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THU-ATOM
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PDBbind

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Add batch 63

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  1. 1anf/1anf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  2. 1anf/1anf_protein_processed_fix.pdb +0 -0
  3. 1d7i/1d7i_ligand.mol2 +43 -0
  4. 1d7i/1d7i_ligand.sdf +33 -0
  5. 1d7i/1d7i_protein_esmfold_aligned_tr_fix.pdb +835 -0
  6. 1d7i/1d7i_protein_processed_fix.pdb +0 -0
  7. 1dxp/1dxp_ligand.mol2 +391 -0
  8. 1dxp/1dxp_ligand.sdf +379 -0
  9. 1dxp/1dxp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  10. 1dxp/1dxp_protein_processed_fix.pdb +0 -0
  11. 1gzc/1gzc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1gzc/1gzc_protein_processed_fix.pdb +0 -0
  13. 1j37/1j37_ligand.mol2 +72 -0
  14. 1j37/1j37_ligand.sdf +64 -0
  15. 1j37/1j37_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1j37/1j37_protein_processed_fix.pdb +0 -0
  17. 1mzs/1mzs_ligand.mol2 +116 -0
  18. 1mzs/1mzs_ligand.sdf +110 -0
  19. 1mzs/1mzs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1mzs/1mzs_protein_processed_fix.pdb +0 -0
  21. 1n7i/1n7i_ligand.mol2 +67 -0
  22. 1n7i/1n7i_ligand.sdf +57 -0
  23. 1n7i/1n7i_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1n7i/1n7i_protein_processed_fix.pdb +0 -0
  25. 1ny0/1ny0_ligand.mol2 +89 -0
  26. 1ny0/1ny0_ligand.sdf +79 -0
  27. 1ny0/1ny0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1ny0/1ny0_protein_processed_fix.pdb +0 -0
  29. 1o4e/1o4e_ligand.mol2 +70 -0
  30. 1o4e/1o4e_ligand.sdf +64 -0
  31. 1o4e/1o4e_protein_esmfold_aligned_tr_fix.pdb +857 -0
  32. 1o4e/1o4e_protein_processed_fix.pdb +0 -0
  33. 1pyw/1pyw_ligand.mol2 +312 -0
  34. 1pyw/1pyw_ligand.sdf +304 -0
  35. 1pyw/1pyw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1pyw/1pyw_protein_processed_fix.pdb +0 -0
  37. 1qku/1qku_ligand.mol2 +107 -0
  38. 1qku/1qku_ligand.sdf +97 -0
  39. 1qku/1qku_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1qku/1qku_protein_processed_fix.pdb +0 -0
  41. 1vyw/1vyw_ligand.mol2 +97 -0
  42. 1vyw/1vyw_ligand.sdf +85 -0
  43. 1vyw/1vyw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1vyw/1vyw_protein_processed_fix.pdb +0 -0
  45. 1xon/1xon_ligand.mol2 +104 -0
  46. 1xon/1xon_ligand.sdf +94 -0
  47. 1xon/1xon_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1xon/1xon_protein_processed_fix.pdb +0 -0
  49. 1xqc/1xqc_ligand.mol2 +155 -0
  50. 1xqc/1xqc_ligand.sdf +145 -0
1anf/1anf_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1anf/1anf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1d7i/1d7i_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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+ @<TRIPOS>MOLECULE
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+ 1d7i_ligand
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+ 14 13 1 0 0
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+ SMALL
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+ GAST_HUCK
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+ @<TRIPOS>ATOM
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+ 1 S 60.6710 -5.4620 -0.2410 S.o 1 DSS 0.0290
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+ 2 O 60.1490 -6.4880 0.7290 O.2 1 DSS -0.2567
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+ 3 C1 59.8370 -5.6920 -1.8050 C.3 1 DSS 0.0125
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+ 4 C2 59.9600 -3.9490 0.1630 C.3 1 DSS 0.0688
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+ 5 S3 60.5040 -2.6040 -0.8980 S.3 1 DSS -0.1509
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+ 6 C4 60.0500 -1.1960 0.2120 C.3 1 DSS -0.0172
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+ 7 H1 60.1595 -6.6419 -2.2563 H 1 DSS 0.0365
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+ 8 H2 60.0887 -4.8611 -2.4805 H 1 DSS 0.0365
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+ 9 H3 58.7496 -5.7146 -1.6409 H 1 DSS 0.0365
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+ 10 H4 60.2261 -3.7041 1.2018 H 1 DSS 0.0514
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+ 11 H5 58.8674 -4.0421 0.0766 H 1 DSS 0.0514
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+ 12 H6 60.3133 -0.2455 -0.2751 H 1 DSS 0.0341
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+ 13 H7 60.5985 -1.2858 1.1613 H 1 DSS 0.0341
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+ 14 H8 58.9682 -1.2192 0.4099 H 1 DSS 0.0341
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+ @<TRIPOS>BOND
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+ 1 4 1 1
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+ 3 1 2 2
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 DSS 1
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1d7i/1d7i_ligand.sdf ADDED
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+ 1d7i_ligand
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+ -I-interpret-
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+ 14 13 0 0 0 0 0 0 0 0999 V2000
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+ 60.6710 -5.4620 -0.2410 S 0 0 0 0 0
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+ 60.1490 -6.4880 0.7290 O 0 0 0 0 0
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+ M END
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+ $$$$
1d7i/1d7i_protein_esmfold_aligned_tr_fix.pdb ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N GLY A 1 63.971 -19.325 -5.404 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 65.117 -18.658 -4.807 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 65.327 -17.249 -5.331 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 64.375 -16.589 -5.752 1.00 0.00 O
6
+ ATOM 5 N VAL A 2 66.496 -16.747 -5.099 1.00 0.00 N
7
+ ATOM 6 CA VAL A 2 66.862 -15.431 -5.611 1.00 0.00 C
8
+ ATOM 7 C VAL A 2 68.134 -15.538 -6.449 1.00 0.00 C
9
+ ATOM 8 CB VAL A 2 67.062 -14.411 -4.468 1.00 0.00 C
10
+ ATOM 9 O VAL A 2 69.104 -16.180 -6.038 1.00 0.00 O
11
+ ATOM 10 CG1 VAL A 2 68.166 -14.874 -3.519 1.00 0.00 C
12
+ ATOM 11 CG2 VAL A 2 67.385 -13.030 -5.034 1.00 0.00 C
13
+ ATOM 12 N GLN A 3 68.086 -15.001 -7.652 1.00 0.00 N
14
+ ATOM 13 CA GLN A 3 69.265 -14.842 -8.498 1.00 0.00 C
15
+ ATOM 14 C GLN A 3 69.815 -13.420 -8.413 1.00 0.00 C
16
+ ATOM 15 CB GLN A 3 68.937 -15.191 -9.950 1.00 0.00 C
17
+ ATOM 16 O GLN A 3 69.063 -12.450 -8.531 1.00 0.00 O
18
+ ATOM 17 CG GLN A 3 68.543 -16.648 -10.157 1.00 0.00 C
19
+ ATOM 18 CD GLN A 3 68.242 -16.974 -11.608 1.00 0.00 C
20
+ ATOM 19 NE2 GLN A 3 67.987 -18.247 -11.889 1.00 0.00 N
21
+ ATOM 20 OE1 GLN A 3 68.239 -16.088 -12.469 1.00 0.00 O
22
+ ATOM 21 N VAL A 4 71.112 -13.321 -8.221 1.00 0.00 N
23
+ ATOM 22 CA VAL A 4 71.785 -12.029 -8.127 1.00 0.00 C
24
+ ATOM 23 C VAL A 4 72.741 -11.857 -9.306 1.00 0.00 C
25
+ ATOM 24 CB VAL A 4 72.551 -11.882 -6.794 1.00 0.00 C
26
+ ATOM 25 O VAL A 4 73.678 -12.641 -9.472 1.00 0.00 O
27
+ ATOM 26 CG1 VAL A 4 73.176 -10.493 -6.680 1.00 0.00 C
28
+ ATOM 27 CG2 VAL A 4 71.621 -12.152 -5.612 1.00 0.00 C
29
+ ATOM 28 N GLU A 5 72.442 -10.935 -10.134 1.00 0.00 N
30
+ ATOM 29 CA GLU A 5 73.300 -10.605 -11.269 1.00 0.00 C
31
+ ATOM 30 C GLU A 5 73.888 -9.204 -11.124 1.00 0.00 C
32
+ ATOM 31 CB GLU A 5 72.520 -10.715 -12.581 1.00 0.00 C
33
+ ATOM 32 O GLU A 5 73.152 -8.218 -11.071 1.00 0.00 O
34
+ ATOM 33 CG GLU A 5 73.370 -10.485 -13.822 1.00 0.00 C
35
+ ATOM 34 CD GLU A 5 72.557 -10.438 -15.107 1.00 0.00 C
36
+ ATOM 35 OE1 GLU A 5 71.423 -10.969 -15.127 1.00 0.00 O
37
+ ATOM 36 OE2 GLU A 5 73.058 -9.867 -16.101 1.00 0.00 O
38
+ ATOM 37 N THR A 6 75.176 -9.101 -11.130 1.00 0.00 N
39
+ ATOM 38 CA THR A 6 75.848 -7.821 -10.931 1.00 0.00 C
40
+ ATOM 39 C THR A 6 75.688 -6.931 -12.160 1.00 0.00 C
41
+ ATOM 40 CB THR A 6 77.344 -8.017 -10.626 1.00 0.00 C
42
+ ATOM 41 O THR A 6 75.955 -7.361 -13.283 1.00 0.00 O
43
+ ATOM 42 CG2 THR A 6 78.048 -6.676 -10.446 1.00 0.00 C
44
+ ATOM 43 OG1 THR A 6 77.486 -8.784 -9.425 1.00 0.00 O
45
+ ATOM 44 N ILE A 7 75.250 -5.735 -11.963 1.00 0.00 N
46
+ ATOM 45 CA ILE A 7 75.207 -4.703 -12.995 1.00 0.00 C
47
+ ATOM 46 C ILE A 7 76.454 -3.828 -12.901 1.00 0.00 C
48
+ ATOM 47 CB ILE A 7 73.933 -3.837 -12.876 1.00 0.00 C
49
+ ATOM 48 O ILE A 7 77.108 -3.558 -13.911 1.00 0.00 O
50
+ ATOM 49 CG1 ILE A 7 72.681 -4.699 -13.076 1.00 0.00 C
51
+ ATOM 50 CG2 ILE A 7 73.969 -2.682 -13.880 1.00 0.00 C
52
+ ATOM 51 CD1 ILE A 7 71.380 -3.991 -12.723 1.00 0.00 C
53
+ ATOM 52 N SER A 8 76.817 -3.447 -11.763 1.00 0.00 N
54
+ ATOM 53 CA SER A 8 78.053 -2.746 -11.430 1.00 0.00 C
55
+ ATOM 54 C SER A 8 78.642 -3.256 -10.120 1.00 0.00 C
56
+ ATOM 55 CB SER A 8 77.806 -1.240 -11.335 1.00 0.00 C
57
+ ATOM 56 O SER A 8 77.909 -3.523 -9.165 1.00 0.00 O
58
+ ATOM 57 OG SER A 8 77.059 -0.925 -10.174 1.00 0.00 O
59
+ ATOM 58 N PRO A 9 79.930 -3.386 -10.097 1.00 0.00 N
60
+ ATOM 59 CA PRO A 9 80.540 -3.966 -8.898 1.00 0.00 C
61
+ ATOM 60 C PRO A 9 80.553 -3.001 -7.716 1.00 0.00 C
62
+ ATOM 61 CB PRO A 9 81.965 -4.296 -9.351 1.00 0.00 C
63
+ ATOM 62 O PRO A 9 80.501 -1.783 -7.908 1.00 0.00 O
64
+ ATOM 63 CG PRO A 9 82.277 -3.275 -10.398 1.00 0.00 C
65
+ ATOM 64 CD PRO A 9 81.023 -2.984 -11.170 1.00 0.00 C
66
+ ATOM 65 N GLY A 10 80.551 -3.581 -6.550 1.00 0.00 N
67
+ ATOM 66 CA GLY A 10 80.799 -2.815 -5.339 1.00 0.00 C
68
+ ATOM 67 C GLY A 10 82.255 -2.823 -4.916 1.00 0.00 C
69
+ ATOM 68 O GLY A 10 83.145 -3.058 -5.737 1.00 0.00 O
70
+ ATOM 69 N ASP A 11 82.489 -2.580 -3.573 1.00 0.00 N
71
+ ATOM 70 CA ASP A 11 83.855 -2.543 -3.061 1.00 0.00 C
72
+ ATOM 71 C ASP A 11 84.422 -3.953 -2.906 1.00 0.00 C
73
+ ATOM 72 CB ASP A 11 83.907 -1.806 -1.721 1.00 0.00 C
74
+ ATOM 73 O ASP A 11 85.621 -4.124 -2.680 1.00 0.00 O
75
+ ATOM 74 CG ASP A 11 83.106 -2.497 -0.632 1.00 0.00 C
76
+ ATOM 75 OD1 ASP A 11 82.587 -3.609 -0.869 1.00 0.00 O
77
+ ATOM 76 OD2 ASP A 11 82.990 -1.922 0.472 1.00 0.00 O
78
+ ATOM 77 N GLY A 12 83.527 -4.971 -3.007 1.00 0.00 N
79
+ ATOM 78 CA GLY A 12 83.972 -6.355 -2.971 1.00 0.00 C
80
+ ATOM 79 C GLY A 12 84.478 -6.784 -1.606 1.00 0.00 C
81
+ ATOM 80 O GLY A 12 85.008 -7.886 -1.452 1.00 0.00 O
82
+ ATOM 81 N ARG A 13 84.295 -5.892 -0.520 1.00 0.00 N
83
+ ATOM 82 CA ARG A 13 84.896 -6.151 0.784 1.00 0.00 C
84
+ ATOM 83 C ARG A 13 83.855 -6.055 1.895 1.00 0.00 C
85
+ ATOM 84 CB ARG A 13 86.041 -5.172 1.054 1.00 0.00 C
86
+ ATOM 85 O ARG A 13 83.961 -6.742 2.913 1.00 0.00 O
87
+ ATOM 86 CG ARG A 13 87.221 -5.329 0.107 1.00 0.00 C
88
+ ATOM 87 CD ARG A 13 88.304 -4.295 0.379 1.00 0.00 C
89
+ ATOM 88 NE ARG A 13 89.366 -4.350 -0.621 1.00 0.00 N
90
+ ATOM 89 NH1 ARG A 13 90.581 -2.599 0.270 1.00 0.00 N
91
+ ATOM 90 NH2 ARG A 13 91.330 -3.682 -1.606 1.00 0.00 N
92
+ ATOM 91 CZ ARG A 13 90.423 -3.544 -0.650 1.00 0.00 C
93
+ ATOM 92 N THR A 14 82.982 -5.183 1.810 1.00 0.00 N
94
+ ATOM 93 CA THR A 14 82.011 -4.895 2.860 1.00 0.00 C
95
+ ATOM 94 C THR A 14 80.644 -5.474 2.506 1.00 0.00 C
96
+ ATOM 95 CB THR A 14 81.882 -3.379 3.100 1.00 0.00 C
97
+ ATOM 96 O THR A 14 79.965 -4.973 1.607 1.00 0.00 O
98
+ ATOM 97 CG2 THR A 14 81.141 -3.090 4.402 1.00 0.00 C
99
+ ATOM 98 OG1 THR A 14 83.191 -2.800 3.170 1.00 0.00 O
100
+ ATOM 99 N PHE A 15 80.259 -6.511 3.221 1.00 0.00 N
101
+ ATOM 100 CA PHE A 15 78.975 -7.174 3.024 1.00 0.00 C
102
+ ATOM 101 C PHE A 15 78.078 -6.991 4.243 1.00 0.00 C
103
+ ATOM 102 CB PHE A 15 79.177 -8.666 2.741 1.00 0.00 C
104
+ ATOM 103 O PHE A 15 78.566 -6.907 5.372 1.00 0.00 O
105
+ ATOM 104 CG PHE A 15 79.898 -8.947 1.450 1.00 0.00 C
106
+ ATOM 105 CD1 PHE A 15 79.188 -9.185 0.279 1.00 0.00 C
107
+ ATOM 106 CD2 PHE A 15 81.286 -8.972 1.408 1.00 0.00 C
108
+ ATOM 107 CE1 PHE A 15 79.853 -9.445 -0.917 1.00 0.00 C
109
+ ATOM 108 CE2 PHE A 15 81.957 -9.231 0.216 1.00 0.00 C
110
+ ATOM 109 CZ PHE A 15 81.238 -9.469 -0.945 1.00 0.00 C
111
+ ATOM 110 N PRO A 16 76.794 -6.884 3.968 1.00 0.00 N
112
+ ATOM 111 CA PRO A 16 75.884 -6.753 5.108 1.00 0.00 C
113
+ ATOM 112 C PRO A 16 75.917 -7.969 6.032 1.00 0.00 C
114
+ ATOM 113 CB PRO A 16 74.510 -6.605 4.447 1.00 0.00 C
115
+ ATOM 114 O PRO A 16 76.037 -9.103 5.561 1.00 0.00 O
116
+ ATOM 115 CG PRO A 16 74.806 -6.276 3.020 1.00 0.00 C
117
+ ATOM 116 CD PRO A 16 76.149 -6.847 2.667 1.00 0.00 C
118
+ ATOM 117 N LYS A 17 75.707 -7.720 7.288 1.00 0.00 N
119
+ ATOM 118 CA LYS A 17 75.572 -8.744 8.319 1.00 0.00 C
120
+ ATOM 119 C LYS A 17 74.207 -8.664 8.998 1.00 0.00 C
121
+ ATOM 120 CB LYS A 17 76.684 -8.609 9.360 1.00 0.00 C
122
+ ATOM 121 O LYS A 17 73.576 -7.606 9.011 1.00 0.00 O
123
+ ATOM 122 CG LYS A 17 78.088 -8.732 8.786 1.00 0.00 C
124
+ ATOM 123 CD LYS A 17 79.150 -8.581 9.867 1.00 0.00 C
125
+ ATOM 124 CE LYS A 17 80.555 -8.624 9.283 1.00 0.00 C
126
+ ATOM 125 NZ LYS A 17 81.598 -8.410 10.330 1.00 0.00 N
127
+ ATOM 126 N ARG A 18 73.854 -9.757 9.504 1.00 0.00 N
128
+ ATOM 127 CA ARG A 18 72.599 -9.788 10.247 1.00 0.00 C
129
+ ATOM 128 C ARG A 18 72.566 -8.697 11.312 1.00 0.00 C
130
+ ATOM 129 CB ARG A 18 72.389 -11.158 10.894 1.00 0.00 C
131
+ ATOM 130 O ARG A 18 73.541 -8.509 12.045 1.00 0.00 O
132
+ ATOM 131 CG ARG A 18 71.013 -11.343 11.515 1.00 0.00 C
133
+ ATOM 132 CD ARG A 18 70.843 -12.736 12.104 1.00 0.00 C
134
+ ATOM 133 NE ARG A 18 69.531 -12.902 12.724 1.00 0.00 N
135
+ ATOM 134 NH1 ARG A 18 68.549 -13.864 10.867 1.00 0.00 N
136
+ ATOM 135 NH2 ARG A 18 67.325 -13.537 12.778 1.00 0.00 N
137
+ ATOM 136 CZ ARG A 18 68.471 -13.435 12.122 1.00 0.00 C
138
+ ATOM 137 N GLY A 19 71.412 -7.935 11.347 1.00 0.00 N
139
+ ATOM 138 CA GLY A 19 71.229 -6.887 12.337 1.00 0.00 C
140
+ ATOM 139 C GLY A 19 71.660 -5.518 11.845 1.00 0.00 C
141
+ ATOM 140 O GLY A 19 71.429 -4.510 12.516 1.00 0.00 O
