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THU-ATOM
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PDBbind

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Add batch 141

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  1. 1abf/1abf_ligand.mol2 +62 -0
  2. 1abf/1abf_ligand.sdf +52 -0
  3. 1abf/1abf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1abf/1abf_protein_processed_fix.pdb +0 -0
  5. 1bmb/1bmb_ligand.mol2 +347 -0
  6. 1bmb/1bmb_ligand.sdf +345 -0
  7. 1bmb/1bmb_protein_esmfold_aligned_tr_fix.pdb +812 -0
  8. 1bmb/1bmb_protein_processed_fix.pdb +0 -0
  9. 1hk3/1hk3_ligand.mol2 +87 -0
  10. 1hk3/1hk3_ligand.sdf +79 -0
  11. 1hk3/1hk3_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1hk3/1hk3_protein_processed_fix.pdb +0 -0
  13. 1jii/1jii_ligand.mol2 +124 -0
  14. 1jii/1jii_ligand.sdf +116 -0
  15. 1jii/1jii_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1jii/1jii_protein_processed_fix.pdb +0 -0
  17. 1kdw/1kdw_ligand.mol2 +52 -0
  18. 1kdw/1kdw_ligand.sdf +44 -0
  19. 1kdw/1kdw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1kdw/1kdw_protein_processed_fix.pdb +0 -0
  21. 1nw4/1nw4_ligand.mol2 +86 -0
  22. 1nw4/1nw4_ligand.sdf +74 -0
  23. 1nw4/1nw4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1nw4/1nw4_protein_processed_fix.pdb +0 -0
  25. 1rpj/1rpj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1rpj/1rpj_protein_processed_fix.pdb +0 -0
  27. 1zhy/1zhy_ligand.mol2 +167 -0
  28. 1zhy/1zhy_ligand.sdf +157 -0
  29. 1zhy/1zhy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1zhy/1zhy_protein_processed_fix.pdb +0 -0
  31. 2ama/2ama_ligand.mol2 +121 -0
  32. 2ama/2ama_ligand.sdf +111 -0
  33. 2ama/2ama_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 2ama/2ama_protein_processed_fix.pdb +0 -0
  35. 2byr/2byr_ligand.mol2 +223 -0
  36. 2byr/2byr_ligand.sdf +213 -0
  37. 2byr/2byr_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2byr/2byr_protein_processed_fix.pdb +0 -0
  39. 2gnj/2gnj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2gnj/2gnj_protein_processed_fix.pdb +0 -0
  41. 2ph9/2ph9_ligand.mol2 +105 -0
  42. 2ph9/2ph9_ligand.sdf +95 -0
  43. 2ph9/2ph9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2ph9/2ph9_protein_processed_fix.pdb +0 -0
  45. 2pwc/2pwc_ligand.mol2 +170 -0
  46. 2pwc/2pwc_ligand.sdf +160 -0
  47. 2pwc/2pwc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2pwc/2pwc_protein_processed_fix.pdb +0 -0
  49. 2py4/2py4_ligand.mol2 +97 -0
  50. 2py4/2py4_ligand.sdf +95 -0
1abf/1abf_ligand.mol2 ADDED
@@ -0,0 +1,62 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:44 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1abf_ligand
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+ 23 23 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 C1 14.2200 56.9530 55.1730 C.3 1 FCA 0.1853
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+ 2 C2 12.7840 57.2190 54.8070 C.3 1 FCA 0.1339
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+ 3 C3 12.2730 56.2710 53.7800 C.3 1 FCA 0.1140
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+ 4 C4 13.1220 56.4430 52.5260 C.3 1 FCA 0.1095
17
+ 5 C5 14.6030 56.1780 52.8770 C.3 1 FCA 0.0873
18
+ 6 C6 15.6060 56.4290 51.7640 C.3 1 FCA -0.0361
19
+ 7 O1 14.4030 55.7180 55.7330 O.3 1 FCA -0.3649
20
+ 8 O2 11.9520 57.2620 56.0600 O.3 1 FCA -0.3841
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+ 9 O3 10.8700 56.5300 53.4920 O.3 1 FCA -0.3864
22
+ 10 O4 12.9720 57.7720 51.9890 O.3 1 FCA -0.3866
23
+ 11 O5 15.0190 57.0540 53.9120 O.3 1 FCA -0.3433
24
+ 12 H1 14.5568 57.7170 55.8891 H 1 FCA 0.0935
25
+ 13 H2 12.7407 58.2211 54.3555 H 1 FCA 0.0671
26
+ 14 H3 12.3743 55.2406 54.1513 H 1 FCA 0.0648
27
+ 15 H4 12.7949 55.7151 51.7690 H 1 FCA 0.0646
28
+ 16 H5 14.6887 55.1320 53.2066 H 1 FCA 0.0621
29
+ 17 H6 16.6203 56.2082 52.1278 H 1 FCA 0.0255
30
+ 18 H7 15.5501 57.4819 51.4506 H 1 FCA 0.0255
31
+ 19 H8 15.3740 55.7787 50.9077 H 1 FCA 0.0255
32
+ 20 H9 15.3239 55.5946 55.9308 H 1 FCA 0.2126
33
+ 21 H10 11.0673 57.5308 55.8422 H 1 FCA 0.2101
34
+ 22 H11 10.3591 56.4177 54.2850 H 1 FCA 0.2100
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+ 23 H12 13.4996 57.8563 51.2035 H 1 FCA 0.2100
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+ @<TRIPOS>BOND
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+ 1 1 2 1
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+ 2 1 7 1
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+ 3 1 11 1
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+ 4 2 3 1
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+ 5 2 8 1
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+ 6 3 4 1
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+ 17 6 17 1
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+ 18 6 18 1
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+ 19 6 19 1
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+ 20 7 20 1
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+ 21 8 21 1
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+ 22 9 22 1
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+ 23 10 23 1
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 FCA 1
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+
1abf/1abf_ligand.sdf ADDED
@@ -0,0 +1,52 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1abf_ligand
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+ -I-interpret-
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+
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+ 23 23 0 0 0 0 0 0 0 0999 V2000
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+ 14.2200 56.9530 55.1730 C 0 0 0 0 0
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+ 12.7840 57.2190 54.8070 C 0 0 0 0 0
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+ 12.2730 56.2710 53.7800 C 0 0 0 0 0
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+ 13.1220 56.4430 52.5260 C 0 0 0 0 0
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+ 14.6030 56.1780 52.8770 C 0 0 0 0 0
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+ 15.6060 56.4290 51.7640 C 0 0 0 0 0
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+ 14.4030 55.7180 55.7330 O 0 0 0 0 0
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+ 11.9520 57.2620 56.0600 O 0 0 0 0 0
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+ 10.8700 56.5300 53.4920 O 0 0 0 0 0
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+ 12.9720 57.7720 51.9890 O 0 0 0 0 0
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+ 15.0190 57.0540 53.9120 O 0 0 0 0 0
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+ 14.5361 57.6805 55.9206 H 0 0 0 0 0
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+ 12.7126 58.1952 54.3274 H 0 0 0 0 0
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+ 12.3431 55.2463 54.1450 H 0 0 0 0 0
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+ 12.7900 55.7313 51.7701 H 0 0 0 0 0
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+ 14.6086 55.1184 53.1325 H 0 0 0 0 0
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+ 15.5584 57.4755 51.4629 H 0 0 0 0 0
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+ 16.6093 56.1979 52.1219 H 0 0 0 0 0
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+ 15.3675 55.7931 50.9115 H 0 0 0 0 0
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+ 13.8896 55.6553 56.5418 H 0 0 0 0 0
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+ 12.3359 57.8900 56.6763 H 0 0 0 0 0
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+ 10.3537 56.4165 54.2934 H 0 0 0 0 0
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+ 12.0492 57.9269 51.7742 H 0 0 0 0 0
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+ 1 2 1 0 0 0
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+ 1 7 1 0 0 0
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+ 9 22 1 0 0 0
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+ 10 23 1 0 0 0
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+ M END
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+ $$$$
1abf/1abf_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1abf/1abf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bmb/1bmb_ligand.mol2 ADDED
@@ -0,0 +1,347 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1bmb_ligand
