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Graph Machine Learning
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add datasets

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  1. .gitattributes +21 -0
  2. crossdocked_pocket10/data_test.pt +3 -0
  3. crossdocked_pocket10/data_train.pt +3 -0
  4. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10044_5tl5_A.pdb +768 -0
  5. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10044_5tl5_HL.pdb +0 -0
  6. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10044_5tl5_HL_A.pdb +0 -0
  7. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10225_7d6i_A.pdb +0 -0
  8. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10225_7d6i_BC.pdb +0 -0
  9. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10225_7d6i_BC_A.pdb +0 -0
  10. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10677_7chb_HL.pdb +0 -0
  11. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10677_7chb_HL_R.pdb +0 -0
  12. sabdab_v0.5.2_diffab_chothia/raw_pdbs/10677_7chb_R.pdb +0 -0
  13. sabdab_v0.5.2_diffab_chothia/raw_pdbs/11441_5w9h_D.pdb +0 -0
  14. sabdab_v0.5.2_diffab_chothia/raw_pdbs/11441_5w9h_EF.pdb +0 -0
  15. sabdab_v0.5.2_diffab_chothia/raw_pdbs/11441_5w9h_EF_D.pdb +0 -0
  16. sabdab_v0.5.2_diffab_chothia/raw_pdbs/11733_5tlk_HG.pdb +0 -0
  17. sabdab_v0.5.2_diffab_chothia/raw_pdbs/11733_5tlk_HG_Y.pdb +0 -0
  18. sabdab_v0.5.2_diffab_chothia/raw_pdbs/11733_5tlk_Y.pdb +620 -0
  19. sabdab_v0.5.2_diffab_chothia/raw_pdbs/12351_5w9h_A.pdb +0 -0
  20. sabdab_v0.5.2_diffab_chothia/raw_pdbs/12351_5w9h_BC.pdb +0 -0
  21. sabdab_v0.5.2_diffab_chothia/raw_pdbs/12351_5w9h_BC_A.pdb +0 -0
  22. sabdab_v0.5.2_diffab_chothia/raw_pdbs/13466_7che_AB.pdb +0 -0
  23. sabdab_v0.5.2_diffab_chothia/raw_pdbs/13466_7che_AB_R.pdb +0 -0
  24. sabdab_v0.5.2_diffab_chothia/raw_pdbs/13466_7che_R.pdb +0 -0
  25. sabdab_v0.5.2_diffab_chothia/raw_pdbs/14162_5tlk_DC.pdb +0 -0
  26. sabdab_v0.5.2_diffab_chothia/raw_pdbs/14162_5tlk_DC_X.pdb +0 -0
  27. sabdab_v0.5.2_diffab_chothia/raw_pdbs/14162_5tlk_X.pdb +620 -0
  28. sabdab_v0.5.2_diffab_chothia/raw_pdbs/3416_8ds5_A.pdb +747 -0
  29. sabdab_v0.5.2_diffab_chothia/raw_pdbs/3416_8ds5_CB.pdb +0 -0
  30. sabdab_v0.5.2_diffab_chothia/raw_pdbs/3416_8ds5_CB_A.pdb +0 -0
  31. sabdab_v0.5.2_diffab_chothia/raw_pdbs/4877_5xku_A.pdb +0 -0
  32. sabdab_v0.5.2_diffab_chothia/raw_pdbs/4877_5xku_CB.pdb +0 -0
  33. sabdab_v0.5.2_diffab_chothia/raw_pdbs/4877_5xku_CB_A.pdb +0 -0
  34. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5066_7chf_AB.pdb +0 -0
  35. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5066_7chf_AB_R.pdb +0 -0
  36. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5066_7chf_R.pdb +0 -0
  37. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5394_7chf_HL.pdb +0 -0
  38. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5394_7chf_HL_R.pdb +0 -0
  39. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5394_7chf_R.pdb +0 -0
  40. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5923_5tlj_DC.pdb +0 -0
  41. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5923_5tlj_DC_X.pdb +0 -0
  42. sabdab_v0.5.2_diffab_chothia/raw_pdbs/5923_5tlj_X.pdb +620 -0
  43. sabdab_v0.5.2_diffab_chothia/raw_pdbs/6497_7che_HL.pdb +0 -0
  44. sabdab_v0.5.2_diffab_chothia/raw_pdbs/6497_7che_HL_R.pdb +0 -0
  45. sabdab_v0.5.2_diffab_chothia/raw_pdbs/6497_7che_R.pdb +0 -0
  46. sabdab_v0.5.2_diffab_chothia/raw_pdbs/7914_5tlk_FE.pdb +0 -0
  47. sabdab_v0.5.2_diffab_chothia/raw_pdbs/7914_5tlk_FE_Y.pdb +0 -0
  48. sabdab_v0.5.2_diffab_chothia/raw_pdbs/7914_5tlk_Y.pdb +620 -0
  49. sabdab_v0.5.2_diffab_chothia/raw_pdbs/8691_5tlk_BA.pdb +0 -0
  50. sabdab_v0.5.2_diffab_chothia/raw_pdbs/8691_5tlk_BA_X.pdb +0 -0
.gitattributes ADDED
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+ crossdocked_pocket10/data_test.pt filter=lfs diff=lfs merge=lfs -text