142
+ ATOM 141 N GLN A 20 72.287 -5.517 10.715 1.00 0.00 N
143
+ ATOM 142 CA GLN A 20 72.708 -4.245 10.138 1.00 0.00 C
144
+ ATOM 143 C GLN A 20 71.617 -3.655 9.250 1.00 0.00 C
145
+ ATOM 144 CB GLN A 20 73.999 -4.420 9.336 1.00 0.00 C
146
+ ATOM 145 O GLN A 20 70.843 -4.392 8.636 1.00 0.00 O
147
+ ATOM 146 CG GLN A 20 75.212 -4.762 10.191 1.00 0.00 C
148
+ ATOM 147 CD GLN A 20 76.497 -4.825 9.387 1.00 0.00 C
149
+ ATOM 148 NE2 GLN A 20 77.508 -4.083 9.826 1.00 0.00 N
150
+ ATOM 149 OE1 GLN A 20 76.581 -5.535 8.380 1.00 0.00 O
151
+ ATOM 150 N THR A 21 71.522 -2.340 9.269 1.00 0.00 N
152
+ ATOM 151 CA THR A 21 70.589 -1.637 8.397 1.00 0.00 C
153
+ ATOM 152 C THR A 21 71.193 -1.433 7.010 1.00 0.00 C
154
+ ATOM 153 CB THR A 21 70.188 -0.273 8.991 1.00 0.00 C
155
+ ATOM 154 O THR A 21 72.273 -0.854 6.877 1.00 0.00 O
156
+ ATOM 155 CG2 THR A 21 69.232 0.471 8.063 1.00 0.00 C
157
+ ATOM 156 OG1 THR A 21 69.545 -0.480 10.254 1.00 0.00 O
158
+ ATOM 157 N CYS A 22 70.519 -1.919 6.027 1.00 0.00 N
159
+ ATOM 158 CA CYS A 22 70.887 -1.735 4.627 1.00 0.00 C
160
+ ATOM 159 C CYS A 22 70.179 -0.524 4.032 1.00 0.00 C
161
+ ATOM 160 CB CYS A 22 70.549 -2.986 3.816 1.00 0.00 C
162
+ ATOM 161 O CYS A 22 68.966 -0.371 4.186 1.00 0.00 O
163
+ ATOM 162 SG CYS A 22 71.362 -4.484 4.414 1.00 0.00 S
164
+ ATOM 163 N VAL A 23 70.945 0.323 3.460 1.00 0.00 N
165
+ ATOM 164 CA VAL A 23 70.411 1.476 2.743 1.00 0.00 C
166
+ ATOM 165 C VAL A 23 70.550 1.259 1.238 1.00 0.00 C
167
+ ATOM 166 CB VAL A 23 71.123 2.784 3.160 1.00 0.00 C
168
+ ATOM 167 O VAL A 23 71.663 1.124 0.724 1.00 0.00 O
169
+ ATOM 168 CG1 VAL A 23 70.455 3.992 2.510 1.00 0.00 C
170
+ ATOM 169 CG2 VAL A 23 71.129 2.925 4.682 1.00 0.00 C
171
+ ATOM 170 N VAL A 24 69.427 1.273 0.533 1.00 0.00 N
172
+ ATOM 171 CA VAL A 24 69.461 0.881 -0.871 1.00 0.00 C
173
+ ATOM 172 C VAL A 24 68.599 1.835 -1.696 1.00 0.00 C
174
+ ATOM 173 CB VAL A 24 68.979 -0.575 -1.067 1.00 0.00 C
175
+ ATOM 174 O VAL A 24 67.716 2.506 -1.157 1.00 0.00 O
176
+ ATOM 175 CG1 VAL A 24 69.834 -1.540 -0.247 1.00 0.00 C
177
+ ATOM 176 CG2 VAL A 24 67.506 -0.705 -0.685 1.00 0.00 C
178
+ ATOM 177 N HIS A 25 68.907 1.946 -2.932 1.00 0.00 N
179
+ ATOM 178 CA HIS A 25 67.952 2.336 -3.964 1.00 0.00 C
180
+ ATOM 179 C HIS A 25 67.522 1.133 -4.798 1.00 0.00 C
181
+ ATOM 180 CB HIS A 25 68.550 3.415 -4.868 1.00 0.00 C
182
+ ATOM 181 O HIS A 25 68.304 0.203 -5.005 1.00 0.00 O
183
+ ATOM 182 CG HIS A 25 68.311 4.808 -4.378 1.00 0.00 C
184
+ ATOM 183 CD2 HIS A 25 69.173 5.817 -4.116 1.00 0.00 C
185
+ ATOM 184 ND1 HIS A 25 67.052 5.292 -4.099 1.00 0.00 N
186
+ ATOM 185 CE1 HIS A 25 67.151 6.544 -3.686 1.00 0.00 C
187
+ ATOM 186 NE2 HIS A 25 68.427 6.887 -3.687 1.00 0.00 N
188
+ ATOM 187 N TYR A 26 66.227 1.270 -5.318 1.00 0.00 N
189
+ ATOM 188 CA TYR A 26 65.762 0.125 -6.094 1.00 0.00 C
190
+ ATOM 189 C TYR A 26 64.659 0.534 -7.063 1.00 0.00 C
191
+ ATOM 190 CB TYR A 26 65.256 -0.984 -5.165 1.00 0.00 C
192
+ ATOM 191 O TYR A 26 64.026 1.578 -6.888 1.00 0.00 O
193
+ ATOM 192 CG TYR A 26 63.926 -0.675 -4.522 1.00 0.00 C
194
+ ATOM 193 CD1 TYR A 26 63.857 0.029 -3.321 1.00 0.00 C
195
+ ATOM 194 CD2 TYR A 26 62.736 -1.089 -5.110 1.00 0.00 C
196
+ ATOM 195 CE1 TYR A 26 62.634 0.314 -2.724 1.00 0.00 C
197
+ ATOM 196 CE2 TYR A 26 61.507 -0.811 -4.522 1.00 0.00 C
198
+ ATOM 197 OH TYR A 26 60.253 0.169 -2.742 1.00 0.00 O
199
+ ATOM 198 CZ TYR A 26 61.466 -0.109 -3.330 1.00 0.00 C
200
+ ATOM 199 N THR A 27 64.478 -0.265 -7.962 1.00 0.00 N
201
+ ATOM 200 CA THR A 27 63.326 -0.302 -8.856 1.00 0.00 C
202
+ ATOM 201 C THR A 27 62.787 -1.723 -8.985 1.00 0.00 C
203
+ ATOM 202 CB THR A 27 63.684 0.244 -10.251 1.00 0.00 C
204
+ ATOM 203 O THR A 27 63.535 -2.651 -9.300 1.00 0.00 O
205
+ ATOM 204 CG2 THR A 27 62.464 0.252 -11.167 1.00 0.00 C
206
+ ATOM 205 OG1 THR A 27 64.179 1.582 -10.121 1.00 0.00 O
207
+ ATOM 206 N GLY A 28 61.528 -1.839 -8.710 1.00 0.00 N
208
+ ATOM 207 CA GLY A 28 60.874 -3.136 -8.773 1.00 0.00 C
209
+ ATOM 208 C GLY A 28 59.948 -3.280 -9.965 1.00 0.00 C
210
+ ATOM 209 O GLY A 28 59.150 -2.384 -10.249 1.00 0.00 O
211
+ ATOM 210 N MET A 29 60.037 -4.408 -10.550 1.00 0.00 N
212
+ ATOM 211 CA MET A 29 59.265 -4.699 -11.755 1.00 0.00 C
213
+ ATOM 212 C MET A 29 58.725 -6.125 -11.724 1.00 0.00 C
214
+ ATOM 213 CB MET A 29 60.120 -4.491 -13.005 1.00 0.00 C
215
+ ATOM 214 O MET A 29 59.285 -6.992 -11.050 1.00 0.00 O
216
+ ATOM 215 CG MET A 29 60.606 -3.062 -13.185 1.00 0.00 C
217
+ ATOM 216 SD MET A 29 61.938 -2.925 -14.440 1.00 0.00 S
218
+ ATOM 217 CE MET A 29 63.347 -3.543 -13.480 1.00 0.00 C
219
+ ATOM 218 N LEU A 30 57.635 -6.311 -12.464 1.00 0.00 N
220
+ ATOM 219 CA LEU A 30 57.202 -7.664 -12.800 1.00 0.00 C
221
+ ATOM 220 C LEU A 30 58.057 -8.245 -13.920 1.00 0.00 C
222
+ ATOM 221 CB LEU A 30 55.728 -7.669 -13.210 1.00 0.00 C
223
+ ATOM 222 O LEU A 30 58.840 -7.528 -14.546 1.00 0.00 O
224
+ ATOM 223 CG LEU A 30 54.734 -7.128 -12.181 1.00 0.00 C
225
+ ATOM 224 CD1 LEU A 30 53.333 -7.068 -12.778 1.00 0.00 C
226
+ ATOM 225 CD2 LEU A 30 54.749 -7.986 -10.920 1.00 0.00 C
227
+ ATOM 226 N GLU A 31 57.870 -9.462 -14.088 1.00 0.00 N
228
+ ATOM 227 CA GLU A 31 58.678 -10.163 -15.081 1.00 0.00 C
229
+ ATOM 228 C GLU A 31 58.510 -9.545 -16.466 1.00 0.00 C
230
+ ATOM 229 CB GLU A 31 58.313 -11.649 -15.121 1.00 0.00 C
231
+ ATOM 230 O GLU A 31 59.441 -9.556 -17.275 1.00 0.00 O
232
+ ATOM 231 CG GLU A 31 59.280 -12.500 -15.932 1.00 0.00 C
233
+ ATOM 232 CD GLU A 31 58.932 -13.979 -15.921 1.00 0.00 C
234
+ ATOM 233 OE1 GLU A 31 57.786 -14.331 -15.560 1.00 0.00 O
235
+ ATOM 234 OE2 GLU A 31 59.812 -14.795 -16.276 1.00 0.00 O
236
+ ATOM 235 N ASP A 32 57.387 -8.973 -16.741 1.00 0.00 N
237
+ ATOM 236 CA ASP A 32 57.140 -8.403 -18.061 1.00 0.00 C
238
+ ATOM 237 C ASP A 32 57.698 -6.985 -18.160 1.00 0.00 C
239
+ ATOM 238 CB ASP A 32 55.642 -8.400 -18.373 1.00 0.00 C
240
+ ATOM 239 O ASP A 32 57.513 -6.309 -19.174 1.00 0.00 O
241
+ ATOM 240 CG ASP A 32 54.831 -7.584 -17.382 1.00 0.00 C
242
+ ATOM 241 OD1 ASP A 32 55.423 -6.964 -16.473 1.00 0.00 O
243
+ ATOM 242 OD2 ASP A 32 53.588 -7.562 -17.510 1.00 0.00 O
244
+ ATOM 243 N GLY A 33 58.320 -6.512 -17.102 1.00 0.00 N
245
+ ATOM 244 CA GLY A 33 58.990 -5.223 -17.150 1.00 0.00 C
246
+ ATOM 245 C GLY A 33 58.160 -4.096 -16.564 1.00 0.00 C
247
+ ATOM 246 O GLY A 33 58.627 -2.960 -16.466 1.00 0.00 O
248
+ ATOM 247 N LYS A 34 56.944 -4.376 -16.200 1.00 0.00 N
249
+ ATOM 248 CA LYS A 34 56.084 -3.351 -15.614 1.00 0.00 C
250
+ ATOM 249 C LYS A 34 56.575 -2.950 -14.226 1.00 0.00 C
251
+ ATOM 250 CB LYS A 34 54.639 -3.843 -15.537 1.00 0.00 C
252
+ ATOM 251 O LYS A 34 56.628 -3.780 -13.317 1.00 0.00 O
253
+ ATOM 252 CG LYS A 34 53.657 -2.800 -15.021 1.00 0.00 C
254
+ ATOM 253 CD LYS A 34 52.228 -3.326 -15.026 1.00 0.00 C
255
+ ATOM 254 CE LYS A 34 51.264 -2.337 -14.386 1.00 0.00 C
256
+ ATOM 255 NZ LYS A 34 49.855 -2.830 -14.427 1.00 0.00 N
257
+ ATOM 256 N LYS A 35 56.950 -1.724 -14.163 1.00 0.00 N
258
+ ATOM 257 CA LYS A 35 57.412 -1.174 -12.891 1.00 0.00 C
259
+ ATOM 258 C LYS A 35 56.262 -1.043 -11.899 1.00 0.00 C
260
+ ATOM 259 CB LYS A 35 58.079 0.186 -13.105 1.00 0.00 C
261
+ ATOM 260 O LYS A 35 55.191 -0.538 -12.244 1.00 0.00 O
262
+ ATOM 261 CG LYS A 35 58.694 0.778 -11.846 1.00 0.00 C
263
+ ATOM 262 CD LYS A 35 59.466 2.057 -12.149 1.00 0.00 C
264
+ ATOM 263 CE LYS A 35 58.529 3.209 -12.486 1.00 0.00 C
265
+ ATOM 264 NZ LYS A 35 59.263 4.504 -12.603 1.00 0.00 N
266
+ ATOM 265 N PHE A 36 56.563 -1.495 -10.674 1.00 0.00 N
267
+ ATOM 266 CA PHE A 36 55.494 -1.339 -9.696 1.00 0.00 C
268
+ ATOM 267 C PHE A 36 55.960 -0.498 -8.514 1.00 0.00 C
269
+ ATOM 268 CB PHE A 36 55.005 -2.705 -9.208 1.00 0.00 C
270
+ ATOM 269 O PHE A 36 55.142 -0.016 -7.728 1.00 0.00 O
271
+ ATOM 270 CG PHE A 36 56.077 -3.536 -8.555 1.00 0.00 C
272
+ ATOM 271 CD1 PHE A 36 56.717 -4.549 -9.258 1.00 0.00 C
273
+ ATOM 272 CD2 PHE A 36 56.446 -3.302 -7.236 1.00 0.00 C
274
+ ATOM 273 CE1 PHE A 36 57.710 -5.318 -8.657 1.00 0.00 C
275
+ ATOM 274 CE2 PHE A 36 57.437 -4.067 -6.628 1.00 0.00 C
276
+ ATOM 275 CZ PHE A 36 58.067 -5.075 -7.341 1.00 0.00 C
277
+ ATOM 276 N ASP A 37 57.259 -0.297 -8.318 1.00 0.00 N
278
+ ATOM 277 CA ASP A 37 57.770 0.526 -7.225 1.00 0.00 C
279
+ ATOM 278 C ASP A 37 59.212 0.955 -7.489 1.00 0.00 C
280
+ ATOM 279 CB ASP A 37 57.681 -0.229 -5.898 1.00 0.00 C
281
+ ATOM 280 O ASP A 37 59.953 0.262 -8.190 1.00 0.00 O
282
+ ATOM 281 CG ASP A 37 57.806 0.681 -4.688 1.00 0.00 C
283
+ ATOM 282 OD1 ASP A 37 57.602 1.907 -4.823 1.00 0.00 O
284
+ ATOM 283 OD2 ASP A 37 58.115 0.168 -3.592 1.00 0.00 O
285
+ ATOM 284 N SER A 38 59.507 2.139 -6.906 1.00 0.00 N
286
+ ATOM 285 CA SER A 38 60.868 2.643 -7.063 1.00 0.00 C
287
+ ATOM 286 C SER A 38 61.203 3.675 -5.991 1.00 0.00 C
288
+ ATOM 287 CB SER A 38 61.054 3.259 -8.450 1.00 0.00 C
289
+ ATOM 288 O SER A 38 60.504 4.681 -5.851 1.00 0.00 O
290
+ ATOM 289 OG SER A 38 62.373 3.756 -8.608 1.00 0.00 O
291
+ ATOM 290 N SER A 39 62.250 3.480 -5.268 1.00 0.00 N
292
+ ATOM 291 CA SER A 39 62.746 4.462 -4.308 1.00 0.00 C
293
+ ATOM 292 C SER A 39 63.360 5.666 -5.017 1.00 0.00 C
294
+ ATOM 293 CB SER A 39 63.779 3.828 -3.376 1.00 0.00 C
295
+ ATOM 294 O SER A 39 63.411 6.762 -4.457 1.00 0.00 O
296
+ ATOM 295 OG SER A 39 64.897 3.357 -4.109 1.00 0.00 O
297
+ ATOM 296 N ARG A 40 63.802 5.446 -6.140 1.00 0.00 N
298
+ ATOM 297 CA ARG A 40 64.413 6.507 -6.935 1.00 0.00 C
299
+ ATOM 298 C ARG A 40 63.385 7.565 -7.319 1.00 0.00 C
300
+ ATOM 299 CB ARG A 40 65.066 5.928 -8.192 1.00 0.00 C
301
+ ATOM 300 O ARG A 40 63.686 8.760 -7.322 1.00 0.00 O
302
+ ATOM 301 CG ARG A 40 66.243 5.010 -7.907 1.00 0.00 C
303
+ ATOM 302 CD ARG A 40 66.917 4.543 -9.191 1.00 0.00 C
304
+ ATOM 303 NE ARG A 40 67.970 3.567 -8.922 1.00 0.00 N
305
+ ATOM 304 NH1 ARG A 40 69.545 5.132 -8.286 1.00 0.00 N
306
+ ATOM 305 NH2 ARG A 40 70.074 2.902 -8.287 1.00 0.00 N
307
+ ATOM 306 CZ ARG A 40 69.193 3.869 -8.499 1.00 0.00 C
308
+ ATOM 307 N ASP A 41 62.222 7.108 -7.607 1.00 0.00 N
309
+ ATOM 308 CA ASP A 41 61.154 8.030 -7.984 1.00 0.00 C
310
+ ATOM 309 C ASP A 41 60.823 8.985 -6.839 1.00 0.00 C
311
+ ATOM 310 CB ASP A 41 59.903 7.257 -8.404 1.00 0.00 C
312
+ ATOM 311 O ASP A 41 60.441 10.133 -7.072 1.00 0.00 O
313
+ ATOM 312 CG ASP A 41 60.077 6.516 -9.718 1.00 0.00 C
314
+ ATOM 313 OD1 ASP A 41 61.055 6.788 -10.448 1.00 0.00 O
315
+ ATOM 314 OD2 ASP A 41 59.226 5.654 -10.029 1.00 0.00 O
316
+ ATOM 315 N ARG A 42 61.000 8.570 -5.623 1.00 0.00 N
317
+ ATOM 316 CA ARG A 42 60.686 9.358 -4.435 1.00 0.00 C
318
+ ATOM 317 C ARG A 42 61.928 10.060 -3.898 1.00 0.00 C
319
+ ATOM 318 CB ARG A 42 60.073 8.471 -3.349 1.00 0.00 C
320
+ ATOM 319 O ARG A 42 61.853 10.800 -2.915 1.00 0.00 O
321
+ ATOM 320 CG ARG A 42 58.749 7.837 -3.746 1.00 0.00 C
322
+ ATOM 321 CD ARG A 42 58.122 7.071 -2.589 1.00 0.00 C
323
+ ATOM 322 NE ARG A 42 58.928 5.914 -2.209 1.00 0.00 N
324
+ ATOM 323 NH1 ARG A 42 57.808 4.424 -3.574 1.00 0.00 N
325
+ ATOM 324 NH2 ARG A 42 59.551 3.704 -2.271 1.00 0.00 N
326
+ ATOM 325 CZ ARG A 42 58.760 4.684 -2.685 1.00 0.00 C
327
+ ATOM 326 N ASN A 43 63.049 9.780 -4.642 1.00 0.00 N
328
+ ATOM 327 CA ASN A 43 64.337 10.320 -4.222 1.00 0.00 C
329
+ ATOM 328 C ASN A 43 64.582 10.091 -2.733 1.00 0.00 C
330
+ ATOM 329 CB ASN A 43 64.427 11.812 -4.552 1.00 0.00 C
331
+ ATOM 330 O ASN A 43 65.033 10.995 -2.028 1.00 0.00 O
332
+ ATOM 331 CG ASN A 43 65.857 12.312 -4.603 1.00 0.00 C
333
+ ATOM 332 ND2 ASN A 43 66.050 13.588 -4.290 1.00 0.00 N
334
+ ATOM 333 OD1 ASN A 43 66.780 11.559 -4.922 1.00 0.00 O
335
+ ATOM 334 N LYS A 44 64.166 8.975 -2.291 1.00 0.00 N
336
+ ATOM 335 CA LYS A 44 64.363 8.577 -0.900 1.00 0.00 C
337
+ ATOM 336 C LYS A 44 64.786 7.113 -0.803 1.00 0.00 C
338
+ ATOM 337 CB LYS A 44 63.089 8.810 -0.089 1.00 0.00 C
339
+ ATOM 338 O LYS A 44 64.011 6.214 -1.141 1.00 0.00 O
340
+ ATOM 339 CG LYS A 44 63.265 8.615 1.410 1.00 0.00 C
341
+ ATOM 340 CD LYS A 44 61.977 8.912 2.168 1.00 0.00 C
342
+ ATOM 341 CE LYS A 44 62.139 8.676 3.663 1.00 0.00 C
343
+ ATOM 342 NZ LYS A 44 60.880 8.973 4.410 1.00 0.00 N
344
+ ATOM 343 N PRO A 45 66.031 6.935 -0.344 1.00 0.00 N
345
+ ATOM 344 CA PRO A 45 66.496 5.551 -0.226 1.00 0.00 C
346
+ ATOM 345 C PRO A 45 65.638 4.720 0.725 1.00 0.00 C
347
+ ATOM 346 CB PRO A 45 67.920 5.702 0.314 1.00 0.00 C
348
+ ATOM 347 O PRO A 45 65.041 5.263 1.658 1.00 0.00 O
349
+ ATOM 348 CG PRO A 45 68.319 7.096 -0.045 1.00 0.00 C
350
+ ATOM 349 CD PRO A 45 67.088 7.956 -0.063 1.00 0.00 C
351
+ ATOM 350 N PHE A 46 65.498 3.463 0.429 1.00 0.00 N
352
+ ATOM 351 CA PHE A 46 64.808 2.476 1.251 1.00 0.00 C
353
+ ATOM 352 C PHE A 46 65.764 1.844 2.255 1.00 0.00 C
354
+ ATOM 353 CB PHE A 46 64.176 1.390 0.373 1.00 0.00 C
355
+ ATOM 354 O PHE A 46 66.897 1.502 1.912 1.00 0.00 O
356
+ ATOM 355 CG PHE A 46 63.412 0.352 1.148 1.00 0.00 C
357
+ ATOM 356 CD1 PHE A 46 62.205 0.670 1.759 1.00 0.00 C
358
+ ATOM 357 CD2 PHE A 46 63.899 -0.943 1.265 1.00 0.00 C
359
+ ATOM 358 CE1 PHE A 46 61.494 -0.290 2.477 1.00 0.00 C
360
+ ATOM 359 CE2 PHE A 46 63.194 -1.907 1.981 1.00 0.00 C
361
+ ATOM 360 CZ PHE A 46 61.993 -1.578 2.587 1.00 0.00 C
362
+ ATOM 361 N LYS A 47 65.342 1.813 3.536 1.00 0.00 N
363
+ ATOM 362 CA LYS A 47 66.150 1.231 4.603 1.00 0.00 C
364
+ ATOM 363 C LYS A 47 65.469 0.003 5.200 1.00 0.00 C
365
+ ATOM 364 CB LYS A 47 66.421 2.264 5.697 1.00 0.00 C
366
+ ATOM 365 O LYS A 47 64.257 0.006 5.426 1.00 0.00 O
367
+ ATOM 366 CG LYS A 47 67.154 3.504 5.209 1.00 0.00 C
368
+ ATOM 367 CD LYS A 47 67.515 4.430 6.363 1.00 0.00 C
369
+ ATOM 368 CE LYS A 47 68.249 5.673 5.876 1.00 0.00 C
370
+ ATOM 369 NZ LYS A 47 68.809 6.466 7.011 1.00 0.00 N
371