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+ 164 167 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 31.2670 35.6230 22.6650 N.4 1 LYS 0.2379
14
+ 2 CA 30.9650 35.2840 21.2440 C.3 1 LYS 0.0652
15
+ 3 C 30.9820 33.7650 21.0340 C.2 1 LYS 0.2292
16
+ 4 O 31.4600 33.0170 21.8950 O.2 1 LYS -0.3905
17
+ 5 CB 31.9680 35.9670 20.3100 C.3 1 LYS 0.0080
18
+ 6 CG 33.4050 35.5340 20.5000 C.3 1 LYS -0.0410
19
+ 7 CD 34.3100 36.3090 19.5580 C.3 1 LYS -0.0123
20
+ 8 CE 35.7680 35.9690 19.7850 C.3 1 LYS -0.0354
21
+ 9 NZ 36.6800 36.9050 19.0740 N.4 1 LYS 0.2185
22
+ 10 N 30.3910 33.2880 19.9230 N.am 1 PRO -0.2471
23
+ 11 CA 30.3560 31.8500 19.6340 C.3 1 PRO 0.1339
24
+ 12 C 31.7440 31.2290 19.4950 C.2 1 PRO 0.2042
25
+ 13 O 32.6560 31.8330 18.9430 O.2 1 PRO -0.3944
26
+ 14 CB 29.5630 31.7810 18.3200 C.3 1 PRO -0.0104
27
+ 15 CG 29.7820 33.1300 17.7050 C.3 1 PRO -0.0281
28
+ 16 CD 29.6660 34.0430 18.8870 C.3 1 PRO 0.0371
29
+ 17 N 31.8900 30.0240 20.0290 N.am 1 PHE -0.2619
30
+ 18 CA 33.1520 29.3060 19.9780 C.3 1 PHE 0.1404
31
+ 19 C 33.1040 28.2190 18.9070 C.2 1 PHE 0.2062
32
+ 20 O 32.0310 27.7480 18.5400 O.2 1 PHE -0.3942
33
+ 21 CB 33.4650 28.6960 21.3550 C.3 1 PHE 0.0214
34
+ 22 CG 32.3780 27.7960 21.8880 C.ar 1 PHE -0.0386
35
+ 23 CD1 31.3130 28.3320 22.6080 C.ar 1 PHE -0.0601
36
+ 24 CD2 32.3900 26.4270 21.6210 C.ar 1 PHE -0.0601
37
+ 25 CE1 30.2730 27.5220 23.0460 C.ar 1 PHE -0.0686
38
+ 26 CE2 31.3550 25.6070 22.0540 C.ar 1 PHE -0.0686
39
+ 27 CZ 30.2910 26.1550 22.7680 C.ar 1 PHE -0.0687
40
+ 28 N 34.2660 27.8590 18.3830 N.am 1 PTR -0.2606
41
+ 29 CA 34.3660 26.8130 17.3770 C.3 1 PTR 0.1468
42
+ 30 C 35.5640 25.9710 17.7690 C.2 1 PTR 0.2074
43
+ 31 O 36.6000 26.4970 18.1700 O.2 1 PTR -0.3941
44
+ 32 CB 34.5500 27.3970 15.9730 C.3 1 PTR 0.0400
45
+ 33 CG 33.4070 28.2930 15.5420 C.ar 1 PTR -0.0004
46
+ 34 CD1 32.2620 27.7710 14.9320 C.ar 1 PTR -0.0239
47
+ 35 CD2 33.4420 29.6560 15.8040 C.ar 1 PTR -0.0239
48
+ 36 CE1 31.1670 28.6030 14.5950 C.ar 1 PTR 0.0115
49
+ 37 CE2 32.3790 30.4800 15.4820 C.ar 1 PTR 0.0115
50
+ 38 CZ 31.2380 29.9640 14.8820 C.ar 1 PTR 0.1728
51
+ 39 OH 30.2050 30.8690 14.5680 O.3 1 PTR -0.2040
52
+ 40 P 28.7040 30.4420 14.3680 P.3 1 PTR 0.1348
53
+ 41 O1P 27.8520 31.6450 14.8410 O.co2 1 PTR -0.6653
54
+ 42 O2P 28.3810 29.1850 15.2170 O.co2 1 PTR -0.6653
55
+ 43 O3P 28.4750 30.1820 12.8630 O.co2 1 PTR -0.6653
56
+ 44 N 35.4170 24.6600 17.6600 N.am 1 VAL -0.2632
57
+ 45 CA 36.4690 23.7180 18.0300 C.3 1 VAL 0.1333
58
+ 46 C 37.8250 23.9800 17.3810 C.2 1 VAL 0.2043
59
+ 47 O 38.8630 23.7510 18.0010 O.2 1 VAL -0.3944
60
+ 48 CB 36.0180 22.2590 17.7520 C.3 1 VAL -0.0063
61
+ 49 CG1 37.1090 21.2520 18.1430 C.3 1 VAL -0.0584
62
+ 50 CG2 34.7280 21.9700 18.5130 C.3 1 VAL -0.0584
63
+ 51 N 37.8170 24.4850 16.1510 N.am 1 ASN -0.2616
64
+ 52 CA 39.0580 24.7510 15.4310 C.3 1 ASN 0.1476
65
+ 53 C 39.5200 26.1990 15.4440 C.2 1 ASN 0.2063
66
+ 54 O 40.4030 26.5680 14.6730 O.2 1 ASN -0.3942
67
+ 55 CB 38.9580 24.2690 13.9860 C.3 1 ASN 0.0773
68
+ 56 CG 37.8980 25.0040 13.2050 C.2 1 ASN 0.1780
69
+ 57 OD1 36.8670 25.3870 13.7530 O.2 1 ASN -0.3970
70
+ 58 ND2 38.1360 25.1990 11.9170 N.am 1 ASN -0.3007
71
+ 59 N 38.9440 27.0150 16.3200 N.am 1 VAL -0.2633
72
+ 60 CA 39.3240 28.4230 16.4220 C.3 1 VAL 0.1333
73
+ 61 C 39.7420 28.7350 17.8550 C.2 1 VAL 0.2042
74
+ 62 O 38.9650 28.5700 18.7990 O.2 1 VAL -0.3944
75
+ 63 CB 38.1690 29.3750 15.9980 C.3 1 VAL -0.0063
76
+ 64 CG1 38.5740 30.8260 16.2030 C.3 1 VAL -0.0584
77
+ 65 CG2 37.8070 29.1440 14.5400 C.3 1 VAL -0.0584
78
+ 66 N 40.9860 29.1640 18.0210 N.am 1 GLU -0.2636
79
+ 67 CA 41.4890 29.4880 19.3450 C.3 1 GLU 0.1324
80
+ 68 C 41.1940 30.9280 19.7470 C.2 1 GLU 0.2036
81
+ 69 O 41.3590 31.8510 18.9430 O.2 1 GLU -0.3944
82
+ 70 CB 42.9930 29.2240 19.4200 C.3 1 GLU -0.0008
83
+ 71 CG 43.5410 29.2700 20.8380 C.3 1 GLU 0.0044
84
+ 72 CD 45.0410 29.0920 20.8970 C.2 1 GLU 0.0350
85
+ 73 OE1 45.5690 28.1420 20.2750 O.co2 1 GLU -0.5690
86
+ 74 OE2 45.6900 29.9120 21.5770 O.co2 1 GLU -0.5690
87
+ 75 N 40.6870 31.1050 20.9640 N.am 1 PHE -0.2677
88
+ 76 CA 40.4050 32.4360 21.4900 C.3 1 PHE 0.1039
89
+ 77 C 41.7000 33.0260 22.0670 C.2 1 PHE 0.0621
90
+ 78 O 42.4230 32.2920 22.7810 O.co2 1 PHE -0.5664
91
+ 79 CB 39.3310 32.3810 22.5850 C.3 1 PHE 0.0159
92
+ 80 CG 37.9160 32.3910 22.0720 C.ar 1 PHE -0.0392
93
+ 81 CD1 37.6310 32.0470 20.7600 C.ar 1 PHE -0.0602
94
+ 82 CD2 36.8630 32.7230 22.9180 C.ar 1 PHE -0.0602
95
+ 83 CE1 36.3410 32.0260 20.3100 C.ar 1 PHE -0.0686
96
+ 84 CE2 35.5510 32.7030 22.4650 C.ar 1 PHE -0.0686
97
+ 85 CZ 35.2920 32.3540 21.1600 C.ar 1 PHE -0.0687
98
+ 86 OXT 41.9580 34.2250 21.8420 O.co2 1 PHE -0.5664
99
+ 87 H1 31.2511 36.6240 22.7823 H 1 LYS 0.2015
100
+ 88 H2 32.1797 35.2708 22.9078 H 1 LYS 0.2015
101
+ 89 H3 30.5743 35.2034 23.2651 H 1 LYS 0.2015
102
+ 90 H4 29.9578 35.6557 21.0046 H 1 LYS 0.1098
103
+ 91 H5 31.9117 37.0521 20.4813 H 1 LYS 0.0346
104
+ 92 H6 31.6773 35.7439 19.2729 H 1 LYS 0.0346
105
+ 93 H7 33.4926 34.4585 20.2866 H 1 LYS 0.0270
106
+ 94 H8 33.7095 35.7277 21.5391 H 1 LYS 0.0270
107
+ 95 H9 34.1636 37.3860 19.7269 H 1 LYS 0.0317
108
+ 96 H10 34.0424 36.0609 18.5203 H 1 LYS 0.0317
109
+ 97 H11 35.9545 34.9478 19.4213 H 1 LYS 0.0813
110
+ 98 H12 35.9797 36.0186 20.8633 H 1 LYS 0.0813
111
+ 99 H13 37.6367 36.6423 19.2523 H 1 LYS 0.1994
112
+ 100 H14 36.5222 37.8440 19.4047 H 1 LYS 0.1994
113
+ 101 H15 36.4991 36.8628 18.0833 H 1 LYS 0.1994
114
+ 102 H16 29.8183 31.3182 20.4328 H 1 PRO 0.0802
115
+ 103 H17 28.4945 31.6070 18.5148 H 1 PRO 0.0313
116
+ 104 H18 29.9514 30.9846 17.6682 H 1 PRO 0.0313
117
+ 105 H19 29.0123 33.3540 16.9517 H 1 PRO 0.0287
118
+ 106 H20 30.7781 33.2004 17.2437 H 1 PRO 0.0287
119
+ 107 H21 30.1437 35.0143 18.6912 H 1 PRO 0.0524
120
+ 108 H22 28.6146 34.2016 19.1689 H 1 PRO 0.0524
121
+ 109 H23 31.1071 29.5962 20.4808 H 1 PHE 0.1885
122
+ 110 H24 33.9508 30.0166 19.7191 H 1 PHE 0.0823
123
+ 111 H25 33.6163 29.5172 22.0710 H 1 PHE 0.0474
124
+ 112 H26 34.3907 28.1079 21.2706 H 1 PHE 0.0474
125
+ 113 H27 31.2955 29.3931 22.8290 H 1 PHE 0.0557
126
+ 114 H28 33.2176 25.9971 21.0685 H 1 PHE 0.0557
127
+ 115 H29 29.4483 27.9516 23.6032 H 1 PHE 0.0599
128
+ 116 H30 31.3752 24.5451 21.8372 H 1 PHE 0.0599
129
+ 117 H31 29.4796 25.5208 23.1064 H 1 PHE 0.0559
130
+ 118 H32 35.0993 28.3200 18.6880 H 1 PTR 0.1886
131
+ 119 H33 33.4546 26.1972 17.3887 H 1 PTR 0.0840
132
+ 120 H34 34.6311 26.5659 15.2570 H 1 PTR 0.0584
133
+ 121 H35 35.4793 27.9854 15.9586 H 1 PTR 0.0584
134
+ 122 H36 32.2119 26.7105 14.7133 H 1 PTR 0.0703
135
+ 123 H37 34.3217 30.0837 16.2712 H 1 PTR 0.0703
136
+ 124 H38 30.2859 28.1866 14.1203 H 1 PTR 0.0736
137
+ 125 H39 32.4372 31.5402 15.7004 H 1 PTR 0.0736
138
+ 126 H40 34.5516 24.3009 17.3106 H 1 VAL 0.1883
139
+ 127 H41 36.6136 23.8193 19.1157 H 1 VAL 0.0802
140
+ 128 H42 35.8218 22.1542 16.6747 H 1 VAL 0.0343
141
+ 129 H43 36.7575 20.2309 17.9336 H 1 VAL 0.0234
142
+ 130 H44 37.3314 21.3504 19.2158 H 1 VAL 0.0234
143
+ 131 H45 38.0197 21.4531 17.5598 H 1 VAL 0.0234
144
+ 132 H46 33.9586 22.6999 18.2209 H 1 VAL 0.0234
145
+ 133 H47 34.9149 22.0472 19.5942 H 1 VAL 0.0234
146
+ 134 H48 34.3801 20.9546 18.2726 H 1 VAL 0.0234
147
+ 135 H49 36.9423 24.6867 15.7102 H 1 ASN 0.1885
148
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149
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+ M END
345
+ $$$$
1bmb/1bmb_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,812 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C LYS A 1 22.762 17.796 -6.113 1.00 55.54 C
2
+ ATOM 2 CA LYS A 1 22.787 17.092 -7.466 1.00 55.72 C
3
+ ATOM 3 CB LYS A 1 23.627 15.817 -7.378 1.00 47.46 C
4
+ ATOM 4 CD LYS A 1 23.778 13.326 -7.708 1.00 48.85 C
5
+ ATOM 5 CE LYS A 1 23.063 12.075 -8.201 1.00 40.84 C
6
+ ATOM 6 CG LYS A 1 22.896 14.562 -7.832 1.00 45.59 C
7
+ ATOM 7 N LYS A 1 23.302 17.974 -8.509 1.00 53.19 N
8
+ ATOM 8 NZ LYS A 1 23.933 10.865 -8.107 1.00 36.64 N
9
+ ATOM 9 O LYS A 1 23.767 18.369 -5.687 1.00 52.33 O
10
+ ATOM 10 C PRO A 2 22.502 18.240 -3.207 1.00 75.92 C
11
+ ATOM 11 CA PRO A 2 21.572 18.769 -4.296 1.00 74.47 C
12
+ ATOM 12 CB PRO A 2 20.105 18.542 -3.918 1.00 68.47 C
13
+ ATOM 13 CD PRO A 2 20.653 17.148 -5.835 1.00 63.24 C
14
+ ATOM 14 CG PRO A 2 19.694 17.332 -4.694 1.00 64.39 C
15
+ ATOM 15 N PRO A 2 21.710 18.044 -5.561 1.00 75.23 N
16
