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linbc20 commited on
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1 Parent(s): eb39f8a

Add batch 146

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  1. 188l/188l_ligand.mol2 +52 -0
  2. 188l/188l_ligand.sdf +42 -0
  3. 188l/188l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 188l/188l_protein_processed_fix.pdb +0 -0
  5. 1a85/1a85_ligand.mol2 +126 -0
  6. 1a85/1a85_ligand.sdf +116 -0
  7. 1a85/1a85_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1a85/1a85_protein_processed_fix.pdb +0 -0
  9. 1aze/1aze_ligand.mol2 +374 -0
  10. 1aze/1aze_ligand.sdf +360 -0
  11. 1aze/1aze_protein_esmfold_aligned_tr_fix.pdb +458 -0
  12. 1aze/1aze_protein_processed_fix.pdb +906 -0
  13. 1gzg/1gzg_ligand.mol2 +45 -0
  14. 1gzg/1gzg_ligand.sdf +37 -0
  15. 1gzg/1gzg_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1gzg/1gzg_protein_processed_fix.pdb +0 -0
  17. 1qf4/1qf4_ligand.mol2 +117 -0
  18. 1qf4/1qf4_ligand.sdf +113 -0
  19. 1qf4/1qf4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1qf4/1qf4_protein_processed_fix.pdb +0 -0
  21. 1t46/1t46_ligand.mol2 +160 -0
  22. 1t46/1t46_ligand.sdf +150 -0
  23. 1t46/1t46_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1t46/1t46_protein_processed_fix.pdb +0 -0
  25. 1xor/1xor_ligand.mol2 +75 -0
  26. 1xor/1xor_ligand.sdf +65 -0
  27. 1xor/1xor_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1xor/1xor_protein_processed_fix.pdb +0 -0
  29. 1xsc/1xsc_ligand.mol2 +104 -0
  30. 1xsc/1xsc_ligand.sdf +102 -0
  31. 1xsc/1xsc_protein_esmfold_aligned_tr_fix.pdb +1221 -0
  32. 1xsc/1xsc_protein_processed_fix.pdb +0 -0
  33. 2am2/2am2_ligand.mol2 +114 -0
  34. 2am2/2am2_ligand.sdf +104 -0
  35. 2am2/2am2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 2am2/2am2_protein_processed_fix.pdb +0 -0
  37. 2bpy/2bpy_ligand.mol2 +236 -0
  38. 2bpy/2bpy_ligand.sdf +226 -0
  39. 2bpy/2bpy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2bpy/2bpy_protein_processed_fix.pdb +0 -0
  41. 2bro/2bro_ligand.mol2 +113 -0
  42. 2bro/2bro_ligand.sdf +101 -0
  43. 2bro/2bro_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2bro/2bro_protein_processed_fix.pdb +0 -0
  45. 2c6n/2c6n_ligand.mol2 +133 -0
  46. 2c6n/2c6n_ligand.sdf +127 -0
  47. 2c6n/2c6n_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2c6n/2c6n_protein_processed_fix.pdb +0 -0
  49. 2clk/2clk_ligand.mol2 +45 -0
  50. 2clk/2clk_ligand.sdf +39 -0
188l/188l_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+ @<TRIPOS>MOLECULE
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+ 5 C5 26.0190 5.4030 5.0400 C.ar 1 OXE -0.0755
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+ 6 C6 26.4360 6.6760 5.4130 C.ar 1 OXE -0.0671
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+ 8 C2' 28.4530 7.7660 2.3490 C.3 1 OXE -0.0336
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+ 12 H4 26.1790 7.0719 6.3888 H 1 OXE 0.0537
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+ 13 H5 28.2224 9.2771 3.9505 H 1 OXE 0.0376
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+ 14 H6 28.2661 8.8833 5.7025 H 1 OXE 0.0376
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+ 15 H7 26.7534 9.5041 4.9589 H 1 OXE 0.0376
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+ 16 H8 28.5873 8.7727 2.7714 H 1 OXE 0.0376
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+ 17 H9 27.9767 7.8437 1.3606 H 1 OXE 0.0376
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+ 18 H10 29.4333 7.2777 2.2463 H 1 OXE 0.0376
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+ @<TRIPOS>BOND
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+ @<TRIPOS>SUBSTRUCTURE
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188l/188l_ligand.sdf ADDED
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+ 188l_ligand
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+ -I-interpret-
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+
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+ 18 18 0 0 0 0 0 0 0 0999 V2000
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+ 27.2140 7.4650 4.4890 C 0 0 0 0 0
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+ 26.1127 3.8800 3.5131 H 0 0 0 0 0
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+ 25.3767 4.8190 5.6992 H 0 0 0 0 0
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+ 26.1775 7.0741 6.3942 H 0 0 0 0 0
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+ 27.2904 9.1557 5.7893 H 0 0 0 0 0
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+ 8 17 1 0 0 0
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+ 8 18 1 0 0 0
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+ M END
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+ $$$$
188l/188l_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
188l/188l_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a85/1a85_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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1a85/1a85_ligand.sdf ADDED
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+ M END
116
+ $$$$
1a85/1a85_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a85/1a85_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1aze/1aze_ligand.mol2 ADDED
@@ -0,0 +1,374 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1aze_ligand
7
+ 177 181 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -8.2450 -17.4670 4.6460 N.4 1 VAL 0.2381
14
+ 2 CA -8.5770 -16.0670 4.9970 C.3 1 VAL 0.0675
15
+ 3 C -7.8090 -15.0810 4.0930 C.2 1 VAL 0.2295
16
+ 4 O -6.5860 -15.1910 4.0010 O.2 1 VAL -0.3905
17
+ 5 CB -8.3300 -15.7940 6.4980 C.3 1 VAL 0.0139
18
+ 6 CG1 -8.5050 -14.3130 6.8840 C.3 1 VAL -0.0553
19
+ 7 CG2 -9.2920 -16.6310 7.3580 C.3 1 VAL -0.0553
20
+ 8 H1 -8.4151 -17.6165 3.6638 H 1 VAL 0.2015
21
+ 9 H2 -8.8204 -18.0943 5.1859 H 1 VAL 0.2015
22
+ 10 H3 -7.2736 -17.6431 4.8493 H 1 VAL 0.2015
23
+ 11 H4 -9.6508 -15.9209 4.8084 H 1 VAL 0.1101
24
+ 12 H5 -7.2964 -16.0908 6.7292 H 1 VAL 0.0376
25
+ 13 H6 -8.3156 -14.1898 7.9605 H 1 VAL 0.0236
26
+ 14 H7 -9.5318 -13.9928 6.6534 H 1 VAL 0.0236
27
+ 15 H8 -7.7926 -13.6988 6.3138 H 1 VAL 0.0236
28
+ 16 H9 -9.1843 -17.6946 7.0990 H 1 VAL 0.0236
29
+ 17 H10 -10.3270 -16.3104 7.1681 H 1 VAL 0.0236
30
+ 18 H11 -9.0528 -16.4867 8.4219 H 1 VAL 0.0236
31
+ 19 N -8.4930 -14.1370 3.4140 N.am 1 PRO -0.2471
32
+ 20 CA -7.8730 -13.2060 2.4740 C.3 1 PRO 0.1341
33
+ 21 C -7.1450 -12.0590 3.2060 C.2 1 PRO 0.2066
34
+ 22 O -7.4680 -11.7630 4.3580 O.2 1 PRO -0.3942
35
+ 23 CB -9.0370 -12.6850 1.6190 C.3 1 PRO -0.0104
36
+ 24 CG -10.2080 -12.6870 2.6010 C.3 1 PRO -0.0281
37
+ 25 CD -9.9340 -13.9180 3.4690 C.3 1 PRO 0.0371
38
+ 26 H12 -7.1472 -13.7365 1.8402 H 1 PRO 0.0802
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+ 27 H13 -9.2331 -13.3534 0.7677 H 1 PRO 0.0313
40
+ 28 H14 -8.8327 -11.6696 1.2486 H 1 PRO 0.0313
41
+ 29 H15 -11.1671 -12.7835 2.0711 H 1 PRO 0.0287
42
+ 30 H16 -10.2152 -11.7698 3.2082 H 1 PRO 0.0287
43
+ 31 H17 -10.2531 -13.7334 4.5054 H 1 PRO 0.0524
44
+ 32 H18 -10.4689 -14.7929 3.0709 H 1 PRO 0.0524
45
+ 33 N -6.1730 -11.3940 2.5500 N.am 1 PRO -0.2498
46
+ 34 CA -5.4400 -10.2600 3.1090 C.3 1 PRO 0.1340
47
+ 35 C -6.3870 -9.0520 3.2720 C.2 1 PRO 0.2066
48
+ 36 O -6.9620 -8.6030 2.2800 O.2 1 PRO -0.3942
49
+ 37 CB -4.3010 -9.9800 2.1170 C.3 1 PRO -0.0104
50
+ 38 CG -4.8530 -10.4880 0.7840 C.3 1 PRO -0.0281
51
+ 39 CD -5.7160 -11.6810 1.1970 C.3 1 PRO 0.0369
52
+ 40 H19 -5.0223 -10.5219 4.0923 H 1 PRO 0.0802
53
+ 41 H20 -3.3902 -10.5283 2.3996 H 1 PRO 0.0313
54
+ 42 H21 -4.0801 -8.9036 2.0661 H 1 PRO 0.0313
55
+ 43 H22 -4.0393 -10.8026 0.1140 H 1 PRO 0.0287
56
+ 44 H23 -5.4589 -9.7157 0.2876 H 1 PRO 0.0287
57
+ 45 H24 -6.5745 -11.7856 0.5173 H 1 PRO 0.0524
58
+ 46 H25 -5.1216 -12.6065 1.1822 H 1 PRO 0.0524
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+ 47 N -6.5930 -8.5340 4.5010 N.am 1 PRO -0.2498
60
+ 48 CA -7.5870 -7.5020 4.7820 C.3 1 PRO 0.1338
61
+ 49 C -7.0930 -6.0990 4.3860 C.2 1 PRO 0.2041
62
+ 50 O -5.8930 -5.8220 4.4010 O.2 1 PRO -0.3944
63
+ 51 CB -7.8430 -7.6000 6.2910 C.3 1 PRO -0.0104
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+ 52 CG -6.4790 -8.0290 6.8320 C.3 1 PRO -0.0281
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+ 53 CD -5.9660 -8.9740 5.7420 C.3 1 PRO 0.0369
66
+ 54 H26 -8.5136 -7.7160 4.2291 H 1 PRO 0.0802
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+ 55 H27 -8.6138 -8.3521 6.5152 H 1 PRO 0.0313
68
+ 56 H28 -8.1473 -6.6280 6.7064 H 1 PRO 0.0313
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+ 57 H29 -6.5807 -8.5519 7.7944 H 1 PRO 0.0287
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+ 58 H30 -5.8106 -7.1639 6.9535 H 1 PRO 0.0287
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+ 60 H32 -6.2538 -10.0111 5.9689 H 1 PRO 0.0524
73
+ 61 N -8.0450 -5.2110 4.0620 N.am 1 VAL -0.2635
74
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+ 63 C -8.2920 -2.9850 5.0040 C.2 1 VAL 0.2066
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+ 64 O -9.4910 -2.9760 5.2880 O.2 1 VAL -0.3942
77
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79
+ 67 CG2 -8.1150 -4.1940 1.2750 C.3 1 VAL -0.0584
80
+ 68 H33 -8.9855 -5.5471 4.0125 H 1 VAL 0.1883
81
+ 69 H34 -6.7547 -3.6108 3.6058 H 1 VAL 0.0803
82
+ 70 H35 -9.6725 -3.6351 2.6637 H 1 VAL 0.0343
83
+ 71 H36 -9.0399 -1.6568 1.2888 H 1 VAL 0.0234
84
+ 72 H37 -7.4121 -1.6535 2.0482 H 1 VAL 0.0234
85
+ 73 H38 -8.8690 -1.3213 3.0451 H 1 VAL 0.0234
86
+ 74 H39 -8.2065 -5.2720 1.4736 H 1 VAL 0.0234
87
+ 75 H40 -7.0615 -3.9454 1.0793 H 1 VAL 0.0234
88
+ 76 H41 -8.7232 -3.9300 0.3973 H 1 VAL 0.0234
89
+ 77 N -7.3920 -2.2870 5.7290 N.am 1 PRO -0.2498
90
+ 78 CA -7.7460 -1.4450 6.8750 C.3 1 PRO 0.1340
91
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+ 85 H43 -6.4278 -0.8425 8.5099 H 1 PRO 0.0313
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104
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111
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+ 102 H53 -9.4645 1.7497 9.9975 H 1 PRO 0.0287
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+ 105 N -9.7230 3.5950 6.0900 N.am 1 ARG -0.2637
118
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119
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122
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125
+ 113 CZ -10.4810 7.1590 0.7230 C.cat 1 ARG 0.2882
126
+ 114 NH1 -9.4370 7.3270 -0.0940 N.pl3 1 ARG -0.2849
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+ 115 NH2 -11.5440 7.9540 0.5730 N.pl3 1 ARG -0.2849
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+ 116 H56 -10.5869 3.4242 5.6163 H 1 ARG 0.1883
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142
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143
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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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156
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157
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158
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160
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166
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167
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168
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169
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170
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172
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173
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174
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175
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176
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177
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+ @<TRIPOS>BOND
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 VAL 1
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1aze/1aze_ligand.sdf ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N MET A 1 12.191 3.435 1.331 1.00 0.00 N
3
+ ATOM 2 CA MET A 1 12.386 1.999 1.510 1.00 0.00 C
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+ ATOM 3 C MET A 1 11.666 1.212 0.421 1.00 0.00 C
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+ ATOM 4 CB MET A 1 11.891 1.558 2.889 1.00 0.00 C
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+ ATOM 5 O MET A 1 10.662 1.676 -0.125 1.00 0.00 O
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+ ATOM 6 CG MET A 1 12.722 2.098 4.041 1.00 0.00 C
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+ ATOM 7 SD MET A 1 12.014 1.672 5.680 1.00 0.00 S
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+ ATOM 8 CE MET A 1 10.817 3.023 5.872 1.00 0.00 C
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+ ATOM 9 N GLU A 2 12.175 0.016 0.035 1.00 0.00 N
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+ ATOM 10 CA GLU A 2 11.534 -0.828 -0.968 1.00 0.00 C
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+ ATOM 11 C GLU A 2 10.658 -1.893 -0.315 1.00 0.00 C
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+ ATOM 12 CB GLU A 2 12.584 -1.490 -1.865 1.00 0.00 C
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+ ATOM 13 O GLU A 2 10.969 -2.378 0.776 1.00 0.00 O
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+ ATOM 14 CG GLU A 2 13.320 -0.514 -2.772 1.00 0.00 C
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+ ATOM 15 CD GLU A 2 14.265 -1.197 -3.747 1.00 0.00 C
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+ ATOM 16 OE1 GLU A 2 14.742 -2.315 -3.448 1.00 0.00 O
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+ ATOM 17 OE2 GLU A 2 14.532 -0.609 -4.818 1.00 0.00 O
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+ ATOM 18 N ALA A 3 9.579 -2.171 -0.988 1.00 0.00 N
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+ ATOM 19 CA ALA A 3 8.675 -3.241 -0.573 1.00 0.00 C
21
+ ATOM 20 C ALA A 3 8.202 -4.056 -1.773 1.00 0.00 C
22
+ ATOM 21 CB ALA A 3 7.480 -2.665 0.181 1.00 0.00 C
23
+ ATOM 22 O ALA A 3 8.159 -3.550 -2.896 1.00 0.00 O
24
+ ATOM 23 N ILE A 4 7.942 -5.336 -1.554 1.00 0.00 N
25
+ ATOM 24 CA ILE A 4 7.395 -6.208 -2.588 1.00 0.00 C
26
+ ATOM 25 C ILE A 4 5.922 -6.490 -2.299 1.00 0.00 C
27
+ ATOM 26 CB ILE A 4 8.185 -7.532 -2.687 1.00 0.00 C
28
+ ATOM 27 O ILE A 4 5.555 -6.809 -1.167 1.00 0.00 O
29
+ ATOM 28 CG1 ILE A 4 9.644 -7.255 -3.064 1.00 0.00 C
30
+ ATOM 29 CG2 ILE A 4 7.529 -8.478 -3.696 1.00 0.00 C
31
+ ATOM 30 CD1 ILE A 4 10.559 -8.465 -2.927 1.00 0.00 C
32
+ ATOM 31 N ALA A 5 5.049 -6.329 -3.311 1.00 0.00 N
33
+ ATOM 32 CA ALA A 5 3.625 -6.620 -3.175 1.00 0.00 C
34
+ ATOM 33 C ALA A 5 3.384 -8.119 -3.026 1.00 0.00 C
35
+ ATOM 34 CB ALA A 5 2.853 -6.078 -4.377 1.00 0.00 C
36
+ ATOM 35 O ALA A 5 3.903 -8.920 -3.807 1.00 0.00 O
37
+ ATOM 36 N LYS A 6 2.520 -8.513 -2.020 1.00 0.00 N
38
+ ATOM 37 CA LYS A 6 2.233 -9.923 -1.765 1.00 0.00 C
39
+ ATOM 38 C LYS A 6 0.953 -10.359 -2.471 1.00 0.00 C
40
+ ATOM 39 CB LYS A 6 2.120 -10.184 -0.263 1.00 0.00 C
41
+ ATOM 40 O LYS A 6 0.718 -11.555 -2.659 1.00 0.00 O
42
+ ATOM 41 CG LYS A 6 3.412 -9.951 0.506 1.00 0.00 C
43
+ ATOM 42 CD LYS A 6 3.199 -10.073 2.009 1.00 0.00 C
44
+ ATOM 43 CE LYS A 6 2.886 -11.507 2.415 1.00 0.00 C
45
+ ATOM 44 NZ LYS A 6 2.436 -11.594 3.836 1.00 0.00 N
46
+ ATOM 45 N VAL A 7 0.163 -9.426 -2.730 1.00 0.00 N
47
+ ATOM 46 CA VAL A 7 -1.105 -9.678 -3.406 1.00 0.00 C
48
+ ATOM 47 C VAL A 7 -1.427 -8.520 -4.350 1.00 0.00 C
49
+ ATOM 48 CB VAL A 7 -2.257 -9.878 -2.396 1.00 0.00 C
50
+ ATOM 49 O VAL A 7 -0.772 -7.477 -4.308 1.00 0.00 O
51
+ ATOM 50 CG1 VAL A 7 -1.952 -11.039 -1.452 1.00 0.00 C
52
+ ATOM 51 CG2 VAL A 7 -2.503 -8.593 -1.606 1.00 0.00 C
53
+ ATOM 52 N ASP A 8 -2.394 -8.797 -5.217 1.00 0.00 N
54
+ ATOM 53 CA ASP A 8 -2.939 -7.709 -6.024 1.00 0.00 C
55
+ ATOM 54 C ASP A 8 -3.752 -6.743 -5.166 1.00 0.00 C
56
+ ATOM 55 CB ASP A 8 -3.806 -8.264 -7.158 1.00 0.00 C
57
+ ATOM 56 O ASP A 8 -4.433 -7.161 -4.227 1.00 0.00 O
58
+ ATOM 57 CG ASP A 8 -3.001 -9.004 -8.211 1.00 0.00 C
59
+ ATOM 58 OD1 ASP A 8 -1.754 -9.025 -8.123 1.00 0.00 O
60
+ ATOM 59 OD2 ASP A 8 -3.618 -9.570 -9.138 1.00 0.00 O
61
+ ATOM 60 N PHE A 9 -3.627 -5.491 -5.470 1.00 0.00 N
62
+ ATOM 61 CA PHE A 9 -4.479 -4.484 -4.848 1.00 0.00 C
63
+ ATOM 62 C PHE A 9 -5.063 -3.545 -5.897 1.00 0.00 C
64
+ ATOM 63 CB PHE A 9 -3.693 -3.682 -3.805 1.00 0.00 C
65
+ ATOM 64 O PHE A 9 -4.326 -2.963 -6.696 1.00 0.00 O
66
+ ATOM 65 CG PHE A 9 -4.512 -2.634 -3.102 1.00 0.00 C
67
+ ATOM 66 CD1 PHE A 9 -5.595 -2.993 -2.309 1.00 0.00 C
68
+ ATOM 67 CD2 PHE A 9 -4.199 -1.287 -3.235 1.00 0.00 C
69
+ ATOM 68 CE1 PHE A 9 -6.355 -2.025 -1.658 1.00 0.00 C
70
+ ATOM 69 CE2 PHE A 9 -4.953 -0.314 -2.586 1.00 0.00 C
71
+ ATOM 70 CZ PHE A 9 -6.031 -0.684 -1.799 1.00 0.00 C
72
+ ATOM 71 N LYS A 10 -6.387 -3.395 -5.905 1.00 0.00 N
73
+ ATOM 72 CA LYS A 10 -7.072 -2.432 -6.763 1.00 0.00 C
74
+ ATOM 73 C LYS A 10 -7.554 -1.227 -5.962 1.00 0.00 C
75
+ ATOM 74 CB LYS A 10 -8.253 -3.094 -7.476 1.00 0.00 C
76
+ ATOM 75 O LYS A 10 -8.297 -1.377 -4.990 1.00 0.00 O
77
+ ATOM 76 CG LYS A 10 -8.931 -2.204 -8.506 1.00 0.00 C
78
+ ATOM 77 CD LYS A 10 -10.043 -2.944 -9.239 1.00 0.00 C
79
+ ATOM 78 CE LYS A 10 -10.709 -2.060 -10.285 1.00 0.00 C
80
+ ATOM 79 NZ LYS A 10 -11.773 -2.794 -11.034 1.00 0.00 N
81
+ ATOM 80 N ALA A 11 -7.135 -0.017 -6.383 1.00 0.00 N
82
+ ATOM 81 CA ALA A 11 -7.508 1.237 -5.736 1.00 0.00 C
83
+ ATOM 82 C ALA A 11 -9.015 1.470 -5.818 1.00 0.00 C
84
+ ATOM 83 CB ALA A 11 -6.757 2.407 -6.368 1.00 0.00 C
85
+ ATOM 84 O ALA A 11 -9.630 1.231 -6.860 1.00 0.00 O
86
+ ATOM 85 N THR A 12 -9.620 1.864 -4.655 1.00 0.00 N
87
+ ATOM 86 CA THR A 12 -11.044 2.177 -4.620 1.00 0.00 C
88
+ ATOM 87 C THR A 12 -11.265 3.664 -4.358 1.00 0.00 C
89
+ ATOM 88 CB THR A 12 -11.772 1.351 -3.544 1.00 0.00 C
90
+ ATOM 89 O THR A 12 -12.398 4.147 -4.404 1.00 0.00 O
91
+ ATOM 90 CG2 THR A 12 -11.654 -0.144 -3.825 1.00 0.00 C
92
+ ATOM 91 OG1 THR A 12 -11.196 1.632 -2.263 1.00 0.00 O
93
+ ATOM 92 N ALA A 13 -10.228 4.359 -4.062 1.00 0.00 N
94
+ ATOM 93 CA ALA A 13 -10.262 5.801 -3.832 1.00 0.00 C
95
+ ATOM 94 C ALA A 13 -9.180 6.512 -4.641 1.00 0.00 C
96
+ ATOM 95 CB ALA A 13 -10.099 6.107 -2.346 1.00 0.00 C
97
+ ATOM 96 O ALA A 13 -8.189 5.895 -5.040 1.00 0.00 O
98
+ ATOM 97 N ASP A 14 -9.359 7.737 -4.861 1.00 0.00 N
99
+ ATOM 98 CA ASP A 14 -8.463 8.512 -5.714 1.00 0.00 C
100
+ ATOM 99 C ASP A 14 -7.054 8.565 -5.126 1.00 0.00 C
101
+ ATOM 100 CB ASP A 14 -9.003 9.930 -5.913 1.00 0.00 C
102
+ ATOM 101 O ASP A 14 -6.071 8.676 -5.862 1.00 0.00 O
103
+ ATOM 102 CG ASP A 14 -10.184 9.987 -6.865 1.00 0.00 C
104
+ ATOM 103 OD1 ASP A 14 -10.422 9.004 -7.600 1.00 0.00 O
105
+ ATOM 104 OD2 ASP A 14 -10.881 11.024 -6.883 1.00 0.00 O
106
+ ATOM 105 N ASP A 15 -6.927 8.478 -3.861 1.00 0.00 N
107
+ ATOM 106 CA ASP A 15 -5.612 8.668 -3.255 1.00 0.00 C
108
+ ATOM 107 C ASP A 15 -4.927 7.328 -2.998 1.00 0.00 C
109
+ ATOM 108 CB ASP A 15 -5.733 9.457 -1.950 1.00 0.00 C
110
+ ATOM 109 O ASP A 15 -3.896 7.271 -2.325 1.00 0.00 O
111
+ ATOM 110 CG ASP A 15 -6.692 8.821 -0.959 1.00 0.00 C
112
+ ATOM 111 OD1 ASP A 15 -7.378 7.840 -1.318 1.00 0.00 O
113
+ ATOM 112 OD2 ASP A 15 -6.763 9.307 0.190 1.00 0.00 O
114
+ ATOM 113 N GLU A 16 -5.535 6.214 -3.515 1.00 0.00 N
115
+ ATOM 114 CA GLU A 16 -4.941 4.886 -3.391 1.00 0.00 C
116
+ ATOM 115 C GLU A 16 -4.145 4.517 -4.639 1.00 0.00 C
117
+ ATOM 116 CB GLU A 16 -6.023 3.835 -3.128 1.00 0.00 C
118
+ ATOM 117 O GLU A 16 -4.392 5.055 -5.721 1.00 0.00 O
119
+ ATOM 118 CG GLU A 16 -6.695 3.971 -1.769 1.00 0.00 C
120
+ ATOM 119 CD GLU A 16 -7.820 2.971 -1.553 1.00 0.00 C
121
+ ATOM 120 OE1 GLU A 16 -8.169 2.236 -2.505 1.00 0.00 O
122
+ ATOM 121 OE2 GLU A 16 -8.357 2.923 -0.424 1.00 0.00 O
123
+ ATOM 122 N LEU A 17 -3.173 3.653 -4.527 1.00 0.00 N
124
+ ATOM 123 CA LEU A 17 -2.290 3.166 -5.581 1.00 0.00 C
125
+ ATOM 124 C LEU A 17 -2.539 1.687 -5.859 1.00 0.00 C
126
+ ATOM 125 CB LEU A 17 -0.824 3.386 -5.197 1.00 0.00 C
127
+ ATOM 126 O LEU A 17 -2.477 0.861 -4.946 1.00 0.00 O
128
+ ATOM 127 CG LEU A 17 0.217 2.989 -6.245 1.00 0.00 C
129
+ ATOM 128 CD1 LEU A 17 0.115 3.898 -7.466 1.00 0.00 C
130
+ ATOM 129 CD2 LEU A 17 1.620 3.040 -5.650 1.00 0.00 C
131
+ ATOM 130 N SER A 18 -2.927 1.373 -7.010 1.00 0.00 N
132
+ ATOM 131 CA SER A 18 -3.081 -0.017 -7.429 1.00 0.00 C
133
+ ATOM 132 C SER A 18 -1.730 -0.661 -7.714 1.00 0.00 C
134
+ ATOM 133 CB SER A 18 -3.972 -0.107 -8.669 1.00 0.00 C
135
+ ATOM 134 O SER A 18 -0.814 -0.001 -8.210 1.00 0.00 O
136
+ ATOM 135 OG SER A 18 -5.278 0.366 -8.388 1.00 0.00 O
137
+ ATOM 136 N PHE A 19 -1.610 -1.893 -7.450 1.00 0.00 N
138
+ ATOM 137 CA PHE A 19 -0.404 -2.649 -7.768 1.00 0.00 C
139
+ ATOM 138 C PHE A 19 -0.723 -4.130 -7.935 1.00 0.00 C
140
+ ATOM 139 CB PHE A 19 0.655 -2.458 -6.678 1.00 0.00 C
141
+ ATOM 140 O PHE A 19 -1.810 -4.582 -7.571 1.00 0.00 O
142
+ ATOM 141 CG PHE A 19 0.158 -2.763 -5.291 1.00 0.00 C
143
+ ATOM 142 CD1 PHE A 19 -0.298 -1.745 -4.462 1.00 0.00 C
144
+ ATOM 143 CD2 PHE A 19 0.149 -4.066 -4.814 1.00 0.00 C
145
+ ATOM 144 CE1 PHE A 19 -0.757 -2.023 -3.177 1.00 0.00 C
146
+ ATOM 145 CE2 PHE A 19 -0.309 -4.353 -3.531 1.00 0.00 C
147
+ ATOM 146 CZ PHE A 19 -0.761 -3.330 -2.714 1.00 0.00 C
148
+ ATOM 147 N LYS A 20 0.207 -4.934 -8.535 1.00 0.00 N
149
+ ATOM 148 CA LYS A 20 0.109 -6.375 -8.743 1.00 0.00 C
150
+ ATOM 149 C LYS A 20 1.101 -7.127 -7.860 1.00 0.00 C
151
+ ATOM 150 CB LYS A 20 0.348 -6.722 -10.213 1.00 0.00 C
152
+ ATOM 151 O LYS A 20 2.162 -6.600 -7.523 1.00 0.00 O
153
+ ATOM 152 CG LYS A 20 -0.661 -6.101 -11.168 1.00 0.00 C
154
+ ATOM 153 CD LYS A 20 -2.027 -6.765 -11.048 1.00 0.00 C
155
+ ATOM 154 CE LYS A 20 -2.972 -6.302 -12.149 1.00 0.00 C
156