+ ATOM 370 N PHE A 48 66.215 -1.044 5.451 1.00 0.00 N
372
+ ATOM 371 CA PHE A 48 65.708 -2.217 6.152 1.00 0.00 C
373
+ ATOM 372 C PHE A 48 66.820 -2.899 6.940 1.00 0.00 C
374
+ ATOM 373 CB PHE A 48 65.082 -3.207 5.164 1.00 0.00 C
375
+ ATOM 374 O PHE A 48 67.997 -2.776 6.596 1.00 0.00 O
376
+ ATOM 375 CG PHE A 48 66.086 -3.903 4.285 1.00 0.00 C
377
+ ATOM 376 CD1 PHE A 48 66.539 -3.305 3.116 1.00 0.00 C
378
+ ATOM 377 CD2 PHE A 48 66.575 -5.157 4.628 1.00 0.00 C
379
+ ATOM 378 CE1 PHE A 48 67.468 -3.947 2.300 1.00 0.00 C
380
+ ATOM 379 CE2 PHE A 48 67.502 -5.805 3.817 1.00 0.00 C
381
+ ATOM 380 CZ PHE A 48 67.947 -5.199 2.653 1.00 0.00 C
382
+ ATOM 381 N MET A 49 66.439 -3.535 7.988 1.00 0.00 N
383
+ ATOM 382 CA MET A 49 67.391 -4.290 8.799 1.00 0.00 C
384
+ ATOM 383 C MET A 49 67.460 -5.743 8.344 1.00 0.00 C
385
+ ATOM 384 CB MET A 49 67.010 -4.223 10.278 1.00 0.00 C
386
+ ATOM 385 O MET A 49 66.438 -6.428 8.280 1.00 0.00 O
387
+ ATOM 386 CG MET A 49 68.088 -4.745 11.214 1.00 0.00 C
388
+ ATOM 387 SD MET A 49 67.653 -4.523 12.983 1.00 0.00 S
389
+ ATOM 388 CE MET A 49 67.955 -2.744 13.166 1.00 0.00 C
390
+ ATOM 389 N LEU A 50 68.667 -6.149 8.017 1.00 0.00 N
391
+ ATOM 390 CA LEU A 50 68.858 -7.518 7.550 1.00 0.00 C
392
+ ATOM 391 C LEU A 50 68.600 -8.517 8.673 1.00 0.00 C
393
+ ATOM 392 CB LEU A 50 70.276 -7.703 7.002 1.00 0.00 C
394
+ ATOM 393 O LEU A 50 69.085 -8.338 9.793 1.00 0.00 O
395
+ ATOM 394 CG LEU A 50 70.524 -8.969 6.180 1.00 0.00 C
396
+ ATOM 395 CD1 LEU A 50 69.776 -8.894 4.854 1.00 0.00 C
397
+ ATOM 396 CD2 LEU A 50 72.017 -9.170 5.946 1.00 0.00 C
398
+ ATOM 397 N GLY A 51 67.914 -9.588 8.385 1.00 0.00 N
399
+ ATOM 398 CA GLY A 51 67.697 -10.675 9.326 1.00 0.00 C
400
+ ATOM 399 C GLY A 51 66.478 -10.466 10.205 1.00 0.00 C
401
+ ATOM 400 O GLY A 51 66.180 -11.295 11.069 1.00 0.00 O
402
+ ATOM 401 N LYS A 52 65.788 -9.389 9.977 1.00 0.00 N
403
+ ATOM 402 CA LYS A 52 64.630 -9.102 10.819 1.00 0.00 C
404
+ ATOM 403 C LYS A 52 63.327 -9.366 10.071 1.00 0.00 C
405
+ ATOM 404 CB LYS A 52 64.669 -7.654 11.310 1.00 0.00 C
406
+ ATOM 405 O LYS A 52 62.247 -9.004 10.545 1.00 0.00 O
407
+ ATOM 406 CG LYS A 52 65.780 -7.368 12.309 1.00 0.00 C
408
+ ATOM 407 CD LYS A 52 65.551 -8.101 13.624 1.00 0.00 C
409
+ ATOM 408 CE LYS A 52 66.612 -7.743 14.656 1.00 0.00 C
410
+ ATOM 409 NZ LYS A 52 66.443 -8.522 15.919 1.00 0.00 N
411
+ ATOM 410 N GLN A 53 63.483 -9.973 8.865 1.00 0.00 N
412
+ ATOM 411 CA GLN A 53 62.321 -10.325 8.055 1.00 0.00 C
413
+ ATOM 412 C GLN A 53 61.459 -9.099 7.768 1.00 0.00 C
414
+ ATOM 413 CB GLN A 53 61.486 -11.402 8.751 1.00 0.00 C
415
+ ATOM 414 O GLN A 53 60.230 -9.189 7.744 1.00 0.00 O
416
+ ATOM 415 CG GLN A 53 62.203 -12.738 8.895 1.00 0.00 C
417
+ ATOM 416 CD GLN A 53 61.327 -13.809 9.518 1.00 0.00 C
418
+ ATOM 417 NE2 GLN A 53 61.955 -14.856 10.043 1.00 0.00 N
419
+ ATOM 418 OE1 GLN A 53 60.097 -13.696 9.529 1.00 0.00 O
420
+ ATOM 419 N GLU A 54 62.062 -7.928 7.598 1.00 0.00 N
421
+ ATOM 420 CA GLU A 54 61.359 -6.692 7.262 1.00 0.00 C
422
+ ATOM 421 C GLU A 54 61.019 -6.637 5.776 1.00 0.00 C
423
+ ATOM 422 CB GLU A 54 62.197 -5.473 7.655 1.00 0.00 C
424
+ ATOM 423 O GLU A 54 60.188 -5.831 5.353 1.00 0.00 O
425
+ ATOM 424 CG GLU A 54 62.381 -5.312 9.157 1.00 0.00 C
426
+ ATOM 425 CD GLU A 54 63.232 -4.109 9.532 1.00 0.00 C
427
+ ATOM 426 OE1 GLU A 54 63.907 -3.543 8.643 1.00 0.00 O
428
+ ATOM 427 OE2 GLU A 54 63.224 -3.730 10.725 1.00 0.00 O
429
+ ATOM 428 N VAL A 55 61.653 -7.507 5.008 1.00 0.00 N
430
+ ATOM 429 CA VAL A 55 61.463 -7.561 3.562 1.00 0.00 C
431
+ ATOM 430 C VAL A 55 61.244 -9.008 3.124 1.00 0.00 C
432
+ ATOM 431 CB VAL A 55 62.667 -6.952 2.809 1.00 0.00 C
433
+ ATOM 432 O VAL A 55 61.444 -9.938 3.909 1.00 0.00 O
434
+ ATOM 433 CG1 VAL A 55 62.779 -5.455 3.091 1.00 0.00 C
435
+ ATOM 434 CG2 VAL A 55 63.958 -7.671 3.196 1.00 0.00 C
436
+ ATOM 435 N ILE A 56 60.744 -9.144 1.848 1.00 0.00 N
437
+ ATOM 436 CA ILE A 56 60.517 -10.491 1.337 1.00 0.00 C
438
+ ATOM 437 C ILE A 56 61.813 -11.295 1.407 1.00 0.00 C
439
+ ATOM 438 CB ILE A 56 59.979 -10.465 -0.110 1.00 0.00 C
440
+ ATOM 439 O ILE A 56 62.906 -10.723 1.412 1.00 0.00 O
441
+ ATOM 440 CG1 ILE A 56 60.943 -9.698 -1.024 1.00 0.00 C
442
+ ATOM 441 CG2 ILE A 56 58.577 -9.851 -0.155 1.00 0.00 C
443
+ ATOM 442 CD1 ILE A 56 60.547 -9.714 -2.494 1.00 0.00 C
444
+ ATOM 443 N ARG A 57 61.706 -12.555 1.529 1.00 0.00 N
445
+ ATOM 444 CA ARG A 57 62.837 -13.465 1.674 1.00 0.00 C
446
+ ATOM 445 C ARG A 57 63.874 -13.229 0.581 1.00 0.00 C
447
+ ATOM 446 CB ARG A 57 62.365 -14.920 1.643 1.00 0.00 C
448
+ ATOM 447 O ARG A 57 65.079 -13.281 0.838 1.00 0.00 O
449
+ ATOM 448 CG ARG A 57 63.472 -15.932 1.893 1.00 0.00 C
450
+ ATOM 449 CD ARG A 57 62.922 -17.346 2.032 1.00 0.00 C
451
+ ATOM 450 NE ARG A 57 63.991 -18.324 2.214 1.00 0.00 N
452
+ ATOM 451 NH1 ARG A 57 62.579 -20.148 2.351 1.00 0.00 N
453
+ ATOM 452 NH2 ARG A 57 64.848 -20.432 2.520 1.00 0.00 N
454
+ ATOM 453 CZ ARG A 57 63.804 -19.632 2.362 1.00 0.00 C
455
+ ATOM 454 N GLY A 58 63.500 -13.058 -0.678 1.00 0.00 N
456
+ ATOM 455 CA GLY A 58 64.405 -12.805 -1.788 1.00 0.00 C
457
+ ATOM 456 C GLY A 58 65.319 -11.617 -1.554 1.00 0.00 C
458
+ ATOM 457 O GLY A 58 66.484 -11.636 -1.953 1.00 0.00 O
459
+ ATOM 458 N TRP A 59 64.793 -10.532 -0.899 1.00 0.00 N
460
+ ATOM 459 CA TRP A 59 65.597 -9.371 -0.532 1.00 0.00 C
461
+ ATOM 460 C TRP A 59 66.588 -9.721 0.573 1.00 0.00 C
462
+ ATOM 461 CB TRP A 59 64.698 -8.216 -0.082 1.00 0.00 C
463
+ ATOM 462 O TRP A 59 67.763 -9.354 0.500 1.00 0.00 O
464
+ ATOM 463 CG TRP A 59 64.253 -7.319 -1.198 1.00 0.00 C
465
+ ATOM 464 CD1 TRP A 59 63.435 -7.649 -2.243 1.00 0.00 C
466
+ ATOM 465 CD2 TRP A 59 64.607 -5.945 -1.384 1.00 0.00 C
467
+ ATOM 466 CE2 TRP A 59 63.966 -5.503 -2.562 1.00 0.00 C
468
+ ATOM 467 CE3 TRP A 59 65.405 -5.043 -0.666 1.00 0.00 C
469
+ ATOM 468 NE1 TRP A 59 63.258 -6.561 -3.066 1.00 0.00 N
470
+ ATOM 469 CH2 TRP A 59 64.884 -3.336 -2.318 1.00 0.00 C
471
+ ATOM 470 CZ2 TRP A 59 64.098 -4.197 -3.040 1.00 0.00 C
472
+ ATOM 471 CZ3 TRP A 59 65.534 -3.744 -1.142 1.00 0.00 C
473
+ ATOM 472 N GLU A 60 66.158 -10.449 1.552 1.00 0.00 N
474
+ ATOM 473 CA GLU A 60 67.039 -10.821 2.655 1.00 0.00 C
475
+ ATOM 474 C GLU A 60 68.256 -11.593 2.154 1.00 0.00 C
476
+ ATOM 475 CB GLU A 60 66.280 -11.651 3.693 1.00 0.00 C
477
+ ATOM 476 O GLU A 60 69.390 -11.282 2.521 1.00 0.00 O
478
+ ATOM 477 CG GLU A 60 65.309 -10.840 4.538 1.00 0.00 C
479
+ ATOM 478 CD GLU A 60 65.915 -10.346 5.842 1.00 0.00 C
480
+ ATOM 479 OE1 GLU A 60 67.006 -10.824 6.223 1.00 0.00 O
481
+ ATOM 480 OE2 GLU A 60 65.293 -9.471 6.485 1.00 0.00 O
482
+ ATOM 481 N GLU A 61 68.006 -12.512 1.293 1.00 0.00 N
483
+ ATOM 482 CA GLU A 61 69.087 -13.359 0.799 1.00 0.00 C
484
+ ATOM 483 C GLU A 61 69.881 -12.657 -0.299 1.00 0.00 C
485
+ ATOM 484 CB GLU A 61 68.534 -14.689 0.280 1.00 0.00 C
486
+ ATOM 485 O GLU A 61 71.107 -12.770 -0.353 1.00 0.00 O
487
+ ATOM 486 CG GLU A 61 67.987 -15.596 1.372 1.00 0.00 C
488
+ ATOM 487 CD GLU A 61 67.614 -16.981 0.870 1.00 0.00 C
489
+ ATOM 488 OE1 GLU A 61 68.095 -17.385 -0.213 1.00 0.00 O
490
+ ATOM 489 OE2 GLU A 61 66.833 -17.669 1.565 1.00 0.00 O
491
+ ATOM 490 N GLY A 62 69.204 -12.005 -1.174 1.00 0.00 N
492
+ ATOM 491 CA GLY A 62 69.869 -11.356 -2.293 1.00 0.00 C
493
+ ATOM 492 C GLY A 62 70.796 -10.234 -1.867 1.00 0.00 C
494
+ ATOM 493 O GLY A 62 71.960 -10.196 -2.272 1.00 0.00 O
495
+ ATOM 494 N VAL A 63 70.313 -9.284 -1.011 1.00 0.00 N
496
+ ATOM 495 CA VAL A 63 71.097 -8.120 -0.614 1.00 0.00 C
497
+ ATOM 496 C VAL A 63 72.272 -8.560 0.257 1.00 0.00 C
498
+ ATOM 497 CB VAL A 63 70.234 -7.084 0.140 1.00 0.00 C
499
+ ATOM 498 O VAL A 63 73.341 -7.946 0.225 1.00 0.00 O
500
+ ATOM 499 CG1 VAL A 63 71.104 -5.962 0.703 1.00 0.00 C
501
+ ATOM 500 CG2 VAL A 63 69.154 -6.518 -0.780 1.00 0.00 C
502
+ ATOM 501 N ALA A 64 72.124 -9.645 0.949 1.00 0.00 N
503
+ ATOM 502 CA ALA A 64 73.204 -10.174 1.779 1.00 0.00 C
504
+ ATOM 503 C ALA A 64 74.418 -10.541 0.932 1.00 0.00 C
505
+ ATOM 504 CB ALA A 64 72.721 -11.390 2.567 1.00 0.00 C
506
+ ATOM 505 O ALA A 64 75.539 -10.612 1.440 1.00 0.00 O
507
+ ATOM 506 N GLN A 65 74.213 -10.803 -0.316 1.00 0.00 N
508
+ ATOM 507 CA GLN A 65 75.285 -11.228 -1.211 1.00 0.00 C
509
+ ATOM 508 C GLN A 65 75.983 -10.027 -1.843 1.00 0.00 C
510
+ ATOM 509 CB GLN A 65 74.740 -12.152 -2.301 1.00 0.00 C
511
+ ATOM 510 O GLN A 65 76.989 -10.182 -2.538 1.00 0.00 O
512
+ ATOM 511 CG GLN A 65 74.169 -13.460 -1.771 1.00 0.00 C
513
+ ATOM 512 CD GLN A 65 73.507 -14.294 -2.851 1.00 0.00 C
514
+ ATOM 513 NE2 GLN A 65 72.364 -14.886 -2.526 1.00 0.00 N
515
+ ATOM 514 OE1 GLN A 65 74.018 -14.402 -3.970 1.00 0.00 O
516
+ ATOM 515 N MET A 66 75.444 -8.859 -1.677 1.00 0.00 N
517
+ ATOM 516 CA MET A 66 75.938 -7.662 -2.351 1.00 0.00 C
518
+ ATOM 517 C MET A 66 76.933 -6.914 -1.472 1.00 0.00 C
519
+ ATOM 518 CB MET A 66 74.778 -6.741 -2.729 1.00 0.00 C
520
+ ATOM 519 O MET A 66 76.740 -6.808 -0.259 1.00 0.00 O
521
+ ATOM 520 CG MET A 66 73.794 -7.363 -3.708 1.00 0.00 C
522
+ ATOM 521 SD MET A 66 72.305 -6.322 -3.967 1.00 0.00 S
523
+ ATOM 522 CE MET A 66 73.066 -4.858 -4.721 1.00 0.00 C
524
+ ATOM 523 N SER A 67 77.983 -6.464 -2.095 1.00 0.00 N
525
+ ATOM 524 CA SER A 67 78.900 -5.601 -1.356 1.00 0.00 C
526
+ ATOM 525 C SER A 67 78.506 -4.135 -1.488 1.00 0.00 C
527
+ ATOM 526 CB SER A 67 80.335 -5.799 -1.847 1.00 0.00 C
528
+ ATOM 527 O SER A 67 77.827 -3.752 -2.443 1.00 0.00 O
529
+ ATOM 528 OG SER A 67 80.452 -5.442 -3.214 1.00 0.00 O
530
+ ATOM 529 N VAL A 68 78.903 -3.332 -0.579 1.00 0.00 N
531
+ ATOM 530 CA VAL A 68 78.571 -1.911 -0.589 1.00 0.00 C
532
+ ATOM 531 C VAL A 68 78.997 -1.290 -1.917 1.00 0.00 C
533
+ ATOM 532 CB VAL A 68 79.237 -1.165 0.587 1.00 0.00 C
534
+ ATOM 533 O VAL A 68 80.108 -1.532 -2.395 1.00 0.00 O
535
+ ATOM 534 CG1 VAL A 68 79.124 0.348 0.401 1.00 0.00 C
536
+ ATOM 535 CG2 VAL A 68 78.612 -1.591 1.913 1.00 0.00 C
537
+ ATOM 536 N GLY A 69 78.146 -0.547 -2.488 1.00 0.00 N
538
+ ATOM 537 CA GLY A 69 78.418 0.101 -3.762 1.00 0.00 C
539
+ ATOM 538 C GLY A 69 77.985 -0.728 -4.957 1.00 0.00 C
540
+ ATOM 539 O GLY A 69 77.999 -0.245 -6.091 1.00 0.00 O
541
+ ATOM 540 N GLN A 70 77.625 -1.950 -4.670 1.00 0.00 N
542
+ ATOM 541 CA GLN A 70 77.234 -2.831 -5.765 1.00 0.00 C
543
+ ATOM 542 C GLN A 70 75.824 -2.510 -6.252 1.00 0.00 C
544
+ ATOM 543 CB GLN A 70 77.320 -4.296 -5.334 1.00 0.00 C
545
+ ATOM 544 O GLN A 70 74.941 -2.199 -5.451 1.00 0.00 O
546
+ ATOM 545 CG GLN A 70 77.035 -5.285 -6.457 1.00 0.00 C
547
+ ATOM 546 CD GLN A 70 77.230 -6.728 -6.030 1.00 0.00 C
548
+ ATOM 547 NE2 GLN A 70 76.578 -7.647 -6.734 1.00 0.00 N
549
+ ATOM 548 OE1 GLN A 70 77.960 -7.014 -5.076 1.00 0.00 O
550
+ ATOM 549 N ARG A 71 75.672 -2.519 -7.536 1.00 0.00 N
551
+ ATOM 550 CA ARG A 71 74.367 -2.527 -8.191 1.00 0.00 C
552
+ ATOM 551 C ARG A 71 74.096 -3.872 -8.855 1.00 0.00 C
553
+ ATOM 552 CB ARG A 71 74.278 -1.404 -9.225 1.00 0.00 C
554
+ ATOM 553 O ARG A 71 74.932 -4.381 -9.604 1.00 0.00 O
555
+ ATOM 554 CG ARG A 71 72.904 -1.259 -9.861 1.00 0.00 C
556
+ ATOM 555 CD ARG A 71 72.846 -0.071 -10.813 1.00 0.00 C
557
+ ATOM 556 NE ARG A 71 71.560 0.004 -11.502 1.00 0.00 N
558
+ ATOM 557 NH1 ARG A 71 72.253 1.563 -13.060 1.00 0.00 N
559
+ ATOM 558 NH2 ARG A 71 70.103 0.769 -13.102 1.00 0.00 N
560
+ ATOM 559 CZ ARG A 71 71.308 0.778 -12.553 1.00 0.00 C
561
+ ATOM 560 N ALA A 72 72.894 -4.434 -8.575 1.00 0.00 N
562
+ ATOM 561 CA ALA A 72 72.619 -5.789 -9.047 1.00 0.00 C
563
+ ATOM 562 C ALA A 72 71.153 -5.946 -9.439 1.00 0.00 C
564
+ ATOM 563 CB ALA A 72 72.992 -6.811 -7.976 1.00 0.00 C
565
+ ATOM 564 O ALA A 72 70.285 -5.242 -8.915 1.00 0.00 O
566
+ ATOM 565 N LYS A 73 70.925 -6.832 -10.378 1.00 0.00 N
567
+ ATOM 566 CA LYS A 73 69.587 -7.317 -10.704 1.00 0.00 C
568
+ ATOM 567 C LYS A 73 69.233 -8.552 -9.879 1.00 0.00 C
569
+ ATOM 568 CB LYS A 73 69.481 -7.637 -12.196 1.00 0.00 C
570
+ ATOM 569 O LYS A 73 69.939 -9.560 -9.928 1.00 0.00 O
571
+ ATOM 570 CG LYS A 73 68.089 -8.063 -12.640 1.00 0.00 C
572
+ ATOM 571 CD LYS A 73 68.045 -8.356 -14.134 1.00 0.00 C
573
+ ATOM 572 CE LYS A 73 66.722 -8.991 -14.542 1.00 0.00 C
574
+ ATOM 573 NZ LYS A 73 66.726 -9.410 -15.976 1.00 0.00 N
575
+ ATOM 574 N LEU A 74 68.211 -8.424 -9.103 1.00 0.00 N
576
+ ATOM 575 CA LEU A 74 67.662 -9.555 -8.365 1.00 0.00 C
577
+ ATOM 576 C LEU A 74 66.439 -10.126 -9.075 1.00 0.00 C
578
+ ATOM 577 CB LEU A 74 67.290 -9.136 -6.940 1.00 0.00 C
579
+ ATOM 578 O LEU A 74 65.480 -9.401 -9.350 1.00 0.00 O
580
+ ATOM 579 CG LEU A 74 68.388 -8.448 -6.127 1.00 0.00 C
581
+ ATOM 580 CD1 LEU A 74 67.933 -8.248 -4.685 1.00 0.00 C
582
+ ATOM 581 CD2 LEU A 74 69.679 -9.259 -6.178 1.00 0.00 C
583
+ ATOM 582 N THR A 75 66.497 -11.374 -9.437 1.00 0.00 N
584
+ ATOM 583 CA THR A 75 65.324 -12.099 -9.910 1.00 0.00 C
585
+ ATOM 584 C THR A 75 64.819 -13.068 -8.845 1.00 0.00 C
586
+ ATOM 585 CB THR A 75 65.630 -12.871 -11.207 1.00 0.00 C
587
+ ATOM 586 O THR A 75 65.529 -14.000 -8.460 1.00 0.00 O
588
+ ATOM 587 CG2 THR A 75 64.368 -13.506 -11.781 1.00 0.00 C
589
+ ATOM 588 OG1 THR A 75 66.181 -11.971 -12.175 1.00 0.00 O
590
+ ATOM 589 N ILE A 76 63.623 -12.809 -8.390 1.00 0.00 N
591
+ ATOM 590 CA ILE A 76 63.099 -13.481 -7.205 1.00 0.00 C
592
+ ATOM 591 C ILE A 76 61.894 -14.337 -7.588 1.00 0.00 C
593
+ ATOM 592 CB ILE A 76 62.708 -12.467 -6.107 1.00 0.00 C
594
+ ATOM 593 O ILE A 76 60.916 -13.831 -8.143 1.00 0.00 O
595
+ ATOM 594 CG1 ILE A 76 63.912 -11.593 -5.734 1.00 0.00 C
596
+ ATOM 595 CG2 ILE A 76 62.155 -13.191 -4.876 1.00 0.00 C
597
+ ATOM 596 CD1 ILE A 76 63.584 -10.472 -4.759 1.00 0.00 C
598
+ ATOM 597 N SER A 77 61.993 -15.637 -7.239 1.00 0.00 N
599