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+ crossdocked_pocket10/data_train.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/10044_5tl5_HL_A.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/10225_7d6i_BC_A.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/10677_7chb_HL_R.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/11441_5w9h_EF_D.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/12351_5w9h_BC_A.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/13466_7che_AB_R.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/4877_5xku_CB_A.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/5066_7chf_AB_R.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/5394_7chf_HL_R.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/6497_7che_HL_R.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/9188_5w9h_HI_G.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/9258_7bwj_HL_E.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_cdr_aug_all_mod.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_H1_mod.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_H2_mod.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_L1_mod.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_L2_mod.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_L3_mod.pt filter=lfs diff=lfs merge=lfs -text
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+ sabdab_v0.5.2_diffab_chothia/test/filtered_sabdab_v0.5.2_diffab_chothia_data_test_mod.pt filter=lfs diff=lfs merge=lfs -text
crossdocked_pocket10/data_test.pt ADDED
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crossdocked_pocket10/data_train.pt ADDED
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+ size 682994719
sabdab_v0.5.2_diffab_chothia/raw_pdbs/10044_5tl5_A.pdb ADDED
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1
+ ATOM 1 N ALA A 3 65.950 -0.917 10.655 1.00 97.98 N
2
+ ATOM 2 CA ALA A 3 64.835 -0.631 11.610 1.00 97.24 C
3
+ ATOM 3 C ALA A 3 65.113 0.529 12.587 1.00 95.44 C
4
+ ATOM 4 O ALA A 3 64.267 1.416 12.730 1.00 93.99 O
5
+ ATOM 5 CB ALA A 3 64.425 -1.905 12.365 1.00 97.09 C
6
+ ATOM 6 N PRO A 4 66.289 0.534 13.262 1.00 93.54 N
7
+ ATOM 7 CA PRO A 4 66.532 1.610 14.227 1.00 90.48 C
8
+ ATOM 8 C PRO A 4 67.205 2.842 13.609 1.00 85.73 C
9
+ ATOM 9 O PRO A 4 68.400 2.809 13.298 1.00 87.90 O
10
+ ATOM 10 CB PRO A 4 67.453 0.948 15.264 1.00 90.55 C
11
+ ATOM 11 CG PRO A 4 68.056 -0.264 14.567 1.00 91.00 C
12
+ ATOM 12 CD PRO A 4 67.433 -0.396 13.204 1.00 94.01 C
13
+ ATOM 13 N LYS A 5 66.437 3.916 13.436 1.00 78.33 N
14
+ ATOM 14 CA LYS A 5 66.960 5.150 12.847 1.00 69.39 C
15
+ ATOM 15 C LYS A 5 66.826 6.337 13.806 1.00 60.75 C
16
+ ATOM 16 O LYS A 5 65.754 6.940 13.934 1.00 61.65 O
17
+ ATOM 17 CB LYS A 5 66.283 5.437 11.501 1.00 70.00 C
18
+ ATOM 18 CG LYS A 5 67.114 6.296 10.550 1.00 63.95 C
19
+ ATOM 19 CD LYS A 5 66.635 6.186 9.103 1.00 84.84 C
20
+ ATOM 20 CE LYS A 5 67.400 5.122 8.315 1.00 95.05 C
21
+ ATOM 21 NZ LYS A 5 67.091 3.723 8.739 1.00 68.14 N
22
+ ATOM 22 N SER A 6 67.927 6.665 14.477 1.00 53.77 N
23
+ ATOM 23 CA SER A 6 67.957 7.786 15.420 1.00 42.06 C
24
+ ATOM 24 C SER A 6 68.577 9.023 14.791 1.00 35.71 C
25
+ ATOM 25 O SER A 6 68.035 10.127 14.898 1.00 33.43 O
26
+ ATOM 26 CB SER A 6 68.704 7.400 16.695 1.00 43.62 C
27
+ ATOM 27 OG SER A 6 70.056 7.088 16.432 1.00 44.65 O
28
+ ATOM 28 N CYS A 7 69.721 8.840 14.131 1.00 26.37 N
29
+ ATOM 29 CA CYS A 7 70.433 9.961 13.549 1.00 24.66 C
30
+ ATOM 30 C CYS A 7 70.895 9.598 12.127 1.00 28.93 C
31
+ ATOM 31 O CYS A 7 70.962 8.414 11.785 1.00 30.39 O
32
+ ATOM 32 CB CYS A 7 71.641 10.311 14.425 1.00 26.81 C
33
+ ATOM 33 SG CYS A 7 71.216 10.968 16.080 1.00 32.38 S
34
+ ATOM 34 N PRO A 8 71.214 10.611 11.304 1.00 30.66 N
35
+ ATOM 35 CA PRO A 8 71.787 10.303 9.986 1.00 36.28 C
36
+ ATOM 36 C PRO A 8 73.145 9.612 10.066 1.00 36.95 C
37