+ ATOM 155 NZ LYS A 20 -4.337 -6.888 -11.988 1.00 0.00 N
157
+ ATOM 156 N ARG A 21 0.699 -8.331 -7.563 1.00 0.00 N
158
+ ATOM 157 CA ARG A 21 1.641 -9.185 -6.845 1.00 0.00 C
159
+ ATOM 158 C ARG A 21 3.010 -9.176 -7.517 1.00 0.00 C
160
+ ATOM 159 CB ARG A 21 1.109 -10.617 -6.758 1.00 0.00 C
161
+ ATOM 160 O ARG A 21 3.114 -9.376 -8.729 1.00 0.00 O
162
+ ATOM 161 CG ARG A 21 2.001 -11.558 -5.962 1.00 0.00 C
163
+ ATOM 162 CD ARG A 21 1.426 -12.966 -5.904 1.00 0.00 C
164
+ ATOM 163 NE ARG A 21 2.258 -13.856 -5.101 1.00 0.00 N
165
+ ATOM 164 NH1 ARG A 21 0.604 -15.432 -4.757 1.00 0.00 N
166
+ ATOM 165 NH2 ARG A 21 2.692 -15.739 -3.860 1.00 0.00 N
167
+ ATOM 166 CZ ARG A 21 1.850 -15.007 -4.574 1.00 0.00 C
168
+ ATOM 167 N GLY A 22 4.023 -8.945 -6.711 1.00 0.00 N
169
+ ATOM 168 CA GLY A 22 5.379 -8.990 -7.233 1.00 0.00 C
170
+ ATOM 169 C GLY A 22 5.940 -7.618 -7.556 1.00 0.00 C
171
+ ATOM 170 O GLY A 22 7.149 -7.463 -7.739 1.00 0.00 O
172
+ ATOM 171 N ASP A 23 5.065 -6.650 -7.754 1.00 0.00 N
173
+ ATOM 172 CA ASP A 23 5.565 -5.299 -7.990 1.00 0.00 C
174
+ ATOM 173 C ASP A 23 6.484 -4.848 -6.857 1.00 0.00 C
175
+ ATOM 174 CB ASP A 23 4.404 -4.315 -8.147 1.00 0.00 C
176
+ ATOM 175 O ASP A 23 6.272 -5.209 -5.698 1.00 0.00 O
177
+ ATOM 176 CG ASP A 23 3.717 -4.419 -9.498 1.00 0.00 C
178
+ ATOM 177 OD1 ASP A 23 4.269 -5.067 -10.414 1.00 0.00 O
179
+ ATOM 178 OD2 ASP A 23 2.617 -3.847 -9.649 1.00 0.00 O
180
+ ATOM 179 N ILE A 24 7.513 -4.208 -7.159 1.00 0.00 N
181
+ ATOM 180 CA ILE A 24 8.400 -3.571 -6.192 1.00 0.00 C
182
+ ATOM 181 C ILE A 24 7.997 -2.109 -6.007 1.00 0.00 C
183
+ ATOM 182 CB ILE A 24 9.878 -3.667 -6.632 1.00 0.00 C
184
+ ATOM 183 O ILE A 24 8.045 -1.320 -6.955 1.00 0.00 O
185
+ ATOM 184 CG1 ILE A 24 10.292 -5.134 -6.790 1.00 0.00 C
186
+ ATOM 185 CG2 ILE A 24 10.787 -2.946 -5.632 1.00 0.00 C
187
+ ATOM 186 CD1 ILE A 24 11.714 -5.324 -7.301 1.00 0.00 C
188
+ ATOM 187 N LEU A 25 7.641 -1.701 -4.803 1.00 0.00 N
189
+ ATOM 188 CA LEU A 25 7.153 -0.366 -4.477 1.00 0.00 C
190
+ ATOM 189 C LEU A 25 8.199 0.418 -3.690 1.00 0.00 C
191
+ ATOM 190 CB LEU A 25 5.852 -0.450 -3.674 1.00 0.00 C
192
+ ATOM 191 O LEU A 25 8.951 -0.161 -2.902 1.00 0.00 O
193
+ ATOM 192 CG LEU A 25 4.666 -1.115 -4.374 1.00 0.00 C
194
+ ATOM 193 CD1 LEU A 25 3.671 -1.641 -3.346 1.00 0.00 C
195
+ ATOM 194 CD2 LEU A 25 3.990 -0.135 -5.327 1.00 0.00 C
196
+ ATOM 195 N LYS A 26 8.266 1.695 -3.918 1.00 0.00 N
197
+ ATOM 196 CA LYS A 26 9.029 2.592 -3.055 1.00 0.00 C
198
+ ATOM 197 C LYS A 26 8.137 3.213 -1.983 1.00 0.00 C
199
+ ATOM 198 CB LYS A 26 9.698 3.691 -3.882 1.00 0.00 C
200
+ ATOM 199 O LYS A 26 7.211 3.964 -2.297 1.00 0.00 O
201
+ ATOM 200 CG LYS A 26 10.619 4.597 -3.076 1.00 0.00 C
202
+ ATOM 201 CD LYS A 26 11.292 5.639 -3.961 1.00 0.00 C
203
+ ATOM 202 CE LYS A 26 12.206 6.551 -3.155 1.00 0.00 C
204
+ ATOM 203 NZ LYS A 26 12.888 7.559 -4.023 1.00 0.00 N
205
+ ATOM 204 N VAL A 27 8.381 2.899 -0.739 1.00 0.00 N
206
+ ATOM 205 CA VAL A 27 7.611 3.425 0.383 1.00 0.00 C
207
+ ATOM 206 C VAL A 27 8.155 4.793 0.788 1.00 0.00 C
208
+ ATOM 207 CB VAL A 27 7.637 2.463 1.591 1.00 0.00 C
209
+ ATOM 208 O VAL A 27 9.342 4.931 1.092 1.00 0.00 O
210
+ ATOM 209 CG1 VAL A 27 6.892 3.068 2.781 1.00 0.00 C
211
+ ATOM 210 CG2 VAL A 27 7.033 1.113 1.210 1.00 0.00 C
212
+ ATOM 211 N LEU A 28 7.296 5.929 0.680 1.00 0.00 N
213
+ ATOM 212 CA LEU A 28 7.696 7.321 0.850 1.00 0.00 C
214
+ ATOM 213 C LEU A 28 7.638 7.727 2.319 1.00 0.00 C
215
+ ATOM 214 CB LEU A 28 6.802 8.242 0.018 1.00 0.00 C
216
+ ATOM 215 O LEU A 28 8.414 8.577 2.763 1.00 0.00 O
217
+ ATOM 216 CG LEU A 28 6.757 7.967 -1.486 1.00 0.00 C
218
+ ATOM 217 CD1 LEU A 28 5.733 8.873 -2.161 1.00 0.00 C
219
+ ATOM 218 CD2 LEU A 28 8.138 8.156 -2.105 1.00 0.00 C
220
+ ATOM 219 N ASN A 29 6.726 7.209 3.108 1.00 0.00 N
221
+ ATOM 220 CA ASN A 29 6.554 7.466 4.534 1.00 0.00 C
222
+ ATOM 221 C ASN A 29 6.026 6.236 5.266 1.00 0.00 C
223
+ ATOM 222 CB ASN A 29 5.619 8.657 4.754 1.00 0.00 C
224
+ ATOM 223 O ASN A 29 5.106 5.570 4.787 1.00 0.00 O
225
+ ATOM 224 CG ASN A 29 4.194 8.370 4.323 1.00 0.00 C
226
+ ATOM 225 ND2 ASN A 29 3.295 9.314 4.577 1.00 0.00 N
227
+ ATOM 226 OD1 ASN A 29 3.904 7.308 3.766 1.00 0.00 O
228
+ ATOM 227 N GLU A 30 6.594 6.032 6.465 1.00 0.00 N
229
+ ATOM 228 CA GLU A 30 6.215 4.864 7.254 1.00 0.00 C
230
+ ATOM 229 C GLU A 30 5.408 5.267 8.483 1.00 0.00 C
231
+ ATOM 230 CB GLU A 30 7.457 4.075 7.674 1.00 0.00 C
232
+ ATOM 231 O GLU A 30 4.889 4.409 9.199 1.00 0.00 O
233
+ ATOM 232 CG GLU A 30 8.206 3.439 6.512 1.00 0.00 C
234
+ ATOM 233 CD GLU A 30 9.386 2.587 6.952 1.00 0.00 C
235
+ ATOM 234 OE1 GLU A 30 9.608 2.443 8.176 1.00 0.00 O
236
+ ATOM 235 OE2 GLU A 30 10.097 2.063 6.066 1.00 0.00 O
237
+ ATOM 236 N GLU A 31 5.386 6.561 8.859 1.00 0.00 N
238
+ ATOM 237 CA GLU A 31 5.038 6.802 10.256 1.00 0.00 C
239
+ ATOM 238 C GLU A 31 3.635 7.389 10.380 1.00 0.00 C
240
+ ATOM 239 CB GLU A 31 6.058 7.738 10.909 1.00 0.00 C
241
+ ATOM 240 O GLU A 31 3.122 7.554 11.489 1.00 0.00 O
242
+ ATOM 241 CG GLU A 31 7.448 7.133 11.048 1.00 0.00 C
243
+ ATOM 242 CD GLU A 31 8.377 7.960 11.922 1.00 0.00 C
244
+ ATOM 243 OE1 GLU A 31 8.004 9.091 12.305 1.00 0.00 O
245
+ ATOM 244 OE2 GLU A 31 9.489 7.472 12.223 1.00 0.00 O
246
+ ATOM 245 N SER A 32 2.772 7.442 9.299 1.00 0.00 N
247
+ ATOM 246 CA SER A 32 1.673 8.377 9.514 1.00 0.00 C
248
+ ATOM 247 C SER A 32 0.359 7.643 9.755 1.00 0.00 C
249
+ ATOM 248 CB SER A 32 1.528 9.318 8.317 1.00 0.00 C
250
+ ATOM 249 O SER A 32 -0.516 8.140 10.468 1.00 0.00 O
251
+ ATOM 250 OG SER A 32 1.179 8.597 7.149 1.00 0.00 O
252
+ ATOM 251 N ASP A 33 0.164 6.471 9.300 1.00 0.00 N
253
+ ATOM 252 CA ASP A 33 -1.078 5.707 9.352 1.00 0.00 C
254
+ ATOM 253 C ASP A 33 -0.809 4.242 9.689 1.00 0.00 C
255
+ ATOM 254 CB ASP A 33 -1.830 5.812 8.022 1.00 0.00 C
256
+ ATOM 255 O ASP A 33 0.143 3.648 9.179 1.00 0.00 O
257
+ ATOM 256 CG ASP A 33 -3.285 5.393 8.129 1.00 0.00 C
258
+ ATOM 257 OD1 ASP A 33 -3.558 4.212 8.437 1.00 0.00 O
259
+ ATOM 258 OD2 ASP A 33 -4.166 6.248 7.899 1.00 0.00 O
260
+ ATOM 259 N GLN A 34 -1.538 3.777 10.673 1.00 0.00 N
261
+ ATOM 260 CA GLN A 34 -1.337 2.421 11.174 1.00 0.00 C
262
+ ATOM 261 C GLN A 34 -1.600 1.387 10.083 1.00 0.00 C
263
+ ATOM 262 CB GLN A 34 -2.240 2.155 12.379 1.00 0.00 C
264
+ ATOM 263 O GLN A 34 -1.054 0.282 10.124 1.00 0.00 O
265
+ ATOM 264 CG GLN A 34 -1.756 2.805 13.667 1.00 0.00 C
266
+ ATOM 265 CD GLN A 34 -2.605 2.434 14.869 1.00 0.00 C
267
+ ATOM 266 NE2 GLN A 34 -2.228 2.937 16.039 1.00 0.00 N
268
+ ATOM 267 OE1 GLN A 34 -3.592 1.702 14.745 1.00 0.00 O
269
+ ATOM 268 N ASN A 35 -2.347 1.770 9.199 1.00 0.00 N
270
+ ATOM 269 CA ASN A 35 -2.821 0.729 8.292 1.00 0.00 C
271
+ ATOM 270 C ASN A 35 -2.342 0.970 6.864 1.00 0.00 C
272
+ ATOM 271 CB ASN A 35 -4.347 0.636 8.333 1.00 0.00 C
273
+ ATOM 272 O ASN A 35 -2.461 0.091 6.007 1.00 0.00 O
274
+ ATOM 273 CG ASN A 35 -4.867 0.148 9.670 1.00 0.00 C
275
+ ATOM 274 ND2 ASN A 35 -5.876 0.830 10.199 1.00 0.00 N
276
+ ATOM 275 OD1 ASN A 35 -4.365 -0.833 10.225 1.00 0.00 O
277
+ ATOM 276 N TRP A 36 -1.846 2.173 6.598 1.00 0.00 N
278
+ ATOM 277 CA TRP A 36 -1.543 2.565 5.226 1.00 0.00 C
279
+ ATOM 278 C TRP A 36 -0.119 3.101 5.116 1.00 0.00 C
280
+ ATOM 279 CB TRP A 36 -2.538 3.620 4.734 1.00 0.00 C
281
+ ATOM 280 O TRP A 36 0.378 3.754 6.037 1.00 0.00 O
282
+ ATOM 281 CG TRP A 36 -3.974 3.225 4.899 1.00 0.00 C
283
+ ATOM 282 CD1 TRP A 36 -4.776 3.466 5.981 1.00 0.00 C
284
+ ATOM 283 CD2 TRP A 36 -4.779 2.514 3.954 1.00 0.00 C
285
+ ATOM 284 CE2 TRP A 36 -6.060 2.359 4.528 1.00 0.00 C
286
+ ATOM 285 CE3 TRP A 36 -4.541 1.994 2.675 1.00 0.00 C
287
+ ATOM 286 NE1 TRP A 36 -6.032 2.948 5.764 1.00 0.00 N
288
+ ATOM 287 CH2 TRP A 36 -6.841 1.204 2.616 1.00 0.00 C
289
+ ATOM 288 CZ2 TRP A 36 -7.101 1.703 3.865 1.00 0.00 C
290
+ ATOM 289 CZ3 TRP A 36 -5.577 1.342 2.017 1.00 0.00 C
291
+ ATOM 290 N TYR A 37 0.562 2.846 4.043 1.00 0.00 N
292
+ ATOM 291 CA TYR A 37 1.786 3.525 3.633 1.00 0.00 C
293
+ ATOM 292 C TYR A 37 1.536 4.413 2.419 1.00 0.00 C
294
+ ATOM 293 CB TYR A 37 2.885 2.508 3.317 1.00 0.00 C
295
+ ATOM 294 O TYR A 37 0.646 4.136 1.612 1.00 0.00 O
296
+ ATOM 295 CG TYR A 37 3.521 1.900 4.544 1.00 0.00 C
297
+ ATOM 296 CD1 TYR A 37 4.122 2.702 5.510 1.00 0.00 C
298
+ ATOM 297 CD2 TYR A 37 3.522 0.523 4.738 1.00 0.00 C
299
+ ATOM 298 CE1 TYR A 37 4.710 2.147 6.641 1.00 0.00 C
300
+ ATOM 299 CE2 TYR A 37 4.107 -0.044 5.865 1.00 0.00 C
301
+ ATOM 300 OH TYR A 37 5.279 0.220 7.928 1.00 0.00 O
302
+ ATOM 301 CZ TYR A 37 4.698 0.775 6.810 1.00 0.00 C
303
+ ATOM 302 N LYS A 38 2.198 5.531 2.396 1.00 0.00 N
304
+ ATOM 303 CA LYS A 38 2.342 6.196 1.104 1.00 0.00 C
305
+ ATOM 304 C LYS A 38 3.492 5.595 0.300 1.00 0.00 C
306
+ ATOM 305 CB LYS A 38 2.565 7.697 1.296 1.00 0.00 C
307
+ ATOM 306 O LYS A 38 4.603 5.444 0.815 1.00 0.00 O
308
+ ATOM 307 CG LYS A 38 2.356 8.521 0.033 1.00 0.00 C
309
+ ATOM 308 CD LYS A 38 2.418 10.014 0.323 1.00 0.00 C
310
+ ATOM 309 CE LYS A 38 2.069 10.839 -0.908 1.00 0.00 C
311
+ ATOM 310 NZ LYS A 38 2.063 12.303 -0.612 1.00 0.00 N
312
+ ATOM 311 N ALA A 39 3.267 5.267 -0.913 1.00 0.00 N
313
+ ATOM 312 CA ALA A 39 4.262 4.586 -1.738 1.00 0.00 C
314
+ ATOM 313 C ALA A 39 4.230 5.101 -3.174 1.00 0.00 C
315
+ ATOM 314 CB ALA A 39 4.033 3.077 -1.712 1.00 0.00 C
316
+ ATOM 315 O ALA A 39 3.302 5.812 -3.565 1.00 0.00 O
317
+ ATOM 316 N GLU A 40 5.212 4.801 -3.985 1.00 0.00 N
318
+ ATOM 317 CA GLU A 40 5.320 5.137 -5.401 1.00 0.00 C
319
+ ATOM 318 C GLU A 40 5.603 3.896 -6.244 1.00 0.00 C
320
+ ATOM 319 CB GLU A 40 6.416 6.183 -5.624 1.00 0.00 C
321
+ ATOM 320 O GLU A 40 6.402 3.043 -5.853 1.00 0.00 O
322
+ ATOM 321 CG GLU A 40 6.507 6.683 -7.058 1.00 0.00 C
323
+ ATOM 322 CD GLU A 40 7.646 7.665 -7.281 1.00 0.00 C
324
+ ATOM 323 OE1 GLU A 40 7.831 8.579 -6.445 1.00 0.00 O
325
+ ATOM 324 OE2 GLU A 40 8.359 7.520 -8.299 1.00 0.00 O
326
+ ATOM 325 N LEU A 41 4.936 3.843 -7.402 1.00 0.00 N
327
+ ATOM 326 CA LEU A 41 5.125 2.832 -8.434 1.00 0.00 C
328
+ ATOM 327 C LEU A 41 5.001 3.445 -9.826 1.00 0.00 C
329
+ ATOM 328 CB LEU A 41 4.107 1.700 -8.271 1.00 0.00 C
330
+ ATOM 329 O LEU A 41 3.992 4.079 -10.142 1.00 0.00 O
331
+ ATOM 330 CG LEU A 41 4.222 0.536 -9.256 1.00 0.00 C
332
+ ATOM 331 CD1 LEU A 41 5.547 -0.193 -9.062 1.00 0.00 C
333
+ ATOM 332 CD2 LEU A 41 3.047 -0.422 -9.090 1.00 0.00 C
334
+ ATOM 333 N ASN A 42 6.068 3.228 -10.674 1.00 0.00 N
335
+ ATOM 334 CA ASN A 42 6.065 3.666 -12.066 1.00 0.00 C
336
+ ATOM 335 C ASN A 42 5.628 5.122 -12.194 1.00 0.00 C
337
+ ATOM 336 CB ASN A 42 5.163 2.764 -12.911 1.00 0.00 C
338
+ ATOM 337 O ASN A 42 4.818 5.458 -13.060 1.00 0.00 O
339
+ ATOM 338 CG ASN A 42 5.692 1.347 -13.021 1.00 0.00 C
340
+ ATOM 339 ND2 ASN A 42 4.786 0.384 -13.143 1.00 0.00 N
341
+ ATOM 340 OD1 ASN A 42 6.904 1.121 -12.995 1.00 0.00 O
342
+ ATOM 341 N GLY A 43 6.047 5.924 -11.309 1.00 0.00 N
343
+ ATOM 342 CA GLY A 43 5.823 7.355 -11.424 1.00 0.00 C
344
+ ATOM 343 C GLY A 43 4.530 7.812 -10.776 1.00 0.00 C
345
+ ATOM 344 O GLY A 43 4.211 9.003 -10.786 1.00 0.00 O
346
+ ATOM 345 N LYS A 44 3.692 6.946 -10.259 1.00 0.00 N
347
+ ATOM 346 CA LYS A 44 2.471 7.281 -9.531 1.00 0.00 C
348
+ ATOM 347 C LYS A 44 2.627 7.002 -8.039 1.00 0.00 C
349
+ ATOM 348 CB LYS A 44 1.282 6.498 -10.089 1.00 0.00 C
350
+ ATOM 349 O LYS A 44 3.265 6.023 -7.648 1.00 0.00 O
351
+ ATOM 350 CG LYS A 44 0.935 6.843 -11.530 1.00 0.00 C
352
+ ATOM 351 CD LYS A 44 -0.308 6.098 -11.999 1.00 0.00 C
353
+ ATOM 352 CE LYS A 44 -0.642 6.423 -13.449 1.00 0.00 C
354
+ ATOM 353 NZ LYS A 44 -1.871 5.711 -13.907 1.00 0.00 N
355
+ ATOM 354 N ASP A 45 2.032 7.956 -7.221 1.00 0.00 N
356
+ ATOM 355 CA ASP A 45 2.063 7.697 -5.785 1.00 0.00 C
357
+ ATOM 356 C ASP A 45 0.650 7.600 -5.213 1.00 0.00 C
358
+ ATOM 357 CB ASP A 45 2.850 8.791 -5.060 1.00 0.00 C
359
+ ATOM 358 O ASP A 45 -0.299 8.123 -5.801 1.00 0.00 O
360
+ ATOM 359 CG ASP A 45 2.202 10.159 -5.170 1.00 0.00 C
361
+ ATOM 360 OD1 ASP A 45 1.947 10.624 -6.302 1.00 0.00 O
362
+ ATOM 361 OD2 ASP A 45 1.946 10.780 -4.114 1.00 0.00 O
363
+ ATOM 362 N GLY A 46 0.490 6.998 -4.098 1.00 0.00 N
364
+ ATOM 363 CA GLY A 46 -0.767 6.823 -3.389 1.00 0.00 C
365
+ ATOM 364 C GLY A 46 -0.649 5.916 -2.178 1.00 0.00 C
366
+ ATOM 365 O GLY A 46 0.438 5.421 -1.870 1.00 0.00 O
367
+ ATOM 366 N PHE A 47 -1.681 5.774 -1.531 1.00 0.00 N
368
+ ATOM 367 CA PHE A 47 -1.717 4.961 -0.321 1.00 0.00 C
369
+ ATOM 368 C PHE A 47 -1.900 3.487 -0.664 1.00 0.00 C
370
+ ATOM 369 CB PHE A 47 -2.844 5.427 0.607 1.00 0.00 C
371
+ ATOM 370 O PHE A 47 -2.683 3.144 -1.552 1.00 0.00 O
372
+ ATOM 371 CG PHE A 47 -2.607 6.784 1.215 1.00 0.00 C
373
+ ATOM 372 CD1 PHE A 47 -1.688 6.951 2.242 1.00 0.00 C
374
+ ATOM 373 CD2 PHE A 47 -3.307 7.893 0.756 1.00 0.00 C
375
+ ATOM 374 CE1 PHE A 47 -1.468 8.205 2.806 1.00 0.00 C
376
+ ATOM 375 CE2 PHE A 47 -3.092 9.151 1.315 1.00 0.00 C
377
+ ATOM 376 CZ PHE A 47 -2.172 9.304 2.340 1.00 0.00 C
378
+ ATOM 377 N ILE A 48 -1.253 2.632 0.118 1.00 0.00 N
379
+ ATOM 378 CA ILE A 48 -1.330 1.184 -0.033 1.00 0.00 C
380
+ ATOM 379 C ILE A 48 -1.520 0.531 1.334 1.00 0.00 C
381
+ ATOM 380 CB ILE A 48 -0.068 0.619 -0.725 1.00 0.00 C
382
+ ATOM 381 O ILE A 48 -1.035 1.044 2.347 1.00 0.00 O
383
+ ATOM 382 CG1 ILE A 48 1.178 0.905 0.121 1.00 0.00 C
384
+ ATOM 383 CG2 ILE A 48 0.079 1.203 -2.134 1.00 0.00 C
385
+ ATOM 384 CD1 ILE A 48 2.419 0.150 -0.332 1.00 0.00 C
386
+ ATOM 385 N PRO A 49 -2.197 -0.579 1.369 1.00 0.00 N
387
+ ATOM 386 CA PRO A 49 -2.339 -1.256 2.659 1.00 0.00 C
388
+ ATOM 387 C PRO A 49 -1.034 -1.882 3.145 1.00 0.00 C
389
+ ATOM 388 CB PRO A 49 -3.390 -2.332 2.378 1.00 0.00 C
390
+ ATOM 389 O PRO A 49 -0.367 -2.593 2.389 1.00 0.00 O
391
+ ATOM 390 CG PRO A 49 -3.935 -1.992 1.029 1.00 0.00 C
392
+ ATOM 391 CD PRO A 49 -2.919 -1.158 0.301 1.00 0.00 C
393
+ ATOM 392 N LYS A 50 -0.630 -1.773 4.373 1.00 0.00 N
394
+ ATOM 393 CA LYS A 50 0.626 -2.262 4.938 1.00 0.00 C
395
+ ATOM 394 C LYS A 50 0.716 -3.782 4.844 1.00 0.00 C
396
+ ATOM 395 CB LYS A 50 0.766 -1.818 6.395 1.00 0.00 C
397
+ ATOM 396 O LYS A 50 1.787 -4.329 4.573 1.00 0.00 O
398
+ ATOM 397 CG LYS A 50 1.032 -0.329 6.565 1.00 0.00 C
399
+ ATOM 398 CD LYS A 50 1.496 -0.003 7.979 1.00 0.00 C
400
+ ATOM 399 CE LYS A 50 1.811 1.479 8.137 1.00 0.00 C
401
+ ATOM 400 NZ LYS A 50 2.305 1.796 9.510 1.00 0.00 N
402
+ ATOM 401 N ASN A 51 -0.524 -4.405 5.027 1.00 0.00 N
403
+ ATOM 402 CA ASN A 51 -0.509 -5.862 5.100 1.00 0.00 C
404
+ ATOM 403 C ASN A 51 -0.456 -6.491 3.711 1.00 0.00 C
405
+ ATOM 404 CB ASN A 51 -1.729 -6.373 5.868 1.00 0.00 C
406
+ ATOM 405 O ASN A 51 -0.434 -7.717 3.580 1.00 0.00 O
407
+ ATOM 406 CG ASN A 51 -1.704 -5.982 7.333 1.00 0.00 C
408
+ ATOM 407 ND2 ASN A 51 -2.881 -5.860 7.934 1.00 0.00 N
409
+ ATOM 408 OD1 ASN A 51 -0.635 -5.792 7.918 1.00 0.00 O
410
+ ATOM 409 N TYR A 52 -0.348 -5.739 2.685 1.00 0.00 N
411
+ ATOM 410 CA TYR A 52 -0.321 -6.259 1.323 1.00 0.00 C
412
+ ATOM 411 C TYR A 52 1.094 -6.230 0.757 1.00 0.00 C
413
+ ATOM 412 CB TYR A 52 -1.261 -5.455 0.420 1.00 0.00 C
414
+ ATOM 413 O TYR A 52 1.319 -6.628 -0.389 1.00 0.00 O
415
+ ATOM 414 CG TYR A 52 -2.718 -5.806 0.596 1.00 0.00 C
416
+ ATOM 415 CD1 TYR A 52 -3.124 -6.711 1.574 1.00 0.00 C
417
+ ATOM 416 CD2 TYR A 52 -3.692 -5.235 -0.216 1.00 0.00 C
418
+ ATOM 417 CE1 TYR A 52 -4.466 -7.039 1.739 1.00 0.00 C
419
+ ATOM 418 CE2 TYR A 52 -5.037 -5.555 -0.061 1.00 0.00 C
420
+ ATOM 419 OH TYR A 52 -6.743 -6.777 1.076 1.00 0.00 O
421
+ ATOM 420 CZ TYR A 52 -5.413 -6.457 0.917 1.00 0.00 C
422
+ ATOM 421 N ILE A 53 2.048 -5.804 1.497 1.00 0.00 N
423
+ ATOM 422 CA ILE A 53 3.418 -5.693 1.009 1.00 0.00 C
424
+ ATOM 423 C ILE A 53 4.379 -6.308 2.023 1.00 0.00 C
425
+ ATOM 424 CB ILE A 53 3.801 -4.221 0.733 1.00 0.00 C
426
+ ATOM 425 O ILE A 53 4.022 -6.503 3.188 1.00 0.00 O
427
+ ATOM 426 CG1 ILE A 53 3.627 -3.377 2.001 1.00 0.00 C
428
+ ATOM 427 CG2 ILE A 53 2.969 -3.654 -0.422 1.00 0.00 C
429
+ ATOM 428 CD1 ILE A 53 4.855 -3.349 2.899 1.00 0.00 C
430
+ ATOM 429 N GLU A 54 5.494 -6.667 1.613 1.00 0.00 N
431
+ ATOM 430 CA GLU A 54 6.637 -7.085 2.418 1.00 0.00 C
432
+ ATOM 431 C GLU A 54 7.814 -6.128 2.245 1.00 0.00 C
433
+ ATOM 432 CB GLU A 54 7.061 -8.510 2.052 1.00 0.00 C
434
+ ATOM 433 O GLU A 54 8.310 -5.941 1.131 1.00 0.00 O
435
+ ATOM 434 CG GLU A 54 8.188 -9.058 2.915 1.00 0.00 C
436
+ ATOM 435 CD GLU A 54 8.492 -10.523 2.645 1.00 0.00 C
437
+ ATOM 436 OE1 GLU A 54 7.854 -11.120 1.749 1.00 0.00 O
438
+ ATOM 437 OE2 GLU A 54 9.375 -11.078 3.337 1.00 0.00 O
439
+ ATOM 438 N MET A 55 8.245 -5.541 3.362 1.00 0.00 N
440
+ ATOM 439 CA MET A 55 9.393 -4.639 3.317 1.00 0.00 C
441
+ ATOM 440 C MET A 55 10.680 -5.410 3.037 1.00 0.00 C
442
+ ATOM 441 CB MET A 55 9.522 -3.865 4.630 1.00 0.00 C
443
+ ATOM 442 O MET A 55 10.860 -6.525 3.530 1.00 0.00 O
444
+ ATOM 443 CG MET A 55 8.305 -3.017 4.964 1.00 0.00 C
445
+ ATOM 444 SD MET A 55 8.010 -1.695 3.726 1.00 0.00 S
446
+ ATOM 445 CE MET A 55 9.355 -0.553 4.150 1.00 0.00 C
447
+ ATOM 446 N LYS A 56 11.534 -4.773 2.194 1.00 0.00 N
448
+ ATOM 447 CA LYS A 56 12.847 -5.357 1.939 1.00 0.00 C
449
+ ATOM 448 C LYS A 56 13.915 -4.715 2.821 1.00 0.00 C
450
+ ATOM 449 CB LYS A 56 13.225 -5.207 0.465 1.00 0.00 C
451
+ ATOM 450 O LYS A 56 13.814 -3.536 3.168 1.00 0.00 O
452
+ ATOM 451 CG LYS A 56 12.423 -6.097 -0.473 1.00 0.00 C
453
+ ATOM 452 CD LYS A 56 12.955 -6.028 -1.900 1.00 0.00 C
454
+ ATOM 453 CE LYS A 56 12.293 -7.067 -2.794 1.00 0.00 C
455
+ ATOM 454 NZ LYS A 56 12.887 -7.077 -4.165 1.00 0.00 N
456
+ ATOM 455 OXT LYS A 56 14.482 -5.784 2.805 1.00 0.00 O
457
+ TER 456 LYS A 56
458
+ END
1aze/1aze_protein_processed_fix.pdb ADDED
@@ -0,0 +1,906 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N MET A 1 11.739 3.234 3.588 1.00 0.00 N
3
+ ATOM 2 CA MET A 1 12.086 1.892 3.129 1.00 0.00 C
4
+ ATOM 3 C MET A 1 11.454 1.573 1.758 1.00 0.00 C
5
+ ATOM 4 O MET A 1 10.885 2.442 1.096 1.00 0.00 O
6
+ ATOM 5 CB MET A 1 11.740 0.866 4.234 1.00 0.00 C
7
+ ATOM 6 CG MET A 1 10.249 0.737 4.605 1.00 0.00 C
8
+ ATOM 7 SD MET A 1 9.179 -0.157 3.438 1.00 0.00 S
9
+ ATOM 8 CE MET A 1 7.781 -0.560 4.517 1.00 0.00 C
10
+ ATOM 9 H MET A 1 11.492 3.201 4.443 1.00 0.00 H
11
+ ATOM 10 H2 MET A 1 12.445 3.769 3.504 1.00 0.00 H
12
+ ATOM 11 H3 MET A 1 11.067 3.551 3.098 1.00 0.00 H
13
+ ATOM 12 HA MET A 1 13.042 1.838 2.975 1.00 0.00 H
14
+ ATOM 13 HB2 MET A 1 12.060 -0.005 3.951 1.00 0.00 H
15
+ ATOM 14 HB3 MET A 1 12.233 1.103 5.035 1.00 0.00 H
16
+ ATOM 15 HG2 MET A 1 10.190 0.295 5.466 1.00 0.00 H
17
+ ATOM 16 HG3 MET A 1 9.889 1.630 4.720 1.00 0.00 H
18
+ ATOM 17 HE1 MET A 1 7.114 -1.052 4.013 1.00 0.00 H
19
+ ATOM 18 HE2 MET A 1 8.090 -1.103 5.259 1.00 0.00 H
20
+ ATOM 19 HE3 MET A 1 7.389 0.259 4.858 1.00 0.00 H
21
+ ATOM 20 N GLU A 2 11.567 0.310 1.322 1.00 0.00 N
22
+ ATOM 21 CA GLU A 2 10.882 -0.228 0.147 1.00 0.00 C
23
+ ATOM 22 C GLU A 2 10.572 -1.721 0.331 1.00 0.00 C
24
+ ATOM 23 O GLU A 2 11.313 -2.437 1.007 1.00 0.00 O
25
+ ATOM 24 CB GLU A 2 11.674 0.071 -1.138 1.00 0.00 C
26
+ ATOM 25 CG GLU A 2 13.087 -0.531 -1.177 1.00 0.00 C
27
+ ATOM 26 CD GLU A 2 13.865 -0.028 -2.396 1.00 0.00 C
28
+ ATOM 27 OE1 GLU A 2 14.279 1.153 -2.355 1.00 0.00 O
29
+ ATOM 28 OE2 GLU A 2 14.015 -0.820 -3.351 1.00 0.00 O
30
+ ATOM 29 H GLU A 2 12.061 -0.272 1.718 1.00 0.00 H
31
+ ATOM 30 HA GLU A 2 10.027 0.220 0.051 1.00 0.00 H
32
+ ATOM 31 HB2 GLU A 2 11.172 -0.264 -1.898 1.00 0.00 H
33
+ ATOM 32 HB3 GLU A 2 11.742 1.033 -1.245 1.00 0.00 H
34
+ ATOM 33 HG2 GLU A 2 13.564 -0.297 -0.366 1.00 0.00 H
35
+ ATOM 34 HG3 GLU A 2 13.029 -1.499 -1.203 1.00 0.00 H
36
+ ATOM 35 N ALA A 3 9.445 -2.171 -0.241 1.00 0.00 N
37
+ ATOM 36 CA ALA A 3 8.866 -3.493 -0.010 1.00 0.00 C
38
+ ATOM 37 C ALA A 3 8.196 -4.053 -1.277 1.00 0.00 C
39
+ ATOM 38 O ALA A 3 7.710 -3.301 -2.123 1.00 0.00 O
40
+ ATOM 39 CB ALA A 3 7.873 -3.390 1.155 1.00 0.00 C
41
+ ATOM 40 H ALA A 3 8.986 -1.695 -0.791 1.00 0.00 H
42
+ ATOM 41 HA ALA A 3 9.572 -4.118 0.218 1.00 0.00 H
43
+ ATOM 42 HB1 ALA A 3 7.479 -4.260 1.322 1.00 0.00 H
44
+ ATOM 43 HB2 ALA A 3 8.338 -3.088 1.951 1.00 0.00 H
45
+ ATOM 44 HB3 ALA A 3 7.174 -2.757 0.929 1.00 0.00 H
46
+ ATOM 45 N ILE A 4 8.181 -5.389 -1.399 1.00 0.00 N
47
+ ATOM 46 CA ILE A 4 7.683 -6.125 -2.561 1.00 0.00 C
48
+ ATOM 47 C ILE A 4 6.181 -6.390 -2.385 1.00 0.00 C
49
+ ATOM 48 O ILE A 4 5.769 -6.970 -1.382 1.00 0.00 O
50
+ ATOM 49 CB ILE A 4 8.467 -7.451 -2.741 1.00 0.00 C
51
+ ATOM 50 CG1 ILE A 4 9.957 -7.244 -3.104 1.00 0.00 C
52
+ ATOM 51 CG2 ILE A 4 7.839 -8.300 -3.867 1.00 0.00 C
53
+ ATOM 52 CD1 ILE A 4 10.827 -6.617 -2.005 1.00 0.00 C
54
+ ATOM 53 H ILE A 4 8.474 -5.908 -0.779 1.00 0.00 H
55
+ ATOM 54 HA ILE A 4 7.817 -5.595 -3.362 1.00 0.00 H
56
+ ATOM 55 HB ILE A 4 8.416 -7.896 -1.881 1.00 0.00 H
57
+ ATOM 56 HG12 ILE A 4 10.337 -8.104 -3.344 1.00 0.00 H
58
+ ATOM 57 HG13 ILE A 4 10.006 -6.682 -3.893 1.00 0.00 H
59
+ ATOM 58 HG21 ILE A 4 8.339 -9.125 -3.968 1.00 0.00 H
60
+ ATOM 59 HG22 ILE A 4 6.918 -8.506 -3.642 1.00 0.00 H
61
+ ATOM 60 HG23 ILE A 4 7.864 -7.803 -4.700 1.00 0.00 H
62
+ ATOM 61 HD11 ILE A 4 11.738 -6.528 -2.325 1.00 0.00 H
63
+ ATOM 62 HD12 ILE A 4 10.478 -5.741 -1.776 1.00 0.00 H
64
+ ATOM 63 HD13 ILE A 4 10.815 -7.185 -1.219 1.00 0.00 H
65
+ ATOM 64 N ALA A 5 5.367 -6.011 -3.379 1.00 0.00 N
66
+ ATOM 65 CA ALA A 5 3.938 -6.304 -3.440 1.00 0.00 C
67
+ ATOM 66 C ALA A 5 3.689 -7.820 -3.408 1.00 0.00 C
68
+ ATOM 67 O ALA A 5 4.115 -8.543 -4.308 1.00 0.00 O
69
+ ATOM 68 CB ALA A 5 3.343 -5.660 -4.695 1.00 0.00 C
70
+ ATOM 69 H ALA A 5 5.646 -5.561 -4.057 1.00 0.00 H
71
+ ATOM 70 HA ALA A 5 3.498 -5.928 -2.661 1.00 0.00 H
72
+ ATOM 71 HB1 ALA A 5 2.393 -5.853 -4.739 1.00 0.00 H
73
+ ATOM 72 HB2 ALA A 5 3.476 -4.700 -4.660 1.00 0.00 H
