 0.00 C
149
+ ATOM 148 CZ PHE A 19 103.198 3.913 -5.939 1.00 0.00 C
150
+ ATOM 149 N ILE A 20 103.526 -2.845 -4.343 1.00 0.00 N
151
+ ATOM 150 CA ILE A 20 103.482 -4.088 -3.582 1.00 0.00 C
152
+ ATOM 151 C ILE A 20 103.338 -3.777 -2.093 1.00 0.00 C
153
+ ATOM 152 CB ILE A 20 104.744 -4.946 -3.828 1.00 0.00 C
154
+ ATOM 153 O ILE A 20 104.063 -2.939 -1.554 1.00 0.00 O
155
+ ATOM 154 CG1 ILE A 20 104.944 -5.180 -5.330 1.00 0.00 C
156
+ ATOM 155 CG2 ILE A 20 104.647 -6.277 -3.076 1.00 0.00 C
157
+ ATOM 156 CD1 ILE A 20 106.401 -5.342 -5.743 1.00 0.00 C
158
+ ATOM 157 N HIS A 21 102.446 -4.445 -1.463 1.00 0.00 N
159
+ ATOM 158 CA HIS A 21 102.274 -4.349 -0.018 1.00 0.00 C
160
+ ATOM 159 C HIS A 21 102.659 -5.655 0.671 1.00 0.00 C
161
+ ATOM 160 CB HIS A 21 100.829 -3.981 0.327 1.00 0.00 C
162
+ ATOM 161 O HIS A 21 102.164 -6.724 0.306 1.00 0.00 O
163
+ ATOM 162 CG HIS A 21 100.449 -2.595 -0.087 1.00 0.00 C
164
+ ATOM 163 CD2 HIS A 21 100.026 -2.108 -1.277 1.00 0.00 C
165
+ ATOM 164 ND1 HIS A 21 100.486 -1.523 0.777 1.00 0.00 N
166
+ ATOM 165 CE1 HIS A 21 100.100 -0.434 0.136 1.00 0.00 C
167
+ ATOM 166 NE2 HIS A 21 99.816 -0.761 -1.113 1.00 0.00 N
168
+ ATOM 167 N THR A 22 103.479 -5.471 1.623 1.00 0.00 N
169
+ ATOM 168 CA THR A 22 103.849 -6.669 2.368 1.00 0.00 C
170
+ ATOM 169 C THR A 22 103.964 -6.365 3.859 1.00 0.00 C
171
+ ATOM 170 CB THR A 22 105.178 -7.256 1.857 1.00 0.00 C
172
+ ATOM 171 O THR A 22 104.195 -5.218 4.248 1.00 0.00 O
173
+ ATOM 172 CG2 THR A 22 106.307 -6.237 1.966 1.00 0.00 C
174
+ ATOM 173 OG1 THR A 22 105.514 -8.410 2.638 1.00 0.00 O
175
+ ATOM 174 N LYS A 23 103.770 -7.338 4.645 1.00 0.00 N
176
+ ATOM 175 CA LYS A 23 103.915 -7.297 6.098 1.00 0.00 C
177
+ ATOM 176 C LYS A 23 104.923 -8.338 6.578 1.00 0.00 C
178
+ ATOM 177 CB LYS A 23 102.564 -7.523 6.779 1.00 0.00 C
179
+ ATOM 178 O LYS A 23 104.743 -9.536 6.349 1.00 0.00 O
180
+ ATOM 179 CG LYS A 23 102.584 -7.294 8.283 1.00 0.00 C
181
+ ATOM 180 CD LYS A 23 101.190 -7.417 8.886 1.00 0.00 C
182
+ ATOM 181 CE LYS A 23 101.171 -6.988 10.347 1.00 0.00 C
183
+ ATOM 182 NZ LYS A 23 99.809 -7.116 10.944 1.00 0.00 N
184
+ ATOM 183 N LEU A 24 105.902 -7.842 7.238 1.00 0.00 N
185
+ ATOM 184 CA LEU A 24 106.967 -8.735 7.682 1.00 0.00 C
186
+ ATOM 185 C LEU A 24 107.092 -8.720 9.202 1.00 0.00 C
187
+ ATOM 186 CB LEU A 24 108.300 -8.336 7.044 1.00 0.00 C
188
+ ATOM 187 O LEU A 24 107.046 -7.655 9.822 1.00 0.00 O
189
+ ATOM 188 CG LEU A 24 108.334 -8.287 5.516 1.00 0.00 C
190
+ ATOM 189 CD1 LEU A 24 109.689 -7.780 5.032 1.00 0.00 C
191
+ ATOM 190 CD2 LEU A 24 108.033 -9.663 4.930 1.00 0.00 C
192
+ ATOM 191 N ARG A 25 107.266 -9.847 9.731 1.00 0.00 N
193
+ ATOM 192 CA ARG A 25 107.583 -9.959 11.151 1.00 0.00 C
194
+ ATOM 193 C ARG A 25 109.089 -10.034 11.372 1.00 0.00 C
195
+ ATOM 194 CB ARG A 25 106.901 -11.186 11.760 1.00 0.00 C
196
+ ATOM 195 O ARG A 25 109.775 -10.841 10.741 1.00 0.00 O
197
+ ATOM 196 CG ARG A 25 106.907 -11.203 13.281 1.00 0.00 C
198
+ ATOM 197 CD ARG A 25 106.094 -12.365 13.835 1.00 0.00 C
199
+ ATOM 198 NE ARG A 25 104.681 -12.021 13.963 1.00 0.00 N
200
+ ATOM 199 NH1 ARG A 25 104.869 -11.171 16.103 1.00 0.00 N
201
+ ATOM 200 NH2 ARG A 25 102.834 -11.190 15.048 1.00 0.00 N
202
+ ATOM 201 CZ ARG A 25 104.131 -11.462 15.038 1.00 0.00 C
203
+ ATOM 202 N LYS A 26 109.519 -9.207 12.268 1.00 0.00 N
204
+ ATOM 203 CA LYS A 26 110.953 -9.147 12.537 1.00 0.00 C
205
+ ATOM 204 C LYS A 26 111.420 -10.381 13.305 1.00 0.00 C
206
+ ATOM 205 CB LYS A 26 111.301 -7.881 13.320 1.00 0.00 C
207
+ ATOM 206 O LYS A 26 110.892 -10.691 14.374 1.00 0.00 O
208
+ ATOM 207 CG LYS A 26 112.783 -7.538 13.316 1.00 0.00 C
209
+ ATOM 208 CD LYS A 26 113.042 -6.172 13.937 1.00 0.00 C
210
+ ATOM 209 CE LYS A 26 114.511 -5.779 13.836 1.00 0.00 C
211
+ ATOM 210 NZ LYS A 26 114.773 -4.448 14.459 1.00 0.00 N
212
+ ATOM 211 N SER A 27 112.344 -11.077 12.773 1.00 0.00 N
213
+ ATOM 212 CA SER A 27 112.963 -12.198 13.472 1.00 0.00 C
214
+ ATOM 213 C SER A 27 114.151 -11.739 14.311 1.00 0.00 C
215
+ ATOM 214 CB SER A 27 113.414 -13.268 12.477 1.00 0.00 C
216
+ ATOM 215 O SER A 27 114.498 -10.556 14.310 1.00 0.00 O
217
+ ATOM 216 OG SER A 27 114.589 -12.860 11.798 1.00 0.00 O
218
+ ATOM 217 N SER A 28 114.735 -12.689 14.983 1.00 0.00 N
219
+ ATOM 218 CA SER A 28 115.940 -12.367 15.741 1.00 0.00 C
220
+ ATOM 219 C SER A 28 117.074 -11.931 14.818 1.00 0.00 C
221
+ ATOM 220 CB SER A 28 116.385 -13.568 16.575 1.00 0.00 C
222
+ ATOM 221 O SER A 28 118.004 -11.248 15.249 1.00 0.00 O
223
+ ATOM 222 OG SER A 28 116.647 -14.688 15.747 1.00 0.00 O
224
+ ATOM 223 N ARG A 29 116.939 -12.299 13.542 1.00 0.00 N
225
+ ATOM 224 CA ARG A 29 117.990 -11.962 12.586 1.00 0.00 C
226
+ ATOM 225 C ARG A 29 117.564 -10.802 11.692 1.00 0.00 C
227
+ ATOM 226 CB ARG A 29 118.351 -13.178 11.731 1.00 0.00 C
228
+ ATOM 227 O ARG A 29 118.232 -10.498 10.701 1.00 0.00 O
229
+ ATOM 228 CG ARG A 29 118.964 -14.325 12.520 1.00 0.00 C
230
+ ATOM 229 CD ARG A 29 119.486 -15.423 11.604 1.00 0.00 C
231
+ ATOM 230 NE ARG A 29 118.397 -16.163 10.973 1.00 0.00 N
232
+ ATOM 231 NH1 ARG A 29 119.773 -17.645 9.858 1.00 0.00 N
233
+ ATOM 232 NH2 ARG A 29 117.496 -17.801 9.639 1.00 0.00 N
234
+ ATOM 233 CZ ARG A 29 118.557 -17.201 10.157 1.00 0.00 C
235
+ ATOM 234 N GLY A 30 116.444 -10.192 12.011 1.00 0.00 N
236
+ ATOM 235 CA GLY A 30 115.952 -9.052 11.256 1.00 0.00 C
237
+ ATOM 236 C GLY A 30 114.849 -9.413 10.279 1.00 0.00 C
238
+ ATOM 237 O GLY A 30 114.220 -10.465 10.407 1.00 0.00 O
239
+ ATOM 238 N PHE A 31 114.635 -8.653 9.206 1.00 0.00 N
240
+ ATOM 239 CA PHE A 31 113.543 -8.815 8.252 1.00 0.00 C
241
+ ATOM 240 C PHE A 31 113.983 -9.663 7.065 1.00 0.00 C
242
+ ATOM 241 CB PHE A 31 113.046 -7.450 7.767 1.00 0.00 C
243
+ ATOM 242 O PHE A 31 113.153 -10.089 6.259 1.00 0.00 O
244
+ ATOM 243 CG PHE A 31 112.322 -6.657 8.822 1.00 0.00 C
245
+ ATOM 244 CD1 PHE A 31 111.004 -6.951 9.150 1.00 0.00 C
246
+ ATOM 245 CD2 PHE A 31 112.960 -5.618 9.486 1.00 0.00 C
247