+ ATOM 37 O PRO A 8 73.731 9.483 11.148 1.00 34.14 O
38
+ ATOM 38 CB PRO A 8 71.910 11.673 9.307 1.00 34.52 C
39
+ ATOM 39 CG PRO A 8 71.784 12.679 10.378 1.00 36.05 C
40
+ ATOM 40 CD PRO A 8 71.059 12.060 11.529 1.00 34.83 C
41
+ ATOM 41 N GLU A 9 73.639 9.168 8.915 1.00 38.92 N
42
+ ATOM 42 CA GLU A 9 74.912 8.471 8.843 1.00 40.56 C
43
+ ATOM 43 C GLU A 9 76.042 9.317 9.428 1.00 31.65 C
44
+ ATOM 44 O GLU A 9 76.062 10.542 9.263 1.00 35.11 O
45
+ ATOM 45 CB GLU A 9 75.217 8.096 7.386 1.00 46.36 C
46
+ ATOM 46 CG GLU A 9 75.513 6.619 7.192 1.00 45.64 C
47
+ ATOM 47 CD GLU A 9 74.389 5.724 7.685 1.00 76.72 C
48
+ ATOM 48 OE1 GLU A 9 73.238 5.901 7.231 1.00 75.35 O
49
+ ATOM 49 OE2 GLU A 9 74.658 4.842 8.528 1.00 97.06 O
50
+ ATOM 50 N ARG A 10 76.973 8.648 10.109 1.00 30.84 N
51
+ ATOM 51 CA ARG A 10 78.109 9.289 10.799 1.00 31.86 C
52
+ ATOM 52 C ARG A 10 77.671 10.343 11.836 1.00 30.51 C
53
+ ATOM 53 O ARG A 10 78.411 11.296 12.107 1.00 26.26 O
54
+ ATOM 54 CB ARG A 10 79.126 9.890 9.806 1.00 31.98 C
55
+ ATOM 55 CG ARG A 10 79.778 8.852 8.903 1.00 35.65 C
56
+ ATOM 56 CD ARG A 10 80.841 9.459 8.000 1.00 41.77 C
57
+ ATOM 57 NE ARG A 10 81.517 8.419 7.218 1.00 36.33 N
58
+ ATOM 58 CZ ARG A 10 82.312 8.652 6.175 1.00 45.23 C
59
+ ATOM 59 NH1 ARG A 10 82.546 9.894 5.768 1.00 37.60 N
60
+ ATOM 60 NH2 ARG A 10 82.876 7.633 5.535 1.00 44.25 N
61
+ ATOM 61 N HIS A 11 76.474 10.156 12.397 1.00 28.75 N
62
+ ATOM 62 CA HIS A 11 75.986 10.984 13.533 1.00 26.05 C
63
+ ATOM 63 C HIS A 11 75.598 10.038 14.660 1.00 26.67 C
64
+ ATOM 64 O HIS A 11 75.407 8.837 14.437 1.00 30.12 O
65
+ ATOM 65 CB HIS A 11 74.755 11.819 13.158 1.00 26.95 C
66
+ ATOM 66 CG HIS A 11 75.028 12.971 12.239 1.00 27.04 C
67
+ ATOM 67 ND1 HIS A 11 75.379 12.805 10.915 1.00 27.03 N
68
+ ATOM 68 CD2 HIS A 11 74.997 14.306 12.455 1.00 27.80 C
69
+ ATOM 69 CE1 HIS A 11 75.554 13.990 10.357 1.00 26.95 C
70
+ ATOM 70 NE2 HIS A 11 75.328 14.918 11.269 1.00 37.53 N
71
+ ATOM 71 N TYR A 12 75.477 10.569 15.883 1.00 28.63 N
72
+ ATOM 72 CA TYR A 12 75.136 9.737 17.037 1.00 25.40 C
73
+ ATOM 73 C TYR A 12 74.230 10.528 17.985 1.00 23.53 C
74
+ ATOM 74 O TYR A 12 74.252 11.751 17.988 1.00 24.37 O
75
+ ATOM 75 CB TYR A 12 76.403 9.261 17.775 1.00 27.67 C
76
+ ATOM 76 CG TYR A 12 77.156 10.357 18.498 1.00 27.17 C
77
+ ATOM 77 CD1 TYR A 12 77.975 11.236 17.796 1.00 25.69 C
78
+ ATOM 78 CD2 TYR A 12 77.050 10.518 19.885 1.00 20.02 C
79
+ ATOM 79 CE1 TYR A 12 78.668 12.236 18.425 1.00 23.68 C
80
+ ATOM 80 CE2 TYR A 12 77.751 11.535 20.539 1.00 21.60 C
81
+ ATOM 81 CZ TYR A 12 78.553 12.385 19.801 1.00 29.79 C
82
+ ATOM 82 OH TYR A 12 79.245 13.383 20.411 1.00 29.55 O
83
+ ATOM 83 N TRP A 13 73.443 9.822 18.778 1.00 25.31 N
84
+ ATOM 84 CA TRP A 13 72.550 10.477 19.742 1.00 26.38 C
85
+ ATOM 85 C TRP A 13 73.307 10.878 21.010 1.00 27.44 C
86
+ ATOM 86 O TRP A 13 73.754 10.017 21.780 1.00 27.12 O
87
+ ATOM 87 CB TRP A 13 71.387 9.539 20.053 1.00 26.00 C
88
+ ATOM 88 CG TRP A 13 70.193 10.147 20.777 1.00 24.88 C
89
+ ATOM 89 CD1 TRP A 13 69.710 9.764 22.004 1.00 25.30 C
90
+ ATOM 90 CD2 TRP A 13 69.342 11.222 20.331 1.00 21.74 C
91
+ ATOM 91 NE1 TRP A 13 68.618 10.532 22.347 1.00 28.30 N
92
+ ATOM 92 CE2 TRP A 13 68.370 11.432 21.342 1.00 28.17 C
93
+ ATOM 93 CE3 TRP A 13 69.304 12.025 19.186 1.00 24.33 C
94
+ ATOM 94 CZ2 TRP A 13 67.375 12.412 21.236 1.00 27.92 C
95
+ ATOM 95 CZ3 TRP A 13 68.309 13.005 19.081 1.00 28.04 C
96
+ ATOM 96 CH2 TRP A 13 67.360 13.185 20.104 1.00 27.85 C
97
+ ATOM 97 N ALA A 14 73.450 12.186 21.227 1.00 27.20 N
98
+ ATOM 98 CA ALA A 14 74.258 12.709 22.331 1.00 25.39 C
99
+ ATOM 99 C ALA A 14 73.418 13.319 23.460 1.00 24.50 C
100
+ ATOM 100 O ALA A 14 72.432 14.005 23.193 1.00 25.43 O
101
+ ATOM 101 CB ALA A 14 75.261 13.725 21.822 1.00 27.48 C
102
+ ATOM 102 N GLN A 15 73.825 13.057 24.703 1.00 25.00 N
103
+ ATOM 103 CA GLN A 15 73.196 13.655 25.893 1.00 26.28 C