74
+ ATOM 73 HB3 ALA A 5 3.782 -6.019 -5.482 1.00 0.00 H
75
+ ATOM 74 N LYS A 6 3.004 -8.289 -2.358 1.00 0.00 N
76
+ ATOM 75 CA LYS A 6 2.694 -9.695 -2.100 1.00 0.00 C
77
+ ATOM 76 C LYS A 6 1.353 -10.080 -2.751 1.00 0.00 C
78
+ ATOM 77 O LYS A 6 1.244 -11.143 -3.361 1.00 0.00 O
79
+ ATOM 78 CB LYS A 6 2.722 -9.912 -0.576 1.00 0.00 C
80
+ ATOM 79 CG LYS A 6 2.319 -11.328 -0.141 1.00 0.00 C
81
+ ATOM 80 CD LYS A 6 2.747 -11.634 1.307 1.00 0.00 C
82
+ ATOM 81 CE LYS A 6 2.392 -10.543 2.334 1.00 0.00 C
83
+ ATOM 82 NZ LYS A 6 0.944 -10.267 2.377 1.00 0.00 N
84
+ ATOM 83 H LYS A 6 2.694 -7.767 -1.749 1.00 0.00 H
85
+ ATOM 84 HA LYS A 6 3.354 -10.282 -2.502 1.00 0.00 H
86
+ ATOM 85 HB2 LYS A 6 3.615 -9.725 -0.248 1.00 0.00 H
87
+ ATOM 86 HB3 LYS A 6 2.126 -9.272 -0.156 1.00 0.00 H
88
+ ATOM 87 HG2 LYS A 6 1.357 -11.428 -0.221 1.00 0.00 H
89
+ ATOM 88 HG3 LYS A 6 2.722 -11.976 -0.740 1.00 0.00 H
90
+ ATOM 89 HD2 LYS A 6 2.333 -12.467 1.583 1.00 0.00 H
91
+ ATOM 90 HD3 LYS A 6 3.707 -11.775 1.324 1.00 0.00 H
92
+ ATOM 91 HE2 LYS A 6 2.693 -10.819 3.214 1.00 0.00 H
93
+ ATOM 92 HE3 LYS A 6 2.869 -9.727 2.114 1.00 0.00 H
94
+ ATOM 93 HZ1 LYS A 6 0.728 -9.936 3.174 1.00 0.00 H
95
+ ATOM 94 HZ2 LYS A 6 0.735 -9.677 1.745 1.00 0.00 H
96
+ ATOM 95 HZ3 LYS A 6 0.493 -11.022 2.238 1.00 0.00 H
97
+ ATOM 96 N VAL A 7 0.350 -9.196 -2.646 1.00 0.00 N
98
+ ATOM 97 CA VAL A 7 -0.936 -9.260 -3.344 1.00 0.00 C
99
+ ATOM 98 C VAL A 7 -1.184 -7.934 -4.090 1.00 0.00 C
100
+ ATOM 99 O VAL A 7 -0.776 -6.864 -3.634 1.00 0.00 O
101
+ ATOM 100 CB VAL A 7 -2.068 -9.620 -2.353 1.00 0.00 C
102
+ ATOM 101 CG1 VAL A 7 -2.005 -8.764 -1.084 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 7 -3.466 -9.517 -2.988 1.00 0.00 C
104
+ ATOM 103 H VAL A 7 0.409 -8.506 -2.136 1.00 0.00 H
105
+ ATOM 104 HA VAL A 7 -0.921 -9.965 -4.010 1.00 0.00 H
106
+ ATOM 105 HB VAL A 7 -1.922 -10.548 -2.110 1.00 0.00 H
107
+ ATOM 106 HG11 VAL A 7 -2.727 -9.016 -0.487 1.00 0.00 H
108
+ ATOM 107 HG12 VAL A 7 -1.154 -8.906 -0.640 1.00 0.00 H
109
+ ATOM 108 HG13 VAL A 7 -2.094 -7.827 -1.320 1.00 0.00 H
110
+ ATOM 109 HG21 VAL A 7 -4.139 -9.751 -2.330 1.00 0.00 H
111
+ ATOM 110 HG22 VAL A 7 -3.616 -8.609 -3.294 1.00 0.00 H
112
+ ATOM 111 HG23 VAL A 7 -3.525 -10.126 -3.741 1.00 0.00 H
113
+ ATOM 112 N ASP A 8 -1.856 -8.017 -5.247 1.00 0.00 N
114
+ ATOM 113 CA ASP A 8 -2.221 -6.885 -6.093 1.00 0.00 C
115
+ ATOM 114 C ASP A 8 -3.353 -6.057 -5.455 1.00 0.00 C
116
+ ATOM 115 O ASP A 8 -4.388 -6.610 -5.083 1.00 0.00 O
117
+ ATOM 116 CB ASP A 8 -2.601 -7.400 -7.498 1.00 0.00 C
118
+ ATOM 117 CG ASP A 8 -3.749 -8.414 -7.499 1.00 0.00 C
119
+ ATOM 118 OD1 ASP A 8 -3.493 -9.557 -7.055 1.00 0.00 O
120
+ ATOM 119 OD2 ASP A 8 -4.853 -8.035 -7.948 1.00 0.00 O
121
+ ATOM 120 H ASP A 8 -2.120 -8.770 -5.569 1.00 0.00 H
122
+ ATOM 121 HA ASP A 8 -1.460 -6.290 -6.180 1.00 0.00 H
123
+ ATOM 122 HB2 ASP A 8 -2.848 -6.644 -8.054 1.00 0.00 H
124
+ ATOM 123 HB3 ASP A 8 -1.821 -7.808 -7.905 1.00 0.00 H
125
+ ATOM 124 N PHE A 9 -3.162 -4.732 -5.342 1.00 0.00 N
126
+ ATOM 125 CA PHE A 9 -4.183 -3.783 -4.901 1.00 0.00 C
127
+ ATOM 126 C PHE A 9 -4.834 -3.136 -6.133 1.00 0.00 C
128
+ ATOM 127 O PHE A 9 -4.193 -2.359 -6.842 1.00 0.00 O
129
+ ATOM 128 CB PHE A 9 -3.580 -2.732 -3.953 1.00 0.00 C
130
+ ATOM 129 CG PHE A 9 -4.629 -1.890 -3.237 1.00 0.00 C
131
+ ATOM 130 CD1 PHE A 9 -5.144 -0.722 -3.842 1.00 0.00 C
132
+ ATOM 131 CD2 PHE A 9 -5.185 -2.340 -2.018 1.00 0.00 C
133
+ ATOM 132 CE1 PHE A 9 -6.163 0.019 -3.207 1.00 0.00 C
134
+ ATOM 133 CE2 PHE A 9 -6.219 -1.611 -1.393 1.00 0.00 C
135
+ ATOM 134 CZ PHE A 9 -6.707 -0.429 -1.987 1.00 0.00 C
136
+ ATOM 135 H PHE A 9 -2.411 -4.356 -5.527 1.00 0.00 H
137
+ ATOM 136 HA PHE A 9 -4.869 -4.251 -4.400 1.00 0.00 H
138
+ ATOM 137 HB2 PHE A 9 -3.029 -3.180 -3.293 1.00 0.00 H
139
+ ATOM 138 HB3 PHE A 9 -2.996 -2.146 -4.460 1.00 0.00 H
140
+ ATOM 139 HD1 PHE A 9 -4.810 -0.440 -4.663 1.00 0.00 H
141
+ ATOM 140 HD2 PHE A 9 -4.868 -3.121 -1.626 1.00 0.00 H
142
+ ATOM 141 HE1 PHE A 9 -6.476 0.804 -3.594 1.00 0.00 H
143
+ ATOM 142 HE2 PHE A 9 -6.579 -1.910 -0.589 1.00 0.00 H
144
+ ATOM 143 HZ PHE A 9 -7.386 0.054 -1.574 1.00 0.00 H
145
+ ATOM 144 N LYS A 10 -6.111 -3.459 -6.379 1.00 0.00 N
146
+ ATOM 145 CA LYS A 10 -6.914 -2.952 -7.488 1.00 0.00 C
147
+ ATOM 146 C LYS A 10 -7.815 -1.818 -6.976 1.00 0.00 C
148
+ ATOM 147 O LYS A 10 -8.942 -2.062 -6.545 1.00 0.00 O
149
+ ATOM 148 CB LYS A 10 -7.700 -4.129 -8.096 1.00 0.00 C
150
+ ATOM 149 CG LYS A 10 -8.479 -3.730 -9.358 1.00 0.00 C
151
+ ATOM 150 CD LYS A 10 -9.162 -4.965 -9.964 1.00 0.00 C
152
+ ATOM 151 CE LYS A 10 -9.931 -4.601 -11.240 1.00 0.00 C
153
+ ATOM 152 NZ LYS A 10 -10.568 -5.790 -11.836 1.00 0.00 N
154
+ ATOM 153 H LYS A 10 -6.547 -4.005 -5.878 1.00 0.00 H
155
+ ATOM 154 HA LYS A 10 -6.363 -2.576 -8.192 1.00 0.00 H
156
+ ATOM 155 HB2 LYS A 10 -7.085 -4.847 -8.313 1.00 0.00 H
157
+ ATOM 156 HB3 LYS A 10 -8.319 -4.476 -7.435 1.00 0.00 H
158
+ ATOM 157 HG2 LYS A 10 -9.144 -3.058 -9.139 1.00 0.00 H
159
+ ATOM 158 HG3 LYS A 10 -7.877 -3.332 -10.007 1.00 0.00 H
160
+ ATOM 159 HD2 LYS A 10 -8.496 -5.640 -10.166 1.00 0.00 H
161
+ ATOM 160 HD3 LYS A 10 -9.771 -5.352 -9.316 1.00 0.00 H
162
+ ATOM 161 HE2 LYS A 10 -10.608 -3.937 -11.035 1.00 0.00 H
163
+ ATOM 162 HE3 LYS A 10 -9.325 -4.199 -11.882 1.00 0.00 H
164
+ ATOM 163 HZ1 LYS A 10 -10.620 -5.688 -12.719 1.00 0.00 H
165
+ ATOM 164 HZ2 LYS A 10 -10.082 -6.512 -11.649 1.00 0.00 H
166
+ ATOM 165 HZ3 LYS A 10 -11.386 -5.888 -11.500 1.00 0.00 H
167
+ ATOM 166 N ALA A 11 -7.309 -0.575 -7.005 1.00 0.00 N
168
+ ATOM 167 CA ALA A 11 -8.001 0.598 -6.468 1.00 0.00 C
169
+ ATOM 168 C ALA A 11 -9.218 1.000 -7.317 1.00 0.00 C
170
+ ATOM 169 O ALA A 11 -9.150 0.995 -8.546 1.00 0.00 O
171
+ ATOM 170 CB ALA A 11 -7.032 1.783 -6.363 1.00 0.00 C
172
+ ATOM 171 H ALA A 11 -6.540 -0.392 -7.344 1.00 0.00 H
173
+ ATOM 172 HA ALA A 11 -8.325 0.357 -5.586 1.00 0.00 H
174
+ ATOM 173 HB1 ALA A 11 -7.501 2.554 -6.006 1.00 0.00 H
175
+ ATOM 174 HB2 ALA A 11 -6.298 1.550 -5.773 1.00 0.00 H
176
+ ATOM 175 HB3 ALA A 11 -6.684 1.995 -7.243 1.00 0.00 H
177
+ ATOM 176 N THR A 12 -10.309 1.395 -6.646 1.00 0.00 N
178
+ ATOM 177 CA THR A 12 -11.490 2.011 -7.254 1.00 0.00 C
179
+ ATOM 178 C THR A 12 -11.289 3.534 -7.328 1.00 0.00 C
180
+ ATOM 179 O THR A 12 -11.383 4.123 -8.403 1.00 0.00 O
181
+ ATOM 180 CB THR A 12 -12.757 1.635 -6.456 1.00 0.00 C
182
+ ATOM 181 OG1 THR A 12 -12.906 0.228 -6.424 1.00 0.00 O
183
+ ATOM 182 CG2 THR A 12 -14.027 2.240 -7.073 1.00 0.00 C
184
+ ATOM 183 H THR A 12 -10.380 1.307 -5.794 1.00 0.00 H
185
+ ATOM 184 HA THR A 12 -11.609 1.678 -8.157 1.00 0.00 H
186
+ ATOM 185 HB THR A 12 -12.646 1.991 -5.561 1.00 0.00 H
187
+ ATOM 186 HG1 THR A 12 -13.596 0.029 -5.988 1.00 0.00 H
188
+ ATOM 187 HG21 THR A 12 -14.798 1.982 -6.545 1.00 0.00 H
189
+ ATOM 188 HG22 THR A 12 -13.953 3.207 -7.084 1.00 0.00 H
190
+ ATOM 189 HG23 THR A 12 -14.133 1.914 -7.980 1.00 0.00 H
191
+ ATOM 190 N ALA A 13 -11.014 4.163 -6.174 1.00 0.00 N
192
+ ATOM 191 CA ALA A 13 -10.782 5.598 -6.024 1.00 0.00 C
193
+ ATOM 192 C ALA A 13 -9.338 5.970 -6.408 1.00 0.00 C
194
+ ATOM 193 O ALA A 13 -8.392 5.314 -5.967 1.00 0.00 O
195
+ ATOM 194 CB ALA A 13 -11.086 5.992 -4.573 1.00 0.00 C
196
+ ATOM 195 H ALA A 13 -10.957 3.740 -5.428 1.00 0.00 H
197
+ ATOM 196 HA ALA A 13 -11.368 6.086 -6.623 1.00 0.00 H
198
+ ATOM 197 HB1 ALA A 13 -10.936 6.943 -4.458 1.00 0.00 H
199
+ ATOM 198 HB2 ALA A 13 -12.011 5.783 -4.368 1.00 0.00 H
200
+ ATOM 199 HB3 ALA A 13 -10.503 5.499 -3.975 1.00 0.00 H
201
+ ATOM 200 N ASP A 14 -9.171 7.026 -7.223 1.00 0.00 N
202
+ ATOM 201 CA ASP A 14 -7.876 7.516 -7.701 1.00 0.00 C
203
+ ATOM 202 C ASP A 14 -7.192 8.387 -6.625 1.00 0.00 C
204
+ ATOM 203 O ASP A 14 -7.024 9.596 -6.781 1.00 0.00 O
205
+ ATOM 204 CB ASP A 14 -8.072 8.230 -9.054 1.00 0.00 C
206
+ ATOM 205 CG ASP A 14 -6.749 8.610 -9.726 1.00 0.00 C
207
+ ATOM 206 OD1 ASP A 14 -5.890 7.709 -9.851 1.00 0.00 O
208
+ ATOM 207 OD2 ASP A 14 -6.621 9.791 -10.116 1.00 0.00 O
209
+ ATOM 208 H ASP A 14 -9.833 7.488 -7.519 1.00 0.00 H
210
+ ATOM 209 HA ASP A 14 -7.269 6.776 -7.857 1.00 0.00 H
211
+ ATOM 210 HB2 ASP A 14 -8.577 7.653 -9.648 1.00 0.00 H
212
+ ATOM 211 HB3 ASP A 14 -8.602 9.031 -8.918 1.00 0.00 H
213
+ ATOM 212 N ASP A 15 -6.797 7.729 -5.529 1.00 0.00 N
214
+ ATOM 213 CA ASP A 15 -6.104 8.272 -4.360 1.00 0.00 C
215
+ ATOM 214 C ASP A 15 -5.393 7.128 -3.611 1.00 0.00 C
216
+ ATOM 215 O ASP A 15 -4.224 7.254 -3.247 1.00 0.00 O
217
+ ATOM 216 CB ASP A 15 -7.056 9.110 -3.475 1.00 0.00 C
218
+ ATOM 217 CG ASP A 15 -8.335 8.420 -2.990 1.00 0.00 C
219
+ ATOM 218 OD1 ASP A 15 -8.567 7.251 -3.363 1.00 0.00 O
220
+ ATOM 219 OD2 ASP A 15 -9.080 9.087 -2.237 1.00 0.00 O
221
+ ATOM 220 H ASP A 15 -6.941 6.885 -5.446 1.00 0.00 H
222
+ ATOM 221 HA ASP A 15 -5.418 8.896 -4.643 1.00 0.00 H
223
+ ATOM 222 HB2 ASP A 15 -6.560 9.409 -2.697 1.00 0.00 H
224
+ ATOM 223 HB3 ASP A 15 -7.310 9.903 -3.972 1.00 0.00 H
225
+ ATOM 224 N GLU A 16 -6.086 5.994 -3.425 1.00 0.00 N
226
+ ATOM 225 CA GLU A 16 -5.520 4.740 -2.943 1.00 0.00 C
227
+ ATOM 226 C GLU A 16 -4.648 4.152 -4.067 1.00 0.00 C
228
+ ATOM 227 O GLU A 16 -5.143 3.906 -5.167 1.00 0.00 O
229
+ ATOM 228 CB GLU A 16 -6.647 3.767 -2.541 1.00 0.00 C
230
+ ATOM 229 CG GLU A 16 -7.651 4.334 -1.522 1.00 0.00 C
231
+ ATOM 230 CD GLU A 16 -6.981 4.942 -0.291 1.00 0.00 C
232
+ ATOM 231 OE1 GLU A 16 -6.614 4.159 0.609 1.00 0.00 O
233
+ ATOM 232 OE2 GLU A 16 -6.874 6.187 -0.252 1.00 0.00 O
234
+ ATOM 233 H GLU A 16 -6.929 5.940 -3.584 1.00 0.00 H
235
+ ATOM 234 HA GLU A 16 -4.976 4.890 -2.154 1.00 0.00 H
236
+ ATOM 235 HB2 GLU A 16 -7.130 3.502 -3.340 1.00 0.00 H
237
+ ATOM 236 HB3 GLU A 16 -6.248 2.964 -2.171 1.00 0.00 H
238
+ ATOM 237 HG2 GLU A 16 -8.194 5.011 -1.955 1.00 0.00 H
239
+ ATOM 238 HG3 GLU A 16 -8.251 3.626 -1.240 1.00 0.00 H
240
+ ATOM 239 N LEU A 17 -3.344 3.965 -3.816 1.00 0.00 N
241
+ ATOM 240 CA LEU A 17 -2.370 3.543 -4.822 1.00 0.00 C
242
+ ATOM 241 C LEU A 17 -2.683 2.131 -5.333 1.00 0.00 C
243
+ ATOM 242 O LEU A 17 -2.725 1.187 -4.544 1.00 0.00 O
244
+ ATOM 243 CB LEU A 17 -0.952 3.606 -4.228 1.00 0.00 C
245
+ ATOM 244 CG LEU A 17 0.184 3.287 -5.220 1.00 0.00 C
246
+ ATOM 245 CD1 LEU A 17 0.205 4.265 -6.399 1.00 0.00 C
247
+ ATOM 246 CD2 LEU A 17 1.532 3.370 -4.493 1.00 0.00 C
248
+ ATOM 247 H LEU A 17 -2.999 4.084 -3.037 1.00 0.00 H
249
+ ATOM 248 HA LEU A 17 -2.423 4.147 -5.579 1.00 0.00 H
250
+ ATOM 249 HB2 LEU A 17 -0.807 4.494 -3.865 1.00 0.00 H
251
+ ATOM 250 HB3 LEU A 17 -0.899 2.984 -3.485 1.00 0.00 H
252
+ ATOM 251 HG LEU A 17 0.029 2.394 -5.565 1.00 0.00 H
253
+ ATOM 252 HD11 LEU A 17 0.931 4.033 -6.999 1.00 0.00 H
254
+ ATOM 253 HD12 LEU A 17 -0.638 4.215 -6.877 1.00 0.00 H
255
+ ATOM 254 HD13 LEU A 17 0.335 5.168 -6.069 1.00 0.00 H
256
+ ATOM 255 HD21 LEU A 17 2.248 3.170 -5.115 1.00 0.00 H
257
+ ATOM 256 HD22 LEU A 17 1.654 4.264 -4.138 1.00 0.00 H
258
+ ATOM 257 HD23 LEU A 17 1.548 2.729 -3.765 1.00 0.00 H
259
+ ATOM 258 N SER A 18 -2.870 1.990 -6.653 1.00 0.00 N
260
+ ATOM 259 CA SER A 18 -3.058 0.704 -7.325 1.00 0.00 C
261
+ ATOM 260 C SER A 18 -1.706 0.137 -7.771 1.00 0.00 C
262
+ ATOM 261 O SER A 18 -0.894 0.863 -8.346 1.00 0.00 O
263
+ ATOM 262 CB SER A 18 -4.015 0.845 -8.516 1.00 0.00 C
264
+ ATOM 263 OG SER A 18 -4.280 -0.425 -9.081 1.00 0.00 O
265
+ ATOM 264 H SER A 18 -2.891 2.660 -7.192 1.00 0.00 H
266
+ ATOM 265 HA SER A 18 -3.458 0.083 -6.696 1.00 0.00 H
267
+ ATOM 266 HB2 SER A 18 -4.844 1.257 -8.227 1.00 0.00 H
268
+ ATOM 267 HB3 SER A 18 -3.626 1.430 -9.185 1.00 0.00 H
269
+ ATOM 268 HG SER A 18 -4.372 -0.991 -8.467 1.00 0.00 H
270
+ ATOM 269 N PHE A 19 -1.476 -1.156 -7.510 1.00 0.00 N
271
+ ATOM 270 CA PHE A 19 -0.224 -1.854 -7.803 1.00 0.00 C
272
+ ATOM 271 C PHE A 19 -0.451 -3.365 -7.944 1.00 0.00 C
273
+ ATOM 272 O PHE A 19 -1.436 -3.903 -7.439 1.00 0.00 O
274
+ ATOM 273 CB PHE A 19 0.826 -1.537 -6.724 1.00 0.00 C
275
+ ATOM 274 CG PHE A 19 0.425 -1.878 -5.293 1.00 0.00 C
276
+ ATOM 275 CD1 PHE A 19 -0.218 -0.909 -4.490 1.00 0.00 C
277
+ ATOM 276 CD2 PHE A 19 0.737 -3.142 -4.742 1.00 0.00 C
278
+ ATOM 277 CE1 PHE A 19 -0.528 -1.191 -3.143 1.00 0.00 C
279
+ ATOM 278 CE2 PHE A 19 0.484 -3.402 -3.377 1.00 0.00 C
280
+ ATOM 279 CZ PHE A 19 -0.140 -2.422 -2.576 1.00 0.00 C
281
+ ATOM 280 H PHE A 19 -2.066 -1.664 -7.146 1.00 0.00 H
282
+ ATOM 281 HA PHE A 19 0.114 -1.537 -8.655 1.00 0.00 H
283
+ ATOM 282 HB2 PHE A 19 1.641 -2.018 -6.938 1.00 0.00 H
284
+ ATOM 283 HB3 PHE A 19 1.035 -0.591 -6.767 1.00 0.00 H
285
+ ATOM 284 HD1 PHE A 19 -0.438 -0.081 -4.852 1.00 0.00 H
286
+ ATOM 285 HD2 PHE A 19 1.109 -3.803 -5.279 1.00 0.00 H
287
+ ATOM 286 HE1 PHE A 19 -0.987 -0.566 -2.630 1.00 0.00 H
288
+ ATOM 287 HE2 PHE A 19 0.729 -4.219 -3.006 1.00 0.00 H
289
+ ATOM 288 HZ PHE A 19 -0.295 -2.588 -1.674 1.00 0.00 H
290
+ ATOM 289 N LYS A 20 0.476 -4.042 -8.637 1.00 0.00 N
291
+ ATOM 290 CA LYS A 20 0.446 -5.477 -8.910 1.00 0.00 C
292
+ ATOM 291 C LYS A 20 1.486 -6.223 -8.062 1.00 0.00 C
293
+ ATOM 292 O LYS A 20 2.543 -5.687 -7.732 1.00 0.00 O
294
+ ATOM 293 CB LYS A 20 0.686 -5.731 -10.408 1.00 0.00 C
295
+ ATOM 294 CG LYS A 20 -0.444 -5.150 -11.272 1.00 0.00 C
296
+ ATOM 295 CD LYS A 20 -0.248 -5.533 -12.746 1.00 0.00 C
297
+ ATOM 296 CE LYS A 20 -1.395 -4.986 -13.606 1.00 0.00 C
298
+ ATOM 297 NZ LYS A 20 -1.245 -5.381 -15.018 1.00 0.00 N
299
+ ATOM 298 H LYS A 20 1.167 -3.655 -8.973 1.00 0.00 H
300
+ ATOM 299 HA LYS A 20 -0.430 -5.817 -8.669 1.00 0.00 H
301
+ ATOM 300 HB2 LYS A 20 1.531 -5.335 -10.672 1.00 0.00 H
302
+ ATOM 301 HB3 LYS A 20 0.757 -6.685 -10.567 1.00 0.00 H
303
+ ATOM 302 HG2 LYS A 20 -1.300 -5.480 -10.958 1.00 0.00 H
304
+ ATOM 303 HG3 LYS A 20 -0.462 -4.184 -11.183 1.00 0.00 H
305
+ ATOM 304 HD2 LYS A 20 0.598 -5.183 -13.066 1.00 0.00 H
306
+ ATOM 305 HD3 LYS A 20 -0.206 -6.498 -12.831 1.00 0.00 H
307
+ ATOM 306 HE2 LYS A 20 -2.242 -5.314 -13.265 1.00 0.00 H
308
+ ATOM 307 HE3 LYS A 20 -1.418 -4.019 -13.540 1.00 0.00 H
309
+ ATOM 308 HZ1 LYS A 20 -2.041 -5.370 -15.416 1.00 0.00 H
310
+ ATOM 309 HZ2 LYS A 20 -0.700 -4.810 -15.430 1.00 0.00 H
311
+ ATOM 310 HZ3 LYS A 20 -0.903 -6.202 -15.062 1.00 0.00 H
312
+ ATOM 311 N ARG A 21 1.184 -7.488 -7.737 1.00 0.00 N
313
+ ATOM 312 CA ARG A 21 2.062 -8.401 -7.011 1.00 0.00 C
314
+ ATOM 313 C ARG A 21 3.388 -8.606 -7.768 1.00 0.00 C
315
+ ATOM 314 O ARG A 21 3.383 -9.056 -8.913 1.00 0.00 O
316
+ ATOM 315 CB ARG A 21 1.310 -9.712 -6.726 1.00 0.00 C
317
+ ATOM 316 CG ARG A 21 0.918 -10.509 -7.987 1.00 0.00 C
318
+ ATOM 317 CD ARG A 21 -0.385 -11.292 -7.778 1.00 0.00 C
319
+ ATOM 318 NE ARG A 21 -0.309 -12.166 -6.594 1.00 0.00 N
320
+ ATOM 319 CZ ARG A 21 -1.278 -12.400 -5.691 1.00 0.00 C
321
+ ATOM 320 NH1 ARG A 21 -2.496 -11.855 -5.789 1.00 0.00 N
322
+ ATOM 321 NH2 ARG A 21 -1.018 -13.198 -4.652 1.00 0.00 N
323
+ ATOM 322 H ARG A 21 0.430 -7.846 -7.945 1.00 0.00 H
324
+ ATOM 323 HA ARG A 21 2.307 -8.017 -6.155 1.00 0.00 H
325
+ ATOM 324 HB2 ARG A 21 1.864 -10.273 -6.161 1.00 0.00 H
326
+ ATOM 325 HB3 ARG A 21 0.506 -9.508 -6.223 1.00 0.00 H
327
+ ATOM 326 HG2 ARG A 21 0.814 -9.901 -8.736 1.00 0.00 H
328
+ ATOM 327 HG3 ARG A 21 1.632 -11.124 -8.217 1.00 0.00 H
329
+ ATOM 328 HD2 ARG A 21 -1.123 -10.671 -7.676 1.00 0.00 H
330
+ ATOM 329 HD3 ARG A 21 -0.571 -11.828 -8.565 1.00 0.00 H
331
+ ATOM 330 HE ARG A 21 0.438 -12.572 -6.466 1.00 0.00 H
332
+ ATOM 331 HH11 ARG A 21 -2.682 -11.334 -6.447 1.00 0.00 H
333
+ ATOM 332 HH12 ARG A 21 -3.093 -12.026 -5.194 1.00 0.00 H
334
+ ATOM 333 HH21 ARG A 21 -0.240 -13.554 -4.567 1.00 0.00 H
335
+ ATOM 334 HH22 ARG A 21 -1.629 -13.356 -4.068 1.00 0.00 H
336
+ ATOM 335 N GLY A 22 4.511 -8.226 -7.140 1.00 0.00 N
337
+ ATOM 336 CA GLY A 22 5.838 -8.160 -7.750 1.00 0.00 C
338
+ ATOM 337 C GLY A 22 6.448 -6.750 -7.709 1.00 0.00 C
339
+ ATOM 338 O GLY A 22 7.659 -6.624 -7.528 1.00 0.00 O
340
+ ATOM 339 H GLY A 22 4.514 -7.991 -6.313 1.00 0.00 H
341
+ ATOM 340 HA2 GLY A 22 6.430 -8.777 -7.292 1.00 0.00 H
342
+ ATOM 341 HA3 GLY A 22 5.780 -8.455 -8.672 1.00 0.00 H
343
+ ATOM 342 N ASP A 23 5.633 -5.694 -7.889 1.00 0.00 N
344
+ ATOM 343 CA ASP A 23 6.052 -4.298 -7.949 1.00 0.00 C
345
+ ATOM 344 C ASP A 23 6.867 -3.877 -6.713 1.00 0.00 C
346
+ ATOM 345 O ASP A 23 6.651 -4.364 -5.604 1.00 0.00 O
347
+ ATOM 346 CB ASP A 23 4.811 -3.392 -8.099 1.00 0.00 C
348
+ ATOM 347 CG ASP A 23 4.014 -3.562 -9.397 1.00 0.00 C
349
+ ATOM 348 OD1 ASP A 23 4.468 -4.321 -10.280 1.00 0.00 O
350
+ ATOM 349 OD2 ASP A 23 2.947 -2.914 -9.482 1.00 0.00 O
351
+ ATOM 350 H ASP A 23 4.783 -5.787 -7.983 1.00 0.00 H
352
+ ATOM 351 HA ASP A 23 6.632 -4.198 -8.720 1.00 0.00 H
353
+ ATOM 352 HB2 ASP A 23 4.217 -3.559 -7.350 1.00 0.00 H
354
+ ATOM 353 HB3 ASP A 23 5.097 -2.467 -8.034 1.00 0.00 H
355
+ ATOM 354 N ILE A 24 7.800 -2.945 -6.928 1.00 0.00 N
356
+ ATOM 355 CA ILE A 24 8.649 -2.343 -5.898 1.00 0.00 C
357
+ ATOM 356 C ILE A 24 7.939 -1.090 -5.363 1.00 0.00 C
358
+ ATOM 357 O ILE A 24 8.018 -0.021 -5.968 1.00 0.00 O
359
+ ATOM 358 CB ILE A 24 10.062 -2.042 -6.457 1.00 0.00 C
360
+ ATOM 359 CG1 ILE A 24 10.717 -3.334 -6.997 1.00 0.00 C
361
+ ATOM 360 CG2 ILE A 24 10.946 -1.409 -5.362 1.00 0.00 C
362
+ ATOM 361 CD1 ILE A 24 12.094 -3.105 -7.636 1.00 0.00 C
363
+ ATOM 362 H ILE A 24 7.961 -2.634 -7.713 1.00 0.00 H
364
+ ATOM 363 HA ILE A 24 8.783 -2.959 -5.161 1.00 0.00 H
365
+ ATOM 364 HB ILE A 24 9.976 -1.412 -7.190 1.00 0.00 H
366
+ ATOM 365 HG12 ILE A 24 10.808 -3.970 -6.270 1.00 0.00 H
367
+ ATOM 366 HG13 ILE A 24 10.127 -3.737 -7.654 1.00 0.00 H
368
+ ATOM 367 HG21 ILE A 24 11.827 -1.225 -5.723 1.00 0.00 H
369
+ ATOM 368 HG22 ILE A 24 10.542 -0.581 -5.059 1.00 0.00 H
370
+ ATOM 369 HG23 ILE A 24 11.025 -2.022 -4.615 1.00 0.00 H
371
+ ATOM 370 HD11 ILE A 24 12.449 -3.950 -7.953 1.00 0.00 H
372
+ ATOM 371 HD12 ILE A 24 12.007 -2.491 -8.382 1.00 0.00 H
373
+ ATOM 372 HD13 ILE A 24 12.698 -2.728 -6.977 1.00 0.00 H
374
+ ATOM 373 N LEU A 25 7.245 -1.229 -4.225 1.00 0.00 N
375
+ ATOM 374 CA LEU A 25 6.538 -0.147 -3.543 1.00 0.00 C
376
+ ATOM 375 C LEU A 25 7.503 0.510 -2.551 1.00 0.00 C
377
+ ATOM 376 O LEU A 25 7.752 -0.022 -1.468 1.00 0.00 O
378
+ ATOM 377 CB LEU A 25 5.282 -0.688 -2.833 1.00 0.00 C
379
+ ATOM 378 CG LEU A 25 4.073 -0.965 -3.752 1.00 0.00 C
380
+ ATOM 379 CD1 LEU A 25 3.427 0.337 -4.251 1.00 0.00 C
381
+ ATOM 380 CD2 LEU A 25 4.408 -1.878 -4.934 1.00 0.00 C
382
+ ATOM 381 H LEU A 25 7.174 -1.984 -3.819 1.00 0.00 H
383
+ ATOM 382 HA LEU A 25 6.239 0.516 -4.185 1.00 0.00 H
384
+ ATOM 383 HB2 LEU A 25 5.516 -1.510 -2.375 1.00 0.00 H
385
+ ATOM 384 HB3 LEU A 25 5.013 -0.051 -2.153 1.00 0.00 H
386
+ ATOM 385 HG LEU A 25 3.432 -1.439 -3.199 1.00 0.00 H
387
+ ATOM 386 HD11 LEU A 25 2.673 0.126 -4.824 1.00 0.00 H
388
+ ATOM 387 HD12 LEU A 25 3.120 0.858 -3.492 1.00 0.00 H
389
+ ATOM 388 HD13 LEU A 25 4.079 0.851 -4.752 1.00 0.00 H
390
+ ATOM 389 HD21 LEU A 25 3.613 -2.015 -5.473 1.00 0.00 H
391
+ ATOM 390 HD22 LEU A 25 5.098 -1.465 -5.476 1.00 0.00 H
392
+ ATOM 391 HD23 LEU A 25 4.725 -2.733 -4.603 1.00 0.00 H
393
+ ATOM 392 N LYS A 26 8.041 1.672 -2.939 1.00 0.00 N
394
+ ATOM 393 CA LYS A 26 8.972 2.475 -2.155 1.00 0.00 C
395
+ ATOM 394 C LYS A 26 8.195 3.468 -1.285 1.00 0.00 C
396
+ ATOM 395 O LYS A 26 7.394 4.243 -1.800 1.00 0.00 O
397
+ ATOM 396 CB LYS A 26 9.965 3.172 -3.100 1.00 0.00 C
398
+ ATOM 397 CG LYS A 26 11.040 3.946 -2.321 1.00 0.00 C
399
+ ATOM 398 CD LYS A 26 12.250 4.255 -3.219 1.00 0.00 C
400
+ ATOM 399 CE LYS A 26 13.445 4.798 -2.422 1.00 0.00 C
401
+ ATOM 400 NZ LYS A 26 13.983 3.796 -1.480 1.00 0.00 N
402
+ ATOM 401 H LYS A 26 7.861 2.025 -3.702 1.00 0.00 H
403
+ ATOM 402 HA LYS A 26 9.485 1.910 -1.556 1.00 0.00 H
404
+ ATOM 403 HB2 LYS A 26 10.390 2.511 -3.669 1.00 0.00 H
405
+ ATOM 404 HB3 LYS A 26 9.485 3.781 -3.683 1.00 0.00 H
406
+ ATOM 405 HG2 LYS A 26 10.665 4.773 -1.980 1.00 0.00 H
407
+ ATOM 406 HG3 LYS A 26 11.326 3.426 -1.553 1.00 0.00 H
408
+ ATOM 407 HD2 LYS A 26 12.516 3.449 -3.688 1.00 0.00 H
409
+ ATOM 408 HD3 LYS A 26 11.992 4.903 -3.893 1.00 0.00 H
410
+ ATOM 409 HE2 LYS A 26 14.144 5.072 -3.036 1.00 0.00 H
411
+ ATOM 410 HE3 LYS A 26 13.173 5.589 -1.931 1.00 0.00 H
412
+ ATOM 411 HZ1 LYS A 26 13.996 4.138 -0.658 1.00 0.00 H
413
+ ATOM 412 HZ2 LYS A 26 13.467 3.071 -1.491 1.00 0.00 H
414
+ ATOM 413 HZ3 LYS A 26 14.810 3.575 -1.722 1.00 0.00 H
415
+ ATOM 414 N VAL A 27 8.433 3.463 0.032 1.00 0.00 N
416
+ ATOM 415 CA VAL A 27 7.645 4.223 1.000 1.00 0.00 C
417
+ ATOM 416 C VAL A 27 8.245 5.621 1.172 1.00 0.00 C
418
+ ATOM 417 O VAL A 27 9.456 5.784 1.318 1.00 0.00 O
419
+ ATOM 418 CB VAL A 27 7.557 3.459 2.339 1.00 0.00 C
420
+ ATOM 419 CG1 VAL A 27 6.976 4.316 3.478 1.00 0.00 C
421
+ ATOM 420 CG2 VAL A 27 6.658 2.228 2.155 1.00 0.00 C
422
+ ATOM 421 H VAL A 27 9.069 3.008 0.390 1.00 0.00 H
423
+ ATOM 422 HA VAL A 27 6.739 4.328 0.671 1.00 0.00 H
424
+ ATOM 423 HB VAL A 27 8.461 3.210 2.586 1.00 0.00 H
425
+ ATOM 424 HG11 VAL A 27 6.942 3.791 4.293 1.00 0.00 H
426
+ ATOM 425 HG12 VAL A 27 7.539 5.094 3.617 1.00 0.00 H
427
+ ATOM 426 HG13 VAL A 27 6.080 4.604 3.242 1.00 0.00 H
428
+ ATOM 427 HG21 VAL A 27 6.598 1.743 2.993 1.00 0.00 H
429
+ ATOM 428 HG22 VAL A 27 5.772 2.512 1.882 1.00 0.00 H
430
+ ATOM 429 HG23 VAL A 27 7.036 1.650 1.474 1.00 0.00 H
431
+ ATOM 430 N LEU A 28 7.358 6.624 1.148 1.00 0.00 N
432
+ ATOM 431 CA LEU A 28 7.681 8.039 1.299 1.00 0.00 C
433
+ ATOM 432 C LEU A 28 7.510 8.460 2.765 1.00 0.00 C
434
+ ATOM 433 O LEU A 28 8.442 9.006 3.356 1.00 0.00 O
435
+ ATOM 434 CB LEU A 28 6.816 8.901 0.360 1.00 0.00 C
436
+ ATOM 435 CG LEU A 28 6.928 8.549 -1.139 1.00 0.00 C
437
+ ATOM 436 CD1 LEU A 28 6.067 9.537 -1.943 1.00 0.00 C
438