+ ATOM 598 CA SER A 77 60.906 -16.570 -7.516 1.00 0.00 C
600
+ ATOM 599 C SER A 77 59.701 -16.295 -6.622 1.00 0.00 C
601
+ ATOM 600 CB SER A 77 61.375 -18.013 -7.324 1.00 0.00 C
602
+ ATOM 601 O SER A 77 59.845 -15.737 -5.532 1.00 0.00 O
603
+ ATOM 602 OG SER A 77 61.625 -18.282 -5.956 1.00 0.00 O
604
+ ATOM 603 N PRO A 78 58.554 -16.734 -7.015 1.00 0.00 N
605
+ ATOM 604 CA PRO A 78 57.331 -16.443 -6.262 1.00 0.00 C
606
+ ATOM 605 C PRO A 78 57.417 -16.887 -4.804 1.00 0.00 C
607
+ ATOM 606 CB PRO A 78 56.259 -17.237 -7.013 1.00 0.00 C
608
+ ATOM 607 O PRO A 78 56.964 -16.169 -3.909 1.00 0.00 O
609
+ ATOM 608 CG PRO A 78 56.743 -17.292 -8.425 1.00 0.00 C
610
+ ATOM 609 CD PRO A 78 58.240 -17.410 -8.412 1.00 0.00 C
611
+ ATOM 610 N ASP A 79 58.033 -17.995 -4.565 1.00 0.00 N
612
+ ATOM 611 CA ASP A 79 58.072 -18.517 -3.202 1.00 0.00 C
613
+ ATOM 612 C ASP A 79 58.996 -17.681 -2.320 1.00 0.00 C
614
+ ATOM 613 CB ASP A 79 58.523 -19.979 -3.200 1.00 0.00 C
615
+ ATOM 614 O ASP A 79 58.896 -17.724 -1.092 1.00 0.00 O
616
+ ATOM 615 CG ASP A 79 57.521 -20.910 -3.860 1.00 0.00 C
617
+ ATOM 616 OD1 ASP A 79 56.307 -20.614 -3.838 1.00 0.00 O
618
+ ATOM 617 OD2 ASP A 79 57.950 -21.951 -4.405 1.00 0.00 O
619
+ ATOM 618 N TYR A 80 59.854 -16.898 -2.857 1.00 0.00 N
620
+ ATOM 619 CA TYR A 80 60.741 -16.008 -2.116 1.00 0.00 C
621
+ ATOM 620 C TYR A 80 60.212 -14.578 -2.127 1.00 0.00 C
622
+ ATOM 621 CB TYR A 80 62.155 -16.046 -2.704 1.00 0.00 C
623
+ ATOM 622 O TYR A 80 60.859 -13.666 -1.606 1.00 0.00 O
624
+ ATOM 623 CG TYR A 80 62.994 -17.192 -2.193 1.00 0.00 C
625
+ ATOM 624 CD1 TYR A 80 64.274 -16.975 -1.690 1.00 0.00 C
626
+ ATOM 625 CD2 TYR A 80 62.507 -18.495 -2.213 1.00 0.00 C
627
+ ATOM 626 CE1 TYR A 80 65.052 -18.028 -1.222 1.00 0.00 C
628
+ ATOM 627 CE2 TYR A 80 63.276 -19.556 -1.746 1.00 0.00 C
629
+ ATOM 628 OH TYR A 80 65.310 -20.360 -0.789 1.00 0.00 O
630
+ ATOM 629 CZ TYR A 80 64.544 -19.313 -1.252 1.00 0.00 C
631
+ ATOM 630 N ALA A 81 59.030 -14.415 -2.771 1.00 0.00 N
632
+ ATOM 631 CA ALA A 81 58.391 -13.102 -2.844 1.00 0.00 C
633
+ ATOM 632 C ALA A 81 57.026 -13.118 -2.163 1.00 0.00 C
634
+ ATOM 633 CB ALA A 81 58.253 -12.659 -4.299 1.00 0.00 C
635
+ ATOM 634 O ALA A 81 56.935 -13.287 -0.944 1.00 0.00 O
636
+ ATOM 635 N TYR A 82 55.905 -12.987 -2.953 1.00 0.00 N
637
+ ATOM 636 CA TYR A 82 54.581 -12.878 -2.351 1.00 0.00 C
638
+ ATOM 637 C TYR A 82 53.763 -14.139 -2.598 1.00 0.00 C
639
+ ATOM 638 CB TYR A 82 53.839 -11.657 -2.903 1.00 0.00 C
640
+ ATOM 639 O TYR A 82 52.600 -14.221 -2.198 1.00 0.00 O
641
+ ATOM 640 CG TYR A 82 54.488 -10.341 -2.551 1.00 0.00 C
642
+ ATOM 641 CD1 TYR A 82 54.319 -9.774 -1.290 1.00 0.00 C
643
+ ATOM 642 CD2 TYR A 82 55.271 -9.662 -3.478 1.00 0.00 C
644
+ ATOM 643 CE1 TYR A 82 54.914 -8.560 -0.962 1.00 0.00 C
645
+ ATOM 644 CE2 TYR A 82 55.871 -8.447 -3.162 1.00 0.00 C
646
+ ATOM 645 OH TYR A 82 56.278 -6.704 -1.584 1.00 0.00 O
647
+ ATOM 646 CZ TYR A 82 55.687 -7.906 -1.903 1.00 0.00 C
648
+ ATOM 647 N GLY A 83 54.405 -15.141 -3.119 1.00 0.00 N
649
+ ATOM 648 CA GLY A 83 53.886 -16.492 -3.261 1.00 0.00 C
650
+ ATOM 649 C GLY A 83 52.531 -16.543 -3.941 1.00 0.00 C
651
+ ATOM 650 O GLY A 83 52.290 -15.819 -4.910 1.00 0.00 O
652
+ ATOM 651 N ALA A 84 51.617 -17.377 -3.472 1.00 0.00 N
653
+ ATOM 652 CA ALA A 84 50.326 -17.697 -4.075 1.00 0.00 C
654
+ ATOM 653 C ALA A 84 49.320 -16.573 -3.846 1.00 0.00 C
655
+ ATOM 654 CB ALA A 84 49.788 -19.012 -3.517 1.00 0.00 C
656
+ ATOM 655 O ALA A 84 48.389 -16.394 -4.634 1.00 0.00 O
657
+ ATOM 656 N THR A 85 49.502 -15.792 -2.888 1.00 0.00 N
658
+ ATOM 657 CA THR A 85 48.537 -14.758 -2.534 1.00 0.00 C
659
+ ATOM 658 C THR A 85 48.828 -13.465 -3.291 1.00 0.00 C
660
+ ATOM 659 CB THR A 85 48.545 -14.481 -1.019 1.00 0.00 C
661
+ ATOM 660 O THR A 85 47.907 -12.726 -3.647 1.00 0.00 O
662
+ ATOM 661 CG2 THR A 85 47.417 -13.533 -0.627 1.00 0.00 C
663
+ ATOM 662 OG1 THR A 85 48.382 -15.717 -0.313 1.00 0.00 O
664
+ ATOM 663 N GLY A 86 50.135 -13.287 -3.597 1.00 0.00 N
665
+ ATOM 664 CA GLY A 86 50.514 -12.001 -4.160 1.00 0.00 C
666
+ ATOM 665 C GLY A 86 50.331 -10.849 -3.191 1.00 0.00 C
667
+ ATOM 666 O GLY A 86 50.316 -11.049 -1.975 1.00 0.00 O
668
+ ATOM 667 N HIS A 87 50.390 -9.653 -3.677 1.00 0.00 N
669
+ ATOM 668 CA HIS A 87 50.051 -8.418 -2.977 1.00 0.00 C
670
+ ATOM 669 C HIS A 87 48.917 -7.681 -3.682 1.00 0.00 C
671
+ ATOM 670 CB HIS A 87 51.277 -7.512 -2.866 1.00 0.00 C
672
+ ATOM 671 O HIS A 87 49.089 -7.191 -4.801 1.00 0.00 O
673
+ ATOM 672 CG HIS A 87 51.108 -6.389 -1.891 1.00 0.00 C
674
+ ATOM 673 CD2 HIS A 87 51.790 -6.082 -0.762 1.00 0.00 C
675
+ ATOM 674 ND1 HIS A 87 50.133 -5.426 -2.028 1.00 0.00 N
676
+ ATOM 675 CE1 HIS A 87 50.223 -4.571 -1.023 1.00 0.00 C
677
+ ATOM 676 NE2 HIS A 87 51.220 -4.947 -0.241 1.00 0.00 N
678
+ ATOM 677 N PRO A 88 47.707 -7.678 -3.006 1.00 0.00 N
679
+ ATOM 678 CA PRO A 88 46.498 -7.227 -3.701 1.00 0.00 C
680
+ ATOM 679 C PRO A 88 46.674 -5.864 -4.365 1.00 0.00 C
681
+ ATOM 680 CB PRO A 88 45.453 -7.161 -2.585 1.00 0.00 C
682
+ ATOM 681 O PRO A 88 47.123 -4.913 -3.722 1.00 0.00 O
683
+ ATOM 682 CG PRO A 88 45.929 -8.136 -1.557 1.00 0.00 C
684
+ ATOM 683 CD PRO A 88 47.429 -8.187 -1.607 1.00 0.00 C
685
+ ATOM 684 N GLY A 89 46.402 -5.814 -5.582 1.00 0.00 N
686
+ ATOM 685 CA GLY A 89 46.394 -4.571 -6.339 1.00 0.00 C
687
+ ATOM 686 C GLY A 89 47.745 -4.228 -6.937 1.00 0.00 C
688
+ ATOM 687 O GLY A 89 47.850 -3.326 -7.771 1.00 0.00 O
689
+ ATOM 688 N ILE A 90 48.756 -5.010 -6.508 1.00 0.00 N
690
+ ATOM 689 CA ILE A 90 50.072 -4.576 -6.965 1.00 0.00 C
691
+ ATOM 690 C ILE A 90 50.829 -5.761 -7.560 1.00 0.00 C
692
+ ATOM 691 CB ILE A 90 50.888 -3.938 -5.818 1.00 0.00 C
693
+ ATOM 692 O ILE A 90 51.266 -5.712 -8.712 1.00 0.00 O
694
+ ATOM 693 CG1 ILE A 90 50.133 -2.742 -5.227 1.00 0.00 C
695
+ ATOM 694 CG2 ILE A 90 52.276 -3.521 -6.311 1.00 0.00 C
696
+ ATOM 695 CD1 ILE A 90 50.792 -2.145 -3.992 1.00 0.00 C
697
+ ATOM 696 N ILE A 91 50.929 -6.804 -6.811 1.00 0.00 N
698
+ ATOM 697 CA ILE A 91 51.681 -7.980 -7.235 1.00 0.00 C
699
+ ATOM 698 C ILE A 91 50.725 -9.149 -7.464 1.00 0.00 C
700
+ ATOM 699 CB ILE A 91 52.761 -8.365 -6.199 1.00 0.00 C
701
+ ATOM 700 O ILE A 91 50.072 -9.617 -6.527 1.00 0.00 O
702
+ ATOM 701 CG1 ILE A 91 53.613 -7.143 -5.837 1.00 0.00 C
703
+ ATOM 702 CG2 ILE A 91 53.635 -9.505 -6.729 1.00 0.00 C
704
+ ATOM 703 CD1 ILE A 91 54.287 -6.483 -7.032 1.00 0.00 C
705
+ ATOM 704 N PRO A 92 50.540 -9.652 -8.643 1.00 0.00 N
706
+ ATOM 705 CA PRO A 92 49.689 -10.820 -8.882 1.00 0.00 C
707
+ ATOM 706 C PRO A 92 50.211 -12.080 -8.196 1.00 0.00 C
708
+ ATOM 707 CB PRO A 92 49.723 -10.974 -10.405 1.00 0.00 C
709
+ ATOM 708 O PRO A 92 51.397 -12.162 -7.865 1.00 0.00 O
710
+ ATOM 709 CG PRO A 92 50.273 -9.679 -10.908 1.00 0.00 C
711
+ ATOM 710 CD PRO A 92 51.128 -9.073 -9.832 1.00 0.00 C
712
+ ATOM 711 N PRO A 93 49.330 -13.018 -8.039 1.00 0.00 N
713
+ ATOM 712 CA PRO A 93 49.777 -14.316 -7.526 1.00 0.00 C
714
+ ATOM 713 C PRO A 93 50.836 -14.967 -8.412 1.00 0.00 C
715
+ ATOM 714 CB PRO A 93 48.492 -15.149 -7.508 1.00 0.00 C
716
+ ATOM 715 O PRO A 93 50.791 -14.830 -9.637 1.00 0.00 O
717
+ ATOM 716 CG PRO A 93 47.387 -14.145 -7.437 1.00 0.00 C
718
+ ATOM 717 CD PRO A 93 47.813 -12.913 -8.181 1.00 0.00 C
719
+ ATOM 718 N HIS A 94 51.821 -15.663 -7.741 1.00 0.00 N
720
+ ATOM 719 CA HIS A 94 52.841 -16.493 -8.371 1.00 0.00 C
721
+ ATOM 720 C HIS A 94 53.738 -15.666 -9.286 1.00 0.00 C
722
+ ATOM 721 CB HIS A 94 52.191 -17.631 -9.163 1.00 0.00 C
723
+ ATOM 722 O HIS A 94 54.288 -16.186 -10.259 1.00 0.00 O
724
+ ATOM 723 CG HIS A 94 51.429 -18.595 -8.312 1.00 0.00 C
725
+ ATOM 724 CD2 HIS A 94 50.099 -18.828 -8.205 1.00 0.00 C
726
+ ATOM 725 ND1 HIS A 94 52.044 -19.459 -7.431 1.00 0.00 N
727
+ ATOM 726 CE1 HIS A 94 51.123 -20.185 -6.819 1.00 0.00 C
728
+ ATOM 727 NE2 HIS A 94 49.934 -19.821 -7.271 1.00 0.00 N
729
+ ATOM 728 N ALA A 95 53.817 -14.413 -8.952 1.00 0.00 N
730
+ ATOM 729 CA ALA A 95 54.620 -13.531 -9.796 1.00 0.00 C
731
+ ATOM 730 C ALA A 95 56.102 -13.642 -9.450 1.00 0.00 C
732
+ ATOM 731 CB ALA A 95 54.149 -12.086 -9.655 1.00 0.00 C
733
+ ATOM 732 O ALA A 95 56.466 -13.728 -8.275 1.00 0.00 O
734
+ ATOM 733 N THR A 96 56.906 -13.760 -10.446 1.00 0.00 N
735
+ ATOM 734 CA THR A 96 58.342 -13.529 -10.329 1.00 0.00 C
736
+ ATOM 735 C THR A 96 58.650 -12.034 -10.337 1.00 0.00 C
737
+ ATOM 736 CB THR A 96 59.115 -14.220 -11.467 1.00 0.00 C
738
+ ATOM 737 O THR A 96 58.155 -11.297 -11.192 1.00 0.00 O
739
+ ATOM 738 CG2 THR A 96 60.613 -13.966 -11.349 1.00 0.00 C
740
+ ATOM 739 OG1 THR A 96 58.874 -15.632 -11.410 1.00 0.00 O
741
+ ATOM 740 N LEU A 97 59.455 -11.608 -9.400 1.00 0.00 N
742
+ ATOM 741 CA LEU A 97 59.770 -10.190 -9.280 1.00 0.00 C
743
+ ATOM 742 C LEU A 97 61.213 -9.916 -9.691 1.00 0.00 C
744
+ ATOM 743 CB LEU A 97 59.535 -9.708 -7.846 1.00 0.00 C
745
+ ATOM 744 O LEU A 97 62.097 -10.745 -9.459 1.00 0.00 O
746
+ ATOM 745 CG LEU A 97 58.141 -9.953 -7.268 1.00 0.00 C
747
+ ATOM 746 CD1 LEU A 97 58.044 -9.384 -5.856 1.00 0.00 C
748
+ ATOM 747 CD2 LEU A 97 57.073 -9.344 -8.170 1.00 0.00 C
749
+ ATOM 748 N VAL A 98 61.415 -8.814 -10.304 1.00 0.00 N
750
+ ATOM 749 CA VAL A 98 62.741 -8.362 -10.713 1.00 0.00 C
751
+ ATOM 750 C VAL A 98 63.046 -7.009 -10.076 1.00 0.00 C
752
+ ATOM 751 CB VAL A 98 62.860 -8.267 -12.251 1.00 0.00 C
753
+ ATOM 752 O VAL A 98 62.252 -6.070 -10.189 1.00 0.00 O
754
+ ATOM 753 CG1 VAL A 98 64.251 -7.783 -12.657 1.00 0.00 C
755
+ ATOM 754 CG2 VAL A 98 62.552 -9.618 -12.894 1.00 0.00 C
756
+ ATOM 755 N PHE A 99 64.175 -6.978 -9.423 1.00 0.00 N
757
+ ATOM 756 CA PHE A 99 64.580 -5.728 -8.791 1.00 0.00 C
758
+ ATOM 757 C PHE A 99 65.943 -5.279 -9.303 1.00 0.00 C
759
+ ATOM 758 CB PHE A 99 64.616 -5.881 -7.267 1.00 0.00 C
760
+ ATOM 759 O PHE A 99 66.850 -6.096 -9.469 1.00 0.00 O
761
+ ATOM 760 CG PHE A 99 63.261 -6.101 -6.648 1.00 0.00 C
762
+ ATOM 761 CD1 PHE A 99 62.498 -5.025 -6.211 1.00 0.00 C
763
+ ATOM 762 CD2 PHE A 99 62.752 -7.385 -6.502 1.00 0.00 C
764
+ ATOM 763 CE1 PHE A 99 61.246 -5.226 -5.636 1.00 0.00 C
765
+ ATOM 764 CE2 PHE A 99 61.500 -7.594 -5.930 1.00 0.00 C
766
+ ATOM 765 CZ PHE A 99 60.750 -6.512 -5.497 1.00 0.00 C
767
+ ATOM 766 N ASP A 100 66.020 -4.054 -9.645 1.00 0.00 N
768
+ ATOM 767 CA ASP A 100 67.293 -3.347 -9.741 1.00 0.00 C
769
+ ATOM 768 C ASP A 100 67.664 -2.701 -8.407 1.00 0.00 C
770
+ ATOM 769 CB ASP A 100 67.236 -2.286 -10.842 1.00 0.00 C
771
+ ATOM 770 O ASP A 100 67.011 -1.753 -7.968 1.00 0.00 O
772
+ ATOM 771 CG ASP A 100 68.569 -1.594 -11.068 1.00 0.00 C
773
+ ATOM 772 OD1 ASP A 100 69.402 -1.555 -10.137 1.00 0.00 O
774
+ ATOM 773 OD2 ASP A 100 68.787 -1.082 -12.187 1.00 0.00 O
775
+ ATOM 774 N VAL A 101 68.739 -3.189 -7.804 1.00 0.00 N
776
+ ATOM 775 CA VAL A 101 69.050 -2.762 -6.444 1.00 0.00 C
777
+ ATOM 776 C VAL A 101 70.486 -2.243 -6.381 1.00 0.00 C
778
+ ATOM 777 CB VAL A 101 68.853 -3.909 -5.428 1.00 0.00 C
779
+ ATOM 778 O VAL A 101 71.397 -2.851 -6.946 1.00 0.00 O
780
+ ATOM 779 CG1 VAL A 101 69.184 -3.440 -4.012 1.00 0.00 C
781
+ ATOM 780 CG2 VAL A 101 67.425 -4.444 -5.499 1.00 0.00 C
782
+ ATOM 781 N GLU A 102 70.661 -1.170 -5.728 1.00 0.00 N
783
+ ATOM 782 CA GLU A 102 71.974 -0.621 -5.403 1.00 0.00 C
784
+ ATOM 783 C GLU A 102 72.157 -0.488 -3.894 1.00 0.00 C
785
+ ATOM 784 CB GLU A 102 72.172 0.737 -6.080 1.00 0.00 C
786
+ ATOM 785 O GLU A 102 71.402 0.228 -3.233 1.00 0.00 O
787
+ ATOM 786 CG GLU A 102 73.570 1.311 -5.908 1.00 0.00 C
788
+ ATOM 787 CD GLU A 102 73.754 2.657 -6.592 1.00 0.00 C
789
+ ATOM 788 OE1 GLU A 102 72.781 3.175 -7.184 1.00 0.00 O
790
+ ATOM 789 OE2 GLU A 102 74.882 3.196 -6.537 1.00 0.00 O
791
+ ATOM 790 N LEU A 103 73.129 -1.175 -3.380 1.00 0.00 N
792
+ ATOM 791 CA LEU A 103 73.448 -1.075 -1.958 1.00 0.00 C
793
+ ATOM 792 C LEU A 103 74.340 0.131 -1.685 1.00 0.00 C
794
+ ATOM 793 CB LEU A 103 74.134 -2.353 -1.472 1.00 0.00 C
795
+ ATOM 794 O LEU A 103 75.522 0.126 -2.036 1.00 0.00 O
796
+ ATOM 795 CG LEU A 103 74.556 -2.378 -0.002 1.00 0.00 C
797
+ ATOM 796 CD1 LEU A 103 73.346 -2.158 0.901 1.00 0.00 C
798
+ ATOM 797 CD2 LEU A 103 75.248 -3.694 0.335 1.00 0.00 C
799
+ ATOM 798 N LEU A 104 73.769 1.164 -1.040 1.00 0.00 N
800
+ ATOM 799 CA LEU A 104 74.469 2.434 -0.882 1.00 0.00 C
801
+ ATOM 800 C LEU A 104 75.415 2.387 0.314 1.00 0.00 C
802
+ ATOM 801 CB LEU A 104 73.468 3.580 -0.710 1.00 0.00 C
803
+ ATOM 802 O LEU A 104 76.585 2.761 0.199 1.00 0.00 O
804
+ ATOM 803 CG LEU A 104 72.439 3.752 -1.829 1.00 0.00 C
805
+ ATOM 804 CD1 LEU A 104 71.441 4.848 -1.465 1.00 0.00 C
806
+ ATOM 805 CD2 LEU A 104 73.131 4.070 -3.149 1.00 0.00 C
807
+ ATOM 806 N LYS A 105 74.962 1.947 1.355 1.00 0.00 N
808
+ ATOM 807 CA LYS A 105 75.761 1.877 2.573 1.00 0.00 C
809
+ ATOM 808 C LYS A 105 75.083 1.003 3.626 1.00 0.00 C
810
+ ATOM 809 CB LYS A 105 76.008 3.278 3.135 1.00 0.00 C
811
+ ATOM 810 O LYS A 105 73.955 0.549 3.430 1.00 0.00 O
812
+ ATOM 811 CG LYS A 105 74.744 4.004 3.567 1.00 0.00 C
813
+ ATOM 812 CD LYS A 105 75.054 5.387 4.124 1.00 0.00 C
814
+ ATOM 813 CE LYS A 105 73.791 6.104 4.580 1.00 0.00 C
815
+ ATOM 814 NZ LYS A 105 74.106 7.366 5.315 1.00 0.00 N
816
+ ATOM 815 N LEU A 106 75.816 0.714 4.669 1.00 0.00 N
817
+ ATOM 816 CA LEU A 106 75.344 -0.022 5.837 1.00 0.00 C
818
+ ATOM 817 C LEU A 106 75.362 0.861 7.079 1.00 0.00 C
819
+ ATOM 818 CB LEU A 106 76.204 -1.267 6.069 1.00 0.00 C
820
+ ATOM 819 O LEU A 106 76.262 1.687 7.247 1.00 0.00 O
821
+ ATOM 820 CG LEU A 106 76.337 -2.230 4.887 1.00 0.00 C
822
+ ATOM 821 CD1 LEU A 106 77.340 -3.331 5.212 1.00 0.00 C
823
+ ATOM 822 CD2 LEU A 106 74.980 -2.825 4.526 1.00 0.00 C
824
+ ATOM 823 N GLU A 107 74.282 0.558 7.849 1.00 0.00 N
825
