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PDBbind

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linbc20 commited on
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1 Parent(s): 6afefc0

Add batch 96

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Files changed (50) hide show
  1. 1a50/1a50_ligand.mol2 +75 -0
  2. 1a50/1a50_ligand.sdf +67 -0
  3. 1a50/1a50_protein_fix.pdb +0 -0
  4. 1a69/1a69_ligand.mol2 +80 -0
  5. 1a69/1a69_ligand.sdf +68 -0
  6. 1a69/1a69_protein_esmfold_aligned_tr_fix.pdb +0 -0
  7. 1a69/1a69_protein_processed_fix.pdb +0 -0
  8. 1c5y/1c5y_ligand.mol2 +57 -0
  9. 1c5y/1c5y_ligand.sdf +45 -0
  10. 1c5y/1c5y_protein_esmfold_aligned_tr_fix.pdb +0 -0
  11. 1c5y/1c5y_protein_processed_fix.pdb +0 -0
  12. 1f5l/1f5l_ligand.mol2 +64 -0
  13. 1f5l/1f5l_ligand.sdf +50 -0
  14. 1f5l/1f5l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  15. 1f5l/1f5l_protein_processed_fix.pdb +0 -0
  16. 1gpn/1gpn_ligand.mol2 +99 -0
  17. 1gpn/1gpn_ligand.sdf +89 -0
  18. 1gpn/1gpn_protein_esmfold_aligned_tr_fix.pdb +0 -0
  19. 1gpn/1gpn_protein_processed_fix.pdb +0 -0
  20. 1gvu/1gvu_ligand.mol2 +248 -0
  21. 1gvu/1gvu_ligand.sdf +238 -0
  22. 1gvu/1gvu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  23. 1gvu/1gvu_protein_processed_fix.pdb +0 -0
  24. 1j4q/1j4q_ligand.mol2 +403 -0
  25. 1j4q/1j4q_ligand.sdf +405 -0
  26. 1j4q/1j4q_protein_esmfold_aligned_tr_fix.pdb +1203 -0
  27. 1j4q/1j4q_protein_processed_fix.pdb +0 -0
  28. 1n3z/1n3z_ligand.mol2 +81 -0
  29. 1n3z/1n3z_ligand.sdf +75 -0
  30. 1n3z/1n3z_protein_esmfold_aligned_tr_fix.pdb +907 -0
  31. 1n3z/1n3z_protein_processed_fix.pdb +0 -0
  32. 1ny2/1ny2_ligand.mol2 +141 -0
  33. 1ny2/1ny2_ligand.sdf +131 -0
  34. 1ny2/1ny2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  35. 1ny2/1ny2_protein_processed_fix.pdb +0 -0
  36. 1shc/1shc_ligand.mol2 +411 -0
  37. 1shc/1shc_ligand.sdf +407 -0
  38. 1shc/1shc_protein_fix.pdb +0 -0
  39. 1xug/1xug_ligand.mol2 +105 -0
  40. 1xug/1xug_ligand.sdf +87 -0
  41. 1xug/1xug_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 1xug/1xug_protein_processed_fix.pdb +0 -0
  43. 1zpc/1zpc_ligand.mol2 +149 -0
  44. 1zpc/1zpc_ligand.sdf +137 -0
  45. 1zpc/1zpc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 1zpc/1zpc_protein_processed_fix.pdb +0 -0
  47. 2h44/2h44_ligand.mol2 +153 -0
  48. 2h44/2h44_ligand.sdf +143 -0
  49. 2h44/2h44_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2h44/2h44_protein_processed_fix.pdb +0 -0
1a50/1a50_ligand.mol2 ADDED
@@ -0,0 +1,75 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1a50_ligand
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+ 29 30 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+ @<TRIPOS>ATOM
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+ 1 C3 49.7220 27.4730 14.9290 C.2 1 FIP -0.0476
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+ 2 C9 50.2740 26.1560 14.8240 C.ar 1 FIP -0.0237
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+ 3 C8 51.6700 26.2730 14.9920 C.ar 1 FIP 0.0571
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+ 4 C4 49.7210 24.8860 14.6110 C.ar 1 FIP -0.0422
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+ 5 C2 50.7710 28.3140 15.1330 C.2 1 FIP 0.0156
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+ 6 N1 51.9490 27.5990 15.1840 N.pl3 1 FIP -0.2907
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+ 7 C7 52.5230 25.1710 14.9480 C.ar 1 FIP -0.0448
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+ 8 C5 50.5670 23.7870 14.5810 C.ar 1 FIP 0.1139
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+ 9 C6 51.9560 23.9400 14.7480 C.ar 1 FIP -0.0424
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+ 10 F 50.0480 22.5650 14.4030 F 1 FIP -0.1945
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+ 11 C3P 48.2850 27.8430 14.8110 C.3 1 FIP -0.0343
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+ 12 C2P 47.8320 27.6530 13.3730 C.3 1 FIP -0.0207
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+ 13 C1P 48.4220 28.7450 12.4910 C.3 1 FIP 0.0795
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+ 14 P 48.3710 29.6250 9.9940 P.3 1 FIP 0.2007
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+ 15 OP1 49.5210 30.4410 10.4790 O.co2 1 FIP -0.5537
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+ 16 OP2 47.1010 30.4380 9.9660 O.co2 1 FIP -0.5537
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+ 17 OP3 48.5940 28.7240 8.8500 O.co2 1 FIP -0.5537
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+ 18 OP4 48.0430 28.5310 11.1480 O.3 1 FIP -0.2759
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+ 19 H1 48.6528 24.7648 14.4724 H 1 FIP 0.0516
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+ 20 H2 50.6922 29.3948 15.2404 H 1 FIP 0.0793
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+ 21 H3 52.8857 27.9977 15.3409 H 1 FIP 0.2208
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+ 22 H4 53.5945 25.2840 15.0675 H 1 FIP 0.0536
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+ 23 H5 52.5924 23.0630 14.7177 H 1 FIP 0.0526
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+ 24 H6 48.1518 28.8955 15.1018 H 1 FIP 0.0349
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+ 25 H7 47.6851 27.2010 15.4727 H 1 FIP 0.0349
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+ 26 H8 46.7340 27.7021 13.3277 H 1 FIP 0.0304
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+ 27 H9 48.1703 26.6707 13.0115 H 1 FIP 0.0304
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+ 28 H10 49.5191 28.7244 12.5686 H 1 FIP 0.0613
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+ 29 H11 48.0492 29.7248 12.8240 H 1 FIP 0.0613
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+ @<TRIPOS>BOND
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+ 1 1 2 1
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+ 2 1 5 2
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+ 3 11 1 1
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+ 4 2 3 ar
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+ 5 2 4 ar
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+ 6 6 3 1
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+ 7 3 7 ar
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+ 8 4 8 ar
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+ 9 5 6 1
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+ 10 7 9 ar
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+ 11 8 9 ar
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+ 12 8 10 1
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+ 13 12 11 1
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+ 14 13 12 1
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+ 15 18 13 1
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+ 16 14 15 ar
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+ 17 14 16 ar
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+ 18 14 17 ar
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+ 19 14 18 1
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+ 20 4 19 1
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+ 22 6 21 1
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 FIP 1
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+
1a50/1a50_ligand.sdf ADDED
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+ 1a50_ligand
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+ -I-interpret-
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+
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+ 50.0480 22.5650 14.4030 F 0 0 0 0 0
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+ 48.2850 27.8430 14.8110 C 0 0 0 0 0
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+ 16 30 1 0 0 0
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+ M END
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+ $$$$
1a50/1a50_protein_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a69/1a69_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1a69_ligand
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+ 31 33 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
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+ @<TRIPOS>ATOM
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+ 1 N1 -18.6290 72.4960 64.7810 N.am 1 FMB -0.2040
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+ 2 C2 -17.6590 72.8430 65.6920 C.2 1 FMB 0.1155
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+ 3 N3 -17.4340 72.1880 66.8280 N.2 1 FMB -0.3133
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+ 4 C4 -18.2650 71.1350 66.9710 C.2 1 FMB 0.0514
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+ 5 C5 -19.2640 70.7080 66.1180 C.2 1 FMB 0.1658
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+ 6 C6 -19.4960 71.4120 64.9200 C.2 1 FMB 0.2557
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+ 7 O6 -20.3350 71.1770 64.0460 O.2 1 FMB -0.3928
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+ 8 N7 -19.9000 69.5840 66.6230 N.pl3 1 FMB -0.2175
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+ 9 N8 -19.2890 69.3560 67.7600 N.2 1 FMB -0.2166
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+ 10 C9 -18.2820 70.2630 68.0340 C.2 1 FMB 0.0647
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+ 11 C1' -17.5510 69.7970 69.2390 C.3 1 FMB 0.1274
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+ 12 C2' -16.4120 70.7300 69.6340 C.3 1 FMB 0.1185
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+ 13 O2' -15.2040 69.9950 69.6560 O.3 1 FMB -0.3847
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+ 14 C3' -16.8460 71.3300 70.9950 C.3 1 FMB 0.1135
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+ 15 O3' -16.1160 70.8000 72.1220 O.3 1 FMB -0.3863
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+ 16 C4' -18.3190 70.9540 71.1130 C.3 1 FMB 0.1128
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+ 17 O4' -18.4590 69.7460 70.3290 O.3 1 FMB -0.3544
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+ 18 C5' -19.2870 72.0220 70.6090 C.3 1 FMB 0.0731
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+ 19 O5' -20.6560 71.5800 70.5560 O.3 1 FMB -0.3924
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+ 21 H2 -17.0360 73.7081 65.4696 H 1 FMB 0.1425
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+ 22 H3 -20.6742 69.0511 66.2017 H 1 FMB 0.2487
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+ 23 H4 -17.1436 68.7942 69.0429 H 1 FMB 0.0772
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+ 31 H12 -20.7246 70.8350 69.9705 H 1 FMB 0.2095
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+ @<TRIPOS>BOND
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1a69/1a69_ligand.sdf ADDED
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+ M END
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+ $$$$
1a69/1a69_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a69/1a69_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1c5y/1c5y_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1c5y_ligand
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+ 20 21 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+ @<TRIPOS>ATOM
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+ 1 C0 8.1660 -0.9270 25.8650 C.cat 1 ESP 0.2518
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+ 2 C1 8.4900 0.3310 25.4350 C.2 1 ESP 0.0906
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+ 3 N1 7.5500 -1.0330 27.0040 N.pl3 1 ESP -0.2702
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+ 4 N2 8.5110 -1.9100 25.0980 N.pl3 1 ESP -0.2702
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+ 5 S2 9.0730 0.5490 23.7620 S.3 1 ESP -0.0116
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+ 6 C3 9.2650 2.2370 23.9650 C.ar 1 ESP 0.1073
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+ 7 C4 8.8960 2.5900 25.2540 C.ar 1 ESP 0.0013
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+ 8 C5 8.4730 1.5580 26.0570 C.2 1 ESP -0.0474
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+ 9 N6 9.6740 3.1910 23.1680 N.ar 1 ESP -0.2884
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+ 10 C7 9.7660 4.4770 23.4640 C.ar 1 ESP 0.0008
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+ 11 C8 9.3970 4.8440 24.7560 C.ar 1 ESP -0.0442
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+ 12 C9 8.9570 3.9010 25.6530 C.ar 1 ESP -0.0477
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+ 13 H1 7.2883 -1.9621 27.3635 H 1 ESP 0.3182
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+ 14 H2 7.3233 -0.1879 27.5475 H 1 ESP 0.3182
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+ 15 H3 8.9982 -1.7238 24.2098 H 1 ESP 0.3182
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+ 16 H4 8.2985 -2.8789 25.3755 H 1 ESP 0.3182
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+ 17 H5 8.1543 1.6983 27.0888 H 1 ESP 0.0436
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+ 18 H6 10.1102 5.2063 22.7397 H 1 ESP 0.0776
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+ 19 H7 9.4576 5.8837 25.0566 H 1 ESP 0.0642
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+ 20 H8 8.6637 4.1874 26.6565 H 1 ESP 0.0695
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+ @<TRIPOS>BOND
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+ 29 N 4.4570 276.5230 14.9690 N.am 1 STA -0.2792
42
+ 30 CA 5.3320 277.6930 14.7580 C.3 1 STA 0.0703
43
+ 31 CB 6.7730 277.3440 15.2010 C.3 1 STA -0.0250
44
+ 32 CG 7.0140 276.8210 16.6390 C.3 1 STA -0.0446
45
+ 33 CD1 8.4570 276.3450 16.8090 C.3 1 STA -0.0626
46
+ 34 CD2 6.6850 277.8720 17.7020 C.3 1 STA -0.0626
47
+ 35 CH 5.2630 278.1460 13.2880 C.3 1 STA 0.0947
48
+ 36 OH 5.6100 276.9900 12.4140 O.3 1 STA -0.3872
49
+ 37 CM 3.9190 278.6940 12.7850 C.3 1 STA 0.0655
50
+ 38 C 3.6080 280.0890 13.3180 C.2 1 STA 0.1808
51
+ 39 O 2.9850 280.2590 14.3690 O.2 1 STA -0.3968
52
+ 40 N 4.0720 281.1410 12.5960 N.am 1 VAL -0.2653
53
+ 41 CA 3.8570 282.5410 13.0620 C.3 1 VAL 0.1331
54
+ 42 C 2.3810 282.9190 12.8720 C.2 1 VAL 0.2036
55
+ 43 O 1.7350 282.5630 11.8760 O.2 1 VAL -0.3944
56
+ 44 CB 4.7680 283.5350 12.3100 C.3 1 VAL -0.0063
57
+ 45 CG1 4.4480 283.6190 10.8120 C.3 1 VAL -0.0584
58
+ 46 CG2 4.7460 284.9400 12.9260 C.3 1 VAL -0.0584
59
+ 47 N 1.9210 283.7460 13.8000 N.am 1 ILE -0.2692
60
+ 48 CA 0.6760 284.4830 13.6750 C.3 1 ILE 0.0969
61
+ 49 C 0.9490 285.8490 13.0470 C.2 1 ILE 0.0604
62
+ 50 O 1.6340 286.7020 13.5940 O.co2 1 ILE -0.5666
63
+ 51 CB 0.0460 284.6940 15.0510 C.3 1 ILE -0.0092
64
+ 52 CG1 -0.2010 283.4450 15.9120 C.3 1 ILE -0.0497
65
+ 53 CG2 -1.2560 285.4920 14.8890 C.3 1 ILE -0.0588
66
+ 54 CD1 -0.4930 283.8310 17.3720 C.3 1 ILE -0.0649
67
+ 55 O1 0.4482 286.1071 11.9200 O.co2 1 ILE -0.5666
68
+ 56 H1 2.8411 270.3193 22.3497 H 1 PRO 0.2035
69
+ 57 H2 3.7408 268.9411 22.3266 H 1 PRO 0.2035
70
+ 58 H3 4.0513 268.9870 20.1399 H 1 PRO 0.1099
71
+ 59 H4 2.1069 268.7385 18.7937 H 1 PRO 0.0347
72
+ 60 H5 1.2026 270.0048 19.6910 H 1 PRO 0.0347
73
+ 61 H6 1.9017 267.1671 20.5529 H 1 PRO 0.0320
74
+ 62 H7 0.3173 268.0100 20.6311 H 1 PRO 0.0320
75
+ 63 H8 1.9254 267.7735 22.8093 H 1 PRO 0.0814
76
+ 64 H9 0.9183 269.2353 22.5343 H 1 PRO 0.0814
77
+ 65 H10 4.4945 270.5467 18.5411 H 1 PHE 0.1886
78
+ 66 H11 4.4875 273.3473 19.4896 H 1 PHE 0.0823
79
+ 67 H12 6.2876 273.5486 17.6602 H 1 PHE 0.0474
80
+ 68 H13 6.1993 271.7619 17.4974 H 1 PHE 0.0474
81
+ 69 H14 7.8837 274.4123 19.0512 H 1 PHE 0.0557
82
+ 70 H15 6.6552 270.4505 19.9054 H 1 PHE 0.0557
83
+ 71 H16 9.4794 274.2961 20.8616 H 1 PHE 0.0599
84
+ 72 H17 8.3026 270.3329 21.6881 H 1 PHE 0.0599
85
+ 73 H18 9.7794 272.2253 22.1687 H 1 PHE 0.0559
86
+ 74 H19 3.9237 275.0487 18.0646 H 1 HIS 0.1885
87
+ 75 H20 3.1366 274.4494 15.2584 H 1 HIS 0.0824
88
+ 76 H21 1.2722 275.7183 17.2984 H 1 HIS 0.0491
89
+ 77 H22 1.0736 274.1120 16.5192 H 1 HIS 0.0491
90
+ 78 H23 -1.1528 276.2564 16.4124 H 1 HIS 0.2386
91
+ 79 H24 1.8875 275.7812 13.4983 H 1 HIS 0.0324
92
+ 80 H25 -2.0098 277.3635 14.2811 H 1 HIS 0.1149
93
+ 81 H26 4.5494 275.7457 14.3467 H 1 STA 0.1856
94
+ 82 H27 4.9708 278.5202 15.3867 H 1 STA 0.0583
95
+ 83 H28 7.3751 278.2573 15.0858 H 1 STA 0.0291
96
+ 84 H29 7.1433 276.5712 14.5114 H 1 STA 0.0291
97
+ 85 H30 6.3478 275.9602 16.7976 H 1 STA 0.0296
98
+ 86 H31 8.6038 275.9789 17.8359 H 1 STA 0.0232
99
+ 87 H32 9.1443 277.1819 16.6164 H 1 STA 0.0232
100
+ 88 H33 8.6611 275.5316 16.0972 H 1 STA 0.0232
101
+ 89 H34 5.6461 278.2101 17.5741 H 1 STA 0.0232
102
+ 90 H35 7.3655 278.7293 17.5930 H 1 STA 0.0232
103
+ 91 H36 6.8068 277.4320 18.7028 H 1 STA 0.0232
104
+ 92 H37 6.0144 278.9386 13.1567 H 1 STA 0.0642
105
+ 93 H38 6.4395 276.6207 12.6937 H 1 STA 0.2101
106
+ 94 H39 3.1194 278.0099 13.1053 H 1 STA 0.0529
107
+ 95 H40 3.9468 278.7366 11.6862 H 1 STA 0.0529
108
+ 96 H41 4.5639 280.9749 11.7413 H 1 VAL 0.1883
109
+ 97 H42 4.0998 282.5932 14.1336 H 1 VAL 0.0802
110
+ 98 H43 5.7957 283.1539 12.4030 H 1 VAL 0.0343
111
+ 99 H44 5.1265 284.3396 10.3320 H 1 VAL 0.0234
112
+ 100 H45 3.4075 283.9493 10.6773 H 1 VAL 0.0234
113
+ 101 H46 4.5807 282.6284 10.3526 H 1 VAL 0.0234
114
+ 102 H47 4.9760 284.8733 13.9996 H 1 VAL 0.0234
115
+ 103 H48 3.7485 285.3837 12.7917 H 1 VAL 0.0234
116
+ 104 H49 5.4977 285.5703 12.4285 H 1 VAL 0.0234
117
+ 105 H50 2.4612 283.8693 14.6324 H 1 ILE 0.1875
118
+ 106 H51 -0.0185 283.9164 13.0373 H 1 ILE 0.0729
119
+ 107 H52 0.7511 285.3188 15.6189 H 1 ILE 0.0338
120
+ 108 H53 0.6926 282.8043 15.8812 H 1 ILE 0.0267
121
+ 109 H54 -1.0620 282.8932 15.5068 H 1 ILE 0.0267
122
+ 110 H55 -1.0659 286.3823 14.2716 H 1 ILE 0.0234
123
+ 111 H56 -1.6208 285.8034 15.8789 H 1 ILE 0.0234
124
+ 112 H57 -2.0139 284.8620 14.4004 H 1 ILE 0.0234
125
+ 113 H58 -0.6656 282.9204 17.9645 H 1 ILE 0.0230
126
+ 114 H59 -1.3884 284.4687 17.4106 H 1 ILE 0.0230
127
+ 115 H60 0.3662 284.3798 17.7851 H 1 ILE 0.0230
128
+ @<TRIPOS>BOND
129
+ 1 2 1 1
130
+ 2 2 5 1
131
+ 3 3 2 1
132
+ 4 3 4 2
133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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196
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197
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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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228
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229
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230
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
+ @<TRIPOS>SUBSTRUCTURE
247
+ 1 PRO 1
248
+
1gvu/1gvu_ligand.sdf ADDED
@@ -0,0 +1,238 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1gvu_ligand
2
+ -I-interpret-
3
+
4
+ 115117 0 0 0 0 0 0 0 0999 V2000
5
+ 2.9550 269.4180 21.9130 N 0 3 0 0 0
6
+ 3.2060 269.6060 20.4750 C 0 0 0 0 0
7
+ 3.5000 271.0690 20.1950 C 0 0 0 0 0
8
+ 3.0680 271.9710 20.9290 O 0 0 0 0 0
9
+ 1.9100 269.1680 19.7870 C 0 0 0 0 0
10
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11
+ 1.7320 268.6160 22.1290 C 0 0 0 0 0
12
+ 4.2110 271.3260 19.1000 N 0 0 0 0 0
13
+ 4.6040 272.6380 18.6570 C 0 0 0 0 0
14
+ 3.7540 273.1190 17.4350 C 0 0 0 0 0
15
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16
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17
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18
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19
+ 7.2750 271.3180 20.1010 C 0 0 0 0 0
20
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21
+ 8.2150 271.2450 21.1090 C 0 0 0 0 0
22
+ 9.0290 272.2880 21.3890 C 0 0 0 0 0
23
+ 3.5940 274.4570 17.3290 N 0 0 0 0 0
24
+ 2.9420 275.0650 16.1490 C 0 0 0 0 0
25
+ 3.5460 276.4450 15.9480 C 0 0 0 0 0
26
+ 3.2080 277.4170 16.6290 O 0 0 0 0 0
27
+ 1.4450 275.1380 16.3800 C 0 0 0 0 0
28
+ 0.6580 275.7640 15.2900 C 0 0 0 0 0
29
+ -0.6350 276.2980 15.5230 N 0 0 0 0 0
30
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31
+ -1.0580 276.8520 14.4170 C 0 0 0 0 0
32
+ -0.1240 276.6820 13.4880 N 0 0 0 0 0
33
+ 4.4570 276.5230 14.9690 N 0 0 0 0 0
34
+ 5.3320 277.6930 14.7580 C 0 0 0 0 0
35
+ 6.7730 277.3440 15.2010 C 0 0 0 0 0
36
+ 7.0140 276.8210 16.6390 C 0 0 0 0 0
37
+ 8.4570 276.3450 16.8090 C 0 0 0 0 0
38
+ 6.6850 277.8720 17.7020 C 0 0 0 0 0
39
+ 5.2630 278.1460 13.2880 C 0 0 0 0 0
40
+ 5.6100 276.9900 12.4140 O 0 0 0 0 0
41
+ 3.9190 278.6940 12.7850 C 0 0 0 0 0
42
+ 3.6080 280.0890 13.3180 C 0 0 0 0 0
43
+ 2.9850 280.2590 14.3690 O 0 0 0 0 0
44
+ 4.0720 281.1410 12.5960 N 0 0 0 0 0
45
+ 3.8570 282.5410 13.0620 C 0 0 0 0 0
46
+ 2.3810 282.9190 12.8720 C 0 0 0 0 0
47
+ 1.7350 282.5630 11.8760 O 0 0 0 0 0
48
+ 4.7680 283.5350 12.3100 C 0 0 0 0 0