+ ATOM 437 CD2 LEU A 28 8.377 8.584 -1.653 1.00 0.00 C
439
+ ATOM 438 H LEU A 28 6.516 6.486 1.038 1.00 0.00 H
440
+ ATOM 439 HA LEU A 28 8.607 8.180 1.048 1.00 0.00 H
441
+ ATOM 440 HB2 LEU A 28 5.888 8.817 0.629 1.00 0.00 H
442
+ ATOM 441 HB3 LEU A 28 7.063 9.832 0.479 1.00 0.00 H
443
+ ATOM 442 HG LEU A 28 6.613 7.639 -1.255 1.00 0.00 H
444
+ ATOM 443 HD11 LEU A 28 6.129 9.326 -2.888 1.00 0.00 H
445
+ ATOM 444 HD12 LEU A 28 5.143 9.468 -1.657 1.00 0.00 H
446
+ ATOM 445 HD13 LEU A 28 6.385 10.441 -1.792 1.00 0.00 H
447
+ ATOM 446 HD21 LEU A 28 8.392 8.356 -2.596 1.00 0.00 H
448
+ ATOM 447 HD22 LEU A 28 8.743 9.474 -1.530 1.00 0.00 H
449
+ ATOM 448 HD23 LEU A 28 8.912 7.944 -1.158 1.00 0.00 H
450
+ ATOM 449 N ASN A 29 6.323 8.218 3.346 1.00 0.00 N
451
+ ATOM 450 CA ASN A 29 6.022 8.546 4.737 1.00 0.00 C
452
+ ATOM 451 C ASN A 29 4.988 7.583 5.344 1.00 0.00 C
453
+ ATOM 452 O ASN A 29 3.781 7.773 5.180 1.00 0.00 O
454
+ ATOM 453 CB ASN A 29 5.591 10.024 4.843 1.00 0.00 C
455
+ ATOM 454 CG ASN A 29 5.124 10.441 6.236 1.00 0.00 C
456
+ ATOM 455 OD1 ASN A 29 4.089 11.085 6.383 1.00 0.00 O
457
+ ATOM 456 ND2 ASN A 29 5.851 10.059 7.278 1.00 0.00 N
458
+ ATOM 457 H ASN A 29 5.665 7.853 2.930 1.00 0.00 H
459
+ ATOM 458 HA ASN A 29 6.827 8.430 5.265 1.00 0.00 H
460
+ ATOM 459 HB2 ASN A 29 6.336 10.587 4.580 1.00 0.00 H
461
+ ATOM 460 HB3 ASN A 29 4.874 10.188 4.210 1.00 0.00 H
462
+ ATOM 461 HD21 ASN A 29 5.600 10.262 8.075 1.00 0.00 H
463
+ ATOM 462 HD22 ASN A 29 6.573 9.608 7.156 1.00 0.00 H
464
+ ATOM 463 N GLU A 30 5.474 6.577 6.083 1.00 0.00 N
465
+ ATOM 464 CA GLU A 30 4.669 5.693 6.928 1.00 0.00 C
466
+ ATOM 465 C GLU A 30 4.511 6.270 8.351 1.00 0.00 C
467
+ ATOM 466 O GLU A 30 3.591 5.875 9.068 1.00 0.00 O
468
+ ATOM 467 CB GLU A 30 5.260 4.274 6.956 1.00 0.00 C
469
+ ATOM 468 CG GLU A 30 6.706 4.180 7.470 1.00 0.00 C
470
+ ATOM 469 CD GLU A 30 7.177 2.724 7.519 1.00 0.00 C
471
+ ATOM 470 OE1 GLU A 30 6.688 1.995 8.410 1.00 0.00 O
472
+ ATOM 471 OE2 GLU A 30 8.007 2.357 6.659 1.00 0.00 O
473
+ ATOM 472 H GLU A 30 6.312 6.387 6.104 1.00 0.00 H
474
+ ATOM 473 HA GLU A 30 3.782 5.635 6.541 1.00 0.00 H
475
+ ATOM 474 HB2 GLU A 30 4.696 3.715 7.513 1.00 0.00 H
476
+ ATOM 475 HB3 GLU A 30 5.226 3.907 6.059 1.00 0.00 H
477
+ ATOM 476 HG2 GLU A 30 7.292 4.694 6.893 1.00 0.00 H
478
+ ATOM 477 HG3 GLU A 30 6.764 4.572 8.355 1.00 0.00 H
479
+ ATOM 478 N GLU A 31 5.390 7.208 8.750 1.00 0.00 N
480
+ ATOM 479 CA GLU A 31 5.408 7.903 10.035 1.00 0.00 C
481
+ ATOM 480 C GLU A 31 4.249 8.905 10.079 1.00 0.00 C
482
+ ATOM 481 O GLU A 31 4.418 10.110 9.896 1.00 0.00 O
483
+ ATOM 482 CB GLU A 31 6.782 8.555 10.285 1.00 0.00 C
484
+ ATOM 483 CG GLU A 31 7.933 7.547 10.102 1.00 0.00 C
485
+ ATOM 484 CD GLU A 31 8.418 7.357 8.656 1.00 0.00 C
486
+ ATOM 485 OE1 GLU A 31 7.861 8.014 7.746 1.00 0.00 O
487
+ ATOM 486 OE2 GLU A 31 9.349 6.542 8.483 1.00 0.00 O
488
+ ATOM 487 H GLU A 31 6.030 7.466 8.237 1.00 0.00 H
489
+ ATOM 488 HA GLU A 31 5.279 7.271 10.759 1.00 0.00 H
490
+ ATOM 489 HB2 GLU A 31 6.903 9.299 9.675 1.00 0.00 H
491
+ ATOM 490 HB3 GLU A 31 6.809 8.918 11.184 1.00 0.00 H
492
+ ATOM 491 HG2 GLU A 31 8.684 7.835 10.644 1.00 0.00 H
493
+ ATOM 492 HG3 GLU A 31 7.647 6.687 10.447 1.00 0.00 H
494
+ ATOM 493 N SER A 32 3.057 8.340 10.275 1.00 0.00 N
495
+ ATOM 494 CA SER A 32 1.750 8.979 10.164 1.00 0.00 C
496
+ ATOM 495 C SER A 32 0.695 8.036 10.753 1.00 0.00 C
497
+ ATOM 496 O SER A 32 0.006 8.387 11.711 1.00 0.00 O
498
+ ATOM 497 CB SER A 32 1.475 9.327 8.690 1.00 0.00 C
499
+ ATOM 498 OG SER A 32 0.208 9.927 8.522 1.00 0.00 O
500
+ ATOM 499 H SER A 32 2.989 7.511 10.493 1.00 0.00 H
501
+ ATOM 500 HA SER A 32 1.721 9.810 10.664 1.00 0.00 H
502
+ ATOM 501 HB2 SER A 32 2.164 9.928 8.365 1.00 0.00 H
503
+ ATOM 502 HB3 SER A 32 1.526 8.521 8.152 1.00 0.00 H
504
+ ATOM 503 HG SER A 32 0.186 10.335 7.788 1.00 0.00 H
505
+ ATOM 504 N ASP A 33 0.623 6.820 10.196 1.00 0.00 N
506
+ ATOM 505 CA ASP A 33 -0.144 5.693 10.716 1.00 0.00 C
507
+ ATOM 506 C ASP A 33 0.362 4.363 10.127 1.00 0.00 C
508
+ ATOM 507 O ASP A 33 0.817 4.306 8.983 1.00 0.00 O
509
+ ATOM 508 CB ASP A 33 -1.654 5.891 10.494 1.00 0.00 C
510
+ ATOM 509 CG ASP A 33 -2.077 5.798 9.027 1.00 0.00 C
511
+ ATOM 510 OD1 ASP A 33 -1.918 6.812 8.315 1.00 0.00 O
512
+ ATOM 511 OD2 ASP A 33 -2.605 4.725 8.659 1.00 0.00 O
513
+ ATOM 512 H ASP A 33 1.042 6.627 9.470 1.00 0.00 H
514
+ ATOM 513 HA ASP A 33 -0.006 5.652 11.675 1.00 0.00 H
515
+ ATOM 514 HB2 ASP A 33 -2.138 5.224 11.005 1.00 0.00 H
516
+ ATOM 515 HB3 ASP A 33 -1.913 6.758 10.843 1.00 0.00 H
517
+ ATOM 516 N GLN A 34 0.263 3.290 10.923 1.00 0.00 N
518
+ ATOM 517 CA GLN A 34 0.669 1.935 10.554 1.00 0.00 C
519
+ ATOM 518 C GLN A 34 -0.254 1.321 9.486 1.00 0.00 C
520
+ ATOM 519 O GLN A 34 0.231 0.631 8.592 1.00 0.00 O
521
+ ATOM 520 CB GLN A 34 0.757 1.073 11.830 1.00 0.00 C
522
+ ATOM 521 CG GLN A 34 1.018 -0.427 11.587 1.00 0.00 C
523
+ ATOM 522 CD GLN A 34 2.221 -0.725 10.686 1.00 0.00 C
524
+ ATOM 523 OE1 GLN A 34 3.227 -0.020 10.705 1.00 0.00 O
525
+ ATOM 524 NE2 GLN A 34 2.132 -1.782 9.880 1.00 0.00 N
526
+ ATOM 525 H GLN A 34 -0.055 3.338 11.721 1.00 0.00 H
527
+ ATOM 526 HA GLN A 34 1.546 1.968 10.141 1.00 0.00 H
528
+ ATOM 527 HB2 GLN A 34 1.465 1.424 12.393 1.00 0.00 H
529
+ ATOM 528 HB3 GLN A 34 -0.072 1.167 12.325 1.00 0.00 H
530
+ ATOM 529 HG2 GLN A 34 1.154 -0.863 12.443 1.00 0.00 H
531
+ ATOM 530 HG3 GLN A 34 0.226 -0.821 11.190 1.00 0.00 H
532
+ ATOM 531 HE21 GLN A 34 1.420 -2.264 9.880 1.00 0.00 H
533
+ ATOM 532 HE22 GLN A 34 2.787 -1.982 9.360 1.00 0.00 H
534
+ ATOM 533 N ASN A 35 -1.573 1.551 9.584 1.00 0.00 N
535
+ ATOM 534 CA ASN A 35 -2.599 0.970 8.714 1.00 0.00 C
536
+ ATOM 535 C ASN A 35 -2.337 1.238 7.221 1.00 0.00 C
537
+ ATOM 536 O ASN A 35 -2.251 0.295 6.432 1.00 0.00 O
538
+ ATOM 537 CB ASN A 35 -3.991 1.482 9.126 1.00 0.00 C
539
+ ATOM 538 CG ASN A 35 -4.332 1.172 10.583 1.00 0.00 C
540
+ ATOM 539 OD1 ASN A 35 -4.207 2.024 11.459 1.00 0.00 O
541
+ ATOM 540 ND2 ASN A 35 -4.768 -0.057 10.844 1.00 0.00 N
542
+ ATOM 541 H ASN A 35 -1.903 2.071 10.184 1.00 0.00 H
543
+ ATOM 542 HA ASN A 35 -2.563 0.008 8.830 1.00 0.00 H
544
+ ATOM 543 HB2 ASN A 35 -4.032 2.441 8.986 1.00 0.00 H
545
+ ATOM 544 HB3 ASN A 35 -4.661 1.082 8.550 1.00 0.00 H
546
+ ATOM 545 HD21 ASN A 35 -4.974 -0.278 11.649 1.00 0.00 H
547
+ ATOM 546 HD22 ASN A 35 -4.844 -0.630 10.208 1.00 0.00 H
548
+ ATOM 547 N TRP A 36 -2.232 2.523 6.849 1.00 0.00 N
549
+ ATOM 548 CA TRP A 36 -2.083 3.003 5.478 1.00 0.00 C
550
+ ATOM 549 C TRP A 36 -0.788 3.817 5.333 1.00 0.00 C
551
+ ATOM 550 O TRP A 36 -0.661 4.902 5.899 1.00 0.00 O
552
+ ATOM 551 CB TRP A 36 -3.312 3.838 5.092 1.00 0.00 C
553
+ ATOM 552 CG TRP A 36 -4.577 3.062 4.864 1.00 0.00 C
554
+ ATOM 553 CD1 TRP A 36 -5.560 2.856 5.769 1.00 0.00 C
555
+ ATOM 554 CD2 TRP A 36 -5.027 2.416 3.636 1.00 0.00 C
556
+ ATOM 555 NE1 TRP A 36 -6.599 2.161 5.183 1.00 0.00 N
557
+ ATOM 556 CE2 TRP A 36 -6.338 1.892 3.856 1.00 0.00 C
558
+ ATOM 557 CE3 TRP A 36 -4.470 2.238 2.347 1.00 0.00 C
559
+ ATOM 558 CZ2 TRP A 36 -7.075 1.265 2.834 1.00 0.00 C
560
+ ATOM 559 CZ3 TRP A 36 -5.205 1.627 1.309 1.00 0.00 C
561
+ ATOM 560 CH2 TRP A 36 -6.507 1.141 1.552 1.00 0.00 C
562
+ ATOM 561 H TRP A 36 -2.247 3.164 7.422 1.00 0.00 H
563
+ ATOM 562 HA TRP A 36 -2.022 2.246 4.875 1.00 0.00 H
564
+ ATOM 563 HB2 TRP A 36 -3.473 4.490 5.792 1.00 0.00 H
565
+ ATOM 564 HB3 TRP A 36 -3.106 4.334 4.284 1.00 0.00 H
566
+ ATOM 565 HD1 TRP A 36 -5.539 3.140 6.654 1.00 0.00 H
567
+ ATOM 566 HE1 TRP A 36 -7.317 1.926 5.593 1.00 0.00 H
568
+ ATOM 567 HE3 TRP A 36 -3.603 2.529 2.181 1.00 0.00 H
569
+ ATOM 568 HZ2 TRP A 36 -7.928 0.936 3.004 1.00 0.00 H
570
+ ATOM 569 HZ3 TRP A 36 -4.830 1.544 0.462 1.00 0.00 H
571
+ ATOM 570 HH2 TRP A 36 -6.989 0.739 0.866 1.00 0.00 H
572
+ ATOM 571 N TYR A 37 0.157 3.298 4.538 1.00 0.00 N
573
+ ATOM 572 CA TYR A 37 1.438 3.924 4.222 1.00 0.00 C
574
+ ATOM 573 C TYR A 37 1.314 4.805 2.977 1.00 0.00 C
575
+ ATOM 574 O TYR A 37 0.725 4.382 1.983 1.00 0.00 O
576
+ ATOM 575 CB TYR A 37 2.484 2.830 3.951 1.00 0.00 C
577
+ ATOM 576 CG TYR A 37 2.680 1.797 5.047 1.00 0.00 C
578
+ ATOM 577 CD1 TYR A 37 2.696 2.190 6.402 1.00 0.00 C
579
+ ATOM 578 CD2 TYR A 37 2.991 0.463 4.701 1.00 0.00 C
580
+ ATOM 579 CE1 TYR A 37 3.148 1.294 7.393 1.00 0.00 C
581
+ ATOM 580 CE2 TYR A 37 3.419 -0.443 5.697 1.00 0.00 C
582
+ ATOM 581 CZ TYR A 37 3.544 -0.011 7.035 1.00 0.00 C
583
+ ATOM 582 OH TYR A 37 4.060 -0.848 7.980 1.00 0.00 O
584
+ ATOM 583 H TYR A 37 0.059 2.535 4.153 1.00 0.00 H
585
+ ATOM 584 HA TYR A 37 1.708 4.473 4.975 1.00 0.00 H
586
+ ATOM 585 HB2 TYR A 37 2.234 2.366 3.137 1.00 0.00 H
587
+ ATOM 586 HB3 TYR A 37 3.337 3.260 3.782 1.00 0.00 H
588
+ ATOM 587 HD1 TYR A 37 2.408 3.041 6.642 1.00 0.00 H
589
+ ATOM 588 HD2 TYR A 37 2.914 0.181 3.818 1.00 0.00 H
590
+ ATOM 589 HE1 TYR A 37 3.185 1.564 8.282 1.00 0.00 H
591
+ ATOM 590 HE2 TYR A 37 3.618 -1.323 5.471 1.00 0.00 H
592
+ ATOM 591 HH TYR A 37 4.455 -1.486 7.603 1.00 0.00 H
593
+ ATOM 592 N LYS A 38 1.924 5.998 3.004 1.00 0.00 N
594
+ ATOM 593 CA LYS A 38 2.007 6.873 1.839 1.00 0.00 C
595
+ ATOM 594 C LYS A 38 3.288 6.523 1.070 1.00 0.00 C
596
+ ATOM 595 O LYS A 38 4.394 6.720 1.579 1.00 0.00 O
597
+ ATOM 596 CB LYS A 38 1.943 8.350 2.262 1.00 0.00 C
598
+ ATOM 597 CG LYS A 38 0.594 8.665 2.932 1.00 0.00 C
599
+ ATOM 598 CD LYS A 38 0.441 10.140 3.338 1.00 0.00 C
600
+ ATOM 599 CE LYS A 38 1.529 10.648 4.296 1.00 0.00 C
601
+ ATOM 600 NZ LYS A 38 1.694 9.783 5.479 1.00 0.00 N
602
+ ATOM 601 H LYS A 38 2.302 6.319 3.707 1.00 0.00 H
603
+ ATOM 602 HA LYS A 38 1.249 6.736 1.250 1.00 0.00 H
604
+ ATOM 603 HB2 LYS A 38 2.668 8.547 2.875 1.00 0.00 H
605
+ ATOM 604 HB3 LYS A 38 2.065 8.919 1.486 1.00 0.00 H
606
+ ATOM 605 HG2 LYS A 38 -0.124 8.428 2.324 1.00 0.00 H
607
+ ATOM 606 HG3 LYS A 38 0.494 8.108 3.720 1.00 0.00 H
608
+ ATOM 607 HD2 LYS A 38 0.449 10.687 2.537 1.00 0.00 H
609
+ ATOM 608 HD3 LYS A 38 -0.426 10.261 3.756 1.00 0.00 H
610
+ ATOM 609 HE2 LYS A 38 2.373 10.704 3.821 1.00 0.00 H
611
+ ATOM 610 HE3 LYS A 38 1.306 11.547 4.585 1.00 0.00 H
612
+ ATOM 611 HZ1 LYS A 38 2.322 10.123 6.010 1.00 0.00 H
613
+ ATOM 612 HZ2 LYS A 38 0.924 9.736 5.923 1.00 0.00 H
614
+ ATOM 613 HZ3 LYS A 38 1.936 8.967 5.219 1.00 0.00 H
615
+ ATOM 614 N ALA A 39 3.119 5.956 -0.135 1.00 0.00 N
616
+ ATOM 615 CA ALA A 39 4.182 5.351 -0.933 1.00 0.00 C
617
+ ATOM 616 C ALA A 39 4.126 5.735 -2.423 1.00 0.00 C
618
+ ATOM 617 O ALA A 39 3.219 6.430 -2.884 1.00 0.00 O
619
+ ATOM 618 CB ALA A 39 4.104 3.829 -0.745 1.00 0.00 C
620
+ ATOM 619 H ALA A 39 2.350 5.915 -0.518 1.00 0.00 H
621
+ ATOM 620 HA ALA A 39 5.034 5.693 -0.621 1.00 0.00 H
622
+ ATOM 621 HB1 ALA A 39 4.802 3.402 -1.266 1.00 0.00 H
623
+ ATOM 622 HB2 ALA A 39 4.223 3.612 0.193 1.00 0.00 H
624
+ ATOM 623 HB3 ALA A 39 3.238 3.510 -1.043 1.00 0.00 H
625
+ ATOM 624 N GLU A 40 5.145 5.257 -3.146 1.00 0.00 N
626
+ ATOM 625 CA GLU A 40 5.528 5.566 -4.515 1.00 0.00 C
627
+ ATOM 626 C GLU A 40 5.797 4.246 -5.251 1.00 0.00 C
628
+ ATOM 627 O GLU A 40 6.717 3.512 -4.887 1.00 0.00 O
629
+ ATOM 628 CB GLU A 40 6.806 6.425 -4.453 1.00 0.00 C
630
+ ATOM 629 CG GLU A 40 7.407 6.762 -5.827 1.00 0.00 C
631
+ ATOM 630 CD GLU A 40 8.707 7.559 -5.694 1.00 0.00 C
632
+ ATOM 631 OE1 GLU A 40 9.699 6.954 -5.228 1.00 0.00 O
633
+ ATOM 632 OE2 GLU A 40 8.695 8.756 -6.056 1.00 0.00 O
634
+ ATOM 633 H GLU A 40 5.683 4.681 -2.802 1.00 0.00 H
635
+ ATOM 634 HA GLU A 40 4.832 6.050 -4.986 1.00 0.00 H
636
+ ATOM 635 HB2 GLU A 40 6.605 7.252 -3.988 1.00 0.00 H
637
+ ATOM 636 HB3 GLU A 40 7.472 5.957 -3.926 1.00 0.00 H
638
+ ATOM 637 HG2 GLU A 40 7.578 5.942 -6.316 1.00 0.00 H
639
+ ATOM 638 HG3 GLU A 40 6.765 7.273 -6.345 1.00 0.00 H
640
+ ATOM 639 N LEU A 41 5.013 3.944 -6.297 1.00 0.00 N
641
+ ATOM 640 CA LEU A 41 5.238 2.812 -7.181 1.00 0.00 C
642
+ ATOM 641 C LEU A 41 6.477 3.080 -8.054 1.00 0.00 C
643
+ ATOM 642 O LEU A 41 7.541 2.516 -7.813 1.00 0.00 O
644
+ ATOM 643 CB LEU A 41 3.950 2.563 -7.997 1.00 0.00 C
645
+ ATOM 644 CG LEU A 41 3.782 1.091 -8.379 1.00 0.00 C
646
+ ATOM 645 CD1 LEU A 41 2.430 0.885 -9.074 1.00 0.00 C
647
+ ATOM 646 CD2 LEU A 41 4.916 0.557 -9.267 1.00 0.00 C
648
+ ATOM 647 H LEU A 41 4.321 4.409 -6.509 1.00 0.00 H
649
+ ATOM 648 HA LEU A 41 5.426 2.002 -6.682 1.00 0.00 H
650
+ ATOM 649 HB2 LEU A 41 3.181 2.851 -7.480 1.00 0.00 H
651
+ ATOM 650 HB3 LEU A 41 3.970 3.104 -8.802 1.00 0.00 H
652
+ ATOM 651 HG LEU A 41 3.817 0.584 -7.553 1.00 0.00 H
653
+ ATOM 652 HD11 LEU A 41 2.328 -0.049 -9.314 1.00 0.00 H
654
+ ATOM 653 HD12 LEU A 41 1.714 1.144 -8.473 1.00 0.00 H
655
+ ATOM 654 HD13 LEU A 41 2.391 1.430 -9.875 1.00 0.00 H
656
+ ATOM 655 HD21 LEU A 41 4.753 -0.377 -9.474 1.00 0.00 H
657
+ ATOM 656 HD22 LEU A 41 4.951 1.069 -10.090 1.00 0.00 H
658
+ ATOM 657 HD23 LEU A 41 5.761 0.641 -8.798 1.00 0.00 H
659
+ ATOM 658 N ASN A 42 6.315 3.966 -9.045 1.00 0.00 N
660
+ ATOM 659 CA ASN A 42 7.299 4.459 -10.001 1.00 0.00 C
661
+ ATOM 660 C ASN A 42 6.703 5.678 -10.723 1.00 0.00 C
662
+ ATOM 661 O ASN A 42 7.254 6.777 -10.672 1.00 0.00 O
663
+ ATOM 662 CB ASN A 42 7.715 3.376 -11.023 1.00 0.00 C
664
+ ATOM 663 CG ASN A 42 8.650 2.306 -10.458 1.00 0.00 C
665
+ ATOM 664 OD1 ASN A 42 9.775 2.602 -10.064 1.00 0.00 O
666
+ ATOM 665 ND2 ASN A 42 8.201 1.052 -10.429 1.00 0.00 N
667
+ ATOM 666 H ASN A 42 5.546 4.326 -9.182 1.00 0.00 H
668
+ ATOM 667 HA ASN A 42 8.103 4.708 -9.520 1.00 0.00 H
669
+ ATOM 668 HB2 ASN A 42 6.916 2.945 -11.365 1.00 0.00 H
670
+ ATOM 669 HB3 ASN A 42 8.150 3.806 -11.776 1.00 0.00 H
671
+ ATOM 670 HD21 ASN A 42 8.703 0.422 -10.128 1.00 0.00 H
672
+ ATOM 671 HD22 ASN A 42 7.409 0.872 -10.711 1.00 0.00 H
673
+ ATOM 672 N GLY A 43 5.566 5.458 -11.395 1.00 0.00 N
674
+ ATOM 673 CA GLY A 43 4.822 6.449 -12.166 1.00 0.00 C
675
+ ATOM 674 C GLY A 43 3.900 7.341 -11.318 1.00 0.00 C
676
+ ATOM 675 O GLY A 43 3.711 8.506 -11.664 1.00 0.00 O
677
+ ATOM 676 H GLY A 43 5.193 4.683 -11.411 1.00 0.00 H
678
+ ATOM 677 HA2 GLY A 43 5.451 7.012 -12.643 1.00 0.00 H
679
+ ATOM 678 HA3 GLY A 43 4.288 5.991 -12.834 1.00 0.00 H
680
+ ATOM 679 N LYS A 44 3.298 6.798 -10.245 1.00 0.00 N
681
+ ATOM 680 CA LYS A 44 2.297 7.483 -9.419 1.00 0.00 C
682
+ ATOM 681 C LYS A 44 2.397 7.098 -7.929 1.00 0.00 C
683
+ ATOM 682 O LYS A 44 3.096 6.149 -7.562 1.00 0.00 O
684
+ ATOM 683 CB LYS A 44 0.890 7.234 -10.000 1.00 0.00 C
685
+ ATOM 684 CG LYS A 44 0.395 5.801 -9.750 1.00 0.00 C
686
+ ATOM 685 CD LYS A 44 -0.897 5.496 -10.526 1.00 0.00 C
687
+ ATOM 686 CE LYS A 44 -1.548 4.180 -10.071 1.00 0.00 C
688
+ ATOM 687 NZ LYS A 44 -0.620 3.036 -10.159 1.00 0.00 N
689
+ ATOM 688 H LYS A 44 3.469 6.000 -9.974 1.00 0.00 H
690
+ ATOM 689 HA LYS A 44 2.476 8.436 -9.448 1.00 0.00 H
691
+ ATOM 690 HB2 LYS A 44 0.265 7.862 -9.606 1.00 0.00 H
692
+ ATOM 691 HB3 LYS A 44 0.902 7.407 -10.954 1.00 0.00 H
693
+ ATOM 692 HG2 LYS A 44 1.085 5.171 -10.011 1.00 0.00 H
694
+ ATOM 693 HG3 LYS A 44 0.239 5.674 -8.801 1.00 0.00 H
695
+ ATOM 694 HD2 LYS A 44 -1.525 6.225 -10.405 1.00 0.00 H
696
+ ATOM 695 HD3 LYS A 44 -0.699 5.447 -11.474 1.00 0.00 H
697
+ ATOM 696 HE2 LYS A 44 -1.857 4.274 -9.156 1.00 0.00 H
698
+ ATOM 697 HE3 LYS A 44 -2.330 4.002 -10.617 1.00 0.00 H
699
+ ATOM 698 HZ1 LYS A 44 -1.046 2.334 -10.502 1.00 0.00 H
700
+ ATOM 699 HZ2 LYS A 44 0.067 3.250 -10.683 1.00 0.00 H
701
+ ATOM 700 HZ3 LYS A 44 -0.320 2.833 -9.346 1.00 0.00 H
702
+ ATOM 701 N ASP A 45 1.674 7.851 -7.085 1.00 0.00 N
703
+ ATOM 702 CA ASP A 45 1.757 7.827 -5.623 1.00 0.00 C
704
+ ATOM 703 C ASP A 45 0.360 7.749 -4.979 1.00 0.00 C
705
+ ATOM 704 O ASP A 45 -0.616 8.254 -5.535 1.00 0.00 O
706
+ ATOM 705 CB ASP A 45 2.474 9.105 -5.149 1.00 0.00 C
707
+ ATOM 706 CG ASP A 45 3.847 9.291 -5.796 1.00 0.00 C
708
+ ATOM 707 OD1 ASP A 45 3.885 9.880 -6.899 1.00 0.00 O
709
+ ATOM 708 OD2 ASP A 45 4.831 8.838 -5.177 1.00 0.00 O
710
+ ATOM 709 H ASP A 45 1.093 8.418 -7.370 1.00 0.00 H
711
+ ATOM 710 HA ASP A 45 2.251 7.037 -5.353 1.00 0.00 H
712
+ ATOM 711 HB2 ASP A 45 1.920 9.875 -5.350 1.00 0.00 H
713
+ ATOM 712 HB3 ASP A 45 2.577 9.074 -4.185 1.00 0.00 H
714
+ ATOM 713 N GLY A 46 0.272 7.132 -3.790 1.00 0.00 N
715
+ ATOM 714 CA GLY A 46 -0.955 7.082 -2.993 1.00 0.00 C
716
+ ATOM 715 C GLY A 46 -0.837 6.202 -1.739 1.00 0.00 C
717
+ ATOM 716 O GLY A 46 0.265 5.886 -1.290 1.00 0.00 O
718
+ ATOM 717 H GLY A 46 0.936 6.727 -3.423 1.00 0.00 H
719
+ ATOM 718 HA2 GLY A 46 -1.195 7.983 -2.726 1.00 0.00 H
720
+ ATOM 719 HA3 GLY A 46 -1.678 6.748 -3.547 1.00 0.00 H
721
+ ATOM 720 N PHE A 47 -1.991 5.800 -1.182 1.00 0.00 N
722
+ ATOM 721 CA PHE A 47 -2.106 5.032 0.063 1.00 0.00 C
723
+ ATOM 722 C PHE A 47 -2.081 3.514 -0.204 1.00 0.00 C
724
+ ATOM 723 O PHE A 47 -2.705 3.038 -1.151 1.00 0.00 O
725
+ ATOM 724 CB PHE A 47 -3.393 5.437 0.802 1.00 0.00 C
726
+ ATOM 725 CG PHE A 47 -3.458 6.893 1.232 1.00 0.00 C
727
+ ATOM 726 CD1 PHE A 47 -2.937 7.287 2.486 1.00 0.00 C
728
+ ATOM 727 CD2 PHE A 47 -4.064 7.856 0.393 1.00 0.00 C
729
+ ATOM 728 CE1 PHE A 47 -3.041 8.629 2.907 1.00 0.00 C
730
+ ATOM 729 CE2 PHE A 47 -4.147 9.203 0.804 1.00 0.00 C
731
+ ATOM 730 CZ PHE A 47 -3.638 9.590 2.063 1.00 0.00 C
732
+ ATOM 731 H PHE A 47 -2.755 5.976 -1.536 1.00 0.00 H
733
+ ATOM 732 HA PHE A 47 -1.340 5.236 0.622 1.00 0.00 H
734
+ ATOM 733 HB2 PHE A 47 -4.152 5.250 0.228 1.00 0.00 H
735
+ ATOM 734 HB3 PHE A 47 -3.488 4.877 1.589 1.00 0.00 H
736
+ ATOM 735 HD1 PHE A 47 -2.525 6.659 3.035 1.00 0.00 H
737
+ ATOM 736 HD2 PHE A 47 -4.409 7.601 -0.432 1.00 0.00 H
738
+ ATOM 737 HE1 PHE A 47 -2.716 8.881 3.741 1.00 0.00 H
739
+ ATOM 738 HE2 PHE A 47 -4.537 9.836 0.246 1.00 0.00 H
740
+ ATOM 739 HZ PHE A 47 -3.696 10.477 2.336 1.00 0.00 H
741
+ ATOM 740 N ILE A 48 -1.351 2.759 0.634 1.00 0.00 N
742
+ ATOM 741 CA ILE A 48 -1.050 1.334 0.483 1.00 0.00 C
743
+ ATOM 742 C ILE A 48 -1.346 0.590 1.801 1.00 0.00 C
744
+ ATOM 743 O ILE A 48 -0.793 0.980 2.830 1.00 0.00 O
745
+ ATOM 744 CB ILE A 48 0.440 1.177 0.097 1.00 0.00 C
746
+ ATOM 745 CG1 ILE A 48 0.867 -0.300 0.130 1.00 0.00 C
747
+ ATOM 746 CG2 ILE A 48 0.721 1.865 -1.249 1.00 0.00 C
748
+ ATOM 747 CD1 ILE A 48 2.124 -0.603 -0.693 1.00 0.00 C
749
+ ATOM 748 H ILE A 48 -1.000 3.090 1.346 1.00 0.00 H
750
+ ATOM 749 HA ILE A 48 -1.606 0.951 -0.213 1.00 0.00 H
751
+ ATOM 750 HB ILE A 48 0.989 1.627 0.758 1.00 0.00 H
752
+ ATOM 751 HG12 ILE A 48 1.024 -0.562 1.051 1.00 0.00 H
753
+ ATOM 752 HG13 ILE A 48 0.136 -0.846 -0.200 1.00 0.00 H
754
+ ATOM 753 HG21 ILE A 48 1.658 1.759 -1.478 1.00 0.00 H
755
+ ATOM 754 HG22 ILE A 48 0.172 1.462 -1.940 1.00 0.00 H
756
+ ATOM 755 HG23 ILE A 48 0.511 2.809 -1.180 1.00 0.00 H
757
+ ATOM 756 HD11 ILE A 48 2.334 -1.548 -0.627 1.00 0.00 H
758
+ ATOM 757 HD12 ILE A 48 1.967 -0.371 -1.622 1.00 0.00 H
759
+ ATOM 758 HD13 ILE A 48 2.868 -0.082 -0.352 1.00 0.00 H
760
+ ATOM 759 N PRO A 49 -2.150 -0.496 1.806 1.00 0.00 N
761
+ ATOM 760 CA PRO A 49 -2.353 -1.330 2.991 1.00 0.00 C
762
+ ATOM 761 C PRO A 49 -1.048 -1.976 3.485 1.00 0.00 C
763
+ ATOM 762 O PRO A 49 -0.290 -2.529 2.687 1.00 0.00 O
764
+ ATOM 763 CB PRO A 49 -3.352 -2.423 2.582 1.00 0.00 C
765
+ ATOM 764 CG PRO A 49 -4.058 -1.835 1.367 1.00 0.00 C
766
+ ATOM 765 CD PRO A 49 -2.955 -1.008 0.704 1.00 0.00 C
767
+ ATOM 766 HA PRO A 49 -2.680 -0.785 3.724 1.00 0.00 H
768
+ ATOM 767 HB2 PRO A 49 -2.901 -3.254 2.364 1.00 0.00 H
769
+ ATOM 768 HB3 PRO A 49 -3.978 -2.619 3.297 1.00 0.00 H
770
+ ATOM 769 HG2 PRO A 49 -4.394 -2.527 0.776 1.00 0.00 H
771
+ ATOM 770 HG3 PRO A 49 -4.816 -1.286 1.622 1.00 0.00 H
772
+ ATOM 771 HD2 PRO A 49 -2.422 -1.552 0.103 1.00 0.00 H
773
+ ATOM 772 HD3 PRO A 49 -3.328 -0.285 0.176 1.00 0.00 H
774
+ ATOM 773 N LYS A 50 -0.827 -1.962 4.807 1.00 0.00 N
775
+ ATOM 774 CA LYS A 50 0.243 -2.705 5.479 1.00 0.00 C
776
+ ATOM 775 C LYS A 50 0.272 -4.200 5.096 1.00 0.00 C
777
+ ATOM 776 O LYS A 50 1.343 -4.774 4.902 1.00 0.00 O
778
+ ATOM 777 CB LYS A 50 0.124 -2.513 7.004 1.00 0.00 C
779
+ ATOM 778 CG LYS A 50 -1.194 -3.033 7.607 1.00 0.00 C
780
+ ATOM 779 CD LYS A 50 -1.247 -2.798 9.123 1.00 0.00 C
781
+ ATOM 780 CE LYS A 50 -2.634 -3.095 9.715 1.00 0.00 C
782
+ ATOM 781 NZ LYS A 50 -3.038 -4.501 9.521 1.00 0.00 N
783
+ ATOM 782 H LYS A 50 -1.312 -1.505 5.351 1.00 0.00 H
784
+ ATOM 783 HA LYS A 50 1.090 -2.343 5.175 1.00 0.00 H
785
+ ATOM 784 HB2 LYS A 50 0.866 -2.966 7.435 1.00 0.00 H
786
+ ATOM 785 HB3 LYS A 50 0.211 -1.569 7.208 1.00 0.00 H
787
+ ATOM 786 HG2 LYS A 50 -1.944 -2.588 7.182 1.00 0.00 H
788
+ ATOM 787 HG3 LYS A 50 -1.285 -3.981 7.421 1.00 0.00 H
789
+ ATOM 788 HD2 LYS A 50 -0.586 -3.359 9.558 1.00 0.00 H
790
+ ATOM 789 HD3 LYS A 50 -1.007 -1.878 9.313 1.00 0.00 H
791
+ ATOM 790 HE2 LYS A 50 -2.629 -2.890 10.663 1.00 0.00 H
792
+ ATOM 791 HE3 LYS A 50 -3.291 -2.512 9.302 1.00 0.00 H
793
+ ATOM 792 HZ1 LYS A 50 -3.774 -4.532 9.021 1.00 0.00 H
794
+ ATOM 793 HZ2 LYS A 50 -2.383 -4.945 9.113 1.00 0.00 H
795
+ ATOM 794 HZ3 LYS A 50 -3.201 -4.875 10.312 1.00 0.00 H
796
+ ATOM 795 N ASN A 51 -0.911 -4.823 4.989 1.00 0.00 N
797
+ ATOM 796 CA ASN A 51 -1.107 -6.247 4.717 1.00 0.00 C
798
+ ATOM 797 C ASN A 51 -0.658 -6.655 3.303 1.00 0.00 C
799
+ ATOM 798 O ASN A 51 -0.095 -7.736 3.130 1.00 0.00 O
800
+ ATOM 799 CB ASN A 51 -2.590 -6.603 4.930 1.00 0.00 C
801
+ ATOM 800 CG ASN A 51 -3.044 -6.392 6.374 1.00 0.00 C
802
+ ATOM 801 OD1 ASN A 51 -3.539 -5.327 6.735 1.00 0.00 O
803
+ ATOM 802 ND2 ASN A 51 -2.874 -7.412 7.214 1.00 0.00 N
804
+ ATOM 803 H ASN A 51 -1.655 -4.401 5.078 1.00 0.00 H
805
+ ATOM 804 HA ASN A 51 -0.548 -6.743 5.336 1.00 0.00 H
806
+ ATOM 805 HB2 ASN A 51 -3.137 -6.061 4.340 1.00 0.00 H
807
+ ATOM 806 HB3 ASN A 51 -2.736 -7.529 4.681 1.00 0.00 H
808