+ ATOM 16 O PRO A 2 22.858 17.058 -3.215 1.00 70.06 O
17
+ ATOM 17 C HIS A 3 23.176 18.658 -0.162 1.00 86.85 C
18
+ ATOM 18 CA HIS A 3 24.129 18.754 -1.348 1.00 86.54 C
19
+ ATOM 19 CB HIS A 3 25.194 19.820 -1.081 1.00 83.68 C
20
+ ATOM 20 CD2 HIS A 3 26.319 21.183 -2.979 1.00 72.85 C
21
+ ATOM 21 CE1 HIS A 3 27.597 19.596 -3.787 1.00 71.90 C
22
+ ATOM 22 CG HIS A 3 26.101 20.068 -2.244 1.00 78.08 C
23
+ ATOM 23 N HIS A 3 23.408 19.051 -2.581 1.00 85.92 N
24
+ ATOM 24 ND1 HIS A 3 26.915 19.090 -2.772 1.00 69.02 N
25
+ ATOM 25 NE2 HIS A 3 27.253 20.864 -3.933 1.00 70.23 N
26
+ ATOM 26 O HIS A 3 22.738 19.679 0.373 1.00 84.28 O
27
+ ATOM 27 C PRO A 4 22.252 17.732 2.649 1.00 87.42 C
28
+ ATOM 28 CA PRO A 4 21.704 17.259 1.306 1.00 86.77 C
29
+ ATOM 29 CB PRO A 4 21.435 15.753 1.325 1.00 84.66 C
30
+ ATOM 30 CD PRO A 4 23.095 16.148 -0.408 1.00 78.45 C
31
+ ATOM 31 CG PRO A 4 22.588 15.148 0.591 1.00 80.20 C
32
+ ATOM 32 N PRO A 4 22.670 17.414 0.215 1.00 86.16 N
33
+ ATOM 33 O PRO A 4 21.483 17.953 3.589 1.00 86.30 O
34
+ ATOM 34 C TRP A 5 24.173 19.887 4.077 1.00 89.81 C
35
+ ATOM 35 CA TRP A 5 24.114 18.366 3.981 1.00 90.71 C
36
+ ATOM 36 CB TRP A 5 25.525 17.780 4.082 1.00 88.74 C
37
+ ATOM 37 CD1 TRP A 5 26.484 16.965 1.845 1.00 76.87 C
38
+ ATOM 38 CD2 TRP A 5 27.092 19.045 2.407 1.00 79.96 C
39
+ ATOM 39 CE2 TRP A 5 27.684 18.721 1.167 1.00 84.18 C
40
+ ATOM 40 CE3 TRP A 5 27.331 20.308 2.965 1.00 85.52 C
41
+ ATOM 41 CG TRP A 5 26.329 17.908 2.822 1.00 83.94 C
42
+ ATOM 42 CH2 TRP A 5 28.721 20.845 1.042 1.00 82.23 C
43
+ ATOM 43 CZ2 TRP A 5 28.502 19.616 0.474 1.00 83.75 C
44
+ ATOM 44 CZ3 TRP A 5 28.146 21.198 2.274 1.00 83.50 C
45
+ ATOM 45 N TRP A 5 23.473 17.948 2.739 1.00 88.97 N
46
+ ATOM 46 NE1 TRP A 5 27.298 17.448 0.846 1.00 85.87 N
47
+ ATOM 47 O TRP A 5 24.577 20.435 5.106 1.00 87.68 O
48
+ ATOM 48 C PHE A 6 22.596 22.683 3.481 1.00 90.64 C
49
+ ATOM 49 CA PHE A 6 23.952 22.096 3.109 1.00 91.25 C
50
+ ATOM 50 CB PHE A 6 24.417 22.659 1.763 1.00 90.09 C
51
+ ATOM 51 CD1 PHE A 6 25.678 24.738 2.409 1.00 83.68 C
52
+ ATOM 52 CD2 PHE A 6 23.686 24.974 1.108 1.00 84.29 C
53
+ ATOM 53 CE1 PHE A 6 25.848 26.121 2.407 1.00 84.60 C
54
+ ATOM 54 CE2 PHE A 6 23.850 26.356 1.102 1.00 85.53 C
55
+ ATOM 55 CG PHE A 6 24.598 24.153 1.760 1.00 87.55 C
56
+ ATOM 56 CZ PHE A 6 24.931 26.928 1.754 1.00 83.40 C
57
+ ATOM 57 N PHE A 6 23.891 20.640 3.061 1.00 90.99 N
58
+ ATOM 58 O PHE A 6 21.625 22.537 2.736 1.00 89.13 O
59
+ ATOM 59 C PHE A 7 21.083 25.330 5.029 1.00 89.09 C
60
+ ATOM 60 CA PHE A 7 21.212 23.814 5.119 1.00 90.23 C
61
+ ATOM 61 CB PHE A 7 21.048 23.358 6.572 1.00 89.60 C
62
+ ATOM 62 CD1 PHE A 7 19.352 21.565 7.063 1.00 85.67 C
63
+ ATOM 63 CD2 PHE A 7 21.579 20.902 6.499 1.00 85.81 C
64
+ ATOM 64 CE1 PHE A 7 18.982 20.228 7.195 1.00 85.60 C
65
+ ATOM 65 CE2 PHE A 7 21.216 19.564 6.629 1.00 86.52 C
66
+ ATOM 66 CG PHE A 7 20.651 21.913 6.715 1.00 88.60 C
67
+ ATOM 67 CZ PHE A 7 19.918 19.230 6.978 1.00 84.40 C
68
+ ATOM 68 N PHE A 7 22.495 23.371 4.584 1.00 90.43 N
69
+ ATOM 69 O PHE A 7 20.059 25.895 5.420 1.00 86.67 O
70
+ ATOM 70 C GLY A 8 21.981 28.193 5.495 1.00 89.10 C
71
+ ATOM 71 CA GLY A 8 22.038 27.387 4.211 1.00 88.83 C
72
+ ATOM 72 N GLY A 8 22.126 25.954 4.438 1.00 89.27 N
73
+ ATOM 73 O GLY A 8 22.773 27.966 6.412 1.00 87.56 O
74
+ ATOM 74 C LYS A 9 19.978 29.365 7.793 1.00 88.57 C
75
+ ATOM 75 CA LYS A 9 20.855 29.976 6.704 1.00 89.15 C
76
+ ATOM 76 CB LYS A 9 20.302 31.339 6.288 1.00 86.53 C
77
+ ATOM 77 CD LYS A 9 20.643 33.499 5.041 1.00 74.78 C
78
+ ATOM 78 CE LYS A 9 21.551 34.277 4.099 1.00 68.21 C
79
+ ATOM 79 CG LYS A 9 21.243 32.148 5.408 1.00 78.54 C
80
+ ATOM 80 N LYS A 9 20.954 29.089 5.549 1.00 89.39 N
81
+ ATOM 81 NZ LYS A 9 20.932 35.569 3.675 1.00 59.49 N
82
+ ATOM 82 O LYS A 9 18.749 29.409 7.705 1.00 85.95 O
83
+ ATOM 83 C ILE A 10 20.553 28.505 11.058 1.00 90.44 C
84
+ ATOM 84 CA ILE A 10 19.766 28.122 9.807 1.00 90.47 C
85
+ ATOM 85 CB ILE A 10 19.539 26.595 9.763 1.00 89.39 C
86
+ ATOM 86 CD1 ILE A 10 20.750 24.363 10.099 1.00 82.32 C
87
+ ATOM 87 CG1 ILE A 10 20.879 25.854 9.820 1.00 85.98 C
88
+ ATOM 88 CG2 ILE A 10 18.749 26.202 8.511 1.00 85.89 C
89
+ ATOM 89 N ILE A 10 20.471 28.592 8.619 1.00 90.52 N
90
+ ATOM 90 O ILE A 10 21.787 28.487 11.053 1.00 89.24 O
91
+ ATOM 91 C PRO A 11 21.182 28.010 14.015 1.00 90.98 C
92
+ ATOM 92 CA PRO A 11 20.530 29.221 13.353 1.00 90.29 C
93
+ ATOM 93 CB PRO A 11 19.423 29.798 14.239 1.00 88.75 C
94
+ ATOM 94 CD PRO A 11 18.424 29.233 12.094 1.00 83.42 C
95
+ ATOM 95 CG PRO A 11 18.311 30.128 13.296 1.00 83.95 C
96
+ ATOM 96 N PRO A 11 19.828 28.880 12.115 1.00 90.24 N
97
+ ATOM 97 O PRO A 11 20.748 26.875 13.799 1.00 90.52 O
98
+ ATOM 98 C ARG A 12 22.019 26.431 16.346 1.00 91.44 C
99
+ ATOM 99 CA ARG A 12 22.949 27.324 15.531 1.00 91.03 C
100
+ ATOM 100 CB ARG A 12 23.974 27.991 16.450 1.00 89.26 C
101
+ ATOM 101 CD ARG A 12 25.898 27.715 18.051 1.00 81.63 C
102
+ ATOM 102 CG ARG A 12 24.806 27.010 17.260 1.00 83.08 C
103
+ ATOM 103 CZ ARG A 12 28.033 26.814 18.915 1.00 73.93 C
104
+ ATOM 104 N ARG A 12 22.192 28.330 14.791 1.00 90.69 N
105
+ ATOM 105 NE ARG A 12 26.708 26.768 18.813 1.00 77.13 N
106
+ ATOM 106 NH1 ARG A 12 28.728 27.767 18.303 1.00 67.52 N
107
+ ATOM 107 NH2 ARG A 12 28.671 25.903 19.635 1.00 65.87 N
108
+ ATOM 108 O ARG A 12 22.192 25.211 16.375 1.00 90.88 O
109
+ ATOM 109 C ALA A 13 19.317 25.194 17.055 1.00 92.74 C
110
+ ATOM 110 CA ALA A 13 20.108 26.210 17.873 1.00 92.47 C
111
+ ATOM 111 CB ALA A 13 19.158 27.160 18.599 1.00 91.09 C
112
+ ATOM 112 N ALA A 13 21.032 26.962 17.028 1.00 92.34 N
113
+ ATOM 113 O ALA A 13 19.069 24.077 17.512 1.00 92.11 O
114
+ ATOM 114 C LYS A 14 19.074 23.566 14.531 1.00 93.64 C
115
+ ATOM 115 CA LYS A 14 18.178 24.708 15.001 1.00 93.28 C
116
+ ATOM 116 CB LYS A 14 17.615 25.463 13.795 1.00 91.93 C
117
+ ATOM 117 CD LYS A 14 15.460 24.180 13.577 1.00 80.23 C
118
+ ATOM 118 CE LYS A 14 14.526 23.449 12.623 1.00 73.30 C
119
+ ATOM 119 CG LYS A 14 16.745 24.611 12.882 1.00 84.42 C
120
+ ATOM 120 N LYS A 14 18.903 25.618 15.882 1.00 93.27 N
121
+ ATOM 121 NZ LYS A 14 13.234 23.089 13.280 1.00 66.53 N
122
+ ATOM 122 O LYS A 14 18.630 22.420 14.436 1.00 93.07 O
123
+ ATOM 123 C ALA A 15 21.419 21.839 14.982 1.00 93.32 C
124
+ ATOM 124 CA ALA A 15 21.247 22.849 13.852 1.00 93.33 C
125
+ ATOM 125 CB ALA A 15 22.594 23.463 13.483 1.00 92.38 C
126
+ ATOM 126 N ALA A 15 20.295 23.894 14.222 1.00 93.01 N
127
+ ATOM 127 O ALA A 15 21.433 20.629 14.745 1.00 92.64 O
128
+ ATOM 128 C GLU A 16 20.457 20.548 17.534 1.00 93.34 C
129
+ ATOM 129 CA GLU A 16 21.687 21.432 17.351 1.00 93.52 C
130
+ ATOM 130 CB GLU A 16 21.932 22.261 18.614 1.00 92.28 C
131
+ ATOM 131 CD GLU A 16 23.497 23.823 19.863 1.00 85.19 C
132
+ ATOM 132 CG GLU A 16 23.318 22.886 18.680 1.00 87.23 C
133
+ ATOM 133 N GLU A 16 21.543 22.302 16.187 1.00 93.45 N
134
+ ATOM 134 O GLU A 16 20.580 19.356 17.827 1.00 92.52 O
135
+ ATOM 135 OE1 GLU A 16 22.538 24.002 20.647 1.00 83.07 O
136
+ ATOM 136 OE2 GLU A 16 24.607 24.383 20.008 1.00 83.18 O
137
+ ATOM 137 C GLU A 17 18.003 19.307 16.442 1.00 93.30 C
138
+ ATOM 138 CA GLU A 17 18.069 20.420 17.484 1.00 93.28 C
139
+ ATOM 139 CB GLU A 17 16.865 21.352 17.335 1.00 91.93 C
140
+ ATOM 140 CD GLU A 17 14.337 21.546 17.172 1.00 79.49 C
141
+ ATOM 141 CG GLU A 17 15.522 20.655 17.503 1.00 84.14 C
142
+ ATOM 142 N GLU A 17 19.316 21.171 17.374 1.00 93.48 N
143
+ ATOM 143 O GLU A 17 17.664 18.166 16.765 1.00 92.43 O
144
+ ATOM 144 OE1 GLU A 17 14.526 22.774 17.016 1.00 76.62 O
145
+ ATOM 145 OE2 GLU A 17 13.210 21.013 17.067 1.00 74.05 O
146
+ ATOM 146 C MET A 18 19.295 17.480 14.379 1.00 93.11 C
147
+ ATOM 147 CA MET A 18 18.287 18.601 14.145 1.00 93.00 C
148
+ ATOM 148 CB MET A 18 18.568 19.285 12.806 1.00 92.00 C
149
+ ATOM 149 CE MET A 18 17.919 19.710 9.631 1.00 79.18 C
150
+ ATOM 150 CG MET A 18 17.454 20.210 12.345 1.00 87.26 C
151
+ ATOM 151 N MET A 18 18.325 19.572 15.235 1.00 93.04 N
152
+ ATOM 152 O MET A 18 18.984 16.306 14.172 1.00 92.40 O
153
+ ATOM 153 SD MET A 18 17.875 21.100 10.796 1.00 86.47 S
154
+ ATOM 154 C LEU A 19 21.324 15.959 16.215 1.00 92.87 C
155
+ ATOM 155 CA LEU A 19 21.523 16.803 14.960 1.00 93.54 C
156
+ ATOM 156 CB LEU A 19 22.882 17.507 15.014 1.00 93.03 C
157
+ ATOM 157 CD1 LEU A 19 24.661 18.903 13.932 1.00 89.77 C