104
+ ATOM 104 C GLN A 15 71.678 13.411 25.927 1.00 25.53 C
105
+ ATOM 105 O GLN A 15 70.893 14.209 26.479 1.00 24.32 O
106
+ ATOM 106 CB GLN A 15 73.537 15.154 25.974 1.00 24.28 C
107
+ ATOM 107 CG GLN A 15 75.047 15.443 26.054 1.00 29.86 C
108
+ ATOM 108 CD GLN A 15 75.681 14.948 27.357 1.00 45.88 C
109
+ ATOM 109 OE1 GLN A 15 75.049 14.955 28.418 1.00 37.09 O
110
+ ATOM 110 NE2 GLN A 15 76.936 14.516 27.279 1.00 35.77 N
111
+ ATOM 111 N GLY A 16 71.276 12.294 25.328 1.00 21.39 N
112
+ ATOM 112 CA GLY A 16 69.865 11.988 25.070 1.00 21.80 C
113
+ ATOM 113 C GLY A 16 69.018 13.070 24.412 1.00 27.25 C
114
+ ATOM 114 O GLY A 16 67.823 13.136 24.647 1.00 26.79 O
115
+ ATOM 115 N LYS A 17 69.614 13.931 23.582 1.00 23.12 N
116
+ ATOM 116 CA LYS A 17 68.915 15.156 23.198 1.00 25.72 C
117
+ ATOM 117 C LYS A 17 69.119 15.600 21.745 1.00 23.64 C
118
+ ATOM 118 O LYS A 17 68.217 16.189 21.151 1.00 24.07 O
119
+ ATOM 119 CB LYS A 17 69.324 16.294 24.150 1.00 22.66 C
120
+ ATOM 120 CG LYS A 17 68.640 17.644 23.902 1.00 19.95 C
121
+ ATOM 121 CD LYS A 17 69.335 18.706 24.755 1.00 23.12 C
122
+ ATOM 122 CE LYS A 17 68.638 20.053 24.648 1.00 26.53 C
123
+ ATOM 123 NZ LYS A 17 69.466 21.089 25.337 1.00 29.27 N
124
+ ATOM 124 N LEU A 18 70.302 15.312 21.198 1.00 24.35 N
125
+ ATOM 125 CA LEU A 18 70.729 15.861 19.917 1.00 25.61 C
126
+ ATOM 126 C LEU A 18 71.509 14.842 19.110 1.00 23.90 C
127
+ ATOM 127 O LEU A 18 72.131 13.938 19.675 1.00 23.37 O
128
+ ATOM 128 CB LEU A 18 71.676 17.061 20.130 1.00 32.26 C
129
+ ATOM 129 CG LEU A 18 71.452 18.204 21.117 1.00 35.17 C
130
+ ATOM 130 CD1 LEU A 18 72.788 18.832 21.449 1.00 37.16 C
131
+ ATOM 131 CD2 LEU A 18 70.486 19.235 20.560 1.00 40.66 C
132
+ ATOM 132 N CYS A 19 71.478 14.988 17.783 1.00 23.06 N
133
+ ATOM 133 CA CYS A 19 72.387 14.242 16.907 1.00 25.09 C
134
+ ATOM 134 C CYS A 19 73.663 15.051 16.666 1.00 22.02 C
135
+ ATOM 135 O CYS A 19 73.596 16.179 16.175 1.00 32.25 O
136
+ ATOM 136 CB CYS A 19 71.722 13.907 15.563 1.00 24.81 C
137
+ ATOM 137 SG CYS A 19 70.319 12.759 15.645 1.00 30.28 S
138
+ ATOM 138 N CYS A 20 74.818 14.478 17.010 1.00 23.50 N
139
+ ATOM 139 CA CYS A 20 76.105 15.129 16.755 1.00 25.66 C
140
+ ATOM 140 C CYS A 20 76.866 14.346 15.693 1.00 23.73 C
141
+ ATOM 141 O CYS A 20 76.659 13.139 15.554 1.00 24.55 O
142
+ ATOM 142 CB CYS A 20 76.955 15.193 18.019 1.00 30.24 C
143
+ ATOM 143 SG CYS A 20 76.200 16.082 19.379 1.00 29.36 S
144
+ ATOM 144 N GLN A 21 77.740 15.023 14.950 1.00 26.44 N
145
+ ATOM 145 CA GLN A 21 78.634 14.305 14.026 1.00 30.81 C
146
+ ATOM 146 C GLN A 21 79.666 13.511 14.819 1.00 29.14 C
147
+ ATOM 147 O GLN A 21 80.261 14.028 15.764 1.00 29.30 O
148
+ ATOM 148 CB GLN A 21 79.348 15.270 13.073 1.00 30.77 C
149
+ ATOM 149 CG GLN A 21 78.408 16.109 12.214 1.00 33.21 C
150
+ ATOM 150 CD GLN A 21 79.111 17.262 11.523 1.00 41.99 C
151
+ ATOM 151 OE1 GLN A 21 80.268 17.145 11.113 1.00 38.91 O
152
+ ATOM 152 NE2 GLN A 21 78.415 18.383 11.390 1.00 37.48 N
153
+ ATOM 153 N MET A 22 79.870 12.256 14.427 1.00 30.12 N
154
+ ATOM 154 CA MET A 22 80.872 11.391 15.051 1.00 27.39 C
155
+ ATOM 155 C MET A 22 82.283 11.951 14.859 1.00 28.52 C
156
+ ATOM 156 O MET A 22 82.504 12.834 14.021 1.00 33.48 O
157
+ ATOM 157 CB MET A 22 80.807 9.984 14.454 1.00 30.47 C
158
+ ATOM 158 CG MET A 22 79.554 9.211 14.735 1.00 31.72 C
159
+ ATOM 159 SD MET A 22 79.696 7.554 14.035 1.00 40.81 S
160
+ ATOM 160 CE MET A 22 78.119 6.841 14.477 1.00 49.32 C
161
+ ATOM 161 N CYS A 23 83.233 11.436 15.638 1.00 25.32 N
162
+ ATOM 162 CA CYS A 23 84.654 11.753 15.461 1.00 25.52 C
163
+ ATOM 163 C CYS A 23 85.218 10.969 14.273 1.00 27.18 C
164
+ ATOM 164 O CYS A 23 84.793 9.850 14.020 1.00 27.66 O
165
+ ATOM 165 CB CYS A 23 85.425 11.402 16.722 1.00 30.15 C
166
+ ATOM 166 SG CYS A 23 85.013 12.515 18.088 1.00 36.72 S
167
+ ATOM 167 N GLU A 24 86.171 11.559 13.554 1.00 30.99 N