49
+ 4.4480 283.6190 10.8120 C 0 0 0 0 0
50
+ 4.7460 284.9400 12.9260 C 0 0 0 0 0
51
+ 1.9210 283.7460 13.8000 N 0 0 0 0 0
52
+ 0.6760 284.4830 13.6750 C 0 0 0 0 0
53
+ 0.9490 285.8490 13.0470 C 0 0 0 0 0
54
+ 1.6340 286.7020 13.5940 O 0 0 0 0 0
55
+ 0.0460 284.6940 15.0510 C 0 0 0 0 0
56
+ -0.2010 283.4450 15.9120 C 0 0 0 0 0
57
+ -1.2560 285.4920 14.8890 C 0 0 0 0 0
58
+ -0.4930 283.8310 17.3720 C 0 0 0 0 0
59
+ 0.4482 286.1071 11.9200 O 0 0 0 0 0
60
+ 2.8314 270.3320 22.3486 H 0 0 0 0 0
61
+ 3.7485 268.9271 22.3250 H 0 0 0 0 0
62
+ 4.0624 269.0341 20.1179 H 0 0 0 0 0
63
+ 2.0568 268.7951 18.7733 H 0 0 0 0 0
64
+ 1.2079 269.9840 19.6157 H 0 0 0 0 0
65
+ 1.8752 267.1657 20.5505 H 0 0 0 0 0
66
+ 0.3306 267.9874 20.6268 H 0 0 0 0 0
67
+ 1.8770 267.8035 22.8410 H 0 0 0 0 0
68
+ 0.9222 269.1893 22.5803 H 0 0 0 0 0
69
+ 4.5002 270.5311 18.5299 H 0 0 0 0 0
70
+ 4.4562 273.3140 19.4992 H 0 0 0 0 0
71
+ 6.2772 273.5617 17.7019 H 0 0 0 0 0
72
+ 6.1873 271.7425 17.5362 H 0 0 0 0 0
73
+ 7.8833 274.4173 19.0480 H 0 0 0 0 0
74
+ 6.6517 270.4457 19.9044 H 0 0 0 0 0
75
+ 9.4828 274.3009 20.8628 H 0 0 0 0 0
76
+ 8.3031 270.3278 21.6913 H 0 0 0 0 0
77
+ 9.7836 272.2249 22.1731 H 0 0 0 0 0
78
+ 3.9303 275.0606 18.0793 H 0 0 0 0 0
79
+ 3.1052 274.4674 15.2522 H 0 0 0 0 0
80
+ 1.2982 275.7590 17.2637 H 0 0 0 0 0
81
+ 1.0943 274.1094 16.4635 H 0 0 0 0 0
82
+ 1.8884 275.7810 13.4979 H 0 0 0 0 0
83
+ -2.0106 277.3639 14.2810 H 0 0 0 0 0
84
+ 4.5513 275.7301 14.3343 H 0 0 0 0 0
85
+ 4.9920 278.5311 15.3663 H 0 0 0 0 0
86
+ 7.3170 278.2873 15.1516 H 0 0 0 0 0
87
+ 7.0745 276.5229 14.5506 H 0 0 0 0 0
88
+ 6.3370 275.9791 16.7838 H 0 0 0 0 0
89
+ 8.6580 275.5391 16.1031 H 0 0 0 0 0
90
+ 9.1370 277.1752 16.6178 H 0 0 0 0 0
91
+ 8.6012 275.9826 17.8268 H 0 0 0 0 0
92
+ 7.3145 278.7490 17.5511 H 0 0 0 0 0
93
+ 5.6363 278.1569 17.6170 H 0 0 0 0 0
94
+ 6.8707 277.4559 18.6922 H 0 0 0 0 0
95
+ 5.9622 278.9809 13.2403 H 0 0 0 0 0
96
+ 5.5699 277.2623 11.4943 H 0 0 0 0 0
97
+ 3.1347 278.0224 13.1341 H 0 0 0 0 0
98
+ 3.9719 278.7577 11.6981 H 0 0 0 0 0
99
+ 4.5737 280.9716 11.7242 H 0 0 0 0 0
100
+ 4.1169 282.5970 14.1191 H 0 0 0 0 0
101
+ 5.7744 283.1307 12.4188 H 0 0 0 0 0
102
+ 4.5798 282.6369 10.3580 H 0 0 0 0 0
103
+ 3.4167 283.9463 10.6799 H 0 0 0 0 0
104
+ 5.1209 284.3333 10.3375 H 0 0 0 0 0
105
+ 3.7291 285.3314 12.8986 H 0 0 0 0 0
106
+ 5.0889 284.8877 13.9593 H 0 0 0 0 0
107
+ 5.4045 285.5955 12.3561 H 0 0 0 0 0
108
+ 2.4721 283.8718 14.6491 H 0 0 0 0 0
109
+ -0.0054 283.9100 13.0462 H 0 0 0 0 0
110
+ 0.8015 285.2402 15.6159 H 0 0 0 0 0
111
+ 0.6923 282.8209 15.8872 H 0 0 0 0 0
112
+ -1.0625 282.9098 15.5128 H 0 0 0 0 0
113
+ -1.0347 286.4574 14.4339 H 0 0 0 0 0
114
+ -1.9437 284.9371 14.2508 H 0 0 0 0 0
115
+ -1.7105 285.6459 15.8677 H 0 0 0 0 0
116
+ 0.3590 284.3748 17.7801 H 0 0 0 0 0
117
+ -1.3804 284.4629 17.4089 H 0 0 0 0 0
118
+ -0.6638 282.9279 17.9580 H 0 0 0 0 0
119
+ -0.0597 285.3513 11.6161 H 0 0 0 0 0
120
+ 2 1 1 0 0 0
121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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174
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178
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179
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191
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205
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209
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211
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212
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213
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214
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215
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216
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217
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218
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219
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221
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222
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223
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228
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229
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230
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231
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232
+ 53111 1 0 0 0
233
+ 54112 1 0 0 0
234
+ 54113 1 0 0 0
235
+ 54114 1 0 0 0
236
+ 55115 1 0 0 0
237
+ M END
238
+ $$$$
1gvu/1gvu_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gvu/1gvu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1j4q/1j4q_ligand.mol2 ADDED
@@ -0,0 +1,403 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1j4q_ligand
7
+ 194 193 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -15.7800 -24.1120 -17.4970 N.4 1 SER 0.2396
14
+ 2 CA -15.8380 -22.9570 -18.4310 C.3 1 SER 0.0885
15
+ 3 C -14.5510 -22.1420 -18.3820 C.2 1 SER 0.2290
16
+ 4 O -13.7420 -22.1900 -19.3080 O.2 1 SER -0.3906
17
+ 5 CB -17.0320 -22.0810 -18.0500 C.3 1 SER 0.1041
18
+ 6 OG -18.2000 -22.4730 -18.7520 O.3 1 SER -0.3870
19
+ 7 N -14.3690 -21.3970 -17.2920 N.am 1 LEU -0.2609
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+ 8 CA -13.1820 -20.5610 -17.1020 C.3 1 LEU 0.1313
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+ 9 C -12.8290 -19.7840 -18.3710 C.2 1 LEU 0.2039
22
+ 10 O -13.5760 -19.8000 -19.3510 O.2 1 LEU -0.3944
23
+ 11 CB -11.9830 -21.4070 -16.6390 C.3 1 LEU -0.0101
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+ 12 CG -11.7180 -22.6930 -17.4310 C.3 1 LEU -0.0425
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+ 13 CD1 -11.0600 -22.3820 -18.7680 C.3 1 LEU -0.0625
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+ 14 CD2 -10.8450 -23.6380 -16.6170 C.3 1 LEU -0.0625
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+ 15 N -11.6940 -19.0940 -18.3440 N.am 1 GLU -0.2636
28
+ 16 CA -11.2490 -18.3070 -19.4890 C.3 1 GLU 0.1325
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+ 17 C -9.7330 -18.1450 -19.4810 C.2 1 GLU 0.2040
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+ 18 O -9.2110 -17.0760 -19.7980 O.2 1 GLU -0.3944
31
+ 19 CB -11.9220 -16.9340 -19.4830 C.3 1 GLU -0.0008
32
+ 20 CG -11.9140 -16.2460 -20.8390 C.3 1 GLU 0.0044
33
+ 21 CD -12.9470 -16.8190 -21.7890 C.2 1 GLU 0.0350
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+ 22 OE1 -12.5590 -17.5830 -22.6970 O.co2 1 GLU -0.5690
35
+ 23 OE2 -14.1450 -16.5030 -21.6250 O.co2 1 GLU -0.5690
36
+ 24 N -9.0300 -19.2130 -19.1180 N.am 1 VAL -0.2635
37
+ 25 CA -7.5730 -19.1900 -19.0690 C.3 1 VAL 0.1333
38
+ 26 C -6.9840 -18.8120 -20.4240 C.2 1 VAL 0.2042
39
+ 27 O -7.3270 -19.4000 -21.4480 O.2 1 VAL -0.3944
40
+ 28 CB -7.0030 -20.5540 -18.6390 C.3 1 VAL -0.0063
41
+ 29 CG1 -5.5030 -20.4550 -18.4030 C.3 1 VAL -0.0584
42
+ 30 CG2 -7.7140 -21.0600 -17.3930 C.3 1 VAL -0.0584
43
+ 31 N -6.0930 -17.8260 -20.4190 N.am 1 TPO -0.2611
44
+ 32 CA -5.4540 -17.3690 -21.6470 C.3 1 TPO 0.1612
45
+ 33 CB -4.4920 -16.1890 -21.3810 C.3 1 TPO 0.1262
46
+ 34 CG2 -3.8120 -15.7410 -22.6680 C.3 1 TPO -0.0298
47
+ 35 OG1 -5.1960 -15.1070 -20.8250 O.3 1 TPO -0.2685
48
+ 36 P -5.3080 -14.9870 -19.2670 P.3 1 TPO 0.2014
49
+ 37 O1P -6.7630 -15.4190 -18.9460 O.co2 1 TPO -0.5537
50
+ 38 O2P -4.3300 -16.0490 -18.6990 O.co2 1 TPO -0.5537
51
+ 39 O3P -4.9980 -13.6070 -18.7710 O.co2 1 TPO -0.5537
52
+ 40 C -4.6820 -18.5070 -22.3100 C.2 1 TPO 0.2068
53
+ 41 O -3.7880 -19.0980 -21.7050 O.2 1 TPO -0.3943
54
+ 42 N -5.0380 -18.8100 -23.5540 N.am 1 GLU -0.2635
55
+ 43 CA -4.3820 -19.8800 -24.3000 C.3 1 GLU 0.1325
56
+ 44 C -2.8730 -19.6650 -24.3550 C.2 1 GLU 0.2040
57
+ 45 O -2.3830 -18.8270 -25.1120 O.2 1 GLU -0.3944
58
+ 46 CB -4.9500 -19.9620 -25.7180 C.3 1 GLU -0.0008
59
+ 47 CG -5.0700 -21.3830 -26.2440 C.3 1 GLU 0.0044
60
+ 48 CD -5.6520 -21.4390 -27.6430 C.2 1 GLU 0.0350
61
+ 49 OE1 -5.4640 -22.4680 -28.3250 O.co2 1 GLU -0.5690
62
+ 50 OE2 -6.2970 -20.4520 -28.0580 O.co2 1 GLU -0.5690
63
+ 51 N -2.1400 -20.4260 -23.5480 N.am 1 ALA -0.2640
64
+ 52 CA -0.6870 -20.3190 -23.5040 C.3 1 ALA 0.1282
65
+ 53 C -0.0270 -21.6270 -23.9280 C.2 1 ALA 0.2037
66
+ 54 O -0.4230 -22.7060 -23.4860 O.2 1 ALA -0.3944
67
+ 55 CB -0.2290 -19.9230 -22.1080 C.3 1 ALA -0.0244
68
+ 56 N 0.9810 -21.5240 -24.7890 N.am 1 ASP -0.2622
69
+ 57 CA 1.6960 -22.6990 -25.2720 C.3 1 ASP 0.1423
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+ 58 C 2.3570 -23.4470 -24.1190 C.2 1 ASP 0.2056
71
+ 59 O 2.5050 -22.9090 -23.0210 O.2 1 ASP -0.3943
72
+ 60 CB 2.7520 -22.2910 -26.3010 C.3 1 ASP 0.0406
73
+ 61 CG 2.1380 -21.7370 -27.5710 C.2 1 ASP 0.0393
74
+ 62 OD1 2.8520 -21.0370 -28.3200 O.co2 1 ASP -0.5688
75
+ 63 OD2 0.9430 -22.0040 -27.8190 O.co2 1 ASP -0.5688
76
+ 64 N 2.7500 -24.6900 -24.3740 N.am 1 ALA -0.2639
77
+ 65 CA 3.3950 -25.5120 -23.3570 C.3 1 ALA 0.1282
78
+ 66 C 4.6930 -26.1180 -23.8810 C.2 1 ALA 0.2037
79
+ 67 O 4.9370 -27.3150 -23.7350 O.2 1 ALA -0.3944
80
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+ 69 N 5.5240 -25.2790 -24.4940 N.am 1 THR -0.2613
82
+ 70 CA 6.7990 -25.7300 -25.0410 C.3 1 THR 0.1565
83
+ 71 C 7.9580 -25.2890 -24.1520 C.2 1 THR 0.2065
84
+ 72 O 8.9550 -24.7510 -24.6350 O.2 1 THR -0.3943
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+ 73 CB 6.9890 -25.1880 -26.4590 C.3 1 THR 0.0924
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+ 74 OG1 7.1640 -23.7830 -26.4380 O.3 1 THR -0.3874
87
+ 75 CG2 5.8270 -25.4930 -27.3770 C.3 1 THR -0.0346
88
+ 76 N 7.8210 -25.5300 -22.8480 N.am 1 PHE -0.2636
89
+ 77 CA 8.8450 -25.1720 -21.8770 C.3 1 PHE 0.1312
90
+ 78 C 9.4490 -23.7980 -22.1690 C.2 1 PHE 0.2039
91
+ 79 O 10.6640 -23.6130 -22.1030 O.2 1 PHE -0.3944
92
+ 80 CB 9.9280 -26.2510 -21.8480 C.3 1 PHE -0.0101
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+ 81 CG 10.9690 -26.1370 -22.9820 C.3 1 PHE -0.0425
94
+ 82 CD1 12.3560 -25.8190 -22.9880 C.3 1 PHE -0.0625
95
+ 83 CD2 11.7250 -27.2110 -23.4020 C.3 1 PHE -0.0625
96
+ 84 N 8.5830 -22.8390 -22.4870 N.am 1 VAL -0.2635
97
+ 85 CA 9.0050 -21.4710 -22.7890 C.3 1 VAL 0.1332
98
+ 86 C 10.2730 -21.4430 -23.6410 C.2 1 VAL 0.2036
99
+ 87 O 11.3650 -21.1770 -23.1390 O.2 1 VAL -0.3944
100
+ 88 CB 9.2430 -20.6510 -21.5030 C.3 1 VAL -0.0063
101
+ 89 CG1 7.9180 -20.2690 -20.8620 C.3 1 VAL -0.0584
102
+ 90 CG2 10.1130 -21.4230 -20.5220 C.3 1 VAL -0.0584
103
+ 91 N 10.1180 -21.7210 -24.9310 N.am 1 GLN -0.2693
104
+ 92 CA 11.2490 -21.7280 -25.8530 C.3 1 GLN 0.0964
105
+ 93 C 11.6270 -20.3080 -26.2600 C.2 1 GLN 0.0602
106
+ 94 O 10.7250 -19.5540 -26.6810 O.co2 1 GLN -0.5666
107
+ 95 CB 10.9160 -22.5570 -27.0950 C.3 1 GLN -0.0010
108
+ 96 CG 11.1250 -24.0500 -26.9030 C.3 1 GLN 0.0407
109
+ 97 CD 10.4340 -24.8770 -27.9700 C.2 1 GLN 0.1737
110
+ 98 OE1 9.9790 -24.3470 -28.9840 O.2 1 GLN -0.3973
111
+ 99 NE2 10.3500 -26.1820 -27.7450 N.am 1 GLN -0.3009
112
+ 100 OXT 12.8220 -19.9620 -26.1550 O.co2 1 GLN -0.5666
113
+ 101 H1 -16.6423 -24.6312 -17.5508 H 1 SER 0.2016
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+ 102 H2 -15.6480 -23.7766 -16.5557 H 1 SER 0.2016
115
+ 103 H3 -15.0105 -24.7114 -17.7512 H 1 SER 0.2016
116
+ 104 H4 -15.9778 -23.3324 -19.4554 H 1 SER 0.1122
117
+ 105 H5 -16.8011 -21.0336 -18.2943 H 1 SER 0.0640
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+ 106 H6 -17.2148 -22.1738 -16.9693 H 1 SER 0.0640
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+ 107 H7 -18.9242 -21.9136 -18.4968 H 1 SER 0.2099
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+ 109 H9 -13.4087 -19.8307 -16.3113 H 1 LEU 0.0800
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+ 110 H10 -12.1555 -21.6883 -15.5897 H 1 LEU 0.0315
123
+ 111 H11 -11.0825 -20.7790 -16.7070 H 1 LEU 0.0315
124
+ 112 H12 -12.6815 -23.1869 -17.6252 H 1 LEU 0.0298
125
+ 113 H13 -10.8810 -23.3192 -19.3153 H 1 LEU 0.0232
126
+ 114 H14 -10.1021 -21.8698 -18.5949 H 1 LEU 0.0232
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+ 115 H15 -11.7215 -21.7324 -19.3599 H 1 LEU 0.0232
128
+ 116 H16 -11.3342 -23.8522 -15.6553 H 1 LEU 0.0232
129
+ 117 H17 -9.8673 -23.1682 -16.4343 H 1 LEU 0.0232
130
+ 118 H18 -10.7028 -24.5764 -17.1731 H 1 LEU 0.0232
131
+ 119 H19 -11.1306 -19.1146 -17.5181 H 1 GLU 0.1883
132
+ 120 H20 -11.5387 -18.8361 -20.4088 H 1 GLU 0.0801
133
+ 121 H21 -11.3937 -16.2909 -18.7637 H 1 GLU 0.0330
134
+ 122 H22 -12.9669 -17.0603 -19.1634 H 1 GLU 0.0330
135
+ 123 H23 -10.9173 -16.3652 -21.2888 H 1 GLU 0.0433
136
+ 124 H24 -12.1248 -15.1764 -20.6927 H 1 GLU 0.0433
137
+ 125 H25 -9.5126 -20.0536 -18.8723 H 1 VAL 0.1883
138
+ 126 H26 -7.2674 -18.4345 -18.3302 H 1 VAL 0.0802
139
+ 127 H27 -7.1775 -21.2739 -19.4521 H 1 VAL 0.0343
140
+ 128 H28 -5.1144 -21.4375 -18.0971 H 1 VAL 0.0234
141
+ 129 H29 -5.3043 -19.7190 -17.6100 H 1 VAL 0.0234
142
+ 130 H30 -5.0059 -20.1370 -19.3313 H 1 VAL 0.0234
143
+ 131 H31 -8.7948 -21.1230 -17.5877 H 1 VAL 0.0234
144
+ 132 H32 -7.5315 -20.3660 -16.5593 H 1 VAL 0.0234
145
+ 133 H33 -7.3300 -22.0569 -17.1310 H 1 VAL 0.0234
146
+ 134 H34 -5.8553 -17.3872 -19.5524 H 1 TPO 0.1884
147
+ 135 H35 -6.2403 -17.0289 -22.3370 H 1 TPO 0.0830
148
+ 136 H36 -3.7210 -16.5175 -20.6685 H 1 TPO 0.0695
149
+ 137 H37 -3.1342 -14.9021 -22.4517 H 1 TPO 0.0260
150
+ 138 H38 -4.5744 -15.4190 -23.3926 H 1 TPO 0.0260
151
+ 139 H39 -3.2362 -16.5783 -23.0892 H 1 TPO 0.0260
152
+ 140 H40 -5.7738 -18.2920 -23.9902 H 1 GLU 0.1883
153
+ 141 H41 -4.5796 -20.8327 -23.7869 H 1 GLU 0.0801
154
+ 142 H42 -4.2884 -19.3968 -26.3909 H 1 GLU 0.0330
155
+ 143 H43 -5.9507 -19.5052 -25.7188 H 1 GLU 0.0330
156
+ 144 H44 -5.7222 -21.9552 -25.5679 H 1 GLU 0.0433
157
+ 145 H45 -4.0689 -21.8385 -26.2603 H 1 GLU 0.0433
158
+ 146 H46 -2.5975 -21.0892 -22.9557 H 1 ALA 0.1883
159
+ 147 H47 -0.3773 -19.5324 -24.2078 H 1 ALA 0.0797
160
+ 148 H48 0.8682 -19.8462 -22.0901 H 1 ALA 0.0277
161
+ 149 H49 -0.5550 -20.6853 -21.3851 H 1 ALA 0.0277
162
+ 150 H50 -0.6689 -18.9512 -21.8396 H 1 ALA 0.0277
163
+ 151 H51 1.2553 -20.6186 -25.1131 H 1 ASP 0.1884
164
+ 152 H52 0.9733 -23.3718 -25.7568 H 1 ASP 0.0819
165
+ 153 H53 3.3557 -23.1742 -26.5568 H 1 ASP 0.0478
166
+ 154 H54 3.3992 -21.5206 -25.8565 H 1 ASP 0.0478
167
+ 155 H55 2.5998 -25.0715 -25.2861 H 1 ALA 0.1883
168
+ 156 H56 3.6373 -24.8698 -22.4974 H 1 ALA 0.0797
169
+ 157 H57 2.9494 -27.2184 -22.1209 H 1 ALA 0.0277
170
+ 158 H58 2.1726 -27.2432 -23.7404 H 1 ALA 0.0277
171
+ 159 H59 1.5446 -26.1515 -22.4596 H 1 ALA 0.0277
172
+ 160 H60 5.2685 -24.3162 -24.5819 H 1 THR 0.1884
173
+ 161 H61 6.7904 -26.8291 -25.0836 H 1 THR 0.0826
174
+ 162 H62 7.8932 -25.6534 -26.8783 H 1 THR 0.0639
175
+ 163 H63 7.9315 -23.5683 -25.9211 H 1 THR 0.2101
176
+ 164 H64 6.0291 -25.0767 -28.3749 H 1 THR 0.0257
177
+ 165 H65 4.9100 -25.0416 -26.9702 H 1 THR 0.0257
178
+ 166 H66 5.6965 -26.5825 -27.4538 H 1 THR 0.0257
179
+ 167 H67 6.9845 -25.9727 -22.5251 H 1 PHE 0.1883
180
+ 168 H68 8.3742 -25.1293 -20.8838 H 1 PHE 0.0800
181
+ 169 H69 9.4383 -27.2328 -21.9274 H 1 PHE 0.0315
182
+ 170 H70 10.4574 -26.1820 -20.8863 H 1 PHE 0.0315
183
+ 171 H71 10.4204 -25.6160 -23.7805 H 1 PHE 0.0298
184
+ 172 H72 12.7339 -25.8462 -24.0207 H 1 PHE 0.0232
185
+ 173 H73 12.9031 -26.5528 -22.3780 H 1 PHE 0.0232
186
+ 174 H74 12.5032 -24.8122 -22.5701 H 1 PHE 0.0232
187
+ 175 H75 12.3935 -26.8930 -24.2156 H 1 PHE 0.0232
188
+ 176 H76 11.0596 -28.0083 -23.7647 H 1 PHE 0.0232
189
+ 177 H77 12.3250 -27.5884 -22.5608 H 1 PHE 0.0232
190
+ 178 H78 7.6086 -23.0613 -22.5208 H 1 VAL 0.1883
191
+ 179 H79 8.1969 -20.9899 -23.3594 H 1 VAL 0.0802
192
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193
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197
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198
+ 186 H86 10.3127 -20.7984 -19.6388 H 1 VAL 0.0234
199
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200
+ 188 H88 12.1099 -22.1867 -25.3447 H 1 GLN 0.0727
201
+ 189 H89 11.5587 -22.2192 -27.9214 H 1 GLN 0.0330
202
+ 190 H90 9.8616 -22.3841 -27.3563 H 1 GLN 0.0330
203
+ 191 H91 10.7250 -24.3383 -25.9197 H 1 GLN 0.0504
204
+ 192 H92 12.2038 -24.2620 -26.9365 H 1 GLN 0.0504
205
+ 193 H93 9.9048 -26.7771 -28.4141 H 1 GLN 0.1814
206
+ 194 H94 10.7319 -26.5704 -26.9064 H 1 GLN 0.1814
207
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+ M END
405
+ $$$$
1j4q/1j4q_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1203 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 12.276 -3.435 -44.244 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 12.451 -2.123 -44.862 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 11.243 -1.227 -44.599 1.00 0.00 C
5
+ ATOM 4 CB ALA A 1 12.686 -2.268 -46.363 1.00 0.00 C
6
+ ATOM 5 O ALA A 1 11.394 -0.034 -44.331 1.00 0.00 O
7
+ ATOM 6 N THR A 2 9.977 -1.820 -44.774 1.00 0.00 N
8
+ ATOM 7 CA THR A 2 8.717 -1.099 -44.644 1.00 0.00 C
9
+ ATOM 8 C THR A 2 8.551 -0.551 -43.229 1.00 0.00 C
10
+ ATOM 9 CB THR A 2 7.518 -2.001 -44.991 1.00 0.00 C
11
+ ATOM 10 O THR A 2 8.139 0.595 -43.045 1.00 0.00 O
12
+ ATOM 11 CG2 THR A 2 6.373 -1.189 -45.588 1.00 0.00 C
13
+ ATOM 12 OG1 THR A 2 7.932 -2.991 -45.940 1.00 0.00 O
14
+ ATOM 13 N GLN A 3 8.956 -1.293 -42.199 1.00 0.00 N
15
+ ATOM 14 CA GLN A 3 8.749 -0.820 -40.834 1.00 0.00 C
16
+ ATOM 15 C GLN A 3 9.567 0.437 -40.557 1.00 0.00 C
17
+ ATOM 16 CB GLN A 3 9.108 -1.913 -39.826 1.00 0.00 C
18
+ ATOM 17 O GLN A 3 9.063 1.395 -39.967 1.00 0.00 O
19
+ ATOM 18 CG GLN A 3 7.920 -2.758 -39.386 1.00 0.00 C
20
+ ATOM 19 CD GLN A 3 8.274 -3.736 -38.281 1.00 0.00 C
21
+ ATOM 20 NE2 GLN A 3 7.273 -4.457 -37.785 1.00 0.00 N
22
+ ATOM 21 OE1 GLN A 3 9.436 -3.846 -37.879 1.00 0.00 O
23
+ ATOM 22 N ARG A 4 10.866 0.369 -40.958 1.00 0.00 N
24
+ ATOM 23 CA ARG A 4 11.704 1.555 -40.817 1.00 0.00 C
25
+ ATOM 24 C ARG A 4 11.115 2.735 -41.583 1.00 0.00 C
26
+ ATOM 25 CB ARG A 4 13.126 1.271 -41.307 1.00 0.00 C
27
+ ATOM 26 O ARG A 4 11.183 3.877 -41.122 1.00 0.00 O
28
+ ATOM 27 CG ARG A 4 14.201 2.037 -40.553 1.00 0.00 C
29
+ ATOM 28 CD ARG A 4 15.599 1.610 -40.978 1.00 0.00 C
30
+ ATOM 29 NE ARG A 4 16.632 2.348 -40.254 1.00 0.00 N
31
+ ATOM 30 NH1 ARG A 4 18.399 1.156 -41.144 1.00 0.00 N
32
+ ATOM 31 NH2 ARG A 4 18.789 2.847 -39.645 1.00 0.00 N
33
+ ATOM 32 CZ ARG A 4 17.938 2.115 -40.350 1.00 0.00 C
34
+ ATOM 33 N PHE A 5 10.644 2.444 -42.718 1.00 0.00 N
35
+ ATOM 34 CA PHE A 5 10.032 3.483 -43.538 1.00 0.00 C
36
+ ATOM 35 C PHE A 5 8.812 4.073 -42.843 1.00 0.00 C
37
+ ATOM 36 CB PHE A 5 9.637 2.924 -44.908 1.00 0.00 C
38
+ ATOM 37 O PHE A 5 8.653 5.294 -42.787 1.00 0.00 O
39
+ ATOM 38 CG PHE A 5 8.990 3.937 -45.813 1.00 0.00 C
40
+ ATOM 39 CD1 PHE A 5 9.757 4.880 -46.484 1.00 0.00 C
41
+ ATOM 40 CD2 PHE A 5 7.612 3.946 -45.993 1.00 0.00 C
42
+ ATOM 41 CE1 PHE A 5 9.162 5.819 -47.323 1.00 0.00 C
43
+ ATOM 42 CE2 PHE A 5 7.009 4.881 -46.830 1.00 0.00 C
44
+ ATOM 43 CZ PHE A 5 7.785 5.818 -47.493 1.00 0.00 C
45
+ ATOM 44 N LEU A 6 7.870 3.194 -42.375 1.00 0.00 N
46
+ ATOM 45 CA LEU A 6 6.719 3.693 -41.630 1.00 0.00 C
47
+ ATOM 46 C LEU A 6 7.165 4.475 -40.400 1.00 0.00 C
48
+ ATOM 47 CB LEU A 6 5.810 2.535 -41.211 1.00 0.00 C
49
+ ATOM 48 O LEU A 6 6.618 5.540 -40.105 1.00 0.00 O
50
+ ATOM 49 CG LEU A 6 4.963 1.902 -42.317 1.00 0.00 C
51
+ ATOM 50 CD1 LEU A 6 4.336 0.602 -41.826 1.00 0.00 C
52
+ ATOM 51 CD2 LEU A 6 3.889 2.875 -42.791 1.00 0.00 C
53
+ ATOM 52 N ILE A 7 8.220 4.007 -39.793 1.00 0.00 N
54
+ ATOM 53 CA ILE A 7 8.815 4.709 -38.661 1.00 0.00 C
55
+ ATOM 54 C ILE A 7 9.324 6.077 -39.111 1.00 0.00 C
56
+ ATOM 55 CB ILE A 7 9.965 3.890 -38.031 1.00 0.00 C
57
+ ATOM 56 O ILE A 7 9.067 7.088 -38.455 1.00 0.00 O
58
+ ATOM 57 CG1 ILE A 7 9.414 2.634 -37.347 1.00 0.00 C
59
+ ATOM 58 CG2 ILE A 7 10.759 4.749 -37.041 1.00 0.00 C
60
+ ATOM 59 CD1 ILE A 7 10.488 1.666 -36.871 1.00 0.00 C
61
+ ATOM 60 N GLU A 8 10.082 6.114 -40.131 1.00 0.00 N
62
+ ATOM 61 CA GLU A 8 10.618 7.364 -40.661 1.00 0.00 C
63
+ ATOM 62 C GLU A 8 9.500 8.276 -41.158 1.00 0.00 C
64
+ ATOM 63 CB GLU A 8 11.613 7.088 -41.791 1.00 0.00 C
65
+ ATOM 64 O GLU A 8 9.517 9.483 -40.905 1.00 0.00 O
66
+ ATOM 65 CG GLU A 8 13.031 6.818 -41.309 1.00 0.00 C
67
+ ATOM 66 CD GLU A 8 14.001 6.510 -42.439 1.00 0.00 C
68
+ ATOM 67 OE1 GLU A 8 13.576 6.499 -43.617 1.00 0.00 O
69
+ ATOM 68 OE2 GLU A 8 15.194 6.278 -42.145 1.00 0.00 O
70
+ ATOM 69 N LYS A 9 8.591 7.713 -41.948 1.00 0.00 N
71
+ ATOM 70 CA LYS A 9 7.487 8.499 -42.491 1.00 0.00 C
72
+ ATOM 71 C LYS A 9 6.612 9.060 -41.373 1.00 0.00 C
73
+ ATOM 72 CB LYS A 9 6.642 7.654 -43.444 1.00 0.00 C
74
+ ATOM 73 O LYS A 9 6.200 10.221 -41.424 1.00 0.00 O
75