158
+ ATOM 158 CD2 LEU A 19 23.687 16.942 12.705 1.00 89.50 C
159
+ ATOM 159 CG LEU A 19 23.406 18.069 13.693 1.00 92.13 C
160
+ ATOM 160 N LEU A 19 20.448 17.779 14.815 1.00 93.39 N
161
+ ATOM 161 O LEU A 19 21.780 14.815 16.276 1.00 91.53 O
162
+ ATOM 162 C SER A 20 19.422 14.588 18.172 1.00 91.24 C
163
+ ATOM 163 CA SER A 20 20.366 15.754 18.442 1.00 91.87 C
164
+ ATOM 164 CB SER A 20 19.775 16.660 19.524 1.00 90.46 C
165
+ ATOM 165 N SER A 20 20.628 16.516 17.225 1.00 92.30 N
166
+ ATOM 166 O SER A 20 19.405 13.610 18.921 1.00 89.58 O
167
+ ATOM 167 OG SER A 20 18.472 17.086 19.166 1.00 80.10 O
168
+ ATOM 168 C LYS A 21 18.418 12.515 15.868 1.00 90.97 C
169
+ ATOM 169 CA LYS A 21 17.752 13.633 16.665 1.00 91.11 C
170
+ ATOM 170 CB LYS A 21 16.600 14.236 15.859 1.00 89.73 C
171
+ ATOM 171 CD LYS A 21 14.637 15.810 15.783 1.00 81.41 C
172
+ ATOM 172 CE LYS A 21 13.808 16.826 16.557 1.00 75.03 C
173
+ ATOM 173 CG LYS A 21 15.725 15.194 16.653 1.00 84.57 C
174
+ ATOM 174 N LYS A 21 18.718 14.665 17.030 1.00 91.53 N
175
+ ATOM 175 NZ LYS A 21 12.803 17.503 15.684 1.00 69.28 N
176
+ ATOM 176 O LYS A 21 17.796 11.488 15.589 1.00 89.50 O
177
+ ATOM 177 C GLN A 22 20.856 10.665 15.699 1.00 90.19 C
178
+ ATOM 178 CA GLN A 22 20.302 11.770 14.805 1.00 91.25 C
179
+ ATOM 179 CB GLN A 22 21.435 12.422 14.011 1.00 90.41 C
180
+ ATOM 180 CD GLN A 22 19.981 12.996 12.021 1.00 85.59 C
181
+ ATOM 181 CG GLN A 22 20.969 13.508 13.052 1.00 87.92 C
182
+ ATOM 182 N GLN A 22 19.585 12.770 15.588 1.00 91.51 N
183
+ ATOM 183 NE2 GLN A 22 18.841 13.671 11.906 1.00 85.10 N
184
+ ATOM 184 O GLN A 22 21.243 10.918 16.842 1.00 88.23 O
185
+ ATOM 185 OE1 GLN A 22 20.239 12.005 11.332 1.00 84.18 O
186
+ ATOM 186 C ARG A 23 22.855 8.023 15.839 1.00 87.85 C
187
+ ATOM 187 CA ARG A 23 21.345 8.224 15.907 1.00 88.06 C
188
+ ATOM 188 CB ARG A 23 20.626 6.966 15.414 1.00 84.69 C
189
+ ATOM 189 CD ARG A 23 18.487 5.643 15.285 1.00 71.15 C
190
+ ATOM 190 CG ARG A 23 19.134 6.956 15.702 1.00 74.52 C
191
+ ATOM 191 CZ ARG A 23 16.242 4.608 15.330 1.00 62.74 C
192
+ ATOM 192 N ARG A 23 20.936 9.387 15.126 1.00 88.59 N
193
+ ATOM 193 NE ARG A 23 17.054 5.635 15.564 1.00 63.54 N
194
+ ATOM 194 NH1 ARG A 23 16.708 3.481 14.804 1.00 50.90 N
195
+ ATOM 195 NH2 ARG A 23 14.954 4.708 15.624 1.00 46.03 N
196
+ ATOM 196 O ARG A 23 23.479 7.633 16.828 1.00 85.76 O
197
+ ATOM 197 C HIS A 24 25.732 9.265 14.859 1.00 89.73 C
198
+ ATOM 198 CA HIS A 24 24.833 8.052 14.634 1.00 88.96 C
199
+ ATOM 199 CB HIS A 24 25.082 7.467 13.243 1.00 86.94 C
200
+ ATOM 200 CD2 HIS A 24 25.471 9.266 11.415 1.00 76.54 C
201
+ ATOM 201 CE1 HIS A 24 23.418 9.388 10.656 1.00 74.59 C
202
+ ATOM 202 CG HIS A 24 24.719 8.394 12.127 1.00 81.45 C
203
+ ATOM 203 N HIS A 24 23.427 8.402 14.797 1.00 88.89 N
204
+ ATOM 204 ND1 HIS A 24 23.437 8.493 11.629 1.00 76.21 N
205
+ ATOM 205 NE2 HIS A 24 24.639 9.871 10.506 1.00 76.29 N
206
+ ATOM 206 O HIS A 24 25.368 10.387 14.502 1.00 88.74 O
207
+ ATOM 207 C ASP A 25 28.421 10.335 14.082 1.00 90.48 C
208
+ ATOM 208 CA ASP A 25 27.916 9.942 15.469 1.00 90.18 C
209
+ ATOM 209 CB ASP A 25 29.072 9.413 16.320 1.00 88.53 C
210
+ ATOM 210 CG ASP A 25 28.775 9.441 17.808 1.00 83.69 C
211
+ ATOM 211 N ASP A 25 26.851 8.948 15.378 1.00 89.80 N
212
+ ATOM 212 O ASP A 25 28.408 9.520 13.158 1.00 89.60 O
213
+ ATOM 213 OD1 ASP A 25 27.832 10.144 18.229 1.00 81.55 O
214
+ ATOM 214 OD2 ASP A 25 29.493 8.755 18.569 1.00 81.38 O
215
+ ATOM 215 C GLY A 26 28.272 12.660 11.847 1.00 92.03 C
216
+ ATOM 216 CA GLY A 26 29.307 12.017 12.753 1.00 91.92 C
217
+ ATOM 217 N GLY A 26 28.749 11.537 14.007 1.00 91.50 N
218
+ ATOM 218 O GLY A 26 28.612 13.200 10.792 1.00 91.05 O
219
+ ATOM 219 C ALA A 27 26.287 14.742 11.470 1.00 93.92 C
220
+ ATOM 220 CA ALA A 27 25.971 13.249 11.496 1.00 93.67 C
221
+ ATOM 221 CB ALA A 27 24.588 13.011 12.098 1.00 92.59 C
222
+ ATOM 222 N ALA A 27 26.985 12.510 12.243 1.00 93.35 N
223
+ ATOM 223 O ALA A 27 26.586 15.337 12.508 1.00 93.50 O
224
+ ATOM 224 C PHE A 28 25.792 17.512 9.251 1.00 93.72 C
225
+ ATOM 225 CA PHE A 28 26.660 16.683 10.190 1.00 94.13 C
226
+ ATOM 226 CB PHE A 28 28.116 16.703 9.714 1.00 93.74 C
227
+ ATOM 227 CD1 PHE A 28 28.214 15.227 7.679 1.00 91.39 C
228
+ ATOM 228 CD2 PHE A 28 28.477 17.585 7.388 1.00 91.25 C
229
+ ATOM 229 CE1 PHE A 28 28.359 15.036 6.307 1.00 91.30 C
230
+ ATOM 230 CE2 PHE A 28 28.622 17.403 6.015 1.00 91.52 C
231
+ ATOM 231 CG PHE A 28 28.272 16.500 8.231 1.00 93.06 C
232
+ ATOM 232 CZ PHE A 28 28.564 16.128 5.477 1.00 90.81 C
233
+ ATOM 233 N PHE A 28 26.167 15.313 10.277 1.00 93.81 N
234
+ ATOM 234 O PHE A 28 25.029 16.962 8.455 1.00 92.89 O
235
+ ATOM 235 C LEU A 29 26.274 20.955 8.191 1.00 93.67 C
236
+ ATOM 236 CA LEU A 29 25.384 19.720 8.274 1.00 93.59 C
237
+ ATOM 237 CB LEU A 29 23.953 20.130 8.632 1.00 92.43 C
238
+ ATOM 238 CD1 LEU A 29 24.068 22.169 10.087 1.00 77.32 C
239
+ ATOM 239 CD2 LEU A 29 22.307 20.430 10.502 1.00 77.11 C
240
+ ATOM 240 CG LEU A 29 23.738 20.680 10.043 1.00 86.26 C
241
+ ATOM 241 N LEU A 29 25.903 18.770 9.252 1.00 93.52 N
242
+ ATOM 242 O LEU A 29 27.001 21.266 9.137 1.00 93.07 O
243
+ ATOM 243 C ILE A 30 25.979 23.985 6.736 1.00 93.02 C
244
+ ATOM 244 CA ILE A 30 27.003 22.863 6.888 1.00 93.46 C
245
+ ATOM 245 CB ILE A 30 27.917 22.799 5.644 1.00 92.51 C
246
+ ATOM 246 CD1 ILE A 30 30.008 21.667 4.687 1.00 84.04 C
247
+ ATOM 247 CG1 ILE A 30 29.058 21.800 5.870 1.00 87.83 C
248
+ ATOM 248 CG2 ILE A 30 28.466 24.188 5.305 1.00 87.57 C
249
+ ATOM 249 N ILE A 30 26.317 21.595 7.112 1.00 93.45 N
250
+ ATOM 250 O ILE A 30 24.965 23.820 6.054 1.00 91.95 O
251
+ ATOM 251 C ARG A 31 26.074 27.503 7.275 1.00 92.07 C
252
+ ATOM 252 CA ARG A 31 25.310 26.189 7.405 1.00 92.39 C
253
+ ATOM 253 CB ARG A 31 24.477 26.193 8.689 1.00 91.61 C
254
+ ATOM 254 CD ARG A 31 24.438 25.971 11.197 1.00 88.31 C
255
+ ATOM 255 CG ARG A 31 25.307 26.153 9.962 1.00 89.75 C
256
+ ATOM 256 CZ ARG A 31 25.649 26.952 13.117 1.00 84.29 C
257
+ ATOM 257 N ARG A 31 26.220 25.050 7.388 1.00 92.45 N
258
+ ATOM 258 NE ARG A 31 25.239 25.899 12.415 1.00 85.62 N
259
+ ATOM 259 NH1 ARG A 31 25.339 28.184 12.733 1.00 77.68 N
260
+ ATOM 260 NH2 ARG A 31 26.375 26.771 14.210 1.00 77.13 N
261
+ ATOM 261 O ARG A 31 27.289 27.544 7.481 1.00 91.14 O
262
+ ATOM 262 C GLU A 32 26.174 30.382 8.353 1.00 90.01 C
263
+ ATOM 263 CA GLU A 32 25.949 29.888 6.927 1.00 90.54 C
264
+ ATOM 264 CB GLU A 32 25.052 30.869 6.167 1.00 88.61 C
265
+ ATOM 265 CD GLU A 32 24.134 31.619 3.919 1.00 78.59 C
266
+ ATOM 266 CG GLU A 32 24.989 30.609 4.668 1.00 81.10 C
267
+ ATOM 267 N GLU A 32 25.369 28.549 6.918 1.00 90.88 N
268
+ ATOM 268 O GLU A 32 25.346 30.145 9.236 1.00 88.32 O
269
+ ATOM 269 OE1 GLU A 32 23.992 32.767 4.397 1.00 74.55 O
270
+ ATOM 270 OE2 GLU A 32 23.600 31.258 2.847 1.00 73.90 O
271
+ ATOM 271 C SER A 33 26.731 32.668 10.227 1.00 85.46 C
272
+ ATOM 272 CA SER A 33 27.618 31.478 9.874 1.00 85.86 C
273
+ ATOM 273 CB SER A 33 29.089 31.889 9.944 1.00 84.16 C
274
+ ATOM 274 N SER A 33 27.296 30.953 8.550 1.00 86.33 N
275
+ ATOM 275 O SER A 33 26.490 33.539 9.389 1.00 83.52 O
276
+ ATOM 276 OG SER A 33 29.374 32.528 11.178 1.00 77.14 O
277
+ ATOM 277 C GLU A 34 26.375 35.010 12.218 1.00 80.66 C
278
+ ATOM 278 CA GLU A 34 25.481 33.814 11.899 1.00 81.56 C
279
+ ATOM 279 CB GLU A 34 24.640 33.445 13.124 1.00 79.66 C
280
+ ATOM 280 CD GLU A 34 22.670 32.130 14.043 1.00 74.01 C
281
+ ATOM 281 CG GLU A 34 23.521 32.457 12.826 1.00 75.46 C
282
+ ATOM 282 N GLU A 34 26.271 32.669 11.455 1.00 82.59 N
283
+ ATOM 283 O GLU A 34 25.971 36.160 12.032 1.00 77.77 O
284
+ ATOM 284 OE1 GLU A 34 23.145 31.389 14.933 1.00 71.23 O
285
+ ATOM 285 OE2 GLU A 34 21.519 32.617 14.106 1.00 70.64 O
286
+ ATOM 286 C SER A 35 29.224 36.453 12.046 1.00 80.61 C
287
+ ATOM 287 CA SER A 35 28.388 35.820 13.153 1.00 81.53 C
288
+ ATOM 288 CB SER A 35 29.307 35.283 14.251 1.00 79.32 C
289
+ ATOM 289 N SER A 35 27.538 34.755 12.631 1.00 82.59 N
290
+ ATOM 290 O SER A 35 29.699 37.582 12.187 1.00 77.35 O
291
+ ATOM 291 OG SER A 35 30.192 34.305 13.734 1.00 70.36 O
292
+ ATOM 292 C ALA A 36 29.626 35.863 8.589 1.00 80.06 C
293
+ ATOM 293 CA ALA A 36 30.281 36.187 9.929 1.00 79.74 C
294
+ ATOM 294 CB ALA A 36 31.675 35.569 10.001 1.00 77.38 C
295