168
+ ATOM 168 CA GLU A 24 86.773 10.872 12.399 1.00 31.03 C
169
+ ATOM 169 C GLU A 24 87.923 9.940 12.821 1.00 34.03 C
170
+ ATOM 170 O GLU A 24 88.470 10.086 13.921 1.00 30.40 O
171
+ ATOM 171 CB GLU A 24 87.241 11.886 11.343 1.00 36.30 C
172
+ ATOM 172 CG GLU A 24 88.362 12.818 11.790 1.00 43.08 C
173
+ ATOM 173 CD GLU A 24 88.739 13.843 10.732 1.00 99.00 C
174
+ ATOM 174 OE1 GLU A 24 89.947 14.134 10.595 1.00 74.59 O
175
+ ATOM 175 OE2 GLU A 24 87.833 14.355 10.039 1.00 74.08 O
176
+ ATOM 176 N PRO A 25 88.297 8.979 11.954 1.00 33.53 N
177
+ ATOM 177 CA PRO A 25 89.461 8.139 12.249 1.00 30.59 C
178
+ ATOM 178 C PRO A 25 90.665 8.980 12.662 1.00 28.62 C
179
+ ATOM 179 O PRO A 25 90.852 10.093 12.155 1.00 34.29 O
180
+ ATOM 180 CB PRO A 25 89.740 7.443 10.908 1.00 29.00 C
181
+ ATOM 181 CG PRO A 25 88.434 7.396 10.232 1.00 34.95 C
182
+ ATOM 182 CD PRO A 25 87.672 8.619 10.665 1.00 31.77 C
183
+ ATOM 183 N GLY A 26 91.472 8.451 13.575 1.00 33.86 N
184
+ ATOM 184 CA GLY A 26 92.671 9.140 14.037 1.00 31.81 C
185
+ ATOM 185 C GLY A 26 92.429 10.092 15.197 1.00 33.73 C
186
+ ATOM 186 O GLY A 26 93.322 10.848 15.563 1.00 32.88 O
187
+ ATOM 187 N THR A 27 91.225 10.054 15.772 1.00 32.27 N
188
+ ATOM 188 CA THR A 27 90.854 10.975 16.857 1.00 30.59 C
189
+ ATOM 189 C THR A 27 90.159 10.247 18.019 1.00 30.46 C
190
+ ATOM 190 O THR A 27 89.756 9.078 17.887 1.00 30.56 O
191
+ ATOM 191 CB THR A 27 89.959 12.170 16.362 1.00 31.03 C
192
+ ATOM 192 OG1 THR A 27 88.672 11.700 15.947 1.00 33.82 O
193
+ ATOM 193 CG2 THR A 27 90.621 12.950 15.203 1.00 35.45 C
194
+ ATOM 194 N PHE A 28 90.021 10.935 19.155 1.00 31.66 N
195
+ ATOM 195 CA PHE A 28 89.132 10.474 20.228 1.00 30.51 C
196
+ ATOM 196 C PHE A 28 88.147 11.572 20.609 1.00 29.70 C
197
+ ATOM 197 O PHE A 28 88.408 12.761 20.387 1.00 29.17 O
198
+ ATOM 198 CB PHE A 28 89.911 9.973 21.458 1.00 29.09 C
199
+ ATOM 199 CG PHE A 28 90.626 11.057 22.221 1.00 33.21 C
200
+ ATOM 200 CD1 PHE A 28 91.892 11.483 21.830 1.00 39.67 C
201
+ ATOM 201 CD2 PHE A 28 90.033 11.651 23.333 1.00 42.64 C
202
+ ATOM 202 CE1 PHE A 28 92.553 12.483 22.534 1.00 33.36 C
203
+ ATOM 203 CE2 PHE A 28 90.688 12.651 24.040 1.00 45.91 C
204
+ ATOM 204 CZ PHE A 28 91.948 13.066 23.641 1.00 41.61 C
205
+ ATOM 205 N LEU A 29 87.016 11.172 21.183 1.00 27.29 N
206
+ ATOM 206 CA LEU A 29 85.950 12.128 21.489 1.00 28.47 C
207
+ ATOM 207 C LEU A 29 86.224 12.840 22.809 1.00 32.43 C
208
+ ATOM 208 O LEU A 29 86.321 12.204 23.863 1.00 32.58 O
209
+ ATOM 209 CB LEU A 29 84.573 11.445 21.474 1.00 28.97 C
210
+ ATOM 210 CG LEU A 29 83.338 12.361 21.405 1.00 35.62 C
211
+ ATOM 211 CD1 LEU A 29 82.233 11.723 20.574 1.00 32.10 C
212
+ ATOM 212 CD2 LEU A 29 82.823 12.710 22.796 1.00 36.69 C
213
+ ATOM 213 N VAL A 30 86.345 14.162 22.730 1.00 27.93 N
214
+ ATOM 214 CA VAL A 30 86.583 15.004 23.894 1.00 33.73 C
215
+ ATOM 215 C VAL A 30 85.266 15.500 24.482 1.00 33.54 C
216
+ ATOM 216 O VAL A 30 85.023 15.350 25.687 1.00 38.32 O
217
+ ATOM 217 CB VAL A 30 87.488 16.217 23.557 1.00 37.17 C
218
+ ATOM 218 CG1 VAL A 30 87.660 17.116 24.781 1.00 38.21 C
219
+ ATOM 219 CG2 VAL A 30 88.849 15.752 23.055 1.00 38.83 C
220
+ ATOM 220 N LYS A 31 84.427 16.087 23.623 1.00 30.53 N
221
+ ATOM 221 CA LYS A 31 83.176 16.728 24.039 1.00 31.98 C
222
+ ATOM 222 C LYS A 31 82.104 16.560 22.953 1.00 30.07 C
223
+ ATOM 223 O LYS A 31 82.389 16.746 21.758 1.00 32.01 O
224
+ ATOM 224 CB LYS A 31 83.432 18.223 24.319 1.00 31.93 C
225
+ ATOM 225 CG LYS A 31 82.250 18.973 24.903 1.00 37.09 C
226
+ ATOM 226 CD LYS A 31 82.673 20.334 25.435 1.00 81.11 C
227
+ ATOM 227 CE LYS A 31 81.535 21.006 26.187 1.00 73.48 C
228
+ ATOM 228 NZ LYS A 31 81.899 22.379 26.625 1.00 99.00 N
229
+ ATOM 229 N ASP A 32 80.883 16.209 23.370 1.00 28.11 N
230
+ ATOM 230 CA ASP A 32 79.727 16.181 22.472 1.00 28.47 C
231
+ ATOM 231 C ASP A 32 79.461 17.578 21.915 1.00 28.77 C