+ ATOM 824 CA GLU A 107 74.180 1.290 9.108 1.00 0.00 C
826
+ ATOM 825 C GLU A 107 73.958 0.340 10.282 1.00 0.00 C
827
+ ATOM 826 CB GLU A 107 73.050 2.319 9.042 1.00 0.00 C
828
+ ATOM 827 O GLU A 107 73.308 -0.698 10.133 1.00 0.00 O
829
+ ATOM 828 CG GLU A 107 73.237 3.370 7.958 1.00 0.00 C
830
+ ATOM 829 CD GLU A 107 72.095 4.371 7.889 1.00 0.00 C
831
+ ATOM 830 OE1 GLU A 107 71.049 4.145 8.539 1.00 0.00 O
832
+ ATOM 831 OE2 GLU A 107 72.246 5.389 7.178 1.00 0.00 O
833
+ ATOM 832 OXT GLU A 107 74.619 1.112 10.943 1.00 0.00 O
834
+ TER 833 GLU A 107
835
+ END
1d7i/1d7i_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1dxp/1dxp_ligand.mol2 ADDED
@@ -0,0 +1,391 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1dxp_ligand
7
+ 188 187 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -8.8030 14.6150 11.1730 N.4 1 GLY 0.2357
14
+ 2 CA -7.6930 14.7600 10.1630 C.3 1 GLY 0.0545
15
+ 3 C -6.7720 15.9210 10.5540 C.2 1 GLY 0.2237
16
+ 4 O -7.2060 17.0700 10.6690 O.2 1 GLY -0.3910
17
+ 5 N -5.5350 15.6400 10.8980 N.am 1 SER -0.2591
18
+ 6 CA -4.6070 16.5720 11.5240 C.3 1 SER 0.1540
19
+ 7 C -3.6860 17.2890 10.5150 C.2 1 SER 0.2062
20
+ 8 O -3.3690 16.6710 9.4700 O.2 1 SER -0.3943
21
+ 9 CB -3.6700 15.7560 12.4040 C.3 1 SER 0.0843
22
+ 10 OG -3.9300 15.7970 13.7820 O.3 1 SER -0.3903
23
+ 11 N -3.3740 18.5690 10.7370 N.am 1 VAL -0.2634
24
+ 12 CA -2.5120 19.2870 9.7870 C.3 1 VAL 0.1333
25
+ 13 C -1.0940 18.7280 9.9730 C.2 1 VAL 0.2042
26
+ 14 O -0.7400 18.3450 11.0830 O.2 1 VAL -0.3944
27
+ 15 CB -2.4550 20.8060 9.9410 C.3 1 VAL -0.0063
28
+ 16 CG1 -1.5140 21.4390 8.9140 C.3 1 VAL -0.0584
29
+ 17 CG2 -3.8320 21.4600 9.8030 C.3 1 VAL -0.0584
30
+ 18 N -0.2730 18.6510 8.9300 N.am 1 VAL -0.2635
31
+ 19 CA 1.0440 18.0040 9.0850 C.3 1 VAL 0.1332
32
+ 20 C 2.2040 18.8800 8.6360 C.2 1 VAL 0.2042
33
+ 21 O 2.2290 19.5060 7.5730 O.2 1 VAL -0.3944
34
+ 22 CB 1.1240 16.6950 8.2730 C.3 1 VAL -0.0063
35
+ 23 CG1 2.3670 15.9130 8.6750 C.3 1 VAL -0.0584
36
+ 24 CG2 -0.1510 15.8590 8.4410 C.3 1 VAL -0.0584
37
+ 25 N 3.1950 19.0080 9.5070 N.am 1 ILE -0.2635
38
+ 26 CA 4.4530 19.6540 9.1480 C.3 1 ILE 0.1335
39
+ 27 C 5.1960 18.8210 8.1240 C.2 1 ILE 0.2042
40
+ 28 O 5.8400 17.8570 8.5280 O.2 1 ILE -0.3944
41
+ 29 CB 5.3210 19.8700 10.4100 C.3 1 ILE -0.0037
42
+ 30 CG1 4.5920 20.8970 11.3140 C.3 1 ILE -0.0491
43
+ 31 CG2 6.6940 20.3560 10.0630 C.3 1 ILE -0.0582
44
+ 32 CD1 5.4280 21.2250 12.5580 C.3 1 ILE -0.0648
45
+ 33 N 5.1500 19.1500 6.8410 N.am 1 VAL -0.2635
46
+ 34 CA 5.8810 18.4200 5.8150 C.3 1 VAL 0.1332
47
+ 35 C 7.2460 19.0070 5.4980 C.2 1 VAL 0.2039
48
+ 36 O 7.9300 18.4900 4.6230 O.2 1 VAL -0.3944
49
+ 37 CB 5.1450 18.3410 4.4500 C.3 1 VAL -0.0063
50
+ 38 CG1 3.7340 17.8230 4.7090 C.3 1 VAL -0.0584
51
+ 39 CG2 5.0740 19.6490 3.7190 C.3 1 VAL -0.0584
52
+ 40 N 7.6700 20.0720 6.1620 N.am 1 GLY -0.2664
53
+ 41 CA 8.9980 20.6240 5.9280 C.3 1 GLY 0.1201
54
+ 42 C 9.1230 21.9680 6.6320 C.2 1 GLY 0.2007
55
+ 43 O 8.1360 22.3630 7.2070 O.2 1 GLY -0.3947
56
+ 44 N 10.2280 22.6830 6.5060 N.am 1 ARG -0.2640
57
+ 45 CA 10.4670 23.9090 7.2330 C.3 1 ARG 0.1311
58
+ 46 C 11.3990 24.8720 6.4840 C.2 1 ARG 0.2039
59
+ 47 O 12.1500 24.5460 5.5690 O.2 1 ARG -0.3944
60
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61
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62
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63
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64
+ 52 CZ 14.1820 20.8030 10.1110 C.cat 1 ARG 0.2882
65
+ 53 NH1 13.2160 20.4520 10.9630 N.pl3 1 ARG -0.2849
66
+ 54 NH2 15.4650 20.5140 10.3460 N.pl3 1 ARG -0.2849
67
+ 55 N 11.3110 26.1340 6.8920 N.am 1 ILE -0.2635
68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
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177
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178
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179
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180
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181
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182
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183
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184
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185
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186
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187
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188
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189
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190
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191
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192
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193
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194
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195
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197
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198
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199
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200
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201
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379
+ $$$$
1dxp/1dxp_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1dxp/1dxp_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gzc/1gzc_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gzc/1gzc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1j37/1j37_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
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1j37/1j37_ligand.sdf ADDED
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1
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64
+ $$$$
1j37/1j37_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1j37/1j37_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mzs/1mzs_ligand.mol2 ADDED
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1mzs/1mzs_protein_esmfold_aligned_tr_fix.pdb ADDED
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1mzs/1mzs_protein_processed_fix.pdb ADDED
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+ $$$$
1n7i/1n7i_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1n7i/1n7i_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ATOM 85 CA GLY A 10 4.952 25.904 12.241 1.00 92.96 C
86
+ ATOM 86 N GLY A 10 4.509 25.087 13.360 1.00 93.21 N
87
+ ATOM 87 O GLY A 10 6.864 26.790 13.371 1.00 91.80 O
88
+ ATOM 88 C LYS A 11 6.125 30.149 13.655 1.00 91.59 C
89
+ ATOM 89 CA LYS A 11 6.478 29.404 12.371 1.00 92.09 C
90
+ ATOM 90 CB LYS A 11 6.429 30.361 11.179 1.00 90.46 C
91
+ ATOM 91 CD LYS A 11 6.958 30.791 8.756 1.00 79.77 C
92
+ ATOM 92 CE LYS A 11 7.473 30.192 7.454 1.00 73.45 C
93
+ ATOM 93 CG LYS A 11 6.997 29.779 9.894 1.00 84.14 C
94
+ ATOM 94 N LYS A 11 5.580 28.272 12.155 1.00 92.20 N
95
+ ATOM 95 NZ LYS A 11 7.390 31.166 6.326 1.00 63.07 N
96
+ ATOM 96 O LYS A 11 5.358 31.113 13.630 1.00 89.78 O
97
+ ATOM 97 C ILE A 12 7.690 30.617 16.597 1.00 92.69 C
98
+ ATOM 98 CA ILE A 12 6.301 30.387 16.008 1.00 92.74 C
99
+ ATOM 99 CB ILE A 12 5.399 29.657 17.029 1.00 91.92 C
100
+ ATOM 100 CD1 ILE A 12 5.468 27.759 18.748 1.00 85.36 C
101
+ ATOM 101 CG1 ILE A 12 6.045 28.336 17.464 1.00 89.02 C
102
+ ATOM 102 CG2 ILE A 12 4.004 29.418 16.444 1.00 88.88 C
103
+ ATOM 103 N ILE A 12 6.411 29.637 14.762 1.00 92.83 N
104
+ ATOM 104 O ILE A 12 8.602 29.814 16.384 1.00 91.77 O
105
+ ATOM 105 C THR A 13 9.492 31.237 19.079 1.00 92.81 C
106
+ ATOM 106 CA THR A 13 9.168 32.103 17.865 1.00 92.43 C
107
+ ATOM 107 CB THR A 13 9.197 33.589 18.268 1.00 91.32 C
108
+ ATOM 108 CG2 THR A 13 8.808 34.485 17.096 1.00 85.06 C
109
+ ATOM 109 N THR A 13 7.874 31.734 17.298 1.00 92.27 N
110
+ ATOM 110 O THR A 13 8.599 30.631 19.673 1.00 92.35 O
111
+ ATOM 111 OG1 THR A 13 8.277 33.805 19.346 1.00 85.72 O
112
+ ATOM 112 C ARG A 14 10.491 31.084 21.767 1.00 92.34 C
113
+ ATOM 113 CA ARG A 14 11.221 30.542 20.543 1.00 92.50 C
114
+ ATOM 114 CB ARG A 14 12.731 30.722 20.710 1.00 91.16 C
115
+ ATOM 115 CD ARG A 14 14.806 30.218 22.047 1.00 82.90 C
116
+ ATOM 116 CG ARG A 14 13.293 30.072 21.965 1.00 85.48 C
117
+ ATOM 117 CZ ARG A 14 16.211 28.614 23.299 1.00 75.41 C
118
+ ATOM 118 N ARG A 14 10.759 31.198 19.324 1.00 92.44 N
119
+ ATOM 119 NE ARG A 14 15.340 29.619 23.267 1.00 79.14 N
120
+ ATOM 120 NH1 ARG A 14 16.666 28.075 22.174 1.00 66.66 N
121
+ ATOM 121 NH2 ARG A 14 16.632 28.147 24.465 1.00 64.94 N
122
+ ATOM 122 O ARG A 14 10.041 30.315 22.619 1.00 91.51 O
123
+ ATOM 123 C ARG A 15 8.235 32.599 23.133 1.00 92.68 C
124
+ ATOM 124 CA ARG A 15 9.703 32.999 23.028 1.00 92.43 C
125
+ ATOM 125 CB ARG A 15 9.825 34.519 22.913 1.00 90.72 C
126
+ ATOM 126 CD ARG A 15 9.539 36.774 23.998 1.00 76.04 C
127
+ ATOM 127 CG ARG A 15 9.348 35.270 24.146 1.00 80.65 C
128
+ ATOM 128 CZ ARG A 15 9.147 38.811 25.345 1.00 66.28 C
129
+ ATOM 129 N ARG A 15 10.345 32.344 21.892 1.00 92.45 N
130
+ ATOM 130 NE ARG A 15 9.047 37.496 25.169 1.00 70.24 N
131
+ ATOM 131 NH1 ARG A 15 9.728 39.576 24.427 1.00 53.08 N
132
+ ATOM 132 NH2 ARG A 15 8.665 39.366 26.447 1.00 48.32 N
133
+ ATOM 133 O ARG A 15 7.728 32.357 24.229 1.00 91.98 O
134
+ ATOM 134 C GLU A 16 5.967 30.733 22.423 1.00 93.19 C
135
+ ATOM 135 CA GLU A 16 6.111 32.199 22.023 1.00 92.82 C
136
+ ATOM 136 CB GLU A 16 5.480 32.433 20.648 1.00 91.23 C
137
+ ATOM 137 CD GLU A 16 3.139 32.826 21.555 1.00 75.89 C
138
+ ATOM 138 CG GLU A 16 4.008 32.054 20.574 1.00 81.51 C
139
+ ATOM 139 N GLU A 16 7.512 32.610 22.021 1.00 92.89 N
140
+ ATOM 140 O GLU A 16 5.052 30.375 23.167 1.00 92.54 O
141
+ ATOM 141 OE1 GLU A 16 3.643 33.780 22.190 1.00 71.01 O
142
+ ATOM 142 OE2 GLU A 16 1.947 32.473 21.690 1.00 68.99 O
143
+ ATOM 143 C SER A 17 7.073 28.354 23.833 1.00 93.59 C
144
+ ATOM 144 CA SER A 17 6.878 28.508 22.329 1.00 93.84 C
145
+ ATOM 145 CB SER A 17 7.947 27.709 21.583 1.00 92.99 C
146
+ ATOM 146 N SER A 17 6.918 29.912 21.931 1.00 93.68 N
147
+ ATOM 147 O SER A 17 6.403 27.540 24.471 1.00 92.76 O
148
+ ATOM 148 OG SER A 17 9.244 28.069 22.025 1.00 83.23 O
149
+ ATOM 149 C GLU A 18 6.929 29.489 26.612 1.00 92.19 C
150
+ ATOM 150 CA GLU A 18 8.167 29.041 25.840 1.00 92.67 C
151
+ ATOM 151 CB GLU A 18 9.368 29.908 26.223 1.00 91.82 C
152
+ ATOM 152 CD GLU A 18 11.875 30.273 26.038 1.00 86.95 C
153
+ ATOM 153 CG GLU A 18 10.707 29.332 25.786 1.00 88.89 C
154
+ ATOM 154 N GLU A 18 7.937 29.088 24.399 1.00 92.77 N
155
+ ATOM 155 O GLU A 18 6.559 28.874 27.614 1.00 91.14 O
156
+ ATOM 156 OE1 GLU A 18 11.643 31.436 26.439 1.00 84.96 O
157
+ ATOM 157 OE2 GLU A 18 13.032 29.843 25.831 1.00 84.89 O
158
+ ATOM 158 C ARG A 19 4.038 29.940 26.867 1.00 91.52 C
159
+ ATOM 159 CA ARG A 19 5.108 31.026 26.818 1.00 91.53 C
160
+ ATOM 160 CB ARG A 19 4.567 32.261 26.094 1.00 90.27 C
161
+ ATOM 161 CD ARG A 19 2.814 34.067 25.984 1.00 79.29 C
162
+ ATOM 162 CG ARG A 19 3.423 32.950 26.821 1.00 83.74 C
163
+ ATOM 163 CZ ARG A 19 0.923 33.024 24.780 1.00 70.36 C
164
+ ATOM 164 N ARG A 19 6.319 30.539 26.167 1.00 91.86 N
165
+ ATOM 165 NE ARG A 19 2.146 33.545 24.795 1.00 73.24 N
166
+ ATOM 166 NH1 ARG A 19 0.207 32.942 25.896 1.00 54.77 N
167
+ ATOM 167 NH2 ARG A 19 0.411 32.579 23.641 1.00 50.28 N
168
+ ATOM 168 O ARG A 19 3.376 29.759 27.892 1.00 90.54 O
169
+ ATOM 169 C LEU A 20 3.252 26.947 26.631 1.00 92.33 C
170
+ ATOM 170 CA LEU A 20 2.857 28.136 25.761 1.00 92.39 C
171
+ ATOM 171 CB LEU A 20 2.664 27.680 24.311 1.00 91.78 C
172
+ ATOM 172 CD1 LEU A 20 2.119 28.202 21.921 1.00 87.10 C
173
+ ATOM 173 CD2 LEU A 20 0.581 28.965 23.751 1.00 86.83 C
174
+ ATOM 174 CG LEU A 20 2.030 28.697 23.361 1.00 89.83 C
175
+ ATOM 175 N LEU A 20 3.861 29.191 25.835 1.00 92.38 N
176
+ ATOM 176 O LEU A 20 2.415 26.386 27.342 1.00 91.58 O
177
+ ATOM 177 C LEU A 21 5.113 25.605 28.786 1.00 91.89 C
178
+ ATOM 178 CA LEU A 21 4.969 25.397 27.283 1.00 92.82 C
179
+ ATOM 179 CB LEU A 21 6.304 24.939 26.689 1.00 92.50 C
180
+ ATOM 180 CD1 LEU A 21 7.636 24.197 24.699 1.00 90.87 C
181
+ ATOM 181 CD2 LEU A 21 5.617 22.889 25.414 1.00 90.61 C
182
+ ATOM 182 CG LEU A 21 6.241 24.277 25.312 1.00 92.32 C
183
+ ATOM 183 N LEU A 21 4.512 26.620 26.630 1.00 92.77 N
184
+ ATOM 184 O LEU A 21 5.049 24.645 29.559 1.00 90.34 O
185
+ ATOM 185 C LEU A 22 4.225 27.321 31.346 1.00 88.51 C
186
+ ATOM 186 CA LEU A 22 5.553 27.125 30.624 1.00 89.73 C
187
+ ATOM 187 CB LEU A 22 6.431 28.367 30.800 1.00 88.68 C
188
+ ATOM 188 CD1 LEU A 22 8.613 29.564 30.495 1.00 82.98 C
189
+ ATOM 189 CD2 LEU A 22 8.589 27.190 31.308 1.00 82.68 C
190
+ ATOM 190 CG LEU A 22 7.903 28.216 30.413 1.00 86.57 C
191
+ ATOM 191 N LEU A 22 5.339 26.847 29.208 1.00 90.44 N
192
+ ATOM 192 O LEU A 22 4.202 27.627 32.540 1.00 85.81 O
193
+ ATOM 193 C ASN A 23 1.862 26.004 32.451 1.00 86.64 C
194
+ ATOM 194 CA ASN A 23 1.878 27.068 31.356 1.00 86.66 C
195
+ ATOM 195 CB ASN A 23 0.728 26.835 30.374 1.00 84.81 C
196
+ ATOM 196 CG ASN A 23 -0.634 27.014 31.017 1.00 77.86 C
197
+ ATOM 197 N ASN A 23 3.155 27.092 30.653 1.00 87.67 N
198
+ ATOM 198 ND2 ASN A 23 -1.617 27.417 30.221 1.00 69.75 N
199
+ ATOM 199 O ASN A 23 2.222 24.852 32.208 1.00 84.43 O
200
+ ATOM 200 OD1 ASN A 23 -0.800 26.791 32.219 1.00 71.65 O
201
+ ATOM 201 C ALA A 24 0.817 24.232 34.704 1.00 81.79 C
202
+ ATOM 202 CA ALA A 24 1.641 25.505 34.879 1.00 81.13 C
203
+ ATOM 203 CB ALA A 24 1.182 26.267 36.120 1.00 76.17 C
204
+ ATOM 204 N ALA A 24 1.548 26.356 33.694 1.00 81.25 N
205
+ ATOM 205 O ALA A 24 1.105 23.209 35.331 1.00 78.71 O
206
+ ATOM 206 C GLU A 25 -0.305 21.968 32.853 1.00 85.58 C
207
+ ATOM 207 CA GLU A 25 -0.970 23.021 33.735 1.00 84.22 C
208
+ ATOM 208 CB GLU A 25 -2.313 23.440 33.132 1.00 80.56 C
209
+ ATOM 209 CD GLU A 25 -4.523 24.644 33.481 1.00 68.90 C
210
+ ATOM 210 CG GLU A 25 -3.148 24.326 34.045 1.00 72.18 C
211
+ ATOM 211 N GLU A 25 -0.104 24.183 33.914 1.00 84.20 N
212
+ ATOM 212 O GLU A 25 -0.756 20.821 32.799 1.00 83.66 O
213
+ ATOM 213 OE1 GLU A 25 -4.767 24.363 32.286 1.00 66.64 O
214
+ ATOM 214 OE2 GLU A 25 -5.362 25.179 34.239 1.00 62.00 O
215
+ ATOM 215 C ASN A 26 2.385 20.500 32.144 1.00 86.73 C
216
+ ATOM 216 CA ASN A 26 1.470 21.431 31.354 1.00 87.54 C
217
+ ATOM 217 CB ASN A 26 2.263 22.158 30.267 1.00 86.35 C
218
+ ATOM 218 CG ASN A 26 1.371 22.802 29.225 1.00 85.68 C
219
+ ATOM 219 N ASN A 26 0.799 22.390 32.227 1.00 87.06 N
220
+ ATOM 220 ND2 ASN A 26 1.894 23.809 28.536 1.00 84.98 N
221
+ ATOM 221 O ASN A 26 3.242 20.960 32.902 1.00 84.44 O
222
+ ATOM 222 OD1 ASN A 26 0.219 22.399 29.041 1.00 84.86 O
223
+ ATOM 223 C PRO A 27 4.403 18.324 32.058 1.00 89.49 C
224
+ ATOM 224 CA PRO A 27 3.014 18.307 32.693 1.00 89.06 C
225
+ ATOM 225 CB PRO A 27 2.345 16.942 32.506 1.00 87.85 C
226
+ ATOM 226 CD PRO A 27 1.089 18.464 31.086 1.00 84.81 C
227
+ ATOM 227 CG PRO A 27 1.596 17.057 31.218 1.00 85.25 C
228
+ ATOM 228 N PRO A 27 2.083 19.231 32.042 1.00 88.84 N
229
+ ATOM 229 O PRO A 27 4.573 18.838 30.950 1.00 88.88 O
230
+ ATOM 230 C ARG A 28 6.590 16.718 31.056 1.00 91.12 C
231
+ ATOM 231 CA ARG A 28 6.642 17.596 32.302 1.00 90.37 C
232
+ ATOM 232 CB ARG A 28 7.514 16.935 33.372 1.00 88.82 C
233
+ ATOM 233 CD ARG A 28 9.815 16.236 34.123 1.00 80.30 C
234
+ ATOM 234 CG ARG A 28 8.990 16.877 33.014 1.00 82.92 C
235
+ ATOM 235 CZ ARG A 28 12.163 15.533 34.446 1.00 72.79 C
236
+ ATOM 236 N ARG A 28 5.301 17.850 32.819 1.00 90.02 N
237
+ ATOM 237 NE ARG A 28 11.241 16.250 33.809 1.00 75.19 N
238
+ ATOM 238 NH1 ARG A 28 11.825 14.730 35.449 1.00 61.86 N
239
+ ATOM 239 NH2 ARG A 28 13.433 15.620 34.079 1.00 58.91 N
240
+ ATOM 240 O ARG A 28 5.817 15.760 30.996 1.00 90.63 O
241
+ ATOM 241 C GLY A 29 6.449 16.929 27.706 1.00 93.38 C
242
+ ATOM 242 CA GLY A 29 7.422 16.409 28.748 1.00 93.01 C
243
+ ATOM 243 N GLY A 29 7.395 17.172 29.986 1.00 92.43 N
244
+ ATOM 244 O GLY A 29 6.348 16.371 26.612 1.00 92.93 O
245
+ ATOM 245 C THR A 30 5.758 19.246 25.951 1.00 94.81 C
246
+ ATOM 246 CA THR A 30 4.874 18.660 27.048 1.00 94.50 C
247
+ ATOM 247 CB THR A 30 4.011 19.777 27.666 1.00 93.68 C
248
+ ATOM 248 CG2 THR A 30 3.145 20.450 26.607 1.00 90.13 C
249
+ ATOM 249 N THR A 30 5.684 17.995 28.064 1.00 94.21 N
250
+ ATOM 250 O THR A 30 6.797 19.847 26.237 1.00 94.61 O
251
+ ATOM 251 OG1 THR A 30 3.163 19.214 28.674 1.00 89.03 O
252
+ ATOM 252 C PHE A 31 5.594 19.987 22.424 1.00 95.70 C
253
+ ATOM 253 CA PHE A 31 6.311 19.422 23.643 1.00 95.79 C
254
+ ATOM 254 CB PHE A 31 7.131 18.190 23.245 1.00 95.60 C
255
+ ATOM 255 CD1 PHE A 31 5.566 16.222 23.157 1.00 94.32 C
256
+ ATOM 256 CD2 PHE A 31 6.382 17.120 21.098 1.00 94.05 C
257
+ ATOM 257 CE1 PHE A 31 4.836 15.264 22.457 1.00 93.52 C
258
+ ATOM 258 CE2 PHE A 31 5.657 16.166 20.391 1.00 93.70 C
259
+ ATOM 259 CG PHE A 31 6.344 17.157 22.485 1.00 95.18 C
260
+ ATOM 260 CZ PHE A 31 4.885 15.239 21.071 1.00 93.00 C
261
+ ATOM 261 N PHE A 31 5.358 19.087 24.696 1.00 95.58 N
262
+ ATOM 262 O PHE A 31 4.380 19.824 22.280 1.00 95.41 O
263
+ ATOM 263 C LEU A 32 7.058 21.052 19.254 1.00 95.65 C
264
+ ATOM 264 CA LEU A 32 5.862 20.974 20.198 1.00 95.65 C
265
+ ATOM 265 CB LEU A 32 5.152 22.329 20.255 1.00 95.12 C
266
+ ATOM 266 CD1 LEU A 32 6.899 24.053 19.746 1.00 87.49 C
267
+ ATOM 267 CD2 LEU A 32 5.038 24.588 21.342 1.00 87.05 C
268
+ ATOM 268 CG LEU A 32 5.964 23.497 20.815 1.00 92.72 C
269
+ ATOM 269 N LEU A 32 6.280 20.559 21.533 1.00 95.56 N
270
+ ATOM 270 O LEU A 32 8.205 21.103 19.702 1.00 95.34 O
271
+ ATOM 271 C VAL A 33 7.535 22.399 16.171 1.00 95.47 C
272
+ ATOM 272 CA VAL A 33 7.813 21.123 16.963 1.00 95.77 C
273
+ ATOM 273 CB VAL A 33 7.838 19.902 16.017 1.00 95.29 C
274
+ ATOM 274 CG1 VAL A 33 8.796 20.142 14.852 1.00 92.94 C
275
+ ATOM 275 CG2 VAL A 33 8.232 18.642 16.785 1.00 92.62 C
276
+ ATOM 276 N VAL A 33 6.812 20.967 18.014 1.00 95.78 N
277
+ ATOM 277 O VAL A 33 6.395 22.655 15.775 1.00 94.82 O
278
+ ATOM 278 C ARG A 34 9.530 24.590 14.212 1.00 94.29 C
279
+ ATOM 279 CA ARG A 34 8.420 24.427 15.244 1.00 94.52 C
280
+ ATOM 280 CB ARG A 34 8.436 25.604 16.222 1.00 93.97 C
281
+ ATOM 281 CD ARG A 34 9.584 26.776 18.133 1.00 91.03 C
282
+ ATOM 282 CG ARG A 34 9.662 25.643 17.120 1.00 92.69 C
283
+ ATOM 283 CZ ARG A 34 11.953 27.242 18.664 1.00 87.69 C
284
+ ATOM 284 N ARG A 34 8.553 23.163 15.961 1.00 94.56 N
285
+ ATOM 285 NE ARG A 34 10.749 26.795 19.011 1.00 89.32 N
286
+ ATOM 286 NH1 ARG A 34 12.174 27.718 17.444 1.00 80.49 N
287
+ ATOM 287 NH2 ARG A 34 12.944 27.213 19.543 1.00 79.93 N
288
+ ATOM 288 O ARG A 34 10.524 23.862 14.241 1.00 93.63 O
289
+ ATOM 289 C GLU A 35 11.478 26.749 13.102 1.00 93.03 C
290
+ ATOM 290 CA GLU A 35 10.417 25.907 12.397 1.00 93.43 C
291
+ ATOM 291 CB GLU A 35 9.850 26.672 11.199 1.00 92.37 C
292
+ ATOM 292 CD GLU A 35 8.363 26.615 9.139 1.00 85.24 C
293
+ ATOM 293 CG GLU A 35 8.933 25.838 10.316 1.00 88.10 C
294
+ ATOM 294 N GLU A 35 9.349 25.528 13.317 1.00 93.56 N
295
+ ATOM 295 O GLU A 35 11.157 27.560 13.972 1.00 92.02 O
296
+ ATOM 296 OE1 GLU A 35 9.006 27.590 8.687 1.00 82.33 O
297
+ ATOM 297 OE2 GLU A 35 7.265 26.246 8.666 1.00 82.10 O
298
+ ATOM 298 C SER A 36 13.754 28.667 12.844 1.00 89.81 C
299
+ ATOM 299 CA SER A 36 13.792 27.222 13.333 1.00 90.32 C
300
+ ATOM 300 CB SER A 36 15.142 26.593 12.984 1.00 89.20 C
301
+ ATOM 301 N SER A 36 12.701 26.442 12.760 1.00 90.64 N
302
+ ATOM 302 O SER A 36 13.524 28.921 11.661 1.00 88.41 O
303
+ ATOM 303 OG SER A 36 16.209 27.406 13.442 1.00 85.05 O
304
+ ATOM 304 C GLU A 37 15.433 31.302 12.758 1.00 86.89 C
305
+ ATOM 305 CA GLU A 37 14.093 30.956 13.403 1.00 87.94 C
306
+ ATOM 306 CB GLU A 37 13.846 31.854 14.617 1.00 86.26 C
307
+ ATOM 307 CD GLU A 37 12.249 32.538 16.472 1.00 79.39 C
308
+ ATOM 308 CG GLU A 37 12.444 31.733 15.196 1.00 81.29 C
309
+ ATOM 309 N GLU A 37 14.040 29.548 13.786 1.00 88.70 N
310
+ ATOM 310 O GLU A 37 15.506 32.193 11.909 1.00 84.43 O
311
+ ATOM 311 OE1 GLU A 37 12.614 32.043 17.562 1.00 75.53 O
312
+ ATOM 312 OE2 GLU A 37 11.726 33.671 16.378 1.00 75.12 O
313
+ ATOM 313 C THR A 38 18.295 30.204 11.541 1.00 85.65 C
314
+ ATOM 314 CA THR A 38 17.763 31.009 12.724 1.00 86.55 C
315
+ ATOM 315 CB THR A 38 18.729 30.874 13.916 1.00 84.90 C
316
+ ATOM 316 CG2 THR A 38 18.321 31.796 15.061 1.00 76.48 C
317
+ ATOM 317 N THR A 38 16.417 30.574 13.082 1.00 87.42 N
318
+ ATOM 318 O THR A 38 19.241 30.625 10.873 1.00 83.17 O
319
+ ATOM 319 OG1 THR A 38 18.719 29.519 14.381 1.00 78.54 O
320
+ ATOM 320 C THR A 39 17.006 27.806 9.362 1.00 85.07 C
321
+ ATOM 321 CA THR A 39 18.162 28.152 10.296 1.00 85.26 C
322
+ ATOM 322 CB THR A 39 18.778 26.857 10.858 1.00 83.86 C
323
+ ATOM 323 CG2 THR A 39 19.410 26.022 9.749 1.00 79.15 C
324
+ ATOM 324 N THR A 39 17.716 29.033 11.368 1.00 85.62 N
325
+ ATOM 325 O THR A 39 16.050 27.144 9.769 1.00 83.49 O
326
+ ATOM 326 OG1 THR A 39 19.783 27.190 11.822 1.00 78.25 O
327
+ ATOM 327 C LYS A 40 15.959 26.536 6.887 1.00 83.98 C
328
+ ATOM 328 CA LYS A 40 16.071 28.029 7.183 1.00 84.13 C
329
+ ATOM 329 CB LYS A 40 16.361 28.799 5.894 1.00 81.85 C
330
+ ATOM 330 CD LYS A 40 15.542 29.606 3.654 1.00 73.87 C
331
+ ATOM 331 CE LYS A 40 14.422 29.540 2.625 1.00 65.28 C
332
+ ATOM 332 CG LYS A 40 15.229 28.755 4.878 1.00 76.40 C
333
+ ATOM 333 N LYS A 40 17.104 28.291 8.180 1.00 84.44 N
334
+ ATOM 334 NZ LYS A 40 14.722 30.378 1.425 1.00 60.97 N
335
+ ATOM 335 O LYS A 40 16.962 25.874 6.619 1.00 82.00 O
336
+ ATOM 336 C GLY A 41 14.669 23.794 7.780 1.00 83.87 C
337
+ ATOM 337 CA GLY A 41 14.460 24.744 6.617 1.00 83.53 C
338
+ ATOM 338 N GLY A 41 14.713 26.134 6.961 1.00 83.69 N
339
+ ATOM 339 O GLY A 41 14.390 22.599 7.670 1.00 82.40 O
340
+ ATOM 340 C ALA A 42 14.304 23.526 11.012 1.00 89.61 C
341
+ ATOM 341 CA ALA A 42 15.495 23.426 10.061 1.00 88.39 C
342
+ ATOM 342 CB ALA A 42 16.780 23.832 10.777 1.00 86.82 C
343
+ ATOM 343 N ALA A 42 15.289 24.252 8.874 1.00 88.21 N
344
+ ATOM 344 O ALA A 42 13.497 24.452 10.909 1.00 89.40 O
345
+ ATOM 345 C TYR A 43 13.675 22.538 14.266 1.00 93.55 C
346
+ ATOM 346 CA TYR A 43 13.087 22.573 12.861 1.00 93.54 C
347
+ ATOM 347 CB TYR A 43 12.176 21.359 12.647 1.00 92.93 C
348
+ ATOM 348 CD1 TYR A 43 10.303 21.999 11.077 1.00 88.94 C
349
+ ATOM 349 CD2 TYR A 43 12.077 20.642 10.230 1.00 88.86 C
350
+ ATOM 350 CE1 TYR A 43 9.682 21.975 9.833 1.00 88.95 C
351
+ ATOM 351 CE2 TYR A 43 11.465 20.613 8.981 1.00 89.11 C
352
+ ATOM 352 CG TYR A 43 11.508 21.333 11.293 1.00 91.51 C
353
+ ATOM 353 CZ TYR A 43 10.269 21.282 8.793 1.00 88.16 C
354
+ ATOM 354 N TYR A 43 14.141 22.604 11.853 1.00 93.15 N
355
+ ATOM 355 O TYR A 43 14.860 22.241 14.442 1.00 93.09 O
356
+ ATOM 356 OH TYR A 43 9.659 21.255 7.559 1.00 84.75 O
357
+ ATOM 357 C CYS A 44 12.197 21.994 17.423 1.00 95.12 C
358
+ ATOM 358 CA CYS A 44 13.252 22.737 16.612 1.00 94.88 C
359
+ ATOM 359 CB CYS A 44 13.444 24.145 17.177 1.00 93.42 C
360
+ ATOM 360 N CYS A 44 12.881 22.798 15.203 1.00 94.75 N
361
+ ATOM 361 O CYS A 44 10.998 22.150 17.180 1.00 94.76 O
362
+ ATOM 362 SG CYS A 44 14.844 25.032 16.458 1.00 64.22 S
363
+ ATOM 363 C LEU A 45 11.922 21.254 20.580 1.00 95.51 C
364
+ ATOM 364 CA LEU A 45 11.832 20.516 19.248 1.00 95.57 C
365
+ ATOM 365 CB LEU A 45 12.273 19.061 19.426 1.00 95.12 C
366
+ ATOM 366 CD1 LEU A 45 10.127 18.052 20.240 1.00 90.44 C
367
+ ATOM 367 CD2 LEU A 45 12.315 16.957 20.794 1.00 90.19 C
368
+ ATOM 368 CG LEU A 45 11.600 18.282 20.558 1.00 93.61 C
369
+ ATOM 369 N LEU A 45 12.646 21.176 18.233 1.00 95.45 N
370
+ ATOM 370 O LEU A 45 13.018 21.459 21.108 1.00 95.11 O
371
+ ATOM 371 C SER A 46 10.026 21.485 23.437 1.00 94.87 C
372
+ ATOM 372 CA SER A 46 10.771 22.353 22.427 1.00 95.01 C
373
+ ATOM 373 CB SER A 46 10.091 23.717 22.314 1.00 94.42 C
374
+ ATOM 374 N SER A 46 10.839 21.705 21.121 1.00 94.90 N
375
+ ATOM 375 O SER A 46 8.915 21.025 23.167 1.00 94.37 O
376
+ ATOM 376 OG SER A 46 10.815 24.570 21.444 1.00 89.39 O
377
+ ATOM 377 C VAL A 47 10.091 21.018 26.928 1.00 94.08 C
378
+ ATOM 378 CA VAL A 47 10.060 20.372 25.545 1.00 94.45 C
379
+ ATOM 379 CB VAL A 47 10.835 19.035 25.562 1.00 93.52 C
380
+ ATOM 380 CG1 VAL A 47 10.123 18.010 26.443 1.00 84.64 C
381
+ ATOM 381 CG2 VAL A 47 11.005 18.499 24.142 1.00 83.99 C
382
+ ATOM 382 N VAL A 47 10.606 21.295 24.556 1.00 94.49 N
383
+ ATOM 383 O VAL A 47 11.114 21.573 27.337 1.00 93.08 O
384
+ ATOM 384 C SER A 48 9.599 20.489 29.971 1.00 92.11 C
385
+ ATOM 385 CA SER A 48 8.922 21.455 29.005 1.00 92.49 C
386
+ ATOM 386 CB SER A 48 7.473 21.689 29.437 1.00 91.12 C
387
+ ATOM 387 N SER A 48 8.973 20.956 27.634 1.00 92.82 N
388
+ ATOM 388 O SER A 48 9.473 19.271 29.829 1.00 90.86 O
389
+ ATOM 389 OG SER A 48 6.764 20.463 29.500 1.00 76.50 O
390
+ ATOM 390 C ASP A 49 10.925 21.046 33.211 1.00 88.81 C
391
+ ATOM 391 CA ASP A 49 11.035 20.328 31.869 1.00 89.98 C
392
+ ATOM 392 CB ASP A 49 12.506 20.105 31.512 1.00 89.00 C
393
+ ATOM 393 CG ASP A 49 13.140 18.967 32.294 1.00 86.62 C
394
+ ATOM 394 N ASP A 49 10.361 21.079 30.815 1.00 90.63 N
395
+ ATOM 395 O ASP A 49 10.556 22.222 33.265 1.00 86.70 O
396
+ ATOM 396 OD1 ASP A 49 12.405 18.167 32.912 1.00 85.30 O
397
+ ATOM 397 OD2 ASP A 49 14.387 18.871 32.293 1.00 84.20 O
398
+ ATOM 398 C PHE A 50 12.289 20.412 36.326 1.00 84.42 C
399
+ ATOM 399 CA PHE A 50 11.044 20.866 35.571 1.00 85.75 C
400
+ ATOM 400 CB PHE A 50 9.785 20.439 36.331 1.00 83.56 C
401
+ ATOM 401 CD1 PHE A 50 9.135 22.284 37.914 1.00 74.19 C
402
+ ATOM 402 CD2 PHE A 50 10.139 20.310 38.817 1.00 74.58 C
403
+ ATOM 403 CE1 PHE A 50 9.041 22.825 39.195 1.00 73.47 C
404
+ ATOM 404 CE2 PHE A 50 10.048 20.844 40.098 1.00 73.68 C
405
+ ATOM 405 CG PHE A 50 9.684 21.023 37.715 1.00 78.87 C
406
+ ATOM 406 CZ PHE A 50 9.500 22.103 40.285 1.00 70.33 C
407
+ ATOM 407 N PHE A 50 11.035 20.326 34.218 1.00 86.20 N
408
+ ATOM 408 O PHE A 50 12.603 19.220 36.356 1.00 81.30 O
409
+ ATOM 409 C ASP A 51 14.161 21.775 38.878 1.00 82.47 C
410
+ ATOM 410 CA ASP A 51 14.332 21.115 37.511 1.00 82.00 C
411
+ ATOM 411 CB ASP A 51 15.600 21.634 36.832 1.00 78.76 C
412
+ ATOM 412 CG ASP A 51 16.848 21.434 37.673 1.00 71.11 C
413
+ ATOM 413 N ASP A 51 13.165 21.349 36.667 1.00 82.12 N
414
+ ATOM 414 O ASP A 51 13.673 22.904 38.972 1.00 80.64 O
415
+ ATOM 415 OD1 ASP A 51 17.168 22.308 38.507 1.00 64.70 O
416
+ ATOM 416 OD2 ASP A 51 17.519 20.394 37.498 1.00 67.69 O
417
+ ATOM 417 C ASN A 52 14.912 22.826 41.628 1.00 79.62 C
418
+ ATOM 418 CA ASN A 52 14.213 21.488 41.405 1.00 80.04 C
419
+ ATOM 419 CB ASN A 52 14.707 20.456 42.422 1.00 75.96 C
420
+ ATOM 420 CG ASN A 52 13.811 19.235 42.496 1.00 70.23 C
421
+ ATOM 421 N ASN A 52 14.409 21.000 40.044 1.00 79.42 N
422
+ ATOM 422 ND2 ASN A 52 14.374 18.112 42.925 1.00 67.08 N
423
+ ATOM 423 O ASN A 52 14.403 23.685 42.351 1.00 77.10 O
424
+ ATOM 424 OD1 ASN A 52 12.623 19.300 42.170 1.00 68.31 O
425
+ ATOM 425 C ALA A 53 16.249 25.295 40.336 1.00 79.61 C
426
+ ATOM 426 CA ALA A 53 16.777 24.159 41.205 1.00 80.27 C
427
+ ATOM 427 CB ALA A 53 18.250 23.898 40.899 1.00 76.21 C
428
+ ATOM 428 N ALA A 53 15.993 22.941 41.011 1.00 79.76 N
429
+ ATOM 429 O ALA A 53 16.124 26.432 40.796 1.00 77.68 O
430
+ ATOM 430 C LYS A 54 14.015 26.335 38.022 1.00 79.68 C
431
+ ATOM 431 CA LYS A 54 15.523 26.148 38.176 1.00 79.44 C
432
+ ATOM 432 CB LYS A 54 16.151 25.813 36.822 1.00 76.53 C
433
+ ATOM 433 CD LYS A 54 18.236 25.544 35.438 1.00 68.37 C
434
+ ATOM 434 CE LYS A 54 19.759 25.520 35.449 1.00 60.85 C
435
+ ATOM 435 CG LYS A 54 17.672 25.857 36.818 1.00 70.82 C