+ ATOM 74 CG LYS A 9 5.795 8.470 -44.409 1.00 0.00 C
76
+ ATOM 75 CD LYS A 9 4.916 7.576 -45.275 1.00 0.00 C
77
+ ATOM 76 CE LYS A 9 3.994 8.395 -46.169 1.00 0.00 C
78
+ ATOM 77 NZ LYS A 9 3.165 7.523 -47.055 1.00 0.00 N
79
+ ATOM 78 N PHE A 10 6.352 8.246 -40.450 1.00 0.00 N
80
+ ATOM 79 CA PHE A 10 5.524 8.707 -39.341 1.00 0.00 C
81
+ ATOM 80 C PHE A 10 6.304 9.661 -38.444 1.00 0.00 C
82
+ ATOM 81 CB PHE A 10 5.010 7.519 -38.523 1.00 0.00 C
83
+ ATOM 82 O PHE A 10 5.730 10.584 -37.863 1.00 0.00 O
84
+ ATOM 83 CG PHE A 10 3.785 6.867 -39.106 1.00 0.00 C
85
+ ATOM 84 CD1 PHE A 10 2.550 7.502 -39.055 1.00 0.00 C
86
+ ATOM 85 CD2 PHE A 10 3.869 5.616 -39.705 1.00 0.00 C
87
+ ATOM 86 CE1 PHE A 10 1.416 6.899 -39.593 1.00 0.00 C
88
+ ATOM 87 CE2 PHE A 10 2.740 5.008 -40.245 1.00 0.00 C
89
+ ATOM 88 CZ PHE A 10 1.513 5.651 -40.187 1.00 0.00 C
90
+ ATOM 89 N SER A 11 7.561 9.421 -38.221 1.00 0.00 N
91
+ ATOM 90 CA SER A 11 8.364 10.378 -37.467 1.00 0.00 C
92
+ ATOM 91 C SER A 11 8.294 11.769 -38.088 1.00 0.00 C
93
+ ATOM 92 CB SER A 11 9.821 9.916 -37.395 1.00 0.00 C
94
+ ATOM 93 O SER A 11 8.246 12.771 -37.373 1.00 0.00 O
95
+ ATOM 94 OG SER A 11 10.504 10.217 -38.599 1.00 0.00 O
96
+ ATOM 95 N GLN A 12 8.180 11.853 -39.410 1.00 0.00 N
97
+ ATOM 96 CA GLN A 12 8.422 13.149 -40.036 1.00 0.00 C
98
+ ATOM 97 C GLN A 12 7.111 13.881 -40.310 1.00 0.00 C
99
+ ATOM 98 CB GLN A 12 9.208 12.978 -41.337 1.00 0.00 C
100
+ ATOM 99 O GLN A 12 7.044 15.107 -40.199 1.00 0.00 O
101
+ ATOM 100 CG GLN A 12 10.695 12.718 -41.127 1.00 0.00 C
102
+ ATOM 101 CD GLN A 12 11.539 13.148 -42.311 1.00 0.00 C
103
+ ATOM 102 NE2 GLN A 12 12.856 13.055 -42.165 1.00 0.00 N
104
+ ATOM 103 OE1 GLN A 12 11.012 13.560 -43.349 1.00 0.00 O
105
+ ATOM 104 N GLU A 13 6.023 13.174 -40.686 1.00 0.00 N
106
+ ATOM 105 CA GLU A 13 4.907 13.893 -41.294 1.00 0.00 C
107
+ ATOM 106 C GLU A 13 3.772 14.099 -40.295 1.00 0.00 C
108
+ ATOM 107 CB GLU A 13 4.393 13.144 -42.527 1.00 0.00 C
109
+ ATOM 108 O GLU A 13 3.074 15.113 -40.340 1.00 0.00 O
110
+ ATOM 109 CG GLU A 13 5.223 13.378 -43.779 1.00 0.00 C
111
+ ATOM 110 CD GLU A 13 4.632 12.728 -45.021 1.00 0.00 C
112
+ ATOM 111 OE1 GLU A 13 3.580 12.059 -44.914 1.00 0.00 O
113
+ ATOM 112 OE2 GLU A 13 5.227 12.890 -46.110 1.00 0.00 O
114
+ ATOM 113 N GLN A 14 3.645 13.279 -39.268 1.00 0.00 N
115
+ ATOM 114 CA GLN A 14 2.350 13.217 -38.598 1.00 0.00 C
116
+ ATOM 115 C GLN A 14 2.500 13.406 -37.091 1.00 0.00 C
117
+ ATOM 116 CB GLN A 14 1.654 11.889 -38.895 1.00 0.00 C
118
+ ATOM 117 O GLN A 14 1.511 13.381 -36.356 1.00 0.00 O
119
+ ATOM 118 CG GLN A 14 1.032 11.817 -40.283 1.00 0.00 C
120
+ ATOM 119 CD GLN A 14 -0.146 10.863 -40.350 1.00 0.00 C
121
+ ATOM 120 NE2 GLN A 14 -0.984 11.027 -41.368 1.00 0.00 N
122
+ ATOM 121 OE1 GLN A 14 -0.300 9.986 -39.496 1.00 0.00 O
123
+ ATOM 122 N ILE A 15 3.734 13.730 -36.677 1.00 0.00 N
124
+ ATOM 123 CA ILE A 15 3.815 13.919 -35.232 1.00 0.00 C
125
+ ATOM 124 C ILE A 15 3.481 15.367 -34.882 1.00 0.00 C
126
+ ATOM 125 CB ILE A 15 5.212 13.545 -34.690 1.00 0.00 C
127
+ ATOM 126 O ILE A 15 4.239 16.282 -35.212 1.00 0.00 O
128
+ ATOM 127 CG1 ILE A 15 5.556 12.097 -35.056 1.00 0.00 C
129
+ ATOM 128 CG2 ILE A 15 5.279 13.758 -33.176 1.00 0.00 C
130
+ ATOM 129 CD1 ILE A 15 6.977 11.687 -34.690 1.00 0.00 C
131
+ ATOM 130 N GLY A 16 2.320 15.820 -35.204 1.00 0.00 N
132
+ ATOM 131 CA GLY A 16 1.881 17.103 -34.676 1.00 0.00 C
133
+ ATOM 132 C GLY A 16 2.447 17.408 -33.303 1.00 0.00 C
134
+ ATOM 133 O GLY A 16 3.027 16.534 -32.657 1.00 0.00 O
135
+ ATOM 134 N GLU A 17 2.959 18.696 -33.091 1.00 0.00 N
136
+ ATOM 135 CA GLU A 17 3.567 19.253 -31.887 1.00 0.00 C
137
+ ATOM 136 C GLU A 17 2.987 18.614 -30.628 1.00 0.00 C
138
+ ATOM 137 CB GLU A 17 3.377 20.771 -31.841 1.00 0.00 C
139
+ ATOM 138 O GLU A 17 3.626 18.615 -29.573 1.00 0.00 O
140
+ ATOM 139 CG GLU A 17 4.293 21.535 -32.786 1.00 0.00 C
141
+ ATOM 140 CD GLU A 17 4.204 23.044 -32.620 1.00 0.00 C
142
+ ATOM 141 OE1 GLU A 17 3.412 23.515 -31.772 1.00 0.00 O
143
+ ATOM 142 OE2 GLU A 17 4.931 23.760 -33.343 1.00 0.00 O
144
+ ATOM 143 N ASN A 18 1.802 17.965 -30.761 1.00 0.00 N
145
+ ATOM 144 CA ASN A 18 1.081 17.469 -29.593 1.00 0.00 C
146
+ ATOM 145 C ASN A 18 1.134 15.946 -29.507 1.00 0.00 C
147
+ ATOM 146 CB ASN A 18 -0.371 17.950 -29.613 1.00 0.00 C
148
+ ATOM 147 O ASN A 18 0.489 15.346 -28.646 1.00 0.00 O
149
+ ATOM 148 CG ASN A 18 -0.494 19.444 -29.390 1.00 0.00 C
150
+ ATOM 149 ND2 ASN A 18 -1.545 20.042 -29.940 1.00 0.00 N
151
+ ATOM 150 OD1 ASN A 18 0.349 20.058 -28.730 1.00 0.00 O
152
+ ATOM 151 N ILE A 19 1.737 15.338 -30.520 1.00 0.00 N
153
+ ATOM 152 CA ILE A 19 1.807 13.881 -30.515 1.00 0.00 C
154
+ ATOM 153 C ILE A 19 3.050 13.426 -29.755 1.00 0.00 C
155
+ ATOM 154 CB ILE A 19 1.818 13.311 -31.951 1.00 0.00 C
156
+ ATOM 155 O ILE A 19 4.168 13.832 -30.081 1.00 0.00 O
157
+ ATOM 156 CG1 ILE A 19 0.551 13.733 -32.703 1.00 0.00 C
158
+ ATOM 157 CG2 ILE A 19 1.960 11.786 -31.927 1.00 0.00 C
159
+ ATOM 158 CD1 ILE A 19 0.452 13.168 -34.114 1.00 0.00 C
160
+ ATOM 159 N VAL A 20 2.822 12.818 -28.626 1.00 0.00 N
161
+ ATOM 160 CA VAL A 20 3.876 12.510 -27.665 1.00 0.00 C
162
+ ATOM 161 C VAL A 20 4.418 11.107 -27.924 1.00 0.00 C
163
+ ATOM 162 CB VAL A 20 3.369 12.626 -26.210 1.00 0.00 C
164
+ ATOM 163 O VAL A 20 5.632 10.909 -28.008 1.00 0.00 O
165
+ ATOM 164 CG1 VAL A 20 4.501 12.352 -25.221 1.00 0.00 C
166
+ ATOM 165 CG2 VAL A 20 2.764 14.007 -25.964 1.00 0.00 C
167
+ ATOM 166 N CYS A 21 3.456 10.092 -28.170 1.00 0.00 N
168
+ ATOM 167 CA CYS A 21 3.831 8.684 -28.244 1.00 0.00 C
169
+ ATOM 168 C CYS A 21 2.793 7.885 -29.025 1.00 0.00 C
170
+ ATOM 169 CB CYS A 21 3.991 8.098 -26.843 1.00 0.00 C
171
+ ATOM 170 O CYS A 21 1.590 8.050 -28.816 1.00 0.00 O
172
+ ATOM 171 SG CYS A 21 4.476 6.357 -26.833 1.00 0.00 S
173
+ ATOM 172 N ARG A 22 3.237 7.163 -30.040 1.00 0.00 N
174
+ ATOM 173 CA ARG A 22 2.372 6.272 -30.806 1.00 0.00 C
175
+ ATOM 174 C ARG A 22 2.844 4.825 -30.700 1.00 0.00 C
176
+ ATOM 175 CB ARG A 22 2.322 6.700 -32.274 1.00 0.00 C
177
+ ATOM 176 O ARG A 22 4.048 4.560 -30.682 1.00 0.00 O
178
+ ATOM 177 CG ARG A 22 1.511 7.962 -32.520 1.00 0.00 C
179
+ ATOM 178 CD ARG A 22 1.422 8.295 -34.003 1.00 0.00 C
180
+ ATOM 179 NE ARG A 22 0.838 9.615 -34.225 1.00 0.00 N
181
+ ATOM 180 NH1 ARG A 22 1.149 9.596 -36.514 1.00 0.00 N
182
+ ATOM 181 NH2 ARG A 22 0.173 11.406 -35.500 1.00 0.00 N
183
+ ATOM 182 CZ ARG A 22 0.721 10.203 -35.412 1.00 0.00 C
184
+ ATOM 183 N VAL A 23 1.841 4.128 -30.543 1.00 0.00 N
185
+ ATOM 184 CA VAL A 23 2.075 2.692 -30.645 1.00 0.00 C
186
+ ATOM 185 C VAL A 23 1.405 2.146 -31.903 1.00 0.00 C
187
+ ATOM 186 CB VAL A 23 1.558 1.941 -29.398 1.00 0.00 C
188
+ ATOM 187 O VAL A 23 0.186 2.259 -32.063 1.00 0.00 O
189
+ ATOM 188 CG1 VAL A 23 1.874 0.450 -29.495 1.00 0.00 C
190
+ ATOM 189 CG2 VAL A 23 2.164 2.537 -28.128 1.00 0.00 C
191
+ ATOM 190 N ILE A 24 2.207 1.832 -32.839 1.00 0.00 N
192
+ ATOM 191 CA ILE A 24 1.690 1.404 -34.134 1.00 0.00 C
193
+ ATOM 192 C ILE A 24 1.813 -0.112 -34.263 1.00 0.00 C
194
+ ATOM 193 CB ILE A 24 2.430 2.103 -35.296 1.00 0.00 C
195
+ ATOM 194 O ILE A 24 2.907 -0.666 -34.128 1.00 0.00 O
196
+ ATOM 195 CG1 ILE A 24 2.343 3.626 -35.146 1.00 0.00 C
197
+ ATOM 196 CG2 ILE A 24 1.862 1.654 -36.645 1.00 0.00 C
198
+ ATOM 197 CD1 ILE A 24 3.129 4.398 -36.196 1.00 0.00 C
199
+ ATOM 198 N CYS A 25 0.723 -0.747 -34.473 1.00 0.00 N
200
+ ATOM 199 CA CYS A 25 0.720 -2.175 -34.768 1.00 0.00 C
201
+ ATOM 200 C CYS A 25 1.088 -2.432 -36.224 1.00 0.00 C
202
+ ATOM 201 CB CYS A 25 -0.649 -2.782 -34.464 1.00 0.00 C
203
+ ATOM 202 O CYS A 25 0.462 -1.886 -37.134 1.00 0.00 O
204
+ ATOM 203 SG CYS A 25 -0.695 -4.582 -34.602 1.00 0.00 S
205
+ ATOM 204 N THR A 26 2.159 -3.104 -36.412 1.00 0.00 N
206
+ ATOM 205 CA THR A 26 2.658 -3.342 -37.762 1.00 0.00 C
207
+ ATOM 206 C THR A 26 2.175 -4.692 -38.287 1.00 0.00 C
208
+ ATOM 207 CB THR A 26 4.196 -3.292 -37.807 1.00 0.00 C
209
+ ATOM 208 O THR A 26 2.380 -5.018 -39.458 1.00 0.00 O
210
+ ATOM 209 CG2 THR A 26 4.711 -1.905 -37.435 1.00 0.00 C
211
+ ATOM 210 OG1 THR A 26 4.726 -4.250 -36.883 1.00 0.00 O
212
+ ATOM 211 N THR A 27 1.703 -5.550 -37.439 1.00 0.00 N
213
+ ATOM 212 CA THR A 27 1.249 -6.890 -37.795 1.00 0.00 C
214
+ ATOM 213 C THR A 27 -0.233 -7.062 -37.478 1.00 0.00 C
215
+ ATOM 214 CB THR A 27 2.063 -7.970 -37.058 1.00 0.00 C
216
+ ATOM 215 O THR A 27 -0.728 -6.521 -36.487 1.00 0.00 O
217
+ ATOM 216 CG2 THR A 27 3.521 -7.962 -37.508 1.00 0.00 C
218
+ ATOM 217 OG1 THR A 27 2.010 -7.721 -35.648 1.00 0.00 O
219
+ ATOM 218 N GLY A 28 -1.144 -7.059 -38.649 1.00 0.00 N
220
+ ATOM 219 CA GLY A 28 -2.579 -7.229 -38.495 1.00 0.00 C
221
+ ATOM 220 C GLY A 28 -3.370 -5.991 -38.870 1.00 0.00 C
222
+ ATOM 221 O GLY A 28 -2.859 -5.106 -39.559 1.00 0.00 O
223
+ ATOM 222 N GLN A 29 -4.733 -6.076 -38.849 1.00 0.00 N
224
+ ATOM 223 CA GLN A 29 -5.723 -5.057 -39.179 1.00 0.00 C
225
+ ATOM 224 C GLN A 29 -5.939 -4.100 -38.010 1.00 0.00 C
226
+ ATOM 225 CB GLN A 29 -7.050 -5.705 -39.578 1.00 0.00 C
227
+ ATOM 226 O GLN A 29 -7.035 -3.565 -37.832 1.00 0.00 O
228
+ ATOM 227 CG GLN A 29 -7.005 -6.422 -40.921 1.00 0.00 C
229
+ ATOM 228 CD GLN A 29 -8.285 -6.257 -41.718 1.00 0.00 C
230
+ ATOM 229 NE2 GLN A 29 -8.246 -6.643 -42.989 1.00 0.00 N
231
+ ATOM 230 OE1 GLN A 29 -9.300 -5.784 -41.197 1.00 0.00 O
232
+ ATOM 231 N ILE A 30 -5.024 -4.158 -37.053 1.00 0.00 N
233
+ ATOM 232 CA ILE A 30 -5.316 -3.248 -35.951 1.00 0.00 C
234
+ ATOM 233 C ILE A 30 -4.807 -1.848 -36.288 1.00 0.00 C
235
+ ATOM 234 CB ILE A 30 -4.689 -3.742 -34.628 1.00 0.00 C
236
+ ATOM 235 O ILE A 30 -3.669 -1.686 -36.734 1.00 0.00 O
237
+ ATOM 236 CG1 ILE A 30 -5.159 -5.166 -34.313 1.00 0.00 C
238
+ ATOM 237 CG2 ILE A 30 -5.026 -2.786 -33.480 1.00 0.00 C
239
+ ATOM 238 CD1 ILE A 30 -4.500 -5.778 -33.084 1.00 0.00 C
240
+ ATOM 239 N PRO A 31 -5.791 -0.909 -36.183 1.00 0.00 N
241
+ ATOM 240 CA PRO A 31 -5.515 0.502 -36.461 1.00 0.00 C
242
+ ATOM 241 C PRO A 31 -4.417 1.076 -35.567 1.00 0.00 C
243
+ ATOM 242 CB PRO A 31 -6.856 1.185 -36.187 1.00 0.00 C
244
+ ATOM 243 O PRO A 31 -4.177 0.561 -34.472 1.00 0.00 O
245
+ ATOM 244 CG PRO A 31 -7.696 0.132 -35.540 1.00 0.00 C
246
+ ATOM 245 CD PRO A 31 -6.959 -1.175 -35.609 1.00 0.00 C
247
+ ATOM 246 N ILE A 32 -3.578 1.877 -36.100 1.00 0.00 N
248
+ ATOM 247 CA ILE A 32 -2.669 2.796 -35.423 1.00 0.00 C
249
+ ATOM 248 C ILE A 32 -3.346 3.367 -34.179 1.00 0.00 C
250
+ ATOM 249 CB ILE A 32 -2.219 3.939 -36.361 1.00 0.00 C
251
+ ATOM 250 O ILE A 32 -4.485 3.836 -34.244 1.00 0.00 O
252
+ ATOM 251 CG1 ILE A 32 -1.516 3.369 -37.598 1.00 0.00 C
253
+ ATOM 252 CG2 ILE A 32 -1.309 4.920 -35.617 1.00 0.00 C
254
+ ATOM 253 CD1 ILE A 32 -1.235 4.400 -38.681 1.00 0.00 C
255
+ ATOM 254 N ARG A 33 -2.808 2.995 -33.077 1.00 0.00 N
256
+ ATOM 255 CA ARG A 33 -3.337 3.645 -31.882 1.00 0.00 C
257
+ ATOM 256 C ARG A 33 -2.376 4.712 -31.368 1.00 0.00 C
258
+ ATOM 257 CB ARG A 33 -3.612 2.615 -30.786 1.00 0.00 C
259
+ ATOM 258 O ARG A 33 -1.166 4.487 -31.307 1.00 0.00 O
260
+ ATOM 259 CG ARG A 33 -4.684 1.599 -31.148 1.00 0.00 C
261
+ ATOM 260 CD ARG A 33 -6.082 2.131 -30.870 1.00 0.00 C
262
+ ATOM 261 NE ARG A 33 -7.083 1.069 -30.919 1.00 0.00 N
263
+ ATOM 262 NH1 ARG A 33 -8.896 2.482 -30.694 1.00 0.00 N
264
+ ATOM 263 NH2 ARG A 33 -9.217 0.221 -30.890 1.00 0.00 N
265
+ ATOM 264 CZ ARG A 33 -8.396 1.259 -30.834 1.00 0.00 C
266
+ ATOM 265 N ASP A 34 -2.885 5.911 -31.225 1.00 0.00 N
267
+ ATOM 266 CA ASP A 34 -2.236 7.142 -30.785 1.00 0.00 C
268
+ ATOM 267 C ASP A 34 -2.367 7.322 -29.274 1.00 0.00 C
269
+ ATOM 268 CB ASP A 34 -2.829 8.351 -31.512 1.00 0.00 C
270
+ ATOM 269 O ASP A 34 -3.476 7.447 -28.752 1.00 0.00 O
271
+ ATOM 270 CG ASP A 34 -2.030 9.624 -31.296 1.00 0.00 C
272
+ ATOM 271 OD1 ASP A 34 -1.204 9.673 -30.359 1.00 0.00 O
273
+ ATOM 272 OD2 ASP A 34 -2.229 10.587 -32.069 1.00 0.00 O
274
+ ATOM 273 N LEU A 35 -1.253 7.109 -28.494 1.00 0.00 N
275
+ ATOM 274 CA LEU A 35 -1.307 7.394 -27.064 1.00 0.00 C
276
+ ATOM 275 C LEU A 35 -1.324 8.896 -26.808 1.00 0.00 C
277
+ ATOM 276 CB LEU A 35 -0.115 6.755 -26.346 1.00 0.00 C
278
+ ATOM 277 O LEU A 35 -1.482 9.335 -25.667 1.00 0.00 O
279
+ ATOM 278 CG LEU A 35 -0.044 5.228 -26.376 1.00 0.00 C
280
+ ATOM 279 CD1 LEU A 35 1.281 4.746 -25.794 1.00 0.00 C
281
+ ATOM 280 CD2 LEU A 35 -1.219 4.622 -25.616 1.00 0.00 C
282
+ ATOM 281 N SER A 36 -0.971 9.626 -27.861 1.00 0.00 N
283
+ ATOM 282 CA SER A 36 -0.818 11.066 -27.677 1.00 0.00 C
284
+ ATOM 283 C SER A 36 -2.087 11.689 -27.106 1.00 0.00 C
285
+ ATOM 284 CB SER A 36 -0.461 11.740 -29.003 1.00 0.00 C
286
+ ATOM 285 O SER A 36 -2.019 12.614 -26.293 1.00 0.00 O
287
+ ATOM 286 OG SER A 36 0.640 11.093 -29.616 1.00 0.00 O
288
+ ATOM 287 N ALA A 37 -3.112 11.249 -27.673 1.00 0.00 N
289
+ ATOM 288 CA ALA A 37 -4.355 11.842 -27.186 1.00 0.00 C
290
+ ATOM 289 C ALA A 37 -4.471 11.707 -25.670 1.00 0.00 C
291
+ ATOM 290 CB ALA A 37 -5.558 11.194 -27.868 1.00 0.00 C
292
+ ATOM 291 O ALA A 37 -4.850 12.658 -24.983 1.00 0.00 O
293
+ ATOM 292 N ASP A 38 -4.221 10.432 -25.182 1.00 0.00 N
294
+ ATOM 293 CA ASP A 38 -4.278 10.303 -23.729 1.00 0.00 C
295
+ ATOM 294 C ASP A 38 -3.242 11.201 -23.057 1.00 0.00 C
296
+ ATOM 295 CB ASP A 38 -4.062 8.847 -23.311 1.00 0.00 C
297
+ ATOM 296 O ASP A 38 -3.539 11.861 -22.059 1.00 0.00 O
298
+ ATOM 297 CG ASP A 38 -5.283 7.975 -23.549 1.00 0.00 C
299
+ ATOM 298 OD1 ASP A 38 -6.393 8.517 -23.736 1.00 0.00 O
300
+ ATOM 299 OD2 ASP A 38 -5.133 6.735 -23.545 1.00 0.00 O
301
+ ATOM 300 N ILE A 39 -2.070 11.166 -23.634 1.00 0.00 N
302
+ ATOM 301 CA ILE A 39 -0.996 11.925 -23.001 1.00 0.00 C
303
+ ATOM 302 C ILE A 39 -1.243 13.421 -23.185 1.00 0.00 C
304
+ ATOM 303 CB ILE A 39 0.385 11.536 -23.574 1.00 0.00 C
305
+ ATOM 304 O ILE A 39 -1.025 14.210 -22.263 1.00 0.00 O
306
+ ATOM 305 CG1 ILE A 39 0.711 10.075 -23.239 1.00 0.00 C
307
+ ATOM 306 CG2 ILE A 39 1.473 12.475 -23.047 1.00 0.00 C
308
+ ATOM 307 CD1 ILE A 39 1.944 9.537 -23.951 1.00 0.00 C
309
+ ATOM 308 N SER A 40 -1.673 13.767 -24.447 1.00 0.00 N
310
+ ATOM 309 CA SER A 40 -1.932 15.183 -24.691 1.00 0.00 C
311
+ ATOM 310 C SER A 40 -3.093 15.687 -23.839 1.00 0.00 C
312
+ ATOM 311 CB SER A 40 -2.233 15.426 -26.171 1.00 0.00 C
313
+ ATOM 312 O SER A 40 -3.085 16.833 -23.385 1.00 0.00 O
314
+ ATOM 313 OG SER A 40 -3.439 14.787 -26.552 1.00 0.00 O
315
+ ATOM 314 N GLN A 41 -4.164 14.867 -23.775 1.00 0.00 N
316
+ ATOM 315 CA GLN A 41 -5.283 15.287 -22.936 1.00 0.00 C
317
+ ATOM 316 C GLN A 41 -4.849 15.449 -21.481 1.00 0.00 C
318
+ ATOM 317 CB GLN A 41 -6.433 14.284 -23.032 1.00 0.00 C
319
+ ATOM 318 O GLN A 41 -5.307 16.361 -20.790 1.00 0.00 O
320
+ ATOM 319 CG GLN A 41 -7.805 14.894 -22.779 1.00 0.00 C
321
+ ATOM 320 CD GLN A 41 -8.939 13.922 -23.044 1.00 0.00 C
322
+ ATOM 321 NE2 GLN A 41 -10.170 14.379 -22.847 1.00 0.00 N
323
+ ATOM 322 OE1 GLN A 41 -8.709 12.768 -23.424 1.00 0.00 O
324
+ ATOM 323 N VAL A 42 -3.981 14.541 -21.003 1.00 0.00 N
325
+ ATOM 324 CA VAL A 42 -3.437 14.698 -19.659 1.00 0.00 C
326
+ ATOM 325 C VAL A 42 -2.669 16.014 -19.562 1.00 0.00 C
327
+ ATOM 326 CB VAL A 42 -2.519 13.515 -19.278 1.00 0.00 C
328
+ ATOM 327 O VAL A 42 -2.782 16.734 -18.566 1.00 0.00 O
329
+ ATOM 328 CG1 VAL A 42 -1.839 13.771 -17.933 1.00 0.00 C
330
+ ATOM 329 CG2 VAL A 42 -3.316 12.213 -19.237 1.00 0.00 C
331
+ ATOM 330 N LEU A 43 -1.906 16.344 -20.659 1.00 0.00 N
332
+ ATOM 331 CA LEU A 43 -1.115 17.569 -20.622 1.00 0.00 C
333
+ ATOM 332 C LEU A 43 -2.011 18.798 -20.727 1.00 0.00 C
334
+ ATOM 333 CB LEU A 43 -0.083 17.576 -21.753 1.00 0.00 C
335
+ ATOM 334 O LEU A 43 -1.704 19.847 -20.155 1.00 0.00 O
336
+ ATOM 335 CG LEU A 43 1.080 16.591 -21.618 1.00 0.00 C
337
+ ATOM 336 CD1 LEU A 43 1.880 16.536 -22.914 1.00 0.00 C
338
+ ATOM 337 CD2 LEU A 43 1.975 16.980 -20.446 1.00 0.00 C
339
+ ATOM 338 N LYS A 44 -3.177 18.795 -21.400 1.00 0.00 N
340
+ ATOM 339 CA LYS A 44 -4.018 19.967 -21.631 1.00 0.00 C
341
+ ATOM 340 C LYS A 44 -4.858 20.292 -20.399 1.00 0.00 C
342
+ ATOM 341 CB LYS A 44 -4.926 19.746 -22.841 1.00 0.00 C
343
+ ATOM 342 O LYS A 44 -5.093 21.462 -20.093 1.00 0.00 O
344
+ ATOM 343 CG LYS A 44 -4.212 19.858 -24.180 1.00 0.00 C
345
+ ATOM 344 CD LYS A 44 -5.179 19.696 -25.345 1.00 0.00 C
346
+ ATOM 345 CE LYS A 44 -4.455 19.739 -26.684 1.00 0.00 C
347
+ ATOM 346 NZ LYS A 44 -5.394 19.529 -27.827 1.00 0.00 N
348
+ ATOM 347 N GLU A 45 -5.366 19.230 -19.688 1.00 0.00 N
349
+ ATOM 348 CA GLU A 45 -6.435 19.445 -18.717 1.00 0.00 C
350
+ ATOM 349 C GLU A 45 -5.881 19.533 -17.297 1.00 0.00 C
351
+ ATOM 350 CB GLU A 45 -7.476 18.328 -18.807 1.00 0.00 C
352
+ ATOM 351 O GLU A 45 -6.637 19.715 -16.341 1.00 0.00 O
353
+ ATOM 352 CG GLU A 45 -8.259 18.320 -20.112 1.00 0.00 C
354
+ ATOM 353 CD GLU A 45 -9.365 17.278 -20.142 1.00 0.00 C
355
+ ATOM 354 OE1 GLU A 45 -9.517 16.524 -19.154 1.00 0.00 O
356
+ ATOM 355 OE2 GLU A 45 -10.085 17.212 -21.164 1.00 0.00 O
357
+ ATOM 356 N LYS A 46 -4.576 19.913 -17.207 1.00 0.00 N
358
+ ATOM 357 CA LYS A 46 -3.948 19.974 -15.892 1.00 0.00 C
359
+ ATOM 358 C LYS A 46 -4.371 18.791 -15.024 1.00 0.00 C
360
+ ATOM 359 CB LYS A 46 -4.295 21.288 -15.190 1.00 0.00 C
361
+ ATOM 360 O LYS A 46 -4.552 18.936 -13.814 1.00 0.00 O
362
+ ATOM 361 CG LYS A 46 -3.555 22.498 -15.741 1.00 0.00 C
363
+ ATOM 362 CD LYS A 46 -3.778 23.731 -14.876 1.00 0.00 C
364
+ ATOM 363 CE LYS A 46 -3.053 24.948 -15.437 1.00 0.00 C
365
+ ATOM 364 NZ LYS A 46 -3.273 26.161 -14.594 1.00 0.00 N
366
+ ATOM 365 N ARG A 47 -4.927 17.625 -15.557 1.00 0.00 N
367
+ ATOM 366 CA ARG A 47 -5.208 16.378 -14.855 1.00 0.00 C
368
+ ATOM 367 C ARG A 47 -3.958 15.510 -14.756 1.00 0.00 C
369
+ ATOM 368 CB ARG A 47 -6.328 15.606 -15.557 1.00 0.00 C
370
+ ATOM 369 O ARG A 47 -2.949 15.790 -15.405 1.00 0.00 O
371
+ ATOM 370 CG ARG A 47 -7.710 16.207 -15.359 1.00 0.00 C
372
+ ATOM 371 CD ARG A 47 -8.801 15.317 -15.936 1.00 0.00 C
373
+ ATOM 372 NE ARG A 47 -10.075 16.022 -16.035 1.00 0.00 N
374
+ ATOM 373 NH1 ARG A 47 -11.247 14.212 -16.866 1.00 0.00 N
375
+ ATOM 374 NH2 ARG A 47 -12.312 16.213 -16.523 1.00 0.00 N
376
+ ATOM 375 CZ ARG A 47 -11.209 15.480 -16.475 1.00 0.00 C
377
+ ATOM 376 N SER A 48 -4.041 14.747 -13.531 1.00 0.00 N
378
+ ATOM 377 CA SER A 48 -2.961 13.795 -13.295 1.00 0.00 C
379
+ ATOM 378 C SER A 48 -2.634 13.006 -14.558 1.00 0.00 C
380
+ ATOM 379 CB SER A 48 -3.333 12.833 -12.164 1.00 0.00 C
381
+ ATOM 380 O SER A 48 -3.537 12.584 -15.284 1.00 0.00 O
382
+ ATOM 381 OG SER A 48 -4.349 11.937 -12.581 1.00 0.00 O
383
+ ATOM 382 N ILE A 49 -1.501 13.326 -15.102 1.00 0.00 N
384
+ ATOM 383 CA ILE A 49 -0.943 12.551 -16.205 1.00 0.00 C
385
+ ATOM 384 C ILE A 49 -1.190 11.063 -15.966 1.00 0.00 C
386
+ ATOM 385 CB ILE A 49 0.568 12.822 -16.378 1.00 0.00 C
387
+ ATOM 386 O ILE A 49 -0.928 10.550 -14.876 1.00 0.00 O
388
+ ATOM 387 CG1 ILE A 49 0.813 14.304 -16.684 1.00 0.00 C
389
+ ATOM 388 CG2 ILE A 49 1.153 11.932 -17.479 1.00 0.00 C
390
+ ATOM 389 CD1 ILE A 49 2.279 14.711 -16.640 1.00 0.00 C
391
+ ATOM 390 N LYS A 50 -2.218 10.454 -16.841 1.00 0.00 N
392
+ ATOM 391 CA LYS A 50 -2.205 8.998 -16.748 1.00 0.00 C
393
+ ATOM 392 C LYS A 50 -0.780 8.455 -16.808 1.00 0.00 C
394
+ ATOM 393 CB LYS A 50 -3.049 8.381 -17.865 1.00 0.00 C
395
+ ATOM 394 O LYS A 50 0.025 8.900 -17.628 1.00 0.00 O
396
+ ATOM 395 CG LYS A 50 -3.360 6.906 -17.663 1.00 0.00 C
397
+ ATOM 396 CD LYS A 50 -4.493 6.444 -18.571 1.00 0.00 C
398
+ ATOM 397 CE LYS A 50 -4.832 4.977 -18.342 1.00 0.00 C
399
+ ATOM 398 NZ LYS A 50 -6.004 4.546 -19.160 1.00 0.00 N
400
+ ATOM 399 N LYS A 51 -0.447 7.534 -15.824 1.00 0.00 N
401
+ ATOM 400 CA LYS A 51 0.923 7.049 -15.692 1.00 0.00 C
402
+ ATOM 401 C LYS A 51 1.050 5.615 -16.198 1.00 0.00 C
403
+ ATOM 402 CB LYS A 51 1.385 7.133 -14.235 1.00 0.00 C
404
+ ATOM 403 O LYS A 51 2.160 5.118 -16.403 1.00 0.00 O
405
+ ATOM 404 CG LYS A 51 1.538 8.555 -13.716 1.00 0.00 C
406
+ ATOM 405 CD LYS A 51 2.135 8.576 -12.315 1.00 0.00 C
407
+ ATOM 406 CE LYS A 51 2.349 9.999 -11.819 1.00 0.00 C
408
+ ATOM 407 NZ LYS A 51 3.007 10.027 -10.478 1.00 0.00 N
409
+ ATOM 408 N VAL A 52 -0.169 5.029 -16.416 1.00 0.00 N
410
+ ATOM 409 CA VAL A 52 -0.115 3.622 -16.798 1.00 0.00 C
411
+ ATOM 410 C VAL A 52 -1.121 3.351 -17.914 1.00 0.00 C
412
+ ATOM 411 CB VAL A 52 -0.394 2.696 -15.592 1.00 0.00 C
413
+ ATOM 412 O VAL A 52 -2.302 3.682 -17.789 1.00 0.00 O
414
+ ATOM 413 CG1 VAL A 52 -0.280 1.229 -16.002 1.00 0.00 C
415
+ ATOM 414 CG2 VAL A 52 0.565 3.010 -14.447 1.00 0.00 C
416
+ ATOM 415 N TRP A 53 -0.739 2.701 -18.981 1.00 0.00 N
417