+ ATOM 295 N ALA A 36 29.458 35.719 11.042 1.00 80.53 N
296
+ ATOM 296 O ALA A 36 29.801 34.765 8.056 1.00 76.72 O
297
+ ATOM 297 C PRO A 37 29.168 36.248 5.650 1.00 74.10 C
298
+ ATOM 298 CA PRO A 37 28.170 36.595 6.753 1.00 73.18 C
299
+ ATOM 299 CB PRO A 37 27.498 37.942 6.477 1.00 69.71 C
300
+ ATOM 300 CD PRO A 37 28.433 38.077 8.718 1.00 66.09 C
301
+ ATOM 301 CG PRO A 37 27.332 38.570 7.823 1.00 66.81 C
302
+ ATOM 302 N PRO A 37 28.812 36.799 8.054 1.00 74.00 N
303
+ ATOM 303 O PRO A 37 30.201 36.908 5.517 1.00 71.23 O
304
+ ATOM 304 C GLY A 38 30.506 33.560 4.382 1.00 79.75 C
305
+ ATOM 305 CA GLY A 38 29.650 34.736 3.950 1.00 79.03 C
306
+ ATOM 306 N GLY A 38 28.793 35.241 5.010 1.00 79.53 N
307
+ ATOM 307 O GLY A 38 31.083 32.864 3.545 1.00 77.42 O
308
+ ATOM 308 C ASP A 39 30.469 31.134 6.548 1.00 87.27 C
309
+ ATOM 309 CA ASP A 39 31.391 32.325 6.298 1.00 86.30 C
310
+ ATOM 310 CB ASP A 39 32.097 32.726 7.595 1.00 84.31 C
311
+ ATOM 311 CG ASP A 39 33.246 33.694 7.371 1.00 78.54 C
312
+ ATOM 312 N ASP A 39 30.651 33.456 5.747 1.00 86.17 N
313
+ ATOM 313 O ASP A 39 29.248 31.292 6.616 1.00 86.18 O
314
+ ATOM 314 OD1 ASP A 39 33.636 33.917 6.205 1.00 74.56 O
315
+ ATOM 315 OD2 ASP A 39 33.767 34.236 8.369 1.00 75.60 O
316
+ ATOM 316 C PHE A 40 30.648 28.069 8.176 1.00 91.60 C
317
+ ATOM 317 CA PHE A 40 30.241 28.720 6.860 1.00 91.58 C
318
+ ATOM 318 CB PHE A 40 30.451 27.739 5.702 1.00 90.57 C
319
+ ATOM 319 CD1 PHE A 40 28.625 28.223 4.041 1.00 83.91 C
320
+ ATOM 320 CD2 PHE A 40 30.875 28.781 3.454 1.00 84.35 C
321
+ ATOM 321 CE1 PHE A 40 28.181 28.703 2.810 1.00 84.73 C
322
+ ATOM 322 CE2 PHE A 40 30.439 29.262 2.223 1.00 85.17 C
323
+ ATOM 323 CG PHE A 40 29.974 28.258 4.373 1.00 87.87 C
324
+ ATOM 324 CZ PHE A 40 29.092 29.221 1.903 1.00 83.17 C
325
+ ATOM 325 N PHE A 40 30.994 29.948 6.635 1.00 91.13 N
326
+ ATOM 326 O PHE A 40 31.747 28.308 8.680 1.00 90.85 O
327
+ ATOM 327 C SER A 41 29.629 25.094 9.714 1.00 92.76 C
328
+ ATOM 328 CA SER A 41 29.990 26.557 9.942 1.00 92.25 C
329
+ ATOM 329 CB SER A 41 29.183 27.113 11.116 1.00 90.63 C
330
+ ATOM 330 N SER A 41 29.759 27.353 8.740 1.00 92.08 N
331
+ ATOM 331 O SER A 41 28.625 24.789 9.068 1.00 92.31 O
332
+ ATOM 332 OG SER A 41 29.674 28.384 11.508 1.00 75.83 O
333
+ ATOM 333 C LEU A 42 29.707 22.430 11.553 1.00 93.72 C
334
+ ATOM 334 CA LEU A 42 30.180 22.872 10.171 1.00 93.61 C
335
+ ATOM 335 CB LEU A 42 31.445 22.102 9.782 1.00 92.59 C
336
+ ATOM 336 CD1 LEU A 42 30.504 20.021 8.749 1.00 80.16 C
337
+ ATOM 337 CD2 LEU A 42 32.764 19.967 9.838 1.00 80.28 C
338
+ ATOM 338 CG LEU A 42 31.367 20.577 9.876 1.00 87.84 C
339
+ ATOM 339 N LEU A 42 30.427 24.309 10.141 1.00 93.41 N
340
+ ATOM 340 O LEU A 42 30.398 22.651 12.550 1.00 93.13 O
341
+ ATOM 341 C SER A 43 27.970 19.748 12.817 1.00 93.54 C
342
+ ATOM 342 CA SER A 43 28.017 21.270 12.889 1.00 93.61 C
343
+ ATOM 343 CB SER A 43 26.617 21.819 13.163 1.00 92.71 C
344
+ ATOM 344 N SER A 43 28.559 21.841 11.661 1.00 93.32 N
345
+ ATOM 345 O SER A 43 27.446 19.182 11.855 1.00 92.92 O
346
+ ATOM 346 OG SER A 43 26.646 23.230 13.295 1.00 87.21 O
347
+ ATOM 347 C VAL A 44 28.220 17.076 15.106 1.00 93.43 C
348
+ ATOM 348 CA VAL A 44 28.560 17.665 13.739 1.00 93.73 C
349
+ ATOM 349 CB VAL A 44 29.964 17.199 13.291 1.00 92.75 C
350
+ ATOM 350 CG1 VAL A 44 31.033 17.698 14.261 1.00 85.70 C
351
+ ATOM 351 CG2 VAL A 44 30.008 15.675 13.180 1.00 85.40 C
352
+ ATOM 352 N VAL A 44 28.471 19.120 13.791 1.00 93.61 N
353
+ ATOM 353 O VAL A 44 28.636 17.609 16.138 1.00 92.41 O
354
+ ATOM 354 C LYS A 45 28.181 14.278 16.785 1.00 91.96 C
355
+ ATOM 355 CA LYS A 45 27.095 15.256 16.344 1.00 92.81 C
356
+ ATOM 356 CB LYS A 45 25.777 14.511 16.124 1.00 91.48 C
357
+ ATOM 357 CD LYS A 45 23.994 12.996 17.050 1.00 84.11 C
358
+ ATOM 358 CE LYS A 45 23.523 12.198 18.258 1.00 80.72 C
359
+ ATOM 359 CG LYS A 45 25.312 13.708 17.328 1.00 86.18 C
360
+ ATOM 360 N LYS A 45 27.490 15.968 15.133 1.00 92.83 N
361
+ ATOM 361 NZ LYS A 45 24.272 10.913 18.400 1.00 72.91 N
362
+ ATOM 362 O LYS A 45 28.678 13.489 15.978 1.00 90.31 O
363
+ ATOM 363 C PHE A 46 28.867 13.071 20.050 1.00 89.40 C
364
+ ATOM 364 CA PHE A 46 29.363 13.404 18.648 1.00 90.11 C
365
+ ATOM 365 CB PHE A 46 30.811 13.901 18.707 1.00 88.42 C
366
+ ATOM 366 CD1 PHE A 46 32.119 11.780 18.357 1.00 76.75 C
367
+ ATOM 367 CD2 PHE A 46 32.384 12.954 20.424 1.00 76.55 C
368
+ ATOM 368 CE1 PHE A 46 33.027 10.813 18.784 1.00 76.92 C
369
+ ATOM 369 CE2 PHE A 46 33.292 11.992 20.857 1.00 77.10 C
370
+ ATOM 370 CG PHE A 46 31.791 12.857 19.171 1.00 82.76 C
371
+ ATOM 371 CZ PHE A 46 33.611 10.922 20.037 1.00 74.41 C
372
+ ATOM 372 N PHE A 46 28.504 14.401 18.018 1.00 90.28 N
373
+ ATOM 373 O PHE A 46 28.902 13.918 20.944 1.00 87.35 O
374
+ ATOM 374 C GLY A 47 26.468 12.226 21.659 1.00 87.11 C
375
+ ATOM 375 CA GLY A 47 27.762 11.459 21.457 1.00 87.43 C
376
+ ATOM 376 N GLY A 47 28.446 11.806 20.222 1.00 87.96 N
377
+ ATOM 377 O GLY A 47 25.613 12.253 20.771 1.00 84.33 O
378
+ ATOM 378 C ASN A 48 25.469 15.206 22.900 1.00 86.05 C
379
+ ATOM 379 CA ASN A 48 25.221 13.721 23.156 1.00 86.19 C
380
+ ATOM 380 CB ASN A 48 24.770 13.499 24.601 1.00 83.18 C
381
+ ATOM 381 CG ASN A 48 24.218 12.107 24.833 1.00 76.27 C
382
+ ATOM 382 N ASN A 48 26.405 12.922 22.859 1.00 86.15 N
383
+ ATOM 383 ND2 ASN A 48 24.364 11.607 26.055 1.00 70.62 N
384
+ ATOM 384 O ASN A 48 24.668 16.052 23.302 1.00 83.70 O
385
+ ATOM 385 OD1 ASN A 48 23.666 11.486 23.922 1.00 71.32 O
386
+ ATOM 386 C ASP A 49 27.035 17.105 20.539 1.00 90.49 C
387
+ ATOM 387 CA ASP A 49 26.944 16.776 22.027 1.00 89.54 C
388
+ ATOM 388 CB ASP A 49 28.269 17.102 22.721 1.00 86.63 C
389
+ ATOM 389 CG ASP A 49 28.326 18.523 23.252 1.00 74.59 C
390
+ ATOM 390 N ASP A 49 26.588 15.375 22.235 1.00 89.73 N
391
+ ATOM 391 O ASP A 49 27.242 16.214 19.713 1.00 89.74 O
392
+ ATOM 392 OD1 ASP A 49 27.470 19.351 22.873 1.00 66.15 O
393
+ ATOM 393 OD2 ASP A 49 29.237 18.819 24.054 1.00 70.27 O
394
+ ATOM 394 C VAL A 50 28.192 19.818 18.881 1.00 91.74 C
395
+ ATOM 395 CA VAL A 50 27.001 18.864 18.866 1.00 92.37 C
396
+ ATOM 396 CB VAL A 50 25.745 19.586 18.331 1.00 91.48 C
397
+ ATOM 397 CG1 VAL A 50 26.011 20.181 16.949 1.00 87.90 C
398
+ ATOM 398 CG2 VAL A 50 24.557 18.628 18.285 1.00 87.15 C
399
+ ATOM 399 N VAL A 50 26.782 18.326 20.205 1.00 92.10 N
400
+ ATOM 400 O VAL A 50 28.253 20.732 19.706 1.00 90.25 O
401
+ ATOM 401 C GLN A 51 30.191 21.335 16.694 1.00 91.62 C
402
+ ATOM 402 CA GLN A 51 30.266 20.465 17.945 1.00 91.22 C
403
+ ATOM 403 CB GLN A 51 31.544 19.624 17.925 1.00 89.25 C
404
+ ATOM 404 CD GLN A 51 33.170 18.204 19.246 1.00 75.63 C
405
+ ATOM 405 CG GLN A 51 31.815 18.886 19.229 1.00 79.22 C
406
+ ATOM 406 N GLN A 51 29.091 19.607 18.062 1.00 91.35 N
407
+ ATOM 407 NE2 GLN A 51 33.416 17.399 20.273 1.00 67.14 N
408
+ ATOM 408 O GLN A 51 29.701 20.892 15.652 1.00 90.86 O
409
+ ATOM 409 OE1 GLN A 51 33.989 18.397 18.341 1.00 71.12 O
410
+ ATOM 410 C HIS A 52 32.129 23.858 15.306 1.00 90.67 C
411
+ ATOM 411 CA HIS A 52 30.717 23.454 15.718 1.00 91.28 C
412
+ ATOM 412 CB HIS A 52 29.916 24.690 16.128 1.00 90.10 C
413
+ ATOM 413 CD2 HIS A 52 28.086 24.238 17.911 1.00 82.57 C
414
+ ATOM 414 CE1 HIS A 52 26.401 23.900 16.550 1.00 83.70 C
415
+ ATOM 415 CG HIS A 52 28.548 24.375 16.646 1.00 87.07 C
416
+ ATOM 416 N HIS A 52 30.743 22.480 16.802 1.00 91.02 N
417
+ ATOM 417 ND1 HIS A 52 27.470 24.157 15.814 1.00 82.53 N
418
+ ATOM 418 NE2 HIS A 52 26.748 23.944 17.824 1.00 84.40 N
419
+ ATOM 419 O HIS A 52 32.967 24.158 16.159 1.00 89.29 O
420
+ ATOM 420 C PHE A 53 33.479 25.287 12.465 1.00 90.99 C
421
+ ATOM 421 CA PHE A 53 33.657 24.177 13.493 1.00 91.34 C
422
+ ATOM 422 CB PHE A 53 34.361 22.976 12.852 1.00 90.71 C
423
+ ATOM 423 CD1 PHE A 53 35.820 21.785 14.521 1.00 86.82 C
424
+ ATOM 424 CD2 PHE A 53 33.684 20.845 14.000 1.00 86.75 C
425
+ ATOM 425 CE1 PHE A 53 36.068 20.740 15.408 1.00 86.08 C
426
+ ATOM 426 CE2 PHE A 53 33.925 19.798 14.884 1.00 86.44 C
427
+ ATOM 427 CG PHE A 53 34.627 21.846 13.810 1.00 89.20 C
428
+ ATOM 428 CZ PHE A 53 35.118 19.746 15.587 1.00 84.39 C
429
+ ATOM 429 N PHE A 53 32.371 23.778 14.053 1.00 91.40 N
430
+ ATOM 430 O PHE A 53 32.652 25.174 11.558 1.00 89.95 O
431
+ ATOM 431 C LYS A 54 34.996 26.880 10.318 1.00 90.94 C
432