436
+ ATOM 436 N LYS A 54 15.825 25.106 39.153 1.00 79.92 N
437
+ ATOM 437 NZ LYS A 54 20.315 25.129 34.119 1.00 54.91 N
438
+ ATOM 438 O LYS A 54 13.560 27.383 37.559 1.00 77.03 O
439
+ ATOM 439 C GLY A 55 11.471 25.018 36.922 1.00 83.37 C
440
+ ATOM 440 CA GLY A 55 11.841 25.379 38.348 1.00 83.01 C
441
+ ATOM 441 N GLY A 55 13.272 25.316 38.600 1.00 82.76 N
442
+ ATOM 442 O GLY A 55 12.178 24.249 36.267 1.00 81.04 O
443
+ ATOM 443 C LEU A 56 10.719 25.767 34.055 1.00 85.98 C
444
+ ATOM 444 CA LEU A 56 9.834 25.136 35.125 1.00 85.37 C
445
+ ATOM 445 CB LEU A 56 8.396 25.645 34.980 1.00 82.56 C
446
+ ATOM 446 CD1 LEU A 56 6.021 25.647 35.784 1.00 68.27 C
447
+ ATOM 447 CD2 LEU A 56 7.084 23.505 35.021 1.00 68.65 C
448
+ ATOM 448 CG LEU A 56 7.317 24.846 35.711 1.00 75.10 C
449
+ ATOM 449 N LEU A 56 10.345 25.424 36.460 1.00 85.20 N
450
+ ATOM 450 O LEU A 56 11.081 26.942 34.157 1.00 84.10 O
451
+ ATOM 451 C ASN A 57 11.658 24.754 30.698 1.00 90.74 C
452
+ ATOM 452 CA ASN A 57 11.950 25.505 31.994 1.00 89.81 C
453
+ ATOM 453 CB ASN A 57 13.442 25.429 32.327 1.00 87.94 C
454
+ ATOM 454 CG ASN A 57 13.918 24.008 32.550 1.00 80.76 C
455
+ ATOM 455 N ASN A 57 11.151 24.992 33.102 1.00 89.71 N
456
+ ATOM 456 ND2 ASN A 57 14.310 23.699 33.781 1.00 74.54 N
457
+ ATOM 457 O ASN A 57 10.878 23.800 30.692 1.00 90.11 O
458
+ ATOM 458 OD1 ASN A 57 13.937 23.193 31.624 1.00 75.77 O
459
+ ATOM 459 C VAL A 58 13.256 24.365 27.684 1.00 92.06 C
460
+ ATOM 460 CA VAL A 58 11.898 24.643 28.325 1.00 92.24 C
461
+ ATOM 461 CB VAL A 58 11.053 25.559 27.410 1.00 91.32 C
462
+ ATOM 462 CG1 VAL A 58 10.903 24.941 26.021 1.00 86.43 C
463
+ ATOM 463 CG2 VAL A 58 9.684 25.819 28.034 1.00 85.67 C
464
+ ATOM 464 N VAL A 58 12.088 25.234 29.646 1.00 91.83 N
465
+ ATOM 465 O VAL A 58 14.129 25.236 27.663 1.00 91.18 O
466
+ ATOM 466 C LYS A 59 14.392 22.805 24.997 1.00 93.08 C
467
+ ATOM 467 CA LYS A 59 14.673 22.832 26.497 1.00 92.62 C
468
+ ATOM 468 CB LYS A 59 15.203 21.473 26.954 1.00 91.07 C
469
+ ATOM 469 CD LYS A 59 16.777 22.296 28.738 1.00 76.25 C
470
+ ATOM 470 CE LYS A 59 17.153 22.233 30.213 1.00 68.19 C
471
+ ATOM 471 CG LYS A 59 15.571 21.418 28.430 1.00 80.91 C
472
+ ATOM 472 N LYS A 59 13.475 23.196 27.249 1.00 92.59 N
473
+ ATOM 473 NZ LYS A 59 18.354 23.068 30.514 1.00 59.63 N
474
+ ATOM 474 O LYS A 59 13.360 22.291 24.562 1.00 92.62 O
475
+ ATOM 475 C HIS A 60 16.219 22.561 22.145 1.00 92.98 C
476
+ ATOM 476 CA HIS A 60 15.159 23.427 22.816 1.00 93.54 C
477
+ ATOM 477 CB HIS A 60 15.275 24.872 22.326 1.00 92.75 C
478
+ ATOM 478 CD2 HIS A 60 14.501 26.649 24.052 1.00 88.30 C
479
+ ATOM 479 CE1 HIS A 60 12.426 26.855 23.377 1.00 88.75 C
480
+ ATOM 480 CG HIS A 60 14.328 25.812 23.001 1.00 91.14 C
481
+ ATOM 481 N HIS A 60 15.271 23.369 24.268 1.00 93.22 N
482
+ ATOM 482 ND1 HIS A 60 13.018 25.963 22.600 1.00 88.18 N
483
+ ATOM 483 NE2 HIS A 60 13.304 27.286 24.266 1.00 89.82 N
484
+ ATOM 484 O HIS A 60 17.404 22.654 22.476 1.00 91.99 O
485
+ ATOM 485 C TYR A 61 16.543 21.094 19.057 1.00 93.47 C
486
+ ATOM 486 CA TYR A 61 16.648 20.842 20.556 1.00 93.80 C
487
+ ATOM 487 CB TYR A 61 16.329 19.375 20.863 1.00 93.52 C
488
+ ATOM 488 CD1 TYR A 61 17.649 18.605 22.874 1.00 92.04 C
489
+ ATOM 489 CD2 TYR A 61 15.331 19.108 23.164 1.00 91.79 C
490
+ ATOM 490 CE1 TYR A 61 17.753 18.277 24.223 1.00 91.12 C
491
+ ATOM 491 CE2 TYR A 61 15.424 18.784 24.514 1.00 91.23 C
492
+ ATOM 492 CG TYR A 61 16.438 19.023 22.327 1.00 93.11 C
493
+ ATOM 493 CZ TYR A 61 16.637 18.372 25.033 1.00 90.79 C
494
+ ATOM 494 N TYR A 61 15.755 21.725 21.298 1.00 93.70 N
495
+ ATOM 495 O TYR A 61 15.459 20.984 18.478 1.00 92.75 O
496
+ ATOM 496 OH TYR A 61 16.735 18.049 26.368 1.00 88.29 O
497
+ ATOM 497 C LYS A 62 17.465 20.202 16.281 1.00 92.85 C
498
+ ATOM 498 CA LYS A 62 17.637 21.547 16.983 1.00 92.67 C
499
+ ATOM 499 CB LYS A 62 18.931 22.218 16.518 1.00 91.14 C
500
+ ATOM 500 CD LYS A 62 20.157 23.442 14.692 1.00 80.21 C
501
+ ATOM 501 CE LYS A 62 20.106 23.928 13.249 1.00 71.69 C
502
+ ATOM 502 CG LYS A 62 18.929 22.615 15.049 1.00 83.73 C
503
+ ATOM 503 N LYS A 62 17.636 21.386 18.434 1.00 92.70 N
504
+ ATOM 504 NZ LYS A 62 21.263 24.811 12.921 1.00 63.78 N
505
+ ATOM 505 O LYS A 62 18.164 19.237 16.596 1.00 92.19 O
506
+ ATOM 506 C ILE A 63 16.989 19.304 13.135 1.00 92.08 C
507
+ ATOM 507 CA ILE A 63 16.304 19.014 14.468 1.00 93.37 C
508
+ ATOM 508 CB ILE A 63 14.814 18.673 14.243 1.00 93.05 C
509
+ ATOM 509 CD1 ILE A 63 12.594 18.404 15.493 1.00 91.04 C
510
+ ATOM 510 CG1 ILE A 63 14.114 18.424 15.583 1.00 92.29 C
511
+ ATOM 511 CG2 ILE A 63 14.671 17.462 13.316 1.00 91.90 C
512
+ ATOM 512 N ILE A 63 16.461 20.156 15.362 1.00 93.51 N
513
+ ATOM 513 O ILE A 63 16.592 20.221 12.413 1.00 90.12 O
514
+ ATOM 514 C ARG A 64 18.263 17.737 10.581 1.00 89.72 C
515
+ ATOM 515 CA ARG A 64 18.733 18.712 11.656 1.00 89.67 C
516
+ ATOM 516 CB ARG A 64 20.232 18.531 11.908 1.00 87.69 C
517
+ ATOM 517 CD ARG A 64 22.292 19.267 13.157 1.00 78.77 C
518
+ ATOM 518 CG ARG A 64 20.815 19.529 12.896 1.00 80.28 C
519
+ ATOM 519 CZ ARG A 64 24.115 20.237 14.516 1.00 68.97 C
520
+ ATOM 520 N ARG A 64 17.980 18.533 12.893 1.00 90.25 N
521
+ ATOM 521 NE ARG A 64 22.853 20.230 14.099 1.00 72.53 N
522
+ ATOM 522 NH1 ARG A 64 24.978 19.325 14.080 1.00 62.15 N
523
+ ATOM 523 NH2 ARG A 64 24.520 21.160 15.375 1.00 59.42 N
524
+ ATOM 524 O ARG A 64 17.758 16.657 10.894 1.00 88.53 O
525
+ ATOM 525 C LYS A 65 19.266 16.970 7.466 1.00 86.63 C
526
+ ATOM 526 CA LYS A 65 18.010 17.370 8.237 1.00 87.16 C
527
+ ATOM 527 CB LYS A 65 17.052 18.128 7.317 1.00 85.06 C
528
+ ATOM 528 CD LYS A 65 15.435 18.054 5.388 1.00 77.80 C
529
+ ATOM 529 CE LYS A 65 14.835 17.200 4.281 1.00 71.29 C
530
+ ATOM 530 CG LYS A 65 16.464 17.278 6.200 1.00 79.09 C
531
+ ATOM 531 N LYS A 65 18.346 18.179 9.406 1.00 87.79 N
532
+ ATOM 532 NZ LYS A 65 13.899 17.984 3.421 1.00 66.96 N
533
+ ATOM 533 O LYS A 65 20.121 17.811 7.181 1.00 84.57 O
534
+ ATOM 534 C LEU A 66 20.236 15.573 4.879 1.00 85.67 C
535
+ ATOM 535 CA LEU A 66 20.476 15.247 6.350 1.00 86.09 C
536
+ ATOM 536 CB LEU A 66 20.662 13.738 6.527 1.00 84.40 C
537
+ ATOM 537 CD1 LEU A 66 20.985 11.754 8.026 1.00 74.01 C
538
+ ATOM 538 CD2 LEU A 66 22.556 13.706 8.175 1.00 74.10 C
539
+ ATOM 539 CG LEU A 66 21.120 13.269 7.909 1.00 79.24 C
540
+ ATOM 540 N LEU A 66 19.374 15.727 7.175 1.00 86.47 N
541
+ ATOM 541 O LEU A 66 19.090 15.738 4.455 1.00 83.73 O
542
+ ATOM 542 C ASP A 67 20.329 14.753 2.032 1.00 82.34 C
543
+ ATOM 543 CA ASP A 67 21.180 15.855 2.657 1.00 82.91 C
544
+ ATOM 544 CB ASP A 67 22.560 15.895 1.995 1.00 80.06 C
545
+ ATOM 545 CG ASP A 67 23.357 17.135 2.359 1.00 74.31 C
546
+ ATOM 546 N ASP A 67 21.309 15.665 4.098 1.00 82.68 N
547
+ ATOM 547 O ASP A 67 19.602 14.995 1.066 1.00 80.31 O
548
+ ATOM 548 OD1 ASP A 67 22.750 18.157 2.747 1.00 72.32 O
549
+ ATOM 549 OD2 ASP A 67 24.601 17.090 2.252 1.00 76.76 O
550
+ ATOM 550 C SER A 68 18.248 12.475 2.483 1.00 82.00 C
551
+ ATOM 551 CA SER A 68 19.718 12.413 2.083 1.00 83.01 C
552
+ ATOM 552 CB SER A 68 20.337 11.108 2.585 1.00 80.47 C
553
+ ATOM 553 N SER A 68 20.456 13.561 2.602 1.00 83.96 N
554
+ ATOM 554 O SER A 68 17.447 11.644 2.050 1.00 78.82 O
555
+ ATOM 555 OG SER A 68 20.313 11.050 4.000 1.00 72.59 O
556
+ ATOM 556 C GLY A 69 16.198 13.231 5.080 1.00 82.77 C
557
+ ATOM 557 CA GLY A 69 16.505 13.698 3.669 1.00 82.99 C
558
+ ATOM 558 N GLY A 69 17.896 13.504 3.293 1.00 83.01 N
559
+ ATOM 559 O GLY A 69 15.076 13.394 5.563 1.00 79.82 O
560
+ ATOM 560 C GLY A 70 16.883 13.229 8.204 1.00 87.60 C
561
+ ATOM 561 CA GLY A 70 16.837 12.125 7.164 1.00 87.36 C
562
+ ATOM 562 N GLY A 70 17.057 12.607 5.809 1.00 87.08 N
563
+ ATOM 563 O GLY A 70 17.529 14.259 7.996 1.00 85.71 O
564
+ ATOM 564 C PHE A 71 16.775 13.425 11.670 1.00 91.14 C
565
+ ATOM 565 CA PHE A 71 16.095 13.982 10.425 1.00 91.33 C
566
+ ATOM 566 CB PHE A 71 14.646 14.365 10.746 1.00 90.44 C
567
+ ATOM 567 CD1 PHE A 71 13.968 16.402 9.435 1.00 86.67 C
568
+ ATOM 568 CD2 PHE A 71 13.203 14.263 8.690 1.00 87.01 C
569
+ ATOM 569 CE1 PHE A 71 13.301 17.015 8.376 1.00 88.17 C
570
+ ATOM 570 CE2 PHE A 71 12.534 14.868 7.630 1.00 88.11 C
571
+ ATOM 571 CG PHE A 71 13.925 15.023 9.602 1.00 89.13 C
572
+ ATOM 572 CZ PHE A 71 12.584 16.244 7.475 1.00 87.13 C
573
+ ATOM 573 N PHE A 71 16.140 13.017 9.333 1.00 90.40 N
574
+ ATOM 574 O PHE A 71 16.710 12.223 11.933 1.00 90.27 O
575
+ ATOM 575 C TYR A 72 18.214 15.009 14.557 1.00 91.03 C
576
+ ATOM 576 CA TYR A 72 17.979 13.849 13.595 1.00 91.13 C
577
+ ATOM 577 CB TYR A 72 19.303 13.138 13.303 1.00 90.10 C
578
+ ATOM 578 CD1 TYR A 72 20.383 14.339 11.361 1.00 84.37 C
579
+ ATOM 579 CD2 TYR A 72 21.346 14.601 13.530 1.00 84.94 C
580
+ ATOM 580 CE1 TYR A 72 21.358 15.171 10.820 1.00 84.80 C
581
+ ATOM 581 CE2 TYR A 72 22.326 15.434 13.001 1.00 85.39 C
582
+ ATOM 582 CG TYR A 72 20.363 14.043 12.722 1.00 87.76 C
583
+ ATOM 583 CZ TYR A 72 22.324 15.713 11.647 1.00 82.79 C
584
+ ATOM 584 N TYR A 72 17.363 14.315 12.358 1.00 90.72 N
585
+ ATOM 585 O TYR A 72 18.313 16.163 14.134 1.00 90.11 O
586
+ ATOM 586 OH TYR A 72 23.292 16.536 11.117 1.00 78.22 O
587
+ ATOM 587 C ILE A 73 20.062 15.141 17.351 1.00 87.78 C
588
+ ATOM 588 CA ILE A 73 18.639 15.500 16.932 1.00 90.75 C
589
+ ATOM 589 CB ILE A 73 17.692 15.446 18.153 1.00 89.45 C
590
+ ATOM 590 CD1 ILE A 73 15.268 15.862 18.874 1.00 81.96 C
591
+ ATOM 591 CG1 ILE A 73 16.328 16.048 17.796 1.00 84.32 C
592
+ ATOM 592 CG2 ILE A 73 18.314 16.172 19.350 1.00 83.05 C
593
+ ATOM 593 N ILE A 73 18.196 14.600 15.873 1.00 90.76 N
594
+ ATOM 594 O ILE A 73 20.918 16.021 17.485 1.00 83.89 O
595
+ ATOM 595 C THR A 74 22.013 12.452 16.601 1.00 84.61 C
596
+ ATOM 596 CA THR A 74 21.614 13.292 17.812 1.00 84.42 C
597
+ ATOM 597 CB THR A 74 21.668 12.425 19.083 1.00 81.97 C
598
+ ATOM 598 CG2 THR A 74 21.075 13.163 20.278 1.00 71.46 C
599
+ ATOM 599 N THR A 74 20.289 13.874 17.623 1.00 85.58 N
600
+ ATOM 600 O THR A 74 21.179 11.749 16.027 1.00 82.14 O
601
+ ATOM 601 OG1 THR A 74 20.925 11.219 18.864 1.00 71.53 O
602
+ ATOM 602 C SER A 75 23.580 10.371 14.995 1.00 79.58 C
603
+ ATOM 603 CA SER A 75 23.678 11.890 14.904 1.00 79.16 C
604
+ ATOM 604 CB SER A 75 25.116 12.298 14.583 1.00 74.93 C
605
+ ATOM 605 N SER A 75 23.227 12.523 16.138 1.00 79.17 N
606
+ ATOM 606 O SER A 75 23.616 9.678 13.976 1.00 76.42 O
607
+ ATOM 607 OG SER A 75 25.979 11.988 15.664 1.00 67.32 O
608
+ ATOM 608 C ARG A 76 22.038 7.731 15.855 1.00 82.39 C
609
+ ATOM 609 CA ARG A 76 23.388 8.328 16.237 1.00 81.97 C
610
+ ATOM 610 CB ARG A 76 23.736 7.957 17.680 1.00 78.38 C
611
+ ATOM 611 CD ARG A 76 25.478 7.844 19.496 1.00 67.21 C
612
+ ATOM 612 CG ARG A 76 25.162 8.299 18.078 1.00 70.30 C
613
+ ATOM 613 CZ ARG A 76 27.323 8.070 21.126 1.00 59.83 C
614
+ ATOM 614 N ARG A 76 23.389 9.777 16.066 1.00 82.25 N
615
+ ATOM 615 NE ARG A 76 26.812 8.263 19.913 1.00 57.74 N
616
+ ATOM 616 NH1 ARG A 76 26.618 7.456 22.069 1.00 45.48 N
617
+ ATOM 617 NH2 ARG A 76 28.549 8.493 21.398 1.00 40.97 N
618
+ ATOM 618 O ARG A 76 21.947 6.548 15.522 1.00 79.84 O
619
+ ATOM 619 C THR A 77 19.095 8.947 14.520 1.00 85.98 C
620
+ ATOM 620 CA THR A 77 19.778 8.049 15.547 1.00 85.75 C
621
+ ATOM 621 CB THR A 77 18.915 7.971 16.821 1.00 83.14 C
622
+ ATOM 622 CG2 THR A 77 17.590 7.269 16.545 1.00 74.21 C
623
+ ATOM 623 N THR A 77 21.120 8.535 15.847 1.00 85.49 N
624
+ ATOM 624 O THR A 77 18.842 10.123 14.787 1.00 84.30 O
625
+ ATOM 625 OG1 THR A 77 19.627 7.245 17.830 1.00 75.82 O
626
+ ATOM 626 C GLN A 78 16.838 8.612 11.938 1.00 90.40 C
627
+ ATOM 627 CA GLN A 78 18.233 9.131 12.277 1.00 89.94 C
628
+ ATOM 628 CB GLN A 78 19.130 9.073 11.040 1.00 87.57 C
629
+ ATOM 629 CD GLN A 78 21.448 9.401 10.079 1.00 73.94 C
630
+ ATOM 630 CG GLN A 78 20.540 9.593 11.279 1.00 78.12 C
631
+ ATOM 631 N GLN A 78 18.823 8.372 13.376 1.00 89.51 N
632
+ ATOM 632 NE2 GLN A 78 22.741 9.643 10.268 1.00 64.83 N
633
+ ATOM 633 O GLN A 78 16.556 7.422 12.097 1.00 89.41 O
634
+ ATOM 634 OE1 GLN A 78 20.992 9.038 8.991 1.00 71.36 O
635
+ ATOM 635 C PHE A 79 14.323 9.734 9.659 1.00 91.25 C
636
+ ATOM 636 CA PHE A 79 14.707 9.211 11.038 1.00 91.47 C
637
+ ATOM 637 CB PHE A 79 13.745 9.762 12.095 1.00 91.09 C
638
+ ATOM 638 CD1 PHE A 79 13.652 8.157 14.031 1.00 88.92 C
639
+ ATOM 639 CD2 PHE A 79 14.875 10.194 14.298 1.00 88.96 C
640
+ ATOM 640 CE1 PHE A 79 13.976 7.785 15.334 1.00 89.05 C
641
+ ATOM 641 CE2 PHE A 79 15.203 9.830 15.601 1.00 89.30 C
642
+ ATOM 642 CG PHE A 79 14.098 9.363 13.503 1.00 90.59 C
643
+ ATOM 643 CZ PHE A 79 14.752 8.625 16.117 1.00 88.43 C
644
+ ATOM 644 N PHE A 79 16.084 9.564 11.362 1.00 90.93 N
645
+ ATOM 645 O PHE A 79 14.798 10.791 9.237 1.00 90.47 O
646
+ ATOM 646 C ASN A 80 11.969 10.456 7.699 1.00 91.15 C
647
+ ATOM 647 CA ASN A 80 13.012 9.342 7.696 1.00 91.05 C
648
+ ATOM 648 CB ASN A 80 12.477 8.116 6.953 1.00 89.19 C
649
+ ATOM 649 CG ASN A 80 13.555 7.088 6.670 1.00 80.87 C
650
+ ATOM 650 N ASN A 80 13.416 8.983 9.051 1.00 91.17 N
651
+ ATOM 651 ND2 ASN A 80 13.166 5.820 6.619 1.00 73.05 N
652
+ ATOM 652 O ASN A 80 11.688 11.053 6.658 1.00 89.91 O
653
+ ATOM 653 OD1 ASN A 80 14.727 7.432 6.499 1.00 73.44 O
654
+ ATOM 654 C SER A 81 10.326 12.319 10.319 1.00 93.09 C
655
+ ATOM 655 CA SER A 81 10.374 11.745 8.907 1.00 92.34 C
656
+ ATOM 656 CB SER A 81 9.000 11.194 8.525 1.00 91.32 C
657
+ ATOM 657 N SER A 81 11.392 10.707 8.790 1.00 91.78 N
658
+ ATOM 658 O SER A 81 10.801 11.688 11.266 1.00 92.95 O
659
+ ATOM 659 OG SER A 81 8.544 10.265 9.494 1.00 87.48 O
660
+ ATOM 660 C LEU A 82 8.627 13.323 12.589 1.00 94.44 C
661
+ ATOM 661 CA LEU A 82 9.580 14.150 11.733 1.00 93.96 C