+ ATOM 416 CA TRP A 53 -1.574 2.261 -20.093 1.00 0.00 C
418
+ ATOM 417 C TRP A 53 -1.495 0.748 -20.268 1.00 0.00 C
419
+ ATOM 418 CB TRP A 53 -1.155 2.960 -21.390 1.00 0.00 C
420
+ ATOM 419 O TRP A 53 -0.408 0.193 -20.441 1.00 0.00 O
421
+ ATOM 420 CG TRP A 53 -1.323 4.450 -21.361 1.00 0.00 C
422
+ ATOM 421 CD1 TRP A 53 -2.427 5.162 -21.740 1.00 0.00 C
423
+ ATOM 422 CD2 TRP A 53 -0.353 5.410 -20.932 1.00 0.00 C
424
+ ATOM 423 CE2 TRP A 53 -0.938 6.688 -21.079 1.00 0.00 C
425
+ ATOM 424 CE3 TRP A 53 0.954 5.315 -20.438 1.00 0.00 C
426
+ ATOM 425 NE1 TRP A 53 -2.201 6.508 -21.573 1.00 0.00 N
427
+ ATOM 426 CH2 TRP A 53 1.019 7.741 -20.266 1.00 0.00 C
428
+ ATOM 427 CZ2 TRP A 53 -0.258 7.862 -20.748 1.00 0.00 C
429
+ ATOM 428 CZ3 TRP A 53 1.629 6.485 -20.109 1.00 0.00 C
430
+ ATOM 429 N THR A 54 -2.643 0.165 -20.240 1.00 0.00 N
431
+ ATOM 430 CA THR A 54 -2.719 -1.289 -20.331 1.00 0.00 C
432
+ ATOM 431 C THR A 54 -3.050 -1.726 -21.754 1.00 0.00 C
433
+ ATOM 432 CB THR A 54 -3.773 -1.854 -19.360 1.00 0.00 C
434
+ ATOM 433 O THR A 54 -3.822 -1.062 -22.449 1.00 0.00 O
435
+ ATOM 434 CG2 THR A 54 -3.411 -1.540 -17.912 1.00 0.00 C
436
+ ATOM 435 OG1 THR A 54 -5.049 -1.274 -19.658 1.00 0.00 O
437
+ ATOM 436 N PHE A 55 -2.382 -2.815 -22.130 1.00 0.00 N
438
+ ATOM 437 CA PHE A 55 -2.550 -3.443 -23.435 1.00 0.00 C
439
+ ATOM 438 C PHE A 55 -2.880 -4.922 -23.287 1.00 0.00 C
440
+ ATOM 439 CB PHE A 55 -1.284 -3.270 -24.282 1.00 0.00 C
441
+ ATOM 440 O PHE A 55 -2.220 -5.639 -22.531 1.00 0.00 O
442
+ ATOM 441 CG PHE A 55 -0.958 -1.835 -24.600 1.00 0.00 C
443
+ ATOM 442 CD1 PHE A 55 -1.208 -1.315 -25.864 1.00 0.00 C
444
+ ATOM 443 CD2 PHE A 55 -0.400 -1.008 -23.634 1.00 0.00 C
445
+ ATOM 444 CE1 PHE A 55 -0.907 0.013 -26.160 1.00 0.00 C
446
+ ATOM 445 CE2 PHE A 55 -0.096 0.320 -23.923 1.00 0.00 C
447
+ ATOM 446 CZ PHE A 55 -0.349 0.827 -25.187 1.00 0.00 C
448
+ ATOM 447 N GLY A 56 -3.844 -5.332 -23.933 1.00 0.00 N
449
+ ATOM 448 CA GLY A 56 -4.192 -6.741 -23.844 1.00 0.00 C
450
+ ATOM 449 C GLY A 56 -5.436 -7.100 -24.635 1.00 0.00 C
451
+ ATOM 450 O GLY A 56 -5.844 -6.357 -25.531 1.00 0.00 O
452
+ ATOM 451 N ARG A 57 -5.993 -8.314 -24.339 1.00 0.00 N
453
+ ATOM 452 CA ARG A 57 -7.142 -8.911 -25.011 1.00 0.00 C
454
+ ATOM 453 C ARG A 57 -8.450 -8.372 -24.443 1.00 0.00 C
455
+ ATOM 454 CB ARG A 57 -7.106 -10.435 -24.887 1.00 0.00 C
456
+ ATOM 455 O ARG A 57 -9.445 -8.258 -25.161 1.00 0.00 O
457
+ ATOM 456 CG ARG A 57 -8.266 -11.138 -25.574 1.00 0.00 C
458
+ ATOM 457 CD ARG A 57 -8.077 -12.648 -25.599 1.00 0.00 C
459
+ ATOM 458 NE ARG A 57 -8.073 -13.212 -24.252 1.00 0.00 N
460
+ ATOM 459 NH1 ARG A 57 -7.765 -15.395 -24.942 1.00 0.00 N
461
+ ATOM 460 NH2 ARG A 57 -7.937 -14.908 -22.708 1.00 0.00 N
462
+ ATOM 461 CZ ARG A 57 -7.924 -14.504 -23.970 1.00 0.00 C
463
+ ATOM 462 N ASN A 58 -8.453 -8.103 -23.190 1.00 0.00 N
464
+ ATOM 463 CA ASN A 58 -9.640 -7.591 -22.515 1.00 0.00 C
465
+ ATOM 464 C ASN A 58 -10.065 -6.237 -23.078 1.00 0.00 C
466
+ ATOM 465 CB ASN A 58 -9.398 -7.486 -21.008 1.00 0.00 C
467
+ ATOM 466 O ASN A 58 -9.265 -5.302 -23.130 1.00 0.00 O
468
+ ATOM 467 CG ASN A 58 -10.654 -7.133 -20.237 1.00 0.00 C
469
+ ATOM 468 ND2 ASN A 58 -10.729 -7.580 -18.988 1.00 0.00 N
470
+ ATOM 469 OD1 ASN A 58 -11.552 -6.466 -20.759 1.00 0.00 O
471
+ ATOM 470 N PRO A 59 -11.371 -6.073 -23.469 1.00 0.00 N
472
+ ATOM 471 CA PRO A 59 -11.815 -4.788 -24.016 1.00 0.00 C
473
+ ATOM 472 C PRO A 59 -11.733 -3.655 -22.996 1.00 0.00 C
474
+ ATOM 473 CB PRO A 59 -13.267 -5.059 -24.416 1.00 0.00 C
475
+ ATOM 474 O PRO A 59 -11.807 -2.480 -23.366 1.00 0.00 O
476
+ ATOM 475 CG PRO A 59 -13.363 -6.546 -24.528 1.00 0.00 C
477
+ ATOM 476 CD PRO A 59 -12.350 -7.160 -23.604 1.00 0.00 C
478
+ ATOM 477 N ALA A 60 -11.538 -3.976 -21.764 1.00 0.00 N
479
+ ATOM 478 CA ALA A 60 -11.449 -2.947 -20.732 1.00 0.00 C
480
+ ATOM 479 C ALA A 60 -10.045 -2.353 -20.668 1.00 0.00 C
481
+ ATOM 480 CB ALA A 60 -11.842 -3.521 -19.372 1.00 0.00 C
482
+ ATOM 481 O ALA A 60 -9.812 -1.371 -19.961 1.00 0.00 O
483
+ ATOM 482 N CYS A 61 -9.047 -2.992 -21.365 1.00 0.00 N
484
+ ATOM 483 CA CYS A 61 -7.725 -2.380 -21.452 1.00 0.00 C
485
+ ATOM 484 C CYS A 61 -7.802 -1.006 -22.108 1.00 0.00 C
486
+ ATOM 485 CB CYS A 61 -6.770 -3.277 -22.239 1.00 0.00 C
487
+ ATOM 486 O CYS A 61 -8.714 -0.739 -22.892 1.00 0.00 O
488
+ ATOM 487 SG CYS A 61 -6.224 -4.736 -21.324 1.00 0.00 S
489
+ ATOM 488 N ASP A 62 -6.827 -0.211 -21.750 1.00 0.00 N
490
+ ATOM 489 CA ASP A 62 -6.730 1.083 -22.419 1.00 0.00 C
491
+ ATOM 490 C ASP A 62 -6.575 0.910 -23.928 1.00 0.00 C
492
+ ATOM 491 CB ASP A 62 -5.558 1.890 -21.858 1.00 0.00 C
493
+ ATOM 492 O ASP A 62 -7.104 1.706 -24.707 1.00 0.00 O
494
+ ATOM 493 CG ASP A 62 -5.714 2.217 -20.384 1.00 0.00 C
495
+ ATOM 494 OD1 ASP A 62 -6.641 2.971 -20.020 1.00 0.00 O
496
+ ATOM 495 OD2 ASP A 62 -4.900 1.716 -19.577 1.00 0.00 O
497
+ ATOM 496 N TYR A 63 -5.943 -0.118 -24.227 1.00 0.00 N
498
+ ATOM 497 CA TYR A 63 -5.743 -0.450 -25.634 1.00 0.00 C
499
+ ATOM 498 C TYR A 63 -6.039 -1.922 -25.894 1.00 0.00 C
500
+ ATOM 499 CB TYR A 63 -4.311 -0.119 -26.066 1.00 0.00 C
501
+ ATOM 500 O TYR A 63 -5.264 -2.797 -25.498 1.00 0.00 O
502
+ ATOM 501 CG TYR A 63 -3.989 1.354 -26.021 1.00 0.00 C
503
+ ATOM 502 CD1 TYR A 63 -4.227 2.173 -27.121 1.00 0.00 C
504
+ ATOM 503 CD2 TYR A 63 -3.443 1.930 -24.878 1.00 0.00 C
505
+ ATOM 504 CE1 TYR A 63 -3.930 3.532 -27.086 1.00 0.00 C
506
+ ATOM 505 CE2 TYR A 63 -3.141 3.287 -24.831 1.00 0.00 C
507
+ ATOM 506 OH TYR A 63 -3.091 5.423 -25.897 1.00 0.00 O
508
+ ATOM 507 CZ TYR A 63 -3.388 4.079 -25.938 1.00 0.00 C
509
+ ATOM 508 N HIS A 64 -7.075 -2.150 -26.530 1.00 0.00 N
510
+ ATOM 509 CA HIS A 64 -7.512 -3.498 -26.876 1.00 0.00 C
511
+ ATOM 510 C HIS A 64 -6.781 -4.015 -28.110 1.00 0.00 C
512
+ ATOM 511 CB HIS A 64 -9.023 -3.528 -27.110 1.00 0.00 C
513
+ ATOM 512 O HIS A 64 -6.844 -3.399 -29.177 1.00 0.00 O
514
+ ATOM 513 CG HIS A 64 -9.544 -4.875 -27.497 1.00 0.00 C
515
+ ATOM 514 CD2 HIS A 64 -9.430 -6.080 -26.892 1.00 0.00 C
516
+ ATOM 515 ND1 HIS A 64 -10.283 -5.087 -28.642 1.00 0.00 N
517
+ ATOM 516 CE1 HIS A 64 -10.602 -6.368 -28.722 1.00 0.00 C
518
+ ATOM 517 NE2 HIS A 64 -10.096 -6.992 -27.672 1.00 0.00 N
519
+ ATOM 518 N LEU A 65 -6.038 -5.039 -27.995 1.00 0.00 N
520
+ ATOM 519 CA LEU A 65 -5.181 -5.543 -29.062 1.00 0.00 C
521
+ ATOM 520 C LEU A 65 -5.919 -6.573 -29.912 1.00 0.00 C
522
+ ATOM 521 CB LEU A 65 -3.908 -6.161 -28.481 1.00 0.00 C
523
+ ATOM 522 O LEU A 65 -5.446 -6.950 -30.987 1.00 0.00 O
524
+ ATOM 523 CG LEU A 65 -2.965 -5.207 -27.745 1.00 0.00 C
525
+ ATOM 524 CD1 LEU A 65 -1.761 -5.967 -27.199 1.00 0.00 C
526
+ ATOM 525 CD2 LEU A 65 -2.517 -4.080 -28.670 1.00 0.00 C
527
+ ATOM 526 N GLY A 66 -7.143 -6.995 -29.488 1.00 0.00 N
528
+ ATOM 527 CA GLY A 66 -7.922 -7.960 -30.246 1.00 0.00 C
529
+ ATOM 528 C GLY A 66 -8.198 -9.240 -29.481 1.00 0.00 C
530
+ ATOM 529 O GLY A 66 -7.667 -9.440 -28.385 1.00 0.00 O
531
+ ATOM 530 N ASN A 67 -9.113 -10.026 -30.114 1.00 0.00 N
532
+ ATOM 531 CA ASN A 67 -9.497 -11.303 -29.523 1.00 0.00 C
533
+ ATOM 532 C ASN A 67 -8.587 -12.435 -29.991 1.00 0.00 C
534
+ ATOM 533 CB ASN A 67 -10.957 -11.627 -29.846 1.00 0.00 C
535
+ ATOM 534 O ASN A 67 -9.003 -13.283 -30.783 1.00 0.00 O
536
+ ATOM 535 CG ASN A 67 -11.546 -12.665 -28.912 1.00 0.00 C
537
+ ATOM 536 ND2 ASN A 67 -12.674 -13.245 -29.304 1.00 0.00 N
538
+ ATOM 537 OD1 ASN A 67 -10.991 -12.943 -27.845 1.00 0.00 O
539
+ ATOM 538 N ILE A 68 -7.355 -12.323 -29.608 1.00 0.00 N
540
+ ATOM 539 CA ILE A 68 -6.357 -13.351 -29.886 1.00 0.00 C
541
+ ATOM 540 C ILE A 68 -6.173 -14.236 -28.655 1.00 0.00 C
542
+ ATOM 541 CB ILE A 68 -5.007 -12.728 -30.306 1.00 0.00 C
543
+ ATOM 542 O ILE A 68 -5.870 -13.741 -27.567 1.00 0.00 O
544
+ ATOM 543 CG1 ILE A 68 -5.198 -11.805 -31.515 1.00 0.00 C
545
+ ATOM 544 CG2 ILE A 68 -3.979 -13.822 -30.607 1.00 0.00 C
546
+ ATOM 545 CD1 ILE A 68 -4.017 -10.881 -31.780 1.00 0.00 C
547
+ ATOM 546 N SER A 69 -6.480 -15.557 -28.763 1.00 0.00 N
548
+ ATOM 547 CA SER A 69 -6.583 -16.471 -27.630 1.00 0.00 C
549
+ ATOM 548 C SER A 69 -5.291 -16.497 -26.821 1.00 0.00 C
550
+ ATOM 549 CB SER A 69 -6.923 -17.883 -28.108 1.00 0.00 C
551
+ ATOM 550 O SER A 69 -5.320 -16.647 -25.597 1.00 0.00 O
552
+ ATOM 551 OG SER A 69 -5.861 -18.423 -28.876 1.00 0.00 O
553
+ ATOM 552 N ARG A 70 -4.159 -16.345 -27.349 1.00 0.00 N
554
+ ATOM 553 CA ARG A 70 -2.903 -16.473 -26.618 1.00 0.00 C
555
+ ATOM 554 C ARG A 70 -2.459 -15.129 -26.052 1.00 0.00 C
556
+ ATOM 555 CB ARG A 70 -1.810 -17.048 -27.522 1.00 0.00 C
557
+ ATOM 556 O ARG A 70 -1.424 -15.041 -25.386 1.00 0.00 O
558
+ ATOM 557 CG ARG A 70 -2.015 -18.511 -27.881 1.00 0.00 C
559
+ ATOM 558 CD ARG A 70 -0.736 -19.147 -28.408 1.00 0.00 C
560
+ ATOM 559 NE ARG A 70 -0.869 -20.595 -28.543 1.00 0.00 N
561
+ ATOM 560 NH1 ARG A 70 1.062 -20.864 -29.782 1.00 0.00 N
562
+ ATOM 561 NH2 ARG A 70 -0.231 -22.683 -29.255 1.00 0.00 N
563
+ ATOM 562 CZ ARG A 70 -0.012 -21.377 -29.193 1.00 0.00 C
564
+ ATOM 563 N LEU A 71 -3.170 -14.078 -26.384 1.00 0.00 N
565
+ ATOM 564 CA LEU A 71 -2.987 -12.791 -25.722 1.00 0.00 C
566
+ ATOM 565 C LEU A 71 -3.643 -12.790 -24.345 1.00 0.00 C
567
+ ATOM 566 CB LEU A 71 -3.566 -11.661 -26.577 1.00 0.00 C
568
+ ATOM 567 O LEU A 71 -4.777 -13.250 -24.192 1.00 0.00 O
569
+ ATOM 568 CG LEU A 71 -3.116 -10.243 -26.220 1.00 0.00 C
570
+ ATOM 569 CD1 LEU A 71 -1.637 -10.059 -26.544 1.00 0.00 C
571
+ ATOM 570 CD2 LEU A 71 -3.962 -9.212 -26.960 1.00 0.00 C
572
+ ATOM 571 N SER A 72 -2.921 -12.376 -23.364 1.00 0.00 N
573
+ ATOM 572 CA SER A 72 -3.477 -12.276 -22.018 1.00 0.00 C
574
+ ATOM 573 C SER A 72 -4.516 -11.162 -21.932 1.00 0.00 C
575
+ ATOM 574 CB SER A 72 -2.367 -12.029 -20.997 1.00 0.00 C
576
+ ATOM 575 O SER A 72 -4.497 -10.226 -22.733 1.00 0.00 O
577
+ ATOM 576 OG SER A 72 -1.516 -13.158 -20.896 1.00 0.00 O
578
+ ATOM 577 N ASN A 73 -5.434 -11.297 -20.913 1.00 0.00 N
579
+ ATOM 578 CA ASN A 73 -6.422 -10.245 -20.698 1.00 0.00 C
580
+ ATOM 579 C ASN A 73 -5.760 -8.880 -20.533 1.00 0.00 C
581
+ ATOM 580 CB ASN A 73 -7.289 -10.566 -19.478 1.00 0.00 C
582
+ ATOM 581 O ASN A 73 -6.158 -7.911 -21.181 1.00 0.00 O
583
+ ATOM 582 CG ASN A 73 -8.372 -11.583 -19.783 1.00 0.00 C
584
+ ATOM 583 ND2 ASN A 73 -8.643 -12.463 -18.826 1.00 0.00 N
585
+ ATOM 584 OD1 ASN A 73 -8.957 -11.579 -20.868 1.00 0.00 O
586
+ ATOM 585 N LYS A 74 -4.848 -8.694 -19.638 1.00 0.00 N
587
+ ATOM 586 CA LYS A 74 -3.846 -7.635 -19.567 1.00 0.00 C
588
+ ATOM 587 C LYS A 74 -2.451 -8.177 -19.864 1.00 0.00 C
589
+ ATOM 588 CB LYS A 74 -3.867 -6.966 -18.191 1.00 0.00 C
590
+ ATOM 589 O LYS A 74 -1.891 -8.933 -19.068 1.00 0.00 O
591
+ ATOM 590 CG LYS A 74 -5.168 -6.245 -17.872 1.00 0.00 C
592
+ ATOM 591 CD LYS A 74 -5.116 -5.576 -16.506 1.00 0.00 C
593
+ ATOM 592 CE LYS A 74 -6.440 -4.910 -16.157 1.00 0.00 C
594
+ ATOM 593 NZ LYS A 74 -6.416 -4.309 -14.791 1.00 0.00 N
595
+ ATOM 594 N HIS A 75 -1.938 -7.860 -21.069 1.00 0.00 N
596
+ ATOM 595 CA HIS A 75 -0.719 -8.500 -21.552 1.00 0.00 C
597
+ ATOM 596 C HIS A 75 0.520 -7.725 -21.116 1.00 0.00 C
598
+ ATOM 597 CB HIS A 75 -0.749 -8.628 -23.076 1.00 0.00 C
599
+ ATOM 598 O HIS A 75 1.476 -8.312 -20.601 1.00 0.00 O
600
+ ATOM 599 CG HIS A 75 0.282 -9.565 -23.620 1.00 0.00 C
601
+ ATOM 600 CD2 HIS A 75 1.602 -9.391 -23.863 1.00 0.00 C
602
+ ATOM 601 ND1 HIS A 75 -0.011 -10.861 -23.986 1.00 0.00 N
603
+ ATOM 602 CE1 HIS A 75 1.089 -11.446 -24.430 1.00 0.00 C
604
+ ATOM 603 NE2 HIS A 75 2.082 -10.576 -24.366 1.00 0.00 N
605
+ ATOM 604 N PHE A 76 0.568 -6.446 -21.279 1.00 0.00 N
606
+ ATOM 605 CA PHE A 76 1.639 -5.582 -20.797 1.00 0.00 C
607
+ ATOM 606 C PHE A 76 1.114 -4.182 -20.500 1.00 0.00 C
608
+ ATOM 607 CB PHE A 76 2.776 -5.510 -21.820 1.00 0.00 C
609
+ ATOM 608 O PHE A 76 -0.036 -3.866 -20.814 1.00 0.00 O
610
+ ATOM 609 CG PHE A 76 2.403 -4.800 -23.094 1.00 0.00 C
611
+ ATOM 610 CD1 PHE A 76 1.851 -5.499 -24.160 1.00 0.00 C
612
+ ATOM 611 CD2 PHE A 76 2.605 -3.432 -23.225 1.00 0.00 C
613
+ ATOM 612 CE1 PHE A 76 1.504 -4.844 -25.339 1.00 0.00 C
614
+ ATOM 613 CE2 PHE A 76 2.260 -2.771 -24.400 1.00 0.00 C
615
+ ATOM 614 CZ PHE A 76 1.711 -3.479 -25.456 1.00 0.00 C
616
+ ATOM 615 N GLN A 77 1.875 -3.405 -19.917 1.00 0.00 N
617
+ ATOM 616 CA GLN A 77 1.565 -2.006 -19.644 1.00 0.00 C
618
+ ATOM 617 C GLN A 77 2.751 -1.104 -19.975 1.00 0.00 C
619
+ ATOM 618 CB GLN A 77 1.159 -1.822 -18.181 1.00 0.00 C
620
+ ATOM 619 O GLN A 77 3.903 -1.540 -19.921 1.00 0.00 O
621
+ ATOM 620 CG GLN A 77 0.058 -2.772 -17.724 1.00 0.00 C
622
+ ATOM 621 CD GLN A 77 -0.194 -2.702 -16.230 1.00 0.00 C
623
+ ATOM 622 NE2 GLN A 77 -1.421 -3.004 -15.821 1.00 0.00 N
624
+ ATOM 623 OE1 GLN A 77 0.707 -2.379 -15.449 1.00 0.00 O
625
+ ATOM 624 N ILE A 78 2.460 0.013 -20.362 1.00 0.00 N
626
+ ATOM 625 CA ILE A 78 3.431 1.091 -20.499 1.00 0.00 C
627
+ ATOM 626 C ILE A 78 3.224 2.118 -19.387 1.00 0.00 C
628
+ ATOM 627 CB ILE A 78 3.329 1.772 -21.882 1.00 0.00 C
629
+ ATOM 628 O ILE A 78 2.101 2.577 -19.159 1.00 0.00 O
630
+ ATOM 629 CG1 ILE A 78 3.693 0.781 -22.993 1.00 0.00 C
631
+ ATOM 630 CG2 ILE A 78 4.224 3.014 -21.941 1.00 0.00 C
632
+ ATOM 631 CD1 ILE A 78 3.498 1.329 -24.400 1.00 0.00 C
633
+ ATOM 632 N LEU A 79 4.351 2.371 -18.704 1.00 0.00 N
634
+ ATOM 633 CA LEU A 79 4.331 3.290 -17.572 1.00 0.00 C
635
+ ATOM 634 C LEU A 79 5.098 4.569 -17.896 1.00 0.00 C
636
+ ATOM 635 CB LEU A 79 4.928 2.624 -16.330 1.00 0.00 C
637
+ ATOM 636 O LEU A 79 6.117 4.528 -18.590 1.00 0.00 O
638
+ ATOM 637 CG LEU A 79 4.321 1.280 -15.923 1.00 0.00 C
639
+ ATOM 638 CD1 LEU A 79 5.221 0.134 -16.374 1.00 0.00 C
640
+ ATOM 639 CD2 LEU A 79 4.095 1.229 -14.417 1.00 0.00 C
641
+ ATOM 640 N LEU A 80 4.536 5.660 -17.426 1.00 0.00 N
642
+ ATOM 641 CA LEU A 80 5.271 6.920 -17.431 1.00 0.00 C
643
+ ATOM 642 C LEU A 80 6.021 7.116 -16.117 1.00 0.00 C
644
+ ATOM 643 CB LEU A 80 4.320 8.096 -17.669 1.00 0.00 C
645
+ ATOM 644 O LEU A 80 5.404 7.210 -15.053 1.00 0.00 O
646
+ ATOM 645 CG LEU A 80 4.964 9.479 -17.766 1.00 0.00 C
647
+ ATOM 646 CD1 LEU A 80 5.894 9.549 -18.972 1.00 0.00 C
648
+ ATOM 647 CD2 LEU A 80 3.893 10.563 -17.846 1.00 0.00 C
649
+ ATOM 648 N GLY A 81 7.362 7.042 -16.213 1.00 0.00 N
650
+ ATOM 649 CA GLY A 81 8.198 7.235 -15.038 1.00 0.00 C
651
+ ATOM 650 C GLY A 81 8.255 8.679 -14.576 1.00 0.00 C
652
+ ATOM 651 O GLY A 81 7.772 9.577 -15.269 1.00 0.00 O
653
+ ATOM 652 N GLU A 82 8.774 8.868 -13.360 1.00 0.00 N
654
+ ATOM 653 CA GLU A 82 8.878 10.207 -12.789 1.00 0.00 C
655
+ ATOM 654 C GLU A 82 9.791 11.096 -13.627 1.00 0.00 C
656
+ ATOM 655 CB GLU A 82 9.390 10.139 -11.348 1.00 0.00 C
657
+ ATOM 656 O GLU A 82 9.580 12.308 -13.713 1.00 0.00 O
658
+ ATOM 657 CG GLU A 82 8.392 9.537 -10.369 1.00 0.00 C
659
+ ATOM 658 CD GLU A 82 8.864 9.586 -8.924 1.00 0.00 C
660
+ ATOM 659 OE1 GLU A 82 10.027 9.981 -8.679 1.00 0.00 O
661
+ ATOM 660 OE2 GLU A 82 8.066 9.225 -8.030 1.00 0.00 O
662
+ ATOM 661 N ASP A 83 10.760 10.510 -14.300 1.00 0.00 N
663
+ ATOM 662 CA ASP A 83 11.721 11.261 -15.105 1.00 0.00 C
664
+ ATOM 663 C ASP A 83 11.193 11.487 -16.520 1.00 0.00 C
665
+ ATOM 664 CB ASP A 83 13.064 10.532 -15.155 1.00 0.00 C
666
+ ATOM 665 O ASP A 83 11.916 11.984 -17.385 1.00 0.00 O
667
+ ATOM 666 CG ASP A 83 12.950 9.110 -15.678 1.00 0.00 C
668
+ ATOM 667 OD1 ASP A 83 11.826 8.668 -15.999 1.00 0.00 O
669
+ ATOM 668 OD2 ASP A 83 13.992 8.426 -15.767 1.00 0.00 O
670
+ ATOM 669 N GLY A 84 9.935 11.082 -16.716 1.00 0.00 N
671
+ ATOM 670 CA GLY A 84 9.326 11.275 -18.021 1.00 0.00 C
672
+ ATOM 671 C GLY A 84 9.630 10.152 -18.995 1.00 0.00 C
673
+ ATOM 672 O GLY A 84 9.264 10.226 -20.170 1.00 0.00 O
674
+ ATOM 673 N ASN A 85 10.298 9.212 -18.518 1.00 0.00 N
675
+ ATOM 674 CA ASN A 85 10.605 8.066 -19.368 1.00 0.00 C
676
+ ATOM 675 C ASN A 85 9.433 7.091 -19.438 1.00 0.00 C
677
+ ATOM 676 CB ASN A 85 11.862 7.350 -18.871 1.00 0.00 C
678
+ ATOM 677 O ASN A 85 8.676 6.953 -18.475 1.00 0.00 O
679
+ ATOM 678 CG ASN A 85 13.123 8.165 -19.091 1.00 0.00 C
680
+ ATOM 679 ND2 ASN A 85 14.077 8.039 -18.177 1.00 0.00 N
681
+ ATOM 680 OD1 ASN A 85 13.237 8.901 -20.074 1.00 0.00 O
682
+ ATOM 681 N LEU A 86 9.302 6.468 -20.557 1.00 0.00 N
683
+ ATOM 682 CA LEU A 86 8.319 5.400 -20.693 1.00 0.00 C
684
+ ATOM 683 C LEU A 86 8.948 4.042 -20.404 1.00 0.00 C
685
+ ATOM 684 CB LEU A 86 7.712 5.405 -22.099 1.00 0.00 C
686
+ ATOM 685 O LEU A 86 10.072 3.770 -20.832 1.00 0.00 O
687
+ ATOM 686 CG LEU A 86 6.881 6.634 -22.473 1.00 0.00 C
688
+ ATOM 687 CD1 LEU A 86 6.412 6.535 -23.921 1.00 0.00 C
689
+ ATOM 688 CD2 LEU A 86 5.693 6.785 -21.529 1.00 0.00 C
690
+ ATOM 689 N LEU A 87 8.238 3.263 -19.626 1.00 0.00 N
691
+ ATOM 690 CA LEU A 87 8.690 1.932 -19.240 1.00 0.00 C
692
+ ATOM 691 C LEU A 87 7.708 0.866 -19.712 1.00 0.00 C
693
+ ATOM 692 CB LEU A 87 8.863 1.844 -17.721 1.00 0.00 C
694
+ ATOM 693 O LEU A 87 6.492 1.060 -19.642 1.00 0.00 O
695
+ ATOM 694 CG LEU A 87 9.733 2.923 -17.074 1.00 0.00 C
696
+ ATOM 695 CD1 LEU A 87 9.576 2.894 -15.557 1.00 0.00 C
697
+ ATOM 696 CD2 LEU A 87 11.195 2.740 -17.468 1.00 0.00 C
698
+ ATOM 697 N LEU A 88 8.262 -0.193 -20.176 1.00 0.00 N
699
+ ATOM 698 CA LEU A 88 7.493 -1.379 -20.533 1.00 0.00 C
700
+ ATOM 699 C LEU A 88 7.481 -2.385 -19.387 1.00 0.00 C
701
+ ATOM 700 CB LEU A 88 8.066 -2.031 -21.794 1.00 0.00 C
702
+ ATOM 701 O LEU A 88 8.533 -2.710 -18.829 1.00 0.00 O
703
+ ATOM 702 CG LEU A 88 7.417 -3.345 -22.233 1.00 0.00 C
704
+ ATOM 703 CD1 LEU A 88 5.974 -3.105 -22.663 1.00 0.00 C
705
+ ATOM 704 CD2 LEU A 88 8.218 -3.986 -23.361 1.00 0.00 C
706
+ ATOM 705 N ASN A 89 6.341 -2.806 -19.029 1.00 0.00 N
707
+ ATOM 706 CA ASN A 89 6.147 -3.809 -17.987 1.00 0.00 C
708
+ ATOM 707 C ASN A 89 5.306 -4.981 -18.485 1.00 0.00 C
709
+ ATOM 708 CB ASN A 89 5.501 -3.180 -16.751 1.00 0.00 C
710
+ ATOM 709 O ASN A 89 4.127 -4.814 -18.801 1.00 0.00 O
711
+ ATOM 710 CG ASN A 89 5.380 -4.154 -15.596 1.00 0.00 C
712
+ ATOM 711 ND2 ASN A 89 6.344 -4.115 -14.683 1.00 0.00 N
713
+ ATOM 712 OD1 ASN A 89 4.428 -4.936 -15.525 1.00 0.00 O
714
+ ATOM 713 N ASP A 90 5.899 -6.142 -18.547 1.00 0.00 N
715
+ ATOM 714 CA ASP A 90 5.204 -7.353 -18.971 1.00 0.00 C
716
+ ATOM 715 C ASP A 90 4.421 -7.971 -17.814 1.00 0.00 C
717
+ ATOM 716 CB ASP A 90 6.197 -8.371 -19.538 1.00 0.00 C
718
+ ATOM 717 O ASP A 90 4.977 -8.209 -16.739 1.00 0.00 O
719
+ ATOM 718 CG ASP A 90 5.540 -9.680 -19.937 1.00 0.00 C
720
+ ATOM 719 OD1 ASP A 90 4.420 -9.656 -20.491 1.00 0.00 O
721
+ ATOM 720 OD2 ASP A 90 6.148 -10.745 -19.693 1.00 0.00 O
722
+ ATOM 721 N ILE A 91 3.130 -8.215 -18.096 1.00 0.00 N
723
+ ATOM 722 CA ILE A 91 2.324 -8.888 -17.083 1.00 0.00 C
724
+ ATOM 723 C ILE A 91 1.557 -10.046 -17.720 1.00 0.00 C
725
+ ATOM 724 CB ILE A 91 1.345 -7.910 -16.397 1.00 0.00 C
726
+ ATOM 725 O ILE A 91 0.509 -10.456 -17.216 1.00 0.00 O
727
+ ATOM 726 CG1 ILE A 91 0.514 -7.162 -17.445 1.00 0.00 C
728
+ ATOM 727 CG2 ILE A 91 2.102 -6.930 -15.497 1.00 0.00 C
729
+ ATOM 728 CD1 ILE A 91 -0.638 -6.354 -16.863 1.00 0.00 C
730
+ ATOM 729 N SER A 92 2.038 -10.571 -18.784 1.00 0.00 N
731
+ ATOM 730 CA SER A 92 1.362 -11.617 -19.544 1.00 0.00 C
732
+ ATOM 731 C SER A 92 1.740 -13.004 -19.032 1.00 0.00 C
733
+ ATOM 732 CB SER A 92 1.700 -11.504 -21.031 1.00 0.00 C
734
+ ATOM 733 O SER A 92 2.693 -13.150 -18.266 1.00 0.00 O
735
+ ATOM 734 OG SER A 92 3.063 -11.818 -21.262 1.00 0.00 O
736
+ ATOM 735 N THR A 93 1.050 -13.970 -19.495 1.00 0.00 N
737
+ ATOM 736 CA THR A 93 1.380 -15.372 -19.265 1.00 0.00 C
738
+ ATOM 737 C THR A 93 2.424 -15.854 -20.269 1.00 0.00 C
739
+ ATOM 738 CB THR A 93 0.128 -16.263 -19.355 1.00 0.00 C
740
+ ATOM 739 O THR A 93 3.398 -16.510 -19.893 1.00 0.00 O
741
+ ATOM 740 CG2 THR A 93 0.467 -17.721 -19.063 1.00 0.00 C
742
+ ATOM 741 OG1 THR A 93 -0.843 -15.810 -18.404 1.00 0.00 O
743
+ ATOM 742 N ASN A 94 2.283 -15.393 -21.522 1.00 0.00 N
744
+ ATOM 743 CA ASN A 94 3.065 -15.987 -22.601 1.00 0.00 C
745
+ ATOM 744 C ASN A 94 4.245 -15.101 -22.991 1.00 0.00 C
746
+ ATOM 745 CB ASN A 94 2.180 -16.258 -23.819 1.00 0.00 C
747
+ ATOM 746 O ASN A 94 5.033 -15.460 -23.867 1.00 0.00 O
748
+ ATOM 747 CG ASN A 94 1.179 -17.371 -23.577 1.00 0.00 C
749
+ ATOM 748 ND2 ASN A 94 -0.049 -17.176 -24.044 1.00 0.00 N
750
+ ATOM 749 OD1 ASN A 94 1.507 -18.397 -22.977 1.00 0.00 O
751
+ ATOM 750 N GLY A 95 4.330 -13.890 -22.365 1.00 0.00 N
752
+ ATOM 751 CA GLY A 95 5.537 -13.095 -22.520 1.00 0.00 C
753
+ ATOM 752 C GLY A 95 5.374 -11.946 -23.497 1.00 0.00 C
754
+ ATOM 753 O GLY A 95 4.457 -11.951 -24.322 1.00 0.00 O
755