232
+ ATOM 232 O ASP A 32 79.880 18.584 22.503 1.00 30.13 O
233
+ ATOM 233 CB ASP A 32 78.460 15.713 23.206 1.00 30.35 C
234
+ ATOM 234 CG ASP A 32 78.501 14.245 23.607 1.00 31.30 C
235
+ ATOM 235 OD1 ASP A 32 79.115 13.425 22.895 1.00 26.41 O
236
+ ATOM 236 OD2 ASP A 32 77.906 13.913 24.655 1.00 33.94 O
237
+ ATOM 237 N CYS A 33 78.762 17.634 20.782 1.00 25.55 N
238
+ ATOM 238 CA CYS A 33 78.253 18.897 20.248 1.00 28.71 C
239
+ ATOM 239 C CYS A 33 77.155 19.437 21.173 1.00 27.51 C
240
+ ATOM 240 O CYS A 33 76.583 18.677 21.971 1.00 29.65 O
241
+ ATOM 241 CB CYS A 33 77.700 18.689 18.829 1.00 28.29 C
242
+ ATOM 242 SG CYS A 33 76.038 17.976 18.679 1.00 29.71 S
243
+ ATOM 243 N ASP A 34 76.856 20.734 21.073 1.00 27.68 N
244
+ ATOM 244 CA ASP A 34 75.746 21.289 21.860 1.00 33.82 C
245
+ ATOM 245 C ASP A 34 74.619 21.879 21.000 1.00 35.09 C
246
+ ATOM 246 O ASP A 34 73.701 22.511 21.515 1.00 32.90 O
247
+ ATOM 247 CB ASP A 34 76.258 22.309 22.890 1.00 40.87 C
248
+ ATOM 248 CG ASP A 34 76.708 23.621 22.256 1.00 47.52 C
249
+ ATOM 249 OD1 ASP A 34 76.666 24.656 22.957 1.00 99.00 O
250
+ ATOM 250 OD2 ASP A 34 77.101 23.629 21.071 1.00 46.70 O
251
+ ATOM 251 N GLN A 35 74.696 21.668 19.689 1.00 30.16 N
252
+ ATOM 252 CA GLN A 35 73.627 22.070 18.777 1.00 29.41 C
253
+ ATOM 253 C GLN A 35 73.371 20.936 17.791 1.00 26.32 C
254
+ ATOM 254 O GLN A 35 74.309 20.270 17.373 1.00 27.54 O
255
+ ATOM 255 CB GLN A 35 73.997 23.359 18.036 1.00 32.66 C
256
+ ATOM 256 CG GLN A 35 73.903 24.618 18.891 1.00 43.96 C
257
+ ATOM 257 CD GLN A 35 73.760 25.887 18.066 1.00 99.00 C
258
+ ATOM 258 OE1 GLN A 35 74.121 25.926 16.887 1.00 80.11 O
259
+ ATOM 259 NE2 GLN A 35 73.229 26.934 18.686 1.00 99.00 N
260
+ ATOM 260 N HIS A 36 72.104 20.728 17.431 1.00 27.06 N
261
+ ATOM 261 CA HIS A 36 71.696 19.569 16.635 1.00 23.25 C
262
+ ATOM 262 C HIS A 36 72.430 19.621 15.286 1.00 24.56 C
263
+ ATOM 263 O HIS A 36 72.449 20.664 14.633 1.00 26.82 O
264
+ ATOM 264 CB HIS A 36 70.175 19.610 16.438 1.00 25.05 C
265
+ ATOM 265 CG HIS A 36 69.598 18.411 15.746 1.00 26.40 C
266
+ ATOM 266 ND1 HIS A 36 69.762 17.122 16.207 1.00 29.42 N
267
+ ATOM 267 CD2 HIS A 36 68.849 18.315 14.620 1.00 23.57 C
268
+ ATOM 268 CE1 HIS A 36 69.142 16.282 15.395 1.00 31.82 C
269
+ ATOM 269 NE2 HIS A 36 68.579 16.980 14.423 1.00 27.63 N
270
+ ATOM 270 N ARG A 37 73.018 18.484 14.911 1.00 25.49 N
271
+ ATOM 271 CA ARG A 37 73.765 18.258 13.648 1.00 29.45 C
272
+ ATOM 272 C ARG A 37 75.177 18.842 13.572 1.00 34.86 C
273
+ ATOM 273 O ARG A 37 75.850 18.711 12.542 1.00 33.72 O
274
+ ATOM 274 CB ARG A 37 72.937 18.657 12.426 1.00 30.28 C
275
+ ATOM 275 CG ARG A 37 71.739 17.763 12.192 1.00 27.81 C
276
+ ATOM 276 CD ARG A 37 70.870 18.336 11.088 1.00 25.71 C
277
+ ATOM 277 NE ARG A 37 69.719 17.488 10.803 1.00 26.28 N
278
+ ATOM 278 CZ ARG A 37 68.958 17.608 9.719 1.00 45.95 C
279
+ ATOM 279 NH1 ARG A 37 69.229 18.543 8.819 1.00 39.28 N
280
+ ATOM 280 NH2 ARG A 37 67.927 16.795 9.534 1.00 31.52 N
281
+ ATOM 281 N LYS A 38 75.624 19.481 14.652 1.00 31.63 N
282
+ ATOM 282 CA LYS A 38 76.980 20.016 14.720 1.00 31.54 C
283
+ ATOM 283 C LYS A 38 77.995 18.941 15.110 1.00 35.86 C
284
+ ATOM 284 O LYS A 38 77.622 17.825 15.500 1.00 30.85 O
285
+ ATOM 285 CB LYS A 38 77.042 21.212 15.676 1.00 33.87 C
286
+ ATOM 286 CG LYS A 38 76.680 22.558 15.048 1.00 44.43 C
287
+ ATOM 287 CD LYS A 38 75.205 22.680 14.669 1.00 99.00 C
288
+ ATOM 288 CE LYS A 38 74.859 24.086 14.190 1.00 99.00 C
289
+ ATOM 289 NZ LYS A 38 75.496 24.428 12.886 1.00 64.62 N
290
+ ATOM 290 N ALA A 39 79.278 19.289 15.001 1.00 30.53 N
291
+ ATOM 291 CA ALA A 39 80.371 18.351 15.258 1.00 32.28 C
292
+ ATOM 292 C ALA A 39 80.753 18.220 16.739 1.00 28.59 C
293
+ ATOM 293 O ALA A 39 80.841 19.208 17.478 1.00 29.69 O
294
+ ATOM 294 CB ALA A 39 81.594 18.742 14.437 1.00 35.48 C
295
+ ATOM 295 N ALA A 40 80.979 16.985 17.166 1.00 25.42 N