+ ATOM 807 HD21 ASN A 51 -3.114 -7.336 8.036 1.00 0.00 H
809
+ ATOM 808 HD22 ASN A 51 -2.525 -8.146 6.934 1.00 0.00 H
810
+ ATOM 809 N TYR A 52 -0.940 -5.819 2.291 1.00 0.00 N
811
+ ATOM 810 CA TYR A 52 -0.775 -6.150 0.874 1.00 0.00 C
812
+ ATOM 811 C TYR A 52 0.692 -6.262 0.414 1.00 0.00 C
813
+ ATOM 812 O TYR A 52 0.955 -6.924 -0.592 1.00 0.00 O
814
+ ATOM 813 CB TYR A 52 -1.580 -5.164 -0.002 1.00 0.00 C
815
+ ATOM 814 CG TYR A 52 -3.056 -5.512 -0.183 1.00 0.00 C
816
+ ATOM 815 CD1 TYR A 52 -3.884 -5.733 0.942 1.00 0.00 C
817
+ ATOM 816 CD2 TYR A 52 -3.585 -5.722 -1.481 1.00 0.00 C
818
+ ATOM 817 CE1 TYR A 52 -5.221 -6.145 0.775 1.00 0.00 C
819
+ ATOM 818 CE2 TYR A 52 -4.924 -6.135 -1.646 1.00 0.00 C
820
+ ATOM 819 CZ TYR A 52 -5.742 -6.350 -0.518 1.00 0.00 C
821
+ ATOM 820 OH TYR A 52 -7.034 -6.757 -0.676 1.00 0.00 O
822
+ ATOM 821 H TYR A 52 -1.240 -5.023 2.419 1.00 0.00 H
823
+ ATOM 822 HA TYR A 52 -1.134 -7.044 0.759 1.00 0.00 H
824
+ ATOM 823 HB2 TYR A 52 -1.517 -4.279 0.390 1.00 0.00 H
825
+ ATOM 824 HB3 TYR A 52 -1.164 -5.117 -0.877 1.00 0.00 H
826
+ ATOM 825 HD1 TYR A 52 -3.544 -5.605 1.798 1.00 0.00 H
827
+ ATOM 826 HD2 TYR A 52 -3.047 -5.587 -2.227 1.00 0.00 H
828
+ ATOM 827 HE1 TYR A 52 -5.761 -6.282 1.520 1.00 0.00 H
829
+ ATOM 828 HE2 TYR A 52 -5.268 -6.266 -2.500 1.00 0.00 H
830
+ ATOM 829 HH TYR A 52 -7.193 -6.876 -1.492 1.00 0.00 H
831
+ ATOM 830 N ILE A 53 1.634 -5.629 1.130 1.00 0.00 N
832
+ ATOM 831 CA ILE A 53 3.063 -5.601 0.808 1.00 0.00 C
833
+ ATOM 832 C ILE A 53 3.874 -6.442 1.812 1.00 0.00 C
834
+ ATOM 833 O ILE A 53 3.473 -6.602 2.966 1.00 0.00 O
835
+ ATOM 834 CB ILE A 53 3.536 -4.126 0.739 1.00 0.00 C
836
+ ATOM 835 CG1 ILE A 53 3.927 -3.560 2.120 1.00 0.00 C
837
+ ATOM 836 CG2 ILE A 53 4.678 -3.964 -0.277 1.00 0.00 C
838
+ ATOM 837 CD1 ILE A 53 4.077 -2.034 2.144 1.00 0.00 C
839
+ ATOM 838 H ILE A 53 1.446 -5.188 1.844 1.00 0.00 H
840
+ ATOM 839 HA ILE A 53 3.214 -6.006 -0.060 1.00 0.00 H
841
+ ATOM 840 HB ILE A 53 2.779 -3.602 0.434 1.00 0.00 H
842
+ ATOM 841 HG12 ILE A 53 3.255 -3.821 2.769 1.00 0.00 H
843
+ ATOM 842 HG13 ILE A 53 4.764 -3.963 2.400 1.00 0.00 H
844
+ ATOM 843 HG21 ILE A 53 4.958 -3.036 -0.304 1.00 0.00 H
845
+ ATOM 844 HG22 ILE A 53 5.428 -4.520 -0.013 1.00 0.00 H
846
+ ATOM 845 HG23 ILE A 53 4.370 -4.234 -1.156 1.00 0.00 H
847
+ ATOM 846 HD11 ILE A 53 4.322 -1.747 3.037 1.00 0.00 H
848
+ ATOM 847 HD12 ILE A 53 4.768 -1.767 1.518 1.00 0.00 H
849
+ ATOM 848 HD13 ILE A 53 3.236 -1.622 1.892 1.00 0.00 H
850
+ ATOM 849 N GLU A 54 5.040 -6.945 1.382 1.00 0.00 N
851
+ ATOM 850 CA GLU A 54 6.015 -7.626 2.231 1.00 0.00 C
852
+ ATOM 851 C GLU A 54 6.849 -6.583 2.999 1.00 0.00 C
853
+ ATOM 852 O GLU A 54 8.043 -6.409 2.756 1.00 0.00 O
854
+ ATOM 853 CB GLU A 54 6.874 -8.576 1.373 1.00 0.00 C
855
+ ATOM 854 CG GLU A 54 7.730 -9.526 2.235 1.00 0.00 C
856
+ ATOM 855 CD GLU A 54 6.921 -10.469 3.133 1.00 0.00 C
857
+ ATOM 856 OE1 GLU A 54 5.827 -10.892 2.698 1.00 0.00 O
858
+ ATOM 857 OE2 GLU A 54 7.413 -10.757 4.247 1.00 0.00 O
859
+ ATOM 858 H GLU A 54 5.288 -6.895 0.560 1.00 0.00 H
860
+ ATOM 859 HA GLU A 54 5.567 -8.173 2.895 1.00 0.00 H
861
+ ATOM 860 HB2 GLU A 54 6.296 -9.099 0.795 1.00 0.00 H
862
+ ATOM 861 HB3 GLU A 54 7.454 -8.054 0.797 1.00 0.00 H
863
+ ATOM 862 HG2 GLU A 54 8.292 -10.058 1.650 1.00 0.00 H
864
+ ATOM 863 HG3 GLU A 54 8.321 -8.995 2.791 1.00 0.00 H
865
+ ATOM 864 N MET A 55 6.191 -5.874 3.926 1.00 0.00 N
866
+ ATOM 865 CA MET A 55 6.770 -4.806 4.745 1.00 0.00 C
867
+ ATOM 866 C MET A 55 7.900 -5.301 5.664 1.00 0.00 C
868
+ ATOM 867 O MET A 55 8.866 -4.576 5.900 1.00 0.00 O
869
+ ATOM 868 CB MET A 55 5.665 -4.076 5.535 1.00 0.00 C
870
+ ATOM 869 CG MET A 55 4.811 -4.987 6.432 1.00 0.00 C
871
+ ATOM 870 SD MET A 55 3.611 -4.102 7.461 1.00 0.00 S
872
+ ATOM 871 CE MET A 55 2.704 -5.504 8.161 1.00 0.00 C
873
+ ATOM 872 H MET A 55 5.360 -6.011 4.100 1.00 0.00 H
874
+ ATOM 873 HA MET A 55 7.185 -4.171 4.140 1.00 0.00 H
875
+ ATOM 874 HB2 MET A 55 6.076 -3.392 6.087 1.00 0.00 H
876
+ ATOM 875 HB3 MET A 55 5.082 -3.621 4.907 1.00 0.00 H
877
+ ATOM 876 HG2 MET A 55 4.336 -5.622 5.873 1.00 0.00 H
878
+ ATOM 877 HG3 MET A 55 5.399 -5.500 7.008 1.00 0.00 H
879
+ ATOM 878 HE1 MET A 55 2.007 -5.177 8.751 1.00 0.00 H
880
+ ATOM 879 HE2 MET A 55 2.304 -6.021 7.444 1.00 0.00 H
881
+ ATOM 880 HE3 MET A 55 3.314 -6.067 8.663 1.00 0.00 H
882
+ ATOM 881 N LYS A 56 7.765 -6.528 6.184 1.00 0.00 N
883
+ ATOM 882 CA LYS A 56 8.722 -7.209 7.051 1.00 0.00 C
884
+ ATOM 883 C LYS A 56 8.801 -8.683 6.628 1.00 0.00 C
885
+ ATOM 884 O LYS A 56 9.891 -9.189 6.373 1.00 0.00 O
886
+ ATOM 885 CB LYS A 56 8.306 -7.056 8.527 1.00 0.00 C
887
+ ATOM 886 CG LYS A 56 8.250 -5.582 8.966 1.00 0.00 C
888
+ ATOM 887 CD LYS A 56 7.951 -5.450 10.468 1.00 0.00 C
889
+ ATOM 888 CE LYS A 56 7.674 -3.994 10.879 1.00 0.00 C
890
+ ATOM 889 NZ LYS A 56 8.824 -3.107 10.620 1.00 0.00 N
891
+ ATOM 890 OXT LYS A 56 7.613 -9.344 6.527 1.00 0.00 O
892
+ ATOM 891 H LYS A 56 7.069 -7.009 6.027 1.00 0.00 H
893
+ ATOM 892 HA LYS A 56 9.602 -6.812 6.962 1.00 0.00 H
894
+ ATOM 893 HB2 LYS A 56 7.436 -7.465 8.660 1.00 0.00 H
895
+ ATOM 894 HB3 LYS A 56 8.934 -7.536 9.090 1.00 0.00 H
896
+ ATOM 895 HG2 LYS A 56 9.095 -5.151 8.765 1.00 0.00 H
897
+ ATOM 896 HG3 LYS A 56 7.567 -5.118 8.457 1.00 0.00 H
898
+ ATOM 897 HD2 LYS A 56 7.184 -5.999 10.693 1.00 0.00 H
899
+ ATOM 898 HD3 LYS A 56 8.703 -5.791 10.977 1.00 0.00 H
900
+ ATOM 899 HE2 LYS A 56 6.900 -3.666 10.395 1.00 0.00 H
901
+ ATOM 900 HE3 LYS A 56 7.452 -3.964 11.823 1.00 0.00 H
902
+ ATOM 901 HZ1 LYS A 56 9.096 -2.742 11.385 1.00 0.00 H
903
+ ATOM 902 HZ2 LYS A 56 9.489 -3.579 10.264 1.00 0.00 H
904
+ ATOM 903 HZ3 LYS A 56 8.582 -2.464 10.054 1.00 0.00 H
905
+ TER 904 LYS A 56
906
+ END
1gzg/1gzg_ligand.mol2 ADDED
@@ -0,0 +1,45 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1gzg_ligand
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+ 15 14 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
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12
+ @<TRIPOS>ATOM
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+ 1 C4 118.9690 33.6120 -28.3970 C.2 1 LAF 0.1374
14
+ 2 C5 117.9510 34.0230 -29.4770 C.3 1 LAF 0.1632
15
+ 3 C3 118.5230 32.6710 -27.2660 C.3 1 LAF 0.0352
16
+ 4 C2 119.6580 32.3770 -26.2840 C.3 1 LAF 0.0161
17
+ 5 C1 120.2260 30.9650 -26.4440 C.2 1 LAF 0.0371
18
+ 6 O4 120.0490 33.8910 -28.2690 O.2 1 LAF -0.3887
19
+ 7 O1 119.3850 30.0360 -26.5040 O.co2 1 LAF -0.5688
20
+ 8 OH1 121.4660 30.8210 -26.5050 O.co2 1 LAF -0.5688
21
+ 9 F 118.3360 34.5170 -30.6940 F 1 LAF -0.2266
22
+ 10 H1 117.3144 34.7951 -29.0203 H 1 LAF 0.0852
23
+ 11 H2 117.3479 33.1273 -29.6866 H 1 LAF 0.0852
24
+ 12 H3 118.1805 31.7232 -27.7069 H 1 LAF 0.0513
25
+ 13 H4 117.6931 33.1419 -26.7188 H 1 LAF 0.0513
26
+ 14 H5 119.2743 32.4879 -25.2591 H 1 LAF 0.0456
27
+ 15 H6 120.4669 33.1030 -26.4533 H 1 LAF 0.0456
28
+ @<TRIPOS>BOND
29
+ 1 1 2 1
30
+ 2 1 3 1
31
+ 3 1 6 2
32
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33
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34
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35
+ 7 5 7 ar
36
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37
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38
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+ 12 3 13 1
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+ 13 4 14 1
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+ 14 4 15 1
43
+ @<TRIPOS>SUBSTRUCTURE
44
+ 1 LAF 1
45
+
1gzg/1gzg_ligand.sdf ADDED
@@ -0,0 +1,37 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1gzg_ligand
2
+ -I-interpret-
3
+
4
+ 16 15 0 0 0 0 0 0 0 0999 V2000
5
+ 118.9690 33.6120 -28.3970 C 0 0 0 0 0
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+ 4 14 1 0 0 0
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+ 4 15 1 0 0 0
35
+ 7 16 1 0 0 0
36
+ M END
37
+ $$$$
1gzg/1gzg_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gzg/1gzg_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qf4/1qf4_ligand.mol2 ADDED
@@ -0,0 +1,117 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1qf4_ligand
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+ 50 51 1 0 0
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9
+ GAST_HUCK
10
+
11
+
12
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13
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14
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15
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16
+ 4 P 25.7800 13.0510 23.4200 P.3 1 RPD 0.2008
17
+ 5 O5 25.6680 14.0530 24.6980 O.3 1 RPD -0.2734
18
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21
+ 9 C3 26.3860 16.3200 26.2030 C.3 1 RPD 0.1134
22
+ 10 O3 26.8060 17.2530 27.2110 O.3 1 RPD -0.3866
23
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24
+ 12 O2 27.1060 18.1810 24.7780 O.3 1 RPD -0.3851
25
+ 13 C1 28.3510 16.0740 24.6910 C.3 1 RPD 0.2716
26
+ 14 N1 28.4020 15.4320 23.4830 N.am 1 RPD -0.2326
27
+ 15 C2 29.5070 15.8380 22.7560 C.2 1 RPD 0.2917
28
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29
+ 17 N3 30.2130 16.7690 23.4730 N.am 1 RPD -0.1665
30
+ 18 C4 29.5130 16.9360 24.6750 C.2 1 RPD 0.2857
31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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44
+ 32 H2 25.4383 13.5905 26.6819 H 1 RPD 0.0639
45
+ 33 H3 27.2367 14.8626 27.5145 H 1 RPD 0.0648
46
+ 34 H4 25.2894 16.2354 26.1893 H 1 RPD 0.0646
47
+ 35 H5 26.5613 16.9234 28.0677 H 1 RPD 0.2100
48
+ 36 H6 26.2962 16.4172 23.9906 H 1 RPD 0.0658
49
+ 37 H7 27.7041 18.4495 25.4655 H 1 RPD 0.2099
50
+ 38 H8 27.7312 14.7603 23.1685 H 1 RPD 0.1863
51
+ 39 H9 31.8938 16.8939 22.1960 H 1 RPD 0.0576
52
+ 40 H10 32.1676 17.4681 23.8759 H 1 RPD 0.0576
53
+ 41 H11 32.0529 19.3282 22.1467 H 1 RPD 0.0291
54
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55
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56
+ 44 H14 30.2723 18.3190 20.6821 H 1 RPD 0.0339
57
+ 45 H15 30.0298 21.0512 21.9636 H 1 RPD 0.1037
58
+ 46 H16 30.0141 21.0384 19.1645 H 1 RPD 0.2428
59
+ 47 H17 31.9761 21.7467 21.0351 H 1 RPD 0.2697
60
+ 48 H18 30.9072 18.8428 19.2154 H 1 RPD 0.1158
61
+ 49 H19 32.1817 19.4459 20.3284 H 1 RPD 0.1158
62
+ 50 H20 32.8678 19.3961 18.1201 H 1 RPD 0.2151
63
+ @<TRIPOS>BOND
64
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112
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115
+ @<TRIPOS>SUBSTRUCTURE
116
+ 1 RPD 1
117
+
1qf4/1qf4_ligand.sdf ADDED
@@ -0,0 +1,113 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1qf4_ligand
2
+ -I-interpret-
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4
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14
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15
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20
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22
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The diff for this file is too large to render. See raw diff
 
1qf4/1qf4_protein_processed_fix.pdb ADDED
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1t46/1t46_ligand.mol2 ADDED
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1t46/1t46_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1t46/1t46_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xor/1xor_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
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+ ###
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12
+ ATOM 11 CD PRO A 2 21.686 -12.236 -15.951 1.00 0.00 C
13
+ ATOM 12 N LEU A 3 20.789 -12.005 -20.378 1.00 0.00 N
14
+ ATOM 13 CA LEU A 3 19.595 -11.517 -21.058 1.00 0.00 C
15
+ ATOM 14 C LEU A 3 18.355 -11.722 -20.195 1.00 0.00 C
16
+ ATOM 15 CB LEU A 3 19.417 -12.224 -22.405 1.00 0.00 C
17
+ ATOM 16 O LEU A 3 17.929 -12.859 -19.974 1.00 0.00 O
18
+ ATOM 17 CG LEU A 3 20.315 -11.744 -23.546 1.00 0.00 C
19
+ ATOM 18 CD1 LEU A 3 20.506 -12.856 -24.572 1.00 0.00 C
20
+ ATOM 19 CD2 LEU A 3 19.729 -10.499 -24.202 1.00 0.00 C
21
+ ATOM 20 N GLY A 4 18.323 -11.692 -18.783 1.00 0.00 N
22
+ ATOM 21 CA GLY A 4 17.121 -11.581 -17.972 1.00 0.00 C
23
+ ATOM 22 C GLY A 4 15.891 -11.206 -18.776 1.00 0.00 C
24
+ ATOM 23 O GLY A 4 15.959 -10.350 -19.661 1.00 0.00 O
25
+ ATOM 24 N SER A 5 15.526 -12.170 -19.726 1.00 0.00 N
26
+ ATOM 25 CA SER A 5 14.186 -12.085 -20.296 1.00 0.00 C
27
+ ATOM 26 C SER A 5 13.610 -10.680 -20.150 1.00 0.00 C
28
+ ATOM 27 CB SER A 5 13.255 -13.099 -19.630 1.00 0.00 C
29
+ ATOM 28 O SER A 5 13.362 -10.219 -19.034 1.00 0.00 O
30
+ ATOM 29 OG SER A 5 12.933 -12.695 -18.311 1.00 0.00 O
31
+ ATOM 30 N MET A 6 14.337 -9.600 -20.635 1.00 0.00 N
32
+ ATOM 31 CA MET A 6 13.742 -8.275 -20.785 1.00 0.00 C
33
+ ATOM 32 C MET A 6 12.221 -8.365 -20.850 1.00 0.00 C
34
+ ATOM 33 CB MET A 6 14.280 -7.583 -22.040 1.00 0.00 C
35
+ ATOM 34 O MET A 6 11.674 -9.139 -21.637 1.00 0.00 O
36
+ ATOM 35 CG MET A 6 15.679 -7.014 -21.873 1.00 0.00 C
37
+ ATOM 36 SD MET A 6 16.074 -5.741 -23.136 1.00 0.00 S
38
+ ATOM 37 CE MET A 6 16.572 -6.807 -24.518 1.00 0.00 C
39
+ ATOM 38 N ALA A 7 11.561 -8.352 -19.692 1.00 0.00 N
40
+ ATOM 39 CA ALA A 7 10.109 -8.204 -19.754 1.00 0.00 C
41
+ ATOM 40 C ALA A 7 9.691 -7.390 -20.975 1.00 0.00 C
42
+ ATOM 41 CB ALA A 7 9.586 -7.551 -18.477 1.00 0.00 C
43
+ ATOM 42 O ALA A 7 10.329 -6.387 -21.307 1.00 0.00 O
44
+ ATOM 43 N LEU A 8 9.047 -8.021 -21.850 1.00 0.00 N
45
+ ATOM 44 CA LEU A 8 8.479 -7.271 -22.965 1.00 0.00 C
46
+ ATOM 45 C LEU A 8 7.745 -6.030 -22.467 1.00 0.00 C
47
+ ATOM 46 CB LEU A 8 7.526 -8.153 -23.775 1.00 0.00 C
48
+ ATOM 47 O LEU A 8 6.926 -6.116 -21.551 1.00 0.00 O
49
+ ATOM 48 CG LEU A 8 8.150 -9.361 -24.475 1.00 0.00 C
50
+ ATOM 49 CD1 LEU A 8 7.063 -10.242 -25.081 1.00 0.00 C
51
+ ATOM 50 CD2 LEU A 8 9.136 -8.907 -25.547 1.00 0.00 C
52
+ ATOM 51 N ARG A 9 8.331 -4.844 -22.696 1.00 0.00 N
53
+ ATOM 52 CA ARG A 9 7.766 -3.565 -22.279 1.00 0.00 C
54
+ ATOM 53 C ARG A 9 6.835 -3.003 -23.349 1.00 0.00 C
55
+ ATOM 54 CB ARG A 9 8.879 -2.560 -21.973 1.00 0.00 C
56
+ ATOM 55 O ARG A 9 7.176 -2.995 -24.533 1.00 0.00 O
57
+ ATOM 56 CG ARG A 9 9.622 -2.840 -20.676 1.00 0.00 C
58
+ ATOM 57 CD ARG A 9 10.699 -1.799 -20.407 1.00 0.00 C
59
+ ATOM 58 NE ARG A 9 10.125 -0.521 -19.998 1.00 0.00 N
60
+ ATOM 59 NH1 ARG A 9 12.100 0.336 -19.160 1.00 0.00 N
61
+ ATOM 60 NH2 ARG A 9 10.179 1.586 -19.084 1.00 0.00 N
62
+ ATOM 61 CZ ARG A 9 10.802 0.464 -19.415 1.00 0.00 C
63
+ ATOM 62 N ALA A 10 5.624 -2.653 -22.990 1.00 0.00 N
64
+ ATOM 63 CA ALA A 10 4.612 -2.019 -23.832 1.00 0.00 C
65
+ ATOM 64 C ALA A 10 4.000 -0.808 -23.135 1.00 0.00 C
66
+ ATOM 65 CB ALA A 10 3.523 -3.023 -24.201 1.00 0.00 C
67
+ ATOM 66 O ALA A 10 4.113 -0.662 -21.915 1.00 0.00 O
68
+ ATOM 67 N CYS A 11 3.504 0.083 -23.944 1.00 0.00 N
69
+ ATOM 68 CA CYS A 11 2.843 1.274 -23.422 1.00 0.00 C
70
+ ATOM 69 C CYS A 11 1.538 1.542 -24.162 1.00 0.00 C
71
+ ATOM 70 CB CYS A 11 3.763 2.489 -23.533 1.00 0.00 C
72
+ ATOM 71 O CYS A 11 1.414 1.221 -25.346 1.00 0.00 O
73
+ ATOM 72 SG CYS A 11 5.345 2.285 -22.687 1.00 0.00 S
74
+ ATOM 73 N GLY A 12 0.569 2.073 -23.406 1.00 0.00 N
75
+ ATOM 74 CA GLY A 12 -0.739 2.339 -23.984 1.00 0.00 C
76
+ ATOM 75 C GLY A 12 -1.458 3.500 -23.324 1.00 0.00 C
77
+ ATOM 76 O GLY A 12 -0.932 4.115 -22.394 1.00 0.00 O
78
+ ATOM 77 N LEU A 13 -2.576 3.768 -23.897 1.00 0.00 N
79
+ ATOM 78 CA LEU A 13 -3.441 4.809 -23.351 1.00 0.00 C
80
+ ATOM 79 C LEU A 13 -4.802 4.240 -22.969 1.00 0.00 C
81
+ ATOM 80 CB LEU A 13 -3.614 5.947 -24.360 1.00 0.00 C
82
+ ATOM 81 O LEU A 13 -5.397 3.477 -23.733 1.00 0.00 O
83
+ ATOM 82 CG LEU A 13 -2.339 6.677 -24.786 1.00 0.00 C
84
+ ATOM 83 CD1 LEU A 13 -2.656 7.718 -25.853 1.00 0.00 C
85
+ ATOM 84 CD2 LEU A 13 -1.667 7.326 -23.581 1.00 0.00 C
86
+ ATOM 85 N ILE A 14 -5.259 4.499 -21.781 1.00 0.00 N
87
+ ATOM 86 CA ILE A 14 -6.667 4.346 -21.433 1.00 0.00 C
88
+ ATOM 87 C ILE A 14 -7.447 5.576 -21.890 1.00 0.00 C
89
+ ATOM 88 CB ILE A 14 -6.853 4.126 -19.915 1.00 0.00 C
90
+ ATOM 89 O ILE A 14 -7.393 6.628 -21.248 1.00 0.00 O
91
+ ATOM 90 CG1 ILE A 14 -6.126 2.854 -19.465 1.00 0.00 C
92
+ ATOM 91 CG2 ILE A 14 -8.340 4.062 -19.556 1.00 0.00 C
93
+ ATOM 92 CD1 ILE A 14 -6.015 2.704 -17.954 1.00 0.00 C
94
+ ATOM 93 N ILE A 15 -8.092 5.388 -22.993 1.00 0.00 N
95
+ ATOM 94 CA ILE A 15 -8.766 6.500 -23.653 1.00 0.00 C
96
+ ATOM 95 C ILE A 15 -10.210 6.593 -23.165 1.00 0.00 C
97
+ ATOM 96 CB ILE A 15 -8.727 6.352 -25.191 1.00 0.00 C
98
+ ATOM 97 O ILE A 15 -10.898 5.577 -23.048 1.00 0.00 O
99
+ ATOM 98 CG1 ILE A 15 -7.278 6.249 -25.681 1.00 0.00 C
100
+ ATOM 99 CG2 ILE A 15 -9.452 7.521 -25.864 1.00 0.00 C
101
+ ATOM 100 CD1 ILE A 15 -7.148 5.957 -27.170 1.00 0.00 C
102
+ ATOM 101 N PHE A 16 -10.604 7.799 -22.975 1.00 0.00 N
103
+ ATOM 102 CA PHE A 16 -11.982 7.963 -22.529 1.00 0.00 C
104
+ ATOM 103 C PHE A 16 -12.614 9.196 -23.165 1.00 0.00 C
105
+ ATOM 104 CB PHE A 16 -12.046 8.069 -21.002 1.00 0.00 C
106
+ ATOM 105 O PHE A 16 -11.910 10.056 -23.698 1.00 0.00 O
107
+ ATOM 106 CG PHE A 16 -11.539 9.379 -20.462 1.00 0.00 C
108
+ ATOM 107 CD1 PHE A 16 -10.179 9.586 -20.264 1.00 0.00 C
109
+ ATOM 108 CD2 PHE A 16 -12.423 10.404 -20.154 1.00 0.00 C
110
+ ATOM 109 CE1 PHE A 16 -9.707 10.797 -19.765 1.00 0.00 C
111
+ ATOM 110 CE2 PHE A 16 -11.959 11.618 -19.655 1.00 0.00 C
112
+ ATOM 111 CZ PHE A 16 -10.600 11.812 -19.460 1.00 0.00 C
113
+ ATOM 112 N ARG A 17 -13.915 9.229 -23.101 1.00 0.00 N
114
+ ATOM 113 CA ARG A 17 -14.703 10.397 -23.483 1.00 0.00 C
115
+ ATOM 114 C ARG A 17 -15.810 10.666 -22.470 1.00 0.00 C
116
+ ATOM 115 CB ARG A 17 -15.302 10.209 -24.878 1.00 0.00 C
117
+ ATOM 116 O ARG A 17 -16.263 9.749 -21.781 1.00 0.00 O
118
+ ATOM 117 CG ARG A 17 -16.412 9.171 -24.937 1.00 0.00 C
119
+ ATOM 118 CD ARG A 17 -16.895 8.941 -26.362 1.00 0.00 C
120
+ ATOM 119 NE ARG A 17 -17.990 7.976 -26.411 1.00 0.00 N
121
+ ATOM 120 NH1 ARG A 17 -18.066 7.870 -28.718 1.00 0.00 N
122
+ ATOM 121 NH2 ARG A 17 -19.514 6.616 -27.460 1.00 0.00 N
123
+ ATOM 122 CZ ARG A 17 -18.521 7.489 -27.530 1.00 0.00 C
124
+ ATOM 123 N ARG A 18 -16.189 11.894 -22.437 1.00 0.00 N
125
+ ATOM 124 CA ARG A 18 -17.280 12.303 -21.559 1.00 0.00 C
126
+ ATOM 125 C ARG A 18 -18.596 12.389 -22.324 1.00 0.00 C
127
+ ATOM 126 CB ARG A 18 -16.966 13.649 -20.901 1.00 0.00 C
128
+ ATOM 127 O ARG A 18 -18.648 12.958 -23.417 1.00 0.00 O
129
+ ATOM 128 CG ARG A 18 -15.740 13.625 -20.002 1.00 0.00 C
130
+ ATOM 129 CD ARG A 18 -15.418 15.005 -19.450 1.00 0.00 C
131
+ ATOM 130 NE ARG A 18 -14.188 14.999 -18.665 1.00 0.00 N
132
+ ATOM 131 NH1 ARG A 18 -12.843 15.762 -20.382 1.00 0.00 N
133
+ ATOM 132 NH2 ARG A 18 -11.939 15.314 -18.323 1.00 0.00 N
134
+ ATOM 133 CZ ARG A 18 -12.992 15.358 -19.126 1.00 0.00 C
135
+ ATOM 134 N CYS A 19 -19.517 11.630 -21.822 1.00 0.00 N
136
+ ATOM 135 CA CYS A 19 -20.832 11.647 -22.451 1.00 0.00 C
137
+ ATOM 136 C CYS A 19 -21.437 13.045 -22.417 1.00 0.00 C
138
+ ATOM 137 CB CYS A 19 -21.771 10.659 -21.758 1.00 0.00 C
139
+ ATOM 138 O CYS A 19 -21.324 13.750 -21.412 1.00 0.00 O
140
+ ATOM 139 SG CYS A 19 -21.252 8.936 -21.905 1.00 0.00 S
141
+ ATOM 140 N LEU A 20 -21.875 13.452 -23.552 1.00 0.00 N
142
+ ATOM 141 CA LEU A 20 -22.426 14.793 -23.713 1.00 0.00 C
143
+ ATOM 142 C LEU A 20 -23.668 14.978 -22.845 1.00 0.00 C
144
+ ATOM 143 CB LEU A 20 -22.772 15.056 -25.181 1.00 0.00 C
145
+ ATOM 144 O LEU A 20 -23.889 16.058 -22.295 1.00 0.00 O
146
+ ATOM 145 CG LEU A 20 -21.591 15.174 -26.145 1.00 0.00 C
147
+ ATOM 146 CD1 LEU A 20 -22.088 15.269 -27.584 1.00 0.00 C
148
+ ATOM 147 CD2 LEU A 20 -20.731 16.384 -25.792 1.00 0.00 C
149
+ ATOM 148 N ILE A 21 -24.473 14.006 -22.780 1.00 0.00 N
150
+ ATOM 149 CA ILE A 21 -25.694 14.063 -21.984 1.00 0.00 C
151
+ ATOM 150 C ILE A 21 -25.541 13.186 -20.742 1.00 0.00 C
152
+ ATOM 151 CB ILE A 21 -26.925 13.618 -22.805 1.00 0.00 C
153
+ ATOM 152 O ILE A 21 -25.213 12.003 -20.847 1.00 0.00 O
154
+ ATOM 153 CG1 ILE A 21 -27.009 14.413 -24.113 1.00 0.00 C
155
+ ATOM 154 CG2 ILE A 21 -28.208 13.780 -21.984 1.00 0.00 C
156
+ ATOM 155 CD1 ILE A 21 -28.081 13.914 -25.073 1.00 0.00 C
157
+ ATOM 156 N PRO A 22 -25.305 13.960 -19.577 1.00 0.00 N
158
+ ATOM 157 CA PRO A 22 -25.240 13.106 -18.389 1.00 0.00 C
159
+ ATOM 158 C PRO A 22 -26.273 11.982 -18.413 1.00 0.00 C
160
+ ATOM 159 CB PRO A 22 -25.519 14.079 -17.240 1.00 0.00 C
161
+ ATOM 160 O PRO A 22 -27.449 12.225 -18.695 1.00 0.00 O
162
+ ATOM 161 CG PRO A 22 -25.488 15.434 -17.871 1.00 0.00 C
163
+ ATOM 162 CD PRO A 22 -25.597 15.269 -19.359 1.00 0.00 C
164
+ ATOM 163 N LYS A 23 -25.888 10.805 -18.967 1.00 0.00 N
165
+ ATOM 164 CA LYS A 23 -26.723 9.626 -18.758 1.00 0.00 C
166
+ ATOM 165 C LYS A 23 -27.202 9.541 -17.311 1.00 0.00 C
167
+ ATOM 166 CB LYS A 23 -25.962 8.354 -19.134 1.00 0.00 C
168
+ ATOM 167 O LYS A 23 -26.508 9.988 -16.395 1.00 0.00 O
169
+ ATOM 168 CG LYS A 23 -25.735 8.188 -20.629 1.00 0.00 C
170
+ ATOM 169 CD LYS A 23 -25.147 6.821 -20.957 1.00 0.00 C
171
+ ATOM 170 CE LYS A 23 -24.866 6.675 -22.446 1.00 0.00 C
172
+ ATOM 171 NZ LYS A 23 -24.284 5.338 -22.771 1.00 0.00 N
173
+ ATOM 172 N VAL A 24 -28.410 9.606 -17.077 1.00 0.00 N
174
+ ATOM 173 CA VAL A 24 -29.188 9.480 -15.849 1.00 0.00 C
175
+ ATOM 174 C VAL A 24 -28.407 8.659 -14.825 1.00 0.00 C
176
+ ATOM 175 CB VAL A 24 -30.565 8.829 -16.114 1.00 0.00 C
177
+ ATOM 176 O VAL A 24 -28.493 8.913 -13.621 1.00 0.00 O
178
+ ATOM 177 CG1 VAL A 24 -31.446 8.903 -14.868 1.00 0.00 C
179
+ ATOM 178 CG2 VAL A 24 -31.253 9.503 -17.300 1.00 0.00 C
180
+ ATOM 179 N ASP A 25 -27.397 7.842 -15.272 1.00 0.00 N
181
+ ATOM 180 CA ASP A 25 -26.752 6.918 -14.345 1.00 0.00 C
182
+ ATOM 181 C ASP A 25 -25.347 7.394 -13.982 1.00 0.00 C
183
+ ATOM 182 CB ASP A 25 -26.692 5.511 -14.944 1.00 0.00 C
184