+ ATOM 754 N THR A 96 6.231 -11.004 -23.445 1.00 0.00 N
756
+ ATOM 755 CA THR A 96 6.396 -9.821 -24.281 1.00 0.00 C
757
+ ATOM 756 C THR A 96 7.849 -9.671 -24.725 1.00 0.00 C
758
+ ATOM 757 CB THR A 96 5.949 -8.547 -23.542 1.00 0.00 C
759
+ ATOM 758 O THR A 96 8.771 -9.961 -23.959 1.00 0.00 O
760
+ ATOM 759 CG2 THR A 96 6.021 -7.328 -24.454 1.00 0.00 C
761
+ ATOM 760 OG1 THR A 96 4.599 -8.714 -23.091 1.00 0.00 O
762
+ ATOM 761 N TRP A 97 8.123 -9.290 -25.908 1.00 0.00 N
763
+ ATOM 762 CA TRP A 97 9.473 -9.108 -26.432 1.00 0.00 C
764
+ ATOM 763 C TRP A 97 9.717 -7.651 -26.812 1.00 0.00 C
765
+ ATOM 764 CB TRP A 97 9.704 -10.011 -27.647 1.00 0.00 C
766
+ ATOM 765 O TRP A 97 8.854 -7.007 -27.412 1.00 0.00 O
767
+ ATOM 766 CG TRP A 97 9.714 -11.476 -27.324 1.00 0.00 C
768
+ ATOM 767 CD1 TRP A 97 10.800 -12.304 -27.287 1.00 0.00 C
769
+ ATOM 768 CD2 TRP A 97 8.581 -12.285 -26.998 1.00 0.00 C
770
+ ATOM 769 CE2 TRP A 97 9.055 -13.597 -26.774 1.00 0.00 C
771
+ ATOM 770 CE3 TRP A 97 7.209 -12.030 -26.872 1.00 0.00 C
772
+ ATOM 771 NE1 TRP A 97 10.411 -13.581 -26.956 1.00 0.00 N
773
+ ATOM 772 CH2 TRP A 97 6.866 -14.372 -26.314 1.00 0.00 C
774
+ ATOM 773 CZ2 TRP A 97 8.203 -14.650 -26.430 1.00 0.00 C
775
+ ATOM 774 CZ3 TRP A 97 6.363 -13.079 -26.531 1.00 0.00 C
776
+ ATOM 775 N LEU A 98 10.834 -7.148 -26.419 1.00 0.00 N
777
+ ATOM 776 CA LEU A 98 11.313 -5.821 -26.788 1.00 0.00 C
778
+ ATOM 777 C LEU A 98 12.531 -5.917 -27.700 1.00 0.00 C
779
+ ATOM 778 CB LEU A 98 11.661 -5.010 -25.536 1.00 0.00 C
780
+ ATOM 779 O LEU A 98 13.582 -6.415 -27.291 1.00 0.00 O
781
+ ATOM 780 CG LEU A 98 12.107 -3.565 -25.767 1.00 0.00 C
782
+ ATOM 781 CD1 LEU A 98 10.985 -2.762 -26.418 1.00 0.00 C
783
+ ATOM 782 CD2 LEU A 98 12.540 -2.922 -24.455 1.00 0.00 C
784
+ ATOM 783 N ASN A 99 12.357 -5.513 -28.931 1.00 0.00 N
785
+ ATOM 784 CA ASN A 99 13.428 -5.612 -29.916 1.00 0.00 C
786
+ ATOM 785 C ASN A 99 13.979 -7.032 -30.004 1.00 0.00 C
787
+ ATOM 786 CB ASN A 99 14.550 -4.625 -29.591 1.00 0.00 C
788
+ ATOM 787 O ASN A 99 15.195 -7.228 -30.047 1.00 0.00 O
789
+ ATOM 788 CG ASN A 99 14.066 -3.189 -29.531 1.00 0.00 C
790
+ ATOM 789 ND2 ASN A 99 14.644 -2.407 -28.627 1.00 0.00 N
791
+ ATOM 790 OD1 ASN A 99 13.180 -2.787 -30.290 1.00 0.00 O
792
+ ATOM 791 N GLY A 100 13.160 -7.953 -29.938 1.00 0.00 N
793
+ ATOM 792 CA GLY A 100 13.542 -9.342 -30.141 1.00 0.00 C
794
+ ATOM 793 C GLY A 100 13.966 -10.037 -28.862 1.00 0.00 C
795
+ ATOM 794 O GLY A 100 14.260 -11.235 -28.868 1.00 0.00 O
796
+ ATOM 795 N GLN A 101 14.064 -9.343 -27.775 1.00 0.00 N
797
+ ATOM 796 CA GLN A 101 14.468 -9.922 -26.498 1.00 0.00 C
798
+ ATOM 797 C GLN A 101 13.281 -10.033 -25.545 1.00 0.00 C
799
+ ATOM 798 CB GLN A 101 15.579 -9.088 -25.857 1.00 0.00 C
800
+ ATOM 799 O GLN A 101 12.548 -9.063 -25.343 1.00 0.00 O
801
+ ATOM 800 CG GLN A 101 16.866 -9.051 -26.669 1.00 0.00 C
802
+ ATOM 801 CD GLN A 101 17.997 -8.346 -25.944 1.00 0.00 C
803
+ ATOM 802 NE2 GLN A 101 19.196 -8.408 -26.514 1.00 0.00 N
804
+ ATOM 803 OE1 GLN A 101 17.795 -7.748 -24.883 1.00 0.00 O
805
+ ATOM 804 N LYS A 102 13.143 -11.221 -24.986 1.00 0.00 N
806
+ ATOM 805 CA LYS A 102 12.044 -11.434 -24.049 1.00 0.00 C
807
+ ATOM 806 C LYS A 102 12.187 -10.536 -22.822 1.00 0.00 C
808
+ ATOM 807 CB LYS A 102 11.980 -12.900 -23.620 1.00 0.00 C
809
+ ATOM 808 O LYS A 102 13.267 -10.447 -22.234 1.00 0.00 O
810
+ ATOM 809 CG LYS A 102 10.698 -13.276 -22.891 1.00 0.00 C
811
+ ATOM 810 CD LYS A 102 10.633 -14.773 -22.610 1.00 0.00 C
812
+ ATOM 811 CE LYS A 102 9.305 -15.167 -21.981 1.00 0.00 C
813
+ ATOM 812 NZ LYS A 102 9.212 -16.642 -21.761 1.00 0.00 N
814
+ ATOM 813 N VAL A 103 11.197 -9.895 -22.457 1.00 0.00 N
815
+ ATOM 814 CA VAL A 103 11.155 -9.021 -21.290 1.00 0.00 C
816
+ ATOM 815 C VAL A 103 10.885 -9.847 -20.035 1.00 0.00 C
817
+ ATOM 816 CB VAL A 103 10.083 -7.919 -21.444 1.00 0.00 C
818
+ ATOM 817 O VAL A 103 10.020 -10.727 -20.037 1.00 0.00 O
819
+ ATOM 818 CG1 VAL A 103 9.988 -7.077 -20.173 1.00 0.00 C
820
+ ATOM 819 CG2 VAL A 103 10.395 -7.037 -22.652 1.00 0.00 C
821
+ ATOM 820 N GLU A 104 11.662 -9.654 -19.025 1.00 0.00 N
822
+ ATOM 821 CA GLU A 104 11.409 -10.294 -17.737 1.00 0.00 C
823
+ ATOM 822 C GLU A 104 10.065 -9.860 -17.160 1.00 0.00 C
824
+ ATOM 823 CB GLU A 104 12.534 -9.977 -16.749 1.00 0.00 C
825
+ ATOM 824 O GLU A 104 9.763 -8.667 -17.107 1.00 0.00 O
826
+ ATOM 825 CG GLU A 104 12.441 -10.753 -15.442 1.00 0.00 C
827
+ ATOM 826 CD GLU A 104 13.562 -10.423 -14.469 1.00 0.00 C
828
+ ATOM 827 OE1 GLU A 104 14.487 -9.667 -14.841 1.00 0.00 O
829
+ ATOM 828 OE2 GLU A 104 13.515 -10.928 -13.325 1.00 0.00 O
830
+ ATOM 829 N LYS A 105 9.331 -10.799 -16.750 1.00 0.00 N
831
+ ATOM 830 CA LYS A 105 8.002 -10.536 -16.206 1.00 0.00 C
832
+ ATOM 831 C LYS A 105 8.077 -9.607 -14.998 1.00 0.00 C
833
+ ATOM 832 CB LYS A 105 7.313 -11.846 -15.817 1.00 0.00 C
834
+ ATOM 833 O LYS A 105 8.953 -9.757 -14.145 1.00 0.00 O
835
+ ATOM 834 CG LYS A 105 5.841 -11.690 -15.466 1.00 0.00 C
836
+ ATOM 835 CD LYS A 105 5.147 -13.041 -15.352 1.00 0.00 C
837
+ ATOM 836 CE LYS A 105 3.663 -12.885 -15.050 1.00 0.00 C
838
+ ATOM 837 NZ LYS A 105 2.951 -14.198 -15.078 1.00 0.00 N
839
+ ATOM 838 N ASN A 106 7.187 -8.630 -14.909 1.00 0.00 N
840
+ ATOM 839 CA ASN A 106 7.012 -7.686 -13.810 1.00 0.00 C
841
+ ATOM 840 C ASN A 106 8.261 -6.835 -13.597 1.00 0.00 C
842
+ ATOM 841 CB ASN A 106 6.648 -8.426 -12.521 1.00 0.00 C
843
+ ATOM 842 O ASN A 106 8.532 -6.393 -12.479 1.00 0.00 O
844
+ ATOM 843 CG ASN A 106 5.271 -9.058 -12.580 1.00 0.00 C
845
+ ATOM 844 ND2 ASN A 106 5.144 -10.254 -12.020 1.00 0.00 N
846
+ ATOM 845 OD1 ASN A 106 4.330 -8.475 -13.124 1.00 0.00 O
847
+ ATOM 846 N SER A 107 8.962 -6.704 -14.649 1.00 0.00 N
848
+ ATOM 847 CA SER A 107 10.105 -5.797 -14.621 1.00 0.00 C
849
+ ATOM 848 C SER A 107 9.890 -4.608 -15.552 1.00 0.00 C
850
+ ATOM 849 CB SER A 107 11.385 -6.536 -15.011 1.00 0.00 C
851
+ ATOM 850 O SER A 107 9.101 -4.687 -16.495 1.00 0.00 O
852
+ ATOM 851 OG SER A 107 11.442 -6.739 -16.413 1.00 0.00 O
853
+ ATOM 852 N ASN A 108 10.522 -3.571 -15.238 1.00 0.00 N
854
+ ATOM 853 CA ASN A 108 10.409 -2.357 -16.038 1.00 0.00 C
855
+ ATOM 854 C ASN A 108 11.579 -2.213 -17.007 1.00 0.00 C
856
+ ATOM 855 CB ASN A 108 10.312 -1.126 -15.135 1.00 0.00 C
857
+ ATOM 856 O ASN A 108 12.740 -2.291 -16.602 1.00 0.00 O
858
+ ATOM 857 CG ASN A 108 9.009 -1.068 -14.362 1.00 0.00 C
859
+ ATOM 858 ND2 ASN A 108 9.014 -0.352 -13.245 1.00 0.00 N
860
+ ATOM 859 OD1 ASN A 108 8.008 -1.664 -14.766 1.00 0.00 O
861
+ ATOM 860 N GLN A 109 11.229 -2.044 -18.223 1.00 0.00 N
862
+ ATOM 861 CA GLN A 109 12.224 -1.806 -19.262 1.00 0.00 C
863
+ ATOM 862 C GLN A 109 12.045 -0.427 -19.892 1.00 0.00 C
864
+ ATOM 863 CB GLN A 109 12.145 -2.889 -20.340 1.00 0.00 C
865
+ ATOM 864 O GLN A 109 10.939 -0.065 -20.301 1.00 0.00 O
866
+ ATOM 865 CG GLN A 109 12.371 -4.300 -19.812 1.00 0.00 C
867
+ ATOM 866 CD GLN A 109 13.784 -4.516 -19.303 1.00 0.00 C
868
+ ATOM 867 NE2 GLN A 109 13.923 -5.349 -18.276 1.00 0.00 N
869
+ ATOM 868 OE1 GLN A 109 14.742 -3.942 -19.828 1.00 0.00 O
870
+ ATOM 869 N LEU A 110 13.157 0.260 -19.988 1.00 0.00 N
871
+ ATOM 870 CA LEU A 110 13.119 1.585 -20.595 1.00 0.00 C
872
+ ATOM 871 C LEU A 110 12.783 1.495 -22.080 1.00 0.00 C
873
+ ATOM 872 CB LEU A 110 14.458 2.302 -20.406 1.00 0.00 C
874
+ ATOM 873 O LEU A 110 13.370 0.687 -22.805 1.00 0.00 O
875
+ ATOM 874 CG LEU A 110 14.524 3.755 -20.875 1.00 0.00 C
876
+ ATOM 875 CD1 LEU A 110 13.603 4.627 -20.027 1.00 0.00 C
877
+ ATOM 876 CD2 LEU A 110 15.957 4.272 -20.820 1.00 0.00 C
878
+ ATOM 877 N LEU A 111 11.818 2.303 -22.483 1.00 0.00 N
879
+ ATOM 878 CA LEU A 111 11.444 2.368 -23.892 1.00 0.00 C
880
+ ATOM 879 C LEU A 111 12.116 3.553 -24.579 1.00 0.00 C
881
+ ATOM 880 CB LEU A 111 9.924 2.472 -24.039 1.00 0.00 C
882
+ ATOM 881 O LEU A 111 12.197 4.642 -24.007 1.00 0.00 O
883
+ ATOM 882 CG LEU A 111 9.123 1.209 -23.717 1.00 0.00 C
884
+ ATOM 883 CD1 LEU A 111 7.632 1.523 -23.672 1.00 0.00 C
885
+ ATOM 884 CD2 LEU A 111 9.415 0.116 -24.740 1.00 0.00 C
886
+ ATOM 885 N SER A 112 12.561 3.337 -25.783 1.00 0.00 N
887
+ ATOM 886 CA SER A 112 13.164 4.359 -26.632 1.00 0.00 C
888
+ ATOM 887 C SER A 112 12.457 4.444 -27.981 1.00 0.00 C
889
+ ATOM 888 CB SER A 112 14.651 4.074 -26.843 1.00 0.00 C
890
+ ATOM 889 O SER A 112 11.720 3.532 -28.361 1.00 0.00 O
891
+ ATOM 890 OG SER A 112 15.352 4.125 -25.613 1.00 0.00 O
892
+ ATOM 891 N GLN A 113 12.670 5.604 -28.565 1.00 0.00 N
893
+ ATOM 892 CA GLN A 113 12.159 5.796 -29.918 1.00 0.00 C
894
+ ATOM 893 C GLN A 113 12.540 4.628 -30.821 1.00 0.00 C
895
+ ATOM 894 CB GLN A 113 12.682 7.108 -30.507 1.00 0.00 C
896
+ ATOM 895 O GLN A 113 13.706 4.229 -30.872 1.00 0.00 O
897
+ ATOM 896 CG GLN A 113 12.290 7.327 -31.962 1.00 0.00 C
898
+ ATOM 897 CD GLN A 113 10.836 7.728 -32.125 1.00 0.00 C
899
+ ATOM 898 NE2 GLN A 113 10.355 7.724 -33.363 1.00 0.00 N
900
+ ATOM 899 OE1 GLN A 113 10.151 8.039 -31.145 1.00 0.00 O
901
+ ATOM 900 N GLY A 114 11.473 4.036 -31.465 1.00 0.00 N
902
+ ATOM 901 CA GLY A 114 11.741 3.015 -32.467 1.00 0.00 C
903
+ ATOM 902 C GLY A 114 11.730 1.607 -31.903 1.00 0.00 C
904
+ ATOM 903 O GLY A 114 11.876 0.635 -32.645 1.00 0.00 O
905
+ ATOM 904 N ASP A 115 11.611 1.542 -30.564 1.00 0.00 N
906
+ ATOM 905 CA ASP A 115 11.550 0.208 -29.973 1.00 0.00 C
907
+ ATOM 906 C ASP A 115 10.354 -0.576 -30.508 1.00 0.00 C
908
+ ATOM 907 CB ASP A 115 11.480 0.299 -28.448 1.00 0.00 C
909
+ ATOM 908 O ASP A 115 9.298 0.001 -30.780 1.00 0.00 O
910
+ ATOM 909 CG ASP A 115 12.840 0.504 -27.803 1.00 0.00 C
911
+ ATOM 910 OD1 ASP A 115 13.867 0.445 -28.512 1.00 0.00 O
912
+ ATOM 911 OD2 ASP A 115 12.884 0.724 -26.573 1.00 0.00 O
913
+ ATOM 912 N GLU A 116 10.558 -1.871 -30.742 1.00 0.00 N
914
+ ATOM 913 CA GLU A 116 9.487 -2.769 -31.165 1.00 0.00 C
915
+ ATOM 914 C GLU A 116 9.077 -3.709 -30.035 1.00 0.00 C
916
+ ATOM 915 CB GLU A 116 9.915 -3.577 -32.392 1.00 0.00 C
917
+ ATOM 916 O GLU A 116 9.911 -4.439 -29.494 1.00 0.00 O
918
+ ATOM 917 CG GLU A 116 8.823 -4.483 -32.943 1.00 0.00 C
919
+ ATOM 918 CD GLU A 116 9.257 -5.266 -34.172 1.00 0.00 C
920
+ ATOM 919 OE1 GLU A 116 10.480 -5.412 -34.398 1.00 0.00 O
921
+ ATOM 920 OE2 GLU A 116 8.368 -5.739 -34.915 1.00 0.00 O
922
+ ATOM 921 N ILE A 117 7.837 -3.587 -29.717 1.00 0.00 N
923
+ ATOM 922 CA ILE A 117 7.221 -4.507 -28.767 1.00 0.00 C
924
+ ATOM 923 C ILE A 117 6.474 -5.604 -29.521 1.00 0.00 C
925
+ ATOM 924 CB ILE A 117 6.262 -3.769 -27.806 1.00 0.00 C
926
+ ATOM 925 O ILE A 117 5.616 -5.317 -30.359 1.00 0.00 O
927
+ ATOM 926 CG1 ILE A 117 7.017 -2.687 -27.025 1.00 0.00 C
928
+ ATOM 927 CG2 ILE A 117 5.583 -4.758 -26.855 1.00 0.00 C
929
+ ATOM 928 CD1 ILE A 117 6.112 -1.718 -26.277 1.00 0.00 C
930
+ ATOM 929 N THR A 118 6.824 -6.778 -29.225 1.00 0.00 N
931
+ ATOM 930 CA THR A 118 6.146 -7.906 -29.856 1.00 0.00 C
932
+ ATOM 931 C THR A 118 5.418 -8.750 -28.814 1.00 0.00 C
933
+ ATOM 932 CB THR A 118 7.138 -8.790 -30.634 1.00 0.00 C
934
+ ATOM 933 O THR A 118 5.957 -9.021 -27.739 1.00 0.00 O
935
+ ATOM 934 CG2 THR A 118 6.405 -9.835 -31.469 1.00 0.00 C
936
+ ATOM 935 OG1 THR A 118 7.924 -7.964 -31.504 1.00 0.00 O
937
+ ATOM 936 N VAL A 119 4.189 -9.003 -29.191 1.00 0.00 N
938
+ ATOM 937 CA VAL A 119 3.366 -9.850 -28.335 1.00 0.00 C
939
+ ATOM 938 C VAL A 119 2.740 -10.970 -29.165 1.00 0.00 C
940
+ ATOM 939 CB VAL A 119 2.263 -9.037 -27.622 1.00 0.00 C
941
+ ATOM 940 O VAL A 119 2.625 -10.854 -30.387 1.00 0.00 O
942
+ ATOM 941 CG1 VAL A 119 2.875 -7.905 -26.798 1.00 0.00 C
943
+ ATOM 942 CG2 VAL A 119 1.266 -8.483 -28.638 1.00 0.00 C
944
+ ATOM 943 N GLY A 120 2.313 -12.081 -28.421 1.00 0.00 N
945
+ ATOM 944 CA GLY A 120 1.700 -13.208 -29.104 1.00 0.00 C
946
+ ATOM 945 C GLY A 120 2.677 -14.331 -29.399 1.00 0.00 C
947
+ ATOM 946 O GLY A 120 3.893 -14.131 -29.350 1.00 0.00 O
948
+ ATOM 947 N VAL A 121 2.184 -15.466 -29.341 1.00 0.00 N
949
+ ATOM 948 CA VAL A 121 2.918 -16.701 -29.591 1.00 0.00 C
950
+ ATOM 949 C VAL A 121 2.117 -17.597 -30.533 1.00 0.00 C
951
+ ATOM 950 CB VAL A 121 3.227 -17.452 -28.276 1.00 0.00 C
952
+ ATOM 951 O VAL A 121 0.888 -17.510 -30.588 1.00 0.00 O
953
+ ATOM 952 CG1 VAL A 121 4.293 -16.713 -27.470 1.00 0.00 C
954
+ ATOM 953 CG2 VAL A 121 1.953 -17.629 -27.451 1.00 0.00 C
955
+ ATOM 954 N GLY A 122 2.851 -18.329 -31.343 1.00 0.00 N
956
+ ATOM 955 CA GLY A 122 2.227 -19.255 -32.276 1.00 0.00 C
957
+ ATOM 956 C GLY A 122 2.408 -18.853 -33.727 1.00 0.00 C
958
+ ATOM 957 O GLY A 122 3.510 -18.491 -34.144 1.00 0.00 O
959
+ ATOM 958 N VAL A 123 1.219 -19.015 -34.518 1.00 0.00 N
960
+ ATOM 959 CA VAL A 123 1.296 -18.741 -35.949 1.00 0.00 C
961
+ ATOM 960 C VAL A 123 1.475 -17.242 -36.178 1.00 0.00 C
962
+ ATOM 961 CB VAL A 123 0.039 -19.247 -36.692 1.00 0.00 C
963
+ ATOM 962 O VAL A 123 1.188 -16.433 -35.294 1.00 0.00 O
964
+ ATOM 963 CG1 VAL A 123 -0.065 -20.768 -36.603 1.00 0.00 C
965
+ ATOM 964 CG2 VAL A 123 -1.217 -18.589 -36.124 1.00 0.00 C
966
+ ATOM 965 N GLU A 124 2.156 -16.859 -37.258 1.00 0.00 N
967
+ ATOM 966 CA GLU A 124 2.490 -15.485 -37.621 1.00 0.00 C
968
+ ATOM 967 C GLU A 124 1.298 -14.555 -37.419 1.00 0.00 C
969
+ ATOM 968 CB GLU A 124 2.973 -15.413 -39.072 1.00 0.00 C
970
+ ATOM 969 O GLU A 124 1.464 -13.405 -37.006 1.00 0.00 O
971
+ ATOM 970 CG GLU A 124 3.656 -14.101 -39.429 1.00 0.00 C
972
+ ATOM 971 CD GLU A 124 4.224 -14.085 -40.838 1.00 0.00 C
973
+ ATOM 972 OE1 GLU A 124 4.105 -15.106 -41.553 1.00 0.00 O
974
+ ATOM 973 OE2 GLU A 124 4.794 -13.042 -41.232 1.00 0.00 O
975
+ ATOM 974 N SER A 125 0.169 -15.071 -37.670 1.00 0.00 N
976
+ ATOM 975 CA SER A 125 -1.017 -14.224 -37.584 1.00 0.00 C
977
+ ATOM 976 C SER A 125 -1.351 -13.885 -36.135 1.00 0.00 C
978
+ ATOM 977 CB SER A 125 -2.214 -14.909 -38.246 1.00 0.00 C
979
+ ATOM 978 O SER A 125 -2.150 -12.983 -35.872 1.00 0.00 O
980
+ ATOM 979 OG SER A 125 -2.500 -16.144 -37.612 1.00 0.00 O
981
+ ATOM 980 N ASP A 126 -0.802 -14.600 -35.223 1.00 0.00 N
982
+ ATOM 981 CA ASP A 126 -1.088 -14.381 -33.808 1.00 0.00 C
983
+ ATOM 982 C ASP A 126 -0.077 -13.420 -33.186 1.00 0.00 C
984
+ ATOM 983 CB ASP A 126 -1.088 -15.709 -33.048 1.00 0.00 C
985
+ ATOM 984 O ASP A 126 -0.192 -13.065 -32.011 1.00 0.00 O
986
+ ATOM 985 CG ASP A 126 -2.303 -16.566 -33.353 1.00 0.00 C
987
+ ATOM 986 OD1 ASP A 126 -3.251 -16.073 -34.001 1.00 0.00 O
988
+ ATOM 987 OD2 ASP A 126 -2.315 -17.746 -32.940 1.00 0.00 O
989
+ ATOM 988 N ILE A 127 0.926 -13.079 -34.003 1.00 0.00 N
990
+ ATOM 989 CA ILE A 127 2.005 -12.235 -33.502 1.00 0.00 C
991
+ ATOM 990 C ILE A 127 1.710 -10.773 -33.829 1.00 0.00 C
992
+ ATOM 991 CB ILE A 127 3.370 -12.652 -34.097 1.00 0.00 C
993
+ ATOM 992 O ILE A 127 1.373 -10.441 -34.968 1.00 0.00 O
994
+ ATOM 993 CG1 ILE A 127 3.702 -14.098 -33.708 1.00 0.00 C
995
+ ATOM 994 CG2 ILE A 127 4.474 -11.694 -33.638 1.00 0.00 C
996
+ ATOM 995 CD1 ILE A 127 4.954 -14.647 -34.378 1.00 0.00 C
997
+ ATOM 996 N LEU A 128 1.742 -10.001 -32.816 1.00 0.00 N
998
+ ATOM 997 CA LEU A 128 1.553 -8.566 -32.998 1.00 0.00 C
999
+ ATOM 998 C LEU A 128 2.845 -7.807 -32.710 1.00 0.00 C
1000
+ ATOM 999 CB LEU A 128 0.433 -8.054 -32.088 1.00 0.00 C
1001
+ ATOM 1000 O LEU A 128 3.562 -8.130 -31.760 1.00 0.00 O
1002
+ ATOM 1001 CG LEU A 128 -0.948 -8.677 -32.296 1.00 0.00 C
1003
+ ATOM 1002 CD1 LEU A 128 -1.914 -8.196 -31.218 1.00 0.00 C
1004
+ ATOM 1003 CD2 LEU A 128 -1.481 -8.347 -33.685 1.00 0.00 C
1005
+ ATOM 1004 N SER A 129 3.148 -6.864 -33.553 1.00 0.00 N
1006
+ ATOM 1005 CA SER A 129 4.307 -5.993 -33.387 1.00 0.00 C
1007
+ ATOM 1006 C SER A 129 3.887 -4.532 -33.271 1.00 0.00 C
1008
+ ATOM 1007 CB SER A 129 5.277 -6.162 -34.557 1.00 0.00 C
1009
+ ATOM 1008 O SER A 129 3.104 -4.038 -34.087 1.00 0.00 O
1010
+ ATOM 1009 OG SER A 129 5.862 -7.453 -34.543 1.00 0.00 O
1011
+ ATOM 1010 N LEU A 130 4.329 -4.001 -32.224 1.00 0.00 N
1012
+ ATOM 1011 CA LEU A 130 4.053 -2.595 -31.950 1.00 0.00 C
1013
+ ATOM 1012 C LEU A 130 5.344 -1.784 -31.919 1.00 0.00 C
1014
+ ATOM 1013 CB LEU A 130 3.309 -2.444 -30.621 1.00 0.00 C
1015
+ ATOM 1014 O LEU A 130 6.329 -2.201 -31.307 1.00 0.00 O
1016
+ ATOM 1015 CG LEU A 130 1.997 -3.218 -30.486 1.00 0.00 C
1017
+ ATOM 1016 CD1 LEU A 130 2.215 -4.498 -29.685 1.00 0.00 C
1018
+ ATOM 1017 CD2 LEU A 130 0.927 -2.349 -29.835 1.00 0.00 C
1019
+ ATOM 1018 N VAL A 131 5.327 -0.660 -32.553 1.00 0.00 N
1020
+ ATOM 1019 CA VAL A 131 6.503 0.205 -32.562 1.00 0.00 C
1021
+ ATOM 1020 C VAL A 131 6.199 1.499 -31.812 1.00 0.00 C
1022
+ ATOM 1021 CB VAL A 131 6.965 0.520 -34.002 1.00 0.00 C
1023
+ ATOM 1022 O VAL A 131 5.121 2.078 -31.969 1.00 0.00 O
1024
+ ATOM 1023 CG1 VAL A 131 8.146 1.488 -33.991 1.00 0.00 C
1025
+ ATOM 1024 CG2 VAL A 131 7.333 -0.768 -34.738 1.00 0.00 C
1026
+ ATOM 1025 N ILE A 132 7.154 1.830 -30.929 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 132 7.035 2.995 -30.058 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 132 7.611 4.223 -30.758 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 132 7.749 2.764 -28.707 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 132 8.731 4.185 -31.273 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 132 7.168 1.534 -27.999 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 132 7.640 4.007 -27.820 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 132 5.731 1.713 -27.528 1.00 0.00 C
1034
+ ATOM 1033 N PHE A 133 6.800 5.235 -30.794 1.00 0.00 N
1035
+ ATOM 1034 CA PHE A 133 7.262 6.534 -31.267 1.00 0.00 C
1036
+ ATOM 1035 C PHE A 133 7.183 7.573 -30.156 1.00 0.00 C
1037
+ ATOM 1036 CB PHE A 133 6.436 6.993 -32.474 1.00 0.00 C
1038
+ ATOM 1037 O PHE A 133 6.118 7.789 -29.573 1.00 0.00 O
1039
+ ATOM 1038 CG PHE A 133 6.600 6.120 -33.688 1.00 0.00 C
1040
+ ATOM 1039 CD1 PHE A 133 7.545 6.428 -34.660 1.00 0.00 C
1041
+ ATOM 1040 CD2 PHE A 133 5.810 4.991 -33.859 1.00 0.00 C
1042
+ ATOM 1041 CE1 PHE A 133 7.698 5.622 -35.786 1.00 0.00 C
1043
+ ATOM 1042 CE2 PHE A 133 5.958 4.180 -34.981 1.00 0.00 C
1044
+ ATOM 1043 CZ PHE A 133 6.902 4.499 -35.943 1.00 0.00 C
1045
+ ATOM 1044 N ILE A 134 8.285 8.086 -29.819 1.00 0.00 N
1046
+ ATOM 1045 CA ILE A 134 8.393 9.069 -28.745 1.00 0.00 C
1047
+ ATOM 1046 C ILE A 134 8.862 10.406 -29.314 1.00 0.00 C
1048
+ ATOM 1047 CB ILE A 134 9.357 8.590 -27.637 1.00 0.00 C
1049
+ ATOM 1048 O ILE A 134 9.848 10.461 -30.053 1.00 0.00 O
1050
+ ATOM 1049 CG1 ILE A 134 8.916 7.224 -27.099 1.00 0.00 C
1051
+ ATOM 1050 CG2 ILE A 134 9.438 9.623 -26.509 1.00 0.00 C
1052
+ ATOM 1051 CD1 ILE A 134 9.917 6.582 -26.147 1.00 0.00 C
1053
+ ATOM 1052 N ASN A 135 8.070 11.383 -29.077 1.00 0.00 N
1054
+ ATOM 1053 CA ASN A 135 8.404 12.739 -29.500 1.00 0.00 C
1055
+ ATOM 1054 C ASN A 135 9.309 13.435 -28.486 1.00 0.00 C
1056
+ ATOM 1055 CB ASN A 135 7.132 13.559 -29.726 1.00 0.00 C
1057
+ ATOM 1056 O ASN A 135 9.084 13.341 -27.278 1.00 0.00 O
1058
+ ATOM 1057 CG ASN A 135 7.423 14.964 -30.217 1.00 0.00 C
1059
+ ATOM 1058 ND2 ASN A 135 6.407 15.624 -30.761 1.00 0.00 N
1060
+ ATOM 1059 OD1 ASN A 135 8.551 15.451 -30.109 1.00 0.00 O
1061
+ ATOM 1060 N ASP A 136 10.426 14.024 -28.974 1.00 0.00 N
1062
+ ATOM 1061 CA ASP A 136 11.303 14.778 -28.083 1.00 0.00 C
1063
+ ATOM 1062 C ASP A 136 10.525 15.851 -27.326 1.00 0.00 C
1064
+ ATOM 1063 CB ASP A 136 12.448 15.417 -28.873 1.00 0.00 C
1065
+ ATOM 1064 O ASP A 136 10.852 16.172 -26.182 1.00 0.00 O
1066
+ ATOM 1065 CG ASP A 136 13.455 14.402 -29.385 1.00 0.00 C
1067
+ ATOM 1066 OD1 ASP A 136 13.549 13.295 -28.812 1.00 0.00 O
1068
+ ATOM 1067 OD2 ASP A 136 14.162 14.713 -30.366 1.00 0.00 O
1069
+ ATOM 1068 N LYS A 137 9.494 16.474 -28.027 1.00 0.00 N
1070
+ ATOM 1069 CA LYS A 137 8.672 17.483 -27.367 1.00 0.00 C
1071
+ ATOM 1070 C LYS A 137 7.927 16.892 -26.173 1.00 0.00 C
1072
+ ATOM 1071 CB LYS A 137 7.677 18.095 -28.354 1.00 0.00 C
1073
+ ATOM 1072 O LYS A 137 7.589 17.609 -25.229 1.00 0.00 O
1074
+ ATOM 1073 CG LYS A 137 8.313 19.024 -29.379 1.00 0.00 C
1075
+ ATOM 1074 CD LYS A 137 7.261 19.704 -30.245 1.00 0.00 C
1076
+ ATOM 1075 CE LYS A 137 7.898 20.598 -31.300 1.00 0.00 C
1077
+ ATOM 1076 NZ LYS A 137 6.874 21.211 -32.200 1.00 0.00 N
1078
+ ATOM 1077 N PHE A 138 7.613 15.577 -26.221 1.00 0.00 N
1079
+ ATOM 1078 CA PHE A 138 6.953 14.908 -25.105 1.00 0.00 C
1080
+ ATOM 1079 C PHE A 138 7.737 15.109 -23.813 1.00 0.00 C
1081
+ ATOM 1080 CB PHE A 138 6.791 13.412 -25.393 1.00 0.00 C
1082
+ ATOM 1081 O PHE A 138 7.172 15.514 -22.794 1.00 0.00 O
1083
+ ATOM 1082 CG PHE A 138 6.170 12.640 -24.260 1.00 0.00 C
1084
+ ATOM 1083 CD1 PHE A 138 4.890 12.943 -23.812 1.00 0.00 C
1085