296
+ ATOM 296 CA ALA A 40 81.643 16.738 18.433 1.00 28.66 C
297
+ ATOM 297 C ALA A 40 83.069 17.304 18.367 1.00 32.68 C
298
+ ATOM 298 O ALA A 40 83.643 17.462 17.280 1.00 34.03 O
299
+ ATOM 299 CB ALA A 40 81.667 15.242 18.742 1.00 27.68 C
300
+ ATOM 300 N GLN A 41 83.632 17.607 19.527 1.00 27.30 N
301
+ ATOM 301 CA GLN A 41 85.031 17.990 19.611 1.00 32.07 C
302
+ ATOM 302 C GLN A 41 85.857 16.714 19.691 1.00 35.12 C
303
+ ATOM 303 O GLN A 41 85.634 15.866 20.566 1.00 33.97 O
304
+ ATOM 304 CB GLN A 41 85.303 18.882 20.825 1.00 33.47 C
305
+ ATOM 305 CG GLN A 41 86.726 19.459 20.823 1.00 42.66 C
306
+ ATOM 306 CD GLN A 41 87.218 19.876 22.198 1.00 68.21 C
307
+ ATOM 307 OE1 GLN A 41 86.445 20.320 23.048 1.00 62.47 O
308
+ ATOM 308 NE2 GLN A 41 88.519 19.734 22.421 1.00 58.15 N
309
+ ATOM 309 N CYS A 42 86.810 16.581 18.775 1.00 31.19 N
310
+ ATOM 310 CA CYS A 42 87.671 15.407 18.750 1.00 32.80 C
311
+ ATOM 311 C CYS A 42 89.141 15.819 18.655 1.00 38.21 C
312
+ ATOM 312 O CYS A 42 89.488 16.737 17.907 1.00 39.82 O
313
+ ATOM 313 CB CYS A 42 87.282 14.485 17.593 1.00 29.77 C
314
+ ATOM 314 SG CYS A 42 85.480 14.326 17.331 1.00 39.70 S
315
+ ATOM 315 N ASP A 43 89.988 15.133 19.417 1.00 33.36 N
316
+ ATOM 316 CA ASP A 43 91.434 15.402 19.452 1.00 33.96 C
317
+ ATOM 317 C ASP A 43 92.202 14.209 18.880 1.00 34.43 C
318
+ ATOM 318 O ASP A 43 91.728 13.078 18.968 1.00 36.56 O
319
+ ATOM 319 CB ASP A 43 91.904 15.683 20.886 1.00 37.62 C
320
+ ATOM 320 CG ASP A 43 91.547 17.089 21.370 1.00 41.29 C
321
+ ATOM 321 OD1 ASP A 43 91.080 17.927 20.573 1.00 46.25 O
322
+ ATOM 322 OD2 ASP A 43 91.738 17.357 22.569 1.00 43.51 O
323
+ ATOM 323 N PRO A 44 93.391 14.459 18.291 1.00 40.58 N
324
+ ATOM 324 CA PRO A 44 94.173 13.392 17.651 1.00 37.88 C
325
+ ATOM 325 C PRO A 44 94.713 12.306 18.581 1.00 39.11 C
326
+ ATOM 326 O PRO A 44 95.033 12.573 19.741 1.00 34.34 O
327
+ ATOM 327 CB PRO A 44 95.337 14.154 16.999 1.00 41.95 C
328
+ ATOM 328 CG PRO A 44 95.457 15.414 17.770 1.00 42.80 C
329
+ ATOM 329 CD PRO A 44 94.064 15.770 18.183 1.00 38.93 C
330
+ ATOM 330 N CYS A 45 94.808 11.085 18.053 1.00 38.30 N
331
+ ATOM 331 CA CYS A 45 95.538 10.000 18.704 1.00 39.67 C
332
+ ATOM 332 C CYS A 45 97.047 10.294 18.591 1.00 41.68 C
333
+ ATOM 333 O CYS A 45 97.446 11.220 17.878 1.00 41.97 O
334
+ ATOM 334 CB CYS A 45 95.193 8.654 18.048 1.00 37.72 C
335
+ ATOM 335 SG CYS A 45 93.427 8.161 18.094 1.00 37.60 S
336
+ ATOM 336 N ILE A 46 97.877 9.518 19.284 1.00 46.10 N
337
+ ATOM 337 CA ILE A 46 99.330 9.764 19.292 1.00 50.58 C
338
+ ATOM 338 C ILE A 46 100.062 8.864 18.281 1.00 50.71 C
339
+ ATOM 339 O ILE A 46 100.030 7.638 18.412 1.00 48.48 O
340
+ ATOM 340 CB ILE A 46 99.935 9.614 20.716 1.00 52.41 C
341
+ ATOM 341 CG1 ILE A 46 99.133 10.438 21.730 1.00 59.74 C
342
+ ATOM 342 CG2 ILE A 46 101.400 10.066 20.733 1.00 51.83 C
343
+ ATOM 343 CD1 ILE A 46 99.025 9.801 23.102 1.00 58.17 C
344
+ ATOM 344 N PRO A 47 100.721 9.476 17.270 1.00 53.94 N
345
+ ATOM 345 CA PRO A 47 101.406 8.726 16.210 1.00 54.56 C
346
+ ATOM 346 C PRO A 47 102.403 7.703 16.754 1.00 56.63 C
347
+ ATOM 347 O PRO A 47 103.340 8.064 17.471 1.00 56.20 O
348
+ ATOM 348 CB PRO A 47 102.127 9.821 15.416 1.00 57.62 C
349
+ ATOM 349 CG PRO A 47 101.311 11.041 15.647 1.00 58.21 C
350
+ ATOM 350 CD PRO A 47 100.853 10.932 17.070 1.00 54.68 C
351
+ ATOM 351 N GLY A 48 102.188 6.436 16.407 1.00 57.02 N
352
+ ATOM 352 CA GLY A 48 103.033 5.340 16.876 1.00 55.68 C
353
+ ATOM 353 C GLY A 48 102.646 4.780 18.233 1.00 53.12 C
354
+ ATOM 354 O GLY A 48 103.136 3.721 18.628 1.00 50.45 O
355
+ ATOM 355 N VAL A 49 101.770 5.483 18.950 1.00 50.00 N
356
+ ATOM 356 CA VAL A 49 101.380 5.079 20.310 1.00 47.25 C
357
+ ATOM 357 C VAL A 49 99.921 4.629 20.401 1.00 43.88 C
358
+ ATOM 358 O VAL A 49 99.615 3.600 21.021 1.00 43.64 O
359
+ ATOM 359 CB VAL A 49 101.629 6.218 21.342 1.00 56.11 C