+ ATOM 183 O ASP A 25 -24.516 6.604 -13.528 1.00 0.00 O
185
+ ATOM 184 CG ASP A 25 -28.045 4.822 -14.975 1.00 0.00 C
186
+ ATOM 185 OD1 ASP A 25 -28.957 5.235 -14.225 1.00 0.00 O
187
+ ATOM 186 OD2 ASP A 25 -28.200 3.856 -15.753 1.00 0.00 O
188
+ ATOM 187 N ASN A 26 -24.983 8.660 -13.876 1.00 0.00 N
189
+ ATOM 188 CA ASN A 26 -23.688 9.136 -13.400 1.00 0.00 C
190
+ ATOM 189 C ASN A 26 -22.537 8.498 -14.173 1.00 0.00 C
191
+ ATOM 190 CB ASN A 26 -23.536 8.867 -11.901 1.00 0.00 C
192
+ ATOM 191 O ASN A 26 -21.416 8.414 -13.668 1.00 0.00 O
193
+ ATOM 192 CG ASN A 26 -24.145 9.961 -11.047 1.00 0.00 C
194
+ ATOM 193 ND2 ASN A 26 -24.264 9.703 -9.750 1.00 0.00 N
195
+ ATOM 194 OD1 ASN A 26 -24.508 11.028 -11.548 1.00 0.00 O
196
+ ATOM 195 N ASN A 27 -22.799 7.880 -15.219 1.00 0.00 N
197
+ ATOM 196 CA ASN A 27 -21.681 7.357 -15.997 1.00 0.00 C
198
+ ATOM 197 C ASN A 27 -21.317 8.288 -17.150 1.00 0.00 C
199
+ ATOM 198 CB ASN A 27 -22.003 5.958 -16.526 1.00 0.00 C
200
+ ATOM 199 O ASN A 27 -21.695 8.041 -18.297 1.00 0.00 O
201
+ ATOM 200 CG ASN A 27 -21.591 4.861 -15.565 1.00 0.00 C
202
+ ATOM 201 ND2 ASN A 27 -22.140 3.667 -15.756 1.00 0.00 N
203
+ ATOM 202 OD1 ASN A 27 -20.785 5.084 -14.658 1.00 0.00 O
204
+ ATOM 203 N ALA A 28 -20.807 9.374 -16.812 1.00 0.00 N
205
+ ATOM 204 CA ALA A 28 -20.456 10.425 -17.764 1.00 0.00 C
206
+ ATOM 205 C ALA A 28 -19.188 10.068 -18.533 1.00 0.00 C
207
+ ATOM 206 CB ALA A 28 -20.281 11.758 -17.043 1.00 0.00 C
208
+ ATOM 207 O ALA A 28 -18.789 10.787 -19.452 1.00 0.00 O
209
+ ATOM 208 N ILE A 29 -18.609 8.901 -18.128 1.00 0.00 N
210
+ ATOM 209 CA ILE A 29 -17.321 8.580 -18.733 1.00 0.00 C
211
+ ATOM 210 C ILE A 29 -17.404 7.226 -19.434 1.00 0.00 C
212
+ ATOM 211 CB ILE A 29 -16.190 8.571 -17.681 1.00 0.00 C
213
+ ATOM 212 O ILE A 29 -17.861 6.243 -18.847 1.00 0.00 O
214
+ ATOM 213 CG1 ILE A 29 -16.032 9.962 -17.056 1.00 0.00 C
215
+ ATOM 214 CG2 ILE A 29 -14.874 8.101 -18.308 1.00 0.00 C
216
+ ATOM 215 CD1 ILE A 29 -15.097 9.998 -15.854 1.00 0.00 C
217
+ ATOM 216 N GLU A 30 -16.989 7.132 -20.632 1.00 0.00 N
218
+ ATOM 217 CA GLU A 30 -16.856 5.904 -21.411 1.00 0.00 C
219
+ ATOM 218 C GLU A 30 -15.403 5.654 -21.805 1.00 0.00 C
220
+ ATOM 219 CB GLU A 30 -17.738 5.960 -22.661 1.00 0.00 C
221
+ ATOM 220 O GLU A 30 -14.682 6.589 -22.162 1.00 0.00 O
222
+ ATOM 221 CG GLU A 30 -19.225 6.069 -22.361 1.00 0.00 C
223
+ ATOM 222 CD GLU A 30 -20.073 6.303 -23.601 1.00 0.00 C
224
+ ATOM 223 OE1 GLU A 30 -19.612 7.010 -24.526 1.00 0.00 O
225
+ ATOM 224 OE2 GLU A 30 -21.207 5.778 -23.647 1.00 0.00 O
226
+ ATOM 225 N PHE A 31 -15.007 4.419 -21.715 1.00 0.00 N
227
+ ATOM 226 CA PHE A 31 -13.652 4.002 -22.054 1.00 0.00 C
228
+ ATOM 227 C PHE A 31 -13.633 3.257 -23.384 1.00 0.00 C
229
+ ATOM 228 CB PHE A 31 -13.068 3.117 -20.948 1.00 0.00 C
230
+ ATOM 229 O PHE A 31 -14.556 2.500 -23.691 1.00 0.00 O
231
+ ATOM 230 CG PHE A 31 -12.889 3.827 -19.634 1.00 0.00 C
232
+ ATOM 231 CD1 PHE A 31 -11.759 4.598 -19.391 1.00 0.00 C
233
+ ATOM 232 CD2 PHE A 31 -13.854 3.726 -18.640 1.00 0.00 C
234
+ ATOM 233 CE1 PHE A 31 -11.592 5.257 -18.176 1.00 0.00 C
235
+ ATOM 234 CE2 PHE A 31 -13.694 4.381 -17.422 1.00 0.00 C
236
+ ATOM 235 CZ PHE A 31 -12.561 5.144 -17.192 1.00 0.00 C
237
+ ATOM 236 N LEU A 32 -12.583 3.464 -24.151 1.00 0.00 N
238
+ ATOM 237 CA LEU A 32 -12.373 2.772 -25.419 1.00 0.00 C
239
+ ATOM 238 C LEU A 32 -11.631 1.457 -25.205 1.00 0.00 C
240
+ ATOM 239 CB LEU A 32 -11.593 3.661 -26.391 1.00 0.00 C
241
+ ATOM 240 O LEU A 32 -10.528 1.445 -24.655 1.00 0.00 O
242
+ ATOM 241 CG LEU A 32 -11.295 3.061 -27.767 1.00 0.00 C
243
+ ATOM 242 CD1 LEU A 32 -12.593 2.798 -28.522 1.00 0.00 C
244
+ ATOM 243 CD2 LEU A 32 -10.382 3.984 -28.567 1.00 0.00 C
245
+ ATOM 244 N LEU A 33 -12.253 0.389 -25.614 1.00 0.00 N
246
+ ATOM 245 CA LEU A 33 -11.598 -0.915 -25.642 1.00 0.00 C
247
+ ATOM 246 C LEU A 33 -11.621 -1.506 -27.046 1.00 0.00 C
248
+ ATOM 247 CB LEU A 33 -12.276 -1.874 -24.660 1.00 0.00 C
249
+ ATOM 248 O LEU A 33 -12.609 -1.362 -27.770 1.00 0.00 O
250
+ ATOM 249 CG LEU A 33 -12.292 -1.446 -23.192 1.00 0.00 C
251
+ ATOM 250 CD1 LEU A 33 -12.885 -2.549 -22.324 1.00 0.00 C
252
+ ATOM 251 CD2 LEU A 33 -10.884 -1.089 -22.725 1.00 0.00 C
253
+ ATOM 252 N LEU A 34 -10.523 -2.139 -27.409 1.00 0.00 N
254
+ ATOM 253 CA LEU A 34 -10.359 -2.813 -28.693 1.00 0.00 C
255
+ ATOM 254 C LEU A 34 -10.300 -4.326 -28.508 1.00 0.00 C
256
+ ATOM 255 CB LEU A 34 -9.093 -2.323 -29.399 1.00 0.00 C
257
+ ATOM 256 O LEU A 34 -9.681 -4.815 -27.561 1.00 0.00 O
258
+ ATOM 257 CG LEU A 34 -8.867 -0.810 -29.413 1.00 0.00 C
259
+ ATOM 258 CD1 LEU A 34 -7.538 -0.478 -30.084 1.00 0.00 C
260
+ ATOM 259 CD2 LEU A 34 -10.019 -0.103 -30.119 1.00 0.00 C
261
+ ATOM 260 N GLN A 35 -10.934 -4.976 -29.431 1.00 0.00 N
262
+ ATOM 261 CA GLN A 35 -10.895 -6.434 -29.411 1.00 0.00 C
263
+ ATOM 262 C GLN A 35 -9.784 -6.967 -30.312 1.00 0.00 C
264
+ ATOM 263 CB GLN A 35 -12.243 -7.015 -29.839 1.00 0.00 C
265
+ ATOM 264 O GLN A 35 -9.789 -6.724 -31.521 1.00 0.00 O
266
+ ATOM 265 CG GLN A 35 -12.363 -8.517 -29.626 1.00 0.00 C
267
+ ATOM 266 CD GLN A 35 -13.710 -9.067 -30.054 1.00 0.00 C
268
+ ATOM 267 NE2 GLN A 35 -14.118 -10.177 -29.447 1.00 0.00 N
269
+ ATOM 268 OE1 GLN A 35 -14.381 -8.497 -30.921 1.00 0.00 O
270
+ ATOM 269 N ALA A 36 -8.922 -7.702 -29.690 1.00 0.00 N
271
+ ATOM 270 CA ALA A 36 -7.852 -8.312 -30.475 1.00 0.00 C
272
+ ATOM 271 C ALA A 36 -8.416 -9.256 -31.533 1.00 0.00 C
273
+ ATOM 272 CB ALA A 36 -6.882 -9.058 -29.563 1.00 0.00 C
274
+ ATOM 273 O ALA A 36 -9.443 -9.904 -31.311 1.00 0.00 O
275
+ ATOM 274 N SER A 37 -7.703 -9.385 -32.719 1.00 0.00 N
276
+ ATOM 275 CA SER A 37 -8.127 -10.233 -33.827 1.00 0.00 C
277
+ ATOM 276 C SER A 37 -7.849 -11.705 -33.537 1.00 0.00 C
278
+ ATOM 277 CB SER A 37 -7.422 -9.818 -35.119 1.00 0.00 C
279
+ ATOM 278 O SER A 37 -8.518 -12.587 -34.078 1.00 0.00 O
280
+ ATOM 279 OG SER A 37 -7.849 -8.532 -35.536 1.00 0.00 O
281
+ ATOM 280 N ASP A 38 -6.791 -11.983 -32.745 1.00 0.00 N
282
+ ATOM 281 CA ASP A 38 -6.316 -13.358 -32.622 1.00 0.00 C
283
+ ATOM 282 C ASP A 38 -6.885 -14.026 -31.372 1.00 0.00 C
284
+ ATOM 283 CB ASP A 38 -4.787 -13.397 -32.590 1.00 0.00 C
285
+ ATOM 284 O ASP A 38 -6.618 -15.202 -31.114 1.00 0.00 O
286
+ ATOM 285 CG ASP A 38 -4.201 -12.676 -31.389 1.00 0.00 C
287
+ ATOM 286 OD1 ASP A 38 -4.964 -12.055 -30.617 1.00 0.00 O
288
+ ATOM 287 OD2 ASP A 38 -2.964 -12.725 -31.215 1.00 0.00 O
289
+ ATOM 288 N GLY A 39 -8.102 -13.704 -30.875 1.00 0.00 N
290
+ ATOM 289 CA GLY A 39 -8.662 -14.342 -29.695 1.00 0.00 C
291
+ ATOM 290 C GLY A 39 -9.887 -13.627 -29.155 1.00 0.00 C
292
+ ATOM 291 O GLY A 39 -9.986 -12.401 -29.243 1.00 0.00 O
293
+ ATOM 292 N ILE A 40 -11.011 -14.339 -29.044 1.00 0.00 N
294
+ ATOM 293 CA ILE A 40 -12.390 -13.886 -28.903 1.00 0.00 C
295
+ ATOM 294 C ILE A 40 -12.548 -13.110 -27.598 1.00 0.00 C
296
+ ATOM 295 CB ILE A 40 -13.381 -15.071 -28.945 1.00 0.00 C
297
+ ATOM 296 O ILE A 40 -13.479 -12.315 -27.449 1.00 0.00 O
298
+ ATOM 297 CG1 ILE A 40 -13.188 -15.883 -30.231 1.00 0.00 C
299
+ ATOM 298 CG2 ILE A 40 -14.824 -14.573 -28.823 1.00 0.00 C
300
+ ATOM 299 CD1 ILE A 40 -13.983 -17.180 -30.269 1.00 0.00 C
301
+ ATOM 300 N HIS A 41 -11.513 -13.061 -26.658 1.00 0.00 N
302
+ ATOM 301 CA HIS A 41 -11.862 -12.433 -25.388 1.00 0.00 C
303
+ ATOM 302 C HIS A 41 -10.803 -11.420 -24.964 1.00 0.00 C
304
+ ATOM 303 CB HIS A 41 -12.042 -13.492 -24.299 1.00 0.00 C
305
+ ATOM 304 O HIS A 41 -10.696 -11.085 -23.782 1.00 0.00 O
306
+ ATOM 305 CG HIS A 41 -13.154 -14.453 -24.574 1.00 0.00 C
307
+ ATOM 306 CD2 HIS A 41 -13.144 -15.794 -24.762 1.00 0.00 C
308
+ ATOM 307 ND1 HIS A 41 -14.468 -14.057 -24.685 1.00 0.00 N
309
+ ATOM 308 CE1 HIS A 41 -15.222 -15.116 -24.930 1.00 0.00 C
310
+ ATOM 309 NE2 HIS A 41 -14.443 -16.183 -24.982 1.00 0.00 N
311
+ ATOM 310 N HIS A 42 -10.199 -10.837 -25.982 1.00 0.00 N
312
+ ATOM 311 CA HIS A 42 -9.132 -9.957 -25.516 1.00 0.00 C
313
+ ATOM 312 C HIS A 42 -9.454 -8.496 -25.816 1.00 0.00 C
314
+ ATOM 313 CB HIS A 42 -7.799 -10.344 -26.157 1.00 0.00 C
315
+ ATOM 314 O HIS A 42 -9.201 -8.016 -26.922 1.00 0.00 O
316
+ ATOM 315 CG HIS A 42 -6.607 -9.964 -25.338 1.00 0.00 C
317
+ ATOM 316 CD2 HIS A 42 -6.054 -10.547 -24.249 1.00 0.00 C
318
+ ATOM 317 ND1 HIS A 42 -5.838 -8.853 -25.614 1.00 0.00 N
319
+ ATOM 318 CE1 HIS A 42 -4.860 -8.770 -24.727 1.00 0.00 C
320
+ ATOM 319 NE2 HIS A 42 -4.969 -9.786 -23.887 1.00 0.00 N
321
+ ATOM 320 N TRP A 43 -10.228 -7.948 -24.858 1.00 0.00 N
322
+ ATOM 321 CA TRP A 43 -10.557 -6.529 -24.942 1.00 0.00 C
323
+ ATOM 322 C TRP A 43 -9.608 -5.699 -24.085 1.00 0.00 C
324
+ ATOM 323 CB TRP A 43 -12.005 -6.285 -24.509 1.00 0.00 C
325
+ ATOM 324 O TRP A 43 -9.471 -5.945 -22.884 1.00 0.00 O
326
+ ATOM 325 CG TRP A 43 -13.026 -6.832 -25.459 1.00 0.00 C
327
+ ATOM 326 CD1 TRP A 43 -13.546 -8.097 -25.471 1.00 0.00 C
328
+ ATOM 327 CD2 TRP A 43 -13.649 -6.132 -26.540 1.00 0.00 C
329
+ ATOM 328 CE2 TRP A 43 -14.537 -7.034 -27.166 1.00 0.00 C
330
+ ATOM 329 CE3 TRP A 43 -13.543 -4.827 -27.040 1.00 0.00 C
331
+ ATOM 330 NE1 TRP A 43 -14.456 -8.224 -26.496 1.00 0.00 N
332
+ ATOM 331 CH2 TRP A 43 -15.192 -5.390 -28.738 1.00 0.00 C
333
+ ATOM 332 CZ2 TRP A 43 -15.315 -6.672 -28.269 1.00 0.00 C
334
+ ATOM 333 CZ3 TRP A 43 -14.318 -4.469 -28.137 1.00 0.00 C
335
+ ATOM 334 N THR A 44 -8.917 -4.741 -24.634 1.00 0.00 N
336
+ ATOM 335 CA THR A 44 -7.987 -3.864 -23.931 1.00 0.00 C
337
+ ATOM 336 C THR A 44 -7.944 -2.487 -24.587 1.00 0.00 C
338
+ ATOM 337 CB THR A 44 -6.568 -4.465 -23.899 1.00 0.00 C
339
+ ATOM 338 O THR A 44 -8.326 -2.334 -25.748 1.00 0.00 O
340
+ ATOM 339 CG2 THR A 44 -6.564 -5.827 -23.214 1.00 0.00 C
341
+ ATOM 340 OG1 THR A 44 -6.090 -4.616 -25.242 1.00 0.00 O
342
+ ATOM 341 N PRO A 45 -7.476 -1.480 -23.815 1.00 0.00 N
343
+ ATOM 342 CA PRO A 45 -7.091 -0.234 -24.482 1.00 0.00 C
344
+ ATOM 343 C PRO A 45 -5.924 -0.419 -25.450 1.00 0.00 C
345
+ ATOM 344 CB PRO A 45 -6.696 0.681 -23.320 1.00 0.00 C
346
+ ATOM 345 O PRO A 45 -5.185 -1.402 -25.351 1.00 0.00 O
347
+ ATOM 346 CG PRO A 45 -7.320 0.056 -22.113 1.00 0.00 C
348
+ ATOM 347 CD PRO A 45 -7.339 -1.433 -22.303 1.00 0.00 C
349
+ ATOM 348 N PRO A 46 -5.778 0.482 -26.405 1.00 0.00 N
350
+ ATOM 349 CA PRO A 46 -4.652 0.366 -27.335 1.00 0.00 C
351
+ ATOM 350 C PRO A 46 -3.299 0.390 -26.628 1.00 0.00 C
352
+ ATOM 351 CB PRO A 46 -4.815 1.590 -28.241 1.00 0.00 C
353
+ ATOM 352 O PRO A 46 -3.104 1.162 -25.686 1.00 0.00 O
354
+ ATOM 353 CG PRO A 46 -5.592 2.570 -27.423 1.00 0.00 C
355
+ ATOM 354 CD PRO A 46 -6.515 1.809 -26.515 1.00 0.00 C
356
+ ATOM 355 N LYS A 47 -2.418 -0.437 -27.135 1.00 0.00 N
357
+ ATOM 356 CA LYS A 47 -1.061 -0.558 -26.612 1.00 0.00 C
358
+ ATOM 357 C LYS A 47 -0.121 -1.154 -27.657 1.00 0.00 C
359
+ ATOM 358 CB LYS A 47 -1.047 -1.416 -25.345 1.00 0.00 C
360
+ ATOM 359 O LYS A 47 -0.558 -1.886 -28.547 1.00 0.00 O
361
+ ATOM 360 CG LYS A 47 -1.396 -2.877 -25.584 1.00 0.00 C
362
+ ATOM 361 CD LYS A 47 -1.492 -3.650 -24.274 1.00 0.00 C
363
+ ATOM 362 CE LYS A 47 -1.721 -5.135 -24.516 1.00 0.00 C
364
+ ATOM 363 NZ LYS A 47 -1.124 -5.586 -25.809 1.00 0.00 N
365
+ ATOM 364 N GLY A 48 1.169 -0.869 -27.449 1.00 0.00 N
366
+ ATOM 365 CA GLY A 48 2.175 -1.400 -28.354 1.00 0.00 C
367
+ ATOM 366 C GLY A 48 3.563 -1.445 -27.745 1.00 0.00 C
368
+ ATOM 367 O GLY A 48 3.833 -0.764 -26.753 1.00 0.00 O
369
+ ATOM 368 N HIS A 49 4.452 -2.261 -28.286 1.00 0.00 N
370
+ ATOM 369 CA HIS A 49 5.816 -2.469 -27.815 1.00 0.00 C
371
+ ATOM 370 C HIS A 49 6.657 -1.208 -27.988 1.00 0.00 C
372
+ ATOM 371 CB HIS A 49 6.467 -3.639 -28.554 1.00 0.00 C
373
+ ATOM 372 O HIS A 49 6.511 -0.491 -28.979 1.00 0.00 O
374
+ ATOM 373 CG HIS A 49 5.872 -4.969 -28.214 1.00 0.00 C
375
+ ATOM 374 CD2 HIS A 49 6.229 -5.891 -27.290 1.00 0.00 C
376
+ ATOM 375 ND1 HIS A 49 4.773 -5.482 -28.867 1.00 0.00 N
377
+ ATOM 376 CE1 HIS A 49 4.477 -6.665 -28.357 1.00 0.00 C
378
+ ATOM 377 NE2 HIS A 49 5.346 -6.937 -27.397 1.00 0.00 N
379
+ ATOM 378 N VAL A 50 7.497 -1.023 -27.027 1.00 0.00 N
380
+ ATOM 379 CA VAL A 50 8.428 0.098 -27.108 1.00 0.00 C
381
+ ATOM 380 C VAL A 50 9.483 -0.183 -28.176 1.00 0.00 C
382
+ ATOM 381 CB VAL A 50 9.107 0.371 -25.747 1.00 0.00 C
383
+ ATOM 382 O VAL A 50 10.120 -1.239 -28.164 1.00 0.00 O
384
+ ATOM 383 CG1 VAL A 50 10.099 1.527 -25.860 1.00 0.00 C
385
+ ATOM 384 CG2 VAL A 50 8.057 0.665 -24.677 1.00 0.00 C
386
+ ATOM 385 N GLU A 51 9.607 0.679 -29.053 1.00 0.00 N
387
+ ATOM 386 CA GLU A 51 10.641 0.591 -30.081 1.00 0.00 C
388
+ ATOM 387 C GLU A 51 11.930 1.268 -29.625 1.00 0.00 C
389
+ ATOM 388 CB GLU A 51 10.152 1.216 -31.390 1.00 0.00 C
390
+ ATOM 389 O GLU A 51 11.906 2.142 -28.757 1.00 0.00 O
391
+ ATOM 390 CG GLU A 51 8.961 0.498 -32.007 1.00 0.00 C
392
+ ATOM 391 CD GLU A 51 8.531 1.086 -33.341 1.00 0.00 C
393
+ ATOM 392 OE1 GLU A 51 9.070 2.144 -33.741 1.00 0.00 O
394
+ ATOM 393 OE2 GLU A 51 7.646 0.486 -33.992 1.00 0.00 O
395
+ ATOM 394 N PRO A 52 13.037 0.878 -30.140 1.00 0.00 N
396
+ ATOM 395 CA PRO A 52 14.295 1.511 -29.740 1.00 0.00 C
397
+ ATOM 396 C PRO A 52 14.277 3.028 -29.916 1.00 0.00 C
398
+ ATOM 397 CB PRO A 52 15.327 0.866 -30.669 1.00 0.00 C
399
+ ATOM 398 O PRO A 52 13.854 3.525 -30.963 1.00 0.00 O
400
+ ATOM 399 CG PRO A 52 14.727 -0.449 -31.050 1.00 0.00 C
401
+ ATOM 400 CD PRO A 52 13.236 -0.289 -31.129 1.00 0.00 C
402
+ ATOM 401 N GLY A 53 14.719 3.752 -28.851 1.00 0.00 N
403
+ ATOM 402 CA GLY A 53 14.839 5.198 -28.950 1.00 0.00 C
404
+ ATOM 403 C GLY A 53 13.548 5.928 -28.632 1.00 0.00 C
405
+ ATOM 404 O GLY A 53 13.520 7.159 -28.582 1.00 0.00 O
406
+ ATOM 405 N GLU A 54 12.504 5.126 -28.539 1.00 0.00 N
407
+ ATOM 406 CA GLU A 54 11.227 5.753 -28.210 1.00 0.00 C
408
+ ATOM 407 C GLU A 54 11.050 5.885 -26.700 1.00 0.00 C
409
+ ATOM 408 CB GLU A 54 10.066 4.956 -28.809 1.00 0.00 C
410
+ ATOM 409 O GLU A 54 11.518 5.036 -25.938 1.00 0.00 O
411
+ ATOM 410 CG GLU A 54 8.758 5.731 -28.873 1.00 0.00 C
412
+ ATOM 411 CD GLU A 54 7.635 4.956 -29.545 1.00 0.00 C
413
+ ATOM 412 OE1 GLU A 54 7.643 3.706 -29.490 1.00 0.00 O
414
+ ATOM 413 OE2 GLU A 54 6.740 5.606 -30.131 1.00 0.00 O
415
+ ATOM 414 N ASP A 55 10.476 7.064 -26.311 1.00 0.00 N
416
+ ATOM 415 CA ASP A 55 10.095 7.078 -24.901 1.00 0.00 C
417
+ ATOM 416 C ASP A 55 8.707 6.474 -24.701 1.00 0.00 C
418
+ ATOM 417 CB ASP A 55 10.133 8.504 -24.350 1.00 0.00 C
419
+ ATOM 418 O ASP A 55 7.977 6.249 -25.668 1.00 0.00 O
420
+ ATOM 419 CG ASP A 55 9.117 9.421 -25.007 1.00 0.00 C
421
+ ATOM 420 OD1 ASP A 55 7.966 8.990 -25.238 1.00 0.00 O
422
+ ATOM 421 OD2 ASP A 55 9.469 10.585 -25.299 1.00 0.00 O
423
+ ATOM 422 N ASP A 56 8.341 6.205 -23.466 1.00 0.00 N
424
+ ATOM 423 CA ASP A 56 7.152 5.430 -23.124 1.00 0.00 C
425
+ ATOM 424 C ASP A 56 5.885 6.110 -23.639 1.00 0.00 C
426
+ ATOM 425 CB ASP A 56 7.062 5.225 -21.611 1.00 0.00 C
427
+ ATOM 426 O ASP A 56 5.029 5.463 -24.244 1.00 0.00 O
428
+ ATOM 427 CG ASP A 56 8.048 4.193 -21.092 1.00 0.00 C
429
+ ATOM 428 OD1 ASP A 56 8.686 3.495 -21.907 1.00 0.00 O
430
+ ATOM 429 OD2 ASP A 56 8.186 4.077 -19.854 1.00 0.00 O
431
+ ATOM 430 N LEU A 57 5.746 7.398 -23.422 1.00 0.00 N
432
+ ATOM 431 CA LEU A 57 4.524 8.076 -23.838 1.00 0.00 C
433
+ ATOM 432 C LEU A 57 4.449 8.176 -25.359 1.00 0.00 C
434
+ ATOM 433 CB LEU A 57 4.449 9.474 -23.218 1.00 0.00 C
435
+ ATOM 434 O LEU A 57 3.366 8.071 -25.939 1.00 0.00 O
436
+ ATOM 435 CG LEU A 57 3.175 10.272 -23.500 1.00 0.00 C
437
+ ATOM 436 CD1 LEU A 57 1.946 9.485 -23.055 1.00 0.00 C
438
+ ATOM 437 CD2 LEU A 57 3.228 11.628 -22.803 1.00 0.00 C
439
+ ATOM 438 N GLU A 58 5.576 8.403 -26.020 1.00 0.00 N
440
+ ATOM 439 CA GLU A 58 5.616 8.391 -27.479 1.00 0.00 C
441
+ ATOM 440 C GLU A 58 5.153 7.046 -28.033 1.00 0.00 C
442
+ ATOM 441 CB GLU A 58 7.026 8.710 -27.981 1.00 0.00 C
443
+ ATOM 442 O GLU A 58 4.429 6.995 -29.030 1.00 0.00 O
444
+ ATOM 443 CG GLU A 58 7.424 10.169 -27.812 1.00 0.00 C
445
+ ATOM 444 CD GLU A 58 8.868 10.446 -28.199 1.00 0.00 C
446
+ ATOM 445 OE1 GLU A 58 9.637 9.480 -28.406 1.00 0.00 O
447
+ ATOM 446 OE2 GLU A 58 9.233 11.639 -28.298 1.00 0.00 O
448
+ ATOM 447 N THR A 59 5.597 5.954 -27.362 1.00 0.00 N
449
+ ATOM 448 CA THR A 59 5.139 4.621 -27.741 1.00 0.00 C
450
+ ATOM 449 C THR A 59 3.622 4.515 -27.621 1.00 0.00 C
451
+ ATOM 450 CB THR A 59 5.803 3.536 -26.872 1.00 0.00 C
452
+ ATOM 451 O THR A 59 2.957 4.002 -28.524 1.00 0.00 O
453
+ ATOM 452 CG2 THR A 59 5.295 2.147 -27.245 1.00 0.00 C
454
+ ATOM 453 OG1 THR A 59 7.223 3.580 -27.063 1.00 0.00 O
455
+ ATOM 454 N ALA A 60 3.098 5.037 -26.459 1.00 0.00 N
456
+ ATOM 455 CA ALA A 60 1.659 4.952 -26.226 1.00 0.00 C
457
+ ATOM 456 C ALA A 60 0.884 5.707 -27.302 1.00 0.00 C
458
+ ATOM 457 CB ALA A 60 1.312 5.497 -24.843 1.00 0.00 C
459
+ ATOM 458 O ALA A 60 -0.117 5.207 -27.819 1.00 0.00 O
460
+ ATOM 459 N LEU A 61 1.351 6.887 -27.671 1.00 0.00 N
461
+ ATOM 460 CA LEU A 61 0.684 7.704 -28.678 1.00 0.00 C
462
+ ATOM 461 C LEU A 61 0.793 7.065 -30.058 1.00 0.00 C
463
+ ATOM 462 CB LEU A 61 1.283 9.113 -28.706 1.00 0.00 C
464
+ ATOM 463 O LEU A 61 -0.189 7.016 -30.803 1.00 0.00 O
465
+ ATOM 464 CG LEU A 61 0.944 10.018 -27.520 1.00 0.00 C
466
+ ATOM 465 CD1 LEU A 61 1.814 11.270 -27.544 1.00 0.00 C
467
+ ATOM 466 CD2 LEU A 61 -0.535 10.389 -27.536 1.00 0.00 C
468
+ ATOM 467 N ARG A 62 1.947 6.549 -30.396 1.00 0.00 N
469
+ ATOM 468 CA ARG A 62 2.133 5.878 -31.678 1.00 0.00 C
470
+ ATOM 469 C ARG A 62 1.236 4.649 -31.789 1.00 0.00 C
471
+ ATOM 470 CB ARG A 62 3.597 5.476 -31.867 1.00 0.00 C
472
+ ATOM 471 O ARG A 62 0.565 4.454 -32.803 1.00 0.00 O
473
+ ATOM 472 CG ARG A 62 3.866 4.714 -33.155 1.00 0.00 C
474
+ ATOM 473 CD ARG A 62 5.317 4.264 -33.253 1.00 0.00 C
475
+ ATOM 474 NE ARG A 62 5.703 3.440 -32.111 1.00 0.00 N
476
+ ATOM 475 NH1 ARG A 62 4.462 1.601 -32.754 1.00 0.00 N
477
+ ATOM 476 NH2 ARG A 62 5.703 1.535 -30.828 1.00 0.00 N
478
+ ATOM 477 CZ ARG A 62 5.289 2.194 -31.900 1.00 0.00 C
479
+ ATOM 478 N ALA A 63 1.250 3.822 -30.719 1.00 0.00 N
480
+ ATOM 479 CA ALA A 63 0.433 2.610 -30.720 1.00 0.00 C
481
+ ATOM 480 C ALA A 63 -1.049 2.949 -30.845 1.00 0.00 C
482
+ ATOM 481 CB ALA A 63 0.685 1.797 -29.453 1.00 0.00 C
483
+ ATOM 482 O ALA A 63 -1.801 2.235 -31.515 1.00 0.00 O
484
+ ATOM 483 N THR A 64 -1.486 4.012 -30.212 1.00 0.00 N
485
+ ATOM 484 CA THR A 64 -2.878 4.436 -30.305 1.00 0.00 C
486
+ ATOM 485 C THR A 64 -3.228 4.835 -31.736 1.00 0.00 C
487
+ ATOM 486 CB THR A 64 -3.170 5.611 -29.354 1.00 0.00 C
488
+ ATOM 487 O THR A 64 -4.281 4.456 -32.252 1.00 0.00 O
489
+ ATOM 488 CG2 THR A 64 -4.600 6.113 -29.522 1.00 0.00 C
490
+ ATOM 489 OG1 THR A 64 -2.982 5.182 -28.000 1.00 0.00 O
491
+ ATOM 490 N GLN A 65 -2.384 5.573 -32.365 1.00 0.00 N
492
+ ATOM 491 CA GLN A 65 -2.619 5.946 -33.755 1.00 0.00 C
493
+ ATOM 492 C GLN A 65 -2.652 4.715 -34.656 1.00 0.00 C
494
+ ATOM 493 CB GLN A 65 -1.545 6.921 -34.239 1.00 0.00 C
495
+ ATOM 494 O GLN A 65 -3.528 4.591 -35.515 1.00 0.00 O
496
+ ATOM 495 CG GLN A 65 -1.772 7.432 -35.656 1.00 0.00 C
497
+ ATOM 496 CD GLN A 65 -0.674 8.368 -36.125 1.00 0.00 C
498
+ ATOM 497 NE2 GLN A 65 -0.916 9.057 -37.235 1.00 0.00 N
499
+ ATOM 498 OE1 GLN A 65 0.383 8.472 -35.494 1.00 0.00 O
500
+ ATOM 499 N GLU A 66 -1.815 3.775 -34.474 1.00 0.00 N
501
+ ATOM 500 CA GLU A 66 -1.717 2.591 -35.322 1.00 0.00 C
502
+ ATOM 501 C GLU A 66 -2.931 1.683 -35.144 1.00 0.00 C
503
+ ATOM 502 CB GLU A 66 -0.432 1.816 -35.016 1.00 0.00 C
504
+ ATOM 503 O GLU A 66 -3.451 1.136 -36.119 1.00 0.00 O
505
+ ATOM 504 CG GLU A 66 0.834 2.513 -35.494 1.00 0.00 C
506
+ ATOM 505 CD GLU A 66 2.107 1.783 -35.095 1.00 0.00 C
507
+ ATOM 506 OE1 GLU A 66 2.026 0.792 -34.335 1.00 0.00 O
508
+ ATOM 507 OE2 GLU A 66 3.194 2.208 -35.546 1.00 0.00 O
509
+ ATOM 508 N GLU A 67 -3.355 1.566 -33.829 1.00 0.00 N
510
+ ATOM 509 CA GLU A 67 -4.364 0.551 -33.543 1.00 0.00 C
511
+ ATOM 510 C GLU A 67 -5.772 1.133 -33.630 1.00 0.00 C
512
+ ATOM 511 CB GLU A 67 -4.134 -0.062 -32.159 1.00 0.00 C
513
+ ATOM 512 O GLU A 67 -6.724 0.423 -33.963 1.00 0.00 O
514
+ ATOM 513 CG GLU A 67 -2.871 -0.906 -32.063 1.00 0.00 C
515
+ ATOM 514 CD GLU A 67 -2.752 -1.661 -30.749 1.00 0.00 C
516
+ ATOM 515 OE1 GLU A 67 -3.616 -1.476 -29.862 1.00 0.00 O
517
+ ATOM 516 OE2 GLU A 67 -1.788 -2.446 -30.606 1.00 0.00 O
518
+ ATOM 517 N ALA A 68 -5.923 2.425 -33.305 1.00 0.00 N
519
+ ATOM 518 CA ALA A 68 -7.258 3.002 -33.184 1.00 0.00 C
520
+ ATOM 519 C ALA A 68 -7.431 4.189 -34.128 1.00 0.00 C
521
+ ATOM 520 CB ALA A 68 -7.524 3.431 -31.742 1.00 0.00 C
522
+ ATOM 521 O ALA A 68 -8.525 4.745 -34.244 1.00 0.00 O
523
+ ATOM 522 N GLY A 69 -6.331 4.648 -34.725 1.00 0.00 N
524
+ ATOM 523 CA GLY A 69 -6.417 5.726 -35.697 1.00 0.00 C
525
+ ATOM 524 C GLY A 69 -6.572 7.093 -35.060 1.00 0.00 C
526
+ ATOM 525 O GLY A 69 -6.895 8.069 -35.741 1.00 0.00 O
527
+ ATOM 526 N ILE A 70 -6.364 7.171 -33.793 1.00 0.00 N
528
+ ATOM 527 CA ILE A 70 -6.471 8.444 -33.088 1.00 0.00 C
529
+ ATOM 528 C ILE A 70 -5.100 9.110 -33.012 1.00 0.00 C
530
+ ATOM 529 CB ILE A 70 -7.055 8.256 -31.669 1.00 0.00 C
531
+ ATOM 530 O ILE A 70 -4.164 8.553 -32.431 1.00 0.00 O
532
+ ATOM 531 CG1 ILE A 70 -8.362 7.457 -31.731 1.00 0.00 C
533
+ ATOM 532 CG2 ILE A 70 -7.274 9.612 -30.991 1.00 0.00 C
534
+ ATOM 533 CD1 ILE A 70 -8.905 7.052 -30.368 1.00 0.00 C
535
+ ATOM 534 N GLU A 71 -4.993 10.246 -33.509 1.00 0.00 N
536
+ ATOM 535 CA GLU A 71 -3.738 10.992 -33.539 1.00 0.00 C
537
+ ATOM 536 C GLU A 71 -3.505 11.733 -32.225 1.00 0.00 C
538
+ ATOM 537 CB GLU A 71 -3.727 11.980 -34.708 1.00 0.00 C
539
+ ATOM 538 O GLU A 71 -4.458 12.062 -31.515 1.00 0.00 O
540
+ ATOM 539 CG GLU A 71 -3.790 11.315 -36.076 1.00 0.00 C
541
+ ATOM 540 CD GLU A 71 -3.748 12.308 -37.227 1.00 0.00 C
542
+ ATOM 541 OE1 GLU A 71 -3.731 13.533 -36.972 1.00 0.00 O
543
+ ATOM 542 OE2 GLU A 71 -3.734 11.855 -38.394 1.00 0.00 O
544
+ ATOM 543 N ALA A 72 -2.256 12.006 -31.971 1.00 0.00 N
545
+ ATOM 544 CA ALA A 72 -1.884 12.676 -30.727 1.00 0.00 C
546
+ ATOM 545 C ALA A 72 -2.640 13.991 -30.565 1.00 0.00 C
547
+ ATOM 546 CB ALA A 72 -0.378 12.923 -30.687 1.00 0.00 C
548
+ ATOM 547 O ALA A 72 -3.058 14.342 -29.459 1.00 0.00 O
549
+ ATOM 548 N GLY A 73 -2.857 14.765 -31.619 1.00 0.00 N
550
+ ATOM 549 CA GLY A 73 -3.528 16.056 -31.575 1.00 0.00 C
551
+ ATOM 550 C GLY A 73 -5.001 15.950 -31.230 1.00 0.00 C
552
+ ATOM 551 O GLY A 73 -5.643 16.953 -30.911 1.00 0.00 O
553
+ ATOM 552 N GLN A 74 -5.533 14.801 -31.256 1.00 0.00 N
554
+ ATOM 553 CA GLN A 74 -6.941 14.555 -30.967 1.00 0.00 C
555
+ ATOM 554 C GLN A 74 -7.140 14.135 -29.514 1.00 0.00 C
556
+ ATOM 555 CB GLN A 74 -7.504 13.485 -31.904 1.00 0.00 C
557
+ ATOM 556 O GLN A 74 -8.261 13.833 -29.097 1.00 0.00 O
558
+ ATOM 557 CG GLN A 74 -7.448 13.868 -33.377 1.00 0.00 C
559
+ ATOM 558 CD GLN A 74 -7.951 12.765 -34.290 1.00 0.00 C
560
+ ATOM 559 NE2 GLN A 74 -9.220 12.847 -34.675 1.00 0.00 N
561
+ ATOM 560 OE1 GLN A 74 -7.206 11.847 -34.646 1.00 0.00 O
562
+ ATOM 561 N LEU A 75 -6.024 14.119 -28.730 1.00 0.00 N
563
+ ATOM 562 CA LEU A 75 -6.052 13.609 -27.364 1.00 0.00 C
564
+ ATOM 563 C LEU A 75 -5.552 14.662 -26.380 1.00 0.00 C
565
+ ATOM 564 CB LEU A 75 -5.203 12.341 -27.248 1.00 0.00 C
566
+ ATOM 565 O LEU A 75 -4.733 15.512 -26.737 1.00 0.00 O
567
+ ATOM 566 CG LEU A 75 -5.712 11.113 -28.005 1.00 0.00 C
568
+ ATOM 567 CD1 LEU A 75 -4.599 10.079 -28.147 1.00 0.00 C
569
+ ATOM 568 CD2 LEU A 75 -6.921 10.511 -27.299 1.00 0.00 C
570
+ ATOM 569 N THR A 76 -6.027 14.610 -25.237 1.00 0.00 N
571
+ ATOM 570 CA THR A 76 -5.474 15.313 -24.084 1.00 0.00 C
572
+ ATOM 571 C THR A 76 -4.992 14.322 -23.028 1.00 0.00 C
573
+ ATOM 572 CB THR A 76 -6.510 16.267 -23.461 1.00 0.00 C
574
+ ATOM 573 O THR A 76 -5.789 13.567 -22.467 1.00 0.00 O
575
+ ATOM 574 CG2 THR A 76 -5.923 17.013 -22.268 1.00 0.00 C
576
+ ATOM 575 OG1 THR A 76 -6.926 17.220 -24.448 1.00 0.00 O
577
+ ATOM 576 N ILE A 77 -3.744 14.311 -22.812 1.00 0.00 N
578
+ ATOM 577 CA ILE A 77 -3.180 13.445 -21.783 1.00 0.00 C
579
+ ATOM 578 C ILE A 77 -3.521 13.995 -20.400 1.00 0.00 C
580
+ ATOM 579 CB ILE A 77 -1.649 13.304 -21.940 1.00 0.00 C
581
+ ATOM 580 O ILE A 77 -3.322 15.181 -20.130 1.00 0.00 O
582
+ ATOM 581 CG1 ILE A 77 -1.301 12.796 -23.345 1.00 0.00 C
583
+ ATOM 582 CG2 ILE A 77 -1.079 12.375 -20.865 1.00 0.00 C
584
+ ATOM 583 CD1 ILE A 77 -1.842 11.407 -23.652 1.00 0.00 C
585
+ ATOM 584 N ILE A 78 -4.070 13.117 -19.574 1.00 0.00 N
586
+ ATOM 585 CA ILE A 78 -4.404 13.530 -18.215 1.00 0.00 C
587
+ ATOM 586 C ILE A 78 -3.164 13.443 -17.329 1.00 0.00 C
588
+ ATOM 587 CB ILE A 78 -5.543 12.667 -17.628 1.00 0.00 C
589
+ ATOM 588 O ILE A 78 -2.644 12.352 -17.082 1.00 0.00 O
590
+ ATOM 589 CG1 ILE A 78 -6.754 12.667 -18.568 1.00 0.00 C
591
+ ATOM 590 CG2 ILE A 78 -5.934 13.167 -16.233 1.00 0.00 C
592
+ ATOM 591 CD1 ILE A 78 -7.333 14.051 -18.830 1.00 0.00 C
593
+ ATOM 592 N GLU A 79 -2.723 14.585 -16.767 1.00 0.00 N
594
+ ATOM 593 CA GLU A 79 -1.553 14.609 -15.894 1.00 0.00 C
595
+ ATOM 594 C GLU A 79 -1.874 14.016 -14.525 1.00 0.00 C
596
+ ATOM 595 CB GLU A 79 -1.028 16.038 -15.738 1.00 0.00 C
597
+ ATOM 596 O GLU A 79 -2.983 14.186 -14.013 1.00 0.00 O
598
+ ATOM 597 CG GLU A 79 -0.501 16.646 -17.031 1.00 0.00 C
599
+ ATOM 598 CD GLU A 79 0.133 18.013 -16.837 1.00 0.00 C
600
+ ATOM 599 OE1 GLU A 79 0.090 18.546 -15.705 1.00 0.00 O
601
+ ATOM 600 OE2 GLU A 79 0.676 18.556 -17.823 1.00 0.00 O
602
+ ATOM 601 N GLY A 80 -0.865 13.257 -14.072 1.00 0.00 N
603
+ ATOM 602 CA GLY A 80 -0.984 12.791 -12.699 1.00 0.00 C
604
+ ATOM 603 C GLY A 80 -1.421 11.341 -12.598 1.00 0.00 C
605
+ ATOM 604 O GLY A 80 -1.556 10.804 -11.497 1.00 0.00 O
606
+ ATOM 605 N PHE A 81 -1.736 10.715 -13.734 1.00 0.00 N
607
+ ATOM 606 CA PHE A 81 -2.110 9.306 -13.694 1.00 0.00 C
608
+ ATOM 607 C PHE A 81 -1.195 8.477 -14.587 1.00 0.00 C
609
+ ATOM 608 CB PHE A 81 -3.569 9.123 -14.123 1.00 0.00 C
610
+ ATOM 609 O PHE A 81 -0.997 8.806 -15.758 1.00 0.00 O
611
+ ATOM 610 CG PHE A 81 -4.060 7.705 -14.015 1.00 0.00 C
612
+ ATOM 611 CD1 PHE A 81 -4.722 7.269 -12.874 1.00 0.00 C
613
+ ATOM 612 CD2 PHE A 81 -3.860 6.807 -15.056 1.00 0.00 C
614
+ ATOM 613 CE1 PHE A 81 -5.178 5.956 -12.771 1.00 0.00 C
615
+ ATOM 614 CE2 PHE A 81 -4.312 5.494 -14.960 1.00 0.00 C
616
+ ATOM 615 CZ PHE A 81 -4.970 5.071 -13.817 1.00 0.00 C
617
+ ATOM 616 N LYS A 82 -0.676 7.525 -14.041 1.00 0.00 N
618
+ ATOM 617 CA LYS A 82 0.120 6.506 -14.718 1.00 0.00 C
619
+ ATOM 618 C LYS A 82 0.053 5.174 -13.977 1.00 0.00 C
620
+ ATOM 619 CB LYS A 82 1.575 6.960 -14.850 1.00 0.00 C
621
+ ATOM 620 O LYS A 82 0.196 5.131 -12.753 1.00 0.00 O
622
+ ATOM 621 CG LYS A 82 2.451 6.007 -15.648 1.00 0.00 C
623
+ ATOM 622 CD LYS A 82 3.885 6.512 -15.742 1.00 0.00 C
624
+ ATOM 623 CE LYS A 82 4.804 5.474 -16.374 1.00 0.00 C
625
+ ATOM 624 NZ LYS A 82 6.206 5.974 -16.492 1.00 0.00 N
626
+ ATOM 625 N ARG A 83 -0.212 4.191 -14.754 1.00 0.00 N
627
+ ATOM 626 CA ARG A 83 -0.337 2.879 -14.128 1.00 0.00 C
628
+ ATOM 627 C ARG A 83 0.495 1.837 -14.868 1.00 0.00 C
629
+ ATOM 628 CB ARG A 83 -1.804 2.443 -14.082 1.00 0.00 C
630
+ ATOM 629 O ARG A 83 0.417 1.729 -16.093 1.00 0.00 O
631
+ ATOM 630 CG ARG A 83 -2.059 1.231 -13.200 1.00 0.00 C
632
+ ATOM 631 CD ARG A 83 -1.738 1.519 -11.740 1.00 0.00 C
633
+ ATOM 632 NE ARG A 83 -1.913 0.333 -10.906 1.00 0.00 N
634
+ ATOM 633 NH1 ARG A 83 -2.066 1.501 -8.918 1.00 0.00 N
635
+ ATOM 634 NH2 ARG A 83 -2.215 -0.786 -8.924 1.00 0.00 N
636
+ ATOM 635 CZ ARG A 83 -2.064 0.352 -9.584 1.00 0.00 C
637
+ ATOM 636 N GLU A 84 1.230 1.122 -14.065 1.00 0.00 N
638
+ ATOM 637 CA GLU A 84 2.022 0.016 -14.593 1.00 0.00 C
639
+ ATOM 638 C GLU A 84 1.372 -1.328 -14.278 1.00 0.00 C
640
+ ATOM 639 CB GLU A 84 3.445 0.056 -14.029 1.00 0.00 C
641
+ ATOM 640 O GLU A 84 1.009 -1.595 -13.130 1.00 0.00 O
642
+ ATOM 641 CG GLU A 84 4.381 -0.972 -14.647 1.00 0.00 C
643
+ ATOM 642 CD GLU A 84 5.810 -0.867 -14.135 1.00 0.00 C
644
+ ATOM 643 OE1 GLU A 84 6.544 0.049 -14.569 1.00 0.00 O
645
+ ATOM 644 OE2 GLU A 84 6.196 -1.710 -13.295 1.00 0.00 O
646
+ ATOM 645 N LEU A 85 1.208 -2.121 -15.315 1.00 0.00 N
647
+ ATOM 646 CA LEU A 85 0.706 -3.484 -15.182 1.00 0.00 C
648
+ ATOM 647 C LEU A 85 1.820 -4.499 -15.412 1.00 0.00 C
649
+ ATOM 648 CB LEU A 85 -0.438 -3.732 -16.170 1.00 0.00 C
650
+ ATOM 649 O LEU A 85 2.597 -4.370 -16.359 1.00 0.00 O
651
+ ATOM 650 CG LEU A 85 -1.600 -2.737 -16.126 1.00 0.00 C
652
+ ATOM 651 CD1 LEU A 85 -2.635 -3.085 -17.190 1.00 0.00 C
653
+ ATOM 652 CD2 LEU A 85 -2.235 -2.718 -14.740 1.00 0.00 C
654
+ ATOM 653 N ASN A 86 1.896 -5.413 -14.500 1.00 0.00 N
655
+ ATOM 654 CA ASN A 86 2.839 -6.519 -14.634 1.00 0.00 C
656
+ ATOM 655 C ASN A 86 2.123 -7.868 -14.645 1.00 0.00 C
657
+ ATOM 656 CB ASN A 86 3.878 -6.478 -13.512 1.00 0.00 C
658
+ ATOM 657 O ASN A 86 1.297 -8.143 -13.772 1.00 0.00 O
659
+ ATOM 658 CG ASN A 86 4.707 -5.210 -13.530 1.00 0.00 C
660
+ ATOM 659 ND2 ASN A 86 4.458 -4.324 -12.572 1.00 0.00 N
661
+ ATOM 660 OD1 ASN A 86 5.564 -5.027 -14.399 1.00 0.00 O
662
+ ATOM 661 N TYR A 87 2.334 -8.574 -15.708 1.00 0.00 N
663
+ ATOM 662 CA TYR A 87 1.732 -9.900 -15.804 1.00 0.00 C
664
+ ATOM 663 C TYR A 87 2.582 -10.823 -16.669 1.00 0.00 C
665
+ ATOM 664 CB TYR A 87 0.314 -9.808 -16.375 1.00 0.00 C
666
+ ATOM 665 O TYR A 87 3.575 -10.390 -17.260 1.00 0.00 O
667
+ ATOM 666 CG TYR A 87 0.246 -9.135 -17.724 1.00 0.00 C
668
+ ATOM 667 CD1 TYR A 87 0.098 -7.753 -17.828 1.00 0.00 C
669
+ ATOM 668 CD2 TYR A 87 0.328 -9.877 -18.897 1.00 0.00 C
670
+ ATOM 669 CE1 TYR A 87 0.033 -7.127 -19.069 1.00 0.00 C
671
+ ATOM 670 CE2 TYR A 87 0.263 -9.261 -20.143 1.00 0.00 C
672
+ ATOM 671 OH TYR A 87 0.052 -7.276 -21.450 1.00 0.00 O
673
+ ATOM 672 CZ TYR A 87 0.116 -7.889 -20.219 1.00 0.00 C
674
+ ATOM 673 N VAL A 88 2.260 -12.071 -16.635 1.00 0.00 N
675
+ ATOM 674 CA VAL A 88 2.947 -13.068 -17.448 1.00 0.00 C
676
+ ATOM 675 C VAL A 88 2.042 -13.513 -18.595 1.00 0.00 C
677
+ ATOM 676 CB VAL A 88 3.379 -14.289 -16.605 1.00 0.00 C
678
+ ATOM 677 O VAL A 88 0.891 -13.897 -18.373 1.00 0.00 O
679
+ ATOM 678 CG1 VAL A 88 4.040 -15.348 -17.486 1.00 0.00 C
680
+ ATOM 679 CG2 VAL A 88 4.321 -13.857 -15.484 1.00 0.00 C
681
+ ATOM 680 N ALA A 89 2.501 -13.388 -19.720 1.00 0.00 N
682
+ ATOM 681 CA ALA A 89 1.824 -13.871 -20.922 1.00 0.00 C
683
+ ATOM 682 C ALA A 89 2.780 -14.659 -21.812 1.00 0.00 C
684
+ ATOM 683 CB ALA A 89 1.222 -12.702 -21.698 1.00 0.00 C
685
+ ATOM 684 O ALA A 89 3.902 -14.218 -22.072 1.00 0.00 O
686
+ ATOM 685 N ARG A 90 2.232 -15.944 -22.263 1.00 0.00 N
687
+ ATOM 686 CA ARG A 90 3.005 -16.855 -23.101 1.00 0.00 C
688
+ ATOM 687 C ARG A 90 4.364 -17.155 -22.476 1.00 0.00 C
689
+ ATOM 688 CB ARG A 90 3.191 -16.270 -24.503 1.00 0.00 C
690
+ ATOM 689 O ARG A 90 5.387 -17.143 -23.164 1.00 0.00 O
691
+ ATOM 690 CG ARG A 90 1.890 -16.063 -25.262 1.00 0.00 C
692
+ ATOM 691 CD ARG A 90 2.134 -15.496 -26.654 1.00 0.00 C
693
+ ATOM 692 NE ARG A 90 0.882 -15.291 -27.377 1.00 0.00 N
694
+ ATOM 693 NH1 ARG A 90 1.889 -14.591 -29.335 1.00 0.00 N
695
+ ATOM 694 NH2 ARG A 90 -0.395 -14.711 -29.196 1.00 0.00 N
696
+ ATOM 695 CZ ARG A 90 0.795 -14.865 -28.634 1.00 0.00 C
697
+ ATOM 696 N ASN A 91 4.480 -17.242 -21.225 1.00 0.00 N
698
+ ATOM 697 CA ASN A 91 5.621 -17.605 -20.392 1.00 0.00 C
699
+ ATOM 698 C ASN A 91 6.677 -16.505 -20.374 1.00 0.00 C
700
+ ATOM 699 CB ASN A 91 6.236 -18.924 -20.869 1.00 0.00 C
701
+ ATOM 700 O ASN A 91 7.857 -16.774 -20.145 1.00 0.00 O
702
+ ATOM 701 CG ASN A 91 5.373 -20.125 -20.537 1.00 0.00 C
703
+ ATOM 702 ND2 ASN A 91 5.626 -21.240 -21.211 1.00 0.00 N
704
+ ATOM 703 OD1 ASN A 91 4.484 -20.050 -19.684 1.00 0.00 O
705
+ ATOM 704 N LYS A 92 6.253 -15.341 -20.717 1.00 0.00 N
706
+ ATOM 705 CA LYS A 92 7.143 -14.184 -20.677 1.00 0.00 C
707
+ ATOM 706 C LYS A 92 6.573 -13.083 -19.788 1.00 0.00 C
708
+ ATOM 707 CB LYS A 92 7.387 -13.645 -22.088 1.00 0.00 C
709
+ ATOM 708 O LYS A 92 5.375 -12.793 -19.840 1.00 0.00 O
710
+ ATOM 709 CG LYS A 92 8.090 -14.629 -23.012 1.00 0.00 C
711
+ ATOM 710 CD LYS A 92 8.340 -14.021 -24.386 1.00 0.00 C
712
+ ATOM 711 CE LYS A 92 8.988 -15.023 -25.332 1.00 0.00 C
713
+ ATOM 712 NZ LYS A 92 9.290 -14.416 -26.663 1.00 0.00 N
714
+ ATOM 713 N PRO A 93 7.429 -12.588 -18.966 1.00 0.00 N
715
+ ATOM 714 CA PRO A 93 6.976 -11.422 -18.202 1.00 0.00 C
716
+ ATOM 715 C PRO A 93 6.723 -10.202 -19.083 1.00 0.00 C
717
+ ATOM 716 CB PRO A 93 8.132 -11.166 -17.233 1.00 0.00 C
718
+ ATOM 717 O PRO A 93 7.509 -9.916 -19.990 1.00 0.00 O
719
+ ATOM 718 CG PRO A 93 9.336 -11.727 -17.917 1.00 0.00 C
720
+ ATOM 719 CD PRO A 93 8.904 -12.888 -18.766 1.00 0.00 C
721
+ ATOM 720 N LYS A 94 5.602 -9.608 -18.845 1.00 0.00 N
722
+ ATOM 721 CA LYS A 94 5.221 -8.405 -19.577 1.00 0.00 C
723
+ ATOM 722 C LYS A 94 4.960 -7.241 -18.625 1.00 0.00 C
724
+ ATOM 723 CB LYS A 94 3.983 -8.667 -20.436 1.00 0.00 C
725
+ ATOM 724 O LYS A 94 4.384 -7.428 -17.552 1.00 0.00 O
726
+ ATOM 725 CG LYS A 94 4.197 -9.702 -21.530 1.00 0.00 C
727
+ ATOM 726 CD LYS A 94 3.005 -9.771 -22.476 1.00 0.00 C
728
+ ATOM 727 CE LYS A 94 3.241 -10.767 -23.603 1.00 0.00 C
729
+ ATOM 728 NZ LYS A 94 2.162 -10.703 -24.634 1.00 0.00 N
730
+ ATOM 729 N THR A 95 5.427 -6.090 -18.977 1.00 0.00 N
731
+ ATOM 730 CA THR A 95 5.136 -4.828 -18.305 1.00 0.00 C
732
+ ATOM 731 C THR A 95 4.480 -3.841 -19.267 1.00 0.00 C
733
+ ATOM 732 CB THR A 95 6.414 -4.201 -17.716 1.00 0.00 C
734
+ ATOM 733 O THR A 95 5.012 -3.571 -20.345 1.00 0.00 O
735
+ ATOM 734 CG2 THR A 95 6.107 -2.885 -17.011 1.00 0.00 C
736
+ ATOM 735 OG1 THR A 95 6.994 -5.112 -16.774 1.00 0.00 O
737
+ ATOM 736 N VAL A 96 3.372 -3.371 -18.874 1.00 0.00 N
738
+ ATOM 737 CA VAL A 96 2.653 -2.396 -19.688 1.00 0.00 C
739
+ ATOM 738 C VAL A 96 2.382 -1.137 -18.867 1.00 0.00 C
740
+ ATOM 739 CB VAL A 96 1.326 -2.975 -20.229 1.00 0.00 C
741
+ ATOM 740 O VAL A 96 1.908 -1.218 -17.732 1.00 0.00 O
742
+ ATOM 741 CG1 VAL A 96 0.652 -1.986 -21.177 1.00 0.00 C
743
+ ATOM 742 CG2 VAL A 96 1.574 -4.309 -20.930 1.00 0.00 C
744
+ ATOM 743 N ILE A 97 2.668 -0.011 -19.395 1.00 0.00 N
745
+ ATOM 744 CA ILE A 97 2.375 1.267 -18.755 1.00 0.00 C
746
+ ATOM 745 C ILE A 97 1.224 1.957 -19.485 1.00 0.00 C
747
+ ATOM 746 CB ILE A 97 3.618 2.184 -18.727 1.00 0.00 C
748
+ ATOM 747 O ILE A 97 1.226 2.048 -20.715 1.00 0.00 O
749
+ ATOM 748 CG1 ILE A 97 4.762 1.508 -17.962 1.00 0.00 C
750
+ ATOM 749 CG2 ILE A 97 3.273 3.542 -18.109 1.00 0.00 C
751
+ ATOM 750 CD1 ILE A 97 6.088 2.251 -18.049 1.00 0.00 C
752
+ ATOM 751 N TYR A 98 0.284 2.492 -18.671 1.00 0.00 N
753
+ ATOM 752 CA TYR A 98 -0.872 3.190 -19.222 1.00 0.00 C
754
+ ATOM 753 C TYR A 98 -0.966 4.608 -18.673 1.00 0.00 C
755
+ ATOM 754 CB TYR A 98 -2.161 2.423 -18.911 1.00 0.00 C
756
+ ATOM 755 O TYR A 98 -0.736 4.836 -17.483 1.00 0.00 O
757
+ ATOM 756 CG TYR A 98 -2.374 1.212 -19.786 1.00 0.00 C
758
+ ATOM 757 CD1 TYR A 98 -2.938 1.334 -21.053 1.00 0.00 C
759
+ ATOM 758 CD2 TYR A 98 -2.010 -0.057 -19.347 1.00 0.00 C
760
+ ATOM 759 CE1 TYR A 98 -3.137 0.219 -21.863 1.00 0.00 C
761
+ ATOM 760 CE2 TYR A 98 -2.205 -1.178 -20.148 1.00 0.00 C
762
+ ATOM 761 OH TYR A 98 -2.962 -2.136 -22.198 1.00 0.00 O
763
+ ATOM 762 CZ TYR A 98 -2.768 -1.030 -21.402 1.00 0.00 C
764
+ ATOM 763 N TRP A 99 -1.304 5.527 -19.529 1.00 0.00 N
765
+ ATOM 764 CA TRP A 99 -1.765 6.863 -19.164 1.00 0.00 C
766
+ ATOM 765 C TRP A 99 -3.241 7.041 -19.499 1.00 0.00 C
767
+ ATOM 766 CB TRP A 99 -0.933 7.933 -19.878 1.00 0.00 C
768
+ ATOM 767 O TRP A 99 -3.786 6.316 -20.336 1.00 0.00 O
769
+ ATOM 768 CG TRP A 99 0.504 7.972 -19.453 1.00 0.00 C
770
+ ATOM 769 CD1 TRP A 99 1.074 8.828 -18.553 1.00 0.00 C
771
+ ATOM 770 CD2 TRP A 99 1.555 7.119 -19.918 1.00 0.00 C
772
+ ATOM 771 CE2 TRP A 99 2.737 7.514 -19.255 1.00 0.00 C
773
+ ATOM 772 CE3 TRP A 99 1.611 6.056 -20.830 1.00 0.00 C
774
+ ATOM 773 NE1 TRP A 99 2.418 8.557 -18.429 1.00 0.00 N
775
+ ATOM 774 CH2 TRP A 99 3.991 5.847 -20.374 1.00 0.00 C
776
+ ATOM 775 CZ2 TRP A 99 3.964 6.883 -19.476 1.00 0.00 C
777
+ ATOM 776 CZ3 TRP A 99 2.832 5.430 -21.050 1.00 0.00 C
778
+ ATOM 777 N LEU A 100 -3.814 7.987 -18.861 1.00 0.00 N
779
+ ATOM 778 CA LEU A 100 -5.165 8.397 -19.228 1.00 0.00 C
780
+ ATOM 779 C LEU A 100 -5.131 9.477 -20.305 1.00 0.00 C
781
+ ATOM 780 CB LEU A 100 -5.921 8.908 -17.999 1.00 0.00 C
782
+ ATOM 781 O LEU A 100 -4.319 10.402 -20.237 1.00 0.00 O
783
+ ATOM 782 CG LEU A 100 -6.445 7.844 -17.033 1.00 0.00 C
784
+ ATOM 783 CD1 LEU A 100 -6.928 8.493 -15.741 1.00 0.00 C
785
+ ATOM 784 CD2 LEU A 100 -7.563 7.037 -17.683 1.00 0.00 C
786
+ ATOM 785 N ALA A 101 -6.017 9.348 -21.263 1.00 0.00 N
787
+ ATOM 786 CA ALA A 101 -6.144 10.379 -22.290 1.00 0.00 C
788
+ ATOM 787 C ALA A 101 -7.604 10.580 -22.688 1.00 0.00 C
789
+ ATOM 788 CB ALA A 101 -5.306 10.018 -23.514 1.00 0.00 C
790
+ ATOM 789 O ALA A 101 -8.335 9.609 -22.900 1.00 0.00 O
791
+ ATOM 790 N GLU A 102 -7.986 11.790 -22.854 1.00 0.00 N
792
+ ATOM 791 CA GLU A 102 -9.338 12.128 -23.283 1.00 0.00 C
793
+ ATOM 792 C GLU A 102 -9.369 12.511 -24.760 1.00 0.00 C
794
+ ATOM 793 CB GLU A 102 -9.905 13.267 -22.432 1.00 0.00 C
795
+ ATOM 794 O GLU A 102 -8.526 13.281 -25.224 1.00 0.00 O
796
+ ATOM 795 CG GLU A 102 -11.359 13.598 -22.736 1.00 0.00 C
797
+ ATOM 796 CD GLU A 102 -11.955 14.619 -21.779 1.00 0.00 C
798
+ ATOM 797 OE1 GLU A 102 -11.189 15.279 -21.042 1.00 0.00 O
799
+ ATOM 798 OE2 GLU A 102 -13.198 14.759 -21.767 1.00 0.00 O
800
+ ATOM 799 N VAL A 103 -10.372 12.032 -25.428 1.00 0.00 N
801
+ ATOM 800 CA VAL A 103 -10.537 12.490 -26.804 1.00 0.00 C
802
+ ATOM 801 C VAL A 103 -11.098 13.910 -26.811 1.00 0.00 C
803
+ ATOM 802 CB VAL A 103 -11.458 11.548 -27.610 1.00 0.00 C
804
+ ATOM 803 O VAL A 103 -11.950 14.252 -25.987 1.00 0.00 O
805
+ ATOM 804 CG1 VAL A 103 -10.808 10.176 -27.784 1.00 0.00 C
806
+ ATOM 805 CG2 VAL A 103 -12.817 11.416 -26.925 1.00 0.00 C
807
+ ATOM 806 N LYS A 104 -10.667 14.736 -27.742 1.00 0.00 N
808
+ ATOM 807 CA LYS A 104 -11.111 16.124 -27.844 1.00 0.00 C
809
+ ATOM 808 C LYS A 104 -12.476 16.216 -28.519 1.00 0.00 C
810
+ ATOM 809 CB LYS A 104 -10.087 16.959 -28.614 1.00 0.00 C
811
+ ATOM 810 O LYS A 104 -13.267 17.111 -28.212 1.00 0.00 O
812
+ ATOM 811 CG LYS A 104 -8.773 17.164 -27.875 1.00 0.00 C
813
+ ATOM 812 CD LYS A 104 -7.791 17.988 -28.698 1.00 0.00 C
814
+ ATOM 813 CE LYS A 104 -6.492 18.230 -27.941 1.00 0.00 C
815
+ ATOM 814 NZ LYS A 104 -5.496 18.968 -28.773 1.00 0.00 N
816
+ ATOM 815 N ASP A 105 -12.701 15.281 -29.415 1.00 0.00 N
817
+ ATOM 816 CA ASP A 105 -13.975 15.186 -30.121 1.00 0.00 C
818
+ ATOM 817 C ASP A 105 -14.742 13.934 -29.702 1.00 0.00 C
819
+ ATOM 818 CB ASP A 105 -13.751 15.183 -31.635 1.00 0.00 C
820
+ ATOM 819 O ASP A 105 -14.230 12.818 -29.815 1.00 0.00 O
821
+ ATOM 820 CG ASP A 105 -15.035 15.367 -32.425 1.00 0.00 C
822
+ ATOM 821 OD1 ASP A 105 -16.130 15.130 -31.871 1.00 0.00 O
823
+ ATOM 822 OD2 ASP A 105 -14.950 15.750 -33.612 1.00 0.00 O
824
+ ATOM 823 N TYR A 106 -15.984 14.111 -29.256 1.00 0.00 N
825
+ ATOM 824 CA TYR A 106 -16.808 12.995 -28.807 1.00 0.00 C
826
+ ATOM 825 C TYR A 106 -16.973 11.959 -29.913 1.00 0.00 C
827
+ ATOM 826 CB TYR A 106 -18.183 13.492 -28.349 1.00 0.00 C
828
+ ATOM 827 O TYR A 106 -16.963 10.754 -29.649 1.00 0.00 O
829
+ ATOM 828 CG TYR A 106 -19.096 12.392 -27.864 1.00 0.00 C
830
+ ATOM 829 CD1 TYR A 106 -19.038 11.942 -26.547 1.00 0.00 C
831
+ ATOM 830 CD2 TYR A 106 -20.018 11.801 -28.722 1.00 0.00 C
832
+ ATOM 831 CE1 TYR A 106 -19.876 10.927 -26.096 1.00 0.00 C
833
+ ATOM 832 CE2 TYR A 106 -20.860 10.786 -28.281 1.00 0.00 C
834
+ ATOM 833 OH TYR A 106 -21.614 9.352 -26.528 1.00 0.00 O
835
+ ATOM 834 CZ TYR A 106 -20.783 10.357 -26.970 1.00 0.00 C
836
+ ATOM 835 N ASP A 107 -17.102 12.343 -31.089 1.00 0.00 N
837
+ ATOM 836 CA ASP A 107 -17.384 11.444 -32.204 1.00 0.00 C
838
+ ATOM 837 C ASP A 107 -16.116 11.141 -33.000 1.00 0.00 C
839
+ ATOM 838 CB ASP A 107 -18.449 12.046 -33.123 1.00 0.00 C
840
+ ATOM 839 O ASP A 107 -16.159 11.017 -34.225 1.00 0.00 O
841
+ ATOM 840 CG ASP A 107 -19.827 12.087 -32.487 1.00 0.00 C
842
+ ATOM 841 OD1 ASP A 107 -20.176 11.157 -31.727 1.00 0.00 O
843
+ ATOM 842 OD2 ASP A 107 -20.572 13.056 -32.748 1.00 0.00 O
844
+ ATOM 843 N VAL A 108 -14.973 11.102 -32.295 1.00 0.00 N
845
+ ATOM 844 CA VAL A 108 -13.723 10.776 -32.971 1.00 0.00 C
846
+ ATOM 845 C VAL A 108 -13.868 9.451 -33.716 1.00 0.00 C
847
+ ATOM 846 CB VAL A 108 -12.542 10.702 -31.977 1.00 0.00 C
848
+ ATOM 847 O VAL A 108 -14.481 8.510 -33.206 1.00 0.00 O
849
+ ATOM 848 CG1 VAL A 108 -12.681 9.485 -31.064 1.00 0.00 C
850
+ ATOM 849 CG2 VAL A 108 -11.214 10.662 -32.729 1.00 0.00 C
851
+ ATOM 850 N GLU A 109 -13.440 9.441 -34.910 1.00 0.00 N
852
+ ATOM 851 CA GLU A 109 -13.504 8.234 -35.729 1.00 0.00 C
853
+ ATOM 852 C GLU A 109 -12.455 7.215 -35.291 1.00 0.00 C
854
+ ATOM 853 CB GLU A 109 -13.317 8.578 -37.209 1.00 0.00 C
855
+ ATOM 854 O GLU A 109 -11.283 7.558 -35.118 1.00 0.00 O
856
+ ATOM 855 CG GLU A 109 -13.525 7.396 -38.145 1.00 0.00 C
857
+ ATOM 856 CD GLU A 109 -13.303 7.744 -39.608 1.00 0.00 C
858
+ ATOM 857 OE1 GLU A 109 -12.829 8.865 -39.901 1.00 0.00 O
859
+ ATOM 858 OE2 GLU A 109 -13.607 6.888 -40.469 1.00 0.00 O
860
+ ATOM 859 N ILE A 110 -12.943 5.942 -35.116 1.00 0.00 N
861
+ ATOM 860 CA ILE A 110 -12.030 4.853 -34.788 1.00 0.00 C
862
+ ATOM 861 C ILE A 110 -11.686 4.070 -36.053 1.00 0.00 C
863
+ ATOM 862 CB ILE A 110 -12.633 3.910 -33.722 1.00 0.00 C
864
+ ATOM 863 O ILE A 110 -12.579 3.621 -36.776 1.00 0.00 O
865
+ ATOM 864 CG1 ILE A 110 -13.114 4.716 -32.509 1.00 0.00 C
866
+ ATOM 865 CG2 ILE A 110 -11.617 2.845 -33.306 1.00 0.00 C
867
+ ATOM 866 CD1 ILE A 110 -12.036 5.585 -31.877 1.00 0.00 C
868
+ ATOM 867 N ARG A 111 -10.478 3.908 -36.292 1.00 0.00 N
869
+ ATOM 868 CA ARG A 111 -9.961 3.123 -37.408 1.00 0.00 C
870
+ ATOM 869 C ARG A 111 -9.060 1.995 -36.914 1.00 0.00 C
871
+ ATOM 870 CB ARG A 111 -9.194 4.016 -38.385 1.00 0.00 C
872
+ ATOM 871 O ARG A 111 -7.911 2.231 -36.538 1.00 0.00 O
873
+ ATOM 872 CG ARG A 111 -10.037 5.119 -39.004 1.00 0.00 C
874
+ ATOM 873 CD ARG A 111 -9.221 5.991 -39.948 1.00 0.00 C
875
+ ATOM 874 NE ARG A 111 -9.998 7.125 -40.441 1.00 0.00 N
876
+ ATOM 875 NH1 ARG A 111 -8.262 8.053 -41.651 1.00 0.00 N
877
+ ATOM 876 NH2 ARG A 111 -10.319 9.065 -41.627 1.00 0.00 N
878
+ ATOM 877 CZ ARG A 111 -9.524 8.078 -41.239 1.00 0.00 C
879
+ ATOM 878 N LEU A 112 -9.542 0.845 -37.013 1.00 0.00 N
880
+ ATOM 879 CA LEU A 112 -8.846 -0.303 -36.442 1.00 0.00 C
881
+ ATOM 880 C LEU A 112 -7.773 -0.817 -37.394 1.00 0.00 C
882
+ ATOM 881 CB LEU A 112 -9.837 -1.423 -36.116 1.00 0.00 C
883
+ ATOM 882 O LEU A 112 -7.967 -0.823 -38.611 1.00 0.00 O
884
+ ATOM 883 CG LEU A 112 -10.900 -1.105 -35.064 1.00 0.00 C
885
+ ATOM 884 CD1 LEU A 112 -11.896 -2.254 -34.952 1.00 0.00 C
886
+ ATOM 885 CD2 LEU A 112 -10.249 -0.822 -33.715 1.00 0.00 C
887
+ ATOM 886 N SER A 113 -6.711 -1.230 -36.840 1.00 0.00 N
888
+ ATOM 887 CA SER A 113 -5.728 -1.991 -37.605 1.00 0.00 C
889
+ ATOM 888 C SER A 113 -6.125 -3.460 -37.709 1.00 0.00 C
890
+ ATOM 889 CB SER A 113 -4.343 -1.873 -36.967 1.00 0.00 C
891
+ ATOM 890 O SER A 113 -7.100 -3.890 -37.089 1.00 0.00 O
892
+ ATOM 891 OG SER A 113 -4.273 -2.632 -35.772 1.00 0.00 O
893
+ ATOM 892 N HIS A 114 -5.348 -4.204 -38.453 1.00 0.00 N
894
+ ATOM 893 CA HIS A 114 -5.613 -5.626 -38.643 1.00 0.00 C
895
+ ATOM 894 C HIS A 114 -5.456 -6.395 -37.336 1.00 0.00 C
896
+ ATOM 895 CB HIS A 114 -4.682 -6.207 -39.709 1.00 0.00 C
897
+ ATOM 896 O HIS A 114 -5.866 -7.555 -37.239 1.00 0.00 O
898
+ ATOM 897 CG HIS A 114 -3.236 -6.166 -39.328 1.00 0.00 C
899
+ ATOM 898 CD2 HIS A 114 -2.431 -7.113 -38.791 1.00 0.00 C
900
+ ATOM 899 ND1 HIS A 114 -2.455 -5.042 -39.490 1.00 0.00 N
901
+ ATOM 900 CE1 HIS A 114 -1.228 -5.300 -39.068 1.00 0.00 C
902
+ ATOM 901 NE2 HIS A 114 -1.187 -6.550 -38.639 1.00 0.00 N
903
+ ATOM 902 N GLU A 115 -4.850 -5.757 -36.325 1.00 0.00 N
904
+ ATOM 903 CA GLU A 115 -4.642 -6.416 -35.039 1.00 0.00 C
905
+ ATOM 904 C GLU A 115 -5.940 -6.489 -34.241 1.00 0.00 C
906
+ ATOM 905 CB GLU A 115 -3.566 -5.689 -34.230 1.00 0.00 C
907
+ ATOM 906 O GLU A 115 -6.018 -7.197 -33.235 1.00 0.00 O
908
+ ATOM 907 CG GLU A 115 -2.180 -5.752 -34.853 1.00 0.00 C
909
+ ATOM 908 CD GLU A 115 -1.103 -5.117 -33.987 1.00 0.00 C
910
+ ATOM 909 OE1 GLU A 115 -1.443 -4.332 -33.073 1.00 0.00 O
911
+ ATOM 910 OE2 GLU A 115 0.091 -5.405 -34.225 1.00 0.00 O
912
+ ATOM 911 N HIS A 116 -6.919 -5.737 -34.679 1.00 0.00 N
913
+ ATOM 912 CA HIS A 116 -8.179 -5.660 -33.949 1.00 0.00 C
914
+ ATOM 913 C HIS A 116 -9.371 -5.806 -34.889 1.00 0.00 C
915
+ ATOM 914 CB HIS A 116 -8.274 -4.338 -33.183 1.00 0.00 C
916
+ ATOM 915 O HIS A 116 -9.297 -5.414 -36.056 1.00 0.00 O
917
+ ATOM 916 CG HIS A 116 -7.168 -4.137 -32.195 1.00 0.00 C
918
+ ATOM 917 CD2 HIS A 116 -7.038 -4.548 -30.911 1.00 0.00 C
919
+ ATOM 918 ND1 HIS A 116 -6.023 -3.432 -32.494 1.00 0.00 N
920
+ ATOM 919 CE1 HIS A 116 -5.233 -3.418 -31.433 1.00 0.00 C
921
+ ATOM 920 NE2 HIS A 116 -5.826 -4.088 -30.460 1.00 0.00 N
922
+ ATOM 921 N GLN A 117 -10.487 -6.295 -34.245 1.00 0.00 N
923
+ ATOM 922 CA GLN A 117 -11.621 -6.596 -35.113 1.00 0.00 C
924
+ ATOM 923 C GLN A 117 -12.856 -5.802 -34.699 1.00 0.00 C
925
+ ATOM 924 CB GLN A 117 -11.928 -8.094 -35.095 1.00 0.00 C
926
+ ATOM 925 O GLN A 117 -13.833 -5.727 -35.448 1.00 0.00 O
927
+ ATOM 926 CG GLN A 117 -12.313 -8.626 -33.721 1.00 0.00 C
928
+ ATOM 927 CD GLN A 117 -12.560 -10.123 -33.719 1.00 0.00 C
929
+ ATOM 928 NE2 GLN A 117 -12.306 -10.765 -32.584 1.00 0.00 N
930
+ ATOM 929 OE1 GLN A 117 -12.977 -10.697 -34.730 1.00 0.00 O
931
+ ATOM 930 N ALA A 118 -12.859 -5.312 -33.521 1.00 0.00 N
932
+ ATOM 931 CA ALA A 118 -13.972 -4.506 -33.028 1.00 0.00 C
933
+ ATOM 932 C ALA A 118 -13.507 -3.533 -31.948 1.00 0.00 C
934
+ ATOM 933 CB ALA A 118 -15.082 -5.405 -32.487 1.00 0.00 C
935
+ ATOM 934 O ALA A 118 -12.406 -3.670 -31.411 1.00 0.00 O
936
+ ATOM 935 N TYR A 119 -14.314 -2.553 -31.705 1.00 0.00 N
937
+ ATOM 936 CA TYR A 119 -14.108 -1.646 -30.581 1.00 0.00 C
938
+ ATOM 937 C TYR A 119 -15.434 -1.280 -29.925 1.00 0.00 C
939
+ ATOM 938 CB TYR A 119 -13.385 -0.377 -31.040 1.00 0.00 C
940
+ ATOM 939 O TYR A 119 -16.495 -1.415 -30.539 1.00 0.00 O
941
+ ATOM 940 CG TYR A 119 -14.244 0.544 -31.871 1.00 0.00 C
942
+ ATOM 941 CD1 TYR A 119 -14.289 0.425 -33.258 1.00 0.00 C
943
+ ATOM 942 CD2 TYR A 119 -15.013 1.536 -31.272 1.00 0.00 C
944
+ ATOM 943 CE1 TYR A 119 -15.078 1.273 -34.028 1.00 0.00 C
945
+ ATOM 944 CE2 TYR A 119 -15.806 2.390 -32.032 1.00 0.00 C
946
+ ATOM 945 OH TYR A 119 -16.615 3.093 -34.165 1.00 0.00 O
947
+ ATOM 946 CZ TYR A 119 -15.832 2.251 -33.407 1.00 0.00 C
948
+ ATOM 947 N ARG A 120 -15.364 -0.826 -28.708 1.00 0.00 N
949
+ ATOM 948 CA ARG A 120 -16.525 -0.359 -27.956 1.00 0.00 C
950
+ ATOM 949 C ARG A 120 -16.156 0.810 -27.049 1.00 0.00 C
951
+ ATOM 950 CB ARG A 120 -17.123 -1.498 -27.127 1.00 0.00 C
952
+ ATOM 951 O ARG A 120 -15.058 0.846 -26.489 1.00 0.00 O
953
+ ATOM 952 CG ARG A 120 -17.694 -2.633 -27.962 1.00 0.00 C
954
+ ATOM 953 CD ARG A 120 -18.491 -3.612 -27.111 1.00 0.00 C
955
+ ATOM 954 NE ARG A 120 -19.017 -4.716 -27.909 1.00 0.00 N
956
+ ATOM 955 NH1 ARG A 120 -21.017 -4.863 -26.765 1.00 0.00 N
957
+ ATOM 956 NH2 ARG A 120 -20.583 -6.283 -28.511 1.00 0.00 N
958
+ ATOM 957 CZ ARG A 120 -20.205 -5.285 -27.727 1.00 0.00 C
959
+ ATOM 958 N TRP A 121 -17.020 1.717 -27.015 1.00 0.00 N
960
+ ATOM 959 CA TRP A 121 -17.070 2.710 -25.947 1.00 0.00 C
961
+ ATOM 960 C TRP A 121 -18.001 2.260 -24.828 1.00 0.00 C
962
+ ATOM 961 CB TRP A 121 -17.528 4.066 -26.495 1.00 0.00 C
963
+ ATOM 962 O TRP A 121 -19.186 2.007 -25.060 1.00 0.00 O
964
+ ATOM 963 CG TRP A 121 -16.532 4.725 -27.401 1.00 0.00 C
965
+ ATOM 964 CD1 TRP A 121 -16.581 4.795 -28.766 1.00 0.00 C
966
+ ATOM 965 CD2 TRP A 121 -15.335 5.401 -27.006 1.00 0.00 C
967
+ ATOM 966 CE2 TRP A 121 -14.706 5.860 -28.185 1.00 0.00 C
968
+ ATOM 967 CE3 TRP A 121 -14.733 5.667 -25.769 1.00 0.00 C
969
+ ATOM 968 NE1 TRP A 121 -15.485 5.477 -29.243 1.00 0.00 N
970
+ ATOM 969 CH2 TRP A 121 -12.935 6.814 -26.940 1.00 0.00 C
971
+ ATOM 970 CZ2 TRP A 121 -13.502 6.570 -28.163 1.00 0.00 C
972
+ ATOM 971 CZ3 TRP A 121 -13.535 6.373 -25.749 1.00 0.00 C
973
+ ATOM 972 N LEU A 122 -17.468 2.107 -23.601 1.00 0.00 N
974
+ ATOM 973 CA LEU A 122 -18.222 1.478 -22.523 1.00 0.00 C
975
+ ATOM 974 C LEU A 122 -18.068 2.261 -21.224 1.00 0.00 C
976
+ ATOM 975 CB LEU A 122 -17.765 0.032 -22.318 1.00 0.00 C
977
+ ATOM 976 O LEU A 122 -17.004 2.824 -20.955 1.00 0.00 O
978
+ ATOM 977 CG LEU A 122 -17.940 -0.910 -23.511 1.00 0.00 C
979
+ ATOM 978 CD1 LEU A 122 -17.040 -2.132 -23.359 1.00 0.00 C
980
+ ATOM 979 CD2 LEU A 122 -19.400 -1.328 -23.652 1.00 0.00 C
981
+ ATOM 980 N GLY A 123 -19.114 2.249 -20.450 1.00 0.00 N
982
+ ATOM 981 CA GLY A 123 -18.964 2.685 -19.071 1.00 0.00 C
983
+ ATOM 982 C GLY A 123 -18.074 1.770 -18.250 1.00 0.00 C
984
+ ATOM 983 O GLY A 123 -17.707 0.683 -18.702 1.00 0.00 O
985
+ ATOM 984 N LEU A 124 -17.713 2.241 -17.093 1.00 0.00 N
986
+ ATOM 985 CA LEU A 124 -16.732 1.561 -16.254 1.00 0.00 C
987
+ ATOM 986 C LEU A 124 -17.142 0.113 -16.003 1.00 0.00 C
988
+ ATOM 987 CB LEU A 124 -16.565 2.296 -14.922 1.00 0.00 C
989
+ ATOM 988 O LEU A 124 -16.335 -0.803 -16.173 1.00 0.00 O
990
+ ATOM 989 CG LEU A 124 -15.605 1.662 -13.914 1.00 0.00 C
991
+ ATOM 990 CD1 LEU A 124 -14.202 1.574 -14.503 1.00 0.00 C
992
+ ATOM 991 CD2 LEU A 124 -15.595 2.456 -12.612 1.00 0.00 C
993
+ ATOM 992 N GLU A 125 -18.358 -0.114 -15.577 1.00 0.00 N
994
+ ATOM 993 CA GLU A 125 -18.794 -1.459 -15.213 1.00 0.00 C
995
+ ATOM 994 C GLU A 125 -18.667 -2.418 -16.394 1.00 0.00 C
996
+ ATOM 995 CB GLU A 125 -20.237 -1.438 -14.704 1.00 0.00 C
997
+ ATOM 996 O GLU A 125 -18.104 -3.506 -16.259 1.00 0.00 O
998
+ ATOM 997 CG GLU A 125 -20.717 -2.777 -14.162 1.00 0.00 C
999
+ ATOM 998 CD GLU A 125 -22.115 -2.715 -13.567 1.00 0.00 C
1000
+ ATOM 999 OE1 GLU A 125 -22.716 -1.618 -13.538 1.00 0.00 O
1001
+ ATOM 1000 OE2 GLU A 125 -22.614 -3.775 -13.126 1.00 0.00 O
1002
+ ATOM 1001 N GLU A 126 -19.178 -2.026 -17.516 1.00 0.00 N
1003
+ ATOM 1002 CA GLU A 126 -19.128 -2.870 -18.706 1.00 0.00 C
1004
+ ATOM 1003 C GLU A 126 -17.694 -3.051 -19.193 1.00 0.00 C
1005
+ ATOM 1004 CB GLU A 126 -19.992 -2.276 -19.822 1.00 0.00 C
1006
+ ATOM 1005 O GLU A 126 -17.312 -4.142 -19.622 1.00 0.00 O
1007
+ ATOM 1006 CG GLU A 126 -21.486 -2.336 -19.543 1.00 0.00 C
1008
+ ATOM 1007 CD GLU A 126 -22.327 -1.696 -20.635 1.00 0.00 C
1009
+ ATOM 1008 OE1 GLU A 126 -21.873 -0.704 -21.249 1.00 0.00 O
1010
+ ATOM 1009 OE2 GLU A 126 -23.451 -2.190 -20.878 1.00 0.00 O
1011
+ ATOM 1010 N ALA A 127 -16.926 -1.944 -19.116 1.00 0.00 N
1012
+ ATOM 1011 CA ALA A 127 -15.525 -2.039 -19.516 1.00 0.00 C
1013
+ ATOM 1012 C ALA A 127 -14.780 -3.064 -18.664 1.00 0.00 C
1014
+ ATOM 1013 CB ALA A 127 -14.849 -0.675 -19.413 1.00 0.00 C
1015
+ ATOM 1014 O ALA A 127 -13.996 -3.860 -19.185 1.00 0.00 O
1016
+ ATOM 1015 N CYS A 128 -15.074 -3.041 -17.403 1.00 0.00 N
1017
+ ATOM 1016 CA CYS A 128 -14.427 -3.972 -16.484 1.00 0.00 C
1018
+ ATOM 1017 C CYS A 128 -14.871 -5.404 -16.757 1.00 0.00 C
1019
+ ATOM 1018 CB CYS A 128 -14.737 -3.597 -15.035 1.00 0.00 C
1020
+ ATOM 1019 O CYS A 128 -14.080 -6.339 -16.623 1.00 0.00 O
1021
+ ATOM 1020 SG CYS A 128 -13.832 -2.149 -14.448 1.00 0.00 S
1022
+ ATOM 1021 N GLN A 129 -16.039 -5.570 -17.162 1.00 0.00 N
1023
+ ATOM 1022 CA GLN A 129 -16.535 -6.906 -17.477 1.00 0.00 C
1024
+ ATOM 1023 C GLN A 129 -15.861 -7.462 -18.729 1.00 0.00 C
1025
+ ATOM 1024 CB GLN A 129 -18.052 -6.885 -17.663 1.00 0.00 C
1026
+ ATOM 1025 O GLN A 129 -15.497 -8.638 -18.773 1.00 0.00 O
1027
+ ATOM 1026 CG GLN A 129 -18.829 -6.692 -16.367 1.00 0.00 C
1028
+ ATOM 1027 CD GLN A 129 -20.319 -6.523 -16.594 1.00 0.00 C
1029
+ ATOM 1028 NE2 GLN A 129 -21.056 -6.254 -15.522 1.00 0.00 N
1030
+ ATOM 1029 OE1 GLN A 129 -20.804 -6.634 -17.726 1.00 0.00 O
1031
+ ATOM 1030 N LEU A 130 -15.560 -6.588 -19.668 1.00 0.00 N
1032
+ ATOM 1031 CA LEU A 130 -14.997 -7.033 -20.937 1.00 0.00 C
1033
+ ATOM 1032 C LEU A 130 -13.487 -7.217 -20.827 1.00 0.00 C
1034
+ ATOM 1033 CB LEU A 130 -15.321 -6.032 -22.048 1.00 0.00 C
1035
+ ATOM 1034 O LEU A 130 -12.918 -8.107 -21.464 1.00 0.00 O
1036
+ ATOM 1035 CG LEU A 130 -16.705 -6.155 -22.690 1.00 0.00 C
1037
+ ATOM 1036 CD1 LEU A 130 -16.797 -5.265 -23.925 1.00 0.00 C
1038
+ ATOM 1037 CD2 LEU A 130 -17.001 -7.607 -23.048 1.00 0.00 C
1039
+ ATOM 1038 N ALA A 131 -12.747 -6.317 -20.179 1.00 0.00 N
1040
+ ATOM 1039 CA ALA A 131 -11.293 -6.391 -20.061 1.00 0.00 C
1041
+ ATOM 1040 C ALA A 131 -10.862 -7.695 -19.394 1.00 0.00 C
1042
+ ATOM 1041 CB ALA A 131 -10.761 -5.194 -19.277 1.00 0.00 C
1043
+ ATOM 1042 O ALA A 131 -9.814 -8.252 -19.726 1.00 0.00 O
1044
+ ATOM 1043 N GLN A 132 -11.491 -8.531 -18.694 1.00 0.00 N
1045
+ ATOM 1044 CA GLN A 132 -11.360 -9.844 -18.074 1.00 0.00 C
1046
+ ATOM 1045 C GLN A 132 -10.126 -9.911 -17.180 1.00 0.00 C
1047
+ ATOM 1046 CB GLN A 132 -11.295 -10.938 -19.142 1.00 0.00 C
1048
+ ATOM 1047 O GLN A 132 -10.136 -10.584 -16.147 1.00 0.00 O
1049
+ ATOM 1048 CG GLN A 132 -12.582 -11.098 -19.938 1.00 0.00 C
1050
+ ATOM 1049 CD GLN A 132 -12.596 -12.356 -20.785 1.00 0.00 C
1051
+ ATOM 1050 NE2 GLN A 132 -13.759 -12.688 -21.336 1.00 0.00 N
1052
+ ATOM 1051 OE1 GLN A 132 -11.569 -13.025 -20.944 1.00 0.00 O
1053
+ ATOM 1052 N PHE A 133 -8.998 -9.210 -17.512 1.00 0.00 N
1054
+ ATOM 1053 CA PHE A 133 -7.755 -9.305 -16.755 1.00 0.00 C
1055
+ ATOM 1054 C PHE A 133 -7.807 -8.417 -15.517 1.00 0.00 C
1056
+ ATOM 1055 CB PHE A 133 -6.560 -8.916 -17.630 1.00 0.00 C
1057
+ ATOM 1056 O PHE A 133 -8.124 -7.229 -15.611 1.00 0.00 O
1058
+ ATOM 1057 CG PHE A 133 -6.343 -9.834 -18.802 1.00 0.00 C
1059
+ ATOM 1058 CD1 PHE A 133 -5.843 -11.118 -18.615 1.00 0.00 C
1060
+ ATOM 1059 CD2 PHE A 133 -6.636 -9.414 -20.093 1.00 0.00 C
1061
+ ATOM 1060 CE1 PHE A 133 -5.640 -11.970 -19.698 1.00 0.00 C
1062
+ ATOM 1061 CE2 PHE A 133 -6.437 -10.260 -21.179 1.00 0.00 C
1063
+ ATOM 1062 CZ PHE A 133 -5.937 -11.537 -20.980 1.00 0.00 C
1064
+ ATOM 1063 N LYS A 134 -7.445 -9.052 -14.377 1.00 0.00 N
1065
+ ATOM 1064 CA LYS A 134 -7.579 -8.382 -13.087 1.00 0.00 C
1066
+ ATOM 1065 C LYS A 134 -6.802 -7.069 -13.067 1.00 0.00 C
1067
+ ATOM 1066 CB LYS A 134 -7.099 -9.293 -11.956 1.00 0.00 C
1068
+ ATOM 1067 O LYS A 134 -7.300 -6.056 -12.571 1.00 0.00 O
1069
+ ATOM 1068 CG LYS A 134 -7.204 -8.669 -10.573 1.00 0.00 C
1070
+ ATOM 1069 CD LYS A 134 -6.609 -9.577 -9.503 1.00 0.00 C
1071
+ ATOM 1070 CE LYS A 134 -6.582 -8.895 -8.142 1.00 0.00 C
1072
+ ATOM 1071 NZ LYS A 134 -5.960 -9.765 -7.099 1.00 0.00 N
1073
+ ATOM 1072 N GLU A 135 -5.606 -7.029 -13.577 1.00 0.00 N
1074
+ ATOM 1073 CA GLU A 135 -4.766 -5.835 -13.570 1.00 0.00 C
1075
+ ATOM 1074 C GLU A 135 -5.379 -4.723 -14.415 1.00 0.00 C
1076
+ ATOM 1075 CB GLU A 135 -3.358 -6.164 -14.073 1.00 0.00 C
1077
+ ATOM 1076 O GLU A 135 -5.312 -3.548 -14.049 1.00 0.00 O
1078
+ ATOM 1077 CG GLU A 135 -2.550 -7.030 -13.117 1.00 0.00 C
1079
+ ATOM 1078 CD GLU A 135 -2.846 -8.515 -13.259 1.00 0.00 C
1080
+ ATOM 1079 OE1 GLU A 135 -3.784 -8.880 -14.004 1.00 0.00 O
1081
+ ATOM 1080 OE2 GLU A 135 -2.135 -9.321 -12.618 1.00 0.00 O
1082
+ ATOM 1081 N MET A 136 -5.934 -5.122 -15.561 1.00 0.00 N
1083
+ ATOM 1082 CA MET A 136 -6.541 -4.101 -16.408 1.00 0.00 C
1084
+ ATOM 1083 C MET A 136 -7.805 -3.540 -15.766 1.00 0.00 C
1085
+ ATOM 1084 CB MET A 136 -6.864 -4.671 -17.791 1.00 0.00 C
1086
+ ATOM 1085 O MET A 136 -8.075 -2.342 -15.859 1.00 0.00 O
1087
+ ATOM 1086 CG MET A 136 -7.299 -3.622 -18.801 1.00 0.00 C
1088
+ ATOM 1087 SD MET A 136 -6.006 -2.353 -19.096 1.00 0.00 S
1089
+ ATOM 1088 CE MET A 136 -6.369 -1.204 -17.739 1.00 0.00 C
1090
+ ATOM 1089 N LYS A 137 -8.550 -4.437 -15.173 1.00 0.00 N
1091
+ ATOM 1090 CA LYS A 137 -9.727 -3.975 -14.443 1.00 0.00 C
1092
+ ATOM 1091 C LYS A 137 -9.345 -2.960 -13.370 1.00 0.00 C
1093
+ ATOM 1092 CB LYS A 137 -10.463 -5.156 -13.809 1.00 0.00 C
1094
+ ATOM 1093 O LYS A 137 -9.986 -1.915 -13.240 1.00 0.00 O
1095
+ ATOM 1094 CG LYS A 137 -11.198 -6.037 -14.809 1.00 0.00 C
1096
+ ATOM 1095 CD LYS A 137 -11.969 -7.150 -14.112 1.00 0.00 C
1097
+ ATOM 1096 CE LYS A 137 -12.600 -8.107 -15.114 1.00 0.00 C
1098
+ ATOM 1097 NZ LYS A 137 -13.358 -9.200 -14.435 1.00 0.00 N
1099
+ ATOM 1098 N ALA A 138 -8.344 -3.326 -12.662 1.00 0.00 N
1100
+ ATOM 1099 CA ALA A 138 -7.862 -2.420 -11.623 1.00 0.00 C
1101
+ ATOM 1100 C ALA A 138 -7.428 -1.083 -12.218 1.00 0.00 C
1102
+ ATOM 1101 CB ALA A 138 -6.706 -3.058 -10.856 1.00 0.00 C
1103
+ ATOM 1102 O ALA A 138 -7.706 -0.025 -11.649 1.00 0.00 O
1104
+ ATOM 1103 N ALA A 139 -6.756 -1.099 -13.325 1.00 0.00 N
1105
+ ATOM 1104 CA ALA A 139 -6.298 0.125 -13.978 1.00 0.00 C
1106
+ ATOM 1105 C ALA A 139 -7.477 0.990 -14.412 1.00 0.00 C
1107
+ ATOM 1106 CB ALA A 139 -5.417 -0.211 -15.179 1.00 0.00 C
1108
+ ATOM 1107 O ALA A 139 -7.450 2.213 -14.254 1.00 0.00 O
1109
+ ATOM 1108 N LEU A 140 -8.508 0.353 -14.955 1.00 0.00 N
1110
+ ATOM 1109 CA LEU A 140 -9.706 1.086 -15.350 1.00 0.00 C
1111
+ ATOM 1110 C LEU A 140 -10.378 1.721 -14.138 1.00 0.00 C
1112
+ ATOM 1111 CB LEU A 140 -10.691 0.156 -16.065 1.00 0.00 C
1113
+ ATOM 1112 O LEU A 140 -10.772 2.889 -14.183 1.00 0.00 O
1114
+ ATOM 1113 CG LEU A 140 -10.297 -0.297 -17.472 1.00 0.00 C
1115
+ ATOM 1114 CD1 LEU A 140 -11.196 -1.440 -17.932 1.00 0.00 C
1116
+ ATOM 1115 CD2 LEU A 140 -10.364 0.871 -18.449 1.00 0.00 C
1117
+ ATOM 1116 N GLN A 141 -10.506 0.955 -13.101 1.00 0.00 N
1118
+ ATOM 1117 CA GLN A 141 -11.149 1.437 -11.883 1.00 0.00 C
1119
+ ATOM 1118 C GLN A 141 -10.365 2.593 -11.268 1.00 0.00 C
1120
+ ATOM 1119 CB GLN A 141 -11.295 0.302 -10.867 1.00 0.00 C
1121
+ ATOM 1120 O GLN A 141 -10.946 3.613 -10.889 1.00 0.00 O
1122
+ ATOM 1121 CG GLN A 141 -12.345 -0.733 -11.250 1.00 0.00 C
1123
+ ATOM 1122 CD GLN A 141 -12.328 -1.948 -10.342 1.00 0.00 C
1124
+ ATOM 1123 NE2 GLN A 141 -13.458 -2.642 -10.258 1.00 0.00 N
1125
+ ATOM 1124 OE1 GLN A 141 -11.307 -2.262 -9.722 1.00 0.00 O
1126
+ ATOM 1125 N GLU A 142 -9.036 2.448 -11.145 1.00 0.00 N
1127
+ ATOM 1126 CA GLU A 142 -8.187 3.503 -10.601 1.00 0.00 C
1128
+ ATOM 1127 C GLU A 142 -8.238 4.756 -11.470 1.00 0.00 C
1129
+ ATOM 1128 CB GLU A 142 -6.743 3.015 -10.465 1.00 0.00 C
1130
+ ATOM 1129 O GLU A 142 -8.256 5.875 -10.955 1.00 0.00 O
1131
+ ATOM 1130 CG GLU A 142 -6.548 1.962 -9.384 1.00 0.00 C
1132
+ ATOM 1131 CD GLU A 142 -5.181 1.299 -9.432 1.00 0.00 C
1133
+ ATOM 1132 OE1 GLU A 142 -4.311 1.755 -10.208 1.00 0.00 O
1134
+ ATOM 1133 OE2 GLU A 142 -4.978 0.313 -8.688 1.00 0.00 O
1135
+ ATOM 1134 N GLY A 143 -8.230 4.522 -12.751 1.00 0.00 N
1136
+ ATOM 1135 CA GLY A 143 -8.348 5.657 -13.654 1.00 0.00 C
1137
+ ATOM 1136 C GLY A 143 -9.655 6.412 -13.494 1.00 0.00 C
1138
+ ATOM 1137 O GLY A 143 -9.665 7.644 -13.455 1.00 0.00 O
1139
+ ATOM 1138 N HIS A 144 -10.728 5.645 -13.418 1.00 0.00 N
1140
+ ATOM 1139 CA HIS A 144 -12.035 6.262 -13.223 1.00 0.00 C
1141
+ ATOM 1140 C HIS A 144 -12.088 7.038 -11.911 1.00 0.00 C
1142
+ ATOM 1141 CB HIS A 144 -13.138 5.203 -13.252 1.00 0.00 C
1143
+ ATOM 1142 O HIS A 144 -12.581 8.167 -11.873 1.00 0.00 O
1144
+ ATOM 1143 CG HIS A 144 -14.517 5.770 -13.144 1.00 0.00 C
1145
+ ATOM 1144 CD2 HIS A 144 -15.402 6.142 -14.099 1.00 0.00 C
1146
+ ATOM 1145 ND1 HIS A 144 -15.127 6.016 -11.934 1.00 0.00 N
1147
+ ATOM 1146 CE1 HIS A 144 -16.333 6.515 -12.149 1.00 0.00 C
1148
+ ATOM 1147 NE2 HIS A 144 -16.525 6.601 -13.454 1.00 0.00 N
1149
+ ATOM 1148 N GLN A 145 -11.554 6.452 -10.882 1.00 0.00 N
1150
+ ATOM 1149 CA GLN A 145 -11.520 7.120 -9.585 1.00 0.00 C
1151
+ ATOM 1150 C GLN A 145 -10.700 8.405 -9.648 1.00 0.00 C
1152
+ ATOM 1151 CB GLN A 145 -10.952 6.187 -8.514 1.00 0.00 C
1153
+ ATOM 1152 O GLN A 145 -11.086 9.424 -9.073 1.00 0.00 O
1154
+ ATOM 1153 CG GLN A 145 -11.927 5.111 -8.056 1.00 0.00 C
1155
+ ATOM 1154 CD GLN A 145 -11.288 4.097 -7.125 1.00 0.00 C
1156
+ ATOM 1155 NE2 GLN A 145 -12.049 3.075 -6.750 1.00 0.00 N
1157
+ ATOM 1156 OE1 GLN A 145 -10.119 4.230 -6.750 1.00 0.00 O
1158
+ ATOM 1157 N PHE A 146 -9.620 8.309 -10.292 1.00 0.00 N
1159
+ ATOM 1158 CA PHE A 146 -8.772 9.483 -10.453 1.00 0.00 C
1160
+ ATOM 1159 C PHE A 146 -9.521 10.595 -11.178 1.00 0.00 C
1161
+ ATOM 1160 CB PHE A 146 -7.494 9.124 -11.218 1.00 0.00 C
1162
+ ATOM 1161 O PHE A 146 -9.491 11.752 -10.751 1.00 0.00 O
1163
+ ATOM 1162 CG PHE A 146 -6.551 10.283 -11.400 1.00 0.00 C
1164
+ ATOM 1163 CD1 PHE A 146 -5.780 10.742 -10.340 1.00 0.00 C
1165
+ ATOM 1164 CD2 PHE A 146 -6.435 10.911 -12.633 1.00 0.00 C
1166
+ ATOM 1165 CE1 PHE A 146 -4.905 11.814 -10.505 1.00 0.00 C
1167
+ ATOM 1166 CE2 PHE A 146 -5.563 11.984 -12.807 1.00 0.00 C
1168
+ ATOM 1167 CZ PHE A 146 -4.800 12.433 -11.741 1.00 0.00 C
1169
+ ATOM 1168 N LEU A 147 -10.193 10.284 -12.270 1.00 0.00 N
1170
+ ATOM 1169 CA LEU A 147 -10.949 11.259 -13.048 1.00 0.00 C
1171
+ ATOM 1170 C LEU A 147 -12.050 11.891 -12.204 1.00 0.00 C
1172
+ ATOM 1171 CB LEU A 147 -11.557 10.600 -14.289 1.00 0.00 C
1173
+ ATOM 1172 O LEU A 147 -12.255 13.107 -12.253 1.00 0.00 O
1174
+ ATOM 1173 CG LEU A 147 -10.571 10.154 -15.370 1.00 0.00 C
1175
+ ATOM 1174 CD1 LEU A 147 -11.296 9.361 -16.453 1.00 0.00 C
1176
+ ATOM 1175 CD2 LEU A 147 -9.855 11.358 -15.972 1.00 0.00 C
1177
+ ATOM 1176 N CYS A 148 -12.712 11.102 -11.412 1.00 0.00 N
1178
+ ATOM 1177 CA CYS A 148 -13.768 11.614 -10.546 1.00 0.00 C
1179
+ ATOM 1178 C CYS A 148 -13.201 12.567 -9.500 1.00 0.00 C
1180
+ ATOM 1179 CB CYS A 148 -14.501 10.464 -9.856 1.00 0.00 C
1181
+ ATOM 1180 O CYS A 148 -13.817 13.588 -9.184 1.00 0.00 O
1182
+ ATOM 1181 SG CYS A 148 -15.510 9.469 -10.976 1.00 0.00 S
1183
+ ATOM 1182 N SER A 149 -12.060 12.258 -9.037 1.00 0.00 N
1184
+ ATOM 1183 CA SER A 149 -11.452 13.092 -8.006 1.00 0.00 C
1185
+ ATOM 1184 C SER A 149 -11.075 14.464 -8.555 1.00 0.00 C
1186
+ ATOM 1185 CB SER A 149 -10.212 12.410 -7.425 1.00 0.00 C
1187
+ ATOM 1186 O SER A 149 -11.239 15.478 -7.874 1.00 0.00 O
1188
+ ATOM 1187 OG SER A 149 -9.123 12.491 -8.328 1.00 0.00 O
1189
+ ATOM 1188 N ILE A 150 -10.584 14.515 -9.686 1.00 0.00 N
1190
+ ATOM 1189 CA ILE A 150 -10.144 15.799 -10.222 1.00 0.00 C
1191
+ ATOM 1190 C ILE A 150 -11.348 16.581 -10.743 1.00 0.00 C
1192
+ ATOM 1191 CB ILE A 150 -9.098 15.614 -11.344 1.00 0.00 C
1193
+ ATOM 1192 O ILE A 150 -11.309 17.811 -10.822 1.00 0.00 O
1194
+ ATOM 1193 CG1 ILE A 150 -9.684 14.775 -12.486 1.00 0.00 C
1195
+ ATOM 1194 CG2 ILE A 150 -7.822 14.973 -10.793 1.00 0.00 C
1196
+ ATOM 1195 CD1 ILE A 150 -8.765 14.644 -13.693 1.00 0.00 C
1197
+ ATOM 1196 N GLU A 151 -12.391 15.943 -11.236 1.00 0.00 N
1198
+ ATOM 1197 CA GLU A 151 -13.624 16.629 -11.610 1.00 0.00 C
1199
+ ATOM 1198 C GLU A 151 -14.305 17.245 -10.391 1.00 0.00 C
1200
+ ATOM 1199 CB GLU A 151 -14.582 15.669 -12.319 1.00 0.00 C
1201
+ ATOM 1200 O GLU A 151 -14.953 18.289 -10.496 1.00 0.00 O
1202
+ ATOM 1201 CG GLU A 151 -14.179 15.342 -13.749 1.00 0.00 C
1203
+ ATOM 1202 CD GLU A 151 -15.142 14.389 -14.441 1.00 0.00 C
1204
+ ATOM 1203 OE1 GLU A 151 -16.099 13.915 -13.790 1.00 0.00 O
1205
+ ATOM 1204 OE2 GLU A 151 -14.934 14.114 -15.645 1.00 0.00 O
1206
+ ATOM 1205 N ALA A 152 -14.265 16.508 -9.294 1.00 0.00 N
1207
+ ATOM 1206 CA ALA A 152 -14.816 17.032 -8.047 1.00 0.00 C
1208
+ ATOM 1207 C ALA A 152 -14.087 18.300 -7.614 1.00 0.00 C
1209
+ ATOM 1208 CB ALA A 152 -14.740 15.975 -6.946 1.00 0.00 C
1210
+ ATOM 1209 O ALA A 152 -14.658 19.148 -6.924 1.00 0.00 O
1211
+ ATOM 1210 N LEU A 153 -12.929 18.570 -8.082 1.00 0.00 N
1212
+ ATOM 1211 CA LEU A 153 -12.176 19.775 -7.752 1.00 0.00 C
1213
+ ATOM 1212 C LEU A 153 -12.595 20.940 -8.643 1.00 0.00 C
1214
+ ATOM 1213 CB LEU A 153 -10.673 19.523 -7.894 1.00 0.00 C
1215
+ ATOM 1214 O LEU A 153 -12.665 22.083 -8.186 1.00 0.00 O
1216
+ ATOM 1215 CG LEU A 153 -10.062 18.502 -6.934 1.00 0.00 C
1217
+ ATOM 1216 CD1 LEU A 153 -8.632 18.172 -7.350 1.00 0.00 C
1218
+ ATOM 1217 CD2 LEU A 153 -10.100 19.026 -5.502 1.00 0.00 C
1219
+ ATOM 1218 OXT LEU A 153 -12.684 20.159 -9.543 1.00 0.00 O
1220
+ TER 1219 LEU A 153
1221
+ END
1xsc/1xsc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2am2/2am2_ligand.mol2 ADDED
@@ -0,0 +1,114 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2am2_ligand
7
+ 48 50 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C4 11.9860 46.5450 55.9120 C.3 1 2LG -0.0389
14
+ 2 C6 11.4760 46.4450 53.6050 C.3 1 2LG -0.0235
15
+ 3 C7 15.1220 44.7260 54.5920 C.2 1 2LG 0.1700
16
+ 4 C8 14.8400 45.2570 56.9680 C.1 1 2LG 0.0356
17
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2bro/2bro_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2bro/2bro_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2c6n/2c6n_ligand.mol2 ADDED
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2c6n/2c6n_ligand.sdf ADDED
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+ $$$$
2c6n/2c6n_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2c6n/2c6n_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2clk/2clk_ligand.mol2 ADDED
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1
+ ###
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+ ###
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+ $$$$