+ ATOM 246 CE1 PHE A 31 110.332 -6.220 10.126 1.00 0.00 C
248
+ ATOM 247 CE2 PHE A 31 112.294 -4.882 10.463 1.00 0.00 C
249
+ ATOM 248 CZ PHE A 31 110.980 -5.184 10.780 1.00 0.00 C
250
+ ATOM 249 N GLY A 32 115.366 -9.808 6.891 1.00 0.00 N
251
+ ATOM 250 CA GLY A 32 115.882 -10.752 5.912 1.00 0.00 C
252
+ ATOM 251 C GLY A 32 116.080 -10.139 4.539 1.00 0.00 C
253
+ ATOM 252 O GLY A 32 115.832 -10.789 3.521 1.00 0.00 O
254
+ ATOM 253 N PHE A 33 116.487 -8.847 4.405 1.00 0.00 N
255
+ ATOM 254 CA PHE A 33 116.844 -8.244 3.126 1.00 0.00 C
256
+ ATOM 255 C PHE A 33 117.869 -7.133 3.318 1.00 0.00 C
257
+ ATOM 256 CB PHE A 33 115.598 -7.693 2.426 1.00 0.00 C
258
+ ATOM 257 O PHE A 33 118.069 -6.652 4.435 1.00 0.00 O
259
+ ATOM 258 CG PHE A 33 114.854 -6.662 3.230 1.00 0.00 C
260
+ ATOM 259 CD1 PHE A 33 113.817 -7.034 4.075 1.00 0.00 C
261
+ ATOM 260 CD2 PHE A 33 115.194 -5.318 3.141 1.00 0.00 C
262
+ ATOM 261 CE1 PHE A 33 113.127 -6.082 4.822 1.00 0.00 C
263
+ ATOM 262 CE2 PHE A 33 114.509 -4.359 3.885 1.00 0.00 C
264
+ ATOM 263 CZ PHE A 33 113.476 -4.743 4.724 1.00 0.00 C
265
+ ATOM 264 N THR A 34 118.545 -6.792 2.275 1.00 0.00 N
266
+ ATOM 265 CA THR A 34 119.493 -5.684 2.278 1.00 0.00 C
267
+ ATOM 266 C THR A 34 119.017 -4.561 1.362 1.00 0.00 C
268
+ ATOM 267 CB THR A 34 120.895 -6.148 1.841 1.00 0.00 C
269
+ ATOM 268 O THR A 34 118.261 -4.801 0.418 1.00 0.00 O
270
+ ATOM 269 CG2 THR A 34 121.423 -7.245 2.758 1.00 0.00 C
271
+ ATOM 270 OG1 THR A 34 120.828 -6.650 0.500 1.00 0.00 O
272
+ ATOM 271 N VAL A 35 119.445 -3.360 1.681 1.00 0.00 N
273
+ ATOM 272 CA VAL A 35 119.019 -2.216 0.881 1.00 0.00 C
274
+ ATOM 273 C VAL A 35 120.241 -1.485 0.330 1.00 0.00 C
275
+ ATOM 274 CB VAL A 35 118.141 -1.245 1.702 1.00 0.00 C
276
+ ATOM 275 O VAL A 35 121.329 -1.561 0.907 1.00 0.00 O
277
+ ATOM 276 CG1 VAL A 35 116.850 -1.929 2.147 1.00 0.00 C
278
+ ATOM 277 CG2 VAL A 35 118.914 -0.718 2.908 1.00 0.00 C
279
+ ATOM 278 N VAL A 36 120.004 -0.815 -0.733 1.00 0.00 N
280
+ ATOM 279 CA VAL A 36 121.040 -0.021 -1.386 1.00 0.00 C
281
+ ATOM 280 C VAL A 36 120.460 1.318 -1.835 1.00 0.00 C
282
+ ATOM 281 CB VAL A 36 121.652 -0.769 -2.592 1.00 0.00 C
283
+ ATOM 282 O VAL A 36 119.255 1.429 -2.076 1.00 0.00 O
284
+ ATOM 283 CG1 VAL A 36 120.603 -0.986 -3.680 1.00 0.00 C
285
+ ATOM 284 CG2 VAL A 36 122.850 0.001 -3.144 1.00 0.00 C
286
+ ATOM 285 N GLY A 37 121.356 2.332 -1.882 1.00 0.00 N
287
+ ATOM 286 CA GLY A 37 120.940 3.668 -2.277 1.00 0.00 C
288
+ ATOM 287 C GLY A 37 120.619 4.566 -1.096 1.00 0.00 C
289
+ ATOM 288 O GLY A 37 120.749 4.153 0.058 1.00 0.00 O
290
+ ATOM 289 N GLY A 38 120.262 5.807 -1.390 1.00 0.00 N
291
+ ATOM 290 CA GLY A 38 119.815 6.759 -0.385 1.00 0.00 C
292
+ ATOM 291 C GLY A 38 120.957 7.478 0.307 1.00 0.00 C
293
+ ATOM 292 O GLY A 38 120.824 7.907 1.454 1.00 0.00 O
294
+ ATOM 293 N ASP A 39 122.139 7.488 -0.253 1.00 0.00 N
295
+ ATOM 294 CA ASP A 39 123.242 8.272 0.295 1.00 0.00 C
296
+ ATOM 295 C ASP A 39 122.910 9.762 0.294 1.00 0.00 C
297
+ ATOM 296 CB ASP A 39 124.528 8.018 -0.497 1.00 0.00 C
298
+ ATOM 297 O ASP A 39 123.372 10.506 1.162 1.00 0.00 O
299
+ ATOM 298 CG ASP A 39 124.992 6.575 -0.426 1.00 0.00 C
300
+ ATOM 299 OD1 ASP A 39 124.920 5.963 0.662 1.00 0.00 O
301
+ ATOM 300 OD2 ASP A 39 125.437 6.044 -1.467 1.00 0.00 O
302
+ ATOM 301 N GLU A 40 122.093 10.077 -0.655 1.00 0.00 N
303
+ ATOM 302 CA GLU A 40 121.562 11.435 -0.719 1.00 0.00 C
304
+ ATOM 303 C GLU A 40 120.035 11.431 -0.692 1.00 0.00 C
305
+ ATOM 304 CB GLU A 40 122.064 12.151 -1.975 1.00 0.00 C
306
+ ATOM 305 O GLU A 40 119.404 10.457 -1.106 1.00 0.00 O
307
+ ATOM 306 CG GLU A 40 123.581 12.191 -2.095 1.00 0.00 C
308
+ ATOM 307 CD GLU A 40 124.238 13.107 -1.076 1.00 0.00 C
309
+ ATOM 308 OE1 GLU A 40 123.583 14.065 -0.610 1.00 0.00 O
310
+ ATOM 309 OE2 GLU A 40 125.420 12.864 -0.742 1.00 0.00 O
311
+ ATOM 310 N PRO A 41 119.424 12.424 -0.182 1.00 0.00 N
312
+ ATOM 311 CA PRO A 41 117.965 12.408 -0.051 1.00 0.00 C
313
+ ATOM 312 C PRO A 41 117.252 12.298 -1.396 1.00 0.00 C
314
+ ATOM 313 CB PRO A 41 117.657 13.750 0.621 1.00 0.00 C
315
+ ATOM 314 O PRO A 41 116.076 11.932 -1.448 1.00 0.00 O
316
+ ATOM 315 CG PRO A 41 118.892 14.568 0.423 1.00 0.00 C
317
+ ATOM 316 CD PRO A 41 120.055 13.638 0.231 1.00 0.00 C
318
+ ATOM 317 N ASP A 42 117.956 12.508 -2.544 1.00 0.00 N
319
+ ATOM 318 CA ASP A 42 117.303 12.404 -3.845 1.00 0.00 C
320
+ ATOM 319 C ASP A 42 117.671 11.095 -4.540 1.00 0.00 C
321
+ ATOM 320 CB ASP A 42 117.678 13.592 -4.731 1.00 0.00 C
322
+ ATOM 321 O ASP A 42 117.858 11.064 -5.759 1.00 0.00 O
323
+ ATOM 322 CG ASP A 42 119.177 13.746 -4.916 1.00 0.00 C
324
+ ATOM 323 OD1 ASP A 42 119.952 13.147 -4.140 1.00 0.00 O
325
+ ATOM 324 OD2 ASP A 42 119.587 14.475 -5.845 1.00 0.00 O
326
+ ATOM 325 N GLU A 43 117.778 10.130 -3.761 1.00 0.00 N
327
+ ATOM 326 CA GLU A 43 117.973 8.780 -4.280 1.00 0.00 C
328
+ ATOM 327 C GLU A 43 116.940 7.814 -3.708 1.00 0.00 C
329
+ ATOM 328 CB GLU A 43 119.387 8.283 -3.965 1.00 0.00 C
330
+ ATOM 329 O GLU A 43 116.497 7.973 -2.568 1.00 0.00 O
331
+ ATOM 330 CG GLU A 43 120.475 8.967 -4.781 1.00 0.00 C
332
+ ATOM 331 CD GLU A 43 121.870 8.441 -4.482 1.00 0.00 C
333
+ ATOM 332 OE1 GLU A 43 122.028 7.653 -3.522 1.00 0.00 O
334
+ ATOM 333 OE2 GLU A 43 122.812 8.820 -5.213 1.00 0.00 O
335
+ ATOM 334 N PHE A 44 116.589 6.888 -4.552 1.00 0.00 N
336
+ ATOM 335 CA PHE A 44 115.698 5.838 -4.074 1.00 0.00 C
337
+ ATOM 336 C PHE A 44 116.457 4.830 -3.219 1.00 0.00 C
338
+ ATOM 337 CB PHE A 44 115.024 5.125 -5.251 1.00 0.00 C
339
+ ATOM 338 O PHE A 44 117.628 4.546 -3.479 1.00 0.00 O
340
+ ATOM 339 CG PHE A 44 114.046 5.987 -6.002 1.00 0.00 C
341
+ ATOM 340 CD1 PHE A 44 112.893 6.456 -5.385 1.00 0.00 C
342
+ ATOM 341 CD2 PHE A 44 114.279 6.327 -7.329 1.00 0.00 C
343
+ ATOM 342 CE1 PHE A 44 111.986 7.254 -6.078 1.00 0.00 C
344
+ ATOM 343 CE2 PHE A 44 113.377 7.123 -8.028 1.00 0.00 C
345
+ ATOM 344 CZ PHE A 44 112.231 7.585 -7.402 1.00 0.00 C
346
+ ATOM 345 N LEU A 45 115.822 4.454 -2.208 1.00 0.00 N
347