+ ATOM 432 CA LYS A 54 34.277 27.362 11.574 1.00 90.48 C
433
+ ATOM 433 CB LYS A 54 34.937 28.639 12.099 1.00 88.42 C
434
+ ATOM 434 CD LYS A 54 35.343 31.106 11.808 1.00 76.21 C
435
+ ATOM 435 CE LYS A 54 35.160 32.313 10.898 1.00 67.60 C
436
+ ATOM 436 CG LYS A 54 34.789 29.837 11.173 1.00 79.63 C
437
+ ATOM 437 N LYS A 54 34.269 26.329 12.606 1.00 90.49 N
438
+ ATOM 438 NZ LYS A 54 35.659 33.568 11.537 1.00 59.61 N
439
+ ATOM 439 O LYS A 54 36.117 26.371 10.395 1.00 90.14 O
440
+ ATOM 440 C VAL A 55 35.600 27.964 7.371 1.00 91.20 C
441
+ ATOM 441 CA VAL A 55 34.922 26.695 7.883 1.00 92.29 C
442
+ ATOM 442 CB VAL A 55 33.912 26.171 6.838 1.00 91.51 C
443
+ ATOM 443 CG1 VAL A 55 34.609 25.881 5.510 1.00 89.10 C
444
+ ATOM 444 CG2 VAL A 55 33.205 24.921 7.359 1.00 88.63 C
445
+ ATOM 445 N VAL A 55 34.278 26.962 9.165 1.00 92.33 N
446
+ ATOM 446 O VAL A 55 34.934 28.965 7.101 1.00 89.30 O
447
+ ATOM 447 C LEU A 56 37.928 29.077 5.407 1.00 89.85 C
448
+ ATOM 448 CA LEU A 56 37.670 29.090 6.909 1.00 89.75 C
449
+ ATOM 449 CB LEU A 56 39.001 29.123 7.667 1.00 87.82 C
450
+ ATOM 450 CD1 LEU A 56 40.287 28.997 9.815 1.00 74.24 C
451
+ ATOM 451 CD2 LEU A 56 38.312 30.534 9.626 1.00 74.35 C
452
+ ATOM 452 CG LEU A 56 38.910 29.200 9.191 1.00 80.73 C
453
+ ATOM 453 N LEU A 56 36.883 27.929 7.310 1.00 89.86 N
454
+ ATOM 454 O LEU A 56 37.869 28.023 4.770 1.00 88.68 O
455
+ ATOM 455 C ARG A 57 39.885 31.240 3.321 1.00 89.88 C
456
+ ATOM 456 CA ARG A 57 38.586 30.448 3.421 1.00 89.91 C
457
+ ATOM 457 CB ARG A 57 37.478 31.159 2.641 1.00 87.21 C
458
+ ATOM 458 CD ARG A 57 35.303 30.962 1.386 1.00 76.32 C
459
+ ATOM 459 CG ARG A 57 36.278 30.278 2.335 1.00 78.44 C
460
+ ATOM 460 CZ ARG A 57 33.510 32.653 1.592 1.00 67.60 C
461
+ ATOM 461 N ARG A 57 38.194 30.260 4.813 1.00 90.05 N
462
+ ATOM 462 NE ARG A 57 34.638 32.096 2.023 1.00 70.61 N
463
+ ATOM 463 NH1 ARG A 57 32.896 32.189 0.510 1.00 57.77 N
464
+ ATOM 464 NH2 ARG A 57 32.992 33.682 2.247 1.00 54.38 N
465
+ ATOM 465 O ARG A 57 40.041 32.274 3.975 1.00 88.42 O
466
+ ATOM 466 C ASP A 58 41.976 32.476 1.251 1.00 87.98 C
467
+ ATOM 467 CA ASP A 58 42.030 31.475 2.403 1.00 88.68 C
468
+ ATOM 468 CB ASP A 58 43.204 30.513 2.209 1.00 87.61 C
469
+ ATOM 469 CG ASP A 58 43.192 29.827 0.855 1.00 86.63 C
470
+ ATOM 470 N ASP A 58 40.777 30.736 2.516 1.00 88.86 N
471
+ ATOM 471 O ASP A 58 40.942 32.618 0.594 1.00 85.79 O
472
+ ATOM 472 OD1 ASP A 58 42.290 30.110 0.036 1.00 86.22 O
473
+ ATOM 473 OD2 ASP A 58 44.090 28.995 0.604 1.00 84.28 O
474
+ ATOM 474 C GLY A 59 42.790 33.809 -1.414 1.00 88.20 C
475
+ ATOM 475 CA GLY A 59 43.134 34.276 -0.012 1.00 88.14 C
476
+ ATOM 476 N GLY A 59 43.079 33.210 0.975 1.00 88.02 N
477
+ ATOM 477 O GLY A 59 42.368 34.606 -2.254 1.00 86.66 O
478
+ ATOM 478 C ALA A 60 41.233 31.462 -3.014 1.00 88.01 C
479
+ ATOM 479 CA ALA A 60 42.670 31.965 -2.933 1.00 89.28 C
480
+ ATOM 480 CB ALA A 60 43.645 30.840 -3.273 1.00 87.16 C
481
+ ATOM 481 N ALA A 60 42.963 32.510 -1.609 1.00 89.81 N
482
+ ATOM 482 O ALA A 60 40.795 30.978 -4.061 1.00 85.47 O
483
+ ATOM 483 C GLY A 61 38.989 29.649 -1.486 1.00 90.19 C
484
+ ATOM 484 CA GLY A 61 39.164 31.102 -1.880 1.00 89.82 C
485
+ ATOM 485 N GLY A 61 40.556 31.521 -1.917 1.00 89.45 N
486
+ ATOM 486 O GLY A 61 37.901 29.087 -1.635 1.00 88.67 O
487
+ ATOM 487 C LYS A 62 39.421 27.431 0.755 1.00 92.77 C
488
+ ATOM 488 CA LYS A 62 39.976 27.612 -0.656 1.00 92.97 C
489
+ ATOM 489 CB LYS A 62 41.356 26.961 -0.764 1.00 91.91 C
490
+ ATOM 490 CD LYS A 62 43.236 26.173 -2.240 1.00 84.90 C
491
+ ATOM 491 CE LYS A 62 43.779 26.111 -3.661 1.00 81.99 C
492
+ ATOM 492 CG LYS A 62 41.920 26.938 -2.177 1.00 87.54 C
493
+ ATOM 493 N LYS A 62 40.047 29.026 -1.015 1.00 92.57 N
494
+ ATOM 494 NZ LYS A 62 45.089 25.395 -3.723 1.00 78.23 N
495
+ ATOM 495 O LYS A 62 39.678 28.251 1.639 1.00 91.95 O
496
+ ATOM 496 C TYR A 63 38.892 25.116 3.073 1.00 91.98 C
497
+ ATOM 497 CA TYR A 63 38.049 26.035 2.197 1.00 92.18 C
498
+ ATOM 498 CB TYR A 63 36.679 25.399 1.939 1.00 91.30 C
499
+ ATOM 499 CD1 TYR A 63 34.937 27.221 1.774 1.00 87.64 C
500
+ ATOM 500 CD2 TYR A 63 35.663 26.162 -0.241 1.00 87.81 C
501
+ ATOM 501 CE1 TYR A 63 34.072 28.029 1.045 1.00 88.99 C
502
+ ATOM 502 CE2 TYR A 63 34.802 26.965 -0.980 1.00 88.61 C
503
+ ATOM 503 CG TYR A 63 35.743 26.276 1.143 1.00 90.02 C
504
+ ATOM 504 CZ TYR A 63 34.011 27.895 -0.330 1.00 87.78 C
505
+ ATOM 505 N TYR A 63 38.726 26.320 0.937 1.00 91.31 N
506
+ ATOM 506 O TYR A 63 39.559 24.209 2.570 1.00 91.20 O
507
+ ATOM 507 OH TYR A 63 33.157 28.693 -1.056 1.00 84.29 O
508
+ ATOM 508 C PHE A 64 39.102 24.585 6.622 1.00 90.65 C
509
+ ATOM 509 CA PHE A 64 39.586 24.458 5.183 1.00 91.25 C
510
+ ATOM 510 CB PHE A 64 41.092 24.727 5.111 1.00 90.21 C
511
+ ATOM 511 CD1 PHE A 64 41.365 27.191 4.679 1.00 85.67 C
512
+ ATOM 512 CD2 PHE A 64 41.966 26.338 6.830 1.00 85.88 C
513
+ ATOM 513 CE1 PHE A 64 41.727 28.474 5.082 1.00 86.04 C
514
+ ATOM 514 CE2 PHE A 64 42.329 27.618 7.240 1.00 85.66 C
515
+ ATOM 515 CG PHE A 64 41.483 26.113 5.548 1.00 88.48 C
516
+ ATOM 516 CZ PHE A 64 42.209 28.684 6.364 1.00 84.06 C
517
+ ATOM 517 N PHE A 64 38.859 25.371 4.309 1.00 90.89 N
518
+ ATOM 518 O PHE A 64 38.500 25.596 6.993 1.00 89.30 O
519
+ ATOM 519 C LEU A 65 40.435 23.533 9.569 1.00 87.96 C
520
+ ATOM 520 CA LEU A 65 39.115 23.438 8.811 1.00 89.95 C
521
+ ATOM 521 CB LEU A 65 38.379 22.154 9.203 1.00 88.64 C
522
+ ATOM 522 CD1 LEU A 65 36.414 20.614 8.979 1.00 80.93 C
523
+ ATOM 523 CD2 LEU A 65 36.047 23.067 9.359 1.00 81.38 C
524
+ ATOM 524 CG LEU A 65 36.939 22.019 8.704 1.00 85.73 C
525
+ ATOM 525 N LEU A 65 39.339 23.480 7.370 1.00 89.97 N
526
+ ATOM 526 O LEU A 65 40.494 24.126 10.648 1.00 85.21 O
527
+ ATOM 527 C TRP A 66 43.771 23.112 8.458 1.00 86.87 C
528
+ ATOM 528 CA TRP A 66 42.753 22.822 9.556 1.00 88.42 C
529
+ ATOM 529 CB TRP A 66 43.046 21.461 10.195 1.00 85.43 C
530
+ ATOM 530 CD1 TRP A 66 41.036 20.053 10.941 1.00 70.87 C
531
+ ATOM 531 CD2 TRP A 66 41.792 21.478 12.494 1.00 73.13 C
532
+ ATOM 532 CE2 TRP A 66 40.692 20.770 13.028 1.00 70.81 C
533
+ ATOM 533 CE3 TRP A 66 42.436 22.434 13.291 1.00 66.36 C
534
+ ATOM 534 CG TRP A 66 41.994 21.002 11.160 1.00 77.33 C
535
+ ATOM 535 CH2 TRP A 66 40.869 21.930 15.083 1.00 67.79 C
536
+ ATOM 536 CZ2 TRP A 66 40.222 20.990 14.324 1.00 73.69 C
537
+ ATOM 537 CZ3 TRP A 66 41.966 22.649 14.582 1.00 65.93 C
538
+ ATOM 538 N TRP A 66 41.393 22.856 9.027 1.00 88.44 N
539
+ ATOM 539 NE1 TRP A 66 40.249 19.908 12.061 1.00 73.61 N
540
+ ATOM 540 O TRP A 66 43.771 24.198 7.875 1.00 79.75 O
541
+ ATOM 541 C VAL A 67 45.419 22.211 5.829 1.00 86.78 C
542
+ ATOM 542 CA VAL A 67 45.765 22.514 7.285 1.00 86.50 C
543
+ ATOM 543 CB VAL A 67 46.976 21.667 7.734 1.00 83.67 C
544
+ ATOM 544 CG1 VAL A 67 48.147 21.844 6.767 1.00 77.22 C
545
+ ATOM 545 CG2 VAL A 67 47.393 22.041 9.155 1.00 74.91 C
546
+ ATOM 546 N VAL A 67 44.600 22.274 8.130 1.00 85.77 N
547
+ ATOM 547 O VAL A 67 45.809 22.952 4.925 1.00 85.43 O
548
+ ATOM 548 C VAL A 68 43.293 21.743 3.612 1.00 91.47 C
549
+ ATOM 549 CA VAL A 68 44.363 20.850 4.238 1.00 91.37 C
550
+ ATOM 550 CB VAL A 68 43.902 19.375 4.221 1.00 89.60 C
551
+ ATOM 551 CG1 VAL A 68 43.690 18.893 2.787 1.00 83.76 C
552
+ ATOM 552 CG2 VAL A 68 44.920 18.491 4.940 1.00 82.45 C
553
+ ATOM 553 N VAL A 68 44.653 21.305 5.594 1.00 90.25 N
554
+ ATOM 554 O VAL A 68 42.216 21.926 4.183 1.00 90.79 O
555
+ ATOM 555 C LYS A 69 42.012 22.569 0.577 1.00 92.21 C
556
+ ATOM 556 CA LYS A 69 42.705 23.189 1.786 1.00 92.38 C
557
+ ATOM 557 CB LYS A 69 43.489 24.431 1.361 1.00 90.53 C
558
+ ATOM 558 CD LYS A 69 45.050 26.292 2.021 1.00 81.09 C
559
+ ATOM 559 CE LYS A 69 45.771 26.980 3.172 1.00 79.16 C
560
+ ATOM 560 CG LYS A 69 44.134 25.181 2.518 1.00 84.27 C
561
+ ATOM 561 N LYS A 69 43.586 22.225 2.439 1.00 91.56 N
562
+ ATOM 562 NZ LYS A 69 46.910 27.819 2.690 1.00 72.34 N
563
+ ATOM 563 O LYS A 69 42.603 21.751 -0.132 1.00 91.13 O
564
+ ATOM 564 C PHE A 70 39.342 23.549 -1.559 1.00 92.44 C
565
+ ATOM 565 CA PHE A 70 39.983 22.473 -0.691 1.00 93.06 C
566
+ ATOM 566 CB PHE A 70 38.902 21.573 -0.086 1.00 92.60 C
567
+ ATOM 567 CD1 PHE A 70 39.865 19.280 0.295 1.00 90.08 C
568
+ ATOM 568 CD2 PHE A 70 39.527 20.703 2.187 1.00 90.06 C
569
+ ATOM 569 CE1 PHE A 70 40.366 18.282 1.129 1.00 90.62 C
570