+ ATOM 1084 CD2 PHE A 138 6.869 11.610 -23.642 1.00 0.00 C
1086
+ ATOM 1085 CE1 PHE A 138 4.314 12.229 -22.764 1.00 0.00 C
1087
+ ATOM 1086 CE2 PHE A 138 6.300 10.893 -22.594 1.00 0.00 C
1088
+ ATOM 1087 CZ PHE A 138 5.023 11.204 -22.156 1.00 0.00 C
1089
+ ATOM 1088 N LYS A 139 8.983 14.751 -23.820 1.00 0.00 N
1090
+ ATOM 1089 CA LYS A 139 9.793 14.927 -22.618 1.00 0.00 C
1091
+ ATOM 1090 C LYS A 139 9.782 16.382 -22.156 1.00 0.00 C
1092
+ ATOM 1091 CB LYS A 139 11.230 14.468 -22.867 1.00 0.00 C
1093
+ ATOM 1092 O LYS A 139 9.707 16.657 -20.956 1.00 0.00 O
1094
+ ATOM 1093 CG LYS A 139 11.405 12.955 -22.871 1.00 0.00 C
1095
+ ATOM 1094 CD LYS A 139 12.872 12.563 -22.991 1.00 0.00 C
1096
+ ATOM 1095 CE LYS A 139 13.040 11.053 -23.091 1.00 0.00 C
1097
+ ATOM 1096 NZ LYS A 139 14.473 10.666 -23.267 1.00 0.00 N
1098
+ ATOM 1097 N GLN A 140 9.823 17.297 -23.150 1.00 0.00 N
1099
+ ATOM 1098 CA GLN A 140 9.822 18.714 -22.803 1.00 0.00 C
1100
+ ATOM 1099 C GLN A 140 8.502 19.122 -22.157 1.00 0.00 C
1101
+ ATOM 1100 CB GLN A 140 10.088 19.572 -24.042 1.00 0.00 C
1102
+ ATOM 1101 O GLN A 140 8.490 19.858 -21.168 1.00 0.00 O
1103
+ ATOM 1102 CG GLN A 140 11.531 19.526 -24.525 1.00 0.00 C
1104
+ ATOM 1103 CD GLN A 140 11.741 20.291 -25.817 1.00 0.00 C
1105
+ ATOM 1104 NE2 GLN A 140 12.957 20.232 -26.350 1.00 0.00 N
1106
+ ATOM 1105 OE1 GLN A 140 10.820 20.929 -26.334 1.00 0.00 O
1107
+ ATOM 1106 N CYS A 141 7.408 18.645 -22.722 1.00 0.00 N
1108
+ ATOM 1107 CA CYS A 141 6.081 18.929 -22.187 1.00 0.00 C
1109
+ ATOM 1108 C CYS A 141 5.933 18.379 -20.774 1.00 0.00 C
1110
+ ATOM 1109 CB CYS A 141 5.000 18.337 -23.091 1.00 0.00 C
1111
+ ATOM 1110 O CYS A 141 5.350 19.032 -19.907 1.00 0.00 O
1112
+ ATOM 1111 SG CYS A 141 4.751 19.257 -24.626 1.00 0.00 S
1113
+ ATOM 1112 N LEU A 142 6.518 17.181 -20.537 1.00 0.00 N
1114
+ ATOM 1113 CA LEU A 142 6.448 16.593 -19.204 1.00 0.00 C
1115
+ ATOM 1114 C LEU A 142 7.211 17.444 -18.194 1.00 0.00 C
1116
+ ATOM 1115 CB LEU A 142 7.011 15.169 -19.217 1.00 0.00 C
1117
+ ATOM 1116 O LEU A 142 6.727 17.683 -17.086 1.00 0.00 O
1118
+ ATOM 1117 CG LEU A 142 6.087 14.081 -19.766 1.00 0.00 C
1119
+ ATOM 1118 CD1 LEU A 142 6.857 12.778 -19.957 1.00 0.00 C
1120
+ ATOM 1119 CD2 LEU A 142 4.896 13.871 -18.837 1.00 0.00 C
1121
+ ATOM 1120 N GLU A 143 8.376 17.878 -18.586 1.00 0.00 N
1122
+ ATOM 1121 CA GLU A 143 9.203 18.697 -17.703 1.00 0.00 C
1123
+ ATOM 1122 C GLU A 143 8.517 20.022 -17.381 1.00 0.00 C
1124
+ ATOM 1123 CB GLU A 143 10.573 18.954 -18.334 1.00 0.00 C
1125
+ ATOM 1124 O GLU A 143 8.538 20.475 -16.235 1.00 0.00 O
1126
+ ATOM 1125 CG GLU A 143 11.522 17.767 -18.245 1.00 0.00 C
1127
+ ATOM 1126 CD GLU A 143 12.888 18.044 -18.853 1.00 0.00 C
1128
+ ATOM 1127 OE1 GLU A 143 13.057 19.096 -19.510 1.00 0.00 O
1129
+ ATOM 1128 OE2 GLU A 143 13.795 17.202 -18.672 1.00 0.00 O
1130
+ ATOM 1129 N GLN A 144 7.902 20.587 -18.448 1.00 0.00 N
1131
+ ATOM 1130 CA GLN A 144 7.206 21.853 -18.242 1.00 0.00 C
1132
+ ATOM 1131 C GLN A 144 6.029 21.683 -17.286 1.00 0.00 C
1133
+ ATOM 1132 CB GLN A 144 6.721 22.423 -19.576 1.00 0.00 C
1134
+ ATOM 1133 O GLN A 144 5.763 22.557 -16.458 1.00 0.00 O
1135
+ ATOM 1134 CG GLN A 144 6.220 23.858 -19.486 1.00 0.00 C
1136
+ ATOM 1135 CD GLN A 144 7.286 24.824 -19.008 1.00 0.00 C
1137
+ ATOM 1136 NE2 GLN A 144 6.931 25.675 -18.052 1.00 0.00 N
1138
+ ATOM 1137 OE1 GLN A 144 8.422 24.805 -19.493 1.00 0.00 O
1139
+ ATOM 1138 N ASN A 145 5.250 20.575 -17.393 1.00 0.00 N
1140
+ ATOM 1139 CA ASN A 145 4.145 20.278 -16.488 1.00 0.00 C
1141
+ ATOM 1140 C ASN A 145 4.630 20.091 -15.053 1.00 0.00 C
1142
+ ATOM 1141 CB ASN A 145 3.385 19.035 -16.958 1.00 0.00 C
1143
+ ATOM 1142 O ASN A 145 3.949 20.488 -14.106 1.00 0.00 O
1144
+ ATOM 1143 CG ASN A 145 2.326 19.355 -17.994 1.00 0.00 C
1145
+ ATOM 1144 ND2 ASN A 145 2.017 18.385 -18.845 1.00 0.00 N
1146
+ ATOM 1145 OD1 ASN A 145 1.791 20.467 -18.030 1.00 0.00 O
1147
+ ATOM 1146 N LYS A 146 5.784 19.491 -14.904 1.00 0.00 N
1148
+ ATOM 1147 CA LYS A 146 6.358 19.354 -13.569 1.00 0.00 C
1149
+ ATOM 1148 C LYS A 146 6.640 20.719 -12.949 1.00 0.00 C
1150
+ ATOM 1149 CB LYS A 146 7.644 18.527 -13.620 1.00 0.00 C
1151
+ ATOM 1150 O LYS A 146 6.354 20.942 -11.771 1.00 0.00 O
1152
+ ATOM 1151 CG LYS A 146 7.411 17.027 -13.732 1.00 0.00 C
1153
+ ATOM 1152 CD LYS A 146 8.722 16.253 -13.681 1.00 0.00 C
1154
+ ATOM 1153 CE LYS A 146 8.496 14.756 -13.845 1.00 0.00 C
1155
+ ATOM 1154 NZ LYS A 146 9.781 13.997 -13.845 1.00 0.00 N
1156
+ ATOM 1155 N VAL A 147 7.266 21.591 -13.780 1.00 0.00 N
1157
+ ATOM 1156 CA VAL A 147 7.604 22.930 -13.310 1.00 0.00 C
1158
+ ATOM 1157 C VAL A 147 6.328 23.691 -12.956 1.00 0.00 C
1159
+ ATOM 1158 CB VAL A 147 8.417 23.714 -14.365 1.00 0.00 C
1160
+ ATOM 1159 O VAL A 147 6.261 24.353 -11.918 1.00 0.00 O
1161
+ ATOM 1160 CG1 VAL A 147 8.589 25.172 -13.941 1.00 0.00 C
1162
+ ATOM 1161 CG2 VAL A 147 9.776 23.054 -14.589 1.00 0.00 C
1163
+ ATOM 1162 N ASP A 148 5.318 23.617 -13.817 1.00 0.00 N
1164
+ ATOM 1163 CA ASP A 148 4.061 24.317 -13.577 1.00 0.00 C
1165
+ ATOM 1164 C ASP A 148 3.383 23.810 -12.306 1.00 0.00 C
1166
+ ATOM 1165 CB ASP A 148 3.120 24.156 -14.775 1.00 0.00 C
1167
+ ATOM 1166 O ASP A 148 2.734 24.578 -11.594 1.00 0.00 O
1168
+ ATOM 1167 CG ASP A 148 3.557 24.962 -15.984 1.00 0.00 C
1169
+ ATOM 1168 OD1 ASP A 148 4.421 25.854 -15.843 1.00 0.00 O
1170
+ ATOM 1169 OD2 ASP A 148 3.029 24.706 -17.089 1.00 0.00 O
1171
+ ATOM 1170 N ARG A 149 3.571 22.527 -11.962 1.00 0.00 N
1172
+ ATOM 1171 CA ARG A 149 2.983 21.984 -10.743 1.00 0.00 C
1173
+ ATOM 1172 C ARG A 149 3.714 22.498 -9.507 1.00 0.00 C
1174
+ ATOM 1173 CB ARG A 149 3.009 20.453 -10.768 1.00 0.00 C
1175
+ ATOM 1174 O ARG A 149 3.105 22.678 -8.449 1.00 0.00 O
1176
+ ATOM 1175 CG ARG A 149 1.779 19.827 -11.404 1.00 0.00 C
1177
+ ATOM 1176 CD ARG A 149 1.783 18.311 -11.267 1.00 0.00 C
1178
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1187
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1196
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1197
+ ATOM 1196 NE ARG A 151 7.747 28.657 -12.329 1.00 0.00 N
1198
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1199
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1200
+ ATOM 1199 CZ ARG A 151 8.143 29.249 -13.452 1.00 0.00 C
1201
+ ATOM 1200 OXT ARG A 151 2.852 26.089 -9.088 1.00 0.00 O
1202
+ TER 1201 ARG A 151
1203
+ END
1j4q/1j4q_protein_processed_fix.pdb ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
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+ ###
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N LYS A 1 13.431 -5.491 29.380 1.00 0.00 N
3
+ ATOM 2 CA LYS A 1 13.787 -4.379 28.505 1.00 0.00 C
4
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5
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6
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7
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9
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12
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14
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15
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16
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17
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18
+ ATOM 17 OE1 GLU A 2 18.065 -4.787 22.385 1.00 0.00 O
19
+ ATOM 18 OE2 GLU A 2 19.860 -5.987 22.800 1.00 0.00 O
20
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21
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+ ATOM 22 CB SER A 3 20.934 -2.209 28.744 1.00 0.00 C
24
+ ATOM 23 O SER A 3 20.325 -1.989 25.493 1.00 0.00 O
25
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27
+ ATOM 26 CA ALA A 4 21.064 0.743 25.383 1.00 0.00 C
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29
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+ ATOM 29 O ALA A 4 22.585 -0.066 23.713 1.00 0.00 O
31
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32
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34
+ ATOM 33 CB ALA A 5 25.337 -1.215 26.736 1.00 0.00 C
35
+ ATOM 34 O ALA A 5 24.871 -2.719 23.832 1.00 0.00 O
36
+ ATOM 35 N ALA A 6 23.281 -3.096 25.365 1.00 0.00 N
37
+ ATOM 36 CA ALA A 6 22.937 -4.391 24.785 1.00 0.00 C
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39
+ ATOM 38 CB ALA A 6 21.963 -5.138 25.692 1.00 0.00 C
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41
+ ATOM 40 N LYS A 7 21.517 -3.229 23.316 1.00 0.00 N
42
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43
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45
+ ATOM 44 O LYS A 7 21.990 -3.015 19.851 1.00 0.00 O
46
+ ATOM 45 CG LYS A 7 19.210 -1.478 20.808 1.00 0.00 C
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+ ATOM 46 CD LYS A 7 18.197 -0.355 20.983 1.00 0.00 C
48
+ ATOM 47 CE LYS A 7 17.512 -0.008 19.668 1.00 0.00 C
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+ ATOM 48 NZ LYS A 7 16.530 1.104 19.831 1.00 0.00 N
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+ ATOM 49 N PHE A 8 23.033 -1.744 21.411 1.00 0.00 N
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
+ ATOM 64 O GLU A 9 25.685 -6.144 18.695 1.00 0.00 O
66
+ ATOM 65 CG GLU A 9 27.271 -4.840 22.809 1.00 0.00 C
67
+ ATOM 66 CD GLU A 9 27.644 -5.653 24.038 1.00 0.00 C
68
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69
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70
+ ATOM 69 N ARG A 10 23.899 -5.812 20.017 1.00 0.00 N
71
+ ATOM 70 CA ARG A 10 23.045 -6.633 19.166 1.00 0.00 C
72
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73
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74
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75
+ ATOM 74 CG ARG A 10 20.657 -7.502 18.882 1.00 0.00 C
76
+ ATOM 75 CD ARG A 10 19.307 -7.674 19.565 1.00 0.00 C
77
+ ATOM 76 NE ARG A 10 18.738 -6.391 19.967 1.00 0.00 N
78
+ ATOM 77 NH1 ARG A 10 17.896 -5.875 17.879 1.00 0.00 N
79
+ ATOM 78 NH2 ARG A 10 17.605 -4.422 19.629 1.00 0.00 N
80
+ ATOM 79 CZ ARG A 10 18.081 -5.565 19.158 1.00 0.00 C
81
+ ATOM 80 N GLN A 11 22.900 -4.737 17.654 1.00 0.00 N
82
+ ATOM 81 CA GLN A 11 22.652 -4.080 16.374 1.00 0.00 C
83
+ ATOM 82 C GLN A 11 23.945 -3.913 15.583 1.00 0.00 C
84
+ ATOM 83 CB GLN A 11 21.988 -2.718 16.589 1.00 0.00 C
85
+ ATOM 84 O GLN A 11 23.933 -3.942 14.350 1.00 0.00 O
86
+ ATOM 85 CG GLN A 11 20.558 -2.806 17.107 1.00 0.00 C
87
+ ATOM 86 CD GLN A 11 19.874 -1.455 17.173 1.00 0.00 C
88
+ ATOM 87 NE2 GLN A 11 18.548 -1.465 17.271 1.00 0.00 N
89
+ ATOM 88 OE1 GLN A 11 20.531 -0.409 17.137 1.00 0.00 O
90
+ ATOM 89 N HIS A 12 25.091 -3.821 16.241 1.00 0.00 N
91
+ ATOM 90 CA HIS A 12 26.232 -3.320 15.484 1.00 0.00 C
92
+ ATOM 91 C HIS A 12 27.418 -4.275 15.579 1.00 0.00 C
93
+ ATOM 92 CB HIS A 12 26.636 -1.931 15.981 1.00 0.00 C
94
+ ATOM 93 O HIS A 12 28.360 -4.182 14.789 1.00 0.00 O
95
+ ATOM 94 CG HIS A 12 25.573 -0.896 15.796 1.00 0.00 C
96
+ ATOM 95 CD2 HIS A 12 24.740 -0.307 16.686 1.00 0.00 C
97
+ ATOM 96 ND1 HIS A 12 25.272 -0.351 14.566 1.00 0.00 N
98
+ ATOM 97 CE1 HIS A 12 24.297 0.530 14.709 1.00 0.00 C
99
+ ATOM 98 NE2 HIS A 12 23.955 0.576 15.985 1.00 0.00 N
100
+ ATOM 99 N MET A 13 27.411 -5.115 16.540 1.00 0.00 N
101
+ ATOM 100 CA MET A 13 28.563 -5.997 16.706 1.00 0.00 C
102
+ ATOM 101 C MET A 13 28.367 -7.299 15.937 1.00 0.00 C
103
+ ATOM 102 CB MET A 13 28.803 -6.295 18.187 1.00 0.00 C
104
+ ATOM 103 O MET A 13 27.329 -7.951 16.066 1.00 0.00 O
105
+ ATOM 104 CG MET A 13 29.033 -5.053 19.033 1.00 0.00 C
106
+ ATOM 105 SD MET A 13 30.455 -4.054 18.443 1.00 0.00 S
107
+ ATOM 106 CE MET A 13 31.796 -5.260 18.642 1.00 0.00 C
108
+ ATOM 107 N ASP A 14 29.303 -7.593 15.133 1.00 0.00 N
109
+ ATOM 108 CA ASP A 14 29.340 -8.871 14.430 1.00 0.00 C
110
+ ATOM 109 C ASP A 14 30.778 -9.344 14.226 1.00 0.00 C
111
+ ATOM 110 CB ASP A 14 28.626 -8.764 13.081 1.00 0.00 C
112
+ ATOM 111 O ASP A 14 31.535 -8.736 13.467 1.00 0.00 O
113
+ ATOM 112 CG ASP A 14 28.341 -10.116 12.452 1.00 0.00 C
114
+ ATOM 113 OD1 ASP A 14 29.262 -10.959 12.376 1.00 0.00 O
115
+ ATOM 114 OD2 ASP A 14 27.189 -10.340 12.025 1.00 0.00 O
116
+ ATOM 115 N SER A 15 31.234 -10.358 15.049 1.00 0.00 N
117
+ ATOM 116 CA SER A 15 32.604 -10.853 14.961 1.00 0.00 C
118
+ ATOM 117 C SER A 15 32.748 -11.888 13.851 1.00 0.00 C
119
+ ATOM 118 CB SER A 15 33.042 -11.459 16.295 1.00 0.00 C
120
+ ATOM 119 O SER A 15 33.849 -12.377 13.590 1.00 0.00 O
121
+ ATOM 120 OG SER A 15 32.161 -12.496 16.689 1.00 0.00 O
122
+ ATOM 121 N GLY A 16 31.661 -12.207 13.219 1.00 0.00 N
123
+ ATOM 122 CA GLY A 16 31.629 -13.322 12.286 1.00 0.00 C
124
+ ATOM 123 C GLY A 16 32.203 -12.977 10.925 1.00 0.00 C
125
+ ATOM 124 O GLY A 16 32.503 -11.815 10.648 1.00 0.00 O
126
+ ATOM 125 N SER A 17 32.696 -14.064 10.217 1.00 0.00 N
127
+ ATOM 126 CA SER A 17 33.354 -13.985 8.917 1.00 0.00 C
128
+ ATOM 127 C SER A 17 32.372 -13.582 7.823 1.00 0.00 C
129
+ ATOM 128 CB SER A 17 34.005 -15.323 8.563 1.00 0.00 C
130
+ ATOM 129 O SER A 17 32.773 -13.313 6.689 1.00 0.00 O
131
+ ATOM 130 OG SER A 17 33.077 -16.386 8.703 1.00 0.00 O
132
+ ATOM 131 N SER A 18 31.057 -13.764 8.144 1.00 0.00 N
133
+ ATOM 132 CA SER A 18 30.167 -13.445 7.032 1.00 0.00 C
134
+ ATOM 133 C SER A 18 29.867 -11.951 6.975 1.00 0.00 C
135
+ ATOM 134 CB SER A 18 28.860 -14.231 7.149 1.00 0.00 C
136
+ ATOM 135 O SER A 18 29.592 -11.328 8.002 1.00 0.00 O
137
+ ATOM 136 OG SER A 18 27.879 -13.710 6.269 1.00 0.00 O
138
+ ATOM 137 N ASN A 19 30.453 -11.292 5.952 1.00 0.00 N
139
+ ATOM 138 CA ASN A 19 30.241 -9.894 5.592 1.00 0.00 C
140
+ ATOM 139 C ASN A 19 29.040 -9.729 4.666 1.00 0.00 C
141
+ ATOM 140 CB ASN A 19 31.498 -9.311 4.942 1.00 0.00 C
142
+ ATOM 141 O ASN A 19 29.077 -8.929 3.730 1.00 0.00 O
143
+ ATOM 142 CG ASN A 19 32.709 -9.372 5.852 1.00 0.00 C
144
+ ATOM 143 ND2 ASN A 19 33.895 -9.404 5.258 1.00 0.00 N
145
+ ATOM 144 OD1 ASN A 19 32.578 -9.391 7.079 1.00 0.00 O
146
+ ATOM 145 N TYR A 20 28.108 -10.606 4.879 1.00 0.00 N
147
+ ATOM 146 CA TYR A 20 26.988 -10.561 3.945 1.00 0.00 C
148
+ ATOM 147 C TYR A 20 25.746 -9.980 4.609 1.00 0.00 C
149
+ ATOM 148 CB TYR A 20 26.684 -11.961 3.403 1.00 0.00 C
150
+ ATOM 149 O TYR A 20 25.158 -10.605 5.495 1.00 0.00 O
151
+ ATOM 150 CG TYR A 20 25.797 -11.960 2.181 1.00 0.00 C
152
+ ATOM 151 CD1 TYR A 20 24.735 -12.853 2.065 1.00 0.00 C
153
+ ATOM 152 CD2 TYR A 20 26.021 -11.065 1.140 1.00 0.00 C
154
+ ATOM 153 CE1 TYR A 20 23.918 -12.856 0.940 1.00 0.00 C
155
+ ATOM 154 CE2 TYR A 20 25.209 -11.060 0.010 1.00 0.00 C
156
+ ATOM 155 OH TYR A 20 23.355 -11.956 -1.196 1.00 0.00 O
157
+ ATOM 156 CZ TYR A 20 24.162 -11.957 -0.081 1.00 0.00 C
158
+ ATOM 157 N CYS A 21 25.360 -8.771 4.172 1.00 0.00 N
159
+ ATOM 158 CA CYS A 21 24.309 -7.975 4.796 1.00 0.00 C
160
+ ATOM 159 C CYS A 21 23.003 -8.757 4.868 1.00 0.00 C
161
+ ATOM 160 CB CYS A 21 24.093 -6.673 4.026 1.00 0.00 C
162
+ ATOM 161 O CYS A 21 22.303 -8.713 5.882 1.00 0.00 O
163
+ ATOM 162 SG CYS A 21 25.309 -5.392 4.406 1.00 0.00 S
164
+ ATOM 163 N ASN A 22 22.668 -9.474 3.772 1.00 0.00 N
165
+ ATOM 164 CA ASN A 22 21.383 -10.166 3.766 1.00 0.00 C
166
+ ATOM 165 C ASN A 22 21.297 -11.198 4.887 1.00 0.00 C
167
+ ATOM 166 CB ASN A 22 21.138 -10.831 2.411 1.00 0.00 C
168
+ ATOM 167 O ASN A 22 20.208 -11.496 5.381 1.00 0.00 O
169
+ ATOM 168 CG ASN A 22 20.818 -9.830 1.318 1.00 0.00 C
170
+ ATOM 169 ND2 ASN A 22 21.142 -10.181 0.079 1.00 0.00 N
171
+ ATOM 170 OD1 ASN A 22 20.285 -8.749 1.585 1.00 0.00 O
172
+ ATOM 171 N LEU A 23 22.433 -11.703 5.295 1.00 0.00 N
173
+ ATOM 172 CA LEU A 23 22.473 -12.643 6.409 1.00 0.00 C
174
+ ATOM 173 C LEU A 23 22.549 -11.903 7.741 1.00 0.00 C
175
+ ATOM 174 CB LEU A 23 23.668 -13.590 6.270 1.00 0.00 C
176
+ ATOM 175 O LEU A 23 21.798 -12.210 8.670 1.00 0.00 O
177
+ ATOM 176 CG LEU A 23 23.773 -14.707 7.309 1.00 0.00 C
178
+ ATOM 177 CD1 LEU A 23 22.588 -15.658 7.186 1.00 0.00 C
179
+ ATOM 178 CD2 LEU A 23 25.089 -15.462 7.151 1.00 0.00 C
180
+ ATOM 179 N MET A 24 23.367 -10.896 7.874 1.00 0.00 N
181
+ ATOM 180 CA MET A 24 23.597 -10.183 9.127 1.00 0.00 C
182
+ ATOM 181 C MET A 24 22.357 -9.399 9.544 1.00 0.00 C
183
+ ATOM 182 CB MET A 24 24.793 -9.239 8.998 1.00 0.00 C
184
+ ATOM 183 O MET A 24 22.058 -9.289 10.734 1.00 0.00 O
185
+ ATOM 184 CG MET A 24 26.126 -9.955 8.852 1.00 0.00 C
186
+ ATOM 185 SD MET A 24 27.555 -8.807 8.945 1.00 0.00 S
187
+ ATOM 186 CE MET A 24 27.400 -7.973 7.340 1.00 0.00 C
188
+ ATOM 187 N MET A 25 21.595 -8.905 8.550 1.00 0.00 N
189
+ ATOM 188 CA MET A 25 20.431 -8.064 8.810 1.00 0.00 C
190
+ ATOM 189 C MET A 25 19.246 -8.904 9.273 1.00 0.00 C
191
+ ATOM 190 CB MET A 25 20.051 -7.268 7.560 1.00 0.00 C
192
+ ATOM 191 O MET A 25 18.250 -8.365 9.759 1.00 0.00 O
193
+ ATOM 192 CG MET A 25 21.010 -6.132 7.242 1.00 0.00 C
194
+ ATOM 193 SD MET A 25 20.997 -4.821 8.528 1.00 0.00 S
195
+ ATOM 194 CE MET A 25 19.400 -4.038 8.171 1.00 0.00 C
196
+ ATOM 195 N ARG A 26 19.258 -10.221 9.185 1.00 0.00 N
197
+ ATOM 196 CA ARG A 26 18.156 -11.086 9.592 1.00 0.00 C
198
+ ATOM 197 C ARG A 26 17.877 -10.953 11.085 1.00 0.00 C
199
+ ATOM 198 CB ARG A 26 18.463 -12.546 9.246 1.00 0.00 C
200
+ ATOM 199 O ARG A 26 16.728 -11.055 11.518 1.00 0.00 O
201
+ ATOM 200 CG ARG A 26 18.368 -12.859 7.761 1.00 0.00 C
202
+ ATOM 201 CD ARG A 26 18.566 -14.343 7.484 1.00 0.00 C
203
+ ATOM 202 NE ARG A 26 18.486 -14.640 6.058 1.00 0.00 N
204
+ ATOM 203 NH1 ARG A 26 18.947 -16.892 6.289 1.00 0.00 N
205
+ ATOM 204 NH2 ARG A 26 18.573 -16.003 4.210 1.00 0.00 N
206
+ ATOM 205 CZ ARG A 26 18.668 -15.844 5.523 1.00 0.00 C
207
+ ATOM 206 N LYS A 27 18.944 -10.668 11.832 1.00 0.00 N
208
+ ATOM 207 CA LYS A 27 18.739 -10.559 13.273 1.00 0.00 C
209
+ ATOM 208 C LYS A 27 18.143 -9.204 13.644 1.00 0.00 C
210
+ ATOM 209 CB LYS A 27 20.057 -10.773 14.020 1.00 0.00 C
211
+ ATOM 210 O LYS A 27 17.727 -8.993 14.784 1.00 0.00 O
212
+ ATOM 211 CG LYS A 27 21.099 -9.696 13.759 1.00 0.00 C
213
+ ATOM 212 CD LYS A 27 22.410 -10.002 14.472 1.00 0.00 C
214
+ ATOM 213 CE LYS A 27 23.465 -8.943 14.183 1.00 0.00 C
215
+ ATOM 214 NZ LYS A 27 24.721 -9.187 14.953 1.00 0.00 N
216
+ ATOM 215 N MET A 28 18.200 -8.204 12.692 1.00 0.00 N
217
+ ATOM 216 CA MET A 28 17.712 -6.849 12.924 1.00 0.00 C
218
+ ATOM 217 C MET A 28 16.250 -6.719 12.510 1.00 0.00 C
219
+ ATOM 218 CB MET A 28 18.564 -5.832 12.162 1.00 0.00 C
220
+ ATOM 219 O MET A 28 15.602 -5.715 12.810 1.00 0.00 O
221
+ ATOM 220 CG MET A 28 20.024 -5.819 12.582 1.00 0.00 C
222
+ ATOM 221 SD MET A 28 20.250 -5.290 14.325 1.00 0.00 S
223
+ ATOM 222 CE MET A 28 20.625 -6.888 15.098 1.00 0.00 C
224
+ ATOM 223 N THR A 29 15.780 -7.706 11.712 1.00 0.00 N
225
+ ATOM 224 CA THR A 29 14.455 -7.641 11.104 1.00 0.00 C
226
+ ATOM 225 C THR A 29 13.377 -8.018 12.117 1.00 0.00 C
227
+ ATOM 226 CB THR A 29 14.356 -8.567 9.878 1.00 0.00 C
228
+ ATOM 227 O THR A 29 13.336 -9.152 12.596 1.00 0.00 O
229
+ ATOM 228 CG2 THR A 29 13.307 -8.063 8.892 1.00 0.00 C
230
+ ATOM 229 OG1 THR A 29 15.628 -8.617 9.221 1.00 0.00 O
231
+ ATOM 230 N GLN A 30 12.709 -6.883 12.647 1.00 0.00 N
232
+ ATOM 231 CA GLN A 30 11.616 -6.971 13.611 1.00 0.00 C
233
+ ATOM 232 C GLN A 30 10.328 -6.389 13.037 1.00 0.00 C
234
+ ATOM 233 CB GLN A 30 11.986 -6.250 14.909 1.00 0.00 C
235
+ ATOM 234 O GLN A 30 9.943 -5.268 13.375 1.00 0.00 O
236
+ ATOM 235 CG GLN A 30 13.107 -6.924 15.690 1.00 0.00 C
237
+ ATOM 236 CD GLN A 30 13.312 -6.315 17.063 1.00 0.00 C
238
+ ATOM 237 NE2 GLN A 30 14.134 -6.964 17.883 1.00 0.00 N
239
+ ATOM 238 OE1 GLN A 30 12.740 -5.270 17.386 1.00 0.00 O
240
+ ATOM 239 N GLY A 31 9.741 -7.019 12.089 1.00 0.00 N
241
+ ATOM 240 CA GLY A 31 8.460 -6.653 11.503 1.00 0.00 C
242
+ ATOM 241 C GLY A 31 8.595 -5.760 10.285 1.00 0.00 C
243
+ ATOM 242 O GLY A 31 7.623 -5.538 9.559 1.00 0.00 O
244
+ ATOM 243 N LYS A 32 9.722 -5.124 10.078 1.00 0.00 N
245
+ ATOM 244 CA LYS A 32 10.010 -4.296 8.912 1.00 0.00 C
246
+ ATOM 245 C LYS A 32 11.491 -4.356 8.546 1.00 0.00 C
247
+ ATOM 246 CB LYS A 32 9.590 -2.848 9.163 1.00 0.00 C
248
+ ATOM 247 O LYS A 32 12.315 -4.803 9.347 1.00 0.00 O
249
+ ATOM 248 CG LYS A 32 10.353 -2.169 10.292 1.00 0.00 C
250
+ ATOM 249 CD LYS A 32 9.864 -0.745 10.521 1.00 0.00 C
251
+ ATOM 250 CE LYS A 32 10.614 -0.073 11.663 1.00 0.00 C
252
+ ATOM 251 NZ LYS A 32 10.118 1.314 11.911 1.00 0.00 N
253
+ ATOM 252 N CYS A 33 11.751 -4.049 7.334 1.00 0.00 N
254
+ ATOM 253 CA CYS A 33 13.146 -3.993 6.908 1.00 0.00 C
255
+ ATOM 254 C CYS A 33 13.834 -2.750 7.457 1.00 0.00 C
256
+ ATOM 255 CB CYS A 33 13.242 -4.008 5.383 1.00 0.00 C
257
+ ATOM 256 O CYS A 33 13.329 -1.635 7.303 1.00 0.00 O
258