+ ATOM 346 CA LEU A 45 116.275 3.268 -1.487 1.00 0.00 C
348
+ ATOM 347 C LEU A 45 115.658 2.005 -2.079 1.00 0.00 C
349
+ ATOM 348 CB LEU A 45 115.922 3.375 -0.002 1.00 0.00 C
350
+ ATOM 349 O LEU A 45 114.437 1.913 -2.220 1.00 0.00 O
351
+ ATOM 350 CG LEU A 45 116.683 2.446 0.945 1.00 0.00 C
352
+ ATOM 351 CD1 LEU A 45 118.110 2.946 1.144 1.00 0.00 C
353
+ ATOM 352 CD2 LEU A 45 115.959 2.335 2.282 1.00 0.00 C
354
+ ATOM 353 N GLN A 46 116.463 0.968 -2.448 1.00 0.00 N
355
+ ATOM 354 CA GLN A 46 115.983 -0.230 -3.131 1.00 0.00 C
356
+ ATOM 355 C GLN A 46 116.396 -1.494 -2.382 1.00 0.00 C
357
+ ATOM 356 CB GLN A 46 116.505 -0.275 -4.568 1.00 0.00 C
358
+ ATOM 357 O GLN A 46 117.418 -1.507 -1.693 1.00 0.00 O
359
+ ATOM 358 CG GLN A 46 115.975 0.846 -5.451 1.00 0.00 C
360
+ ATOM 359 CD GLN A 46 116.541 0.801 -6.858 1.00 0.00 C
361
+ ATOM 360 NE2 GLN A 46 116.610 1.959 -7.507 1.00 0.00 N
362
+ ATOM 361 OE1 GLN A 46 116.912 -0.265 -7.358 1.00 0.00 O
363
+ ATOM 362 N ILE A 47 115.674 -2.501 -2.692 1.00 0.00 N
364
+ ATOM 363 CA ILE A 47 116.028 -3.832 -2.210 1.00 0.00 C
365
+ ATOM 364 C ILE A 47 117.197 -4.382 -3.025 1.00 0.00 C
366
+ ATOM 365 CB ILE A 47 114.824 -4.797 -2.280 1.00 0.00 C
367
+ ATOM 366 O ILE A 47 117.117 -4.472 -4.252 1.00 0.00 O
368
+ ATOM 367 CG1 ILE A 47 113.599 -4.173 -1.602 1.00 0.00 C
369
+ ATOM 368 CG2 ILE A 47 115.175 -6.145 -1.643 1.00 0.00 C
370
+ ATOM 369 CD1 ILE A 47 113.817 -3.811 -0.140 1.00 0.00 C
371
+ ATOM 370 N LYS A 48 118.291 -4.784 -2.334 1.00 0.00 N
372
+ ATOM 371 CA LYS A 48 119.462 -5.312 -3.026 1.00 0.00 C
373
+ ATOM 372 C LYS A 48 119.428 -6.837 -3.079 1.00 0.00 C
374
+ ATOM 373 CB LYS A 48 120.748 -4.840 -2.343 1.00 0.00 C
375
+ ATOM 374 O LYS A 48 119.728 -7.434 -4.115 1.00 0.00 O
376
+ ATOM 375 CG LYS A 48 122.019 -5.391 -2.969 1.00 0.00 C
377
+ ATOM 376 CD LYS A 48 123.263 -4.763 -2.355 1.00 0.00 C
378
+ ATOM 377 CE LYS A 48 124.537 -5.295 -2.998 1.00 0.00 C
379
+ ATOM 378 NZ LYS A 48 125.754 -4.616 -2.463 1.00 0.00 N
380
+ ATOM 379 N SER A 49 119.110 -7.371 -2.015 1.00 0.00 N
381
+ ATOM 380 CA SER A 49 119.066 -8.828 -1.951 1.00 0.00 C
382
+ ATOM 381 C SER A 49 118.159 -9.305 -0.821 1.00 0.00 C
383
+ ATOM 382 CB SER A 49 120.471 -9.401 -1.765 1.00 0.00 C
384
+ ATOM 383 O SER A 49 117.836 -8.537 0.087 1.00 0.00 O
385
+ ATOM 384 OG SER A 49 120.974 -9.090 -0.476 1.00 0.00 O
386
+ ATOM 385 N LEU A 50 117.764 -10.510 -0.979 1.00 0.00 N
387
+ ATOM 386 CA LEU A 50 116.988 -11.196 0.048 1.00 0.00 C
388
+ ATOM 387 C LEU A 50 117.800 -12.317 0.687 1.00 0.00 C
389
+ ATOM 388 CB LEU A 50 115.695 -11.762 -0.546 1.00 0.00 C
390
+ ATOM 389 O LEU A 50 118.486 -13.068 -0.011 1.00 0.00 O
391
+ ATOM 390 CG LEU A 50 114.780 -10.763 -1.255 1.00 0.00 C
392
+ ATOM 391 CD1 LEU A 50 113.572 -11.479 -1.849 1.00 0.00 C
393
+ ATOM 392 CD2 LEU A 50 114.338 -9.665 -0.292 1.00 0.00 C
394
+ ATOM 393 N VAL A 51 117.785 -12.362 1.957 1.00 0.00 N
395
+ ATOM 394 CA VAL A 51 118.434 -13.457 2.671 1.00 0.00 C
396
+ ATOM 395 C VAL A 51 117.604 -14.730 2.530 1.00 0.00 C
397
+ ATOM 396 CB VAL A 51 118.640 -13.117 4.165 1.00 0.00 C
398
+ ATOM 397 O VAL A 51 116.396 -14.722 2.779 1.00 0.00 O
399
+ ATOM 398 CG1 VAL A 51 119.237 -14.309 4.911 1.00 0.00 C
400
+ ATOM 399 CG2 VAL A 51 119.532 -11.886 4.313 1.00 0.00 C
401
+ ATOM 400 N LEU A 52 118.335 -15.748 2.216 1.00 0.00 N
402
+ ATOM 401 CA LEU A 52 117.656 -17.031 2.066 1.00 0.00 C
403
+ ATOM 402 C LEU A 52 116.954 -17.429 3.360 1.00 0.00 C
404
+ ATOM 403 CB LEU A 52 118.651 -18.119 1.656 1.00 0.00 C
405
+ ATOM 404 O LEU A 52 117.540 -17.337 4.442 1.00 0.00 O
406
+ ATOM 405 CG LEU A 52 118.055 -19.476 1.276 1.00 0.00 C
407
+ ATOM 406 CD1 LEU A 52 117.199 -19.345 0.021 1.00 0.00 C
408
+ ATOM 407 CD2 LEU A 52 119.159 -20.507 1.071 1.00 0.00 C
409
+ ATOM 408 N ASP A 53 115.665 -17.802 3.347 1.00 0.00 N
410
+ ATOM 409 CA ASP A 53 114.850 -18.303 4.450 1.00 0.00 C
411
+ ATOM 410 C ASP A 53 114.506 -17.184 5.430 1.00 0.00 C
412
+ ATOM 411 CB ASP A 53 115.572 -19.438 5.178 1.00 0.00 C
413
+ ATOM 412 O ASP A 53 113.959 -17.441 6.506 1.00 0.00 O
414
+ ATOM 413 CG ASP A 53 115.729 -20.685 4.326 1.00 0.00 C
415
+ ATOM 414 OD1 ASP A 53 114.819 -20.995 3.527 1.00 0.00 O
416
+ ATOM 415 OD2 ASP A 53 116.769 -21.366 4.457 1.00 0.00 O
417
+ ATOM 416 N GLY A 54 114.953 -15.957 5.166 1.00 0.00 N
418
+ ATOM 417 CA GLY A 54 114.528 -14.835 5.989 1.00 0.00 C
419
+ ATOM 418 C GLY A 54 113.063 -14.483 5.807 1.00 0.00 C
420
+ ATOM 419 O GLY A 54 112.423 -14.938 4.857 1.00 0.00 O
421
+ ATOM 420 N PRO A 55 112.478 -13.694 6.674 1.00 0.00 N
422
+ ATOM 421 CA PRO A 55 111.060 -13.335 6.589 1.00 0.00 C
423
+ ATOM 422 C PRO A 55 110.675 -12.768 5.225 1.00 0.00 C
424
+ ATOM 423 CB PRO A 55 110.898 -12.280 7.685 1.00 0.00 C
425
+ ATOM 424 O PRO A 55 109.637 -13.136 4.670 1.00 0.00 O
426
+ ATOM 425 CG PRO A 55 111.911 -12.644 8.722 1.00 0.00 C
427
+ ATOM 426 CD PRO A 55 113.148 -13.139 8.026 1.00 0.00 C
428
+ ATOM 427 N ALA A 56 111.491 -11.928 4.686 1.00 0.00 N
429
+ ATOM 428 CA ALA A 56 111.173 -11.331 3.391 1.00 0.00 C
430
+ ATOM 429 C ALA A 56 111.115 -12.392 2.297 1.00 0.00 C
431
+ ATOM 430 CB ALA A 56 112.199 -10.258 3.034 1.00 0.00 C
432
+ ATOM 431 O ALA A 56 110.208 -12.382 1.462 1.00 0.00 O
433
+ ATOM 432 N ALA A 57 112.168 -13.259 2.267 1.00 0.00 N
434
+ ATOM 433 CA ALA A 57 112.190 -14.331 1.276 1.00 0.00 C
435
+ ATOM 434 C ALA A 57 110.997 -15.266 1.453 1.00 0.00 C
436
+ ATOM 435 CB ALA A 57 113.496 -15.115 1.368 1.00 0.00 C
437
+ ATOM 436 O ALA A 57 110.365 -15.668 0.474 1.00 0.00 O
438
+ ATOM 437 N LEU A 58 110.607 -15.544 2.711 1.00 0.00 N
439
+ ATOM 438 CA LEU A 58 109.508 -16.459 2.996 1.00 0.00 C
440
+ ATOM 439 C LEU A 58 108.169 -15.832 2.621 1.00 0.00 C
441
+ ATOM 440 CB LEU A 58 109.505 -16.850 4.477 1.00 0.00 C
442
+ ATOM 441 O LEU A 58 107.244 -16.535 2.207 1.00 0.00 O
443
+ ATOM 442 CG LEU A 58 110.672 -17.716 4.951 1.00 0.00 C
444
+ ATOM 443 CD1 LEU A 58 110.587 -17.940 6.458 1.00 0.00 C
445
+ ATOM 444 CD2 LEU A 58 110.687 -19.048 4.208 1.00 0.00 C
446