+ ATOM 570 CE2 PHE A 70 40.027 19.710 3.027 1.00 90.51 C
571
+ ATOM 571 CG PHE A 70 39.442 20.497 0.816 1.00 91.97 C
572
+ ATOM 572 CZ PHE A 70 40.445 18.501 2.495 1.00 89.43 C
573
+ ATOM 573 N PHE A 70 40.798 23.073 0.360 1.00 92.35 N
574
+ ATOM 574 O PHE A 70 39.033 24.641 -1.077 1.00 91.52 O
575
+ ATOM 575 C ASN A 71 36.983 24.288 -3.532 1.00 91.42 C
576
+ ATOM 576 CA ASN A 71 38.482 24.110 -3.752 1.00 92.32 C
577
+ ATOM 577 CB ASN A 71 38.760 23.669 -5.191 1.00 90.97 C
578
+ ATOM 578 CG ASN A 71 40.230 23.755 -5.555 1.00 86.46 C
579
+ ATOM 579 N ASN A 71 39.054 23.158 -2.805 1.00 92.31 N
580
+ ATOM 580 ND2 ASN A 71 40.759 22.685 -6.135 1.00 83.48 N
581
+ ATOM 581 O ASN A 71 36.386 25.241 -4.038 1.00 89.38 O
582
+ ATOM 582 OD1 ASN A 71 40.882 24.775 -5.316 1.00 82.03 O
583
+ ATOM 583 C SER A 72 34.543 22.818 -1.335 1.00 91.96 C
584
+ ATOM 584 CA SER A 72 34.936 23.424 -2.678 1.00 91.49 C
585
+ ATOM 585 CB SER A 72 34.211 22.693 -3.808 1.00 90.35 C
586
+ ATOM 586 N SER A 72 36.380 23.375 -2.879 1.00 91.06 N
587
+ ATOM 587 O SER A 72 35.301 22.036 -0.757 1.00 91.48 O
588
+ ATOM 588 OG SER A 72 34.434 21.296 -3.728 1.00 86.17 O
589
+ ATOM 589 C LEU A 73 32.657 21.090 0.180 1.00 92.19 C
590
+ ATOM 590 CA LEU A 73 32.841 22.593 0.354 1.00 91.98 C
591
+ ATOM 591 CB LEU A 73 31.503 23.244 0.714 1.00 90.75 C
592
+ ATOM 592 CD1 LEU A 73 30.154 25.270 1.319 1.00 80.34 C
593
+ ATOM 593 CD2 LEU A 73 32.310 24.796 2.514 1.00 80.62 C
594
+ ATOM 594 CG LEU A 73 31.562 24.697 1.188 1.00 86.24 C
595
+ ATOM 595 N LEU A 73 33.394 23.193 -0.855 1.00 91.44 N
596
+ ATOM 596 O LEU A 73 32.879 20.319 1.117 1.00 91.49 O
597
+ ATOM 597 C ASN A 74 33.395 18.418 -1.122 1.00 92.69 C
598
+ ATOM 598 CA ASN A 74 32.099 19.201 -1.314 1.00 92.34 C
599
+ ATOM 599 CB ASN A 74 31.552 18.984 -2.726 1.00 90.36 C
600
+ ATOM 600 CG ASN A 74 30.919 17.619 -2.905 1.00 78.12 C
601
+ ATOM 601 N ASN A 74 32.288 20.623 -1.051 1.00 92.22 N
602
+ ATOM 602 ND2 ASN A 74 31.465 16.827 -3.819 1.00 66.44 N
603
+ ATOM 603 O ASN A 74 33.386 17.324 -0.555 1.00 92.05 O
604
+ ATOM 604 OD1 ASN A 74 29.945 17.280 -2.227 1.00 67.96 O
605
+ ATOM 605 C GLU A 75 36.084 18.231 0.037 1.00 92.86 C
606
+ ATOM 606 CA GLU A 75 35.706 18.317 -1.440 1.00 92.78 C
607
+ ATOM 607 CB GLU A 75 36.803 19.045 -2.222 1.00 91.72 C
608
+ ATOM 608 CD GLU A 75 37.772 19.631 -4.496 1.00 83.83 C
609
+ ATOM 609 CG GLU A 75 36.710 18.860 -3.729 1.00 87.00 C
610
+ ATOM 610 N GLU A 75 34.420 18.984 -1.617 1.00 92.45 N
611
+ ATOM 611 O GLU A 75 36.621 17.217 0.487 1.00 92.17 O
612
+ ATOM 612 OE1 GLU A 75 38.630 20.280 -3.855 1.00 83.28 O
613
+ ATOM 613 OE2 GLU A 75 37.745 19.585 -5.746 1.00 82.72 O
614
+ ATOM 614 C LEU A 76 35.297 18.220 2.890 1.00 93.57 C
615
+ ATOM 615 CA LEU A 76 36.083 19.312 2.173 1.00 93.48 C
616
+ ATOM 616 CB LEU A 76 35.730 20.682 2.759 1.00 92.19 C
617
+ ATOM 617 CD1 LEU A 76 36.441 22.290 4.545 1.00 77.43 C
618
+ ATOM 618 CD2 LEU A 76 34.732 20.525 5.057 1.00 77.75 C
619
+ ATOM 619 CG LEU A 76 35.985 20.864 4.256 1.00 85.66 C
620
+ ATOM 620 N LEU A 76 35.819 19.287 0.738 1.00 93.07 N
621
+ ATOM 621 O LEU A 76 35.859 17.463 3.683 1.00 92.88 O
622
+ ATOM 622 C VAL A 77 33.573 15.728 2.851 1.00 93.35 C
623
+ ATOM 623 CA VAL A 77 33.115 17.139 3.209 1.00 93.78 C
624
+ ATOM 624 CB VAL A 77 31.648 17.351 2.773 1.00 92.82 C
625
+ ATOM 625 CG1 VAL A 77 30.802 16.126 3.115 1.00 88.45 C
626
+ ATOM 626 CG2 VAL A 77 31.072 18.603 3.431 1.00 87.46 C
627
+ ATOM 627 N VAL A 77 34.004 18.119 2.592 1.00 93.45 N
628
+ ATOM 628 O VAL A 77 33.662 14.858 3.721 1.00 92.29 O
629
+ ATOM 629 C ASP A 78 35.565 13.732 1.844 1.00 93.08 C
630
+ ATOM 630 CA ASP A 78 34.289 14.172 1.128 1.00 93.11 C
631
+ ATOM 631 CB ASP A 78 34.503 14.151 -0.387 1.00 91.65 C
632
+ ATOM 632 CG ASP A 78 33.202 14.150 -1.170 1.00 84.18 C
633
+ ATOM 633 N ASP A 78 33.872 15.499 1.568 1.00 93.11 N
634
+ ATOM 634 O ASP A 78 35.685 12.576 2.254 1.00 92.21 O
635
+ ATOM 635 OD1 ASP A 78 32.134 13.882 -0.578 1.00 78.12 O
636
+ ATOM 636 OD2 ASP A 78 33.245 14.419 -2.389 1.00 81.61 O
637
+ ATOM 637 C TYR A 79 37.454 13.963 4.096 1.00 93.07 C
638
+ ATOM 638 CA TYR A 79 37.722 14.385 2.657 1.00 93.58 C
639
+ ATOM 639 CB TYR A 79 38.647 15.607 2.635 1.00 93.07 C
640
+ ATOM 640 CD1 TYR A 79 41.002 14.702 2.768 1.00 89.26 C
641
+ ATOM 641 CD2 TYR A 79 40.134 15.882 4.654 1.00 89.09 C
642
+ ATOM 642 CE1 TYR A 79 42.205 14.502 3.437 1.00 89.39 C
643
+ ATOM 643 CE2 TYR A 79 41.332 15.687 5.334 1.00 89.56 C
644
+ ATOM 644 CG TYR A 79 39.951 15.394 3.366 1.00 91.64 C
645
+ ATOM 645 CZ TYR A 79 42.360 14.997 4.718 1.00 87.94 C
646
+ ATOM 646 N TYR A 79 36.476 14.675 1.957 1.00 93.27 N
647
+ ATOM 647 O TYR A 79 38.034 12.989 4.582 1.00 92.03 O
648
+ ATOM 648 OH TYR A 79 43.548 14.802 5.386 1.00 84.42 O
649
+ ATOM 649 C HIS A 80 35.322 13.202 6.429 1.00 92.09 C
650
+ ATOM 650 CA HIS A 80 36.335 14.318 6.196 1.00 92.60 C
651
+ ATOM 651 CB HIS A 80 35.866 15.604 6.878 1.00 91.38 C
652
+ ATOM 652 CD2 HIS A 80 37.187 17.823 6.635 1.00 82.95 C
653
+ ATOM 653 CE1 HIS A 80 38.826 17.364 8.016 1.00 83.59 C
654
+ ATOM 654 CG HIS A 80 36.967 16.584 7.133 1.00 88.40 C
655
+ ATOM 655 N HIS A 80 36.551 14.544 4.772 1.00 92.21 N
656
+ ATOM 656 ND1 HIS A 80 38.010 16.323 7.994 1.00 80.47 N
657
+ ATOM 657 NE2 HIS A 80 38.348 18.288 7.199 1.00 84.64 N
658
+ ATOM 658 O HIS A 80 34.922 12.948 7.568 1.00 90.05 O
659
+ ATOM 659 C ARG A 81 35.153 10.152 5.782 1.00 91.07 C
660
+ ATOM 660 CA ARG A 81 34.202 11.292 5.430 1.00 92.17 C
661
+ ATOM 661 CB ARG A 81 33.448 10.964 4.140 1.00 90.89 C
662
+ ATOM 662 CD ARG A 81 31.495 11.461 2.628 1.00 84.58 C
663
+ ATOM 663 CG ARG A 81 32.288 11.905 3.849 1.00 87.06 C
664
+ ATOM 664 CZ ARG A 81 29.196 12.313 2.950 1.00 79.85 C
665
+ ATOM 665 N ARG A 81 34.925 12.553 5.296 1.00 92.03 N
666
+ ATOM 666 NE ARG A 81 30.383 12.365 2.351 1.00 82.81 N
667
+ ATOM 667 NH1 ARG A 81 28.943 11.393 3.875 1.00 70.49 N
668
+ ATOM 668 NH2 ARG A 81 28.253 13.184 2.621 1.00 68.26 N
669
+ ATOM 669 O ARG A 81 34.739 9.151 6.373 1.00 89.08 O
670
+ ATOM 670 C SER A 82 38.496 9.862 6.678 1.00 90.12 C
671
+ ATOM 671 CA SER A 82 37.378 9.352 5.775 1.00 91.63 C
672
+ ATOM 672 CB SER A 82 37.970 8.799 4.478 1.00 89.19 C
673
+ ATOM 673 N SER A 82 36.408 10.404 5.488 1.00 91.96 N
674
+ ATOM 674 O SER A 82 39.356 9.089 7.106 1.00 87.10 O
675
+ ATOM 675 OG SER A 82 38.700 9.801 3.792 1.00 73.16 O
676
+ ATOM 676 C THR A 83 38.755 12.545 8.948 1.00 89.64 C
677
+ ATOM 677 CA THR A 83 39.486 11.806 7.831 1.00 90.15 C
678
+ ATOM 678 CB THR A 83 40.427 12.779 7.098 1.00 87.80 C
679
+ ATOM 679 CG2 THR A 83 41.492 13.330 8.041 1.00 73.04 C
680
+ ATOM 680 N THR A 83 38.536 11.193 6.909 1.00 89.95 N
681
+ ATOM 681 O THR A 83 37.789 13.267 8.694 1.00 87.89 O
682
+ ATOM 682 OG1 THR A 83 41.070 12.091 6.018 1.00 73.06 O
683
+ ATOM 683 C SER A 84 38.502 14.608 11.227 1.00 87.89 C
684
+ ATOM 684 CA SER A 84 38.550 13.087 11.324 1.00 88.52 C
685
+ ATOM 685 CB SER A 84 39.246 12.673 12.622 1.00 86.16 C
686
+ ATOM 686 N SER A 84 39.229 12.504 10.171 1.00 87.72 N
687
+ ATOM 687 O SER A 84 39.484 15.242 10.832 1.00 85.96 O
688
+ ATOM 688 OG SER A 84 38.589 13.234 13.746 1.00 76.92 O
689
+ ATOM 689 C VAL A 85 37.854 17.232 12.937 1.00 79.30 C
690
+ ATOM 690 CA VAL A 85 37.232 16.654 11.669 1.00 86.17 C
691
+ ATOM 691 CB VAL A 85 35.737 17.038 11.585 1.00 80.84 C
692
+ ATOM 692 CG1 VAL A 85 35.147 16.620 10.239 1.00 61.53 C
693
+ ATOM 693 CG2 VAL A 85 34.958 16.401 12.734 1.00 60.39 C
694
+ ATOM 694 N VAL A 85 37.416 15.206 11.644 1.00 84.72 N
695
+ ATOM 695 O VAL A 85 38.136 18.431 13.007 1.00 73.40 O
696
+ ATOM 696 C SER A 86 39.864 16.240 15.463 1.00 82.78 C
697
+ ATOM 697 CA SER A 86 38.465 16.803 15.233 1.00 84.96 C
698
+ ATOM 698 CB SER A 86 37.537 16.363 16.366 1.00 81.94 C
699
+ ATOM 699 N SER A 86 37.931 16.385 13.942 1.00 84.61 N
700
+ ATOM 700 O SER A 86 40.182 15.146 14.993 1.00 79.53 O
701
+ ATOM 701 OG SER A 86 38.108 16.661 17.629 1.00 68.66 O
702
+ ATOM 702 C ARG A 87 42.072 15.484 17.588 1.00 77.01 C
703
+ ATOM 703 CA ARG A 87 42.064 16.450 16.408 1.00 77.87 C
704
+ ATOM 704 CB ARG A 87 42.983 17.638 16.697 1.00 74.71 C
705
+ ATOM 705 CD ARG A 87 44.307 19.580 15.791 1.00 66.35 C
706
+ ATOM 706 CG ARG A 87 43.294 18.489 15.476 1.00 68.17 C
707
+ ATOM 707 CZ ARG A 87 45.511 21.370 14.583 1.00 60.38 C