+ ATOM 257 SG CYS A 33 12.466 -5.450 4.619 1.00 0.00 S
259
+ ATOM 258 N LYS A 34 14.880 -2.897 8.206 1.00 0.00 N
260
+ ATOM 259 CA LYS A 34 15.679 -1.752 8.635 1.00 0.00 C
261
+ ATOM 260 C LYS A 34 16.430 -1.134 7.460 1.00 0.00 C
262
+ ATOM 261 CB LYS A 34 16.665 -2.166 9.728 1.00 0.00 C
263
+ ATOM 262 O LYS A 34 17.187 -1.820 6.770 1.00 0.00 O
264
+ ATOM 263 CG LYS A 34 17.393 -1.000 10.379 1.00 0.00 C
265
+ ATOM 264 CD LYS A 34 18.177 -1.445 11.608 1.00 0.00 C
266
+ ATOM 265 CE LYS A 34 18.921 -0.282 12.249 1.00 0.00 C
267
+ ATOM 266 NZ LYS A 34 19.604 -0.691 13.512 1.00 0.00 N
268
+ ATOM 267 N PRO A 35 16.244 0.100 7.245 1.00 0.00 N
269
+ ATOM 268 CA PRO A 35 16.787 0.708 6.028 1.00 0.00 C
270
+ ATOM 269 C PRO A 35 18.315 0.707 6.000 1.00 0.00 C
271
+ ATOM 270 CB PRO A 35 16.243 2.138 6.076 1.00 0.00 C
272
+ ATOM 271 O PRO A 35 18.915 0.539 4.935 1.00 0.00 O
273
+ ATOM 272 CG PRO A 35 14.978 2.040 6.867 1.00 0.00 C
274
+ ATOM 273 CD PRO A 35 15.138 0.950 7.888 1.00 0.00 C
275
+ ATOM 274 N VAL A 36 18.953 0.911 7.141 1.00 0.00 N
276
+ ATOM 275 CA VAL A 36 20.410 0.992 7.171 1.00 0.00 C
277
+ ATOM 276 C VAL A 36 20.931 0.445 8.496 1.00 0.00 C
278
+ ATOM 277 CB VAL A 36 20.902 2.443 6.962 1.00 0.00 C
279
+ ATOM 278 O VAL A 36 20.285 0.596 9.535 1.00 0.00 O
280
+ ATOM 279 CG1 VAL A 36 22.423 2.520 7.084 1.00 0.00 C
281
+ ATOM 280 CG2 VAL A 36 20.443 2.971 5.605 1.00 0.00 C
282
+ ATOM 281 N ASN A 37 22.085 -0.171 8.449 1.00 0.00 N
283
+ ATOM 282 CA ASN A 37 22.822 -0.593 9.635 1.00 0.00 C
284
+ ATOM 283 C ASN A 37 24.312 -0.747 9.344 1.00 0.00 C
285
+ ATOM 284 CB ASN A 37 22.250 -1.902 10.185 1.00 0.00 C
286
+ ATOM 285 O ASN A 37 24.703 -0.994 8.202 1.00 0.00 O
287
+ ATOM 286 CG ASN A 37 22.682 -2.173 11.612 1.00 0.00 C
288
+ ATOM 287 ND2 ASN A 37 23.609 -3.108 11.784 1.00 0.00 N
289
+ ATOM 288 OD1 ASN A 37 22.185 -1.549 12.554 1.00 0.00 O
290
+ ATOM 289 N THR A 38 25.088 -0.546 10.340 1.00 0.00 N
291
+ ATOM 290 CA THR A 38 26.529 -0.759 10.252 1.00 0.00 C
292
+ ATOM 291 C THR A 38 26.978 -1.827 11.246 1.00 0.00 C
293
+ ATOM 292 CB THR A 38 27.303 0.547 10.511 1.00 0.00 C
294
+ ATOM 293 O THR A 38 26.625 -1.772 12.425 1.00 0.00 O
295
+ ATOM 294 CG2 THR A 38 28.807 0.327 10.387 1.00 0.00 C
296
+ ATOM 295 OG1 THR A 38 26.895 1.535 9.557 1.00 0.00 O
297
+ ATOM 296 N PHE A 39 27.738 -2.778 10.806 1.00 0.00 N
298
+ ATOM 297 CA PHE A 39 28.315 -3.799 11.672 1.00 0.00 C
299
+ ATOM 298 C PHE A 39 29.813 -3.583 11.838 1.00 0.00 C
300
+ ATOM 299 CB PHE A 39 28.044 -5.198 11.109 1.00 0.00 C
301
+ ATOM 300 O PHE A 39 30.525 -3.350 10.859 1.00 0.00 O
302
+ ATOM 301 CG PHE A 39 26.589 -5.579 11.103 1.00 0.00 C
303
+ ATOM 302 CD1 PHE A 39 25.989 -6.108 12.239 1.00 0.00 C
304
+ ATOM 303 CD2 PHE A 39 25.820 -5.408 9.959 1.00 0.00 C
305
+ ATOM 304 CE1 PHE A 39 24.641 -6.461 12.235 1.00 0.00 C
306
+ ATOM 305 CE2 PHE A 39 24.473 -5.759 9.947 1.00 0.00 C
307
+ ATOM 306 CZ PHE A 39 23.886 -6.286 11.085 1.00 0.00 C
308
+ ATOM 307 N VAL A 40 30.203 -3.627 13.067 1.00 0.00 N
309
+ ATOM 308 CA VAL A 40 31.619 -3.517 13.399 1.00 0.00 C
310
+ ATOM 309 C VAL A 40 32.199 -4.907 13.657 1.00 0.00 C
311
+ ATOM 310 CB VAL A 40 31.845 -2.609 14.629 1.00 0.00 C
312
+ ATOM 311 O VAL A 40 31.636 -5.688 14.427 1.00 0.00 O
313
+ ATOM 312 CG1 VAL A 40 33.337 -2.429 14.901 1.00 0.00 C
314
+ ATOM 313 CG2 VAL A 40 31.168 -1.255 14.424 1.00 0.00 C
315
+ ATOM 314 N HIS A 41 33.323 -5.207 13.059 1.00 0.00 N
316
+ ATOM 315 CA HIS A 41 33.846 -6.568 13.089 1.00 0.00 C
317
+ ATOM 316 C HIS A 41 34.988 -6.698 14.092 1.00 0.00 C
318
+ ATOM 317 CB HIS A 41 34.320 -6.990 11.698 1.00 0.00 C
319
+ ATOM 318 O HIS A 41 35.550 -7.781 14.263 1.00 0.00 O
320
+ ATOM 319 CG HIS A 41 33.224 -7.041 10.680 1.00 0.00 C
321
+ ATOM 320 CD2 HIS A 41 32.924 -6.211 9.654 1.00 0.00 C
322
+ ATOM 321 ND1 HIS A 41 32.277 -8.042 10.657 1.00 0.00 N
323
+ ATOM 322 CE1 HIS A 41 31.440 -7.824 9.655 1.00 0.00 C
324
+ ATOM 323 NE2 HIS A 41 31.811 -6.719 9.032 1.00 0.00 N
325
+ ATOM 324 N GLU A 42 35.288 -5.642 14.744 1.00 0.00 N
326
+ ATOM 325 CA GLU A 42 36.295 -5.677 15.800 1.00 0.00 C
327
+ ATOM 326 C GLU A 42 35.739 -6.311 17.072 1.00 0.00 C
328
+ ATOM 327 CB GLU A 42 36.812 -4.267 16.097 1.00 0.00 C
329
+ ATOM 328 O GLU A 42 34.531 -6.524 17.189 1.00 0.00 O
330
+ ATOM 329 CG GLU A 42 37.427 -3.571 14.892 1.00 0.00 C
331
+ ATOM 330 CD GLU A 42 38.608 -4.325 14.302 1.00 0.00 C
332
+ ATOM 331 OE1 GLU A 42 39.311 -5.037 15.054 1.00 0.00 O
333
+ ATOM 332 OE2 GLU A 42 38.834 -4.201 13.077 1.00 0.00 O
334
+ ATOM 333 N SER A 43 36.668 -6.589 17.946 1.00 0.00 N
335
+ ATOM 334 CA SER A 43 36.224 -7.143 19.220 1.00 0.00 C
336
+ ATOM 335 C SER A 43 35.406 -6.127 20.011 1.00 0.00 C
337
+ ATOM 336 CB SER A 43 37.421 -7.604 20.051 1.00 0.00 C
338
+ ATOM 337 O SER A 43 35.602 -4.919 19.866 1.00 0.00 O
339
+ ATOM 338 OG SER A 43 38.149 -6.492 20.545 1.00 0.00 O
340
+ ATOM 339 N LEU A 44 34.465 -6.634 20.731 1.00 0.00 N
341
+ ATOM 340 CA LEU A 44 33.662 -5.775 21.595 1.00 0.00 C
342
+ ATOM 341 C LEU A 44 34.550 -4.952 22.520 1.00 0.00 C
343
+ ATOM 342 CB LEU A 44 32.681 -6.612 22.420 1.00 0.00 C
344
+ ATOM 343 O LEU A 44 34.265 -3.781 22.784 1.00 0.00 O
345
+ ATOM 344 CG LEU A 44 31.794 -5.844 23.402 1.00 0.00 C
346
+ ATOM 345 CD1 LEU A 44 30.990 -4.778 22.668 1.00 0.00 C
347
+ ATOM 346 CD2 LEU A 44 30.871 -6.801 24.149 1.00 0.00 C
348
+ ATOM 347 N ALA A 45 35.624 -5.557 23.035 1.00 0.00 N
349
+ ATOM 348 CA ALA A 45 36.559 -4.848 23.905 1.00 0.00 C
350
+ ATOM 349 C ALA A 45 37.160 -3.638 23.195 1.00 0.00 C
351
+ ATOM 350 CB ALA A 45 37.666 -5.789 24.376 1.00 0.00 C
352
+ ATOM 351 O ALA A 45 37.292 -2.565 23.787 1.00 0.00 O
353
+ ATOM 352 N ASP A 46 37.529 -3.786 21.932 1.00 0.00 N
354
+ ATOM 353 CA ASP A 46 38.100 -2.689 21.155 1.00 0.00 C
355
+ ATOM 354 C ASP A 46 37.069 -1.589 20.918 1.00 0.00 C
356
+ ATOM 355 CB ASP A 46 38.638 -3.204 19.817 1.00 0.00 C
357
+ ATOM 356 O ASP A 46 37.394 -0.401 20.982 1.00 0.00 O
358
+ ATOM 357 CG ASP A 46 39.891 -4.047 19.967 1.00 0.00 C
359
+ ATOM 358 OD1 ASP A 46 40.630 -3.870 20.959 1.00 0.00 O
360
+ ATOM 359 OD2 ASP A 46 40.144 -4.894 19.083 1.00 0.00 O
361
+ ATOM 360 N VAL A 47 35.835 -1.998 20.667 1.00 0.00 N
362
+ ATOM 361 CA VAL A 47 34.792 -1.010 20.412 1.00 0.00 C
363
+ ATOM 362 C VAL A 47 34.442 -0.283 21.709 1.00 0.00 C
364
+ ATOM 363 CB VAL A 47 33.529 -1.662 19.808 1.00 0.00 C
365
+ ATOM 364 O VAL A 47 34.228 0.932 21.707 1.00 0.00 O
366
+ ATOM 365 CG1 VAL A 47 32.404 -0.637 19.675 1.00 0.00 C
367
+ ATOM 366 CG2 VAL A 47 33.848 -2.289 18.452 1.00 0.00 C
368
+ ATOM 367 N LYS A 48 34.451 -0.937 22.850 1.00 0.00 N
369
+ ATOM 368 CA LYS A 48 34.206 -0.285 24.134 1.00 0.00 C
370
+ ATOM 369 C LYS A 48 35.321 0.700 24.472 1.00 0.00 C
371
+ ATOM 370 CB LYS A 48 34.068 -1.324 25.247 1.00 0.00 C
372
+ ATOM 371 O LYS A 48 35.072 1.744 25.077 1.00 0.00 O
373
+ ATOM 372 CG LYS A 48 32.734 -2.056 25.250 1.00 0.00 C
374
+ ATOM 373 CD LYS A 48 32.655 -3.070 26.384 1.00 0.00 C
375
+ ATOM 374 CE LYS A 48 31.296 -3.755 26.429 1.00 0.00 C
376
+ ATOM 375 NZ LYS A 48 31.217 -4.757 27.534 1.00 0.00 N
377
+ ATOM 376 N ALA A 49 36.487 0.333 24.051 1.00 0.00 N
378
+ ATOM 377 CA ALA A 49 37.642 1.177 24.343 1.00 0.00 C
379
+ ATOM 378 C ALA A 49 37.535 2.521 23.629 1.00 0.00 C
380
+ ATOM 379 CB ALA A 49 38.935 0.469 23.942 1.00 0.00 C
381
+ ATOM 380 O ALA A 49 38.217 3.482 23.993 1.00 0.00 O
382
+ ATOM 381 N VAL A 50 36.701 2.644 22.562 1.00 0.00 N
383
+ ATOM 382 CA VAL A 50 36.533 3.885 21.812 1.00 0.00 C
384
+ ATOM 383 C VAL A 50 36.030 4.987 22.741 1.00 0.00 C
385
+ ATOM 384 CB VAL A 50 35.561 3.703 20.625 1.00 0.00 C
386
+ ATOM 385 O VAL A 50 36.346 6.163 22.549 1.00 0.00 O
387
+ ATOM 386 CG1 VAL A 50 35.266 5.047 19.959 1.00 0.00 C
388
+ ATOM 387 CG2 VAL A 50 36.135 2.715 19.612 1.00 0.00 C
389
+ ATOM 388 N CYS A 51 35.300 4.626 23.802 1.00 0.00 N
390
+ ATOM 389 CA CYS A 51 34.664 5.571 24.713 1.00 0.00 C
391
+ ATOM 390 C CYS A 51 35.705 6.323 25.533 1.00 0.00 C
392
+ ATOM 391 CB CYS A 51 33.692 4.847 25.645 1.00 0.00 C
393
+ ATOM 392 O CYS A 51 35.374 7.278 26.239 1.00 0.00 O
394
+ ATOM 393 SG CYS A 51 32.166 4.319 24.836 1.00 0.00 S
395
+ ATOM 394 N SER A 52 36.919 5.987 25.497 1.00 0.00 N
396
+ ATOM 395 CA SER A 52 37.988 6.687 26.202 1.00 0.00 C
397
+ ATOM 396 C SER A 52 38.978 7.312 25.225 1.00 0.00 C
398
+ ATOM 397 CB SER A 52 38.724 5.732 27.144 1.00 0.00 C
399
+ ATOM 398 O SER A 52 40.110 7.627 25.596 1.00 0.00 O
400
+ ATOM 399 OG SER A 52 37.824 5.145 28.068 1.00 0.00 O
401
+ ATOM 400 N GLN A 53 38.570 7.444 23.998 1.00 0.00 N
402
+ ATOM 401 CA GLN A 53 39.483 7.987 22.997 1.00 0.00 C
403
+ ATOM 402 C GLN A 53 39.151 9.443 22.684 1.00 0.00 C
404
+ ATOM 403 CB GLN A 53 39.437 7.151 21.718 1.00 0.00 C
405
+ ATOM 404 O GLN A 53 38.979 10.256 23.594 1.00 0.00 O
406
+ ATOM 405 CG GLN A 53 39.915 5.717 21.902 1.00 0.00 C
407
+ ATOM 406 CD GLN A 53 39.901 4.922 20.610 1.00 0.00 C
408
+ ATOM 407 NE2 GLN A 53 39.985 3.601 20.725 1.00 0.00 N
409
+ ATOM 408 OE1 GLN A 53 39.815 5.491 19.517 1.00 0.00 O
410
+ ATOM 409 N LYS A 54 39.128 9.829 21.375 1.00 0.00 N
411
+ ATOM 410 CA LYS A 54 38.945 11.223 20.984 1.00 0.00 C
412
+ ATOM 411 C LYS A 54 37.481 11.639 21.097 1.00 0.00 C
413
+ ATOM 412 CB LYS A 54 39.446 11.450 19.557 1.00 0.00 C
414
+ ATOM 413 O LYS A 54 36.628 11.130 20.366 1.00 0.00 O
415
+ ATOM 414 CG LYS A 54 39.321 12.890 19.079 1.00 0.00 C
416
+ ATOM 415 CD LYS A 54 39.731 13.031 17.619 1.00 0.00 C
417
+ ATOM 416 CE LYS A 54 39.522 14.453 17.114 1.00 0.00 C
418
+ ATOM 417 NZ LYS A 54 39.855 14.580 15.663 1.00 0.00 N
419
+ ATOM 418 N LYS A 55 37.233 12.544 21.995 1.00 0.00 N
420
+ ATOM 419 CA LYS A 55 35.884 13.085 22.139 1.00 0.00 C
421
+ ATOM 420 C LYS A 55 35.522 13.980 20.958 1.00 0.00 C
422
+ ATOM 421 CB LYS A 55 35.755 13.865 23.447 1.00 0.00 C
423
+ ATOM 422 O LYS A 55 36.315 14.831 20.551 1.00 0.00 O
424
+ ATOM 423 CG LYS A 55 34.318 14.123 23.875 1.00 0.00 C
425
+ ATOM 424 CD LYS A 55 34.244 14.638 25.307 1.00 0.00 C
426
+ ATOM 425 CE LYS A 55 32.805 14.727 25.797 1.00 0.00 C
427
+ ATOM 426 NZ LYS A 55 32.734 15.096 27.242 1.00 0.00 N
428
+ ATOM 427 N VAL A 56 34.240 13.849 20.381 1.00 0.00 N
429
+ ATOM 428 CA VAL A 56 33.737 14.625 19.251 1.00 0.00 C
430
+ ATOM 429 C VAL A 56 32.267 14.970 19.474 1.00 0.00 C
431
+ ATOM 430 CB VAL A 56 33.910 13.864 17.919 1.00 0.00 C
432
+ ATOM 431 O VAL A 56 31.616 14.402 20.356 1.00 0.00 O
433
+ ATOM 432 CG1 VAL A 56 35.388 13.599 17.635 1.00 0.00 C
434
+ ATOM 433 CG2 VAL A 56 33.126 12.553 17.947 1.00 0.00 C
435
+ ATOM 434 N THR A 57 31.762 15.927 18.708 1.00 0.00 N
436
+ ATOM 435 CA THR A 57 30.348 16.281 18.769 1.00 0.00 C
437
+ ATOM 436 C THR A 57 29.514 15.323 17.922 1.00 0.00 C
438
+ ATOM 437 CB THR A 57 30.113 17.727 18.293 1.00 0.00 C
439
+ ATOM 438 O THR A 57 29.840 15.067 16.762 1.00 0.00 O
440
+ ATOM 439 CG2 THR A 57 28.642 18.114 18.418 1.00 0.00 C
441
+ ATOM 440 OG1 THR A 57 30.900 18.620 19.092 1.00 0.00 O
442
+ ATOM 441 N CYS A 58 28.483 14.774 18.545 1.00 0.00 N
443
+ ATOM 442 CA CYS A 58 27.592 13.865 17.832 1.00 0.00 C
444
+ ATOM 443 C CYS A 58 26.851 14.592 16.716 1.00 0.00 C
445
+ ATOM 444 CB CYS A 58 26.589 13.231 18.795 1.00 0.00 C
446
+ ATOM 445 O CYS A 58 26.750 15.820 16.729 1.00 0.00 O
447
+ ATOM 446 SG CYS A 58 27.348 12.505 20.264 1.00 0.00 S
448
+ ATOM 447 N LYS A 59 26.297 13.839 15.715 1.00 0.00 N
449
+ ATOM 448 CA LYS A 59 25.521 14.417 14.621 1.00 0.00 C
450
+ ATOM 449 C LYS A 59 24.336 15.219 15.153 1.00 0.00 C
451
+ ATOM 450 CB LYS A 59 25.029 13.322 13.674 1.00 0.00 C
452
+ ATOM 451 O LYS A 59 23.938 16.219 14.553 1.00 0.00 O
453
+ ATOM 452 CG LYS A 59 26.102 12.789 12.735 1.00 0.00 C
454
+ ATOM 453 CD LYS A 59 25.526 11.794 11.737 1.00 0.00 C
455
+ ATOM 454 CE LYS A 59 26.592 11.280 10.778 1.00 0.00 C
456
+ ATOM 455 NZ LYS A 59 26.061 10.210 9.881 1.00 0.00 N
457
+ ATOM 456 N ASN A 60 23.764 14.782 16.338 1.00 0.00 N
458
+ ATOM 457 CA ASN A 60 22.605 15.463 16.906 1.00 0.00 C
459
+ ATOM 458 C ASN A 60 23.021 16.608 17.826 1.00 0.00 C
460
+ ATOM 459 CB ASN A 60 21.717 14.471 17.661 1.00 0.00 C
461
+ ATOM 460 O ASN A 60 22.177 17.222 18.479 1.00 0.00 O
462
+ ATOM 461 CG ASN A 60 22.425 13.834 18.841 1.00 0.00 C
463
+ ATOM 462 ND2 ASN A 60 21.760 12.886 19.490 1.00 0.00 N
464
+ ATOM 463 OD1 ASN A 60 23.560 14.193 19.167 1.00 0.00 O
465
+ ATOM 464 N GLY A 61 24.348 16.823 17.967 1.00 0.00 N
466
+ ATOM 465 CA GLY A 61 24.838 17.951 18.743 1.00 0.00 C
467
+ ATOM 466 C GLY A 61 25.243 17.573 20.156 1.00 0.00 C
468
+ ATOM 467 O GLY A 61 25.811 18.390 20.884 1.00 0.00 O
469
+ ATOM 468 N GLN A 62 24.998 16.337 20.582 1.00 0.00 N
470
+ ATOM 469 CA GLN A 62 25.399 15.878 21.907 1.00 0.00 C
471
+ ATOM 470 C GLN A 62 26.918 15.797 22.024 1.00 0.00 C
472
+ ATOM 471 CB GLN A 62 24.774 14.517 22.216 1.00 0.00 C
473
+ ATOM 472 O GLN A 62 27.619 15.698 21.015 1.00 0.00 O
474
+ ATOM 473 CG GLN A 62 23.255 14.543 22.305 1.00 0.00 C
475
+ ATOM 474 CD GLN A 62 22.657 13.170 22.547 1.00 0.00 C
476
+ ATOM 475 NE2 GLN A 62 21.645 13.106 23.406 1.00 0.00 N
477
+ ATOM 476 OE1 GLN A 62 23.101 12.174 21.967 1.00 0.00 O
478
+ ATOM 477 N THR A 63 27.394 15.822 23.228 1.00 0.00 N
479
+ ATOM 478 CA THR A 63 28.833 15.925 23.444 1.00 0.00 C
480
+ ATOM 479 C THR A 63 29.388 14.623 24.015 1.00 0.00 C
481
+ ATOM 480 CB THR A 63 29.174 17.090 24.390 1.00 0.00 C
482
+ ATOM 481 O THR A 63 30.481 14.605 24.585 1.00 0.00 O
483
+ ATOM 482 CG2 THR A 63 28.743 18.426 23.795 1.00 0.00 C
484
+ ATOM 483 OG1 THR A 63 28.499 16.897 25.640 1.00 0.00 O
485
+ ATOM 484 N ASN A 64 28.667 13.525 23.943 1.00 0.00 N
486
+ ATOM 485 CA ASN A 64 29.141 12.264 24.505 1.00 0.00 C
487
+ ATOM 486 C ASN A 64 29.568 11.289 23.411 1.00 0.00 C
488
+ ATOM 487 CB ASN A 64 28.066 11.632 25.389 1.00 0.00 C
489
+ ATOM 488 O ASN A 64 29.449 10.074 23.576 1.00 0.00 O
490
+ ATOM 489 CG ASN A 64 26.817 11.259 24.615 1.00 0.00 C
491
+ ATOM 490 ND2 ASN A 64 26.140 10.204 25.052 1.00 0.00 N
492
+ ATOM 491 OD1 ASN A 64 26.463 11.914 23.631 1.00 0.00 O
493
+ ATOM 492 N CYS A 65 30.057 11.833 22.304 1.00 0.00 N
494
+ ATOM 493 CA CYS A 65 30.513 10.971 21.219 1.00 0.00 C
495
+ ATOM 494 C CYS A 65 32.034 10.895 21.185 1.00 0.00 C
496
+ ATOM 495 CB CYS A 65 29.988 11.478 19.876 1.00 0.00 C
497
+ ATOM 496 O CYS A 65 32.717 11.855 21.546 1.00 0.00 O
498
+ ATOM 497 SG CYS A 65 28.278 11.005 19.536 1.00 0.00 S
499
+ ATOM 498 N TYR A 66 32.503 9.754 20.804 1.00 0.00 N
500
+ ATOM 499 CA TYR A 66 33.934 9.482 20.726 1.00 0.00 C
501
+ ATOM 500 C TYR A 66 34.291 8.816 19.402 1.00 0.00 C
502
+ ATOM 501 CB TYR A 66 34.377 8.594 21.893 1.00 0.00 C
503
+ ATOM 502 O TYR A 66 33.524 8.003 18.883 1.00 0.00 O
504
+ ATOM 503 CG TYR A 66 34.103 9.195 23.250 1.00 0.00 C
505
+ ATOM 504 CD1 TYR A 66 35.112 9.830 23.970 1.00 0.00 C
506
+ ATOM 505 CD2 TYR A 66 32.834 9.127 23.816 1.00 0.00 C
507
+ ATOM 506 CE1 TYR A 66 34.864 10.383 25.222 1.00 0.00 C
508
+ ATOM 507 CE2 TYR A 66 32.574 9.677 25.067 1.00 0.00 C
509
+ ATOM 508 OH TYR A 66 33.341 10.848 27.000 1.00 0.00 O
510
+ ATOM 509 CZ TYR A 66 33.593 10.302 25.761 1.00 0.00 C
511
+ ATOM 510 N GLN A 67 35.416 9.182 18.872 1.00 0.00 N
512
+ ATOM 511 CA GLN A 67 35.925 8.645 17.615 1.00 0.00 C
513
+ ATOM 512 C GLN A 67 37.078 7.675 17.857 1.00 0.00 C
514
+ ATOM 513 CB GLN A 67 36.376 9.776 16.689 1.00 0.00 C
515
+ ATOM 514 O GLN A 67 37.986 7.966 18.638 1.00 0.00 O
516
+ ATOM 515 CG GLN A 67 36.960 9.295 15.368 1.00 0.00 C
517
+ ATOM 516 CD GLN A 67 37.401 10.436 14.471 1.00 0.00 C
518
+ ATOM 517 NE2 GLN A 67 38.167 10.113 13.434 1.00 0.00 N
519
+ ATOM 518 OE1 GLN A 67 37.055 11.598 14.707 1.00 0.00 O
520
+ ATOM 519 N SER A 68 37.059 6.571 17.160 1.00 0.00 N
521
+ ATOM 520 CA SER A 68 38.130 5.588 17.284 1.00 0.00 C
522
+ ATOM 521 C SER A 68 39.454 6.147 16.774 1.00 0.00 C
523
+ ATOM 522 CB SER A 68 37.777 4.312 16.519 1.00 0.00 C
524
+ ATOM 523 O SER A 68 39.481 6.912 15.808 1.00 0.00 O
525
+ ATOM 524 OG SER A 68 37.681 4.570 15.129 1.00 0.00 O
526
+ ATOM 525 N LYS A 69 40.526 5.767 17.419 1.00 0.00 N
527
+ ATOM 526 CA LYS A 69 41.863 6.224 17.052 1.00 0.00 C
528
+ ATOM 527 C LYS A 69 42.353 5.528 15.785 1.00 0.00 C
529
+ ATOM 528 CB LYS A 69 42.847 5.981 18.197 1.00 0.00 C
530
+ ATOM 529 O LYS A 69 43.099 6.114 14.998 1.00 0.00 O
531
+ ATOM 530 CG LYS A 69 42.704 6.958 19.354 1.00 0.00 C
532
+ ATOM 531 CD LYS A 69 43.724 6.681 20.450 1.00 0.00 C
533
+ ATOM 532 CE LYS A 69 43.560 7.638 21.623 1.00 0.00 C
534
+ ATOM 533 NZ LYS A 69 44.456 7.277 22.763 1.00 0.00 N
535
+ ATOM 534 N SER A 70 41.945 4.321 15.635 1.00 0.00 N
536
+ ATOM 535 CA SER A 70 42.303 3.541 14.455 1.00 0.00 C
537
+ ATOM 536 C SER A 70 41.066 3.157 13.648 1.00 0.00 C
538
+ ATOM 537 CB SER A 70 43.070 2.281 14.857 1.00 0.00 C
539
+ ATOM 538 O SER A 70 39.950 3.167 14.173 1.00 0.00 O
540
+ ATOM 539 OG SER A 70 42.280 1.460 15.701 1.00 0.00 O
541
+ ATOM 540 N THR A 71 41.299 2.888 12.396 1.00 0.00 N
542
+ ATOM 541 CA THR A 71 40.196 2.403 11.574 1.00 0.00 C
543
+ ATOM 542 C THR A 71 39.776 1.000 12.005 1.00 0.00 C
544
+ ATOM 543 CB THR A 71 40.576 2.391 10.081 1.00 0.00 C
545
+ ATOM 544 O THR A 71 40.581 0.249 12.561 1.00 0.00 O
546
+ ATOM 545 CG2 THR A 71 40.930 3.792 9.594 1.00 0.00 C
547
+ ATOM 546 OG1 THR A 71 41.704 1.529 9.888 1.00 0.00 O
548
+ ATOM 547 N MET A 72 38.566 0.805 11.847 1.00 0.00 N
549
+ ATOM 548 CA MET A 72 37.984 -0.498 12.158 1.00 0.00 C
550
+ ATOM 549 C MET A 72 37.283 -1.085 10.938 1.00 0.00 C
551
+ ATOM 550 CB MET A 72 37.000 -0.383 13.323 1.00 0.00 C
552
+ ATOM 551 O MET A 72 36.748 -0.348 10.108 1.00 0.00 O
553
+ ATOM 552 CG MET A 72 37.630 0.116 14.612 1.00 0.00 C
554
+ ATOM 553 SD MET A 72 36.447 0.131 16.014 1.00 0.00 S
555
+ ATOM 554 CE MET A 72 37.562 0.595 17.369 1.00 0.00 C
556
+ ATOM 555 N ARG A 73 37.366 -2.401 10.809 1.00 0.00 N
557
+ ATOM 556 CA ARG A 73 36.643 -3.069 9.730 1.00 0.00 C
558
+ ATOM 557 C ARG A 73 35.139 -3.035 9.976 1.00 0.00 C
559
+ ATOM 558 CB ARG A 73 37.118 -4.516 9.581 1.00 0.00 C
560
+ ATOM 559 O ARG A 73 34.664 -3.493 11.017 1.00 0.00 O
561
+ ATOM 560 CG ARG A 73 38.559 -4.648 9.115 1.00 0.00 C
562
+ ATOM 561 CD ARG A 73 38.989 -6.105 9.018 1.00 0.00 C
563
+ ATOM 562 NE ARG A 73 39.000 -6.752 10.325 1.00 0.00 N
564
+ ATOM 563 NH1 ARG A 73 39.208 -8.897 9.490 1.00 0.00 N
565
+ ATOM 564 NH2 ARG A 73 39.102 -8.548 11.754 1.00 0.00 N
566
+ ATOM 565 CZ ARG A 73 39.104 -8.065 10.521 1.00 0.00 C
567
+ ATOM 566 N ILE A 74 34.349 -2.464 9.031 1.00 0.00 N
568
+ ATOM 567 CA ILE A 74 32.903 -2.373 9.194 1.00 0.00 C
569
+ ATOM 568 C ILE A 74 32.209 -2.824 7.910 1.00 0.00 C
570
+ ATOM 569 CB ILE A 74 32.465 -0.938 9.565 1.00 0.00 C
571
+ ATOM 570 O ILE A 74 32.817 -2.823 6.837 1.00 0.00 O
572
+ ATOM 571 CG1 ILE A 74 32.795 0.031 8.425 1.00 0.00 C
573
+ ATOM 572 CG2 ILE A 74 33.127 -0.492 10.872 1.00 0.00 C
574
+ ATOM 573 CD1 ILE A 74 32.190 1.419 8.598 1.00 0.00 C
575
+ ATOM 574 N THR A 75 31.021 -3.264 8.034 1.00 0.00 N
576
+ ATOM 575 CA THR A 75 30.115 -3.546 6.926 1.00 0.00 C
577
+ ATOM 576 C THR A 75 28.885 -2.645 6.992 1.00 0.00 C
578
+ ATOM 577 CB THR A 75 29.673 -5.021 6.926 1.00 0.00 C
579
+ ATOM 578 O THR A 75 28.158 -2.648 7.987 1.00 0.00 O
580
+ ATOM 579 CG2 THR A 75 28.659 -5.292 5.819 1.00 0.00 C
581
+ ATOM 580 OG1 THR A 75 30.820 -5.857 6.723 1.00 0.00 O
582
+ ATOM 581 N ASP A 76 28.700 -1.843 5.980 1.00 0.00 N
583
+ ATOM 582 CA ASP A 76 27.512 -1.005 5.838 1.00 0.00 C
584
+ ATOM 583 C ASP A 76 26.436 -1.713 5.018 1.00 0.00 C
585
+ ATOM 584 CB ASP A 76 27.874 0.332 5.189 1.00 0.00 C
586
+ ATOM 585 O ASP A 76 26.698 -2.171 3.904 1.00 0.00 O
587
+ ATOM 586 CG ASP A 76 28.626 1.261 6.125 1.00 0.00 C
588
+ ATOM 587 OD1 ASP A 76 28.319 1.287 7.336 1.00 0.00 O
589
+ ATOM 588 OD2 ASP A 76 29.532 1.978 5.646 1.00 0.00 O
590
+ ATOM 589 N CYS A 77 25.378 -1.838 5.612 1.00 0.00 N
591
+ ATOM 590 CA CYS A 77 24.221 -2.453 4.972 1.00 0.00 C
592
+ ATOM 591 C CYS A 77 23.168 -1.406 4.627 1.00 0.00 C
593
+ ATOM 592 CB CYS A 77 23.612 -3.523 5.878 1.00 0.00 C
594
+ ATOM 593 O CYS A 77 22.694 -0.684 5.506 1.00 0.00 O
595
+ ATOM 594 SG CYS A 77 24.750 -4.865 6.283 1.00 0.00 S
596
+ ATOM 595 N ARG A 78 22.775 -1.338 3.411 1.00 0.00 N
597
+ ATOM 596 CA ARG A 78 21.742 -0.416 2.953 1.00 0.00 C
598
+ ATOM 597 C ARG A 78 20.656 -1.154 2.177 1.00 0.00 C
599
+ ATOM 598 CB ARG A 78 22.352 0.684 2.081 1.00 0.00 C
600
+ ATOM 599 O ARG A 78 20.950 -1.893 1.235 1.00 0.00 O
601
+ ATOM 600 CG ARG A 78 21.364 1.769 1.678 1.00 0.00 C
602
+ ATOM 601 CD ARG A 78 22.063 2.952 1.021 1.00 0.00 C
603
+ ATOM 602 NE ARG A 78 21.117 4.006 0.665 1.00 0.00 N