+ ATOM 445 N ASP A 59 108.078 -14.596 2.744 1.00 0.00 N
447
+ ATOM 446 CA ASP A 59 106.863 -13.897 2.335 1.00 0.00 C
448
+ ATOM 447 C ASP A 59 106.677 -13.957 0.821 1.00 0.00 C
449
+ ATOM 448 CB ASP A 59 106.897 -12.441 2.805 1.00 0.00 C
450
+ ATOM 449 O ASP A 59 105.550 -14.054 0.332 1.00 0.00 O
451
+ ATOM 450 CG ASP A 59 105.667 -11.655 2.389 1.00 0.00 C
452
+ ATOM 451 OD1 ASP A 59 105.782 -10.747 1.537 1.00 0.00 O
453
+ ATOM 452 OD2 ASP A 59 104.572 -11.944 2.919 1.00 0.00 O
454
+ ATOM 453 N GLY A 60 107.747 -13.780 0.081 1.00 0.00 N
455
+ ATOM 454 CA GLY A 60 107.742 -14.057 -1.347 1.00 0.00 C
456
+ ATOM 455 C GLY A 60 107.270 -12.880 -2.181 1.00 0.00 C
457
+ ATOM 456 O GLY A 60 107.140 -12.991 -3.402 1.00 0.00 O
458
+ ATOM 457 N LYS A 61 106.994 -11.719 -1.635 1.00 0.00 N
459
+ ATOM 458 CA LYS A 61 106.414 -10.605 -2.378 1.00 0.00 C
460
+ ATOM 459 C LYS A 61 107.492 -9.615 -2.815 1.00 0.00 C
461
+ ATOM 460 CB LYS A 61 105.356 -9.890 -1.536 1.00 0.00 C
462
+ ATOM 461 O LYS A 61 107.348 -8.944 -3.839 1.00 0.00 O
463
+ ATOM 462 CG LYS A 61 104.103 -10.716 -1.287 1.00 0.00 C
464
+ ATOM 463 CD LYS A 61 103.047 -9.915 -0.536 1.00 0.00 C
465
+ ATOM 464 CE LYS A 61 101.814 -10.757 -0.237 1.00 0.00 C
466
+ ATOM 465 NZ LYS A 61 100.843 -10.028 0.632 1.00 0.00 N
467
+ ATOM 466 N MET A 62 108.537 -9.572 -2.113 1.00 0.00 N
468
+ ATOM 467 CA MET A 62 109.624 -8.626 -2.357 1.00 0.00 C
469
+ ATOM 468 C MET A 62 110.612 -9.184 -3.374 1.00 0.00 C
470
+ ATOM 469 CB MET A 62 110.347 -8.291 -1.052 1.00 0.00 C
471
+ ATOM 470 O MET A 62 110.888 -10.384 -3.385 1.00 0.00 O
472
+ ATOM 471 CG MET A 62 111.421 -7.225 -1.203 1.00 0.00 C
473
+ ATOM 472 SD MET A 62 112.302 -6.886 0.371 1.00 0.00 S
474
+ ATOM 473 CE MET A 62 110.949 -6.175 1.349 1.00 0.00 C
475
+ ATOM 474 N GLU A 63 111.152 -8.332 -4.210 1.00 0.00 N
476
+ ATOM 475 CA GLU A 63 112.160 -8.715 -5.194 1.00 0.00 C
477
+ ATOM 476 C GLU A 63 113.310 -7.714 -5.225 1.00 0.00 C
478
+ ATOM 477 CB GLU A 63 111.534 -8.840 -6.586 1.00 0.00 C
479
+ ATOM 478 O GLU A 63 113.134 -6.546 -4.870 1.00 0.00 O
480
+ ATOM 479 CG GLU A 63 110.531 -9.979 -6.708 1.00 0.00 C
481
+ ATOM 480 CD GLU A 63 109.924 -10.096 -8.098 1.00 0.00 C
482
+ ATOM 481 OE1 GLU A 63 110.425 -9.437 -9.036 1.00 0.00 O
483
+ ATOM 482 OE2 GLU A 63 108.938 -10.853 -8.247 1.00 0.00 O
484
+ ATOM 483 N THR A 64 114.425 -8.132 -5.729 1.00 0.00 N
485
+ ATOM 484 CA THR A 64 115.554 -7.238 -5.954 1.00 0.00 C
486
+ ATOM 485 C THR A 64 115.163 -6.098 -6.890 1.00 0.00 C
487
+ ATOM 486 CB THR A 64 116.759 -7.997 -6.543 1.00 0.00 C
488
+ ATOM 487 O THR A 64 114.527 -6.323 -7.920 1.00 0.00 O
489
+ ATOM 488 CG2 THR A 64 117.919 -7.050 -6.829 1.00 0.00 C
490
+ ATOM 489 OG1 THR A 64 117.190 -8.995 -5.609 1.00 0.00 O
491
+ ATOM 490 N GLY A 65 115.516 -4.897 -6.448 1.00 0.00 N
492
+ ATOM 491 CA GLY A 65 115.231 -3.739 -7.281 1.00 0.00 C
493
+ ATOM 492 C GLY A 65 113.994 -2.980 -6.842 1.00 0.00 C
494
+ ATOM 493 O GLY A 65 113.744 -1.866 -7.309 1.00 0.00 O
495
+ ATOM 494 N ASP A 66 113.194 -3.566 -5.971 1.00 0.00 N
496
+ ATOM 495 CA ASP A 66 112.029 -2.853 -5.454 1.00 0.00 C
497
+ ATOM 496 C ASP A 66 112.446 -1.584 -4.714 1.00 0.00 C
498
+ ATOM 497 CB ASP A 66 111.214 -3.759 -4.528 1.00 0.00 C
499
+ ATOM 498 O ASP A 66 113.441 -1.582 -3.986 1.00 0.00 O
500
+ ATOM 499 CG ASP A 66 110.464 -4.848 -5.275 1.00 0.00 C
501
+ ATOM 500 OD1 ASP A 66 110.410 -4.806 -6.523 1.00 0.00 O
502
+ ATOM 501 OD2 ASP A 66 109.920 -5.755 -4.608 1.00 0.00 O
503
+ ATOM 502 N VAL A 67 111.712 -0.538 -4.895 1.00 0.00 N
504
+ ATOM 503 CA VAL A 67 111.904 0.717 -4.178 1.00 0.00 C
505
+ ATOM 504 C VAL A 67 111.063 0.718 -2.903 1.00 0.00 C
506
+ ATOM 505 CB VAL A 67 111.539 1.935 -5.057 1.00 0.00 C
507
+ ATOM 506 O VAL A 67 109.880 0.372 -2.932 1.00 0.00 O
508
+ ATOM 507 CG1 VAL A 67 111.528 3.217 -4.226 1.00 0.00 C
509
+ ATOM 508 CG2 VAL A 67 112.516 2.060 -6.226 1.00 0.00 C
510
+ ATOM 509 N ILE A 68 111.657 1.093 -1.845 1.00 0.00 N
511
+ ATOM 510 CA ILE A 68 110.900 1.220 -0.604 1.00 0.00 C
512
+ ATOM 511 C ILE A 68 110.177 2.565 -0.577 1.00 0.00 C
513
+ ATOM 512 CB ILE A 68 111.815 1.078 0.632 1.00 0.00 C
514
+ ATOM 513 O ILE A 68 110.816 3.621 -0.579 1.00 0.00 O
515
+ ATOM 514 CG1 ILE A 68 112.574 -0.253 0.584 1.00 0.00 C
516
+ ATOM 515 CG2 ILE A 68 110.999 1.197 1.923 1.00 0.00 C
517
+ ATOM 516 CD1 ILE A 68 113.543 -0.455 1.741 1.00 0.00 C
518
+ ATOM 517 N VAL A 69 108.869 2.548 -0.525 1.00 0.00 N
519
+ ATOM 518 CA VAL A 69 108.048 3.753 -0.589 1.00 0.00 C
520
+ ATOM 519 C VAL A 69 107.628 4.169 0.819 1.00 0.00 C
521
+ ATOM 520 CB VAL A 69 106.800 3.544 -1.478 1.00 0.00 C
522
+ ATOM 521 O VAL A 69 107.711 5.346 1.176 1.00 0.00 O
523
+ ATOM 522 CG1 VAL A 69 105.894 4.773 -1.434 1.00 0.00 C
524
+ ATOM 523 CG2 VAL A 69 107.216 3.232 -2.914 1.00 0.00 C
525
+ ATOM 524 N SER A 70 107.248 3.213 1.578 1.00 0.00 N
526
+ ATOM 525 CA SER A 70 106.810 3.548 2.929 1.00 0.00 C
527
+ ATOM 526 C SER A 70 107.097 2.409 3.901 1.00 0.00 C
528
+ ATOM 527 CB SER A 70 105.317 3.878 2.943 1.00 0.00 C
529
+ ATOM 528 O SER A 70 107.149 1.244 3.502 1.00 0.00 O
530
+ ATOM 529 OG SER A 70 104.541 2.707 2.749 1.00 0.00 O
531
+ ATOM 530 N VAL A 71 107.315 2.784 5.174 1.00 0.00 N
532
+ ATOM 531 CA VAL A 71 107.462 1.913 6.336 1.00 0.00 C
533
+ ATOM 532 C VAL A 71 106.431 2.290 7.397 1.00 0.00 C
534
+ ATOM 533 CB VAL A 71 108.887 1.991 6.926 1.00 0.00 C
535
+ ATOM 534 O VAL A 71 106.419 3.422 7.887 1.00 0.00 O
536
+ ATOM 535 CG1 VAL A 71 109.050 1.000 8.076 1.00 0.00 C
537
+ ATOM 536 CG2 VAL A 71 109.929 1.729 5.840 1.00 0.00 C
538
+ ATOM 537 N ASN A 72 105.516 1.399 7.764 1.00 0.00 N
539
+ ATOM 538 CA ASN A 72 104.417 1.703 8.673 1.00 0.00 C
540
+ ATOM 539 C ASN A 72 103.720 3.007 8.295 1.00 0.00 C
541
+ ATOM 540 CB ASN A 72 104.918 1.770 10.118 1.00 0.00 C
542
+ ATOM 541 O ASN A 72 103.584 3.907 9.125 1.00 0.00 O
543
+ ATOM 542 CG ASN A 72 105.351 0.417 10.648 1.00 0.00 C
544
+ ATOM 543 ND2 ASN A 72 106.288 0.421 11.589 1.00 0.00 N
545
+ ATOM 544 OD1 ASN A 72 104.848 -0.623 10.216 1.00 0.00 O
546
+ ATOM 545 N ASP A 73 103.322 3.253 7.154 1.00 0.00 N
547
+ ATOM 546 CA ASP A 73 102.549 4.375 6.632 1.00 0.00 C
548
+ ATOM 547 C ASP A 73 103.398 5.642 6.563 1.00 0.00 C
549
+ ATOM 548 CB ASP A 73 101.308 4.619 7.494 1.00 0.00 C
550
+ ATOM 549 O ASP A 73 102.887 6.721 6.256 1.00 0.00 O
551
+ ATOM 550 CG ASP A 73 100.303 3.483 7.422 1.00 0.00 C
552
+ ATOM 551 OD1 ASP A 73 100.113 2.904 6.330 1.00 0.00 O
553
+ ATOM 552 OD2 ASP A 73 99.693 3.165 8.466 1.00 0.00 O
554
+ ATOM 553 N THR A 74 104.647 5.565 7.004 1.00 0.00 N
555
+ ATOM 554 CA THR A 74 105.566 6.682 6.821 1.00 0.00 C
556
+ ATOM 555 C THR A 74 106.217 6.627 5.442 1.00 0.00 C
557
+ ATOM 556 CB THR A 74 106.658 6.692 7.906 1.00 0.00 C
558
+ ATOM 557 O THR A 74 106.899 5.655 5.110 1.00 0.00 O
559
+ ATOM 558 CG2 THR A 74 107.579 7.898 7.750 1.00 0.00 C
560
+ ATOM 559 OG1 THR A 74 106.039 6.742 9.198 1.00 0.00 O
561
+ ATOM 560 N CYS A 75 105.927 7.630 4.678 1.00 0.00 N
562
+ ATOM 561 CA CYS A 75 106.618 7.742 3.399 1.00 0.00 C
563
+ ATOM 562 C CYS A 75 108.112 7.964 3.604 1.00 0.00 C
564
+ ATOM 563 CB CYS A 75 106.033 8.885 2.572 1.00 0.00 C
565
+ ATOM 564 O CYS A 75 108.514 8.860 4.348 1.00 0.00 O
566
+ ATOM 565 SG CYS A 75 106.807 9.081 0.952 1.00 0.00 S
567
+ ATOM 566 N VAL A 76 108.943 7.177 2.836 1.00 0.00 N
568
+ ATOM 567 CA VAL A 76 110.372 7.306 3.099 1.00 0.00 C
569
+ ATOM 568 C VAL A 76 111.086 7.801 1.843 1.00 0.00 C
570
+ ATOM 569 CB VAL A 76 110.986 5.969 3.569 1.00 0.00 C
571
+ ATOM 570 O VAL A 76 112.318 7.816 1.787 1.00 0.00 O
572
+ ATOM 571 CG1 VAL A 76 110.409 5.556 4.922 1.00 0.00 C
573
+ ATOM 572 CG2 VAL A 76 110.748 4.878 2.528 1.00 0.00 C
574
+ ATOM 573 N LEU A 77 110.299 8.143 0.847 1.00 0.00 N
575
+ ATOM 574 CA LEU A 77 110.906 8.836 -0.285 1.00 0.00 C
576
+ ATOM 575 C LEU A 77 111.518 10.163 0.153 1.00 0.00 C
577
+ ATOM 576 CB LEU A 77 109.867 9.078 -1.384 1.00 0.00 C
578
+ ATOM 577 O LEU A 77 110.854 10.974 0.801 1.00 0.00 O
579
+ ATOM 578 CG LEU A 77 109.178 7.836 -1.951 1.00 0.00 C
580
+ ATOM 579 CD1 LEU A 77 108.123 8.238 -2.977 1.00 0.00 C
581
+ ATOM 580 CD2 LEU A 77 110.202 6.893 -2.571 1.00 0.00 C
582
+ ATOM 581 N GLY A 78 112.797 10.371 -0.074 1.00 0.00 N
583
+ ATOM 582 CA GLY A 78 113.503 11.573 0.341 1.00 0.00 C
584
+ ATOM 583 C GLY A 78 114.264 11.400 1.641 1.00 0.00 C
585
+ ATOM 584 O GLY A 78 114.965 12.312 2.084 1.00 0.00 O
586
+ ATOM 585 N HIS A 79 114.028 10.240 2.243 1.00 0.00 N
587
+ ATOM 586 CA HIS A 79 114.828 9.912 3.417 1.00 0.00 C
588
+ ATOM 587 C HIS A 79 116.174 9.317 3.017 1.00 0.00 C
589
+ ATOM 588 CB HIS A 79 114.074 8.940 4.326 1.00 0.00 C
590
+ ATOM 589 O HIS A 79 116.289 8.679 1.969 1.00 0.00 O
591
+ ATOM 590 CG HIS A 79 112.904 9.556 5.025 1.00 0.00 C
592
+ ATOM 591 CD2 HIS A 79 112.648 9.737 6.341 1.00 0.00 C
593
+ ATOM 592 ND1 HIS A 79 111.819 10.072 4.347 1.00 0.00 N
594
+ ATOM 593 CE1 HIS A 79 110.947 10.545 5.220 1.00 0.00 C
595
+ ATOM 594 NE2 HIS A 79 111.425 10.354 6.437 1.00 0.00 N
596
+ ATOM 595 N THR A 80 117.211 9.590 3.859 1.00 0.00 N
597
+ ATOM 596 CA THR A 80 118.513 8.984 3.602 1.00 0.00 C
598
+ ATOM 597 C THR A 80 118.523 7.519 4.032 1.00 0.00 C
599
+ ATOM 598 CB THR A 80 119.636 9.743 4.333 1.00 0.00 C
600
+ ATOM 599 O THR A 80 117.658 7.085 4.796 1.00 0.00 O
601
+ ATOM 600 CG2 THR A 80 119.615 11.227 3.984 1.00 0.00 C
602
+ ATOM 601 OG1 THR A 80 119.463 9.594 5.749 1.00 0.00 O
603
+ ATOM 602 N HIS A 81 119.499 6.851 3.539 1.00 0.00 N
604
+ ATOM 603 CA HIS A 81 119.759 5.474 3.942 1.00 0.00 C
605
+ ATOM 604 C HIS A 81 119.771 5.338 5.461 1.00 0.00 C
606
+ ATOM 605 CB HIS A 81 121.087 4.987 3.361 1.00 0.00 C
607
+ ATOM 606 O HIS A 81 119.077 4.483 6.018 1.00 0.00 O
608
+ ATOM 607 CG HIS A 81 121.337 3.527 3.575 1.00 0.00 C
609
+ ATOM 608 CD2 HIS A 81 121.245 2.764 4.689 1.00 0.00 C
610
+ ATOM 609 ND1 HIS A 81 121.737 2.684 2.561 1.00 0.00 N
611
+ ATOM 610 CE1 HIS A 81 121.880 1.461 3.044 1.00 0.00 C
612
+ ATOM 611 NE2 HIS A 81 121.588 1.483 4.333 1.00 0.00 N
613
+ ATOM 612 N ALA A 82 120.519 6.204 6.062 1.00 0.00 N
614
+ ATOM 613 CA ALA A 82 120.679 6.149 7.513 1.00 0.00 C
615
+ ATOM 614 C ALA A 82 119.340 6.350 8.218 1.00 0.00 C
616
+ ATOM 615 CB ALA A 82 121.685 7.199 7.978 1.00 0.00 C
617
+ ATOM 616 O ALA A 82 119.044 5.674 9.207 1.00 0.00 O
618
+ ATOM 617 N GLN A 83 118.494 7.267 7.740 1.00 0.00 N
619
+ ATOM 618 CA GLN A 83 117.195 7.541 8.344 1.00 0.00 C
620
+ ATOM 619 C GLN A 83 116.273 6.329 8.244 1.00 0.00 C
621
+ ATOM 620 CB GLN A 83 116.539 8.755 7.684 1.00 0.00 C
622
+ ATOM 621 O GLN A 83 115.583 5.986 9.206 1.00 0.00 O
623
+ ATOM 622 CG GLN A 83 117.189 10.082 8.054 1.00 0.00 C
624
+ ATOM 623 CD GLN A 83 116.677 11.239 7.218 1.00 0.00 C
625
+ ATOM 624 NE2 GLN A 83 116.652 12.430 7.806 1.00 0.00 N
626
+ ATOM 625 OE1 GLN A 83 116.308 11.065 6.051 1.00 0.00 O
627
+ ATOM 626 N VAL A 84 116.289 5.636 7.118 1.00 0.00 N
628
+ ATOM 627 CA VAL A 84 115.394 4.500 6.921 1.00 0.00 C
629
+ ATOM 628 C VAL A 84 115.867 3.317 7.762 1.00 0.00 C
630
+ ATOM 629 CB VAL A 84 115.309 4.096 5.432 1.00 0.00 C
631
+ ATOM 630 O VAL A 84 115.055 2.618 8.373 1.00 0.00 O
632
+ ATOM 631 CG1 VAL A 84 114.403 2.880 5.254 1.00 0.00 C
633
+ ATOM 632 CG2 VAL A 84 114.807 5.268 4.590 1.00 0.00 C
634
+ ATOM 633 N VAL A 85 117.190 3.164 7.856 1.00 0.00 N
635
+ ATOM 634 CA VAL A 85 117.736 2.069 8.652 1.00 0.00 C
636
+ ATOM 635 C VAL A 85 117.365 2.262 10.120 1.00 0.00 C
637
+ ATOM 636 CB VAL A 85 119.271 1.967 8.499 1.00 0.00 C
638
+ ATOM 637 O VAL A 85 117.032 1.298 10.815 1.00 0.00 O
639
+ ATOM 638 CG1 VAL A 85 119.863 1.071 9.586 1.00 0.00 C
640
+ ATOM 639 CG2 VAL A 85 119.634 1.441 7.112 1.00 0.00 C
641
+ ATOM 640 N LYS A 86 117.389 3.479 10.576 1.00 0.00 N
642
+ ATOM 641 CA LYS A 86 117.002 3.755 11.957 1.00 0.00 C
643
+ ATOM 642 C LYS A 86 115.546 3.373 12.207 1.00 0.00 C
644
+ ATOM 643 CB LYS A 86 117.221 5.232 12.290 1.00 0.00 C
645
+ ATOM 644 O LYS A 86 115.210 2.853 13.273 1.00 0.00 O
646
+ ATOM 645 CG LYS A 86 118.673 5.597 12.561 1.00 0.00 C
647
+ ATOM 646 CD LYS A 86 118.825 7.075 12.897 1.00 0.00 C
648
+ ATOM 647 CE LYS A 86 120.284 7.452 13.119 1.00 0.00 C
649
+ ATOM 648 NZ LYS A 86 120.446 8.916 13.368 1.00 0.00 N
650
+ ATOM 649 N ILE A 87 114.674 3.573 11.236 1.00 0.00 N
651
+ ATOM 650 CA ILE A 87 113.278 3.172 11.366 1.00 0.00 C
652
+ ATOM 651 C ILE A 87 113.190 1.656 11.525 1.00 0.00 C
653
+ ATOM 652 CB ILE A 87 112.441 3.633 10.153 1.00 0.00 C
654
+ ATOM 653 O ILE A 87 112.531 1.158 12.441 1.00 0.00 O
655
+ ATOM 654 CG1 ILE A 87 112.367 5.164 10.106 1.00 0.00 C
656
+ ATOM 655 CG2 ILE A 87 111.040 3.017 10.197 1.00 0.00 C
657
+ ATOM 656 CD1 ILE A 87 111.725 5.714 8.840 1.00 0.00 C
658
+ ATOM 657 N PHE A 88 113.900 0.924 10.733 1.00 0.00 N
659
+ ATOM 658 CA PHE A 88 113.865 -0.533 10.798 1.00 0.00 C
660
+ ATOM 659 C PHE A 88 114.429 -1.029 12.124 1.00 0.00 C
661
+ ATOM 660 CB PHE A 88 114.651 -1.142 9.632 1.00 0.00 C
662
+ ATOM 661 O PHE A 88 113.907 -1.980 12.709 1.00 0.00 O
663
+ ATOM 662 CG PHE A 88 113.870 -1.220 8.349 1.00 0.00 C
664
+ ATOM 663 CD1 PHE A 88 112.739 -2.021 8.254 1.00 0.00 C
665
+ ATOM 664 CD2 PHE A 88 114.269 -0.491 7.235 1.00 0.00 C
666
+ ATOM 665 CE1 PHE A 88 112.014 -2.094 7.067 1.00 0.00 C
667
+ ATOM 666 CE2 PHE A 88 113.549 -0.560 6.045 1.00 0.00 C
668
+ ATOM 667 CZ PHE A 88 112.423 -1.362 5.963 1.00 0.00 C
669
+ ATOM 668 N GLN A 89 115.484 -0.340 12.578 1.00 0.00 N
670
+ ATOM 669 CA GLN A 89 116.145 -0.745 13.815 1.00 0.00 C
671
+ ATOM 670 C GLN A 89 115.253 -0.484 15.025 1.00 0.00 C
672
+ ATOM 671 CB GLN A 89 117.477 -0.012 13.977 1.00 0.00 C
673
+ ATOM 672 O GLN A 89 115.383 -1.150 16.054 1.00 0.00 O
674
+ ATOM 673 CG GLN A 89 118.567 -0.503 13.035 1.00 0.00 C
675
+ ATOM 674 CD GLN A 89 119.820 0.351 13.090 1.00 0.00 C
676
+ ATOM 675 NE2 GLN A 89 120.936 -0.201 12.627 1.00 0.00 N
677
+ ATOM 676 OE1 GLN A 89 119.785 1.499 13.544 1.00 0.00 O
678
+ ATOM 677 N SER A 90 114.390 0.443 14.889 1.00 0.00 N
679
+ ATOM 678 CA SER A 90 113.531 0.809 16.010 1.00 0.00 C
680
+ ATOM 679 C SER A 90 112.403 -0.201 16.194 1.00 0.00 C
681
+ ATOM 680 CB SER A 90 112.946 2.207 15.803 1.00 0.00 C
682
+ ATOM 681 O SER A 90 111.708 -0.184 17.212 1.00 0.00 O
683
+ ATOM 682 OG SER A 90 111.944 2.190 14.802 1.00 0.00 O
684
+ ATOM 683 N ILE A 91 112.193 -1.056 15.205 1.00 0.00 N
685
+ ATOM 684 CA ILE A 91 111.140 -2.063 15.278 1.00 0.00 C
686
+ ATOM 685 C ILE A 91 111.614 -3.246 16.119 1.00 0.00 C
687
+ ATOM 686 CB ILE A 91 110.716 -2.541 13.872 1.00 0.00 C
688
+ ATOM 687 O ILE A 91 112.654 -3.843 15.831 1.00 0.00 O
689
+ ATOM 688 CG1 ILE A 91 110.209 -1.360 13.036 1.00 0.00 C
690
+ ATOM 689 CG2 ILE A 91 109.652 -3.638 13.972 1.00 0.00 C
691
+ ATOM 690 CD1 ILE A 91 110.038 -1.677 11.557 1.00 0.00 C
692
+ ATOM 691 N PRO A 92 110.933 -3.548 17.150 1.00 0.00 N
693
+ ATOM 692 CA PRO A 92 111.400 -4.634 18.016 1.00 0.00 C
694
+ ATOM 693 C PRO A 92 111.306 -6.003 17.347 1.00 0.00 C
695
+ ATOM 694 CB PRO A 92 110.464 -4.550 19.223 1.00 0.00 C
696
+ ATOM 695 O PRO A 92 110.478 -6.202 16.453 1.00 0.00 O
697
+ ATOM 696 CG PRO A 92 109.877 -3.177 19.158 1.00 0.00 C
698
+ ATOM 697 CD PRO A 92 109.814 -2.753 17.719 1.00 0.00 C
699
+ ATOM 698 N ILE A 93 112.087 -6.878 17.893 1.00 0.00 N
700
+ ATOM 699 CA ILE A 93 111.986 -8.268 17.463 1.00 0.00 C
701
+ ATOM 700 C ILE A 93 110.573 -8.787 17.719 1.00 0.00 C
702
+ ATOM 701 CB ILE A 93 113.023 -9.159 18.184 1.00 0.00 C
703
+ ATOM 702 O ILE A 93 109.987 -8.518 18.770 1.00 0.00 O
704
+ ATOM 703 CG1 ILE A 93 114.445 -8.778 17.756 1.00 0.00 C
705
+ ATOM 704 CG2 ILE A 93 112.747 -10.640 17.909 1.00 0.00 C
706
+ ATOM 705 CD1 ILE A 93 115.539 -9.440 18.582 1.00 0.00 C
707
+ ATOM 706 N GLY A 94 110.007 -9.506 16.757 1.00 0.00 N
708
+ ATOM 707 CA GLY A 94 108.679 -10.081 16.899 1.00 0.00 C
709
+ ATOM 708 C GLY A 94 107.573 -9.154 16.428 1.00 0.00 C
710
+ ATOM 709 O GLY A 94 106.432 -9.583 16.245 1.00 0.00 O
711
+ ATOM 710 N ALA A 95 107.911 -7.916 16.289 1.00 0.00 N
712
+ ATOM 711 CA ALA A 95 106.926 -6.960 15.791 1.00 0.00 C
713
+ ATOM 712 C ALA A 95 106.873 -6.972 14.266 1.00 0.00 C
714
+ ATOM 713 CB ALA A 95 107.244 -5.555 16.298 1.00 0.00 C
715
+ ATOM 714 O ALA A 95 107.816 -7.419 13.609 1.00 0.00 O
716
+ ATOM 715 N SER A 96 105.802 -6.508 13.770 1.00 0.00 N
717
+ ATOM 716 CA SER A 96 105.582 -6.508 12.328 1.00 0.00 C
718
+ ATOM 717 C SER A 96 105.771 -5.112 11.741 1.00 0.00 C
719
+ ATOM 718 CB SER A 96 104.181 -7.023 11.998 1.00 0.00 C
720
+ ATOM 719 O SER A 96 105.607 -4.112 12.442 1.00 0.00 O
721
+ ATOM 720 OG SER A 96 104.047 -8.386 12.364 1.00 0.00 O
722
+ ATOM 721 N VAL A 97 106.128 -5.107 10.572 1.00 0.00 N
723
+ ATOM 722 CA VAL A 97 106.234 -3.864 9.814 1.00 0.00 C
724
+ ATOM 723 C VAL A 97 105.425 -3.974 8.524 1.00 0.00 C
725
+ ATOM 724 CB VAL A 97 107.706 -3.520 9.492 1.00 0.00 C
726
+ ATOM 725 O VAL A 97 105.419 -5.023 7.875 1.00 0.00 O
727
+ ATOM 726 CG1 VAL A 97 108.294 -4.529 8.509 1.00 0.00 C
728
+ ATOM 727 CG2 VAL A 97 107.812 -2.101 8.934 1.00 0.00 C
729
+ ATOM 728 N ASP A 98 104.675 -2.944 8.227 1.00 0.00 N
730
+ ATOM 729 CA ASP A 98 103.970 -2.807 6.956 1.00 0.00 C
731
+ ATOM 730 C ASP A 98 104.814 -2.037 5.942 1.00 0.00 C
732
+ ATOM 731 CB ASP A 98 102.625 -2.108 7.160 1.00 0.00 C
733
+ ATOM 732 O ASP A 98 105.189 -0.888 6.184 1.00 0.00 O
734
+ ATOM 733 CG ASP A 98 101.656 -2.920 8.003 1.00 0.00 C
735
+ ATOM 734 OD1 ASP A 98 101.220 -4.002 7.556 1.00 0.00 O
736
+ ATOM 735 OD2 ASP A 98 101.324 -2.470 9.120 1.00 0.00 O
737
+ ATOM 736 N LEU A 99 105.075 -2.676 4.837 1.00 0.00 N
738
+ ATOM 737 CA LEU A 99 105.909 -2.052 3.815 1.00 0.00 C
739
+ ATOM 738 C LEU A 99 105.118 -1.820 2.533 1.00 0.00 C
740
+ ATOM 739 CB LEU A 99 107.136 -2.920 3.522 1.00 0.00 C
741
+ ATOM 740 O LEU A 99 104.333 -2.678 2.119 1.00 0.00 O
742
+ ATOM 741 CG LEU A 99 108.075 -3.185 4.700 1.00 0.00 C
743
+ ATOM 742 CD1 LEU A 99 109.170 -4.166 4.293 1.00 0.00 C
744
+ ATOM 743 CD2 LEU A 99 108.680 -1.881 5.207 1.00 0.00 C
745
+ ATOM 744 N GLU A 100 105.299 -0.711 1.967 1.00 0.00 N
746
+ ATOM 745 CA GLU A 100 104.890 -0.432 0.593 1.00 0.00 C
747
+ ATOM 746 C GLU A 100 106.100 -0.286 -0.325 1.00 0.00 C
748
+ ATOM 747 CB GLU A 100 104.028 0.831 0.534 1.00 0.00 C
749
+ ATOM 748 O GLU A 100 106.976 0.547 -0.077 1.00 0.00 O
750
+ ATOM 749 CG GLU A 100 103.315 1.028 -0.797 1.00 0.00 C
751
+ ATOM 750 CD GLU A 100 102.409 2.248 -0.817 1.00 0.00 C
752
+ ATOM 751 OE1 GLU A 100 102.895 3.370 -0.549 1.00 0.00 O
753
+ ATOM 752 OE2 GLU A 100 101.202 2.080 -1.103 1.00 0.00 O
754
+ ATOM 753 N LEU A 101 106.120 -1.090 -1.367 1.00 0.00 N
755
+ ATOM 754 CA LEU A 101 107.211 -1.088 -2.335 1.00 0.00 C
756
+ ATOM 755 C LEU A 101 106.703 -0.719 -3.725 1.00 0.00 C
757
+ ATOM 756 CB LEU A 101 107.896 -2.456 -2.376 1.00 0.00 C
758
+ ATOM 757 O LEU A 101 105.518 -0.886 -4.022 1.00 0.00 O
759
+ ATOM 758 CG LEU A 101 108.252 -3.077 -1.024 1.00 0.00 C
760
+ ATOM 759 CD1 LEU A 101 108.604 -4.550 -1.193 1.00 0.00 C
761
+ ATOM 760 CD2 LEU A 101 109.403 -2.317 -0.373 1.00 0.00 C
762
+ ATOM 761 N CYS A 102 107.523 -0.252 -4.535 1.00 0.00 N
763
+ ATOM 762 CA CYS A 102 107.201 -0.004 -5.936 1.00 0.00 C
764
+ ATOM 763 C CYS A 102 108.158 -0.755 -6.856 1.00 0.00 C
765
+ ATOM 764 CB CYS A 102 107.254 1.493 -6.241 1.00 0.00 C
766
+ ATOM 765 O CYS A 102 109.375 -0.585 -6.765 1.00 0.00 O
767
+ ATOM 766 SG CYS A 102 106.653 1.920 -7.890 1.00 0.00 S
768
+ ATOM 767 N ARG A 103 107.601 -1.641 -7.668 1.00 0.00 N
769
+ ATOM 768 CA ARG A 103 108.363 -2.442 -8.620 1.00 0.00 C
770
+ ATOM 769 C ARG A 103 108.306 -1.834 -10.018 1.00 0.00 C
771
+ ATOM 770 CB ARG A 103 107.840 -3.880 -8.653 1.00 0.00 C
772
+ ATOM 771 O ARG A 103 107.227 -1.506 -10.514 1.00 0.00 O
773
+ ATOM 772 CG ARG A 103 108.663 -4.815 -9.524 1.00 0.00 C
774
+ ATOM 773 CD ARG A 103 108.245 -6.268 -9.345 1.00 0.00 C
775
+ ATOM 774 NE ARG A 103 108.477 -6.731 -7.980 1.00 0.00 N
776
+ ATOM 775 NH1 ARG A 103 107.054 -8.545 -8.133 1.00 0.00 N
777
+ ATOM 776 NH2 ARG A 103 108.187 -8.132 -6.184 1.00 0.00 N
778
+ ATOM 777 CZ ARG A 103 107.905 -7.801 -7.435 1.00 0.00 C
779
+ ATOM 778 N GLY A 104 109.485 -1.831 -10.691 1.00 0.00 N
780
+ ATOM 779 CA GLY A 104 109.496 -1.440 -12.092 1.00 0.00 C
781
+ ATOM 780 C GLY A 104 109.788 0.035 -12.297 1.00 0.00 C
782
+ ATOM 781 O GLY A 104 109.651 0.551 -13.408 1.00 0.00 O
783
+ ATOM 782 N TYR A 105 110.189 0.822 -11.258 1.00 0.00 N
784
+ ATOM 783 CA TYR A 105 110.581 2.224 -11.350 1.00 0.00 C
785
+ ATOM 784 C TYR A 105 111.468 2.620 -10.175 1.00 0.00 C
786
+ ATOM 785 CB TYR A 105 109.345 3.126 -11.398 1.00 0.00 C
787
+ ATOM 786 O TYR A 105 111.032 2.589 -9.022 1.00 0.00 O
788
+ ATOM 787 CG TYR A 105 109.650 4.556 -11.773 1.00 0.00 C
789
+ ATOM 788 CD1 TYR A 105 109.829 4.924 -13.104 1.00 0.00 C
790
+ ATOM 789 CD2 TYR A 105 109.761 5.540 -10.798 1.00 0.00 C
791
+ ATOM 790 CE1 TYR A 105 110.113 6.240 -13.455 1.00 0.00 C
792
+ ATOM 791 CE2 TYR A 105 110.045 6.859 -11.136 1.00 0.00 C
793
+ ATOM 792 OH TYR A 105 110.499 8.503 -12.806 1.00 0.00 O
794
+ ATOM 793 CZ TYR A 105 110.218 7.199 -12.465 1.00 0.00 C
795
+ ATOM 794 N PRO A 106 112.652 3.292 -10.332 1.00 0.00 N
796
+ ATOM 795 CA PRO A 106 113.512 3.224 -11.517 1.00 0.00 C
797
+ ATOM 796 C PRO A 106 113.974 1.802 -11.829 1.00 0.00 C
798
+ ATOM 797 CB PRO A 106 114.699 4.115 -11.142 1.00 0.00 C
799
+ ATOM 798 O PRO A 106 113.669 0.872 -11.080 1.00 0.00 O
800
+ ATOM 799 CG PRO A 106 114.796 4.017 -9.654 1.00 0.00 C
801
+ ATOM 800 CD PRO A 106 113.427 3.731 -9.105 1.00 0.00 C
802
+ ATOM 801 N LEU A 107 114.377 1.546 -12.984 1.00 0.00 N
803
+ ATOM 802 CA LEU A 107 115.079 0.297 -13.257 1.00 0.00 C
804
+ ATOM 803 C LEU A 107 116.145 0.031 -12.200 1.00 0.00 C
805
+ ATOM 804 CB LEU A 107 115.721 0.337 -14.646 1.00 0.00 C
806
+ ATOM 805 O LEU A 107 116.675 0.966 -11.596 1.00 0.00 O
807
+ ATOM 806 CG LEU A 107 114.761 0.399 -15.835 1.00 0.00 C
808
+ ATOM 807 CD1 LEU A 107 115.525 0.714 -17.118 1.00 0.00 C
809
+ ATOM 808 CD2 LEU A 107 113.994 -0.912 -15.972 1.00 0.00 C
810
+ ATOM 809 N PRO A 108 116.153 -1.263 -11.634 1.00 0.00 N
811
+ ATOM 810 CA PRO A 108 117.117 -1.662 -10.605 1.00 0.00 C
812
+ ATOM 811 C PRO A 108 118.473 -0.980 -10.770 1.00 0.00 C
813
+ ATOM 812 CB PRO A 108 117.238 -3.175 -10.801 1.00 0.00 C
814
+ ATOM 813 O PRO A 108 118.851 -0.611 -11.886 1.00 0.00 O
815
+ ATOM 814 CG PRO A 108 116.313 -3.487 -11.934 1.00 0.00 C
816
+ ATOM 815 CD PRO A 108 115.718 -2.202 -12.433 1.00 0.00 C
817
+ ATOM 816 N PHE A 109 119.093 -0.546 -9.704 1.00 0.00 N
818
+ ATOM 817 CA PHE A 109 120.528 -0.288 -9.662 1.00 0.00 C
819
+ ATOM 818 C PHE A 109 121.281 -1.269 -10.553 1.00 0.00 C
820
+ ATOM 819 CB PHE A 109 121.050 -0.376 -8.225 1.00 0.00 C
821
+ ATOM 820 O PHE A 109 120.812 -2.385 -10.791 1.00 0.00 O
822
+ ATOM 821 CG PHE A 109 120.879 0.895 -7.437 1.00 0.00 C
823
+ ATOM 822 CD1 PHE A 109 121.849 1.888 -7.475 1.00 0.00 C
824
+ ATOM 823 CD2 PHE A 109 119.746 1.096 -6.660 1.00 0.00 C
825
+ ATOM 824 CE1 PHE A 109 121.694 3.065 -6.747 1.00 0.00 C
826
+ ATOM 825 CE2 PHE A 109 119.582 2.270 -5.930 1.00 0.00 C
827
+ ATOM 826 CZ PHE A 109 120.559 3.253 -5.974 1.00 0.00 C
828
+ ATOM 827 N ASP A 110 122.122 -0.734 -11.347 1.00 0.00 N
829
+ ATOM 828 CA ASP A 110 123.132 -1.611 -11.932 1.00 0.00 C
830
+ ATOM 829 C ASP A 110 123.938 -2.321 -10.846 1.00 0.00 C
831
+ ATOM 830 CB ASP A 110 124.066 -0.818 -12.847 1.00 0.00 C
832
+ ATOM 831 O ASP A 110 124.755 -1.698 -10.165 1.00 0.00 O
833
+ ATOM 832 CG ASP A 110 125.061 -1.697 -13.586 1.00 0.00 C
834
+ ATOM 833 OD1 ASP A 110 125.081 -2.924 -13.350 1.00 0.00 O
835
+ ATOM 834 OD2 ASP A 110 125.831 -1.157 -14.408 1.00 0.00 O
836
+ ATOM 835 N PRO A 111 123.405 -3.476 -10.332 1.00 0.00 N
837
+ ATOM 836 CA PRO A 111 124.275 -4.149 -9.365 1.00 0.00 C
838
+ ATOM 837 C PRO A 111 125.754 -4.047 -9.730 1.00 0.00 C
839
+ ATOM 838 CB PRO A 111 123.800 -5.604 -9.416 1.00 0.00 C
840
+ ATOM 839 O PRO A 111 126.619 -4.167 -8.857 1.00 0.00 O
841
+ ATOM 840 CG PRO A 111 122.833 -5.649 -10.555 1.00 0.00 C
842
+ ATOM 841 CD PRO A 111 122.583 -4.246 -11.026 1.00 0.00 C
843