662
+ ATOM 662 CB LEU A 82 9.046 15.578 11.588 1.00 92.46 C
663
+ ATOM 663 CD1 LEU A 82 9.314 17.938 10.784 1.00 73.58 C
664
+ ATOM 664 CD2 LEU A 82 11.178 16.823 12.041 1.00 73.44 C
665
+ ATOM 665 CG LEU A 82 10.032 16.620 11.056 1.00 84.05 C
666
+ ATOM 666 N LEU A 82 9.764 13.538 10.421 1.00 93.34 N
667
+ ATOM 667 O LEU A 82 8.770 13.275 13.813 1.00 94.16 O
668
+ ATOM 668 C GLN A 83 7.386 10.627 13.368 1.00 94.83 C
669
+ ATOM 669 CA GLN A 83 6.663 11.787 12.691 1.00 94.86 C
670
+ ATOM 670 CB GLN A 83 5.595 11.253 11.735 1.00 94.01 C
671
+ ATOM 671 CD GLN A 83 5.066 12.887 9.876 1.00 86.59 C
672
+ ATOM 672 CG GLN A 83 4.641 12.322 11.218 1.00 89.97 C
673
+ ATOM 673 N GLN A 83 7.600 12.650 11.981 1.00 94.66 N
674
+ ATOM 674 NE2 GLN A 83 4.093 13.316 9.079 1.00 84.42 N
675
+ ATOM 675 O GLN A 83 7.119 10.316 14.531 1.00 94.41 O
676
+ ATOM 676 OE1 GLN A 83 6.259 12.941 9.558 1.00 85.50 O
677
+ ATOM 677 C GLN A 84 9.963 9.437 14.364 1.00 94.28 C
678
+ ATOM 678 CA GLN A 84 9.082 8.950 13.217 1.00 94.18 C
679
+ ATOM 679 CB GLN A 84 9.940 8.268 12.150 1.00 93.07 C
680
+ ATOM 680 CD GLN A 84 10.016 6.754 10.122 1.00 81.25 C
681
+ ATOM 681 CG GLN A 84 9.139 7.437 11.156 1.00 86.18 C
682
+ ATOM 682 N GLN A 84 8.320 10.051 12.636 1.00 94.12 N
683
+ ATOM 683 NE2 GLN A 84 9.387 6.086 9.161 1.00 74.92 N
684
+ ATOM 684 O GLN A 84 10.123 8.740 15.368 1.00 93.73 O
685
+ ATOM 685 OE1 GLN A 84 11.247 6.828 10.187 1.00 79.16 O
686
+ ATOM 686 C LEU A 85 10.545 11.435 16.466 1.00 94.55 C
687
+ ATOM 687 CA LEU A 85 11.353 11.203 15.194 1.00 94.28 C
688
+ ATOM 688 CB LEU A 85 11.959 12.524 14.712 1.00 93.35 C
689
+ ATOM 689 CD1 LEU A 85 13.991 13.976 14.938 1.00 79.37 C
690
+ ATOM 690 CD2 LEU A 85 12.097 14.210 16.567 1.00 79.59 C
691
+ ATOM 691 CG LEU A 85 12.887 13.243 15.693 1.00 87.88 C
692
+ ATOM 692 N LEU A 85 10.523 10.612 14.151 1.00 93.94 N
693
+ ATOM 693 O LEU A 85 10.950 11.009 17.550 1.00 94.22 O
694
+ ATOM 694 C VAL A 86 8.053 11.035 18.158 1.00 94.91 C
695
+ ATOM 695 CA VAL A 86 8.533 12.336 17.518 1.00 95.17 C
696
+ ATOM 696 CB VAL A 86 7.323 13.212 17.121 1.00 94.73 C
697
+ ATOM 697 CG1 VAL A 86 6.316 13.291 18.267 1.00 93.27 C
698
+ ATOM 698 CG2 VAL A 86 7.788 14.610 16.717 1.00 92.85 C
699
+ ATOM 699 N VAL A 86 9.379 12.038 16.367 1.00 94.99 N
700
+ ATOM 700 O VAL A 86 8.041 10.908 19.384 1.00 94.31 O
701
+ ATOM 701 C ALA A 87 8.321 8.073 18.679 1.00 94.82 C
702
+ ATOM 702 CA ALA A 87 7.223 8.750 17.863 1.00 94.99 C
703
+ ATOM 703 CB ALA A 87 6.774 7.839 16.723 1.00 94.17 C
704
+ ATOM 704 N ALA A 87 7.675 10.036 17.339 1.00 95.10 N
705
+ ATOM 705 O ALA A 87 8.058 7.528 19.753 1.00 94.16 O
706
+ ATOM 706 C TYR A 88 10.848 8.233 20.214 1.00 94.38 C
707
+ ATOM 707 CA TYR A 88 10.628 7.565 18.862 1.00 94.54 C
708
+ ATOM 708 CB TYR A 88 11.902 7.662 18.018 1.00 94.04 C
709
+ ATOM 709 CD1 TYR A 88 13.415 5.742 18.657 1.00 89.17 C
710
+ ATOM 710 CD2 TYR A 88 13.998 7.938 19.396 1.00 88.90 C
711
+ ATOM 711 CE1 TYR A 88 14.541 5.224 19.287 1.00 88.48 C
712
+ ATOM 712 CE2 TYR A 88 15.127 7.431 20.031 1.00 88.78 C
713
+ ATOM 713 CG TYR A 88 13.127 7.105 18.702 1.00 92.35 C
714
+ ATOM 714 CZ TYR A 88 15.390 6.074 19.971 1.00 87.10 C
715
+ ATOM 715 N TYR A 88 9.501 8.169 18.160 1.00 94.48 N
716
+ ATOM 716 O TYR A 88 10.967 7.553 21.237 1.00 93.73 O
717
+ ATOM 717 OH TYR A 88 16.506 5.567 20.596 1.00 81.06 O
718
+ ATOM 718 C TYR A 89 10.004 10.246 22.457 1.00 94.14 C
719
+ ATOM 719 CA TYR A 89 11.205 10.236 21.518 1.00 94.46 C
720
+ ATOM 720 CB TYR A 89 11.646 11.673 21.221 1.00 94.01 C
721
+ ATOM 721 CD1 TYR A 89 14.127 11.448 21.637 1.00 91.17 C
722
+ ATOM 722 CD2 TYR A 89 13.403 12.234 19.500 1.00 90.93 C
723
+ ATOM 723 CE1 TYR A 89 15.454 11.553 21.233 1.00 90.58 C
724
+ ATOM 724 CE2 TYR A 89 14.727 12.343 19.086 1.00 90.67 C
725
+ ATOM 725 CG TYR A 89 13.084 11.787 20.778 1.00 93.29 C
726
+ ATOM 726 CZ TYR A 89 15.744 12.000 19.958 1.00 89.79 C
727
+ ATOM 727 N TYR A 89 10.892 9.531 20.279 1.00 94.16 N
728
+ ATOM 728 O TYR A 89 10.116 10.665 23.612 1.00 93.32 O
729
+ ATOM 729 OH TYR A 89 17.055 12.106 19.553 1.00 86.39 O
730
+ ATOM 730 C SER A 90 7.880 8.333 23.642 1.00 94.24 C
731
+ ATOM 731 CA SER A 90 7.706 9.609 22.825 1.00 94.98 C
732
+ ATOM 732 CB SER A 90 6.418 9.526 22.004 1.00 94.17 C
733
+ ATOM 733 N SER A 90 8.854 9.841 21.954 1.00 95.08 N
734
+ ATOM 734 O SER A 90 7.259 8.175 24.695 1.00 92.78 O
735
+ ATOM 735 OG SER A 90 6.118 10.778 21.411 1.00 84.11 O
736
+ ATOM 736 C LYS A 91 10.414 6.222 24.599 1.00 92.96 C
737
+ ATOM 737 CA LYS A 91 9.066 6.216 23.885 1.00 93.74 C
738
+ ATOM 738 CB LYS A 91 9.005 5.055 22.890 1.00 92.40 C
739
+ ATOM 739 CD LYS A 91 7.635 3.674 21.292 1.00 80.36 C
740
+ ATOM 740 CE LYS A 91 6.287 3.518 20.602 1.00 73.15 C
741
+ ATOM 741 CG LYS A 91 7.634 4.847 22.265 1.00 84.92 C
742
+ ATOM 742 N LYS A 91 8.825 7.486 23.206 1.00 94.19 N
743
+ ATOM 743 NZ LYS A 91 6.296 2.394 19.618 1.00 66.85 N
744
+ ATOM 744 O LYS A 91 10.609 5.494 25.574 1.00 91.25 O
745
+ ATOM 745 C HIS A 92 13.146 8.576 24.792 1.00 89.67 C
746
+ ATOM 746 CA HIS A 92 12.695 7.136 24.570 1.00 90.85 C
747
+ ATOM 747 CB HIS A 92 13.649 6.430 23.605 1.00 88.68 C
748
+ ATOM 748 CD2 HIS A 92 13.393 3.852 23.745 1.00 72.88 C
749
+ ATOM 749 CE1 HIS A 92 12.155 3.564 21.959 1.00 73.60 C
750
+ ATOM 750 CG HIS A 92 13.184 5.069 23.190 1.00 80.52 C
751
+ ATOM 751 N HIS A 92 11.327 7.083 24.067 1.00 90.96 N
752
+ ATOM 752 ND1 HIS A 92 12.406 4.857 22.074 1.00 70.63 N
753
+ ATOM 753 NE2 HIS A 92 12.742 2.931 22.960 1.00 73.23 N
754
+ ATOM 754 O HIS A 92 12.951 9.432 23.926 1.00 87.26 O
755
+ ATOM 755 C ALA A 93 15.579 10.408 25.354 1.00 85.57 C
756
+ ATOM 756 CA ALA A 93 14.264 10.217 26.106 1.00 86.58 C
757
+ ATOM 757 CB ALA A 93 14.457 10.511 27.592 1.00 84.50 C
758
+ ATOM 758 N ALA A 93 13.743 8.866 25.918 1.00 86.92 N
759
+ ATOM 759 O ALA A 93 15.776 11.424 24.683 1.00 82.67 O
760
+ ATOM 760 C ASP A 94 18.405 10.667 24.311 1.00 86.54 C
761
+ ATOM 761 CA ASP A 94 17.683 9.334 24.489 1.00 87.07 C
762
+ ATOM 762 CB ASP A 94 17.408 8.698 23.125 1.00 83.81 C
763
+ ATOM 763 CG ASP A 94 17.255 7.189 23.195 1.00 74.44 C
764
+ ATOM 764 N ASP A 94 16.439 9.507 25.233 1.00 87.76 N
765
+ ATOM 765 O ASP A 94 18.729 11.059 23.188 1.00 81.60 O
766
+ ATOM 766 OD1 ASP A 94 17.418 6.609 24.290 1.00 64.47 O
767
+ ATOM 767 OD2 ASP A 94 16.972 6.574 22.143 1.00 70.02 O
768
+ ATOM 768 C GLY A 95 18.626 13.854 25.494 1.00 85.87 C
769
+ ATOM 769 CA GLY A 95 19.504 12.639 25.265 1.00 85.18 C
770
+ ATOM 770 N GLY A 95 18.771 11.384 25.314 1.00 85.26 N
771
+ ATOM 771 O GLY A 95 19.129 14.969 25.657 1.00 84.65 O
772
+ ATOM 772 C LEU A 96 16.250 14.895 27.266 1.00 90.30 C
773
+ ATOM 773 CA LEU A 96 16.418 14.770 25.756 1.00 90.88 C
774
+ ATOM 774 CB LEU A 96 15.058 14.526 25.097 1.00 90.24 C
775
+ ATOM 775 CD1 LEU A 96 13.630 14.439 23.038 1.00 86.40 C
776
+ ATOM 776 CD2 LEU A 96 15.906 15.490 22.940 1.00 86.74 C
777
+ ATOM 777 CG LEU A 96 15.056 14.393 23.573 1.00 89.11 C
778
+ ATOM 778 N LEU A 96 17.348 13.696 25.422 1.00 90.27 N
779
+ ATOM 779 O LEU A 96 16.569 13.964 28.009 1.00 89.03 O
780
+ ATOM 780 C CYS A 97 14.427 15.298 29.627 1.00 90.23 C
781
+ ATOM 781 CA CYS A 97 15.503 16.237 29.094 1.00 90.71 C
782
+ ATOM 782 CB CYS A 97 15.082 17.690 29.319 1.00 89.78 C
783
+ ATOM 783 N CYS A 97 15.757 15.991 27.679 1.00 90.39 N
784
+ ATOM 784 O CYS A 97 14.402 14.988 30.819 1.00 88.68 O
785
+ ATOM 785 SG CYS A 97 13.582 18.158 28.430 1.00 91.27 S
786
+ ATOM 786 C HIS A 98 11.860 13.425 27.819 1.00 91.57 C
787
+ ATOM 787 CA HIS A 98 12.444 14.026 29.092 1.00 91.38 C
788
+ ATOM 788 CB HIS A 98 11.354 14.760 29.875 1.00 90.28 C
789
+ ATOM 789 CD2 HIS A 98 10.320 13.545 31.919 1.00 79.99 C
790
+ ATOM 790 CE1 HIS A 98 8.779 12.402 30.858 1.00 81.69 C
791
+ ATOM 791 CG HIS A 98 10.422 13.847 30.604 1.00 85.55 C
792
+ ATOM 792 N HIS A 98 13.551 14.928 28.790 1.00 90.60 N
793
+ ATOM 793 ND1 HIS A 98 9.444 13.115 29.964 1.00 79.69 N
794
+ ATOM 794 NE2 HIS A 98 9.292 12.644 32.052 1.00 81.98 N
795
+ ATOM 795 O HIS A 98 11.994 14.001 26.736 1.00 90.91 O
796
+ ATOM 796 C ARG A 99 9.347 12.727 26.521 1.00 93.17 C
797
+ ATOM 797 CA ARG A 99 10.517 11.808 26.855 1.00 92.86 C
798
+ ATOM 798 CB ARG A 99 10.008 10.394 27.141 1.00 90.76 C
799
+ ATOM 799 CD ARG A 99 8.607 8.879 28.585 1.00 76.43 C
800
+ ATOM 800 CG ARG A 99 9.050 10.311 28.318 1.00 80.12 C
801
+ ATOM 801 CZ ARG A 99 6.484 8.754 29.846 1.00 67.96 C
802
+ ATOM 802 N ARG A 99 11.277 12.320 27.990 1.00 92.47 N
803
+ ATOM 803 NE ARG A 99 7.813 8.779 29.806 1.00 72.66 N
804
+ ATOM 804 NH1 ARG A 99 5.771 8.822 28.728 1.00 57.50 N
805
+ ATOM 805 NH2 ARG A 99 5.863 8.660 31.013 1.00 52.50 N
806
+ ATOM 806 O ARG A 99 8.841 13.438 27.391 1.00 92.63 O
807
+ ATOM 807 C LEU A 100 6.428 12.870 25.253 1.00 93.21 C
808
+ ATOM 808 CA LEU A 100 7.735 13.497 24.779 1.00 94.47 C
809
+ ATOM 809 CB LEU A 100 7.725 13.634 23.254 1.00 93.62 C
810
+ ATOM 810 CD1 LEU A 100 8.901 14.074 21.084 1.00 86.23 C
811
+ ATOM 811 CD2 LEU A 100 9.502 15.402 23.126 1.00 86.65 C
812
+ ATOM 812 CG LEU A 100 9.046 14.046 22.601 1.00 91.22 C
813
+ ATOM 813 N LEU A 100 8.880 12.705 25.213 1.00 93.89 N
814
+ ATOM 814 O LEU A 100 6.061 11.780 24.808 1.00 91.23 O
815
+ ATOM 815 C THR A 101 3.179 13.485 26.273 1.00 92.45 C
816
+ ATOM 816 CA THR A 101 4.497 12.886 26.757 1.00 93.36 C
817
+ ATOM 817 CB THR A 101 4.589 13.013 28.289 1.00 91.67 C
818
+ ATOM 818 CG2 THR A 101 5.794 12.251 28.832 1.00 74.49 C
819
+ ATOM 819 N THR A 101 5.629 13.532 26.103 1.00 93.82 N
820
+ ATOM 820 O THR A 101 2.188 12.770 26.112 1.00 90.15 O
821
+ ATOM 821 OG1 THR A 101 4.715 14.396 28.641 1.00 75.70 O
822
+ ATOM 822 C THR A 102 2.199 16.564 24.711 1.00 93.99 C
823
+ ATOM 823 CA THR A 102 1.934 15.492 25.765 1.00 93.64 C
824
+ ATOM 824 CB THR A 102 1.302 16.139 27.012 1.00 91.93 C
825
+ ATOM 825 CG2 THR A 102 -0.058 16.747 26.685 1.00 71.45 C
826
+ ATOM 826 N THR A 102 3.164 14.784 26.102 1.00 93.54 N
827
+ ATOM 827 O THR A 102 3.162 17.325 24.821 1.00 93.45 O
828
+ ATOM 828 OG1 THR A 102 1.137 15.142 28.028 1.00 73.10 O
829
+ ATOM 829 C VAL A 103 0.965 19.022 23.408 1.00 94.65 C
830
+ ATOM 830 CA VAL A 103 1.404 17.708 22.768 1.00 94.92 C
831
+ ATOM 831 CB VAL A 103 0.536 17.403 21.526 1.00 94.21 C
832
+ ATOM 832 CG1 VAL A 103 0.529 18.591 20.567 1.00 90.95 C
833
+ ATOM 833 CG2 VAL A 103 1.040 16.145 20.820 1.00 90.35 C
834
+ ATOM 834 N VAL A 103 1.331 16.631 23.751 1.00 94.74 N
835
+ ATOM 835 O VAL A 103 -0.023 19.062 24.146 1.00 93.94 O
836
+ ATOM 836 C CYS A 104 0.041 21.821 23.289 1.00 93.08 C
837
+ ATOM 837 CA CYS A 104 1.412 21.358 23.766 1.00 94.39 C
838
+ ATOM 838 CB CYS A 104 2.477 22.373 23.350 1.00 93.33 C
839
+ ATOM 839 N CYS A 104 1.731 20.037 23.236 1.00 94.31 N
840
+ ATOM 840 O CYS A 104 -0.239 21.813 22.089 1.00 90.57 O
841
+ ATOM 841 SG CYS A 104 2.289 23.988 24.138 1.00 87.52 S
842
+ ATOM 842 C PRO A 105 -2.021 24.106 23.074 1.00 88.25 C
843
+ ATOM 843 CA PRO A 105 -2.140 22.761 23.788 1.00 89.87 C
844
+ ATOM 844 CB PRO A 105 -2.916 22.906 25.099 1.00 88.25 C
845
+ ATOM 845 CD PRO A 105 -0.712 22.018 25.613 1.00 84.39 C
846
+ ATOM 846 CG PRO A 105 -2.129 22.121 26.098 1.00 84.64 C
847
+ ATOM 847 N PRO A 105 -0.844 22.233 24.220 1.00 90.82 N
848
+ ATOM 848 O PRO A 105 -1.110 24.885 23.366 1.00 85.23 O
849
+ ATOM 849 C THR A 106 -3.438 26.703 22.115 1.00 76.11 C
850
+ ATOM 850 CA THR A 106 -2.775 25.624 21.263 1.00 78.03 C
851
+ ATOM 851 CB THR A 106 -3.500 25.518 19.909 1.00 73.28 C
852
+ ATOM 852 CG2 THR A 106 -2.672 24.727 18.902 1.00 65.01 C
853
+ ATOM 853 N THR A 106 -2.770 24.344 21.962 1.00 79.41 N
854
+ ATOM 854 O THR A 106 -4.352 26.414 22.890 1.00 70.71 O
855
+ ATOM 855 OG1 THR A 106 -4.759 24.861 20.096 1.00 65.98 O
856
+ TER 856 THR A 106
857
+ END
1o4e/1o4e_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pyw/1pyw_ligand.mol2 ADDED
@@ -0,0 +1,312 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1pyw_ligand
7
+ 148 148 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C -25.1730 61.6680 17.3530 C.2 1 ACE 0.1752
14
+ 2 O -25.6460 60.6640 17.8910 O.2 1 ACE -0.3972
15
+ 3 CH3 -24.1350 62.5130 18.1030 C.3 1 ACE 0.0258
16
+ 4 N -25.5740 62.0880 16.1540 N.am 1 PHE -0.2640
17
+ 5 CA -26.5550 61.3010 15.4180 C.3 1 PHE 0.1404
18
+ 6 C -26.0320 59.9010 15.1300 C.2 1 PHE 0.2060
19
+ 7 O -24.8410 59.7060 14.9640 O.2 1 PHE -0.3942
20
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21
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22
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23
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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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39
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41
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42
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43
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108
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109
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110
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111
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112
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114
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116
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The diff for this file is too large to render. See raw diff
 
1qku/1qku_protein_processed_fix.pdb ADDED
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1xon/1xon_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xon/1xon_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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