708
+ ATOM 708 N ARG A 87 40.709 16.909 16.116 1.00 78.34 N
709
+ ATOM 709 NE ARG A 87 44.635 20.370 14.608 1.00 57.09 N
710
+ ATOM 710 NH1 ARG A 87 46.168 21.724 15.681 1.00 45.21 N
711
+ ATOM 711 NH2 ARG A 87 45.733 22.022 13.451 1.00 41.06 N
712
+ ATOM 712 O ARG A 87 42.921 14.592 17.660 1.00 74.31 O
713
+ ATOM 713 C ASN A 88 40.129 13.913 19.732 1.00 75.30 C
714
+ ATOM 714 CA ASN A 88 41.136 15.060 19.686 1.00 77.87 C
715
+ ATOM 715 CB ASN A 88 40.907 16.014 20.860 1.00 72.60 C
716
+ ATOM 716 CG ASN A 88 41.956 17.106 20.937 1.00 64.82 C
717
+ ATOM 717 N ASN A 88 41.071 15.781 18.419 1.00 77.52 N
718
+ ATOM 718 ND2 ASN A 88 41.562 18.273 21.435 1.00 58.50 N
719
+ ATOM 719 O ASN A 88 40.107 13.138 20.689 1.00 70.51 O
720
+ ATOM 720 OD1 ASN A 88 43.110 16.904 20.550 1.00 60.64 O
721
+ ATOM 721 C GLN A 89 38.220 12.250 17.258 1.00 80.28 C
722
+ ATOM 722 CA GLN A 89 38.363 12.786 18.680 1.00 80.60 C
723
+ ATOM 723 CB GLN A 89 37.027 13.349 19.166 1.00 75.99 C
724
+ ATOM 724 CD GLN A 89 35.731 14.413 21.063 1.00 66.55 C
725
+ ATOM 725 CG GLN A 89 37.020 13.734 20.639 1.00 68.24 C
726
+ ATOM 726 N GLN A 89 39.405 13.804 18.755 1.00 78.99 N
727
+ ATOM 727 NE2 GLN A 89 35.281 14.121 22.280 1.00 59.63 N
728
+ ATOM 728 O GLN A 89 38.499 12.960 16.290 1.00 77.75 O
729
+ ATOM 729 OE1 GLN A 89 35.144 15.190 20.305 1.00 67.68 O
730
+ ATOM 730 C GLN A 90 36.192 10.728 15.416 1.00 78.43 C
731
+ ATOM 731 CA GLN A 90 37.630 10.480 15.862 1.00 81.84 C
732
+ ATOM 732 CB GLN A 90 37.920 8.977 15.881 1.00 71.41 C
733
+ ATOM 733 CD GLN A 90 40.234 9.010 14.854 1.00 59.87 C
734
+ ATOM 734 CG GLN A 90 39.394 8.639 16.062 1.00 59.16 C
735
+ ATOM 735 N GLN A 90 37.883 11.068 17.173 1.00 78.04 N
736
+ ATOM 736 NE2 GLN A 90 41.461 9.455 15.100 1.00 49.10 N
737
+ ATOM 737 O GLN A 90 35.295 9.941 15.724 1.00 73.62 O
738
+ ATOM 738 OE1 GLN A 90 39.784 8.895 13.710 1.00 60.89 O
739
+ ATOM 739 C ILE A 91 34.761 12.113 12.727 1.00 85.19 C
740
+ ATOM 740 CA ILE A 91 34.726 12.119 14.253 1.00 86.05 C
741
+ ATOM 741 CB ILE A 91 34.234 13.489 14.772 1.00 82.04 C
742
+ ATOM 742 CD1 ILE A 91 34.019 14.910 16.894 1.00 67.63 C
743
+ ATOM 743 CG1 ILE A 91 34.307 13.537 16.303 1.00 70.13 C
744
+ ATOM 744 CG2 ILE A 91 32.812 13.774 14.282 1.00 68.40 C
745
+ ATOM 745 N ILE A 91 36.047 11.793 14.778 1.00 82.96 N
746
+ ATOM 746 O ILE A 91 35.381 12.983 12.110 1.00 83.16 O
747
+ ATOM 747 C PHE A 92 32.552 11.549 10.206 1.00 86.99 C
748
+ ATOM 748 CA PHE A 92 33.937 11.094 10.647 1.00 88.94 C
749
+ ATOM 749 CB PHE A 92 34.196 9.662 10.167 1.00 84.92 C
750
+ ATOM 750 CD1 PHE A 92 36.696 9.465 9.956 1.00 67.02 C
751
+ ATOM 751 CD2 PHE A 92 35.597 8.220 11.675 1.00 70.03 C
752
+ ATOM 752 CE1 PHE A 92 37.925 8.951 10.362 1.00 72.92 C
753
+ ATOM 753 CE2 PHE A 92 36.822 7.701 12.087 1.00 73.45 C
754
+ ATOM 754 CG PHE A 92 35.523 9.104 10.608 1.00 75.57 C
755
+ ATOM 755 CZ PHE A 92 37.984 8.068 11.428 1.00 73.44 C
756
+ ATOM 756 N PHE A 92 34.075 11.182 12.095 1.00 85.62 N
757
+ ATOM 757 O PHE A 92 31.545 11.150 10.794 1.00 85.11 O
758
+ ATOM 758 C LEU A 93 30.339 11.910 8.091 1.00 89.14 C
759
+ ATOM 759 CA LEU A 93 31.238 12.959 8.736 1.00 91.28 C
760
+ ATOM 760 CB LEU A 93 31.471 14.118 7.765 1.00 90.03 C
761
+ ATOM 761 CD1 LEU A 93 32.334 16.417 7.258 1.00 82.39 C
762
+ ATOM 762 CD2 LEU A 93 31.567 15.849 9.580 1.00 84.11 C
763
+ ATOM 763 CG LEU A 93 32.237 15.322 8.315 1.00 87.77 C
764
+ ATOM 764 N LEU A 93 32.510 12.372 9.146 1.00 90.01 N
765
+ ATOM 765 O LEU A 93 30.790 11.140 7.239 1.00 86.35 O
766
+ ATOM 766 C ARG A 94 26.806 11.783 7.581 1.00 90.45 C
767
+ ATOM 767 CA ARG A 94 28.073 10.989 7.882 1.00 91.44 C
768
+ ATOM 768 CB ARG A 94 27.759 9.850 8.854 1.00 89.12 C
769
+ ATOM 769 CD ARG A 94 28.568 7.801 10.075 1.00 72.11 C
770
+ ATOM 770 CG ARG A 94 28.949 8.953 9.156 1.00 77.06 C
771
+ ATOM 771 CZ ARG A 94 29.672 5.798 11.015 1.00 65.88 C
772
+ ATOM 772 N ARG A 94 29.115 11.855 8.425 1.00 90.92 N
773
+ ATOM 773 NE ARG A 94 29.730 6.996 10.441 1.00 67.92 N
774
+ ATOM 774 NH1 ARG A 94 28.501 5.239 11.301 1.00 47.21 N
775
+ ATOM 775 NH2 ARG A 94 30.792 5.152 11.305 1.00 42.47 N
776
+ ATOM 776 O ARG A 94 26.431 12.678 8.341 1.00 88.62 O
777
+ ATOM 777 C ASP A 95 23.870 11.955 7.228 1.00 90.12 C
778
+ ATOM 778 CA ASP A 95 24.973 12.121 6.186 1.00 90.45 C
779
+ ATOM 779 CB ASP A 95 24.475 11.655 4.815 1.00 88.85 C
780
+ ATOM 780 CG ASP A 95 25.390 12.075 3.678 1.00 83.94 C
781
+ ATOM 781 N ASP A 95 26.174 11.388 6.571 1.00 89.85 N
782
+ ATOM 782 O ASP A 95 23.755 10.900 7.855 1.00 88.50 O
783
+ ATOM 783 OD1 ASP A 95 26.096 13.098 3.809 1.00 80.93 O
784
+ ATOM 784 OD2 ASP A 95 25.403 11.378 2.640 1.00 82.91 O
785
+ ATOM 785 C ILE A 96 20.948 11.999 7.862 1.00 87.56 C
786
+ ATOM 786 CA ILE A 96 22.013 12.953 8.398 1.00 89.80 C
787
+ ATOM 787 CB ILE A 96 21.415 14.363 8.605 1.00 87.47 C
788
+ ATOM 788 CD1 ILE A 96 20.232 16.281 7.386 1.00 68.33 C
789
+ ATOM 789 CG1 ILE A 96 20.980 14.960 7.262 1.00 70.14 C
790
+ ATOM 790 CG2 ILE A 96 22.420 15.277 9.312 1.00 68.24 C
791
+ ATOM 791 N ILE A 96 23.151 12.985 7.485 1.00 89.40 N
792
+ ATOM 792 O ILE A 96 20.819 11.822 6.649 1.00 84.30 O
793
+ ATOM 793 C GLU A 97 17.932 11.264 8.061 1.00 77.96 C
794
+ ATOM 794 CA GLU A 97 19.189 10.435 8.306 1.00 84.17 C
795
+ ATOM 795 CB GLU A 97 18.922 9.379 9.383 1.00 79.19 C
796
+ ATOM 796 CD GLU A 97 19.821 7.401 10.698 1.00 65.63 C
797
+ ATOM 797 CG GLU A 97 20.060 8.386 9.565 1.00 68.43 C
798
+ ATOM 798 N GLU A 97 20.315 11.283 8.687 1.00 83.79 N
799
+ ATOM 799 O GLU A 97 17.601 12.149 8.853 1.00 72.68 O
800
+ ATOM 800 OE1 GLU A 97 18.729 7.433 11.310 1.00 68.59 O
801
+ ATOM 801 OE2 GLU A 97 20.734 6.593 10.979 1.00 64.83 O
802
+ ATOM 802 C GLN A 98 14.929 11.254 7.076 1.00 69.46 C
803
+ ATOM 803 CA GLN A 98 16.174 12.039 6.676 1.00 73.47 C
804
+ ATOM 804 CB GLN A 98 16.117 12.394 5.190 1.00 68.62 C
805
+ ATOM 805 CD GLN A 98 17.079 13.753 3.282 1.00 63.96 C
806
+ ATOM 806 CG GLN A 98 17.163 13.413 4.759 1.00 64.32 C
807
+ ATOM 807 N GLN A 98 17.389 11.289 6.977 1.00 73.38 N
808
+ ATOM 808 NE2 GLN A 98 17.957 14.641 2.828 1.00 51.01 N
809
+ ATOM 809 O GLN A 98 14.913 10.024 6.999 1.00 65.52 O
810
+ ATOM 810 OE1 GLN A 98 16.232 13.222 2.557 1.00 64.36 O
811
+ TER 811 GLN A 98
812
+ END
1bmb/1bmb_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hk3/1hk3_ligand.mol2 ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
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8
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11
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12
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14
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+
1hk3/1hk3_ligand.sdf ADDED
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1
+ 1hk3_ligand
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+ -I-interpret-
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+ 18 35 1 0 0 0
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+ 19 36 1 0 0 0
78
+ M END
79
+ $$$$
1hk3/1hk3_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hk3/1hk3_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jii/1jii_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
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1zhy/1zhy_ligand.sdf ADDED
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+ $$$$
1zhy/1zhy_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1zhy/1zhy_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ama/2ama_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:54 2018
3
+ ###
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+
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The diff for this file is too large to render. See raw diff
 
2byr/2byr_protein_processed_fix.pdb ADDED
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2ph9/2ph9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ph9/2ph9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pwc/2pwc_ligand.mol2 ADDED
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+ $$$$
2pwc/2pwc_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pwc/2pwc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2py4/2py4_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
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+ ###
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+ M END
95
+ $$$$