+ ATOM 842 N ASP A 112 126.061 -3.933 -10.938 1.00 0.00 N
844
+ ATOM 843 CA ASP A 112 127.455 -3.921 -11.370 1.00 0.00 C
845
+ ATOM 844 C ASP A 112 128.027 -2.506 -11.339 1.00 0.00 C
846
+ ATOM 845 CB ASP A 112 127.587 -4.512 -12.776 1.00 0.00 C
847
+ ATOM 846 O ASP A 112 129.192 -2.294 -11.683 1.00 0.00 O
848
+ ATOM 847 CG ASP A 112 127.248 -5.990 -12.832 1.00 0.00 C
849
+ ATOM 848 OD1 ASP A 112 127.567 -6.726 -11.873 1.00 0.00 O
850
+ ATOM 849 OD2 ASP A 112 126.662 -6.425 -13.846 1.00 0.00 O
851
+ ATOM 850 N ASP A 113 127.201 -1.532 -11.039 1.00 0.00 N
852
+ ATOM 851 CA ASP A 113 127.735 -0.175 -10.970 1.00 0.00 C
853
+ ATOM 852 C ASP A 113 128.511 0.046 -9.673 1.00 0.00 C
854
+ ATOM 853 CB ASP A 113 126.607 0.852 -11.089 1.00 0.00 C
855
+ ATOM 854 O ASP A 113 127.929 0.035 -8.586 1.00 0.00 O
856
+ ATOM 855 CG ASP A 113 127.110 2.284 -11.135 1.00 0.00 C
857
+ ATOM 856 OD1 ASP A 113 128.328 2.508 -10.963 1.00 0.00 O
858
+ ATOM 857 OD2 ASP A 113 126.282 3.196 -11.342 1.00 0.00 O
859
+ ATOM 858 N PRO A 114 129.909 -0.027 -9.642 1.00 0.00 N
860
+ ATOM 859 CA PRO A 114 130.726 0.232 -8.453 1.00 0.00 C
861
+ ATOM 860 C PRO A 114 130.319 1.512 -7.726 1.00 0.00 C
862
+ ATOM 861 CB PRO A 114 132.144 0.350 -9.017 1.00 0.00 C
863
+ ATOM 862 O PRO A 114 130.656 1.694 -6.554 1.00 0.00 O
864
+ ATOM 863 CG PRO A 114 131.959 0.446 -10.498 1.00 0.00 C
865
+ ATOM 864 CD PRO A 114 130.550 0.041 -10.830 1.00 0.00 C
866
+ ATOM 865 N ASN A 115 129.786 2.496 -8.362 1.00 0.00 N
867
+ ATOM 866 CA ASN A 115 129.474 3.768 -7.719 1.00 0.00 C
868
+ ATOM 867 C ASN A 115 128.160 3.698 -6.947 1.00 0.00 C
869
+ ATOM 868 CB ASN A 115 129.424 4.894 -8.754 1.00 0.00 C
870
+ ATOM 869 O ASN A 115 127.712 4.699 -6.385 1.00 0.00 O
871
+ ATOM 870 CG ASN A 115 130.798 5.284 -9.260 1.00 0.00 C
872
+ ATOM 871 ND2 ASN A 115 130.876 5.669 -10.528 1.00 0.00 N
873
+ ATOM 872 OD1 ASN A 115 131.783 5.239 -8.518 1.00 0.00 O
874
+ ATOM 873 N THR A 116 127.651 2.483 -6.883 1.00 0.00 N
875
+ ATOM 874 CA THR A 116 126.375 2.297 -6.202 1.00 0.00 C
876
+ ATOM 875 C THR A 116 126.575 2.228 -4.690 1.00 0.00 C
877
+ ATOM 876 CB THR A 116 125.664 1.021 -6.687 1.00 0.00 C
878
+ ATOM 877 O THR A 116 127.552 1.646 -4.214 1.00 0.00 O
879
+ ATOM 878 CG2 THR A 116 124.165 1.253 -6.845 1.00 0.00 C
880
+ ATOM 879 OG1 THR A 116 126.210 0.628 -7.952 1.00 0.00 O
881
+ ATOM 880 N SER A 117 126.282 3.349 -4.029 1.00 0.00 N
882
+ ATOM 881 CA SER A 117 125.883 3.898 -2.737 1.00 0.00 C
883
+ ATOM 882 C SER A 117 125.858 2.817 -1.662 1.00 0.00 C
884
+ ATOM 883 CB SER A 117 124.508 4.560 -2.838 1.00 0.00 C
885
+ ATOM 884 O SER A 117 125.929 1.626 -1.968 1.00 0.00 O
886
+ ATOM 885 OG SER A 117 124.562 5.706 -3.671 1.00 0.00 O
887
+ ATOM 886 N LEU A 118 126.338 3.073 -0.497 1.00 0.00 N
888
+ ATOM 887 CA LEU A 118 126.327 2.306 0.744 1.00 0.00 C
889
+ ATOM 888 C LEU A 118 125.266 1.213 0.698 1.00 0.00 C
890
+ ATOM 889 CB LEU A 118 126.076 3.228 1.941 1.00 0.00 C
891
+ ATOM 890 O LEU A 118 124.137 1.454 0.263 1.00 0.00 O
892
+ ATOM 891 CG LEU A 118 127.241 4.126 2.362 1.00 0.00 C
893
+ ATOM 892 CD1 LEU A 118 126.721 5.368 3.076 1.00 0.00 C
894
+ ATOM 893 CD2 LEU A 118 128.213 3.358 3.251 1.00 0.00 C
895
+ ATOM 894 N VAL A 119 125.645 0.017 0.592 1.00 0.00 N
896
+ ATOM 895 CA VAL A 119 124.821 -1.162 0.838 1.00 0.00 C
897
+ ATOM 896 C VAL A 119 124.691 -1.397 2.341 1.00 0.00 C
898
+ ATOM 897 CB VAL A 119 125.406 -2.416 0.151 1.00 0.00 C
899
+ ATOM 898 O VAL A 119 125.692 -1.423 3.061 1.00 0.00 O
900
+ ATOM 899 CG1 VAL A 119 124.537 -3.641 0.433 1.00 0.00 C
901
+ ATOM 900 CG2 VAL A 119 125.538 -2.186 -1.354 1.00 0.00 C
902
+ ATOM 901 N THR A 120 123.621 -1.234 2.886 1.00 0.00 N
903
+ ATOM 902 CA THR A 120 123.369 -1.715 4.241 1.00 0.00 C
904
+ ATOM 903 C THR A 120 122.457 -2.937 4.220 1.00 0.00 C
905
+ ATOM 904 CB THR A 120 122.738 -0.615 5.115 1.00 0.00 C
906
+ ATOM 905 O THR A 120 121.533 -3.016 3.408 1.00 0.00 O
907
+ ATOM 906 CG2 THR A 120 122.621 -1.067 6.566 1.00 0.00 C
908
+ ATOM 907 OG1 THR A 120 123.555 0.561 5.056 1.00 0.00 O
909
+ ATOM 908 N SER A 121 122.814 -3.884 4.838 1.00 0.00 N
910
+ ATOM 909 CA SER A 121 121.936 -4.992 5.199 1.00 0.00 C
911
+ ATOM 910 C SER A 121 120.935 -4.578 6.273 1.00 0.00 C
912
+ ATOM 911 CB SER A 121 122.755 -6.188 5.687 1.00 0.00 C
913
+ ATOM 912 O SER A 121 121.313 -3.977 7.281 1.00 0.00 O
914
+ ATOM 913 OG SER A 121 123.636 -6.642 4.673 1.00 0.00 O
915
+ ATOM 914 N VAL A 122 119.698 -4.222 6.060 1.00 0.00 N
916
+ ATOM 915 CA VAL A 122 118.666 -4.100 7.084 1.00 0.00 C
917
+ ATOM 916 C VAL A 122 118.401 -5.465 7.716 1.00 0.00 C
918
+ ATOM 917 CB VAL A 122 117.357 -3.517 6.505 1.00 0.00 C
919
+ ATOM 918 O VAL A 122 117.808 -5.551 8.794 1.00 0.00 O
920
+ ATOM 919 CG1 VAL A 122 116.285 -3.416 7.588 1.00 0.00 C
921
+ ATOM 920 CG2 VAL A 122 117.616 -2.150 5.875 1.00 0.00 C
922
+ ATOM 921 N ALA A 123 119.091 -6.382 7.308 1.00 0.00 N
923
+ ATOM 922 CA ALA A 123 119.264 -7.675 7.966 1.00 0.00 C
924
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961
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966
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978
+ END
2kpl/2kpl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2oj9/2oj9_ligand.mol2 ADDED
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2oj9/2oj9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2oj9/2oj9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2os9/2os9_ligand.mol2 ADDED
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27
+ 31.9504 -12.3976 10.4328 H 0 0 0 0 0
28
+ 28.4880 -12.6469 13.5398 H 0 0 0 0 0
29
+ 1 2 1 0 0 0
30
+ 1 6 1 0 0 0
31
+ 1 7 1 0 0 0
32
+ 2 3 1 0 0 0
33
+ 2 8 1 0 0 0
34
+ 3 4 1 0 0 0
35
+ 3 9 1 0 0 0
36
+ 4 5 1 0 0 0
37
+ 4 10 1 0 0 0
38
+ 5 6 1 0 0 0
39
+ 5 11 1 0 0 0
40
+ 6 12 1 0 0 0
41
+ 1 13 1 0 0 0
42
+ 2 14 1 0 0 0
43
+ 3 15 1 0 0 0
44
+ 4 16 1 0 0 0
45
+ 5 17 1 0 0 0
46
+ 6 18 1 0 0 0
47
+ 7 19 1 0 0 0
48
+ 8 20 1 0 0 0
49
+ 9 21 1 0 0 0
50
+ 10 22 1 0 0 0
51
+ 11 23 1 0 0 0
52
+ 12 24 1 0 0 0
53
+ M END
54
+ $$$$