604
+ ATOM 603 NH1 ARG A 78 22.714 5.427 -0.209 1.00 0.00 N
605
+ ATOM 604 NH2 ARG A 78 20.507 6.047 -0.191 1.00 0.00 N
606
+ ATOM 605 CZ ARG A 78 21.448 5.158 0.089 1.00 0.00 C
607
+ ATOM 606 N GLU A 79 19.470 -0.905 2.621 1.00 0.00 N
608
+ ATOM 607 CA GLU A 79 18.327 -1.537 1.968 1.00 0.00 C
609
+ ATOM 608 C GLU A 79 18.247 -1.146 0.495 1.00 0.00 C
610
+ ATOM 609 CB GLU A 79 17.026 -1.164 2.682 1.00 0.00 C
611
+ ATOM 610 O GLU A 79 18.449 0.020 0.144 1.00 0.00 O
612
+ ATOM 611 CG GLU A 79 15.811 -1.937 2.189 1.00 0.00 C
613
+ ATOM 612 CD GLU A 79 14.513 -1.502 2.852 1.00 0.00 C
614
+ ATOM 613 OE1 GLU A 79 14.485 -0.419 3.478 1.00 0.00 O
615
+ ATOM 614 OE2 GLU A 79 13.516 -2.251 2.744 1.00 0.00 O
616
+ ATOM 615 N THR A 80 18.007 -2.121 -0.363 1.00 0.00 N
617
+ ATOM 616 CA THR A 80 17.887 -1.881 -1.797 1.00 0.00 C
618
+ ATOM 617 C THR A 80 16.429 -1.646 -2.186 1.00 0.00 C
619
+ ATOM 618 CB THR A 80 18.453 -3.060 -2.611 1.00 0.00 C
620
+ ATOM 619 O THR A 80 15.521 -1.905 -1.394 1.00 0.00 O
621
+ ATOM 620 CG2 THR A 80 19.867 -3.410 -2.159 1.00 0.00 C
622
+ ATOM 621 OG1 THR A 80 17.609 -4.205 -2.433 1.00 0.00 O
623
+ ATOM 622 N GLY A 81 16.193 -1.049 -3.435 1.00 0.00 N
624
+ ATOM 623 CA GLY A 81 14.860 -0.780 -3.953 1.00 0.00 C
625
+ ATOM 624 C GLY A 81 14.001 -2.025 -4.061 1.00 0.00 C
626
+ ATOM 625 O GLY A 81 12.773 -1.933 -4.131 1.00 0.00 O
627
+ ATOM 626 N SER A 82 14.534 -3.183 -4.032 1.00 0.00 N
628
+ ATOM 627 CA SER A 82 13.811 -4.438 -4.209 1.00 0.00 C
629
+ ATOM 628 C SER A 82 13.456 -5.066 -2.864 1.00 0.00 C
630
+ ATOM 629 CB SER A 82 14.638 -5.422 -5.037 1.00 0.00 C
631
+ ATOM 630 O SER A 82 12.935 -6.181 -2.812 1.00 0.00 O
632
+ ATOM 631 OG SER A 82 15.875 -5.700 -4.402 1.00 0.00 O
633
+ ATOM 632 N SER A 83 13.617 -4.385 -1.829 1.00 0.00 N
634
+ ATOM 633 CA SER A 83 13.412 -4.936 -0.494 1.00 0.00 C
635
+ ATOM 634 C SER A 83 11.931 -4.954 -0.125 1.00 0.00 C
636
+ ATOM 635 CB SER A 83 14.195 -4.134 0.544 1.00 0.00 C
637
+ ATOM 636 O SER A 83 11.231 -3.955 -0.300 1.00 0.00 O
638
+ ATOM 637 OG SER A 83 14.167 -4.778 1.806 1.00 0.00 O
639
+ ATOM 638 N LYS A 84 11.443 -6.071 0.376 1.00 0.00 N
640
+ ATOM 639 CA LYS A 84 10.103 -6.267 0.924 1.00 0.00 C
641
+ ATOM 640 C LYS A 84 10.131 -7.219 2.116 1.00 0.00 C
642
+ ATOM 641 CB LYS A 84 9.156 -6.802 -0.152 1.00 0.00 C
643
+ ATOM 642 O LYS A 84 10.611 -8.349 2.004 1.00 0.00 O
644
+ ATOM 643 CG LYS A 84 7.691 -6.799 0.258 1.00 0.00 C
645
+ ATOM 644 CD LYS A 84 6.788 -7.220 -0.896 1.00 0.00 C
646
+ ATOM 645 CE LYS A 84 5.324 -7.250 -0.479 1.00 0.00 C
647
+ ATOM 646 NZ LYS A 84 4.430 -7.609 -1.620 1.00 0.00 N
648
+ ATOM 647 N TYR A 85 9.530 -6.801 3.199 1.00 0.00 N
649
+ ATOM 648 CA TYR A 85 9.459 -7.718 4.331 1.00 0.00 C
650
+ ATOM 649 C TYR A 85 8.613 -8.939 3.992 1.00 0.00 C
651
+ ATOM 650 CB TYR A 85 8.884 -7.009 5.562 1.00 0.00 C
652
+ ATOM 651 O TYR A 85 7.533 -8.812 3.411 1.00 0.00 O
653
+ ATOM 652 CG TYR A 85 8.801 -7.888 6.785 1.00 0.00 C
654
+ ATOM 653 CD1 TYR A 85 9.897 -8.041 7.632 1.00 0.00 C
655
+ ATOM 654 CD2 TYR A 85 7.628 -8.568 7.097 1.00 0.00 C
656
+ ATOM 655 CE1 TYR A 85 9.826 -8.851 8.760 1.00 0.00 C
657
+ ATOM 656 CE2 TYR A 85 7.547 -9.382 8.223 1.00 0.00 C
658
+ ATOM 657 OH TYR A 85 8.573 -10.321 10.162 1.00 0.00 O
659
+ ATOM 658 CZ TYR A 85 8.648 -9.517 9.047 1.00 0.00 C
660
+ ATOM 659 N PRO A 86 9.127 -10.053 4.435 1.00 0.00 N
661
+ ATOM 660 CA PRO A 86 10.272 -10.416 5.273 1.00 0.00 C
662
+ ATOM 661 C PRO A 86 11.531 -10.706 4.457 1.00 0.00 C
663
+ ATOM 662 CB PRO A 86 9.792 -11.673 6.002 1.00 0.00 C
664
+ ATOM 663 O PRO A 86 12.544 -11.139 5.012 1.00 0.00 O
665
+ ATOM 664 CG PRO A 86 8.873 -12.347 5.035 1.00 0.00 C
666
+ ATOM 665 CD PRO A 86 8.139 -11.291 4.259 1.00 0.00 C
667
+ ATOM 666 N ASN A 87 11.415 -10.531 3.071 1.00 0.00 N
668
+ ATOM 667 CA ASN A 87 12.565 -10.766 2.204 1.00 0.00 C
669
+ ATOM 668 C ASN A 87 13.355 -9.484 1.959 1.00 0.00 C
670
+ ATOM 669 CB ASN A 87 12.119 -11.377 0.873 1.00 0.00 C
671
+ ATOM 670 O ASN A 87 13.348 -8.948 0.849 1.00 0.00 O
672
+ ATOM 671 CG ASN A 87 11.401 -12.700 1.051 1.00 0.00 C
673
+ ATOM 672 ND2 ASN A 87 10.325 -12.897 0.297 1.00 0.00 N
674
+ ATOM 673 OD1 ASN A 87 11.808 -13.539 1.859 1.00 0.00 O
675
+ ATOM 674 N CYS A 88 14.014 -9.037 2.962 1.00 0.00 N
676
+ ATOM 675 CA CYS A 88 14.771 -7.791 2.898 1.00 0.00 C
677
+ ATOM 676 C CYS A 88 16.062 -7.977 2.109 1.00 0.00 C
678
+ ATOM 677 CB CYS A 88 15.092 -7.287 4.305 1.00 0.00 C
679
+ ATOM 678 O CYS A 88 16.740 -8.996 2.250 1.00 0.00 O
680
+ ATOM 679 SG CYS A 88 13.634 -7.051 5.344 1.00 0.00 S
681
+ ATOM 680 N ALA A 89 16.343 -7.088 1.166 1.00 0.00 N
682
+ ATOM 681 CA ALA A 89 17.544 -7.114 0.337 1.00 0.00 C
683
+ ATOM 682 C ALA A 89 18.437 -5.910 0.625 1.00 0.00 C
684
+ ATOM 683 CB ALA A 89 17.168 -7.150 -1.143 1.00 0.00 C
685
+ ATOM 684 O ALA A 89 17.953 -4.779 0.718 1.00 0.00 O
686
+ ATOM 685 N TYR A 90 19.748 -6.214 0.751 1.00 0.00 N
687
+ ATOM 686 CA TYR A 90 20.656 -5.148 1.161 1.00 0.00 C
688
+ ATOM 687 C TYR A 90 21.899 -5.121 0.280 1.00 0.00 C
689
+ ATOM 688 CB TYR A 90 21.061 -5.321 2.628 1.00 0.00 C
690
+ ATOM 689 O TYR A 90 22.394 -6.170 -0.137 1.00 0.00 O
691
+ ATOM 690 CG TYR A 90 19.917 -5.146 3.598 1.00 0.00 C
692
+ ATOM 691 CD1 TYR A 90 19.621 -3.896 4.137 1.00 0.00 C
693
+ ATOM 692 CD2 TYR A 90 19.131 -6.229 3.978 1.00 0.00 C
694
+ ATOM 693 CE1 TYR A 90 18.569 -3.730 5.033 1.00 0.00 C
695
+ ATOM 694 CE2 TYR A 90 18.078 -6.075 4.873 1.00 0.00 C
696
+ ATOM 695 OH TYR A 90 16.762 -4.665 6.280 1.00 0.00 O
697
+ ATOM 696 CZ TYR A 90 17.804 -4.823 5.394 1.00 0.00 C
698
+ ATOM 697 N LYS A 91 22.329 -3.930 -0.000 1.00 0.00 N
699
+ ATOM 698 CA LYS A 91 23.673 -3.721 -0.529 1.00 0.00 C
700
+ ATOM 699 C LYS A 91 24.720 -3.820 0.578 1.00 0.00 C
701
+ ATOM 700 CB LYS A 91 23.772 -2.362 -1.224 1.00 0.00 C
702
+ ATOM 701 O LYS A 91 24.562 -3.221 1.644 1.00 0.00 O
703
+ ATOM 702 CG LYS A 91 25.113 -2.107 -1.895 1.00 0.00 C
704
+ ATOM 703 CD LYS A 91 25.152 -0.737 -2.563 1.00 0.00 C
705
+ ATOM 704 CE LYS A 91 26.513 -0.456 -3.184 1.00 0.00 C
706
+ ATOM 705 NZ LYS A 91 26.566 0.898 -3.811 1.00 0.00 N
707
+ ATOM 706 N THR A 92 25.745 -4.524 0.277 1.00 0.00 N
708
+ ATOM 707 CA THR A 92 26.834 -4.756 1.220 1.00 0.00 C
709
+ ATOM 708 C THR A 92 28.064 -3.937 0.838 1.00 0.00 C
710
+ ATOM 709 CB THR A 92 27.208 -6.248 1.285 1.00 0.00 C
711
+ ATOM 710 O THR A 92 28.554 -4.031 -0.289 1.00 0.00 O
712
+ ATOM 711 CG2 THR A 92 28.328 -6.491 2.290 1.00 0.00 C
713
+ ATOM 712 OG1 THR A 92 26.058 -7.006 1.676 1.00 0.00 O
714
+ ATOM 713 N THR A 93 28.500 -3.131 1.709 1.00 0.00 N
715
+ ATOM 714 CA THR A 93 29.736 -2.378 1.532 1.00 0.00 C
716
+ ATOM 715 C THR A 93 30.695 -2.632 2.692 1.00 0.00 C
717
+ ATOM 716 CB THR A 93 29.458 -0.868 1.413 1.00 0.00 C
718
+ ATOM 717 O THR A 93 30.399 -2.282 3.837 1.00 0.00 O
719
+ ATOM 718 CG2 THR A 93 30.743 -0.091 1.147 1.00 0.00 C
720
+ ATOM 719 OG1 THR A 93 28.542 -0.640 0.335 1.00 0.00 O
721
+ ATOM 720 N GLN A 94 31.819 -3.150 2.384 1.00 0.00 N
722
+ ATOM 721 CA GLN A 94 32.858 -3.411 3.375 1.00 0.00 C
723
+ ATOM 722 C GLN A 94 33.985 -2.387 3.272 1.00 0.00 C
724
+ ATOM 723 CB GLN A 94 33.417 -4.824 3.209 1.00 0.00 C
725
+ ATOM 724 O GLN A 94 34.532 -2.164 2.190 1.00 0.00 O
726
+ ATOM 725 CG GLN A 94 32.385 -5.922 3.431 1.00 0.00 C
727
+ ATOM 726 CD GLN A 94 32.941 -7.310 3.171 1.00 0.00 C
728
+ ATOM 727 NE2 GLN A 94 32.111 -8.328 3.371 1.00 0.00 N
729
+ ATOM 728 OE1 GLN A 94 34.106 -7.466 2.793 1.00 0.00 O
730
+ ATOM 729 N VAL A 95 34.294 -1.865 4.412 1.00 0.00 N
731
+ ATOM 730 CA VAL A 95 35.325 -0.831 4.394 1.00 0.00 C
732
+ ATOM 731 C VAL A 95 36.003 -0.753 5.760 1.00 0.00 C
733
+ ATOM 732 CB VAL A 95 34.741 0.546 4.009 1.00 0.00 C
734
+ ATOM 733 O VAL A 95 35.528 -1.348 6.730 1.00 0.00 O
735
+ ATOM 734 CG1 VAL A 95 34.241 0.536 2.566 1.00 0.00 C
736
+ ATOM 735 CG2 VAL A 95 33.614 0.933 4.965 1.00 0.00 C
737
+ ATOM 736 N GLU A 96 37.120 -0.063 5.797 1.00 0.00 N
738
+ ATOM 737 CA GLU A 96 37.805 0.312 7.030 1.00 0.00 C
739
+ ATOM 738 C GLU A 96 37.714 1.814 7.277 1.00 0.00 C
740
+ ATOM 739 CB GLU A 96 39.271 -0.127 6.986 1.00 0.00 C
741
+ ATOM 740 O GLU A 96 38.161 2.613 6.451 1.00 0.00 O
742
+ ATOM 741 CG GLU A 96 39.461 -1.637 6.993 1.00 0.00 C
743
+ ATOM 742 CD GLU A 96 40.918 -2.057 7.116 1.00 0.00 C
744
+ ATOM 743 OE1 GLU A 96 41.786 -1.181 7.329 1.00 0.00 O
745
+ ATOM 744 OE2 GLU A 96 41.192 -3.272 6.997 1.00 0.00 O
746
+ ATOM 745 N LYS A 97 37.113 2.158 8.270 1.00 0.00 N
747
+ ATOM 746 CA LYS A 97 36.906 3.560 8.622 1.00 0.00 C
748
+ ATOM 747 C LYS A 97 36.994 3.768 10.131 1.00 0.00 C
749
+ ATOM 748 CB LYS A 97 35.551 4.047 8.104 1.00 0.00 C
750
+ ATOM 749 O LYS A 97 36.844 2.819 10.904 1.00 0.00 O
751
+ ATOM 750 CG LYS A 97 35.482 4.190 6.591 1.00 0.00 C
752
+ ATOM 751 CD LYS A 97 34.188 4.863 6.151 1.00 0.00 C
753
+ ATOM 752 CE LYS A 97 34.167 5.110 4.649 1.00 0.00 C
754
+ ATOM 753 NZ LYS A 97 32.919 5.807 4.219 1.00 0.00 N
755
+ ATOM 754 N HIS A 98 37.192 4.971 10.534 1.00 0.00 N
756
+ ATOM 755 CA HIS A 98 36.976 5.334 11.929 1.00 0.00 C
757
+ ATOM 756 C HIS A 98 35.489 5.381 12.263 1.00 0.00 C
758
+ ATOM 757 CB HIS A 98 37.627 6.684 12.240 1.00 0.00 C
759
+ ATOM 758 O HIS A 98 34.669 5.748 11.418 1.00 0.00 O
760
+ ATOM 759 CG HIS A 98 39.111 6.690 12.059 1.00 0.00 C
761
+ ATOM 760 CD2 HIS A 98 39.880 7.124 11.032 1.00 0.00 C
762
+ ATOM 761 ND1 HIS A 98 39.978 6.200 13.011 1.00 0.00 N
763
+ ATOM 762 CE1 HIS A 98 41.221 6.335 12.577 1.00 0.00 C
764
+ ATOM 763 NE2 HIS A 98 41.189 6.892 11.379 1.00 0.00 N
765
+ ATOM 764 N ILE A 99 35.186 5.013 13.428 1.00 0.00 N
766
+ ATOM 765 CA ILE A 99 33.785 5.055 13.830 1.00 0.00 C
767
+ ATOM 766 C ILE A 99 33.598 6.086 14.941 1.00 0.00 C
768
+ ATOM 767 CB ILE A 99 33.288 3.668 14.297 1.00 0.00 C
769
+ ATOM 768 O ILE A 99 34.538 6.390 15.679 1.00 0.00 O
770
+ ATOM 769 CG1 ILE A 99 34.059 3.217 15.544 1.00 0.00 C
771
+ ATOM 770 CG2 ILE A 99 33.421 2.640 13.170 1.00 0.00 C
772
+ ATOM 771 CD1 ILE A 99 33.441 2.020 16.253 1.00 0.00 C
773
+ ATOM 772 N ILE A 100 32.465 6.630 14.960 1.00 0.00 N
774
+ ATOM 773 CA ILE A 100 32.013 7.508 16.033 1.00 0.00 C
775
+ ATOM 774 C ILE A 100 30.840 6.864 16.767 1.00 0.00 C
776
+ ATOM 775 CB ILE A 100 31.611 8.898 15.493 1.00 0.00 C
777
+ ATOM 776 O ILE A 100 29.838 6.497 16.149 1.00 0.00 O
778
+ ATOM 777 CG1 ILE A 100 32.819 9.597 14.860 1.00 0.00 C
779
+ ATOM 778 CG2 ILE A 100 31.006 9.756 16.609 1.00 0.00 C
780
+ ATOM 779 CD1 ILE A 100 32.488 10.925 14.194 1.00 0.00 C
781
+ ATOM 780 N VAL A 101 30.947 6.727 18.075 1.00 0.00 N
782
+ ATOM 781 CA VAL A 101 29.884 6.148 18.890 1.00 0.00 C
783
+ ATOM 782 C VAL A 101 29.534 7.098 20.034 1.00 0.00 C
784
+ ATOM 783 CB VAL A 101 30.287 4.767 19.451 1.00 0.00 C
785
+ ATOM 784 O VAL A 101 30.390 7.846 20.512 1.00 0.00 O
786
+ ATOM 785 CG1 VAL A 101 30.536 3.775 18.315 1.00 0.00 C
787
+ ATOM 786 CG2 VAL A 101 31.524 4.891 20.338 1.00 0.00 C
788
+ ATOM 787 N ALA A 102 28.291 7.077 20.422 1.00 0.00 N
789
+ ATOM 788 CA ALA A 102 27.864 7.733 21.655 1.00 0.00 C
790
+ ATOM 789 C ALA A 102 28.056 6.814 22.860 1.00 0.00 C
791
+ ATOM 790 CB ALA A 102 26.404 8.167 21.549 1.00 0.00 C
792
+ ATOM 791 O ALA A 102 27.736 5.625 22.799 1.00 0.00 O
793
+ ATOM 792 N CYS A 103 28.629 7.318 23.868 1.00 0.00 N
794
+ ATOM 793 CA CYS A 103 28.943 6.507 25.039 1.00 0.00 C
795
+ ATOM 794 C CYS A 103 28.144 6.968 26.253 1.00 0.00 C
796
+ ATOM 795 CB CYS A 103 30.439 6.568 25.349 1.00 0.00 C
797
+ ATOM 796 O CYS A 103 27.837 8.154 26.384 1.00 0.00 O
798
+ ATOM 797 SG CYS A 103 31.485 5.968 24.004 1.00 0.00 S
799
+ ATOM 798 N GLY A 104 27.733 6.004 27.021 1.00 0.00 N
800
+ ATOM 799 CA GLY A 104 26.986 6.299 28.234 1.00 0.00 C
801
+ ATOM 800 C GLY A 104 27.047 5.182 29.259 1.00 0.00 C
802
+ ATOM 801 O GLY A 104 27.622 4.124 28.999 1.00 0.00 O
803
+ ATOM 802 N GLY A 105 26.567 5.540 30.465 1.00 0.00 N
804
+ ATOM 803 CA GLY A 105 26.570 4.552 31.531 1.00 0.00 C
805
+ ATOM 804 C GLY A 105 27.824 4.597 32.384 1.00 0.00 C
806
+ ATOM 805 O GLY A 105 28.724 5.401 32.132 1.00 0.00 O
807
+ ATOM 806 N LYS A 106 27.881 3.767 33.386 1.00 0.00 N
808
+ ATOM 807 CA LYS A 106 29.016 3.599 34.288 1.00 0.00 C
809
+ ATOM 808 C LYS A 106 29.381 2.125 34.444 1.00 0.00 C
810
+ ATOM 809 CB LYS A 106 28.712 4.211 35.656 1.00 0.00 C
811
+ ATOM 810 O LYS A 106 28.698 1.383 35.154 1.00 0.00 O
812
+ ATOM 811 CG LYS A 106 28.655 5.731 35.655 1.00 0.00 C
813
+ ATOM 812 CD LYS A 106 28.355 6.280 37.044 1.00 0.00 C
814
+ ATOM 813 CE LYS A 106 28.174 7.792 37.021 1.00 0.00 C
815
+ ATOM 814 NZ LYS A 106 27.818 8.328 38.369 1.00 0.00 N
816
+ ATOM 815 N PRO A 107 30.389 1.684 33.840 1.00 0.00 N
817
+ ATOM 816 CA PRO A 107 31.389 2.362 33.013 1.00 0.00 C
818
+ ATOM 817 C PRO A 107 30.819 2.856 31.685 1.00 0.00 C
819
+ ATOM 818 CB PRO A 107 32.448 1.281 32.783 1.00 0.00 C
820
+ ATOM 819 O PRO A 107 29.719 2.456 31.294 1.00 0.00 O
821
+ ATOM 820 CG PRO A 107 31.688 -0.006 32.793 1.00 0.00 C
822
+ ATOM 821 CD PRO A 107 30.564 0.111 33.780 1.00 0.00 C
823
+ ATOM 822 N SER A 108 31.544 3.821 31.123 1.00 0.00 N
824
+ ATOM 823 CA SER A 108 31.128 4.367 29.835 1.00 0.00 C
825
+ ATOM 824 C SER A 108 31.308 3.344 28.718 1.00 0.00 C
826
+ ATOM 825 CB SER A 108 31.918 5.635 29.509 1.00 0.00 C
827
+ ATOM 826 O SER A 108 32.402 2.807 28.531 1.00 0.00 O
828
+ ATOM 827 OG SER A 108 31.395 6.271 28.355 1.00 0.00 O
829
+ ATOM 828 N VAL A 109 30.221 2.939 28.065 1.00 0.00 N
830
+ ATOM 829 CA VAL A 109 30.223 1.977 26.968 1.00 0.00 C
831
+ ATOM 830 C VAL A 109 29.404 2.521 25.800 1.00 0.00 C
832
+ ATOM 831 CB VAL A 109 29.670 0.604 27.415 1.00 0.00 C
833
+ ATOM 832 O VAL A 109 28.578 3.419 25.978 1.00 0.00 O
834
+ ATOM 833 CG1 VAL A 109 30.610 -0.054 28.422 1.00 0.00 C
835
+ ATOM 834 CG2 VAL A 109 28.271 0.762 28.007 1.00 0.00 C
836
+ ATOM 835 N PRO A 110 29.692 1.992 24.584 1.00 0.00 N
837
+ ATOM 836 CA PRO A 110 28.916 2.430 23.423 1.00 0.00 C
838
+ ATOM 837 C PRO A 110 27.426 2.123 23.558 1.00 0.00 C
839
+ ATOM 838 CB PRO A 110 29.533 1.638 22.267 1.00 0.00 C
840
+ ATOM 839 O PRO A 110 27.054 1.007 23.932 1.00 0.00 O
841
+ ATOM 840 CG PRO A 110 30.900 1.269 22.745 1.00 0.00 C
842
+ ATOM 841 CD PRO A 110 30.835 1.008 24.223 1.00 0.00 C
843
+ ATOM 842 N VAL A 111 26.542 3.146 23.254 1.00 0.00 N
844
+ ATOM 843 CA VAL A 111 25.098 2.975 23.382 1.00 0.00 C
845
+ ATOM 844 C VAL A 111 24.415 3.361 22.072 1.00 0.00 C
846
+ ATOM 845 CB VAL A 111 24.529 3.816 24.547 1.00 0.00 C
847
+ ATOM 846 O VAL A 111 23.226 3.093 21.883 1.00 0.00 O
848
+ ATOM 847 CG1 VAL A 111 25.067 3.316 25.887 1.00 0.00 C
849
+ ATOM 848 CG2 VAL A 111 24.863 5.294 24.352 1.00 0.00 C
850
+ ATOM 849 N HIS A 112 25.175 3.962 21.162 1.00 0.00 N
851
+ ATOM 850 CA HIS A 112 24.641 4.347 19.859 1.00 0.00 C
852
+ ATOM 851 C HIS A 112 25.756 4.491 18.829 1.00 0.00 C
853
+ ATOM 852 CB HIS A 112 23.854 5.654 19.967 1.00 0.00 C
854
+ ATOM 853 O HIS A 112 26.820 5.039 19.130 1.00 0.00 O
855
+ ATOM 854 CG HIS A 112 23.330 6.149 18.657 1.00 0.00 C
856
+ ATOM 855 CD2 HIS A 112 22.167 5.897 18.012 1.00 0.00 C
857
+ ATOM 856 ND1 HIS A 112 24.039 7.015 17.851 1.00 0.00 N
858
+ ATOM 857 CE1 HIS A 112 23.331 7.274 16.765 1.00 0.00 C
859
+ ATOM 858 NE2 HIS A 112 22.192 6.608 16.837 1.00 0.00 N
860
+ ATOM 859 N PHE A 113 25.500 3.977 17.686 1.00 0.00 N
861
+ ATOM 860 CA PHE A 113 26.394 4.191 16.555 1.00 0.00 C
862
+ ATOM 861 C PHE A 113 26.079 5.508 15.857 1.00 0.00 C
863
+ ATOM 862 CB PHE A 113 26.290 3.031 15.558 1.00 0.00 C
864
+ ATOM 863 O PHE A 113 25.020 5.656 15.243 1.00 0.00 O
865
+ ATOM 864 CG PHE A 113 27.391 3.011 14.532 1.00 0.00 C
866
+ ATOM 865 CD1 PHE A 113 27.252 3.694 13.331 1.00 0.00 C
867
+ ATOM 866 CD2 PHE A 113 28.564 2.308 14.770 1.00 0.00 C
868
+ ATOM 867 CE1 PHE A 113 28.269 3.677 12.379 1.00 0.00 C
869
+ ATOM 868 CE2 PHE A 113 29.585 2.287 13.824 1.00 0.00 C
870
+ ATOM 869 CZ PHE A 113 29.436 2.971 12.630 1.00 0.00 C
871
+ ATOM 870 N ASP A 114 27.026 6.421 15.824 1.00 0.00 N
872
+ ATOM 871 CA ASP A 114 26.720 7.762 15.334 1.00 0.00 C
873
+ ATOM 872 C ASP A 114 27.103 7.909 13.863 1.00 0.00 C
874
+ ATOM 873 CB ASP A 114 27.443 8.817 16.174 1.00 0.00 C
875
+ ATOM 874 O ASP A 114 26.322 8.428 13.063 1.00 0.00 O
876
+ ATOM 875 CG ASP A 114 26.961 10.230 15.893 1.00 0.00 C
877
+ ATOM 876 OD1 ASP A 114 25.768 10.524 16.124 1.00 0.00 O
878
+ ATOM 877 OD2 ASP A 114 27.781 11.054 15.433 1.00 0.00 O
879
+ ATOM 878 N ALA A 115 28.325 7.428 13.565 1.00 0.00 N
880
+ ATOM 879 CA ALA A 115 28.765 7.565 12.180 1.00 0.00 C
881
+ ATOM 880 C ALA A 115 30.041 6.765 11.928 1.00 0.00 C
882
+ ATOM 881 CB ALA A 115 28.986 9.035 11.833 1.00 0.00 C
883
+ ATOM 882 O ALA A 115 30.667 6.271 12.869 1.00 0.00 O
884
+ ATOM 883 N SER A 116 30.327 6.561 10.691 1.00 0.00 N
885
+ ATOM 884 CA SER A 116 31.645 6.132 10.234 1.00 0.00 C
886
+ ATOM 885 C SER A 116 32.312 7.207 9.383 1.00 0.00 C
887
+ ATOM 886 CB SER A 116 31.539 4.832 9.436 1.00 0.00 C
888
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889
+ ATOM 888 OG SER A 116 30.826 5.039 8.229 1.00 0.00 O
890
+ ATOM 889 N VAL A 117 33.642 7.417 9.679 1.00 0.00 N
891
+ ATOM 890 CA VAL A 117 34.337 8.495 8.983 1.00 0.00 C
892
+ ATOM 891 C VAL A 117 35.687 7.995 8.474 1.00 0.00 C
893
+ ATOM 892 CB VAL A 117 34.533 9.727 9.894 1.00 0.00 C
894
+ ATOM 893 O VAL A 117 36.270 7.070 9.047 1.00 0.00 O
895
+ ATOM 894 CG1 VAL A 117 33.185 10.342 10.267 1.00 0.00 C
896
+ ATOM 895 CG2 VAL A 117 35.314 9.342 11.149 1.00 0.00 C
897
+ ATOM 896 OXT VAL A 117 35.591 8.833 7.603 1.00 0.00 O
898
+ TER 897 VAL A 117
899
+ CONECT 162 594
900
+ CONECT 257 679
901
+ CONECT 393 797
902
+ CONECT 446 497
903
+ CONECT 497 446
904
+ CONECT 594 162
905
+ CONECT 679 257
906
+ CONECT 797 393
907
+ END
1n3z/1n3z_protein_processed_fix.pdb ADDED
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+ ###
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+ $$$$
1ny2/1ny2_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ny2/1ny2_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ###
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+ M END
407
+ $$$$
1shc/1shc_protein_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xug/1xug_ligand.mol2 ADDED
@@ -0,0 +1,105 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1xug_ligand
7
+ 43 46 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 43.7570 -2.8580 26.3910 C.ar 1 BAB 0.0111
14
+ 2 C2 44.3310 -1.5610 26.6120 C.ar 1 BAB -0.0732
15
+ 3 C3 44.1330 -0.8570 27.8130 C.ar 1 BAB -0.0653
16
+ 4 C4 43.3590 -1.4860 28.7510 C.ar 1 BAB 0.0217
17
+ 5 C5 42.8040 -2.6870 28.5920 C.ar 1 BAB 0.0787
18
+ 6 C6 42.9680 -3.4190 27.4350 C.ar 1 BAB -0.0368
19
+ 7 C7 43.9630 -3.5390 25.1890 C.cat 1 BAB 0.2293
20
+ 8 N1 43.7140 -4.8230 25.1280 N.pl3 1 BAB -0.2731
21
+ 9 N2 44.3900 -2.8790 24.1360 N.pl3 1 BAB -0.2731
22
+ 10 N3 43.0250 -1.0630 29.9250 N.2 1 BAB -0.3147
23
+ 11 N4 42.1410 -2.9560 29.6960 N.pl3 1 BAB -0.2443
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+ 12 C8 42.2820 -1.9390 30.5240 C.2 1 BAB 0.1412
25
+ 13 C1' 45.1710 0.3350 36.5420 C.ar 1 BAB 0.0111
26
+ 14 C2' 45.5520 1.2280 35.4880 C.ar 1 BAB -0.0732
27
+ 15 C3' 44.9990 1.1550 34.2020 C.ar 1 BAB -0.0653
28
+ 16 C4' 44.0590 0.1710 33.9990 C.ar 1 BAB 0.0217
29
+ 17 C5' 43.6580 -0.6980 34.9500 C.ar 1 BAB 0.0787
30
+ 18 C6' 44.1830 -0.6590 36.2420 C.ar 1 BAB -0.0368
31
+ 19 C7' 45.7780 0.4500 37.8100 C.cat 1 BAB 0.2293
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+ 20 N1' 45.1760 0.0310 38.9020 N.pl3 1 BAB -0.2731
33
+ 21 N3' 43.4170 -0.1020 32.9100 N.2 1 BAB -0.3147
34
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35
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+ 32 H7 44.5342 -3.3717 23.2430 H 1 BAB 0.3180
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+ 33 H8 41.6033 -3.8146 29.8821 H 1 BAB 0.2324
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48
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+ 37 H12 45.6415 0.1268 39.8158 H 1 BAB 0.3180
50
+ 38 H13 44.2391 -0.3929 38.8432 H 1 BAB 0.3180
51
+ 39 H14 42.2619 -2.2641 34.8489 H 1 BAB 0.2324
52
+ 40 H15 41.3374 -2.6928 32.3703 H 1 BAB 0.0794
53
+ 41 H16 40.8230 -1.0343 31.9104 H 1 BAB 0.0794
54
+ 42 H17 47.4348 1.3042 36.9908 H 1 BAB 0.3180
55
+ 43 H18 47.4665 1.0764 38.7600 H 1 BAB 0.3180
56
+ @<TRIPOS>BOND
57
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+ @<TRIPOS>SUBSTRUCTURE
104
+ 1 BAB 1
105
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2h44/2h44_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2h44/2h44_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff