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THU-ATOM
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PDBbind

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Add batch 36

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  1. 1f90/1f90_ligand.mol2 +328 -0
  2. 1f90/1f90_ligand.sdf +324 -0
  3. 1f90/1f90_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1f90/1f90_protein_processed_fix.pdb +0 -0
  5. 1i3z/1i3z_ligand.mol2 +362 -0
  6. 1i3z/1i3z_ligand.sdf +356 -0
  7. 1i3z/1i3z_protein_esmfold_aligned_tr_fix.pdb +830 -0
  8. 1i3z/1i3z_protein_processed_fix.pdb +0 -0
  9. 1oj5/1oj5_ligand.mol2 +453 -0
  10. 1oj5/1oj5_ligand.sdf +449 -0
  11. 1oj5/1oj5_protein_esmfold_aligned_tr_fix.pdb +843 -0
  12. 1oj5/1oj5_protein_processed_fix.pdb +0 -0
  13. 1pxk/1pxk_ligand.mol2 +73 -0
  14. 1pxk/1pxk_ligand.sdf +63 -0
  15. 1pxk/1pxk_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1pxk/1pxk_protein_processed_fix.pdb +0 -0
  17. 1qxl/1qxl_ligand.mol2 +151 -0
  18. 1qxl/1qxl_ligand.sdf +141 -0
  19. 1qxl/1qxl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1qxl/1qxl_protein_processed_fix.pdb +0 -0
  21. 1w0z/1w0z_ligand.mol2 +134 -0
  22. 1w0z/1w0z_ligand.sdf +122 -0
  23. 1w0z/1w0z_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1w0z/1w0z_protein_processed_fix.pdb +0 -0
  25. 2bvs/2bvs_ligand.mol2 +155 -0
  26. 2bvs/2bvs_ligand.sdf +143 -0
  27. 2bvs/2bvs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 2bvs/2bvs_protein_processed_fix.pdb +0 -0
  29. 2ewy/2ewy_ligand.mol2 +162 -0
  30. 2ewy/2ewy_ligand.sdf +152 -0
  31. 2ewy/2ewy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 2ewy/2ewy_protein_processed_fix.pdb +0 -0
  33. 2jdp/2jdp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 2jdp/2jdp_protein_processed_fix.pdb +0 -0
  35. 2nqi/2nqi_ligand.mol2 +185 -0
  36. 2nqi/2nqi_ligand.sdf +171 -0
  37. 2nqi/2nqi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2nqi/2nqi_protein_processed_fix.pdb +0 -0
  39. 2rfy/2rfy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2rfy/2rfy_protein_processed_fix.pdb +0 -0
  41. 2wu6/2wu6_ligand.mol2 +100 -0
  42. 2wu6/2wu6_ligand.sdf +90 -0
  43. 2wu6/2wu6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2wu6/2wu6_protein_processed_fix.pdb +0 -0
  45. 2xz5/2xz5_ligand.mol2 +67 -0
  46. 2xz5/2xz5_ligand.sdf +57 -0
  47. 2xz5/2xz5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2xz5/2xz5_protein_processed_fix.pdb +0 -0
  49. 2ycf/2ycf_ligand.mol2 +137 -0
  50. 2ycf/2ycf_ligand.sdf +119 -0
1f90/1f90_ligand.mol2 ADDED
@@ -0,0 +1,328 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1f90_ligand
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+ 156 156 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 N 59.1680 59.6480 -25.6250 N.4 1 LYS 0.2379
14
+ 2 CA 59.8460 58.8870 -24.5230 C.3 1 LYS 0.0652
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+ 3 C 60.0390 57.3980 -24.8540 C.2 1 LYS 0.2292
16
+ 4 O 59.0900 56.7050 -25.2310 O.2 1 LYS -0.3905
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+ 5 CB 59.0430 59.0330 -23.2280 C.3 1 LYS 0.0080
18
+ 6 CG 59.8180 58.7110 -21.9550 C.3 1 LYS -0.0410
19
+ 7 CD 59.2340 59.4630 -20.7580 C.3 1 LYS -0.0123
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+ 8 CE 60.0240 59.1950 -19.4840 C.3 1 LYS -0.0354
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+ 9 NZ 59.6730 60.1220 -18.3630 N.4 1 LYS 0.2185
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+ 10 N 61.2760 56.8860 -24.7020 N.am 1 PRO -0.2471
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+ 11 CA 61.6340 55.4890 -24.9770 C.3 1 PRO 0.1339
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+ 12 C 60.6190 54.4560 -24.4940 C.2 1 PRO 0.2041
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+ 13 O 59.9080 54.6790 -23.5230 O.2 1 PRO -0.3944
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+ 14 CB 62.9840 55.3410 -24.2820 C.3 1 PRO -0.0104
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+ 15 CG 63.5810 56.6790 -24.4690 C.3 1 PRO -0.0281
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+ 16 CD 62.4330 57.6140 -24.1550 C.3 1 PRO 0.0371
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+ 17 N 60.5670 53.3190 -25.1820 N.am 1 LEU -0.2637
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+ 18 CA 59.6480 52.2410 -24.8350 C.3 1 LEU 0.1312
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+ 19 C 59.9630 51.6420 -23.4740 C.2 1 LEU 0.2039
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+ 20 O 59.0540 51.3230 -22.7110 O.2 1 LEU -0.3944
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+ 21 CB 59.6840 51.1510 -25.9100 C.3 1 LEU -0.0101
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+ 22 CG 58.9640 51.5240 -27.2040 C.3 1 LEU -0.0425
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+ 23 CD1 59.1380 50.4450 -28.2520 C.3 1 LEU -0.0625
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+ 24 CD2 57.4960 51.7320 -26.8860 C.3 1 LEU -0.0625
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+ 25 N 61.2460 51.4900 -23.1690 N.am 1 GLU -0.2636
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+ 26 CA 61.6530 50.9380 -21.8820 C.3 1 GLU 0.1325
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+ 27 C 60.9620 51.6400 -20.7070 C.2 1 GLU 0.2040
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+ 28 O 60.6510 51.0150 -19.6940 O.2 1 GLU -0.3944
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+ 29 CB 63.1590 51.0350 -21.7220 C.3 1 GLU -0.0008
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+ 30 CG 63.6050 50.7400 -20.3300 C.3 1 GLU 0.0044
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+ 31 CD 64.8700 49.9340 -20.2910 C.2 1 GLU 0.0350
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+ 32 OE1 65.8630 50.3580 -20.9150 O.co2 1 GLU -0.5690
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+ 33 OE2 64.8650 48.8740 -19.6320 O.co2 1 GLU -0.5690
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+ 34 N 60.7240 52.9410 -20.8420 N.am 1 GLU -0.2636
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+ 35 CA 60.0420 53.6860 -19.7940 C.3 1 GLU 0.1325
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+ 36 C 58.5450 53.5690 -19.9890 C.2 1 GLU 0.2040
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+ 37 O 57.8240 53.1850 -19.0720 O.2 1 GLU -0.3944
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+ 38 CB 60.4420 55.1570 -19.8150 C.3 1 GLU -0.0008
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+ 39 CG 61.8170 55.4120 -19.2470 C.3 1 GLU 0.0044
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+ 40 CD 62.1320 56.8800 -19.1580 C.2 1 GLU 0.0350
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+ 41 OE1 62.1050 57.5570 -20.2050 O.co2 1 GLU -0.5690
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+ 43 N 58.0840 53.8940 -21.1910 N.am 1 VAL -0.2635
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+ 44 CA 56.6650 53.8200 -21.5140 C.3 1 VAL 0.1332
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+ 45 C 56.0520 52.5040 -21.0630 C.2 1 VAL 0.2041
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+ 46 O 54.9830 52.4910 -20.4620 O.2 1 VAL -0.3944
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+ 47 CB 56.4250 53.9640 -23.0340 C.3 1 VAL -0.0063
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+ 48 CG1 54.9580 53.7590 -23.3500 C.3 1 VAL -0.0584
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+ 49 CG2 56.8720 55.3350 -23.5040 C.3 1 VAL -0.0584
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+ 50 N 56.7360 51.3990 -21.3370 N.am 1 LEU -0.2637
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+ 51 CA 56.2230 50.0790 -20.9810 C.3 1 LEU 0.1312
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+ 54 CB 56.9210 49.0050 -21.8240 C.3 1 LEU -0.0101
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+ 58 N 57.0350 50.5150 -18.7290 N.am 1 ASN -0.2616
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+ 59 CA 57.1870 50.2530 -17.3010 C.3 1 ASN 0.1475
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+ 60 C 56.8250 51.4740 -16.4600 C.2 1 ASN 0.2057
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+ 61 O 57.5840 51.8880 -15.5820 O.2 1 ASN -0.3942
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+ 62 CB 58.6250 49.8220 -17.0020 C.3 1 ASN 0.0773
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+ 63 CG 58.9990 48.5240 -17.6910 C.2 1 ASN 0.1780
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+ 64 OD1 58.3800 47.4820 -17.4610 O.2 1 ASN -0.3970
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+ 65 ND2 60.0170 48.5800 -18.5420 N.am 1 ASN -0.3007
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+ 66 N 55.6520 52.0380 -16.7300 N.am 1 LEU -0.2693
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+ 67 CA 55.1850 53.2220 -16.0170 C.3 1 LEU 0.0946
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+ 68 C 53.6590 53.2830 -16.0350 C.2 1 LEU 0.0601
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+ 69 O 53.1060 54.2950 -16.5240 O.co2 1 LEU -0.5666
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+ 70 CB 55.7690 54.4780 -16.6730 C.3 1 LEU -0.0156
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+ 71 CG 55.5420 55.8460 -16.0280 C.3 1 LEU -0.0431
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+ 72 CD1 56.1580 55.8750 -14.6340 C.3 1 LEU -0.0625
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+ 73 CD2 56.1600 56.9220 -16.9150 C.3 1 LEU -0.0625
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+ 74 OXT 53.0360 52.3100 -15.5570 O.co2 1 LEU -0.5666
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+ 75 H1 59.0683 60.6138 -25.3543 H 1 LYS 0.2015
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+ 76 H2 58.2573 59.2514 -25.7963 H 1 LYS 0.2015
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+ 77 H3 59.7231 59.5899 -26.4644 H 1 LYS 0.2015
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+ 78 H4 60.8410 59.3298 -24.3687 H 1 LYS 0.1098
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+ 79 H5 58.1787 58.3549 -23.2831 H 1 LYS 0.0346
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+ 80 H6 58.6898 60.0725 -23.1598 H 1 LYS 0.0346
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+ 81 H7 60.8691 59.0064 -22.0884 H 1 LYS 0.0270
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+ 82 H8 59.7626 57.6293 -21.7631 H 1 LYS 0.0270
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+ 83 H9 58.1936 59.1394 -20.6069 H 1 LYS 0.0317
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+ 84 H10 59.2553 60.5421 -20.9701 H 1 LYS 0.0317
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+ 85 H11 61.0952 59.3074 -19.7074 H 1 LYS 0.0813
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+ 86 H12 59.8234 58.1633 -19.1595 H 1 LYS 0.0813
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+ 87 H13 60.2273 59.8941 -17.5525 H 1 LYS 0.1994
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+ 88 H14 58.6950 60.0239 -18.1396 H 1 LYS 0.1994
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+ 89 H15 59.8604 61.0724 -18.6417 H 1 LYS 0.1994
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+ 92 H18 62.8592 55.1059 -23.2147 H 1 PRO 0.0313
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+ 93 H19 63.9293 56.8149 -25.5035 H 1 PRO 0.0287
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+ 94 H20 64.4202 56.8374 -23.7757 H 1 PRO 0.0287
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+ 95 H21 62.3302 57.7682 -23.0707 H 1 PRO 0.0524
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+ 97 H23 61.1789 53.1992 -25.9638 H 1 LEU 0.1883
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+ 98 H24 58.6311 52.6586 -24.7970 H 1 LEU 0.0800
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+ 100 H26 60.7361 50.9376 -26.1499 H 1 LEU 0.0315
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+ 101 H27 59.3856 52.4625 -27.5931 H 1 LEU 0.0298
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+ 104 H30 60.2083 50.3139 -28.4691 H 1 LEU 0.0232
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+ 105 H31 57.3938 52.5187 -26.1239 H 1 LEU 0.0232
118
+ 106 H32 57.0670 50.7938 -26.5043 H 1 LEU 0.0232
119
+ 107 H33 56.9623 52.0345 -27.7990 H 1 LEU 0.0232
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+ 108 H34 61.9446 51.7583 -23.8324 H 1 GLU 0.1883
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+ 109 H35 61.3675 49.8759 -21.8617 H 1 GLU 0.0801
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+ 112 H38 62.8116 50.1764 -19.8173 H 1 GLU 0.0433
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+ 113 H39 63.7766 51.6915 -19.8053 H 1 GLU 0.0433
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+ 114 H40 61.0170 53.4133 -21.6733 H 1 GLU 0.1883
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+ 116 H42 59.7095 55.7261 -19.2239 H 1 GLU 0.0330
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+ 117 H43 60.4246 55.5084 -20.8572 H 1 GLU 0.0330
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+ 118 H44 62.5631 54.9283 -19.8946 H 1 GLU 0.0433
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+ 121 H47 56.1536 54.6439 -20.9948 H 1 VAL 0.0802
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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
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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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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164
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167
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168
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174
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+ M END
356
+ $$$$
1i3z/1i3z_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,830 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N MET A 1 10.008 5.319 -3.478 1.00 0.00 N
3
+ ATOM 2 CA MET A 1 11.379 5.820 -3.442 1.00 0.00 C
4
+ ATOM 3 C MET A 1 12.327 4.772 -2.868 1.00 0.00 C
5
+ ATOM 4 CB MET A 1 11.460 7.105 -2.617 1.00 0.00 C
6
+ ATOM 5 O MET A 1 12.167 4.344 -1.725 1.00 0.00 O
7
+ ATOM 6 CG MET A 1 12.572 8.044 -3.052 1.00 0.00 C
8
+ ATOM 7 SD MET A 1 12.483 9.676 -2.217 1.00 0.00 S
9
+ ATOM 8 CE MET A 1 11.218 10.488 -3.233 1.00 0.00 C
10
+ ATOM 9 N ASP A 2 13.121 4.114 -3.654 1.00 0.00 N
11
+ ATOM 10 CA ASP A 2 13.953 2.981 -3.263 1.00 0.00 C
12
+ ATOM 11 C ASP A 2 15.371 3.433 -2.920 1.00 0.00 C
13
+ ATOM 12 CB ASP A 2 13.991 1.933 -4.377 1.00 0.00 C
14
+ ATOM 13 O ASP A 2 16.345 2.887 -3.440 1.00 0.00 O
15
+ ATOM 14 CG ASP A 2 14.465 0.573 -3.896 1.00 0.00 C
16
+ ATOM 15 OD1 ASP A 2 14.415 0.305 -2.677 1.00 0.00 O
17
+ ATOM 16 OD2 ASP A 2 14.898 -0.237 -4.745 1.00 0.00 O
18
+ ATOM 17 N LEU A 3 15.482 4.595 -2.307 1.00 0.00 N
19
+ ATOM 18 CA LEU A 3 16.796 5.048 -1.863 1.00 0.00 C
20
+ ATOM 19 C LEU A 3 17.028 4.692 -0.399 1.00 0.00 C
21
+ ATOM 20 CB LEU A 3 16.937 6.559 -2.061 1.00 0.00 C
22
+ ATOM 21 O LEU A 3 16.165 4.932 0.448 1.00 0.00 O
23
+ ATOM 22 CG LEU A 3 16.923 7.059 -3.507 1.00 0.00 C
24
+ ATOM 23 CD1 LEU A 3 16.789 8.578 -3.542 1.00 0.00 C
25
+ ATOM 24 CD2 LEU A 3 18.184 6.611 -4.239 1.00 0.00 C
26
+ ATOM 25 N PRO A 4 18.282 4.105 -0.090 1.00 0.00 N
27
+ ATOM 26 CA PRO A 4 18.514 3.590 1.262 1.00 0.00 C
28
+ ATOM 27 C PRO A 4 18.643 4.700 2.302 1.00 0.00 C
29
+ ATOM 28 CB PRO A 4 19.826 2.814 1.124 1.00 0.00 C
30
+ ATOM 29 O PRO A 4 18.517 4.445 3.503 1.00 0.00 O
31
+ ATOM 30 CG PRO A 4 20.467 3.363 -0.109 1.00 0.00 C
32
+ ATOM 31 CD PRO A 4 19.384 3.804 -1.053 1.00 0.00 C
33
+ ATOM 32 N TYR A 5 18.909 5.876 1.939 1.00 0.00 N
34
+ ATOM 33 CA TYR A 5 19.031 6.994 2.868 1.00 0.00 C
35
+ ATOM 34 C TYR A 5 17.770 7.849 2.863 1.00 0.00 C
36
+ ATOM 35 CB TYR A 5 20.248 7.855 2.515 1.00 0.00 C
37
+ ATOM 36 O TYR A 5 17.773 8.973 3.371 1.00 0.00 O
38
+ ATOM 37 CG TYR A 5 20.359 8.173 1.044 1.00 0.00 C
39
+ ATOM 38 CD1 TYR A 5 21.189 7.426 0.210 1.00 0.00 C
40
+ ATOM 39 CD2 TYR A 5 19.638 9.222 0.484 1.00 0.00 C
41
+ ATOM 40 CE1 TYR A 5 21.296 7.716 -1.146 1.00 0.00 C
42
+ ATOM 41 CE2 TYR A 5 19.738 9.522 -0.870 1.00 0.00 C
43
+ ATOM 42 OH TYR A 5 20.670 9.056 -3.018 1.00 0.00 O
44
+ ATOM 43 CZ TYR A 5 20.567 8.765 -1.676 1.00 0.00 C
45
+ ATOM 44 N TYR A 6 16.693 7.540 2.180 1.00 0.00 N
46
+ ATOM 45 CA TYR A 6 15.374 8.145 2.320 1.00 0.00 C
47
+ ATOM 46 C TYR A 6 14.598 7.503 3.465 1.00 0.00 C
48
+ ATOM 47 CB TYR A 6 14.581 8.015 1.016 1.00 0.00 C
49
+ ATOM 48 O TYR A 6 14.303 6.305 3.428 1.00 0.00 O
50
+ ATOM 49 CG TYR A 6 13.137 8.434 1.139 1.00 0.00 C
51
+ ATOM 50 CD1 TYR A 6 12.796 9.752 1.435 1.00 0.00 C
52
+ ATOM 51 CD2 TYR A 6 12.109 7.513 0.960 1.00 0.00 C
53
+ ATOM 52 CE1 TYR A 6 11.466 10.142 1.551 1.00 0.00 C
54
+ ATOM 53 CE2 TYR A 6 10.776 7.892 1.074 1.00 0.00 C
55
+ ATOM 54 OH TYR A 6 9.146 9.587 1.482 1.00 0.00 O
56
+ ATOM 55 CZ TYR A 6 10.464 9.206 1.368 1.00 0.00 C
57
+ ATOM 56 N HIS A 7 14.196 8.242 4.449 1.00 0.00 N
58
+ ATOM 57 CA HIS A 7 13.621 7.733 5.689 1.00 0.00 C
59
+ ATOM 58 C HIS A 7 12.136 8.067 5.785 1.00 0.00 C
60
+ ATOM 59 CB HIS A 7 14.367 8.302 6.898 1.00 0.00 C
61
+ ATOM 60 O HIS A 7 11.506 7.819 6.816 1.00 0.00 O
62
+ ATOM 61 CG HIS A 7 15.711 7.684 7.119 1.00 0.00 C
63
+ ATOM 62 CD2 HIS A 7 16.874 7.821 6.440 1.00 0.00 C
64
+ ATOM 63 ND1 HIS A 7 15.964 6.802 8.147 1.00 0.00 N
65
+ ATOM 64 CE1 HIS A 7 17.230 6.423 8.091 1.00 0.00 C
66
+ ATOM 65 NE2 HIS A 7 17.804 7.027 7.064 1.00 0.00 N
67
+ ATOM 66 N GLY A 8 11.551 8.611 4.750 1.00 0.00 N
68
+ ATOM 67 CA GLY A 8 10.126 8.903 4.760 1.00 0.00 C
69
+ ATOM 68 C GLY A 8 9.730 9.902 5.830 1.00 0.00 C
70
+ ATOM 69 O GLY A 8 10.271 11.008 5.885 1.00 0.00 O
71
+ ATOM 70 N CYS A 9 8.702 9.462 6.687 1.00 0.00 N
72
+ ATOM 71 CA CYS A 9 8.087 10.368 7.649 1.00 0.00 C
73
+ ATOM 72 C CYS A 9 8.896 10.426 8.940 1.00 0.00 C
74
+ ATOM 73 CB CYS A 9 6.653 9.934 7.955 1.00 0.00 C
75
+ ATOM 74 O CYS A 9 8.330 10.559 10.026 1.00 0.00 O
76
+ ATOM 75 SG CYS A 9 5.543 10.037 6.532 1.00 0.00 S
77
+ ATOM 76 N LEU A 10 10.161 10.571 8.900 1.00 0.00 N
78
+ ATOM 77 CA LEU A 10 11.036 10.751 10.053 1.00 0.00 C
79
+ ATOM 78 C LEU A 10 10.905 12.160 10.620 1.00 0.00 C
80
+ ATOM 79 CB LEU A 10 12.493 10.476 9.668 1.00 0.00 C
81
+ ATOM 80 O LEU A 10 10.997 13.143 9.879 1.00 0.00 O
82
+ ATOM 81 CG LEU A 10 13.474 10.285 10.826 1.00 0.00 C
83
+ ATOM 82 CD1 LEU A 10 13.249 8.934 11.495 1.00 0.00 C
84
+ ATOM 83 CD2 LEU A 10 14.912 10.411 10.333 1.00 0.00 C
85
+ ATOM 84 N THR A 11 10.684 12.319 11.968 1.00 0.00 N
86
+ ATOM 85 CA THR A 11 10.569 13.634 12.590 1.00 0.00 C
87
+ ATOM 86 C THR A 11 11.928 14.328 12.640 1.00 0.00 C
88
+ ATOM 87 CB THR A 11 9.991 13.531 14.013 1.00 0.00 C
89
+ ATOM 88 O THR A 11 12.969 13.677 12.526 1.00 0.00 O
90
+ ATOM 89 CG2 THR A 11 8.677 12.756 14.017 1.00 0.00 C
91
+ ATOM 90 OG1 THR A 11 10.933 12.857 14.858 1.00 0.00 O
92
+ ATOM 91 N LYS A 12 11.857 15.671 12.830 1.00 0.00 N
93
+ ATOM 92 CA LYS A 12 13.087 16.445 12.967 1.00 0.00 C
94
+ ATOM 93 C LYS A 12 13.928 15.939 14.136 1.00 0.00 C
95
+ ATOM 94 CB LYS A 12 12.770 17.929 13.153 1.00 0.00 C
96
+ ATOM 95 O LYS A 12 15.150 15.828 14.025 1.00 0.00 O
97
+ ATOM 96 CG LYS A 12 12.345 18.636 11.875 1.00 0.00 C
98
+ ATOM 97 CD LYS A 12 12.155 20.131 12.101 1.00 0.00 C
99
+ ATOM 98 CE LYS A 12 11.660 20.829 10.840 1.00 0.00 C
100
+ ATOM 99 NZ LYS A 12 11.462 22.293 11.059 1.00 0.00 N
101
+ ATOM 100 N ARG A 13 13.330 15.604 15.204 1.00 0.00 N
102
+ ATOM 101 CA ARG A 13 14.029 15.130 16.393 1.00 0.00 C
103
+ ATOM 102 C ARG A 13 14.691 13.780 16.138 1.00 0.00 C
104
+ ATOM 103 CB ARG A 13 13.064 15.025 17.577 1.00 0.00 C
105
+ ATOM 104 O ARG A 13 15.833 13.556 16.544 1.00 0.00 O
106
+ ATOM 105 CG ARG A 13 13.744 14.698 18.898 1.00 0.00 C
107
+ ATOM 106 CD ARG A 13 12.743 14.622 20.043 1.00 0.00 C
108
+ ATOM 107 NE ARG A 13 13.375 14.183 21.283 1.00 0.00 N
109
+ ATOM 108 NH1 ARG A 13 11.487 14.453 22.585 1.00 0.00 N
110
+ ATOM 109 NH2 ARG A 13 13.435 13.699 23.527 1.00 0.00 N
111
+ ATOM 110 CZ ARG A 13 12.765 14.113 22.462 1.00 0.00 C
112
+ ATOM 111 N GLU A 14 13.964 12.826 15.546 1.00 0.00 N
113
+ ATOM 112 CA GLU A 14 14.525 11.524 15.199 1.00 0.00 C
114
+ ATOM 113 C GLU A 14 15.669 11.665 14.198 1.00 0.00 C
115
+ ATOM 114 CB GLU A 14 13.441 10.604 14.632 1.00 0.00 C
116
+ ATOM 115 O GLU A 14 16.678 10.963 14.298 1.00 0.00 O
117
+ ATOM 116 CG GLU A 14 12.408 10.164 15.660 1.00 0.00 C
118
+ ATOM 117 CD GLU A 14 11.198 9.483 15.041 1.00 0.00 C
119
+ ATOM 118 OE1 GLU A 14 10.837 9.815 13.889 1.00 0.00 O
120
+ ATOM 119 OE2 GLU A 14 10.607 8.608 15.713 1.00 0.00 O
121
+ ATOM 120 N CYS A 15 15.492 12.583 13.271 1.00 0.00 N
122
+ ATOM 121 CA CYS A 15 16.526 12.864 12.283 1.00 0.00 C
123
+ ATOM 122 C CYS A 15 17.804 13.352 12.954 1.00 0.00 C
124
+ ATOM 123 CB CYS A 15 16.037 13.906 11.277 1.00 0.00 C
125
+ ATOM 124 O CYS A 15 18.895 12.869 12.647 1.00 0.00 O
126
+ ATOM 125 SG CYS A 15 17.289 14.399 10.072 1.00 0.00 S
127
+ ATOM 126 N GLU A 16 17.722 14.238 13.870 1.00 0.00 N
128
+ ATOM 127 CA GLU A 16 18.869 14.770 14.599 1.00 0.00 C
129
+ ATOM 128 C GLU A 16 19.586 13.672 15.379 1.00 0.00 C
130
+ ATOM 129 CB GLU A 16 18.432 15.889 15.548 1.00 0.00 C
131
+ ATOM 130 O GLU A 16 20.817 13.609 15.386 1.00 0.00 O
132
+ ATOM 131 CG GLU A 16 18.119 17.203 14.846 1.00 0.00 C
133
+ ATOM 132 CD GLU A 16 17.631 18.287 15.794 1.00 0.00 C
134
+ ATOM 133 OE1 GLU A 16 17.491 18.016 17.007 1.00 0.00 O
135
+ ATOM 134 OE2 GLU A 16 17.386 19.418 15.317 1.00 0.00 O
136
+ ATOM 135 N ALA A 17 18.813 12.859 16.001 1.00 0.00 N
137
+ ATOM 136 CA ALA A 17 19.394 11.771 16.782 1.00 0.00 C
138
+ ATOM 137 C ALA A 17 20.227 10.847 15.899 1.00 0.00 C
139
+ ATOM 138 CB ALA A 17 18.297 10.979 17.490 1.00 0.00 C
140
+ ATOM 139 O ALA A 17 21.319 10.424 16.287 1.00 0.00 O
141
+ ATOM 140 N LEU A 18 19.745 10.542 14.724 1.00 0.00 N
142
+ ATOM 141 CA LEU A 18 20.451 9.660 13.801 1.00 0.00 C
143
+ ATOM 142 C LEU A 18 21.701 10.337 13.251 1.00 0.00 C
144
+ ATOM 143 CB LEU A 18 19.533 9.243 12.649 1.00 0.00 C
145
+ ATOM 144 O LEU A 18 22.775 9.732 13.214 1.00 0.00 O
146
+ ATOM 145 CG LEU A 18 18.388 8.292 13.004 1.00 0.00 C
147
+ ATOM 146 CD1 LEU A 18 17.504 8.050 11.786 1.00 0.00 C
148
+ ATOM 147 CD2 LEU A 18 18.935 6.976 13.546 1.00 0.00 C
149
+ ATOM 148 N LEU A 19 21.606 11.558 12.886 1.00 0.00 N
150
+ ATOM 149 CA LEU A 19 22.676 12.240 12.164 1.00 0.00 C
151
+ ATOM 150 C LEU A 19 23.813 12.618 13.107 1.00 0.00 C
152
+ ATOM 151 CB LEU A 19 22.139 13.492 11.465 1.00 0.00 C
153
+ ATOM 152 O LEU A 19 24.978 12.634 12.706 1.00 0.00 O
154
+ ATOM 153 CG LEU A 19 21.305 13.259 10.204 1.00 0.00 C
155
+ ATOM 154 CD1 LEU A 19 20.732 14.578 9.698 1.00 0.00 C
156
+ ATOM 155 CD2 LEU A 19 22.144 12.585 9.125 1.00 0.00 C
157
+ ATOM 156 N LEU A 20 23.509 12.873 14.327 1.00 0.00 N
158
+ ATOM 157 CA LEU A 20 24.529 13.350 15.256 1.00 0.00 C
159
+ ATOM 158 C LEU A 20 25.137 12.190 16.037 1.00 0.00 C
160
+ ATOM 159 CB LEU A 20 23.936 14.377 16.223 1.00 0.00 C
161
+ ATOM 160 O LEU A 20 26.046 12.389 16.846 1.00 0.00 O
162
+ ATOM 161 CG LEU A 20 23.411 15.672 15.600 1.00 0.00 C
163
+ ATOM 162 CD1 LEU A 20 22.890 16.608 16.684 1.00 0.00 C
164
+ ATOM 163 CD2 LEU A 20 24.501 16.350 14.778 1.00 0.00 C
165
+ ATOM 164 N LYS A 21 24.566 11.065 15.703 1.00 0.00 N
166
+ ATOM 165 CA LYS A 21 25.191 9.896 16.318 1.00 0.00 C
167
+ ATOM 166 C LYS A 21 26.635 9.736 15.852 1.00 0.00 C
168
+ ATOM 167 CB LYS A 21 24.394 8.630 16.000 1.00 0.00 C
169
+ ATOM 168 O LYS A 21 26.906 9.722 14.649 1.00 0.00 O
170
+ ATOM 169 CG LYS A 21 24.871 7.394 16.746 1.00 0.00 C
171
+ ATOM 170 CD LYS A 21 23.999 6.184 16.438 1.00 0.00 C
172
+ ATOM 171 CE LYS A 21 24.461 4.951 17.202 1.00 0.00 C
173
+ ATOM 172 NZ LYS A 21 23.574 3.776 16.950 1.00 0.00 N
174
+ ATOM 173 N GLY A 22 27.630 9.765 16.790 1.00 0.00 N
175
+ ATOM 174 CA GLY A 22 29.039 9.591 16.475 1.00 0.00 C
176
+ ATOM 175 C GLY A 22 29.766 10.903 16.250 1.00 0.00 C
177
+ ATOM 176 O GLY A 22 30.999 10.939 16.223 1.00 0.00 O
178
+ ATOM 177 N GLY A 23 28.932 11.985 16.022 1.00 0.00 N
179
+ ATOM 178 CA GLY A 23 29.534 13.306 15.955 1.00 0.00 C
180
+ ATOM 179 C GLY A 23 30.331 13.535 14.684 1.00 0.00 C
181
+ ATOM 180 O GLY A 23 31.285 14.316 14.676 1.00 0.00 O
182
+ ATOM 181 N VAL A 24 30.005 12.884 13.643 1.00 0.00 N
183
+ ATOM 182 CA VAL A 24 30.707 12.934 12.366 1.00 0.00 C
184
+ ATOM 183 C VAL A 24 30.014 13.924 11.433 1.00 0.00 C
185
+ ATOM 184 CB VAL A 24 30.780 11.540 11.703 1.00 0.00 C
186
+ ATOM 185 O VAL A 24 28.785 13.926 11.320 1.00 0.00 O
187
+ ATOM 186 CG1 VAL A 24 31.491 11.621 10.353 1.00 0.00 C
188
+ ATOM 187 CG2 VAL A 24 31.488 10.549 12.624 1.00 0.00 C
189
+ ATOM 188 N ASP A 25 30.801 14.781 10.866 1.00 0.00 N
190
+ ATOM 189 CA ASP A 25 30.299 15.701 9.851 1.00 0.00 C
191
+ ATOM 190 C ASP A 25 30.015 14.971 8.540 1.00 0.00 C
192
+ ATOM 191 CB ASP A 25 31.298 16.836 9.615 1.00 0.00 C
193
+ ATOM 192 O ASP A 25 30.698 14.002 8.203 1.00 0.00 O
194
+ ATOM 193 CG ASP A 25 31.396 17.793 10.790 1.00 0.00 C
195
+ ATOM 194 OD1 ASP A 25 30.582 17.687 11.733 1.00 0.00 O
196
+ ATOM 195 OD2 ASP A 25 32.294 18.663 10.772 1.00 0.00 O
197
+ ATOM 196 N GLY A 26 28.993 15.405 7.931 1.00 0.00 N
198
+ ATOM 197 CA GLY A 26 28.727 14.876 6.602 1.00 0.00 C
199
+ ATOM 198 C GLY A 26 27.747 13.717 6.607 1.00 0.00 C
200
+ ATOM 199 O GLY A 26 27.406 13.183 5.550 1.00 0.00 O
201
+ ATOM 200 N ASN A 27 27.317 13.284 7.796 1.00 0.00 N
202
+ ATOM 201 CA ASN A 27 26.189 12.360 7.854 1.00 0.00 C
203
+ ATOM 202 C ASN A 27 24.933 12.970 7.236 1.00 0.00 C
204
+ ATOM 203 CB ASN A 27 25.918 11.933 9.297 1.00 0.00 C
205
+ ATOM 204 O ASN A 27 24.598 14.123 7.512 1.00 0.00 O
206
+ ATOM 205 CG ASN A 27 26.955 10.961 9.825 1.00 0.00 C
207
+ ATOM 206 ND2 ASN A 27 26.990 10.788 11.141 1.00 0.00 N
208
+ ATOM 207 OD1 ASN A 27 27.719 10.373 9.055 1.00 0.00 O
209
+ ATOM 208 N PHE A 28 24.233 12.186 6.451 1.00 0.00 N
210
+ ATOM 209 CA PHE A 28 23.070 12.813 5.833 1.00 0.00 C
211
+ ATOM 210 C PHE A 28 21.958 11.795 5.616 1.00 0.00 C
212
+ ATOM 211 CB PHE A 28 23.453 13.467 4.502 1.00 0.00 C
213
+ ATOM 212 O PHE A 28 22.214 10.589 5.565 1.00 0.00 O
214
+ ATOM 213 CG PHE A 28 23.743 12.480 3.403 1.00 0.00 C
215
+ ATOM 214 CD1 PHE A 28 25.013 11.937 3.255 1.00 0.00 C
216
+ ATOM 215 CD2 PHE A 28 22.744 12.096 2.518 1.00 0.00 C
217
+ ATOM 216 CE1 PHE A 28 25.284 11.024 2.239 1.00 0.00 C
218
+ ATOM 217 CE2 PHE A 28 23.007 11.183 1.500 1.00 0.00 C
219
+ ATOM 218 CZ PHE A 28 24.278 10.650 1.362 1.00 0.00 C
220
+ ATOM 219 N LEU A 29 20.770 12.227 5.436 1.00 0.00 N
221
+ ATOM 220 CA LEU A 29 19.591 11.476 5.015 1.00 0.00 C
222
+ ATOM 221 C LEU A 29 18.543 12.405 4.413 1.00 0.00 C
223
+ ATOM 222 CB LEU A 29 18.992 10.711 6.198 1.00 0.00 C
224
+ ATOM 223 O LEU A 29 18.683 13.629 4.473 1.00 0.00 O
225
+ ATOM 224 CG LEU A 29 18.579 11.549 7.409 1.00 0.00 C
226
+ ATOM 225 CD1 LEU A 29 17.248 12.243 7.144 1.00 0.00 C
227
+ ATOM 226 CD2 LEU A 29 18.495 10.679 8.658 1.00 0.00 C
228
+ ATOM 227 N ILE A 30 17.571 11.848 3.774 1.00 0.00 N
229
+ ATOM 228 CA ILE A 30 16.434 12.561 3.200 1.00 0.00 C
230
+ ATOM 229 C ILE A 30 15.144 12.109 3.884 1.00 0.00 C
231
+ ATOM 230 CB ILE A 30 16.338 12.337 1.674 1.00 0.00 C
232
+ ATOM 231 O ILE A 30 14.951 10.917 4.132 1.00 0.00 O
233
+ ATOM 232 CG1 ILE A 30 17.565 12.928 0.971 1.00 0.00 C
234
+ ATOM 233 CG2 ILE A 30 15.044 12.942 1.120 1.00 0.00 C
235
+ ATOM 234 CD1 ILE A 30 17.623 12.634 -0.523 1.00 0.00 C
236
+ ATOM 235 N ARG A 31 14.330 13.018 4.163 1.00 0.00 N
237
+ ATOM 236 CA ARG A 31 13.048 12.740 4.801 1.00 0.00 C
238
+ ATOM 237 C ARG A 31 11.947 13.626 4.228 1.00 0.00 C
239
+ ATOM 238 CB ARG A 31 13.146 12.941 6.315 1.00 0.00 C
240
+ ATOM 239 O ARG A 31 12.227 14.573 3.490 1.00 0.00 O
241
+ ATOM 240 CG ARG A 31 13.543 14.349 6.725 1.00 0.00 C
242
+ ATOM 241 CD ARG A 31 13.498 14.530 8.236 1.00 0.00 C
243
+ ATOM 242 NE ARG A 31 13.746 15.917 8.621 1.00 0.00 N
244
+ ATOM 243 NH1 ARG A 31 11.529 16.556 8.530 1.00 0.00 N
245
+ ATOM 244 NH2 ARG A 31 13.142 18.079 9.106 1.00 0.00 N
246
+ ATOM 245 CZ ARG A 31 12.805 16.848 8.751 1.00 0.00 C
247
+ ATOM 246 N ASP A 32 10.743 13.276 4.616 1.00 0.00 N
248
+ ATOM 247 CA ASP A 32 9.625 14.154 4.283 1.00 0.00 C
249
+ ATOM 248 C ASP A 32 9.648 15.419 5.136 1.00 0.00 C
250
+ ATOM 249 CB ASP A 32 8.295 13.420 4.464 1.00 0.00 C
251
+ ATOM 250 O ASP A 32 9.971 15.367 6.325 1.00 0.00 O
252
+ ATOM 251 CG ASP A 32 8.132 12.244 3.515 1.00 0.00 C
253
+ ATOM 252 OD1 ASP A 32 8.796 12.217 2.458 1.00 0.00 O
254
+ ATOM 253 OD2 ASP A 32 7.330 11.338 3.829 1.00 0.00 O
255
+ ATOM 254 N SER A 33 9.364 16.512 4.449 1.00 0.00 N
256
+ ATOM 255 CA SER A 33 9.209 17.744 5.215 1.00 0.00 C
257
+ ATOM 256 C SER A 33 7.977 17.686 6.113 1.00 0.00 C
258
+ ATOM 257 CB SER A 33 9.110 18.949 4.278 1.00 0.00 C
259
+ ATOM 258 O SER A 33 6.912 17.235 5.686 1.00 0.00 O
260
+ ATOM 259 OG SER A 33 8.875 20.139 5.012 1.00 0.00 O
261
+ ATOM 260 N GLU A 34 8.190 18.136 7.325 1.00 0.00 N
262
+ ATOM 261 CA GLU A 34 7.042 18.203 8.224 1.00 0.00 C
263
+ ATOM 262 C GLU A 34 6.216 19.462 7.970 1.00 0.00 C
264
+ ATOM 263 CB GLU A 34 7.497 18.158 9.684 1.00 0.00 C
265
+ ATOM 264 O GLU A 34 5.008 19.477 8.213 1.00 0.00 O
266
+ ATOM 265 CG GLU A 34 8.080 16.818 10.106 1.00 0.00 C
267
+ ATOM 266 CD GLU A 34 8.537 16.791 11.555 1.00 0.00 C
268
+ ATOM 267 OE1 GLU A 34 9.623 17.336 11.860 1.00 0.00 O
269
+ ATOM 268 OE2 GLU A 34 7.805 16.221 12.395 1.00 0.00 O
270
+ ATOM 269 N SER A 35 6.791 20.459 7.436 1.00 0.00 N
271
+ ATOM 270 CA SER A 35 6.134 21.761 7.397 1.00 0.00 C
272
+ ATOM 271 C SER A 35 5.537 22.036 6.020 1.00 0.00 C
273
+ ATOM 272 CB SER A 35 7.119 22.871 7.766 1.00 0.00 C
274
+ ATOM 273 O SER A 35 4.575 22.799 5.897 1.00 0.00 O
275
+ ATOM 274 OG SER A 35 8.223 22.879 6.878 1.00 0.00 O
276
+ ATOM 275 N VAL A 36 6.167 21.522 4.965 1.00 0.00 N
277
+ ATOM 276 CA VAL A 36 5.735 21.775 3.594 1.00 0.00 C
278
+ ATOM 277 C VAL A 36 5.272 20.471 2.949 1.00 0.00 C
279
+ ATOM 278 CB VAL A 36 6.861 22.416 2.753 1.00 0.00 C
280
+ ATOM 279 O VAL A 36 6.087 19.597 2.646 1.00 0.00 O
281
+ ATOM 280 CG1 VAL A 36 6.386 22.677 1.324 1.00 0.00 C
282
+ ATOM 281 CG2 VAL A 36 7.343 23.711 3.404 1.00 0.00 C
283
+ ATOM 282 N PRO A 37 4.009 20.296 2.752 1.00 0.00 N
284
+ ATOM 283 CA PRO A 37 3.501 19.064 2.143 1.00 0.00 C
285
+ ATOM 284 C PRO A 37 4.075 18.815 0.751 1.00 0.00 C
286
+ ATOM 285 CB PRO A 37 1.990 19.300 2.077 1.00 0.00 C
287
+ ATOM 286 O PRO A 37 4.084 19.719 -0.088 1.00 0.00 O
288
+ ATOM 287 CG PRO A 37 1.709 20.282 3.168 1.00 0.00 C
289
+ ATOM 288 CD PRO A 37 2.886 21.206 3.294 1.00 0.00 C
290
+ ATOM 289 N GLY A 38 4.529 17.576 0.590 1.00 0.00 N
291
+ ATOM 290 CA GLY A 38 5.035 17.197 -0.720 1.00 0.00 C
292
+ ATOM 291 C GLY A 38 6.521 17.452 -0.882 1.00 0.00 C
293
+ ATOM 292 O GLY A 38 7.141 16.962 -1.829 1.00 0.00 O
294
+ ATOM 293 N ALA A 39 7.090 18.330 -0.045 1.00 0.00 N
295
+ ATOM 294 CA ALA A 39 8.521 18.617 -0.113 1.00 0.00 C
296
+ ATOM 295 C ALA A 39 9.325 17.588 0.678 1.00 0.00 C
297
+ ATOM 296 CB ALA A 39 8.806 20.023 0.408 1.00 0.00 C
298
+ ATOM 297 O ALA A 39 8.799 16.953 1.597 1.00 0.00 O
299
+ ATOM 298 N LEU A 40 10.503 17.415 0.300 1.00 0.00 N
300
+ ATOM 299 CA LEU A 40 11.485 16.625 1.034 1.00 0.00 C
301
+ ATOM 300 C LEU A 40 12.514 17.526 1.709 1.00 0.00 C
302
+ ATOM 301 CB LEU A 40 12.189 15.639 0.098 1.00 0.00 C
303
+ ATOM 302 O LEU A 40 12.639 18.702 1.359 1.00 0.00 O
304
+ ATOM 303 CG LEU A 40 11.285 14.694 -0.695 1.00 0.00 C
305
+ ATOM 304 CD1 LEU A 40 12.094 13.953 -1.755 1.00 0.00 C
306
+ ATOM 305 CD2 LEU A 40 10.588 13.711 0.238 1.00 0.00 C
307
+ ATOM 306 N CYS A 41 13.220 16.957 2.597 1.00 0.00 N
308
+ ATOM 307 CA CYS A 41 14.318 17.644 3.265 1.00 0.00 C
309
+ ATOM 308 C CYS A 41 15.601 16.825 3.189 1.00 0.00 C
310
+ ATOM 309 CB CYS A 41 13.967 17.923 4.727 1.00 0.00 C
311
+ ATOM 310 O CYS A 41 15.620 15.656 3.577 1.00 0.00 O
312
+ ATOM 311 SG CYS A 41 12.687 19.178 4.940 1.00 0.00 S
313
+ ATOM 312 N LEU A 42 16.615 17.369 2.648 1.00 0.00 N
314
+ ATOM 313 CA LEU A 42 17.977 16.868 2.799 1.00 0.00 C
315
+ ATOM 314 C LEU A 42 18.601 17.374 4.095 1.00 0.00 C
316
+ ATOM 315 CB LEU A 42 18.839 17.287 1.606 1.00 0.00 C
317
+ ATOM 316 O LEU A 42 18.766 18.582 4.280 1.00 0.00 O
318
+ ATOM 317 CG LEU A 42 20.332 16.975 1.705 1.00 0.00 C
319
+ ATOM 318 CD1 LEU A 42 20.562 15.468 1.653 1.00 0.00 C
320
+ ATOM 319 CD2 LEU A 42 21.101 17.676 0.590 1.00 0.00 C
321
+ ATOM 320 N CYS A 43 18.921 16.500 4.970 1.00 0.00 N
322
+ ATOM 321 CA CYS A 43 19.500 16.852 6.262 1.00 0.00 C
323
+ ATOM 322 C CYS A 43 20.945 16.379 6.358 1.00 0.00 C
324
+ ATOM 323 CB CYS A 43 18.677 16.245 7.399 1.00 0.00 C
325
+ ATOM 324 O CYS A 43 21.250 15.229 6.035 1.00 0.00 O
326
+ ATOM 325 SG CYS A 43 16.937 16.728 7.377 1.00 0.00 S
327
+ ATOM 326 N VAL A 44 21.795 17.244 6.828 1.00 0.00 N
328
+ ATOM 327 CA VAL A 44 23.210 16.899 6.913 1.00 0.00 C
329
+ ATOM 328 C VAL A 44 23.802 17.460 8.203 1.00 0.00 C
330
+ ATOM 329 CB VAL A 44 23.997 17.427 5.692 1.00 0.00 C
331
+ ATOM 330 O VAL A 44 23.463 18.571 8.619 1.00 0.00 O
332
+ ATOM 331 CG1 VAL A 44 23.885 18.946 5.593 1.00 0.00 C
333
+ ATOM 332 CG2 VAL A 44 25.461 16.999 5.776 1.00 0.00 C
334
+ ATOM 333 N SER A 45 24.709 16.684 8.849 1.00 0.00 N
335
+ ATOM 334 CA SER A 45 25.337 17.102 10.098 1.00 0.00 C
336
+ ATOM 335 C SER A 45 26.625 17.876 9.838 1.00 0.00 C
337
+ ATOM 336 CB SER A 45 25.631 15.889 10.982 1.00 0.00 C
338
+ ATOM 337 O SER A 45 27.439 17.473 9.005 1.00 0.00 O
339
+ ATOM 338 OG SER A 45 26.524 15.000 10.335 1.00 0.00 O
340
+ ATOM 339 N PHE A 46 26.773 18.998 10.535 1.00 0.00 N
341
+ ATOM 340 CA PHE A 46 27.970 19.829 10.492 1.00 0.00 C
342
+ ATOM 341 C PHE A 46 28.167 20.563 11.814 1.00 0.00 C
343
+ ATOM 342 CB PHE A 46 27.886 20.836 9.341 1.00 0.00 C
344
+ ATOM 343 O PHE A 46 27.269 21.268 12.279 1.00 0.00 O
345
+ ATOM 344 CG PHE A 46 29.106 21.706 9.205 1.00 0.00 C
346
+ ATOM 345 CD1 PHE A 46 30.345 21.149 8.913 1.00 0.00 C
347
+ ATOM 346 CD2 PHE A 46 29.014 23.083 9.367 1.00 0.00 C
348
+ ATOM 347 CE1 PHE A 46 31.476 21.952 8.787 1.00 0.00 C
349
+ ATOM 348 CE2 PHE A 46 30.140 23.892 9.242 1.00 0.00 C
350
+ ATOM 349 CZ PHE A 46 31.370 23.324 8.953 1.00 0.00 C
351
+ ATOM 350 N LYS A 47 29.343 20.313 12.409 1.00 0.00 N
352
+ ATOM 351 CA LYS A 47 29.713 20.963 13.663 1.00 0.00 C
353
+ ATOM 352 C LYS A 47 28.647 20.741 14.733 1.00 0.00 C
354
+ ATOM 353 CB LYS A 47 29.932 22.462 13.447 1.00 0.00 C
355
+ ATOM 354 O LYS A 47 28.206 21.690 15.385 1.00 0.00 O
356
+ ATOM 355 CG LYS A 47 31.144 22.791 12.587 1.00 0.00 C
357
+ ATOM 356 CD LYS A 47 31.433 24.286 12.579 1.00 0.00 C
358
+ ATOM 357 CE LYS A 47 32.713 24.606 11.817 1.00 0.00 C
359
+ ATOM 358 NZ LYS A 47 33.014 26.067 11.827 1.00 0.00 N
360
+ ATOM 359 N LYS A 48 28.157 19.566 14.831 1.00 0.00 N
361
+ ATOM 360 CA LYS A 48 27.239 19.087 15.861 1.00 0.00 C
362
+ ATOM 361 C LYS A 48 25.844 19.677 15.671 1.00 0.00 C
363
+ ATOM 362 CB LYS A 48 27.769 19.432 17.254 1.00 0.00 C
364
+ ATOM 363 O LYS A 48 25.027 19.660 16.594 1.00 0.00 O
365
+ ATOM 364 CG LYS A 48 29.096 18.770 17.593 1.00 0.00 C
366
+ ATOM 365 CD LYS A 48 29.548 19.117 19.005 1.00 0.00 C
367
+ ATOM 366 CE LYS A 48 30.892 18.479 19.336 1.00 0.00 C
368
+ ATOM 367 NZ LYS A 48 31.358 18.847 20.705 1.00 0.00 N
369
+ ATOM 368 N LEU A 49 25.610 20.314 14.503 1.00 0.00 N
370
+ ATOM 369 CA LEU A 49 24.292 20.815 14.130 1.00 0.00 C
371
+ ATOM 370 C LEU A 49 23.777 20.110 12.879 1.00 0.00 C
372
+ ATOM 371 CB LEU A 49 24.342 22.327 13.894 1.00 0.00 C
373
+ ATOM 372 O LEU A 49 24.565 19.590 12.085 1.00 0.00 O
374
+ ATOM 373 CG LEU A 49 24.739 23.187 15.095 1.00 0.00 C
375
+ ATOM 374 CD1 LEU A 49 24.990 24.626 14.655 1.00 0.00 C
376
+ ATOM 375 CD2 LEU A 49 23.660 23.133 16.172 1.00 0.00 C
377
+ ATOM 376 N VAL A 50 22.489 20.089 12.746 1.00 0.00 N
378
+ ATOM 377 CA VAL A 50 21.864 19.544 11.545 1.00 0.00 C
379
+ ATOM 378 C VAL A 50 21.375 20.684 10.656 1.00 0.00 C
380
+ ATOM 379 CB VAL A 50 20.694 18.597 11.894 1.00 0.00 C
381
+ ATOM 380 O VAL A 50 20.643 21.566 11.112 1.00 0.00 O
382
+ ATOM 381 CG1 VAL A 50 19.963 18.155 10.627 1.00 0.00 C
383
+ ATOM 382 CG2 VAL A 50 21.201 17.386 12.672 1.00 0.00 C
384
+ ATOM 383 N TYR A 51 21.800 20.755 9.484 1.00 0.00 N
385
+ ATOM 384 CA TYR A 51 21.340 21.681 8.456 1.00 0.00 C
386
+ ATOM 385 C TYR A 51 20.346 21.005 7.518 1.00 0.00 C
387
+ ATOM 386 CB TYR A 51 22.525 22.227 7.653 1.00 0.00 C
388
+ ATOM 387 O TYR A 51 20.564 19.872 7.085 1.00 0.00 O
389
+ ATOM 388 CG TYR A 51 23.431 23.133 8.450 1.00 0.00 C
390
+ ATOM 389 CD1 TYR A 51 23.329 24.519 8.347 1.00 0.00 C
391
+ ATOM 390 CD2 TYR A 51 24.392 22.607 9.307 1.00 0.00 C
392
+ ATOM 391 CE1 TYR A 51 24.163 25.358 9.077 1.00 0.00 C
393
+ ATOM 392 CE2 TYR A 51 25.231 23.437 10.043 1.00 0.00 C
394
+ ATOM 393 OH TYR A 51 25.938 25.635 10.648 1.00 0.00 O
395
+ ATOM 394 CZ TYR A 51 25.109 24.809 9.922 1.00 0.00 C
396
+ ATOM 395 N SER A 52 19.312 21.654 7.215 1.00 0.00 N
397
+ ATOM 396 CA SER A 52 18.245 21.106 6.384 1.00 0.00 C
398
+ ATOM 397 C SER A 52 18.022 21.957 5.138 1.00 0.00 C
399
+ ATOM 398 CB SER A 52 16.943 21.004 7.181 1.00 0.00 C
400
+ ATOM 399 O SER A 52 17.999 23.187 5.216 1.00 0.00 O
401
+ ATOM 400 OG SER A 52 17.101 20.143 8.295 1.00 0.00 O
402
+ ATOM 401 N TYR A 53 17.951 21.328 4.062 1.00 0.00 N
403
+ ATOM 402 CA TYR A 53 17.677 21.961 2.776 1.00 0.00 C
404
+ ATOM 403 C TYR A 53 16.414 21.387 2.144 1.00 0.00 C
405
+ ATOM 404 CB TYR A 53 18.864 21.785 1.825 1.00 0.00 C
406
+ ATOM 405 O TYR A 53 16.286 20.170 1.995 1.00 0.00 O
407
+ ATOM 406 CG TYR A 53 20.161 22.338 2.363 1.00 0.00 C
408
+ ATOM 407 CD1 TYR A 53 20.530 23.659 2.124 1.00 0.00 C
409
+ ATOM 408 CD2 TYR A 53 21.020 21.542 3.113 1.00 0.00 C
410
+ ATOM 409 CE1 TYR A 53 21.725 24.174 2.616 1.00 0.00 C
411
+ ATOM 410 CE2 TYR A 53 22.218 22.044 3.610 1.00 0.00 C
412
+ ATOM 411 OH TYR A 53 23.745 23.863 3.846 1.00 0.00 O
413
+ ATOM 412 CZ TYR A 53 22.561 23.360 3.357 1.00 0.00 C
414
+ ATOM 413 N ARG A 54 15.541 22.191 1.688 1.00 0.00 N
415
+ ATOM 414 CA ARG A 54 14.290 21.727 1.096 1.00 0.00 C
416
+ ATOM 415 C ARG A 54 14.494 21.311 -0.356 1.00 0.00 C
417
+ ATOM 416 CB ARG A 54 13.217 22.814 1.184 1.00 0.00 C
418
+ ATOM 417 O ARG A 54 15.221 21.973 -1.101 1.00 0.00 O
419
+ ATOM 418 CG ARG A 54 12.598 22.958 2.566 1.00 0.00 C
420
+ ATOM 419 CD ARG A 54 11.499 24.011 2.585 1.00 0.00 C
421
+ ATOM 420 NE ARG A 54 10.896 24.136 3.908 1.00 0.00 N
422
+ ATOM 421 NH1 ARG A 54 10.541 26.414 3.757 1.00 0.00 N
423
+ ATOM 422 NH2 ARG A 54 9.923 25.277 5.648 1.00 0.00 N
424
+ ATOM 423 CZ ARG A 54 10.455 25.275 4.435 1.00 0.00 C
425
+ ATOM 424 N ILE A 55 13.842 20.227 -0.694 1.00 0.00 N
426
+ ATOM 425 CA ILE A 55 13.813 19.698 -2.053 1.00 0.00 C
427
+ ATOM 426 C ILE A 55 12.378 19.700 -2.576 1.00 0.00 C
428
+ ATOM 427 CB ILE A 55 14.405 18.272 -2.118 1.00 0.00 C
429
+ ATOM 428 O ILE A 55 11.476 19.154 -1.934 1.00 0.00 O
430
+ ATOM 429 CG1 ILE A 55 15.823 18.256 -1.536 1.00 0.00 C
431
+ ATOM 430 CG2 ILE A 55 14.399 17.751 -3.558 1.00 0.00 C
432
+ ATOM 431 CD1 ILE A 55 16.330 16.866 -1.178 1.00 0.00 C
433
+ ATOM 432 N PHE A 56 12.213 20.258 -3.718 1.00 0.00 N
434
+ ATOM 433 CA PHE A 56 10.895 20.307 -4.343 1.00 0.00 C
435
+ ATOM 434 C PHE A 56 10.870 19.470 -5.617 1.00 0.00 C
436
+ ATOM 435 CB PHE A 56 10.501 21.754 -4.658 1.00 0.00 C
437
+ ATOM 436 O PHE A 56 11.858 19.420 -6.353 1.00 0.00 O
438
+ ATOM 437 CG PHE A 56 10.397 22.632 -3.440 1.00 0.00 C
439
+ ATOM 438 CD1 PHE A 56 9.233 22.659 -2.682 1.00 0.00 C
440
+ ATOM 439 CD2 PHE A 56 11.465 23.432 -3.053 1.00 0.00 C
441
+ ATOM 440 CE1 PHE A 56 9.133 23.471 -1.555 1.00 0.00 C
442
+ ATOM 441 CE2 PHE A 56 11.373 24.246 -1.928 1.00 0.00 C
443
+ ATOM 442 CZ PHE A 56 10.206 24.265 -1.181 1.00 0.00 C
444
+ ATOM 443 N ARG A 57 9.799 18.805 -5.775 1.00 0.00 N
445
+ ATOM 444 CA ARG A 57 9.562 18.111 -7.038 1.00 0.00 C
446
+ ATOM 445 C ARG A 57 8.982 19.059 -8.082 1.00 0.00 C
447
+ ATOM 446 CB ARG A 57 8.623 16.921 -6.830 1.00 0.00 C
448
+ ATOM 447 O ARG A 57 7.985 19.737 -7.827 1.00 0.00 O
449
+ ATOM 448 CG ARG A 57 8.630 15.924 -7.978 1.00 0.00 C
450
+ ATOM 449 CD ARG A 57 7.877 14.650 -7.623 1.00 0.00 C
451
+ ATOM 450 NE ARG A 57 7.987 13.645 -8.677 1.00 0.00 N
452
+ ATOM 451 NH1 ARG A 57 5.854 12.808 -8.389 1.00 0.00 N
453
+ ATOM 452 NH2 ARG A 57 7.231 11.922 -9.992 1.00 0.00 N
454
+ ATOM 453 CZ ARG A 57 7.024 12.795 -9.018 1.00 0.00 C
455
+ ATOM 454 N GLU A 58 9.675 19.099 -9.178 1.00 0.00 N
456
+ ATOM 455 CA GLU A 58 9.245 19.956 -10.278 1.00 0.00 C
457
+ ATOM 456 C GLU A 58 8.462 19.165 -11.322 1.00 0.00 C
458
+ ATOM 457 CB GLU A 58 10.450 20.639 -10.932 1.00 0.00 C
459
+ ATOM 458 O GLU A 58 8.271 17.956 -11.177 1.00 0.00 O
460
+ ATOM 459 CG GLU A 58 11.177 21.612 -10.015 1.00 0.00 C
461
+ ATOM 460 CD GLU A 58 10.423 22.916 -9.805 1.00 0.00 C
462
+ ATOM 461 OE1 GLU A 58 9.575 23.271 -10.656 1.00 0.00 O
463
+ ATOM 462 OE2 GLU A 58 10.683 23.590 -8.783 1.00 0.00 O
464
+ ATOM 463 N LYS A 59 8.031 19.863 -12.387 1.00 0.00 N
465
+ ATOM 464 CA LYS A 59 7.366 19.245 -13.532 1.00 0.00 C
466
+ ATOM 465 C LYS A 59 8.275 18.221 -14.206 1.00 0.00 C
467
+ ATOM 466 CB LYS A 59 6.936 20.309 -14.542 1.00 0.00 C
468
+ ATOM 467 O LYS A 59 9.500 18.352 -14.171 1.00 0.00 O
469
+ ATOM 468 CG LYS A 59 5.859 21.252 -14.026 1.00 0.00 C
470
+ ATOM 469 CD LYS A 59 5.380 22.203 -15.115 1.00 0.00 C
471
+ ATOM 470 CE LYS A 59 4.300 23.147 -14.600 1.00 0.00 C
472
+ ATOM 471 NZ LYS A 59 3.870 24.120 -15.648 1.00 0.00 N
473
+ ATOM 472 N HIS A 60 7.725 17.146 -14.612 1.00 0.00 N
474
+ ATOM 473 CA HIS A 60 8.369 16.067 -15.351 1.00 0.00 C
475
+ ATOM 474 C HIS A 60 9.237 15.211 -14.434 1.00 0.00 C
476
+ ATOM 475 CB HIS A 60 9.213 16.631 -16.495 1.00 0.00 C
477
+ ATOM 476 O HIS A 60 10.111 14.481 -14.904 1.00 0.00 O
478
+ ATOM 477 CG HIS A 60 8.432 17.461 -17.464 1.00 0.00 C
479
+ ATOM 478 CD2 HIS A 60 8.505 18.777 -17.768 1.00 0.00 C
480
+ ATOM 479 ND1 HIS A 60 7.431 16.937 -18.254 1.00 0.00 N
481
+ ATOM 480 CE1 HIS A 60 6.920 17.899 -19.003 1.00 0.00 C
482
+ ATOM 481 NE2 HIS A 60 7.555 19.027 -18.728 1.00 0.00 N
483
+ ATOM 482 N GLY A 61 9.061 15.401 -13.129 1.00 0.00 N
484
+ ATOM 483 CA GLY A 61 9.683 14.471 -12.201 1.00 0.00 C
485
+ ATOM 484 C GLY A 61 11.059 14.914 -11.742 1.00 0.00 C
486
+ ATOM 485 O GLY A 61 11.791 14.142 -11.119 1.00 0.00 O
487
+ ATOM 486 N TYR A 62 11.416 16.166 -12.075 1.00 0.00 N
488
+ ATOM 487 CA TYR A 62 12.712 16.686 -11.654 1.00 0.00 C
489
+ ATOM 488 C TYR A 62 12.654 17.199 -10.220 1.00 0.00 C
490
+ ATOM 489 CB TYR A 62 13.173 17.807 -12.590 1.00 0.00 C
491
+ ATOM 490 O TYR A 62 11.577 17.522 -9.713 1.00 0.00 O
492
+ ATOM 491 CG TYR A 62 13.604 17.320 -13.953 1.00 0.00 C
493
+ ATOM 492 CD1 TYR A 62 14.919 16.927 -14.191 1.00 0.00 C
494
+ ATOM 493 CD2 TYR A 62 12.697 17.255 -15.005 1.00 0.00 C
495
+ ATOM 494 CE1 TYR A 62 15.320 16.479 -15.445 1.00 0.00 C
496
+ ATOM 495 CE2 TYR A 62 13.087 16.809 -16.264 1.00 0.00 C
497
+ ATOM 496 OH TYR A 62 14.790 15.982 -17.718 1.00 0.00 O
498
+ ATOM 497 CZ TYR A 62 14.399 16.424 -16.474 1.00 0.00 C
499
+ ATOM 498 N TYR A 63 13.823 17.222 -9.569 1.00 0.00 N
500
+ ATOM 499 CA TYR A 63 13.948 17.713 -8.201 1.00 0.00 C
501
+ ATOM 500 C TYR A 63 14.761 19.003 -8.156 1.00 0.00 C
502
+ ATOM 501 CB TYR A 63 14.600 16.654 -7.307 1.00 0.00 C
503
+ ATOM 502 O TYR A 63 15.783 19.123 -8.836 1.00 0.00 O
504
+ ATOM 503 CG TYR A 63 13.766 15.409 -7.134 1.00 0.00 C
505
+ ATOM 504 CD1 TYR A 63 12.820 15.316 -6.115 1.00 0.00 C
506
+ ATOM 505 CD2 TYR A 63 13.920 14.322 -7.988 1.00 0.00 C
507
+ ATOM 506 CE1 TYR A 63 12.050 14.171 -5.950 1.00 0.00 C
508
+ ATOM 507 CE2 TYR A 63 13.155 13.171 -7.833 1.00 0.00 C
509
+ ATOM 508 OH TYR A 63 11.463 11.967 -6.655 1.00 0.00 O
510
+ ATOM 509 CZ TYR A 63 12.224 13.104 -6.813 1.00 0.00 C
511
+ ATOM 510 N ARG A 64 14.295 19.879 -7.373 1.00 0.00 N
512
+ ATOM 511 CA ARG A 64 14.979 21.148 -7.151 1.00 0.00 C
513
+ ATOM 512 C ARG A 64 15.358 21.315 -5.682 1.00 0.00 C
514
+ ATOM 513 CB ARG A 64 14.102 22.319 -7.601 1.00 0.00 C
515
+ ATOM 514 O ARG A 64 14.548 21.048 -4.793 1.00 0.00 O
516
+ ATOM 515 CG ARG A 64 14.732 23.684 -7.375 1.00 0.00 C
517
+ ATOM 516 CD ARG A 64 13.857 24.806 -7.917 1.00 0.00 C
518
+ ATOM 517 NE ARG A 64 12.554 24.839 -7.258 1.00 0.00 N
519
+ ATOM 518 NH1 ARG A 64 13.303 25.953 -5.378 1.00 0.00 N
520
+ ATOM 519 NH2 ARG A 64 11.097 25.358 -5.560 1.00 0.00 N
521
+ ATOM 520 CZ ARG A 64 12.321 25.383 -6.066 1.00 0.00 C
522
+ ATOM 521 N ILE A 65 16.590 21.713 -5.442 1.00 0.00 N
523
+ ATOM 522 CA ILE A 65 17.030 21.957 -4.073 1.00 0.00 C
524
+ ATOM 523 C ILE A 65 17.358 23.437 -3.891 1.00 0.00 C
525
+ ATOM 524 CB ILE A 65 18.254 21.088 -3.709 1.00 0.00 C
526
+ ATOM 525 O ILE A 65 17.943 24.062 -4.778 1.00 0.00 O
527
+ ATOM 526 CG1 ILE A 65 18.630 21.282 -2.236 1.00 0.00 C
528
+ ATOM 527 CG2 ILE A 65 19.438 21.414 -4.624 1.00 0.00 C
529
+ ATOM 528 CD1 ILE A 65 19.606 20.242 -1.703 1.00 0.00 C
530
+ ATOM 529 N GLU A 66 16.981 23.980 -2.772 1.00 0.00 N
531
+ ATOM 530 CA GLU A 66 17.211 25.375 -2.407 1.00 0.00 C
532
+ ATOM 531 C GLU A 66 18.328 25.500 -1.374 1.00 0.00 C
533
+ ATOM 532 CB GLU A 66 15.925 26.008 -1.870 1.00 0.00 C
534
+ ATOM 533 O GLU A 66 18.147 25.132 -0.211 1.00 0.00 O
535
+ ATOM 534 CG GLU A 66 14.845 26.197 -2.926 1.00 0.00 C
536
+ ATOM 535 CD GLU A 66 13.598 26.886 -2.392 1.00 0.00 C
537
+ ATOM 536 OE1 GLU A 66 13.486 27.068 -1.158 1.00 0.00 O
538
+ ATOM 537 OE2 GLU A 66 12.727 27.246 -3.215 1.00 0.00 O
539
+ ATOM 538 N THR A 67 19.568 25.940 -1.744 1.00 0.00 N
540
+ ATOM 539 CA THR A 67 20.687 26.011 -0.810 1.00 0.00 C
541
+ ATOM 540 C THR A 67 20.865 27.433 -0.286 1.00 0.00 C
542
+ ATOM 541 CB THR A 67 21.995 25.536 -1.468 1.00 0.00 C
543
+ ATOM 542 O THR A 67 21.267 27.632 0.863 1.00 0.00 O
544
+ ATOM 543 CG2 THR A 67 21.924 24.055 -1.829 1.00 0.00 C
545
+ ATOM 544 OG1 THR A 67 22.228 26.296 -2.660 1.00 0.00 O
546
+ ATOM 545 N ASP A 68 20.685 28.472 -1.050 1.00 0.00 N
547
+ ATOM 546 CA ASP A 68 20.771 29.885 -0.695 1.00 0.00 C
548
+ ATOM 547 C ASP A 68 19.971 30.747 -1.670 1.00 0.00 C
549
+ ATOM 548 CB ASP A 68 22.231 30.342 -0.664 1.00 0.00 C
550
+ ATOM 549 O ASP A 68 19.614 30.292 -2.759 1.00 0.00 O
551
+ ATOM 550 CG ASP A 68 22.883 30.336 -2.035 1.00 0.00 C
552
+ ATOM 551 OD1 ASP A 68 22.261 30.810 -3.009 1.00 0.00 O
553
+ ATOM 552 OD2 ASP A 68 24.030 29.848 -2.142 1.00 0.00 O
554
+ ATOM 553 N ALA A 69 19.546 31.843 -1.190 1.00 0.00 N
555
+ ATOM 554 CA ALA A 69 18.681 32.735 -1.958 1.00 0.00 C
556
+ ATOM 555 C ALA A 69 19.377 33.215 -3.228 1.00 0.00 C
557
+ ATOM 556 CB ALA A 69 18.254 33.927 -1.105 1.00 0.00 C
558
+ ATOM 557 O ALA A 69 18.719 33.608 -4.194 1.00 0.00 O
559
+ ATOM 558 N HIS A 70 20.692 33.140 -3.248 1.00 0.00 N
560
+ ATOM 559 CA HIS A 70 21.433 33.799 -4.318 1.00 0.00 C
561
+ ATOM 560 C HIS A 70 22.005 32.781 -5.299 1.00 0.00 C
562
+ ATOM 561 CB HIS A 70 22.558 34.659 -3.739 1.00 0.00 C
563
+ ATOM 562 O HIS A 70 22.621 33.156 -6.301 1.00 0.00 O
564
+ ATOM 563 CG HIS A 70 22.076 35.744 -2.829 1.00 0.00 C
565
+ ATOM 564 CD2 HIS A 70 22.316 35.975 -1.517 1.00 0.00 C
566
+ ATOM 565 ND1 HIS A 70 21.236 36.751 -3.251 1.00 0.00 N
567
+ ATOM 566 CE1 HIS A 70 20.980 37.558 -2.236 1.00 0.00 C
568
+ ATOM 567 NE2 HIS A 70 21.623 37.109 -1.171 1.00 0.00 N
569
+ ATOM 568 N THR A 71 21.891 31.545 -5.093 1.00 0.00 N
570
+ ATOM 569 CA THR A 71 22.438 30.541 -5.998 1.00 0.00 C
571
+ ATOM 570 C THR A 71 21.368 30.045 -6.966 1.00 0.00 C
572
+ ATOM 571 CB THR A 71 23.021 29.347 -5.219 1.00 0.00 C
573
+ ATOM 572 O THR A 71 20.193 29.953 -6.608 1.00 0.00 O
574
+ ATOM 573 CG2 THR A 71 23.869 28.460 -6.126 1.00 0.00 C
575
+ ATOM 574 OG1 THR A 71 23.838 29.836 -4.148 1.00 0.00 O
576
+ ATOM 575 N PRO A 72 21.754 29.950 -8.244 1.00 0.00 N
577
+ ATOM 576 CA PRO A 72 20.798 29.396 -9.207 1.00 0.00 C
578
+ ATOM 577 C PRO A 72 20.225 28.054 -8.762 1.00 0.00 C
579
+ ATOM 578 CB PRO A 72 21.633 29.239 -10.481 1.00 0.00 C
580
+ ATOM 579 O PRO A 72 20.917 27.267 -8.112 1.00 0.00 O
581
+ ATOM 580 CG PRO A 72 22.902 29.979 -10.201 1.00 0.00 C
582
+ ATOM 581 CD PRO A 72 23.031 30.158 -8.716 1.00 0.00 C
583
+ ATOM 582 N ARG A 73 18.957 27.976 -8.946 1.00 0.00 N
584
+ ATOM 583 CA ARG A 73 18.268 26.716 -8.688 1.00 0.00 C
585
+ ATOM 584 C ARG A 73 18.924 25.567 -9.446 1.00 0.00 C
586
+ ATOM 585 CB ARG A 73 16.790 26.821 -9.071 1.00 0.00 C
587
+ ATOM 586 O ARG A 73 19.201 25.685 -10.642 1.00 0.00 O
588
+ ATOM 587 CG ARG A 73 16.005 27.813 -8.228 1.00 0.00 C
589
+ ATOM 588 CD ARG A 73 14.572 27.959 -8.719 1.00 0.00 C
590
+ ATOM 589 NE ARG A 73 13.840 28.967 -7.957 1.00 0.00 N
591
+ ATOM 590 NH1 ARG A 73 12.151 29.218 -9.512 1.00 0.00 N
592
+ ATOM 591 NH2 ARG A 73 12.125 30.446 -7.578 1.00 0.00 N
593
+ ATOM 592 CZ ARG A 73 12.707 29.541 -8.351 1.00 0.00 C
594
+ ATOM 593 N THR A 74 19.308 24.624 -8.707 1.00 0.00 N
595
+ ATOM 594 CA THR A 74 19.860 23.432 -9.342 1.00 0.00 C
596
+ ATOM 595 C THR A 74 18.806 22.334 -9.439 1.00 0.00 C
597
+ ATOM 596 CB THR A 74 21.084 22.906 -8.571 1.00 0.00 C
598
+ ATOM 597 O THR A 74 18.105 22.049 -8.464 1.00 0.00 O
599
+ ATOM 598 CG2 THR A 74 21.788 21.797 -9.347 1.00 0.00 C
600
+ ATOM 599 OG1 THR A 74 22.006 23.982 -8.357 1.00 0.00 O
601
+ ATOM 600 N ILE A 75 18.604 21.901 -10.644 1.00 0.00 N
602
+ ATOM 601 CA ILE A 75 17.589 20.885 -10.904 1.00 0.00 C
603
+ ATOM 602 C ILE A 75 18.262 19.545 -11.192 1.00 0.00 C
604
+ ATOM 603 CB ILE A 75 16.674 21.290 -12.083 1.00 0.00 C
605
+ ATOM 604 O ILE A 75 19.294 19.493 -11.865 1.00 0.00 O
606
+ ATOM 605 CG1 ILE A 75 15.974 22.620 -11.783 1.00 0.00 C
607
+ ATOM 606 CG2 ILE A 75 15.653 20.187 -12.376 1.00 0.00 C
608
+ ATOM 607 CD1 ILE A 75 15.153 23.162 -12.944 1.00 0.00 C
609
+ ATOM 608 N PHE A 76 17.618 18.514 -10.664 1.00 0.00 N
610
+ ATOM 609 CA PHE A 76 18.152 17.165 -10.814 1.00 0.00 C
611
+ ATOM 610 C PHE A 76 17.079 16.212 -11.328 1.00 0.00 C
612
+ ATOM 611 CB PHE A 76 18.711 16.656 -9.482 1.00 0.00 C
613
+ ATOM 612 O PHE A 76 15.910 16.324 -10.951 1.00 0.00 O
614
+ ATOM 613 CG PHE A 76 19.795 17.527 -8.906 1.00 0.00 C
615
+ ATOM 614 CD1 PHE A 76 21.133 17.274 -9.186 1.00 0.00 C
616
+ ATOM 615 CD2 PHE A 76 19.476 18.601 -8.085 1.00 0.00 C
617
+ ATOM 616 CE1 PHE A 76 22.137 18.079 -8.654 1.00 0.00 C
618
+ ATOM 617 CE2 PHE A 76 20.474 19.410 -7.551 1.00 0.00 C
619
+ ATOM 618 CZ PHE A 76 21.804 19.146 -7.835 1.00 0.00 C
620
+ ATOM 619 N PRO A 77 17.480 15.267 -12.240 1.00 0.00 N
621
+ ATOM 620 CA PRO A 77 16.496 14.312 -12.756 1.00 0.00 C
622
+ ATOM 621 C PRO A 77 16.001 13.339 -11.690 1.00 0.00 C
623
+ ATOM 622 CB PRO A 77 17.266 13.574 -13.854 1.00 0.00 C
624
+ ATOM 623 O PRO A 77 14.929 12.747 -11.838 1.00 0.00 O
625
+ ATOM 624 CG PRO A 77 18.705 13.752 -13.498 1.00 0.00 C
626
+ ATOM 625 CD PRO A 77 18.869 15.084 -12.824 1.00 0.00 C
627
+ ATOM 626 N ASN A 78 16.834 13.122 -10.701 1.00 0.00 N
628
+ ATOM 627 CA ASN A 78 16.462 12.253 -9.590 1.00 0.00 C
629
+ ATOM 628 C ASN A 78 17.280 12.561 -8.339 1.00 0.00 C
630
+ ATOM 629 CB ASN A 78 16.621 10.782 -9.981 1.00 0.00 C
631
+ ATOM 630 O ASN A 78 18.259 13.306 -8.401 1.00 0.00 O
632
+ ATOM 631 CG ASN A 78 18.032 10.445 -10.420 1.00 0.00 C
633
+ ATOM 632 ND2 ASN A 78 18.172 9.972 -11.652 1.00 0.00 N
634
+ ATOM 633 OD1 ASN A 78 18.988 10.606 -9.656 1.00 0.00 O
635
+ ATOM 634 N LEU A 79 16.857 12.053 -7.232 1.00 0.00 N
636
+ ATOM 635 CA LEU A 79 17.490 12.347 -5.951 1.00 0.00 C
637
+ ATOM 636 C LEU A 79 18.911 11.795 -5.909 1.00 0.00 C
638
+ ATOM 637 CB LEU A 79 16.668 11.760 -4.800 1.00 0.00 C
639
+ ATOM 638 O LEU A 79 19.784 12.367 -5.251 1.00 0.00 O
640
+ ATOM 639 CG LEU A 79 15.298 12.394 -4.553 1.00 0.00 C
641
+ ATOM 640 CD1 LEU A 79 14.536 11.612 -3.490 1.00 0.00 C
642
+ ATOM 641 CD2 LEU A 79 15.450 13.855 -4.144 1.00 0.00 C
643
+ ATOM 642 N GLN A 80 19.203 10.657 -6.608 1.00 0.00 N
644
+ ATOM 643 CA GLN A 80 20.540 10.074 -6.651 1.00 0.00 C
645
+ ATOM 644 C GLN A 80 21.545 11.047 -7.261 1.00 0.00 C
646
+ ATOM 645 CB GLN A 80 20.530 8.765 -7.440 1.00 0.00 C
647
+ ATOM 646 O GLN A 80 22.650 11.214 -6.741 1.00 0.00 O
648
+ ATOM 647 CG GLN A 80 21.845 7.999 -7.376 1.00 0.00 C
649
+ ATOM 648 CD GLN A 80 22.107 7.398 -6.007 1.00 0.00 C
650
+ ATOM 649 NE2 GLN A 80 23.381 7.265 -5.653 1.00 0.00 N
651
+ ATOM 650 OE1 GLN A 80 21.174 7.058 -5.274 1.00 0.00 O
652
+ ATOM 651 N GLU A 81 21.139 11.664 -8.313 1.00 0.00 N
653
+ ATOM 652 CA GLU A 81 22.019 12.639 -8.952 1.00 0.00 C
654
+ ATOM 653 C GLU A 81 22.248 13.850 -8.052 1.00 0.00 C
655
+ ATOM 654 CB GLU A 81 21.440 13.085 -10.297 1.00 0.00 C
656
+ ATOM 655 O GLU A 81 23.332 14.436 -8.055 1.00 0.00 O
657
+ ATOM 656 CG GLU A 81 21.496 12.014 -11.376 1.00 0.00 C
658
+ ATOM 657 CD GLU A 81 22.914 11.649 -11.785 1.00 0.00 C
659
+ ATOM 658 OE1 GLU A 81 23.778 12.553 -11.857 1.00 0.00 O
660
+ ATOM 659 OE2 GLU A 81 23.164 10.449 -12.037 1.00 0.00 O
661
+ ATOM 660 N LEU A 82 21.175 14.216 -7.375 1.00 0.00 N
662
+ ATOM 661 CA LEU A 82 21.318 15.302 -6.411 1.00 0.00 C
663
+ ATOM 662 C LEU A 82 22.352 14.951 -5.346 1.00 0.00 C
664
+ ATOM 663 CB LEU A 82 19.973 15.613 -5.751 1.00 0.00 C
665
+ ATOM 664 O LEU A 82 23.285 15.719 -5.103 1.00 0.00 O
666
+ ATOM 665 CG LEU A 82 19.960 16.770 -4.750 1.00 0.00 C
667
+ ATOM 666 CD1 LEU A 82 18.567 17.387 -4.671 1.00 0.00 C
668
+ ATOM 667 CD2 LEU A 82 20.418 16.293 -3.376 1.00 0.00 C
669
+ ATOM 668 N VAL A 83 22.275 13.822 -4.732 1.00 0.00 N
670
+ ATOM 669 CA VAL A 83 23.180 13.403 -3.667 1.00 0.00 C
671
+ ATOM 670 C VAL A 83 24.594 13.248 -4.223 1.00 0.00 C
672
+ ATOM 671 CB VAL A 83 22.717 12.082 -3.014 1.00 0.00 C
673
+ ATOM 672 O VAL A 83 25.573 13.581 -3.550 1.00 0.00 O
674
+ ATOM 673 CG1 VAL A 83 23.812 11.509 -2.116 1.00 0.00 C
675
+ ATOM 674 CG2 VAL A 83 21.432 12.303 -2.218 1.00 0.00 C
676
+ ATOM 675 N SER A 84 24.687 12.776 -5.448 1.00 0.00 N
677
+ ATOM 676 CA SER A 84 25.997 12.634 -6.076 1.00 0.00 C
678
+ ATOM 677 C SER A 84 26.680 13.987 -6.245 1.00 0.00 C
679
+ ATOM 678 CB SER A 84 25.868 11.945 -7.435 1.00 0.00 C
680
+ ATOM 679 O SER A 84 27.862 14.135 -5.932 1.00 0.00 O
681
+ ATOM 680 OG SER A 84 27.140 11.784 -8.039 1.00 0.00 O
682
+ ATOM 681 N LYS A 85 25.975 14.994 -6.727 1.00 0.00 N
683
+ ATOM 682 CA LYS A 85 26.533 16.334 -6.893 1.00 0.00 C
684
+ ATOM 683 C LYS A 85 27.025 16.893 -5.562 1.00 0.00 C
685
+ ATOM 684 CB LYS A 85 25.495 17.275 -7.507 1.00 0.00 C
686
+ ATOM 685 O LYS A 85 28.133 17.426 -5.478 1.00 0.00 O
687
+ ATOM 686 CG LYS A 85 25.956 18.721 -7.610 1.00 0.00 C
688
+ ATOM 687 CD LYS A 85 24.996 19.556 -8.447 1.00 0.00 C
689
+ ATOM 688 CE LYS A 85 25.468 20.998 -8.569 1.00 0.00 C
690
+ ATOM 689 NZ LYS A 85 25.578 21.426 -9.996 1.00 0.00 N
691
+ ATOM 690 N TYR A 86 26.247 16.734 -4.535 1.00 0.00 N
692
+ ATOM 691 CA TYR A 86 26.560 17.382 -3.266 1.00 0.00 C
693
+ ATOM 692 C TYR A 86 27.413 16.476 -2.387 1.00 0.00 C
694
+ ATOM 693 CB TYR A 86 25.275 17.768 -2.528 1.00 0.00 C
695
+ ATOM 694 O TYR A 86 27.719 16.820 -1.242 1.00 0.00 O
696
+ ATOM 695 CG TYR A 86 24.566 18.959 -3.125 1.00 0.00 C
697
+ ATOM 696 CD1 TYR A 86 25.104 20.239 -3.020 1.00 0.00 C
698
+ ATOM 697 CD2 TYR A 86 23.357 18.807 -3.795 1.00 0.00 C
699
+ ATOM 698 CE1 TYR A 86 24.453 21.340 -3.566 1.00 0.00 C
700
+ ATOM 699 CE2 TYR A 86 22.697 19.901 -4.346 1.00 0.00 C
701
+ ATOM 700 OH TYR A 86 22.604 22.248 -4.770 1.00 0.00 O
702
+ ATOM 701 CZ TYR A 86 23.253 21.162 -4.226 1.00 0.00 C
703
+ ATOM 702 N GLY A 87 27.736 15.348 -2.890 1.00 0.00 N
704
+ ATOM 703 CA GLY A 87 28.725 14.478 -2.274 1.00 0.00 C
705
+ ATOM 704 C GLY A 87 30.153 14.923 -2.528 1.00 0.00 C
706
+ ATOM 705 O GLY A 87 31.086 14.423 -1.896 1.00 0.00 O
707
+ ATOM 706 N LYS A 88 30.218 15.862 -3.376 1.00 0.00 N
708
+ ATOM 707 CA LYS A 88 31.541 16.376 -3.716 1.00 0.00 C
709
+ ATOM 708 C LYS A 88 31.840 17.668 -2.962 1.00 0.00 C
710
+ ATOM 709 CB LYS A 88 31.656 16.611 -5.223 1.00 0.00 C
711
+ ATOM 710 O LYS A 88 30.929 18.442 -2.662 1.00 0.00 O
712
+ ATOM 711 CG LYS A 88 31.472 15.353 -6.061 1.00 0.00 C
713
+ ATOM 712 CD LYS A 88 31.564 15.657 -7.551 1.00 0.00 C
714
+ ATOM 713 CE LYS A 88 31.293 14.417 -8.393 1.00 0.00 C
715
+ ATOM 714 NZ LYS A 88 31.357 14.716 -9.855 1.00 0.00 N
716
+ ATOM 715 N PRO A 89 33.109 17.942 -2.615 1.00 0.00 N
717
+ ATOM 716 CA PRO A 89 33.441 19.215 -1.971 1.00 0.00 C
718
+ ATOM 717 C PRO A 89 33.198 20.418 -2.880 1.00 0.00 C
719
+ ATOM 718 CB PRO A 89 34.930 19.068 -1.647 1.00 0.00 C
720
+ ATOM 719 O PRO A 89 33.195 20.279 -4.106 1.00 0.00 O
721
+ ATOM 720 CG PRO A 89 35.212 17.608 -1.798 1.00 0.00 C
722
+ ATOM 721 CD PRO A 89 34.186 17.018 -2.723 1.00 0.00 C
723
+ ATOM 722 N GLY A 90 33.025 21.648 -2.259 1.00 0.00 N
724
+ ATOM 723 CA GLY A 90 32.900 22.896 -2.994 1.00 0.00 C
725
+ ATOM 724 C GLY A 90 31.590 23.015 -3.750 1.00 0.00 C
726
+ ATOM 725 O GLY A 90 31.537 23.626 -4.820 1.00 0.00 O
727
+ ATOM 726 N GLN A 91 30.408 22.505 -3.222 1.00 0.00 N
728
+ ATOM 727 CA GLN A 91 29.182 22.299 -3.987 1.00 0.00 C
729
+ ATOM 728 C GLN A 91 28.039 23.145 -3.433 1.00 0.00 C
730
+ ATOM 729 CB GLN A 91 28.790 20.821 -3.988 1.00 0.00 C
731
+ ATOM 730 O GLN A 91 26.890 22.996 -3.853 1.00 0.00 O
732
+ ATOM 731 CG GLN A 91 29.852 19.903 -4.577 1.00 0.00 C
733
+ ATOM 732 CD GLN A 91 30.183 20.240 -6.019 1.00 0.00 C
734
+ ATOM 733 NE2 GLN A 91 31.254 19.645 -6.535 1.00 0.00 N
735
+ ATOM 734 OE1 GLN A 91 29.484 21.027 -6.663 1.00 0.00 O
736
+ ATOM 735 N GLY A 92 28.311 24.004 -2.499 1.00 0.00 N
737
+ ATOM 736 CA GLY A 92 27.340 24.990 -2.050 1.00 0.00 C
738
+ ATOM 737 C GLY A 92 26.720 24.646 -0.709 1.00 0.00 C
739
+ ATOM 738 O GLY A 92 26.159 25.515 -0.038 1.00 0.00 O
740
+ ATOM 739 N LEU A 93 26.715 23.430 -0.306 1.00 0.00 N
741
+ ATOM 740 CA LEU A 93 26.213 23.089 1.020 1.00 0.00 C
742
+ ATOM 741 C LEU A 93 27.251 23.405 2.091 1.00 0.00 C
743
+ ATOM 742 CB LEU A 93 25.829 21.608 1.084 1.00 0.00 C
744
+ ATOM 743 O LEU A 93 28.408 23.694 1.775 1.00 0.00 O
745
+ ATOM 744 CG LEU A 93 24.763 21.141 0.093 1.00 0.00 C
746
+ ATOM 745 CD1 LEU A 93 24.422 19.674 0.333 1.00 0.00 C
747
+ ATOM 746 CD2 LEU A 93 23.514 22.010 0.200 1.00 0.00 C
748
+ ATOM 747 N VAL A 94 26.866 23.356 3.351 1.00 0.00 N
749
+ ATOM 748 CA VAL A 94 27.746 23.654 4.475 1.00 0.00 C
750
+ ATOM 749 C VAL A 94 28.854 22.606 4.557 1.00 0.00 C
751
+ ATOM 750 CB VAL A 94 26.967 23.710 5.808 1.00 0.00 C
752
+ ATOM 751 O VAL A 94 29.956 22.893 5.032 1.00 0.00 O
753
+ ATOM 752 CG1 VAL A 94 26.009 24.900 5.824 1.00 0.00 C
754
+ ATOM 753 CG2 VAL A 94 26.206 22.405 6.036 1.00 0.00 C
755
+ ATOM 754 N VAL A 95 28.589 21.437 4.131 1.00 0.00 N
756
+ ATOM 755 CA VAL A 95 29.506 20.304 4.081 1.00 0.00 C
757
+ ATOM 756 C VAL A 95 29.060 19.325 2.996 1.00 0.00 C
758
+ ATOM 757 CB VAL A 95 29.591 19.584 5.446 1.00 0.00 C
759
+ ATOM 758 O VAL A 95 27.879 19.274 2.646 1.00 0.00 O
760
+ ATOM 759 CG1 VAL A 95 28.260 18.919 5.791 1.00 0.00 C
761
+ ATOM 760 CG2 VAL A 95 30.719 18.553 5.434 1.00 0.00 C
762
+ ATOM 761 N HIS A 96 29.973 18.620 2.440 1.00 0.00 N
763
+ ATOM 762 CA HIS A 96 29.587 17.638 1.432 1.00 0.00 C
764
+ ATOM 763 C HIS A 96 28.972 16.401 2.074 1.00 0.00 C
765
+ ATOM 764 CB HIS A 96 30.795 17.242 0.581 1.00 0.00 C
766
+ ATOM 765 O HIS A 96 29.282 16.072 3.222 1.00 0.00 O
767
+ ATOM 766 CG HIS A 96 31.889 16.583 1.360 1.00 0.00 C
768
+ ATOM 767 CD2 HIS A 96 32.210 15.277 1.510 1.00 0.00 C
769
+ ATOM 768 ND1 HIS A 96 32.803 17.295 2.106 1.00 0.00 N
770
+ ATOM 769 CE1 HIS A 96 33.643 16.451 2.682 1.00 0.00 C
771
+ ATOM 770 NE2 HIS A 96 33.305 15.221 2.337 1.00 0.00 N
772
+ ATOM 771 N LEU A 97 28.072 15.735 1.320 1.00 0.00 N
773
+ ATOM 772 CA LEU A 97 27.377 14.531 1.760 1.00 0.00 C
774
+ ATOM 773 C LEU A 97 28.316 13.329 1.757 1.00 0.00 C
775
+ ATOM 774 CB LEU A 97 26.167 14.251 0.864 1.00 0.00 C
776
+ ATOM 775 O LEU A 97 28.556 12.727 0.708 1.00 0.00 O
777
+ ATOM 776 CG LEU A 97 25.201 15.416 0.645 1.00 0.00 C
778
+ ATOM 777 CD1 LEU A 97 24.115 15.023 -0.350 1.00 0.00 C
779
+ ATOM 778 CD2 LEU A 97 24.585 15.855 1.971 1.00 0.00 C
780
+ ATOM 779 N SER A 98 28.805 12.914 2.944 1.00 0.00 N
781
+ ATOM 780 CA SER A 98 29.866 11.914 2.997 1.00 0.00 C
782
+ ATOM 781 C SER A 98 29.330 10.564 3.463 1.00 0.00 C
783
+ ATOM 782 CB SER A 98 30.992 12.374 3.923 1.00 0.00 C
784
+ ATOM 783 O SER A 98 29.791 9.516 3.007 1.00 0.00 O
785
+ ATOM 784 OG SER A 98 30.482 12.728 5.197 1.00 0.00 O
786
+ ATOM 785 N ASN A 99 28.415 10.599 4.420 1.00 0.00 N
787
+ ATOM 786 CA ASN A 99 28.001 9.354 5.058 1.00 0.00 C
788
+ ATOM 787 C ASN A 99 26.483 9.200 5.056 1.00 0.00 C
789
+ ATOM 788 CB ASN A 99 28.541 9.279 6.488 1.00 0.00 C
790
+ ATOM 789 O ASN A 99 25.794 9.787 5.892 1.00 0.00 O
791
+ ATOM 790 CG ASN A 99 30.036 9.513 6.561 1.00 0.00 C
792
+ ATOM 791 ND2 ASN A 99 30.438 10.583 7.238 1.00 0.00 N
793
+ ATOM 792 OD1 ASN A 99 30.826 8.739 6.012 1.00 0.00 O
794
+ ATOM 793 N PRO A 100 25.956 8.456 4.127 1.00 0.00 N
795
+ ATOM 794 CA PRO A 100 24.509 8.236 4.146 1.00 0.00 C
796
+ ATOM 795 C PRO A 100 24.052 7.418 5.351 1.00 0.00 C
797
+ ATOM 796 CB PRO A 100 24.250 7.478 2.842 1.00 0.00 C
798
+ ATOM 797 O PRO A 100 24.683 6.416 5.697 1.00 0.00 O
799
+ ATOM 798 CG PRO A 100 25.531 6.763 2.556 1.00 0.00 C
800
+ ATOM 799 CD PRO A 100 26.668 7.586 3.091 1.00 0.00 C
801
+ ATOM 800 N ILE A 101 23.105 7.841 6.034 1.00 0.00 N
802
+ ATOM 801 CA ILE A 101 22.461 7.075 7.095 1.00 0.00 C
803
+ ATOM 802 C ILE A 101 21.396 6.160 6.496 1.00 0.00 C
804
+ ATOM 803 CB ILE A 101 21.834 8.002 8.160 1.00 0.00 C
805
+ ATOM 804 O ILE A 101 20.318 6.620 6.112 1.00 0.00 O
806
+ ATOM 805 CG1 ILE A 101 22.895 8.944 8.739 1.00 0.00 C
807
+ ATOM 806 CG2 ILE A 101 21.169 7.179 9.268 1.00 0.00 C
808
+ ATOM 807 CD1 ILE A 101 24.064 8.227 9.403 1.00 0.00 C
809
+ ATOM 808 N MET A 102 21.682 4.942 6.439 1.00 0.00 N
810
+ ATOM 809 CA MET A 102 20.834 3.938 5.802 1.00 0.00 C
811
+ ATOM 810 C MET A 102 19.657 3.571 6.701 1.00 0.00 C
812
+ ATOM 811 CB MET A 102 21.644 2.686 5.463 1.00 0.00 C
813
+ ATOM 812 O MET A 102 19.785 3.565 7.926 1.00 0.00 O
814
+ ATOM 813 CG MET A 102 22.921 2.972 4.690 1.00 0.00 C
815
+ ATOM 814 SD MET A 102 22.594 3.664 3.023 1.00 0.00 S
816
+ ATOM 815 CE MET A 102 24.251 3.544 2.295 1.00 0.00 C
817
+ ATOM 816 N ARG A 103 18.560 3.146 6.149 1.00 0.00 N
818
+ ATOM 817 CA ARG A 103 17.371 2.729 6.884 1.00 0.00 C
819
+ ATOM 818 C ARG A 103 17.519 1.303 7.402 1.00 0.00 C
820
+ ATOM 819 CB ARG A 103 16.126 2.839 6.002 1.00 0.00 C
821
+ ATOM 820 O ARG A 103 18.177 0.473 6.770 1.00 0.00 O
822
+ ATOM 821 CG ARG A 103 14.819 2.627 6.749 1.00 0.00 C
823
+ ATOM 822 CD ARG A 103 13.613 2.803 5.838 1.00 0.00 C
824
+ ATOM 823 NE ARG A 103 13.569 1.779 4.798 1.00 0.00 N
825
+ ATOM 824 NH1 ARG A 103 11.622 2.554 3.827 1.00 0.00 N
826
+ ATOM 825 NH2 ARG A 103 12.683 0.712 2.968 1.00 0.00 N
827
+ ATOM 826 CZ ARG A 103 12.625 1.684 3.866 1.00 0.00 C
828
+ ATOM 827 OXT ARG A 103 16.838 1.637 8.342 1.00 0.00 O
829
+ TER 828 ARG A 103
830
+ END
1i3z/1i3z_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oj5/1oj5_ligand.mol2 ADDED
@@ -0,0 +1,453 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1oj5_ligand
7
+ 218 219 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 9.7800 13.4640 20.4140 N.4 1 LEU 0.2379
14
+ 2 CA 9.5400 14.3110 21.6290 C.3 1 LEU 0.0654
15
+ 3 C 10.8450 14.9360 22.1410 C.2 1 LEU 0.2292
16
+ 4 O 11.7330 14.2280 22.6320 O.2 1 LEU -0.3905
17
+ 5 CB 8.8820 13.4480 22.7190 C.3 1 LEU 0.0102
18
+ 6 CG 8.4990 14.1040 24.0500 C.3 1 LEU -0.0394
19
+ 7 CD1 7.4480 15.1790 23.8630 C.3 1 LEU -0.0623
20
+ 8 CD2 7.9830 13.0110 24.9920 C.3 1 LEU -0.0623
21
+ 9 N 11.0040 16.2490 22.0130 N.am 1 PRO -0.2471
22
+ 10 CA 12.2230 16.8720 22.5170 C.3 1 PRO 0.1341
23
+ 11 C 12.3960 16.7170 24.0410 C.2 1 PRO 0.2066
24
+ 12 O 11.4100 16.5590 24.7500 O.2 1 PRO -0.3942
25
+ 13 CB 12.0520 18.3380 22.1300 C.3 1 PRO -0.0104
26
+ 14 CG 11.1040 18.3040 20.9880 C.3 1 PRO -0.0281
27
+ 15 CD 10.1250 17.2350 21.3580 C.3 1 PRO 0.0371
28
+ 16 N 13.6320 16.7560 24.5230 N.am 1 PRO -0.2498
29
+ 17 CA 13.8950 16.8100 25.9610 C.3 1 PRO 0.1338
30
+ 18 C 13.5630 18.1900 26.5830 C.2 1 PRO 0.2042
31
+ 19 O 13.9240 19.2380 26.0450 O.2 1 PRO -0.3944
32
+ 20 CB 15.3920 16.5480 26.0390 C.3 1 PRO -0.0104
33
+ 21 CG 15.9220 17.0860 24.7430 C.3 1 PRO -0.0281
34
+ 22 CD 14.8770 16.7560 23.7340 C.3 1 PRO 0.0369
35
+ 23 N 12.8660 18.1810 27.7090 N.am 1 THR -0.2613
36
+ 24 CA 12.6100 19.4030 28.4480 C.3 1 THR 0.1565
37
+ 25 C 13.8700 19.8400 29.2110 C.2 1 THR 0.2065
38
+ 26 O 14.8400 19.0850 29.3510 O.2 1 THR -0.3943
39
+ 27 CB 11.4990 19.1830 29.5030 C.3 1 THR 0.0924
40
+ 28 OG1 11.9530 18.2210 30.4610 O.3 1 THR -0.3874
41
+ 29 CG2 10.2320 18.5690 28.8980 C.3 1 THR -0.0346
42
+ 30 N 13.8060 21.0590 29.7290 N.am 1 GLU -0.2635
43
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44
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+ 84197 1 0 0 0
424
+ 85198 1 0 0 0
425
+ 86199 1 0 0 0
426
+ 89200 1 0 0 0
427
+ 89201 1 0 0 0
428
+ 90202 1 0 0 0
429
+ 91203 1 0 0 0
430
+ 91204 1 0 0 0
431
+ 91205 1 0 0 0
432
+ 92206 1 0 0 0
433
+ 92207 1 0 0 0
434
+ 92208 1 0 0 0
435
+ 93209 1 0 0 0
436
+ 94210 1 0 0 0
437
+ 97211 1 0 0 0
438
+ 97212 1 0 0 0
439
+ 97213 1 0 0 0
440
+ 98214 1 0 0 0
441
+ 99215 1 0 0 0
442
+ 102216 1 0 0 0
443
+ 102217 1 0 0 0
444
+ 103218 1 0 0 0
445
+ 103219 1 0 0 0
446
+ 106220 1 0 0 0
447
+ 107221 1 0 0 0
448
+ M END
449
+ $$$$
1oj5/1oj5_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,843 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N VAL A 1 39.628 17.758 18.103 1.00 0.00 N
3
+ ATOM 2 CA VAL A 1 38.324 17.995 17.493 1.00 0.00 C
4
+ ATOM 3 C VAL A 1 37.281 18.235 18.582 1.00 0.00 C
5
+ ATOM 4 CB VAL A 1 37.894 16.814 16.595 1.00 0.00 C
6
+ ATOM 5 O VAL A 1 37.106 17.405 19.477 1.00 0.00 O
7
+ ATOM 6 CG1 VAL A 1 36.525 17.080 15.970 1.00 0.00 C
8
+ ATOM 7 CG2 VAL A 1 38.940 16.561 15.510 1.00 0.00 C
9
+ ATOM 8 N GLU A 2 36.773 19.477 18.715 1.00 0.00 N
10
+ ATOM 9 CA GLU A 2 35.786 19.790 19.743 1.00 0.00 C
11
+ ATOM 10 C GLU A 2 34.458 19.094 19.465 1.00 0.00 C
12
+ ATOM 11 CB GLU A 2 35.577 21.303 19.844 1.00 0.00 C
13
+ ATOM 12 O GLU A 2 33.869 19.273 18.397 1.00 0.00 O
14
+ ATOM 13 CG GLU A 2 36.795 22.061 20.349 1.00 0.00 C
15
+ ATOM 14 CD GLU A 2 36.576 23.564 20.431 1.00 0.00 C
16
+ ATOM 15 OE1 GLU A 2 35.444 24.027 20.163 1.00 0.00 O
17
+ ATOM 16 OE2 GLU A 2 37.545 24.283 20.762 1.00 0.00 O
18
+ ATOM 17 N SER A 3 34.067 18.214 20.334 1.00 0.00 N
19
+ ATOM 18 CA SER A 3 32.855 17.428 20.127 1.00 0.00 C
20
+ ATOM 19 C SER A 3 32.193 17.073 21.453 1.00 0.00 C
21
+ ATOM 20 CB SER A 3 33.171 16.151 19.347 1.00 0.00 C
22
+ ATOM 21 O SER A 3 32.795 17.233 22.516 1.00 0.00 O
23
+ ATOM 22 OG SER A 3 34.007 15.293 20.105 1.00 0.00 O
24
+ ATOM 23 N PHE A 4 30.988 16.799 21.386 1.00 0.00 N
25
+ ATOM 24 CA PHE A 4 30.296 16.209 22.525 1.00 0.00 C
26
+ ATOM 25 C PHE A 4 29.459 15.013 22.089 1.00 0.00 C
27
+ ATOM 26 CB PHE A 4 29.408 17.249 23.213 1.00 0.00 C
28
+ ATOM 27 O PHE A 4 29.107 14.889 20.914 1.00 0.00 O
29
+ ATOM 28 CG PHE A 4 28.303 17.778 22.339 1.00 0.00 C
30
+ ATOM 29 CD1 PHE A 4 28.530 18.846 21.478 1.00 0.00 C
31
+ ATOM 30 CD2 PHE A 4 27.037 17.208 22.377 1.00 0.00 C
32
+ ATOM 31 CE1 PHE A 4 27.509 19.338 20.668 1.00 0.00 C
33
+ ATOM 32 CE2 PHE A 4 26.013 17.694 21.570 1.00 0.00 C
34
+ ATOM 33 CZ PHE A 4 26.250 18.759 20.717 1.00 0.00 C
35
+ ATOM 34 N MET A 5 29.183 14.174 23.076 1.00 0.00 N
36
+ ATOM 35 CA MET A 5 28.481 12.926 22.788 1.00 0.00 C
37
+ ATOM 36 C MET A 5 27.137 12.879 23.507 1.00 0.00 C
38
+ ATOM 37 CB MET A 5 29.335 11.724 23.195 1.00 0.00 C
39
+ ATOM 38 O MET A 5 27.013 13.367 24.631 1.00 0.00 O
40
+ ATOM 39 CG MET A 5 30.612 11.575 22.384 1.00 0.00 C
41
+ ATOM 40 SD MET A 5 31.613 10.130 22.908 1.00 0.00 S
42
+ ATOM 41 CE MET A 5 30.544 8.777 22.344 1.00 0.00 C
43
+ ATOM 42 N THR A 6 26.146 12.352 22.798 1.00 0.00 N
44
+ ATOM 43 CA THR A 6 24.826 12.151 23.385 1.00 0.00 C
45
+ ATOM 44 C THR A 6 24.418 10.682 23.309 1.00 0.00 C
46
+ ATOM 45 CB THR A 6 23.765 13.018 22.684 1.00 0.00 C
47
+ ATOM 46 O THR A 6 24.813 9.970 22.384 1.00 0.00 O
48
+ ATOM 47 CG2 THR A 6 24.114 14.499 22.778 1.00 0.00 C
49
+ ATOM 48 OG1 THR A 6 23.687 12.644 21.303 1.00 0.00 O
50
+ ATOM 49 N LYS A 7 23.785 10.254 24.356 1.00 0.00 N
51
+ ATOM 50 CA LYS A 7 23.053 8.991 24.368 1.00 0.00 C
52
+ ATOM 51 C LYS A 7 21.545 9.230 24.350 1.00 0.00 C
53
+ ATOM 52 CB LYS A 7 23.437 8.159 25.592 1.00 0.00 C
54
+ ATOM 53 O LYS A 7 21.011 9.919 25.221 1.00 0.00 O
55
+ ATOM 54 CG LYS A 7 22.859 6.752 25.589 1.00 0.00 C
56
+ ATOM 55 CD LYS A 7 23.263 5.979 26.838 1.00 0.00 C
57
+ ATOM 56 CE LYS A 7 22.608 4.605 26.884 1.00 0.00 C
58
+ ATOM 57 NZ LYS A 7 23.013 3.839 28.100 1.00 0.00 N
59
+ ATOM 58 N GLN A 8 20.872 8.656 23.291 1.00 0.00 N
60
+ ATOM 59 CA GLN A 8 19.431 8.833 23.147 1.00 0.00 C
61
+ ATOM 60 C GLN A 8 18.702 7.494 23.226 1.00 0.00 C
62
+ ATOM 61 CB GLN A 8 19.104 9.532 21.827 1.00 0.00 C
63
+ ATOM 62 O GLN A 8 19.235 6.466 22.802 1.00 0.00 O
64
+ ATOM 63 CG GLN A 8 19.816 10.865 21.645 1.00 0.00 C
65
+ ATOM 64 CD GLN A 8 21.125 10.735 20.889 1.00 0.00 C
66
+ ATOM 65 NE2 GLN A 8 21.691 11.866 20.484 1.00 0.00 N
67
+ ATOM 66 OE1 GLN A 8 21.624 9.626 20.674 1.00 0.00 O
68
+ ATOM 67 N ASP A 9 17.483 7.553 23.809 1.00 0.00 N
69
+ ATOM 68 CA ASP A 9 16.685 6.335 23.698 1.00 0.00 C
70
+ ATOM 69 C ASP A 9 15.997 6.251 22.338 1.00 0.00 C
71
+ ATOM 70 CB ASP A 9 15.644 6.272 24.819 1.00 0.00 C
72
+ ATOM 71 O ASP A 9 16.168 7.134 21.493 1.00 0.00 O
73
+ ATOM 72 CG ASP A 9 14.582 7.351 24.703 1.00 0.00 C
74
+ ATOM 73 OD1 ASP A 9 14.437 7.950 23.616 1.00 0.00 O
75
+ ATOM 74 OD2 ASP A 9 13.887 7.606 25.711 1.00 0.00 O
76
+ ATOM 75 N THR A 10 15.205 5.210 22.082 1.00 0.00 N
77
+ ATOM 76 CA THR A 10 14.659 4.938 20.756 1.00 0.00 C
78
+ ATOM 77 C THR A 10 13.497 5.878 20.448 1.00 0.00 C
79
+ ATOM 78 CB THR A 10 14.189 3.478 20.633 1.00 0.00 C
80
+ ATOM 79 O THR A 10 12.882 5.784 19.384 1.00 0.00 O
81
+ ATOM 80 CG2 THR A 10 15.370 2.514 20.677 1.00 0.00 C
82
+ ATOM 81 OG1 THR A 10 13.301 3.175 21.717 1.00 0.00 O
83
+ ATOM 82 N THR A 11 13.169 6.774 21.350 1.00 0.00 N
84
+ ATOM 83 CA THR A 11 12.163 7.797 21.087 1.00 0.00 C
85
+ ATOM 84 C THR A 11 12.822 9.133 20.757 1.00 0.00 C
86
+ ATOM 85 CB THR A 11 11.216 7.972 22.289 1.00 0.00 C
87
+ ATOM 86 O THR A 11 12.136 10.116 20.469 1.00 0.00 O
88
+ ATOM 87 CG2 THR A 11 10.648 6.631 22.740 1.00 0.00 C
89
+ ATOM 88 OG1 THR A 11 11.938 8.562 23.377 1.00 0.00 O
90
+ ATOM 89 N GLY A 12 14.122 9.137 20.825 1.00 0.00 N
91
+ ATOM 90 CA GLY A 12 14.865 10.343 20.499 1.00 0.00 C
92
+ ATOM 91 C GLY A 12 15.210 11.179 21.717 1.00 0.00 C
93
+ ATOM 92 O GLY A 12 15.776 12.267 21.589 1.00 0.00 O
94
+ ATOM 93 N LYS A 13 14.818 10.802 22.865 1.00 0.00 N
95
+ ATOM 94 CA LYS A 13 15.103 11.511 24.110 1.00 0.00 C
96
+ ATOM 95 C LYS A 13 16.561 11.330 24.522 1.00 0.00 C
97
+ ATOM 96 CB LYS A 13 14.178 11.026 25.227 1.00 0.00 C
98
+ ATOM 97 O LYS A 13 17.062 10.205 24.577 1.00 0.00 O
99
+ ATOM 98 CG LYS A 13 14.263 11.854 26.502 1.00 0.00 C
100
+ ATOM 99 CD LYS A 13 13.302 11.340 27.567 1.00 0.00 C
101
+ ATOM 100 CE LYS A 13 13.430 12.127 28.863 1.00 0.00 C
102
+ ATOM 101 NZ LYS A 13 12.468 11.646 29.901 1.00 0.00 N
103
+ ATOM 102 N ILE A 14 17.167 12.454 24.807 1.00 0.00 N
104
+ ATOM 103 CA ILE A 14 18.558 12.414 25.245 1.00 0.00 C
105
+ ATOM 104 C ILE A 14 18.628 11.966 26.704 1.00 0.00 C
106
+ ATOM 105 CB ILE A 14 19.245 13.787 25.072 1.00 0.00 C
107
+ ATOM 106 O ILE A 14 18.041 12.601 27.583 1.00 0.00 O
108
+ ATOM 107 CG1 ILE A 14 19.262 14.193 23.594 1.00 0.00 C
109
+ ATOM 108 CG2 ILE A 14 20.663 13.757 25.649 1.00 0.00 C
110
+ ATOM 109 CD1 ILE A 14 19.766 15.608 23.347 1.00 0.00 C
111
+ ATOM 110 N ILE A 15 19.368 10.885 27.025 1.00 0.00 N
112
+ ATOM 111 CA ILE A 15 19.461 10.306 28.361 1.00 0.00 C
113
+ ATOM 112 C ILE A 15 20.751 10.769 29.035 1.00 0.00 C
114
+ ATOM 113 CB ILE A 15 19.405 8.763 28.314 1.00 0.00 C
115
+ ATOM 114 O ILE A 15 20.820 10.862 30.263 1.00 0.00 O
116
+ ATOM 115 CG1 ILE A 15 18.146 8.298 27.574 1.00 0.00 C
117
+ ATOM 116 CG2 ILE A 15 19.458 8.177 29.728 1.00 0.00 C
118
+ ATOM 117 CD1 ILE A 15 18.183 6.837 27.148 1.00 0.00 C
119
+ ATOM 118 N SER A 16 21.692 11.043 28.226 1.00 0.00 N
120
+ ATOM 119 CA SER A 16 22.955 11.523 28.776 1.00 0.00 C
121
+ ATOM 120 C SER A 16 23.741 12.322 27.742 1.00 0.00 C
122
+ ATOM 121 CB SER A 16 23.801 10.352 29.277 1.00 0.00 C
123
+ ATOM 122 O SER A 16 23.564 12.131 26.536 1.00 0.00 O
124
+ ATOM 123 OG SER A 16 24.336 9.616 28.190 1.00 0.00 O
125
+ ATOM 124 N ILE A 17 24.527 13.198 28.255 1.00 0.00 N
126
+ ATOM 125 CA ILE A 17 25.394 14.009 27.409 1.00 0.00 C
127
+ ATOM 126 C ILE A 17 26.800 14.055 28.005 1.00 0.00 C
128
+ ATOM 127 CB ILE A 17 24.839 15.440 27.236 1.00 0.00 C
129
+ ATOM 128 O ILE A 17 26.963 14.222 29.216 1.00 0.00 O
130
+ ATOM 129 CG1 ILE A 17 25.616 16.187 26.146 1.00 0.00 C
131
+ ATOM 130 CG2 ILE A 17 24.888 16.202 28.564 1.00 0.00 C
132
+ ATOM 131 CD1 ILE A 17 24.920 17.443 25.639 1.00 0.00 C
133
+ ATOM 132 N ASP A 18 27.773 13.797 27.158 1.00 0.00 N
134
+ ATOM 133 CA ASP A 18 29.176 13.890 27.549 1.00 0.00 C
135
+ ATOM 134 C ASP A 18 29.859 15.073 26.865 1.00 0.00 C
136
+ ATOM 135 CB ASP A 18 29.913 12.592 27.214 1.00 0.00 C
137
+ ATOM 136 O ASP A 18 30.060 15.063 25.649 1.00 0.00 O
138
+ ATOM 137 CG ASP A 18 31.349 12.581 27.706 1.00 0.00 C
139
+ ATOM 138 OD1 ASP A 18 31.850 13.638 28.150 1.00 0.00 O
140
+ ATOM 139 OD2 ASP A 18 31.988 11.508 27.647 1.00 0.00 O
141
+ ATOM 140 N THR A 19 30.277 16.017 27.610 1.00 0.00 N
142
+ ATOM 141 CA THR A 19 30.902 17.219 27.071 1.00 0.00 C
143
+ ATOM 142 C THR A 19 32.365 17.305 27.497 1.00 0.00 C
144
+ ATOM 143 CB THR A 19 30.157 18.488 27.525 1.00 0.00 C
145
+ ATOM 144 O THR A 19 32.933 18.396 27.572 1.00 0.00 O
146
+ ATOM 145 CG2 THR A 19 28.737 18.520 26.969 1.00 0.00 C
147
+ ATOM 146 OG1 THR A 19 30.100 18.515 28.957 1.00 0.00 O
148
+ ATOM 147 N SER A 20 32.970 16.196 27.884 1.00 0.00 N
149
+ ATOM 148 CA SER A 20 34.332 16.170 28.407 1.00 0.00 C
150
+ ATOM 149 C SER A 20 35.315 16.791 27.420 1.00 0.00 C
151
+ ATOM 150 CB SER A 20 34.756 14.736 28.726 1.00 0.00 C
152
+ ATOM 151 O SER A 20 36.236 17.506 27.821 1.00 0.00 O
153
+ ATOM 152 OG SER A 20 34.524 13.883 27.617 1.00 0.00 O
154
+ ATOM 153 N SER A 21 35.177 16.534 26.228 1.00 0.00 N
155
+ ATOM 154 CA SER A 21 36.080 17.080 25.221 1.00 0.00 C
156
+ ATOM 155 C SER A 21 35.979 18.599 25.151 1.00 0.00 C
157
+ ATOM 156 CB SER A 21 35.779 16.477 23.848 1.00 0.00 C
158
+ ATOM 157 O SER A 21 36.984 19.286 24.959 1.00 0.00 O
159
+ ATOM 158 OG SER A 21 36.591 17.070 22.850 1.00 0.00 O
160
+ ATOM 159 N LEU A 22 34.815 19.114 25.259 1.00 0.00 N
161
+ ATOM 160 CA LEU A 22 34.593 20.555 25.222 1.00 0.00 C
162
+ ATOM 161 C LEU A 22 35.218 21.232 26.437 1.00 0.00 C
163
+ ATOM 162 CB LEU A 22 33.095 20.866 25.166 1.00 0.00 C
164
+ ATOM 163 O LEU A 22 35.811 22.308 26.317 1.00 0.00 O
165
+ ATOM 164 CG LEU A 22 32.369 20.468 23.880 1.00 0.00 C
166
+ ATOM 165 CD1 LEU A 22 30.870 20.715 24.019 1.00 0.00 C
167
+ ATOM 166 CD2 LEU A 22 32.932 21.234 22.687 1.00 0.00 C
168
+ ATOM 167 N ARG A 23 35.037 20.635 27.538 1.00 0.00 N
169
+ ATOM 168 CA ARG A 23 35.660 21.160 28.749 1.00 0.00 C
170
+ ATOM 169 C ARG A 23 37.177 21.211 28.606 1.00 0.00 C
171
+ ATOM 170 CB ARG A 23 35.276 20.313 29.963 1.00 0.00 C
172
+ ATOM 171 O ARG A 23 37.816 22.170 29.044 1.00 0.00 O
173
+ ATOM 172 CG ARG A 23 33.846 20.525 30.436 1.00 0.00 C
174
+ ATOM 173 CD ARG A 23 33.569 19.790 31.740 1.00 0.00 C
175
+ ATOM 174 NE ARG A 23 32.139 19.727 32.029 1.00 0.00 N
176
+ ATOM 175 NH1 ARG A 23 32.378 18.521 33.985 1.00 0.00 N
177
+ ATOM 176 NH2 ARG A 23 30.291 19.127 33.254 1.00 0.00 N
178
+ ATOM 177 CZ ARG A 23 31.606 19.125 33.089 1.00 0.00 C
179
+ ATOM 178 N ALA A 24 37.663 20.137 28.033 1.00 0.00 N
180
+ ATOM 179 CA ALA A 24 39.107 20.053 27.828 1.00 0.00 C
181
+ ATOM 180 C ALA A 24 39.598 21.176 26.919 1.00 0.00 C
182
+ ATOM 181 CB ALA A 24 39.482 18.695 27.240 1.00 0.00 C
183
+ ATOM 182 O ALA A 24 40.733 21.641 27.053 1.00 0.00 O
184
+ ATOM 183 N ALA A 25 38.727 21.583 26.084 1.00 0.00 N
185
+ ATOM 184 CA ALA A 25 39.100 22.626 25.133 1.00 0.00 C
186
+ ATOM 185 C ALA A 25 38.872 24.015 25.722 1.00 0.00 C
187
+ ATOM 186 CB ALA A 25 38.314 22.468 23.834 1.00 0.00 C
188
+ ATOM 187 O ALA A 25 39.094 25.025 25.052 1.00 0.00 O
189
+ ATOM 188 N GLY A 26 38.579 24.121 27.061 1.00 0.00 N
190
+ ATOM 189 CA GLY A 26 38.395 25.377 27.772 1.00 0.00 C
191
+ ATOM 190 C GLY A 26 37.034 26.002 27.536 1.00 0.00 C
192
+ ATOM 191 O GLY A 26 36.837 27.190 27.799 1.00 0.00 O
193
+ ATOM 192 N ARG A 27 36.176 25.223 26.931 1.00 0.00 N
194
+ ATOM 193 CA ARG A 27 34.836 25.754 26.701 1.00 0.00 C
195
+ ATOM 194 C ARG A 27 33.938 25.514 27.909 1.00 0.00 C
196
+ ATOM 195 CB ARG A 27 34.214 25.123 25.452 1.00 0.00 C
197
+ ATOM 196 O ARG A 27 34.001 24.456 28.536 1.00 0.00 O
198
+ ATOM 197 CG ARG A 27 34.950 25.454 24.164 1.00 0.00 C
199
+ ATOM 198 CD ARG A 27 34.003 25.513 22.973 1.00 0.00 C
200
+ ATOM 199 NE ARG A 27 34.714 25.811 21.733 1.00 0.00 N
201
+ ATOM 200 NH1 ARG A 27 33.141 27.310 20.950 1.00 0.00 N
202
+ ATOM 201 NH2 ARG A 27 35.014 26.855 19.710 1.00 0.00 N
203
+ ATOM 202 CZ ARG A 27 34.288 26.658 20.800 1.00 0.00 C
204
+ ATOM 203 N THR A 28 33.465 26.504 28.577 1.00 0.00 N
205
+ ATOM 204 CA THR A 28 32.567 26.516 29.727 1.00 0.00 C
206
+ ATOM 205 C THR A 28 31.143 26.856 29.297 1.00 0.00 C
207
+ ATOM 206 CB THR A 28 33.039 27.522 30.793 1.00 0.00 C
208
+ ATOM 207 O THR A 28 30.915 27.270 28.158 1.00 0.00 O
209
+ ATOM 208 CG2 THR A 28 34.422 27.156 31.321 1.00 0.00 C
210
+ ATOM 209 OG1 THR A 28 33.092 28.832 30.216 1.00 0.00 O
211
+ ATOM 210 N GLY A 29 30.172 26.408 30.108 1.00 0.00 N
212
+ ATOM 211 CA GLY A 29 28.782 26.800 29.941 1.00 0.00 C
213
+ ATOM 212 C GLY A 29 27.961 25.778 29.176 1.00 0.00 C
214
+ ATOM 213 O GLY A 29 26.812 26.042 28.814 1.00 0.00 O
215
+ ATOM 214 N TRP A 30 28.537 24.575 28.914 1.00 0.00 N
216
+ ATOM 215 CA TRP A 30 27.821 23.525 28.199 1.00 0.00 C
217
+ ATOM 216 C TRP A 30 26.901 22.754 29.140 1.00 0.00 C
218
+ ATOM 217 CB TRP A 30 28.805 22.563 27.527 1.00 0.00 C
219
+ ATOM 218 O TRP A 30 26.199 21.833 28.716 1.00 0.00 O
220
+ ATOM 219 CG TRP A 30 29.514 23.148 26.342 1.00 0.00 C
221
+ ATOM 220 CD1 TRP A 30 30.686 23.852 26.348 1.00 0.00 C
222
+ ATOM 221 CD2 TRP A 30 29.093 23.081 24.976 1.00 0.00 C
223
+ ATOM 222 CE2 TRP A 30 30.058 23.768 24.207 1.00 0.00 C
224
+ ATOM 223 CE3 TRP A 30 27.991 22.506 24.327 1.00 0.00 C
225
+ ATOM 224 NE1 TRP A 30 31.019 24.228 25.067 1.00 0.00 N
226
+ ATOM 225 CH2 TRP A 30 28.868 23.323 22.210 1.00 0.00 C
227
+ ATOM 226 CZ2 TRP A 30 29.955 23.894 22.819 1.00 0.00 C
228
+ ATOM 227 CZ3 TRP A 30 27.891 22.633 22.946 1.00 0.00 C
229
+ ATOM 228 N GLU A 31 27.039 23.014 30.458 1.00 0.00 N
230
+ ATOM 229 CA GLU A 31 26.084 22.467 31.416 1.00 0.00 C
231
+ ATOM 230 C GLU A 31 24.649 22.794 31.013 1.00 0.00 C
232
+ ATOM 231 CB GLU A 31 26.369 22.999 32.823 1.00 0.00 C
233
+ ATOM 232 O GLU A 31 23.720 22.058 31.353 1.00 0.00 O
234
+ ATOM 233 CG GLU A 31 27.778 22.704 33.318 1.00 0.00 C
235
+ ATOM 234 CD GLU A 31 28.475 23.921 33.906 1.00 0.00 C
236
+ ATOM 235 OE1 GLU A 31 27.848 25.002 33.979 1.00 0.00 O
237
+ ATOM 236 OE2 GLU A 31 29.657 23.791 34.296 1.00 0.00 O
238
+ ATOM 237 N ASP A 32 24.502 23.858 30.225 1.00 0.00 N
239
+ ATOM 238 CA ASP A 32 23.173 24.307 29.822 1.00 0.00 C
240
+ ATOM 239 C ASP A 32 22.587 23.393 28.748 1.00 0.00 C
241
+ ATOM 240 CB ASP A 32 23.225 25.749 29.314 1.00 0.00 C
242
+ ATOM 241 O ASP A 32 21.425 23.542 28.365 1.00 0.00 O
243
+ ATOM 242 CG ASP A 32 23.467 26.759 30.420 1.00 0.00 C
244
+ ATOM 243 OD1 ASP A 32 23.218 26.441 31.603 1.00 0.00 O
245
+ ATOM 244 OD2 ASP A 32 23.909 27.886 30.107 1.00 0.00 O
246
+ ATOM 245 N LEU A 33 23.405 22.552 28.187 1.00 0.00 N
247
+ ATOM 246 CA LEU A 33 22.812 21.641 27.214 1.00 0.00 C
248
+ ATOM 247 C LEU A 33 22.128 20.471 27.912 1.00 0.00 C
249
+ ATOM 248 CB LEU A 33 23.879 21.121 26.247 1.00 0.00 C
250
+ ATOM 249 O LEU A 33 21.290 19.791 27.315 1.00 0.00 O
251
+ ATOM 250 CG LEU A 33 24.464 22.141 25.269 1.00 0.00 C
252
+ ATOM 251 CD1 LEU A 33 25.699 21.570 24.582 1.00 0.00 C
253
+ ATOM 252 CD2 LEU A 33 23.417 22.555 24.240 1.00 0.00 C
254
+ ATOM 253 N VAL A 34 22.369 20.229 29.173 1.00 0.00 N
255
+ ATOM 254 CA VAL A 34 21.705 19.195 29.960 1.00 0.00 C
256
+ ATOM 255 C VAL A 34 20.231 19.550 30.142 1.00 0.00 C
257
+ ATOM 256 CB VAL A 34 22.383 19.007 31.336 1.00 0.00 C
258
+ ATOM 257 O VAL A 34 19.895 20.703 30.426 1.00 0.00 O
259
+ ATOM 258 CG1 VAL A 34 21.615 17.992 32.181 1.00 0.00 C
260
+ ATOM 259 CG2 VAL A 34 23.835 18.571 31.160 1.00 0.00 C
261
+ ATOM 260 N ARG A 35 19.295 18.629 29.654 1.00 0.00 N
262
+ ATOM 261 CA ARG A 35 17.839 18.599 29.749 1.00 0.00 C
263
+ ATOM 262 C ARG A 35 17.198 19.313 28.564 1.00 0.00 C
264
+ ATOM 263 CB ARG A 35 17.373 19.237 31.060 1.00 0.00 C
265
+ ATOM 264 O ARG A 35 16.010 19.639 28.597 1.00 0.00 O
266
+ ATOM 265 CG ARG A 35 17.735 18.433 32.299 1.00 0.00 C
267
+ ATOM 266 CD ARG A 35 17.115 19.027 33.557 1.00 0.00 C
268
+ ATOM 267 NE ARG A 35 17.509 18.287 34.752 1.00 0.00 N
269
+ ATOM 268 NH1 ARG A 35 16.210 19.530 36.202 1.00 0.00 N
270
+ ATOM 269 NH2 ARG A 35 17.494 17.806 36.998 1.00 0.00 N
271
+ ATOM 270 CZ ARG A 35 17.071 18.543 35.982 1.00 0.00 C
272
+ ATOM 271 N LYS A 36 18.002 19.528 27.539 1.00 0.00 N
273
+ ATOM 272 CA LYS A 36 17.407 20.027 26.303 1.00 0.00 C
274
+ ATOM 273 C LYS A 36 17.334 18.929 25.245 1.00 0.00 C
275
+ ATOM 274 CB LYS A 36 18.203 21.219 25.768 1.00 0.00 C
276
+ ATOM 275 O LYS A 36 18.144 17.999 25.251 1.00 0.00 O
277
+ ATOM 276 CG LYS A 36 18.129 22.457 26.648 1.00 0.00 C
278
+ ATOM 277 CD LYS A 36 18.467 23.720 25.866 1.00 0.00 C
279
+ ATOM 278 CE LYS A 36 18.359 24.965 26.737 1.00 0.00 C
280
+ ATOM 279 NZ LYS A 36 18.749 26.199 25.991 1.00 0.00 N
281
+ ATOM 280 N CYS A 37 16.071 18.654 24.641 1.00 0.00 N
282
+ ATOM 281 CA CYS A 37 15.802 17.771 23.512 1.00 0.00 C
283
+ ATOM 282 C CYS A 37 16.614 18.185 22.290 1.00 0.00 C
284
+ ATOM 283 CB CYS A 37 14.312 17.774 23.172 1.00 0.00 C
285
+ ATOM 284 O CYS A 37 16.822 19.377 22.053 1.00 0.00 O
286
+ ATOM 285 SG CYS A 37 13.885 16.723 21.766 1.00 0.00 S
287
+ ATOM 286 N ILE A 38 17.326 17.148 21.728 1.00 0.00 N
288
+ ATOM 287 CA ILE A 38 18.095 17.407 20.515 1.00 0.00 C
289
+ ATOM 288 C ILE A 38 17.304 18.329 19.591 1.00 0.00 C
290
+ ATOM 289 CB ILE A 38 18.455 16.095 19.784 1.00 0.00 C
291
+ ATOM 290 O ILE A 38 17.883 19.176 18.906 1.00 0.00 O
292
+ ATOM 291 CG1 ILE A 38 19.577 16.340 18.768 1.00 0.00 C
293
+ ATOM 292 CG2 ILE A 38 17.219 15.500 19.101 1.00 0.00 C
294
+ ATOM 293 CD1 ILE A 38 20.306 15.076 18.332 1.00 0.00 C
295
+ ATOM 294 N TYR A 39 15.932 18.104 19.488 1.00 0.00 N
296
+ ATOM 295 CA TYR A 39 15.074 18.937 18.652 1.00 0.00 C
297
+ ATOM 296 C TYR A 39 15.176 20.403 19.056 1.00 0.00 C
298
+ ATOM 297 CB TYR A 39 13.618 18.470 18.744 1.00 0.00 C
299
+ ATOM 298 O TYR A 39 14.979 21.296 18.229 1.00 0.00 O
300
+ ATOM 299 CG TYR A 39 13.400 17.060 18.251 1.00 0.00 C
301
+ ATOM 300 CD1 TYR A 39 13.467 16.758 16.892 1.00 0.00 C
302
+ ATOM 301 CD2 TYR A 39 13.125 16.028 19.142 1.00 0.00 C
303
+ ATOM 302 CE1 TYR A 39 13.265 15.460 16.434 1.00 0.00 C
304
+ ATOM 303 CE2 TYR A 39 12.921 14.728 18.693 1.00 0.00 C
305
+ ATOM 304 OH TYR A 39 12.793 13.167 16.892 1.00 0.00 O
306
+ ATOM 305 CZ TYR A 39 12.994 14.454 17.340 1.00 0.00 C
307
+ ATOM 306 N ALA A 40 15.355 20.571 20.271 1.00 0.00 N
308
+ ATOM 307 CA ALA A 40 15.533 21.952 20.711 1.00 0.00 C
309
+ ATOM 308 C ALA A 40 16.856 22.521 20.208 1.00 0.00 C
310
+ ATOM 309 CB ALA A 40 15.466 22.038 22.234 1.00 0.00 C
311
+ ATOM 310 O ALA A 40 17.022 23.740 20.119 1.00 0.00 O
312
+ ATOM 311 N PHE A 41 17.796 21.536 19.842 1.00 0.00 N
313
+ ATOM 312 CA PHE A 41 19.109 21.983 19.390 1.00 0.00 C
314
+ ATOM 313 C PHE A 41 19.036 22.523 17.967 1.00 0.00 C
315
+ ATOM 314 CB PHE A 41 20.124 20.838 19.468 1.00 0.00 C
316
+ ATOM 315 O PHE A 41 19.832 23.382 17.582 1.00 0.00 O
317
+ ATOM 316 CG PHE A 41 20.530 20.481 20.871 1.00 0.00 C
318
+ ATOM 317 CD1 PHE A 41 21.572 21.150 21.500 1.00 0.00 C
319
+ ATOM 318 CD2 PHE A 41 19.868 19.474 21.563 1.00 0.00 C
320
+ ATOM 319 CE1 PHE A 41 21.950 20.821 22.799 1.00 0.00 C
321
+ ATOM 320 CE2 PHE A 41 20.241 19.140 22.862 1.00 0.00 C
322
+ ATOM 321 CZ PHE A 41 21.283 19.813 23.478 1.00 0.00 C
323
+ ATOM 322 N PHE A 42 18.224 21.889 17.224 1.00 0.00 N
324
+ ATOM 323 CA PHE A 42 18.038 22.249 15.824 1.00 0.00 C
325
+ ATOM 324 C PHE A 42 17.135 23.470 15.695 1.00 0.00 C
326
+ ATOM 325 CB PHE A 42 17.447 21.074 15.039 1.00 0.00 C
327
+ ATOM 326 O PHE A 42 16.117 23.572 16.382 1.00 0.00 O
328
+ ATOM 327 CG PHE A 42 18.392 19.913 14.881 1.00 0.00 C
329
+ ATOM 328 CD1 PHE A 42 19.193 19.801 13.752 1.00 0.00 C
330
+ ATOM 329 CD2 PHE A 42 18.478 18.934 15.863 1.00 0.00 C
331
+ ATOM 330 CE1 PHE A 42 20.069 18.727 13.603 1.00 0.00 C
332
+ ATOM 331 CE2 PHE A 42 19.351 17.860 15.721 1.00 0.00 C
333
+ ATOM 332 CZ PHE A 42 20.145 17.757 14.590 1.00 0.00 C
334
+ ATOM 333 N GLN A 43 17.750 24.608 15.955 1.00 0.00 N
335
+ ATOM 334 CA GLN A 43 17.024 25.874 15.923 1.00 0.00 C
336
+ ATOM 335 C GLN A 43 15.769 25.766 15.062 1.00 0.00 C
337
+ ATOM 336 CB GLN A 43 17.924 26.996 15.403 1.00 0.00 C
338
+ ATOM 337 O GLN A 43 15.786 25.131 14.006 1.00 0.00 O
339
+ ATOM 338 CG GLN A 43 18.905 27.527 16.438 1.00 0.00 C
340
+ ATOM 339 CD GLN A 43 19.411 28.919 16.108 1.00 0.00 C
341
+ ATOM 340 NE2 GLN A 43 20.070 29.555 17.071 1.00 0.00 N
342
+ ATOM 341 OE1 GLN A 43 19.213 29.418 14.996 1.00 0.00 O
343
+ ATOM 342 N PRO A 44 14.511 26.305 15.553 1.00 0.00 N
344
+ ATOM 343 CA PRO A 44 13.349 26.722 14.764 1.00 0.00 C
345
+ ATOM 344 C PRO A 44 13.676 27.847 13.784 1.00 0.00 C
346
+ ATOM 345 CB PRO A 44 12.353 27.195 15.825 1.00 0.00 C
347
+ ATOM 346 O PRO A 44 13.803 29.006 14.189 1.00 0.00 O
348
+ ATOM 347 CG PRO A 44 13.052 26.980 17.128 1.00 0.00 C
349
+ ATOM 348 CD PRO A 44 14.455 26.524 16.847 1.00 0.00 C
350
+ ATOM 349 N GLN A 45 14.854 27.982 13.175 1.00 0.00 N
351
+ ATOM 350 CA GLN A 45 14.654 29.083 12.238 1.00 0.00 C
352
+ ATOM 351 C GLN A 45 13.589 28.737 11.202 1.00 0.00 C
353
+ ATOM 352 CB GLN A 45 15.968 29.441 11.542 1.00 0.00 C
354
+ ATOM 353 O GLN A 45 13.731 29.068 10.023 1.00 0.00 O
355
+ ATOM 354 CG GLN A 45 16.933 30.230 12.417 1.00 0.00 C
356
+ ATOM 355 CD GLN A 45 18.147 30.724 11.654 1.00 0.00 C
357
+ ATOM 356 NE2 GLN A 45 19.058 31.390 12.357 1.00 0.00 N
358
+ ATOM 357 OE1 GLN A 45 18.267 30.508 10.443 1.00 0.00 O
359
+ ATOM 358 N GLY A 46 12.487 28.005 11.766 1.00 0.00 N
360
+ ATOM 359 CA GLY A 46 11.292 28.047 10.937 1.00 0.00 C
361
+ ATOM 360 C GLY A 46 11.319 27.044 9.800 1.00 0.00 C
362
+ ATOM 361 O GLY A 46 10.288 26.769 9.183 1.00 0.00 O
363
+ ATOM 362 N ARG A 47 12.457 26.149 9.734 1.00 0.00 N
364
+ ATOM 363 CA ARG A 47 12.155 25.276 8.604 1.00 0.00 C
365
+ ATOM 364 C ARG A 47 12.751 23.887 8.811 1.00 0.00 C
366
+ ATOM 365 CB ARG A 47 12.679 25.882 7.301 1.00 0.00 C
367
+ ATOM 366 O ARG A 47 12.478 22.968 8.035 1.00 0.00 O
368
+ ATOM 367 CG ARG A 47 11.801 26.992 6.741 1.00 0.00 C
369
+ ATOM 368 CD ARG A 47 12.172 27.335 5.306 1.00 0.00 C
370
+ ATOM 369 NE ARG A 47 11.400 28.469 4.806 1.00 0.00 N
371
+ ATOM 370 NH1 ARG A 47 12.202 28.327 2.644 1.00 0.00 N
372
+ ATOM 371 NH2 ARG A 47 10.689 29.955 3.206 1.00 0.00 N
373
+ ATOM 372 CZ ARG A 47 11.433 28.915 3.553 1.00 0.00 C
374
+ ATOM 373 N GLU A 48 12.997 23.405 10.085 1.00 0.00 N
375
+ ATOM 374 CA GLU A 48 13.592 22.091 9.862 1.00 0.00 C
376
+ ATOM 375 C GLU A 48 13.574 21.253 11.137 1.00 0.00 C
377
+ ATOM 376 CB GLU A 48 15.027 22.231 9.346 1.00 0.00 C
378
+ ATOM 377 O GLU A 48 14.620 21.012 11.742 1.00 0.00 O
379
+ ATOM 378 CG GLU A 48 15.116 22.665 7.889 1.00 0.00 C
380
+ ATOM 379 CD GLU A 48 16.225 21.963 7.121 1.00 0.00 C
381
+ ATOM 380 OE1 GLU A 48 17.078 21.302 7.755 1.00 0.00 O
382
+ ATOM 381 OE2 GLU A 48 16.240 22.075 5.875 1.00 0.00 O
383
+ ATOM 382 N PRO A 49 12.596 21.180 12.103 1.00 0.00 N
384
+ ATOM 383 CA PRO A 49 12.458 19.923 12.841 1.00 0.00 C
385
+ ATOM 384 C PRO A 49 12.721 18.695 11.970 1.00 0.00 C
386
+ ATOM 385 CB PRO A 49 11.004 19.951 13.319 1.00 0.00 C
387
+ ATOM 386 O PRO A 49 12.990 17.610 12.491 1.00 0.00 O
388
+ ATOM 387 CG PRO A 49 10.448 21.227 12.772 1.00 0.00 C
389
+ ATOM 388 CD PRO A 49 11.524 21.917 11.985 1.00 0.00 C
390
+ ATOM 389 N SER A 50 13.182 18.930 10.702 1.00 0.00 N
391
+ ATOM 390 CA SER A 50 13.266 17.809 9.772 1.00 0.00 C
392
+ ATOM 391 C SER A 50 14.591 17.068 9.914 1.00 0.00 C
393
+ ATOM 392 CB SER A 50 13.095 18.293 8.332 1.00 0.00 C
394
+ ATOM 393 O SER A 50 14.636 15.841 9.816 1.00 0.00 O
395
+ ATOM 394 OG SER A 50 14.277 18.925 7.870 1.00 0.00 O
396
+ ATOM 395 N TYR A 51 15.695 17.933 10.365 1.00 0.00 N
397
+ ATOM 396 CA TYR A 51 16.940 17.173 10.322 1.00 0.00 C
398
+ ATOM 397 C TYR A 51 17.009 16.173 11.469 1.00 0.00 C
399
+ ATOM 398 CB TYR A 51 18.146 18.116 10.378 1.00 0.00 C
400
+ ATOM 399 O TYR A 51 17.473 15.045 11.291 1.00 0.00 O
401
+ ATOM 400 CG TYR A 51 18.400 18.853 9.085 1.00 0.00 C
402
+ ATOM 401 CD1 TYR A 51 18.554 18.164 7.886 1.00 0.00 C
403
+ ATOM 402 CD2 TYR A 51 18.487 20.241 9.062 1.00 0.00 C
404
+ ATOM 403 CE1 TYR A 51 18.790 18.839 6.693 1.00 0.00 C
405
+ ATOM 404 CE2 TYR A 51 18.723 20.928 7.876 1.00 0.00 C
406
+ ATOM 405 OH TYR A 51 19.106 20.893 5.520 1.00 0.00 O
407
+ ATOM 406 CZ TYR A 51 18.872 20.219 6.698 1.00 0.00 C
408
+ ATOM 407 N ALA A 52 16.481 16.709 12.600 1.00 0.00 N
409
+ ATOM 408 CA ALA A 52 16.517 15.797 13.741 1.00 0.00 C
410
+ ATOM 409 C ALA A 52 15.662 14.561 13.483 1.00 0.00 C
411
+ ATOM 410 CB ALA A 52 16.047 16.510 15.006 1.00 0.00 C
412
+ ATOM 411 O ALA A 52 16.086 13.436 13.756 1.00 0.00 O
413
+ ATOM 412 N ARG A 53 14.542 14.830 12.967 1.00 0.00 N
414
+ ATOM 413 CA ARG A 53 13.646 13.719 12.659 1.00 0.00 C
415
+ ATOM 414 C ARG A 53 14.236 12.825 11.574 1.00 0.00 C
416
+ ATOM 415 CB ARG A 53 12.275 14.239 12.221 1.00 0.00 C
417
+ ATOM 416 O ARG A 53 14.153 11.598 11.660 1.00 0.00 O
418
+ ATOM 417 CG ARG A 53 11.201 13.164 12.154 1.00 0.00 C
419
+ ATOM 418 CD ARG A 53 9.831 13.754 11.848 1.00 0.00 C
420
+ ATOM 419 NE ARG A 53 8.757 12.825 12.187 1.00 0.00 N
421
+ ATOM 420 NH1 ARG A 53 7.195 14.469 12.629 1.00 0.00 N
422
+ ATOM 421 NH2 ARG A 53 6.629 12.257 12.835 1.00 0.00 N
423
+ ATOM 422 CZ ARG A 53 7.530 13.186 12.550 1.00 0.00 C
424
+ ATOM 423 N GLN A 54 14.777 13.428 10.588 1.00 0.00 N
425
+ ATOM 424 CA GLN A 54 15.399 12.670 9.508 1.00 0.00 C
426
+ ATOM 425 C GLN A 54 16.574 11.844 10.022 1.00 0.00 C
427
+ ATOM 426 CB GLN A 54 15.864 13.607 8.392 1.00 0.00 C
428
+ ATOM 427 O GLN A 54 16.732 10.680 9.649 1.00 0.00 O
429
+ ATOM 428 CG GLN A 54 16.400 12.882 7.164 1.00 0.00 C
430
+ ATOM 429 CD GLN A 54 16.846 13.832 6.070 1.00 0.00 C
431
+ ATOM 430 NE2 GLN A 54 17.378 13.280 4.984 1.00 0.00 N
432
+ ATOM 431 OE1 GLN A 54 16.714 15.054 6.199 1.00 0.00 O
433
+ ATOM 432 N LEU A 55 17.389 12.544 10.790 1.00 0.00 N
434
+ ATOM 433 CA LEU A 55 18.526 11.851 11.386 1.00 0.00 C
435
+ ATOM 434 C LEU A 55 18.065 10.641 12.191 1.00 0.00 C
436
+ ATOM 435 CB LEU A 55 19.324 12.802 12.283 1.00 0.00 C
437
+ ATOM 436 O LEU A 55 18.626 9.552 12.058 1.00 0.00 O
438
+ ATOM 437 CG LEU A 55 20.685 12.297 12.765 1.00 0.00 C
439
+ ATOM 438 CD1 LEU A 55 21.687 12.295 11.614 1.00 0.00 C
440
+ ATOM 439 CD2 LEU A 55 21.194 13.151 13.921 1.00 0.00 C
441
+ ATOM 440 N PHE A 56 17.047 10.870 12.963 1.00 0.00 N
442
+ ATOM 441 CA PHE A 56 16.494 9.814 13.802 1.00 0.00 C
443
+ ATOM 442 C PHE A 56 15.931 8.684 12.950 1.00 0.00 C
444
+ ATOM 443 CB PHE A 56 15.402 10.372 14.721 1.00 0.00 C
445
+ ATOM 444 O PHE A 56 16.167 7.507 13.235 1.00 0.00 O
446
+ ATOM 445 CG PHE A 56 14.854 9.363 15.693 1.00 0.00 C
447
+ ATOM 446 CD1 PHE A 56 15.561 9.029 16.842 1.00 0.00 C
448
+ ATOM 447 CD2 PHE A 56 13.631 8.749 15.459 1.00 0.00 C
449
+ ATOM 448 CE1 PHE A 56 15.057 8.095 17.745 1.00 0.00 C
450
+ ATOM 449 CE2 PHE A 56 13.119 7.815 16.357 1.00 0.00 C
451
+ ATOM 450 CZ PHE A 56 13.834 7.489 17.498 1.00 0.00 C
452
+ ATOM 451 N GLN A 57 15.118 8.995 11.940 1.00 0.00 N
453
+ ATOM 452 CA GLN A 57 14.531 7.989 11.062 1.00 0.00 C
454
+ ATOM 453 C GLN A 57 15.613 7.183 10.348 1.00 0.00 C
455
+ ATOM 454 CB GLN A 57 13.603 8.644 10.039 1.00 0.00 C
456
+ ATOM 455 O GLN A 57 15.512 5.960 10.238 1.00 0.00 O
457
+ ATOM 456 CG GLN A 57 12.265 9.086 10.616 1.00 0.00 C
458
+ ATOM 457 CD GLN A 57 11.404 9.821 9.606 1.00 0.00 C
459
+ ATOM 458 NE2 GLN A 57 10.164 10.114 9.985 1.00 0.00 N
460
+ ATOM 459 OE1 GLN A 57 11.849 10.124 8.495 1.00 0.00 O
461
+ ATOM 460 N GLU A 58 16.596 7.861 9.915 1.00 0.00 N
462
+ ATOM 461 CA GLU A 58 17.671 7.207 9.174 1.00 0.00 C
463
+ ATOM 462 C GLU A 58 18.460 6.256 10.070 1.00 0.00 C
464
+ ATOM 463 CB GLU A 58 18.609 8.248 8.558 1.00 0.00 C
465
+ ATOM 464 O GLU A 58 18.750 5.124 9.679 1.00 0.00 O
466
+ ATOM 465 CG GLU A 58 19.636 7.660 7.600 1.00 0.00 C
467
+ ATOM 466 CD GLU A 58 20.451 8.717 6.873 1.00 0.00 C
468
+ ATOM 467 OE1 GLU A 58 20.033 9.896 6.848 1.00 0.00 O
469
+ ATOM 468 OE2 GLU A 58 21.517 8.362 6.322 1.00 0.00 O
470
+ ATOM 469 N VAL A 59 18.810 6.734 11.294 1.00 0.00 N
471
+ ATOM 470 CA VAL A 59 19.613 5.876 12.161 1.00 0.00 C
472
+ ATOM 471 C VAL A 59 18.794 4.659 12.587 1.00 0.00 C
473
+ ATOM 472 CB VAL A 59 20.117 6.642 13.406 1.00 0.00 C
474
+ ATOM 473 O VAL A 59 19.333 3.559 12.723 1.00 0.00 O
475
+ ATOM 474 CG1 VAL A 59 18.952 7.002 14.326 1.00 0.00 C
476
+ ATOM 475 CG2 VAL A 59 21.158 5.813 14.155 1.00 0.00 C
477
+ ATOM 476 N MET A 60 17.449 4.799 12.743 1.00 0.00 N
478
+ ATOM 477 CA MET A 60 16.600 3.685 13.153 1.00 0.00 C
479
+ ATOM 478 C MET A 60 16.436 2.679 12.019 1.00 0.00 C
480
+ ATOM 479 CB MET A 60 15.230 4.191 13.605 1.00 0.00 C
481
+ ATOM 480 O MET A 60 16.270 1.482 12.264 1.00 0.00 O
482
+ ATOM 481 CG MET A 60 15.259 4.942 14.927 1.00 0.00 C
483
+ ATOM 482 SD MET A 60 15.912 3.919 16.303 1.00 0.00 S
484
+ ATOM 483 CE MET A 60 14.553 2.734 16.495 1.00 0.00 C
485
+ ATOM 484 N THR A 61 16.543 3.136 10.798 1.00 0.00 N
486
+ ATOM 485 CA THR A 61 16.308 2.280 9.640 1.00 0.00 C
487
+ ATOM 486 C THR A 61 17.616 1.662 9.151 1.00 0.00 C
488
+ ATOM 487 CB THR A 61 15.646 3.063 8.492 1.00 0.00 C
489
+ ATOM 488 O THR A 61 17.667 0.470 8.841 1.00 0.00 O
490
+ ATOM 489 CG2 THR A 61 14.247 3.530 8.880 1.00 0.00 C
491
+ ATOM 490 OG1 THR A 61 16.448 4.207 8.175 1.00 0.00 O
492
+ ATOM 491 N ARG A 62 18.725 2.461 9.201 1.00 0.00 N
493
+ ATOM 492 CA ARG A 62 19.959 2.035 8.547 1.00 0.00 C
494
+ ATOM 493 C ARG A 62 21.027 1.673 9.573 1.00 0.00 C
495
+ ATOM 494 CB ARG A 62 20.478 3.131 7.613 1.00 0.00 C
496
+ ATOM 495 O ARG A 62 22.044 1.066 9.230 1.00 0.00 O
497
+ ATOM 496 CG ARG A 62 19.568 3.412 6.427 1.00 0.00 C
498
+ ATOM 497 CD ARG A 62 20.192 4.413 5.464 1.00 0.00 C
499
+ ATOM 498 NE ARG A 62 19.331 4.659 4.311 1.00 0.00 N
500
+ ATOM 499 NH1 ARG A 62 20.709 6.250 3.361 1.00 0.00 N
501
+ ATOM 500 NH2 ARG A 62 18.745 5.669 2.333 1.00 0.00 N
502
+ ATOM 501 CZ ARG A 62 19.597 5.525 3.338 1.00 0.00 C
503
+ ATOM 502 N GLY A 63 20.792 2.095 10.751 1.00 0.00 N
504
+ ATOM 503 CA GLY A 63 21.776 1.797 11.780 1.00 0.00 C
505
+ ATOM 504 C GLY A 63 22.766 2.925 12.003 1.00 0.00 C
506
+ ATOM 505 O GLY A 63 23.416 2.989 13.049 1.00 0.00 O
507
+ ATOM 506 N THR A 64 23.010 3.742 11.016 1.00 0.00 N
508
+ ATOM 507 CA THR A 64 23.856 4.926 11.105 1.00 0.00 C
509
+ ATOM 508 C THR A 64 23.224 6.101 10.368 1.00 0.00 C
510
+ ATOM 509 CB THR A 64 25.260 4.653 10.533 1.00 0.00 C
511
+ ATOM 510 O THR A 64 22.406 5.907 9.465 1.00 0.00 O
512
+ ATOM 511 CG2 THR A 64 25.934 3.493 11.260 1.00 0.00 C
513
+ ATOM 512 OG1 THR A 64 25.149 4.331 9.142 1.00 0.00 O
514
+ ATOM 513 N ALA A 65 23.548 7.231 10.821 1.00 0.00 N
515
+ ATOM 514 CA ALA A 65 23.072 8.435 10.146 1.00 0.00 C
516
+ ATOM 515 C ALA A 65 23.996 9.618 10.420 1.00 0.00 C
517
+ ATOM 516 CB ALA A 65 21.647 8.764 10.586 1.00 0.00 C
518
+ ATOM 517 O ALA A 65 24.719 9.631 11.419 1.00 0.00 O
519
+ ATOM 518 N SER A 66 23.998 10.632 9.468 1.00 0.00 N
520
+ ATOM 519 CA SER A 66 24.751 11.873 9.620 1.00 0.00 C
521
+ ATOM 520 C SER A 66 23.917 13.080 9.208 1.00 0.00 C
522
+ ATOM 521 CB SER A 66 26.037 11.825 8.793 1.00 0.00 C
523
+ ATOM 522 O SER A 66 23.065 12.980 8.323 1.00 0.00 O
524
+ ATOM 523 OG SER A 66 26.849 10.732 9.189 1.00 0.00 O
525
+ ATOM 524 N SER A 67 24.149 14.105 9.886 1.00 0.00 N
526
+ ATOM 525 CA SER A 67 23.473 15.353 9.546 1.00 0.00 C
527
+ ATOM 526 C SER A 67 24.403 16.298 8.792 1.00 0.00 C
528
+ ATOM 527 CB SER A 67 22.949 16.040 10.807 1.00 0.00 C
529
+ ATOM 528 O SER A 67 25.627 16.192 8.904 1.00 0.00 O
530
+ ATOM 529 OG SER A 67 24.008 16.646 11.528 1.00 0.00 O
531
+ ATOM 530 N PRO A 68 23.776 17.138 7.911 1.00 0.00 N
532
+ ATOM 531 CA PRO A 68 24.568 18.303 7.512 1.00 0.00 C
533
+ ATOM 532 C PRO A 68 24.901 19.220 8.687 1.00 0.00 C
534
+ ATOM 533 CB PRO A 68 23.665 19.016 6.502 1.00 0.00 C
535
+ ATOM 534 O PRO A 68 24.445 18.982 9.809 1.00 0.00 O
536
+ ATOM 535 CG PRO A 68 22.274 18.651 6.911 1.00 0.00 C
537
+ ATOM 536 CD PRO A 68 22.314 17.321 7.606 1.00 0.00 C
538
+ ATOM 537 N SER A 69 25.745 20.241 8.341 1.00 0.00 N
539
+ ATOM 538 CA SER A 69 26.056 21.234 9.363 1.00 0.00 C
540
+ ATOM 539 C SER A 69 24.811 22.011 9.779 1.00 0.00 C
541
+ ATOM 540 CB SER A 69 27.127 22.204 8.861 1.00 0.00 C
542
+ ATOM 541 O SER A 69 23.985 22.367 8.936 1.00 0.00 O
543
+ ATOM 542 OG SER A 69 28.409 21.603 8.901 1.00 0.00 O
544
+ ATOM 543 N TYR A 70 24.632 22.107 11.008 1.00 0.00 N
545
+ ATOM 544 CA TYR A 70 23.548 22.911 11.561 1.00 0.00 C
546
+ ATOM 545 C TYR A 70 24.074 23.891 12.603 1.00 0.00 C
547
+ ATOM 546 CB TYR A 70 22.475 22.013 12.183 1.00 0.00 C
548
+ ATOM 547 O TYR A 70 25.167 23.705 13.143 1.00 0.00 O
549
+ ATOM 548 CG TYR A 70 22.999 21.109 13.273 1.00 0.00 C
550
+ ATOM 549 CD1 TYR A 70 23.511 19.848 12.974 1.00 0.00 C
551
+ ATOM 550 CD2 TYR A 70 22.981 21.511 14.604 1.00 0.00 C
552
+ ATOM 551 CE1 TYR A 70 23.992 19.010 13.974 1.00 0.00 C
553
+ ATOM 552 CE2 TYR A 70 23.459 20.682 15.613 1.00 0.00 C
554
+ ATOM 553 OH TYR A 70 24.437 18.612 16.285 1.00 0.00 O
555
+ ATOM 554 CZ TYR A 70 23.962 19.436 15.289 1.00 0.00 C
556
+ ATOM 555 N ARG A 71 23.310 24.791 12.838 1.00 0.00 N
557
+ ATOM 556 CA ARG A 71 23.721 25.829 13.778 1.00 0.00 C
558
+ ATOM 557 C ARG A 71 22.889 25.772 15.055 1.00 0.00 C
559
+ ATOM 558 CB ARG A 71 23.606 27.213 13.138 1.00 0.00 C
560
+ ATOM 559 O ARG A 71 21.710 25.414 15.018 1.00 0.00 O
561
+ ATOM 560 CG ARG A 71 24.605 27.459 12.019 1.00 0.00 C
562
+ ATOM 561 CD ARG A 71 24.509 28.880 11.480 1.00 0.00 C
563
+ ATOM 562 NE ARG A 71 25.418 29.093 10.357 1.00 0.00 N
564
+ ATOM 563 NH1 ARG A 71 24.755 31.272 9.967 1.00 0.00 N
565
+ ATOM 564 NH2 ARG A 71 26.375 30.309 8.660 1.00 0.00 N
566
+ ATOM 565 CZ ARG A 71 25.514 30.224 9.663 1.00 0.00 C
567
+ ATOM 566 N PHE A 72 23.611 26.169 16.211 1.00 0.00 N
568
+ ATOM 567 CA PHE A 72 22.902 26.309 17.477 1.00 0.00 C
569
+ ATOM 568 C PHE A 72 23.521 27.415 18.324 1.00 0.00 C
570
+ ATOM 569 CB PHE A 72 22.913 24.987 18.250 1.00 0.00 C
571
+ ATOM 570 O PHE A 72 24.635 27.864 18.050 1.00 0.00 O
572
+ ATOM 571 CG PHE A 72 24.291 24.520 18.634 1.00 0.00 C
573
+ ATOM 572 CD1 PHE A 72 25.080 23.817 17.731 1.00 0.00 C
574
+ ATOM 573 CD2 PHE A 72 24.799 24.783 19.900 1.00 0.00 C
575
+ ATOM 574 CE1 PHE A 72 26.355 23.383 18.083 1.00 0.00 C
576
+ ATOM 575 CE2 PHE A 72 26.074 24.353 20.258 1.00 0.00 C
577
+ ATOM 576 CZ PHE A 72 26.850 23.653 19.349 1.00 0.00 C
578
+ ATOM 577 N ILE A 73 22.698 27.896 19.246 1.00 0.00 N
579
+ ATOM 578 CA ILE A 73 23.093 29.040 20.058 1.00 0.00 C
580
+ ATOM 579 C ILE A 73 23.308 28.598 21.504 1.00 0.00 C
581
+ ATOM 580 CB ILE A 73 22.041 30.170 19.994 1.00 0.00 C
582
+ ATOM 581 O ILE A 73 22.438 27.958 22.099 1.00 0.00 O
583
+ ATOM 582 CG1 ILE A 73 21.807 30.600 18.540 1.00 0.00 C
584
+ ATOM 583 CG2 ILE A 73 22.474 31.361 20.854 1.00 0.00 C
585
+ ATOM 584 CD1 ILE A 73 20.638 31.558 18.359 1.00 0.00 C
586
+ ATOM 585 N LEU A 74 24.487 28.867 22.076 1.00 0.00 N
587
+ ATOM 586 CA LEU A 74 24.790 28.612 23.480 1.00 0.00 C
588
+ ATOM 587 C LEU A 74 24.073 29.612 24.380 1.00 0.00 C
589
+ ATOM 588 CB LEU A 74 26.301 28.682 23.723 1.00 0.00 C
590
+ ATOM 589 O LEU A 74 23.526 30.607 23.900 1.00 0.00 O
591
+ ATOM 590 CG LEU A 74 27.153 27.642 22.995 1.00 0.00 C
592
+ ATOM 591 CD1 LEU A 74 28.631 27.858 23.302 1.00 0.00 C
593
+ ATOM 592 CD2 LEU A 74 26.722 26.231 23.383 1.00 0.00 C
594
+ ATOM 593 N ASN A 75 24.057 29.401 25.640 1.00 0.00 N
595
+ ATOM 594 CA ASN A 75 23.376 30.266 26.598 1.00 0.00 C
596
+ ATOM 595 C ASN A 75 23.902 31.697 26.535 1.00 0.00 C
597
+ ATOM 596 CB ASN A 75 23.518 29.710 28.016 1.00 0.00 C
598
+ ATOM 597 O ASN A 75 23.158 32.648 26.780 1.00 0.00 O
599
+ ATOM 598 CG ASN A 75 22.490 28.639 28.329 1.00 0.00 C
600
+ ATOM 599 ND2 ASN A 75 22.737 27.870 29.382 1.00 0.00 N
601
+ ATOM 600 OD1 ASN A 75 21.483 28.505 27.628 1.00 0.00 O
602
+ ATOM 601 N ASP A 76 25.243 31.783 26.273 1.00 0.00 N
603
+ ATOM 602 CA ASP A 76 25.830 33.119 26.302 1.00 0.00 C
604
+ ATOM 603 C ASP A 76 25.594 33.852 24.983 1.00 0.00 C
605
+ ATOM 604 CB ASP A 76 27.330 33.040 26.597 1.00 0.00 C
606
+ ATOM 605 O ASP A 76 26.138 34.936 24.762 1.00 0.00 O
607
+ ATOM 606 CG ASP A 76 28.109 32.312 25.518 1.00 0.00 C
608
+ ATOM 607 OD1 ASP A 76 27.495 31.830 24.541 1.00 0.00 O
609
+ ATOM 608 OD2 ASP A 76 29.349 32.214 25.645 1.00 0.00 O
610
+ ATOM 609 N GLY A 77 24.755 33.162 24.114 1.00 0.00 N
611
+ ATOM 610 CA GLY A 77 24.449 33.788 22.837 1.00 0.00 C
612
+ ATOM 611 C GLY A 77 25.409 33.389 21.732 1.00 0.00 C
613
+ ATOM 612 O GLY A 77 25.242 33.797 20.580 1.00 0.00 O
614
+ ATOM 613 N THR A 78 26.444 32.675 22.113 1.00 0.00 N
615
+ ATOM 614 CA THR A 78 27.412 32.244 21.111 1.00 0.00 C
616
+ ATOM 615 C THR A 78 26.765 31.292 20.109 1.00 0.00 C
617
+ ATOM 616 CB THR A 78 28.625 31.558 21.765 1.00 0.00 C
618
+ ATOM 617 O THR A 78 26.082 30.342 20.499 1.00 0.00 O
619
+ ATOM 618 CG2 THR A 78 29.684 31.204 20.726 1.00 0.00 C
620
+ ATOM 619 OG1 THR A 78 29.201 32.442 22.735 1.00 0.00 O
621
+ ATOM 620 N MET A 79 26.936 31.625 18.817 1.00 0.00 N
622
+ ATOM 621 CA MET A 79 26.444 30.762 17.746 1.00 0.00 C
623
+ ATOM 622 C MET A 79 27.520 29.778 17.302 1.00 0.00 C
624
+ ATOM 623 CB MET A 79 25.977 31.599 16.553 1.00 0.00 C
625
+ ATOM 624 O MET A 79 28.648 30.176 17.006 1.00 0.00 O
626
+ ATOM 625 CG MET A 79 25.051 30.852 15.606 1.00 0.00 C
627
+ ATOM 626 SD MET A 79 24.347 31.941 14.307 1.00 0.00 S
628
+ ATOM 627 CE MET A 79 25.871 32.659 13.631 1.00 0.00 C
629
+ ATOM 628 N LEU A 80 27.209 28.547 17.250 1.00 0.00 N
630
+ ATOM 629 CA LEU A 80 28.146 27.530 16.789 1.00 0.00 C
631
+ ATOM 630 C LEU A 80 27.520 26.670 15.695 1.00 0.00 C
632
+ ATOM 631 CB LEU A 80 28.594 26.646 17.955 1.00 0.00 C
633
+ ATOM 632 O LEU A 80 26.295 26.606 15.576 1.00 0.00 O
634
+ ATOM 633 CG LEU A 80 29.340 27.348 19.091 1.00 0.00 C
635
+ ATOM 634 CD1 LEU A 80 29.559 26.388 20.255 1.00 0.00 C
636
+ ATOM 635 CD2 LEU A 80 30.670 27.905 18.594 1.00 0.00 C
637
+ ATOM 636 N SER A 81 28.396 26.092 14.841 1.00 0.00 N
638
+ ATOM 637 CA SER A 81 28.006 25.106 13.838 1.00 0.00 C
639
+ ATOM 638 C SER A 81 28.537 23.720 14.187 1.00 0.00 C
640
+ ATOM 639 CB SER A 81 28.511 25.521 12.455 1.00 0.00 C
641
+ ATOM 640 O SER A 81 29.665 23.585 14.665 1.00 0.00 O
642
+ ATOM 641 OG SER A 81 27.857 26.699 12.013 1.00 0.00 O
643
+ ATOM 642 N ALA A 82 27.643 22.840 14.002 1.00 0.00 N
644
+ ATOM 643 CA ALA A 82 28.025 21.454 14.265 1.00 0.00 C
645
+ ATOM 644 C ALA A 82 27.431 20.514 13.220 1.00 0.00 C
646
+ ATOM 645 CB ALA A 82 27.582 21.037 15.665 1.00 0.00 C
647
+ ATOM 646 O ALA A 82 26.541 20.904 12.460 1.00 0.00 O
648
+ ATOM 647 N HIS A 83 27.968 19.331 13.094 1.00 0.00 N
649
+ ATOM 648 CA HIS A 83 27.339 18.199 12.422 1.00 0.00 C
650
+ ATOM 649 C HIS A 83 27.358 16.956 13.304 1.00 0.00 C
651
+ ATOM 650 CB HIS A 83 28.038 17.910 11.092 1.00 0.00 C
652
+ ATOM 651 O HIS A 83 28.180 16.849 14.217 1.00 0.00 O
653
+ ATOM 652 CG HIS A 83 29.456 17.458 11.245 1.00 0.00 C
654
+ ATOM 653 CD2 HIS A 83 29.994 16.217 11.274 1.00 0.00 C
655
+ ATOM 654 ND1 HIS A 83 30.506 18.339 11.396 1.00 0.00 N
656
+ ATOM 655 CE1 HIS A 83 31.632 17.655 11.510 1.00 0.00 C
657
+ ATOM 656 NE2 HIS A 83 31.350 16.366 11.439 1.00 0.00 N
658
+ ATOM 657 N THR A 84 26.429 16.084 13.027 1.00 0.00 N
659
+ ATOM 658 CA THR A 84 26.208 14.957 13.927 1.00 0.00 C
660
+ ATOM 659 C THR A 84 26.322 13.634 13.177 1.00 0.00 C
661
+ ATOM 660 CB THR A 84 24.829 15.047 14.607 1.00 0.00 C
662
+ ATOM 661 O THR A 84 25.916 13.534 12.017 1.00 0.00 O
663
+ ATOM 662 CG2 THR A 84 24.577 13.838 15.502 1.00 0.00 C
664
+ ATOM 663 OG1 THR A 84 24.772 16.238 15.404 1.00 0.00 O
665
+ ATOM 664 N ARG A 85 26.957 12.761 13.782 1.00 0.00 N
666
+ ATOM 665 CA ARG A 85 26.946 11.357 13.383 1.00 0.00 C
667
+ ATOM 666 C ARG A 85 26.337 10.483 14.475 1.00 0.00 C
668
+ ATOM 667 CB ARG A 85 28.364 10.879 13.060 1.00 0.00 C
669
+ ATOM 668 O ARG A 85 26.689 10.611 15.648 1.00 0.00 O
670
+ ATOM 669 CG ARG A 85 29.016 11.624 11.906 1.00 0.00 C
671
+ ATOM 670 CD ARG A 85 30.379 11.043 11.558 1.00 0.00 C
672
+ ATOM 671 NE ARG A 85 31.056 11.831 10.532 1.00 0.00 N
673
+ ATOM 672 NH1 ARG A 85 33.082 10.740 10.737 1.00 0.00 N
674
+ ATOM 673 NH2 ARG A 85 32.839 12.442 9.221 1.00 0.00 N
675
+ ATOM 674 CZ ARG A 85 32.324 11.669 10.166 1.00 0.00 C
676
+ ATOM 675 N CYS A 86 25.472 9.542 14.042 1.00 0.00 N
677
+ ATOM 676 CA CYS A 86 24.781 8.684 14.998 1.00 0.00 C
678
+ ATOM 677 C CYS A 86 24.910 7.217 14.606 1.00 0.00 C
679
+ ATOM 678 CB CYS A 86 23.304 9.067 15.095 1.00 0.00 C
680
+ ATOM 679 O CYS A 86 25.039 6.895 13.423 1.00 0.00 O
681
+ ATOM 680 SG CYS A 86 23.024 10.715 15.782 1.00 0.00 S
682
+ ATOM 681 N LYS A 87 24.835 6.395 15.642 1.00 0.00 N
683
+ ATOM 682 CA LYS A 87 24.834 4.947 15.467 1.00 0.00 C
684
+ ATOM 683 C LYS A 87 23.862 4.278 16.435 1.00 0.00 C
685
+ ATOM 684 CB LYS A 87 26.242 4.381 15.665 1.00 0.00 C
686
+ ATOM 685 O LYS A 87 23.800 4.640 17.612 1.00 0.00 O
687
+ ATOM 686 CG LYS A 87 26.339 2.877 15.460 1.00 0.00 C
688
+ ATOM 687 CD LYS A 87 27.769 2.380 15.630 1.00 0.00 C
689
+ ATOM 688 CE LYS A 87 27.861 0.869 15.472 1.00 0.00 C
690
+ ATOM 689 NZ LYS A 87 29.262 0.379 15.629 1.00 0.00 N
691
+ ATOM 690 N LEU A 88 23.054 3.424 15.902 1.00 0.00 N
692
+ ATOM 691 CA LEU A 88 22.162 2.596 16.706 1.00 0.00 C
693
+ ATOM 692 C LEU A 88 22.928 1.453 17.363 1.00 0.00 C
694
+ ATOM 693 CB LEU A 88 21.027 2.037 15.843 1.00 0.00 C
695
+ ATOM 694 O LEU A 88 23.609 0.683 16.680 1.00 0.00 O
696
+ ATOM 695 CG LEU A 88 19.939 1.255 16.580 1.00 0.00 C
697
+ ATOM 696 CD1 LEU A 88 19.221 2.157 17.579 1.00 0.00 C
698
+ ATOM 697 CD2 LEU A 88 18.948 0.653 15.589 1.00 0.00 C
699
+ ATOM 698 N CYS A 89 22.823 1.467 18.661 1.00 0.00 N
700
+ ATOM 699 CA CYS A 89 23.541 0.474 19.453 1.00 0.00 C
701
+ ATOM 700 C CYS A 89 22.572 -0.469 20.156 1.00 0.00 C
702
+ ATOM 701 CB CYS A 89 24.438 1.159 20.484 1.00 0.00 C
703
+ ATOM 702 O CYS A 89 21.516 -0.042 20.628 1.00 0.00 O
704
+ ATOM 703 SG CYS A 89 25.655 2.279 19.760 1.00 0.00 S
705
+ ATOM 704 N TYR A 90 22.815 -1.804 20.017 1.00 0.00 N
706
+ ATOM 705 CA TYR A 90 21.909 -2.838 20.502 1.00 0.00 C
707
+ ATOM 706 C TYR A 90 22.500 -3.559 21.708 1.00 0.00 C
708
+ ATOM 707 CB TYR A 90 21.600 -3.846 19.391 1.00 0.00 C
709
+ ATOM 708 O TYR A 90 22.760 -4.764 21.653 1.00 0.00 O
710
+ ATOM 709 CG TYR A 90 20.732 -3.288 18.290 1.00 0.00 C
711
+ ATOM 710 CD1 TYR A 90 19.343 -3.366 18.363 1.00 0.00 C
712
+ ATOM 711 CD2 TYR A 90 21.299 -2.683 17.173 1.00 0.00 C
713
+ ATOM 712 CE1 TYR A 90 18.539 -2.854 17.350 1.00 0.00 C
714
+ ATOM 713 CE2 TYR A 90 20.504 -2.169 16.153 1.00 0.00 C
715
+ ATOM 714 OH TYR A 90 18.337 -1.751 15.244 1.00 0.00 O
716
+ ATOM 715 CZ TYR A 90 19.129 -2.258 16.251 1.00 0.00 C
717
+ ATOM 716 N PRO A 91 22.871 -2.787 22.583 1.00 0.00 N
718
+ ATOM 717 CA PRO A 91 23.052 -3.610 23.780 1.00 0.00 C
719
+ ATOM 718 C PRO A 91 21.728 -4.096 24.366 1.00 0.00 C
720
+ ATOM 719 CB PRO A 91 23.765 -2.667 24.753 1.00 0.00 C
721
+ ATOM 720 O PRO A 91 20.699 -4.068 23.685 1.00 0.00 O
722
+ ATOM 721 CG PRO A 91 23.342 -1.296 24.336 1.00 0.00 C
723
+ ATOM 722 CD PRO A 91 22.947 -1.338 22.888 1.00 0.00 C
724
+ ATOM 723 N MET A 92 21.597 -4.635 25.650 1.00 0.00 N
725
+ ATOM 724 CA MET A 92 20.343 -5.068 26.258 1.00 0.00 C
726
+ ATOM 725 C MET A 92 19.197 -4.143 25.862 1.00 0.00 C
727
+ ATOM 726 CB MET A 92 20.473 -5.116 27.782 1.00 0.00 C
728
+ ATOM 727 O MET A 92 18.182 -4.597 25.334 1.00 0.00 O
729
+ ATOM 728 CG MET A 92 21.324 -6.269 28.289 1.00 0.00 C
730
+ ATOM 729 SD MET A 92 20.892 -6.762 30.003 1.00 0.00 S
731
+ ATOM 730 CE MET A 92 19.088 -6.580 29.943 1.00 0.00 C
732
+ ATOM 731 N GLN A 93 19.330 -2.919 25.938 1.00 0.00 N
733
+ ATOM 732 CA GLN A 93 18.359 -1.922 25.501 1.00 0.00 C
734
+ ATOM 733 C GLN A 93 18.933 -1.045 24.391 1.00 0.00 C
735
+ ATOM 734 CB GLN A 93 17.912 -1.054 26.678 1.00 0.00 C
736
+ ATOM 735 O GLN A 93 20.009 -0.465 24.545 1.00 0.00 O
737
+ ATOM 736 CG GLN A 93 16.741 -0.134 26.355 1.00 0.00 C
738
+ ATOM 737 CD GLN A 93 16.185 0.559 27.584 1.00 0.00 C
739
+ ATOM 738 NE2 GLN A 93 15.130 1.346 27.394 1.00 0.00 N
740
+ ATOM 739 OE1 GLN A 93 16.695 0.388 28.695 1.00 0.00 O
741
+ ATOM 740 N PRO A 94 18.269 -1.058 23.216 1.00 0.00 N
742
+ ATOM 741 CA PRO A 94 18.810 -0.259 22.114 1.00 0.00 C
743
+ ATOM 742 C PRO A 94 18.871 1.231 22.440 1.00 0.00 C
744
+ ATOM 743 CB PRO A 94 17.828 -0.527 20.970 1.00 0.00 C
745
+ ATOM 744 O PRO A 94 17.988 1.754 23.126 1.00 0.00 O
746
+ ATOM 745 CG PRO A 94 16.594 -1.039 21.638 1.00 0.00 C
747
+ ATOM 746 CD PRO A 94 16.975 -1.604 22.976 1.00 0.00 C
748
+ ATOM 747 N PHE A 95 19.849 1.863 22.114 1.00 0.00 N
749
+ ATOM 748 CA PHE A 95 19.988 3.310 22.222 1.00 0.00 C
750
+ ATOM 749 C PHE A 95 20.759 3.870 21.033 1.00 0.00 C
751
+ ATOM 750 CB PHE A 95 20.693 3.687 23.529 1.00 0.00 C
752
+ ATOM 751 O PHE A 95 21.387 3.119 20.284 1.00 0.00 O
753
+ ATOM 752 CG PHE A 95 22.129 3.242 23.596 1.00 0.00 C
754
+ ATOM 753 CD1 PHE A 95 22.460 1.987 24.091 1.00 0.00 C
755
+ ATOM 754 CD2 PHE A 95 23.148 4.080 23.162 1.00 0.00 C
756
+ ATOM 755 CE1 PHE A 95 23.789 1.573 24.153 1.00 0.00 C
757
+ ATOM 756 CE2 PHE A 95 24.477 3.673 23.221 1.00 0.00 C
758
+ ATOM 757 CZ PHE A 95 24.796 2.419 23.718 1.00 0.00 C
759
+ ATOM 758 N ILE A 96 20.673 5.101 20.876 1.00 0.00 N
760
+ ATOM 759 CA ILE A 96 21.365 5.809 19.804 1.00 0.00 C
761
+ ATOM 760 C ILE A 96 22.524 6.616 20.385 1.00 0.00 C
762
+ ATOM 761 CB ILE A 96 20.403 6.735 19.025 1.00 0.00 C
763
+ ATOM 762 O ILE A 96 22.334 7.413 21.307 1.00 0.00 O
764
+ ATOM 763 CG1 ILE A 96 19.254 5.922 18.420 1.00 0.00 C
765
+ ATOM 764 CG2 ILE A 96 21.159 7.508 17.941 1.00 0.00 C
766
+ ATOM 765 CD1 ILE A 96 18.071 6.767 17.965 1.00 0.00 C
767
+ ATOM 766 N MET A 97 23.759 6.372 19.889 1.00 0.00 N
768
+ ATOM 767 CA MET A 97 24.914 7.196 20.233 1.00 0.00 C
769
+ ATOM 768 C MET A 97 25.152 8.270 19.177 1.00 0.00 C
770
+ ATOM 769 CB MET A 97 26.166 6.329 20.389 1.00 0.00 C
771
+ ATOM 770 O MET A 97 25.172 7.976 17.981 1.00 0.00 O
772
+ ATOM 771 CG MET A 97 26.221 5.563 21.700 1.00 0.00 C
773
+ ATOM 772 SD MET A 97 27.877 4.841 22.024 1.00 0.00 S
774
+ ATOM 773 CE MET A 97 28.933 6.240 21.552 1.00 0.00 C
775
+ ATOM 774 N GLY A 98 25.233 9.422 19.601 1.00 0.00 N
776
+ ATOM 775 CA GLY A 98 25.529 10.509 18.682 1.00 0.00 C
777
+ ATOM 776 C GLY A 98 26.797 11.263 19.034 1.00 0.00 C
778
+ ATOM 777 O GLY A 98 27.076 11.501 20.211 1.00 0.00 O
779
+ ATOM 778 N ILE A 99 27.598 11.601 18.075 1.00 0.00 N
780
+ ATOM 779 CA ILE A 99 28.732 12.503 18.240 1.00 0.00 C
781
+ ATOM 780 C ILE A 99 28.469 13.805 17.485 1.00 0.00 C
782
+ ATOM 781 CB ILE A 99 30.046 11.855 17.750 1.00 0.00 C
783
+ ATOM 782 O ILE A 99 28.175 13.786 16.287 1.00 0.00 O
784
+ ATOM 783 CG1 ILE A 99 31.248 12.728 18.132 1.00 0.00 C
785
+ ATOM 784 CG2 ILE A 99 30.001 11.618 16.238 1.00 0.00 C
786
+ ATOM 785 CD1 ILE A 99 32.593 12.032 17.979 1.00 0.00 C
787
+ ATOM 786 N HIS A 100 28.544 14.865 18.184 1.00 0.00 N
788
+ ATOM 787 CA HIS A 100 28.356 16.197 17.621 1.00 0.00 C
789
+ ATOM 788 C HIS A 100 29.686 16.931 17.486 1.00 0.00 C
790
+ ATOM 789 CB HIS A 100 27.392 17.011 18.485 1.00 0.00 C
791
+ ATOM 790 O HIS A 100 30.304 17.294 18.489 1.00 0.00 O
792
+ ATOM 791 CG HIS A 100 26.103 16.308 18.773 1.00 0.00 C
793
+ ATOM 792 CD2 HIS A 100 25.789 15.372 19.699 1.00 0.00 C
794
+ ATOM 793 ND1 HIS A 100 24.950 16.545 18.056 1.00 0.00 N
795
+ ATOM 794 CE1 HIS A 100 23.980 15.782 18.531 1.00 0.00 C
796
+ ATOM 795 NE2 HIS A 100 24.463 15.061 19.529 1.00 0.00 N
797
+ ATOM 796 N ILE A 101 30.048 17.144 16.297 1.00 0.00 N
798
+ ATOM 797 CA ILE A 101 31.352 17.733 16.010 1.00 0.00 C
799
+ ATOM 798 C ILE A 101 31.190 19.220 15.704 1.00 0.00 C
800
+ ATOM 799 CB ILE A 101 32.049 17.016 14.831 1.00 0.00 C
801
+ ATOM 800 O ILE A 101 30.454 19.596 14.789 1.00 0.00 O
802
+ ATOM 801 CG1 ILE A 101 32.205 15.521 15.132 1.00 0.00 C
803
+ ATOM 802 CG2 ILE A 101 33.405 17.661 14.533 1.00 0.00 C
804
+ ATOM 803 CD1 ILE A 101 32.482 14.668 13.902 1.00 0.00 C
805
+ ATOM 804 N ILE A 102 31.845 20.004 16.445 1.00 0.00 N
806
+ ATOM 805 CA ILE A 102 31.774 21.451 16.269 1.00 0.00 C
807
+ ATOM 806 C ILE A 102 32.640 21.870 15.085 1.00 0.00 C
808
+ ATOM 807 CB ILE A 102 32.217 22.197 17.548 1.00 0.00 C
809
+ ATOM 808 O ILE A 102 33.825 21.529 15.022 1.00 0.00 O
810
+ ATOM 809 CG1 ILE A 102 31.388 21.733 18.752 1.00 0.00 C
811
+ ATOM 810 CG2 ILE A 102 32.103 23.712 17.356 1.00 0.00 C
812
+ ATOM 811 CD1 ILE A 102 29.915 22.114 18.673 1.00 0.00 C
813
+ ATOM 812 N ASP A 103 31.997 22.501 14.115 1.00 0.00 N
814
+ ATOM 813 CA ASP A 103 32.734 23.000 12.957 1.00 0.00 C
815
+ ATOM 814 C ASP A 103 33.621 24.184 13.339 1.00 0.00 C
816
+ ATOM 815 CB ASP A 103 31.770 23.405 11.841 1.00 0.00 C
817
+ ATOM 816 O ASP A 103 33.190 25.077 14.071 1.00 0.00 O
818
+ ATOM 817 CG ASP A 103 30.967 22.236 11.298 1.00 0.00 C
819
+ ATOM 818 OD1 ASP A 103 31.460 21.088 11.333 1.00 0.00 O
820
+ ATOM 819 OD2 ASP A 103 29.831 22.465 10.829 1.00 0.00 O
821
+ ATOM 820 N ARG A 104 34.802 24.181 13.043 1.00 0.00 N
822
+ ATOM 821 CA ARG A 104 35.688 25.317 13.273 1.00 0.00 C
823
+ ATOM 822 C ARG A 104 35.360 26.467 12.327 1.00 0.00 C
824
+ ATOM 823 CB ARG A 104 37.151 24.902 13.105 1.00 0.00 C
825
+ ATOM 824 O ARG A 104 34.963 26.242 11.182 1.00 0.00 O
826
+ ATOM 825 CG ARG A 104 37.686 24.054 14.248 1.00 0.00 C
827
+ ATOM 826 CD ARG A 104 39.183 23.812 14.119 1.00 0.00 C
828
+ ATOM 827 NE ARG A 104 39.687 22.967 15.198 1.00 0.00 N
829
+ ATOM 828 NH1 ARG A 104 41.880 22.995 14.473 1.00 0.00 N
830
+ ATOM 829 NH2 ARG A 104 41.307 21.827 16.361 1.00 0.00 N
831
+ ATOM 830 CZ ARG A 104 40.957 22.598 15.341 1.00 0.00 C
832
+ ATOM 831 N GLU A 105 35.316 27.712 12.807 1.00 0.00 N
833
+ ATOM 832 CA GLU A 105 35.247 28.873 11.924 1.00 0.00 C
834
+ ATOM 833 C GLU A 105 36.615 29.197 11.332 1.00 0.00 C
835
+ ATOM 834 CB GLU A 105 34.698 30.088 12.677 1.00 0.00 C
836
+ ATOM 835 O GLU A 105 37.640 29.041 11.999 1.00 0.00 O
837
+ ATOM 836 CG GLU A 105 33.212 29.996 12.992 1.00 0.00 C
838
+ ATOM 837 CD GLU A 105 32.662 31.245 13.661 1.00 0.00 C
839
+ ATOM 838 OE1 GLU A 105 33.445 32.181 13.938 1.00 0.00 O
840
+ ATOM 839 OE2 GLU A 105 31.436 31.289 13.911 1.00 0.00 O
841
+ ATOM 840 OXT GLU A 105 36.027 29.516 10.325 1.00 0.00 O
842
+ TER 841 GLU A 105
843
+ END
1oj5/1oj5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pxk/1pxk_ligand.mol2 ADDED
@@ -0,0 +1,73 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1pxk_ligand
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11
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12
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+
1pxk/1pxk_ligand.sdf ADDED
@@ -0,0 +1,63 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1pxk_ligand
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+ -I-interpret-
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+ 17 28 1 0 0 0
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+ M END
63
+ $$$$
1pxk/1pxk_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pxk/1pxk_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qxl/1qxl_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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16
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The diff for this file is too large to render. See raw diff
 
1qxl/1qxl_protein_processed_fix.pdb ADDED
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1w0z/1w0z_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w0z/1w0z_protein_processed_fix.pdb ADDED
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2bvs/2bvs_protein_esmfold_aligned_tr_fix.pdb ADDED
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2bvs/2bvs_protein_processed_fix.pdb ADDED
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2ewy/2ewy_protein_esmfold_aligned_tr_fix.pdb ADDED
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2ewy/2ewy_protein_processed_fix.pdb ADDED
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2jdp/2jdp_protein_esmfold_aligned_tr_fix.pdb ADDED
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2jdp/2jdp_protein_processed_fix.pdb ADDED
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+ ###
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2rfy/2rfy_protein_processed_fix.pdb ADDED
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2wu6/2wu6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2wu6/2wu6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2xz5/2xz5_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:13:02 2018
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+ ###
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+ 1 ACH 1
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+
2xz5/2xz5_ligand.sdf ADDED
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+ M END
57
+ $$$$
2xz5/2xz5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2xz5/2xz5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ycf/2ycf_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:13:06 2018
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+ ###
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2ycf/2ycf_ligand.sdf ADDED
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+ $$$$