360
+ ATOM 360 CG1 VAL A 49 101.242 5.770 22.758 1.00 44.67 C
361
+ ATOM 361 CG2 VAL A 49 103.085 6.691 21.297 1.00 61.23 C
362
+ ATOM 362 N SER A 50 99.022 5.399 19.783 1.00 41.08 N
363
+ ATOM 363 CA SER A 50 97.591 5.090 19.826 1.00 40.94 C
364
+ ATOM 364 C SER A 50 96.894 5.352 18.493 1.00 34.91 C
365
+ ATOM 365 O SER A 50 97.407 6.097 17.633 1.00 37.22 O
366
+ ATOM 366 CB SER A 50 96.893 5.853 20.965 1.00 44.49 C
367
+ ATOM 367 OG SER A 50 96.770 7.229 20.657 1.00 37.54 O
368
+ ATOM 368 N PHE A 51 95.723 4.738 18.323 1.00 34.49 N
369
+ ATOM 369 CA PHE A 51 95.005 4.823 17.055 1.00 32.58 C
370
+ ATOM 370 C PHE A 51 93.478 4.702 17.181 1.00 31.22 C
371
+ ATOM 371 O PHE A 51 92.951 4.250 18.206 1.00 32.25 O
372
+ ATOM 372 CB PHE A 51 95.532 3.742 16.103 1.00 29.34 C
373
+ ATOM 373 CG PHE A 51 94.995 2.367 16.387 1.00 26.57 C
374
+ ATOM 374 CD1 PHE A 51 95.479 1.612 17.459 1.00 31.48 C
375
+ ATOM 375 CD2 PHE A 51 94.000 1.819 15.581 1.00 33.73 C
376
+ ATOM 376 CE1 PHE A 51 94.978 0.338 17.718 1.00 34.51 C
377
+ ATOM 377 CE2 PHE A 51 93.493 0.550 15.831 1.00 35.31 C
378
+ ATOM 378 CZ PHE A 51 93.983 -0.197 16.905 1.00 45.17 C
379
+ ATOM 379 N SER A 52 92.786 5.113 16.120 1.00 31.31 N
380
+ ATOM 380 CA SER A 52 91.344 4.921 15.968 1.00 29.09 C
381
+ ATOM 381 C SER A 52 91.044 4.739 14.474 1.00 30.47 C
382
+ ATOM 382 O SER A 52 91.207 5.680 13.692 1.00 28.34 O
383
+ ATOM 383 CB SER A 52 90.542 6.081 16.575 1.00 36.79 C
384
+ ATOM 384 OG SER A 52 90.650 7.260 15.807 1.00 49.56 O
385
+ ATOM 385 N PRO A 53 90.607 3.528 14.086 1.00 31.67 N
386
+ ATOM 386 CA PRO A 53 90.508 3.116 12.675 1.00 32.52 C
387
+ ATOM 387 C PRO A 53 89.225 3.517 11.937 1.00 37.12 C
388
+ ATOM 388 O PRO A 53 89.097 3.249 10.735 1.00 39.24 O
389
+ ATOM 389 CB PRO A 53 90.597 1.593 12.763 1.00 34.08 C
390
+ ATOM 390 CG PRO A 53 90.011 1.252 14.120 1.00 31.57 C
391
+ ATOM 391 CD PRO A 53 90.181 2.456 15.009 1.00 33.87 C
392
+ ATOM 392 N ASP A 54 88.287 4.147 12.635 1.00 28.34 N
393
+ ATOM 393 CA ASP A 54 86.958 4.394 12.078 1.00 36.92 C
394
+ ATOM 394 C ASP A 54 86.314 5.672 12.620 1.00 32.65 C
395
+ ATOM 395 O ASP A 54 86.836 6.292 13.553 1.00 34.12 O
396
+ ATOM 396 CB ASP A 54 86.038 3.186 12.328 1.00 41.56 C
397
+ ATOM 397 CG ASP A 54 85.949 2.786 13.808 1.00 54.19 C
398
+ ATOM 398 OD1 ASP A 54 86.548 3.454 14.682 1.00 58.91 O
399
+ ATOM 399 OD2 ASP A 54 85.263 1.782 14.094 1.00 92.87 O
400
+ ATOM 400 N HIS A 55 85.182 6.052 12.024 1.00 33.03 N
401
+ ATOM 401 CA HIS A 55 84.302 7.077 12.591 1.00 29.65 C
402
+ ATOM 402 C HIS A 55 83.627 6.482 13.825 1.00 29.67 C
403
+ ATOM 403 O HIS A 55 83.164 5.338 13.797 1.00 34.31 O
404
+ ATOM 404 CB HIS A 55 83.260 7.541 11.566 1.00 31.13 C
405
+ ATOM 405 CG HIS A 55 83.848 8.289 10.407 1.00 38.62 C
406
+ ATOM 406 ND1 HIS A 55 84.350 7.656 9.289 1.00 32.52 N
407
+ ATOM 407 CD2 HIS A 55 84.013 9.616 10.194 1.00 35.76 C
408
+ ATOM 408 CE1 HIS A 55 84.799 8.564 8.439 1.00 33.04 C
409
+ ATOM 409 NE2 HIS A 55 84.606 9.761 8.964 1.00 40.48 N
410
+ ATOM 410 N HIS A 56 83.569 7.254 14.912 1.00 31.41 N
411
+ ATOM 411 CA HIS A 56 83.276 6.665 16.216 1.00 30.45 C
412
+ ATOM 412 C HIS A 56 82.959 7.703 17.293 1.00 32.74 C
413
+ ATOM 413 O HIS A 56 83.036 8.924 17.069 1.00 30.75 O
414
+ ATOM 414 CB HIS A 56 84.505 5.896 16.691 1.00 32.64 C
415
+ ATOM 415 CG HIS A 56 85.599 6.802 17.150 1.00 40.87 C
416
+ ATOM 416 ND1 HIS A 56 86.476 7.406 16.278 1.00 35.05 N
417
+ ATOM 417 CD2 HIS A 56 85.956 7.211 18.389 1.00 30.38 C
418
+ ATOM 418 CE1 HIS A 56 87.330 8.148 16.961 1.00 45.17 C
419
+ ATOM 419 NE2 HIS A 56 87.036 8.047 18.244 1.00 54.49 N
420
+ ATOM 420 N THR A 57 82.604 7.193 18.470 1.00 26.90 N
421
+ ATOM 421 CA THR A 57 82.300 8.051 19.618 1.00 35.67 C
422
+ ATOM 422 C THR A 57 83.099 7.681 20.877 1.00 40.90 C
423
+ ATOM 423 O THR A 57 82.713 8.047 21.985 1.00 37.23 O
424
+ ATOM 424 CB THR A 57 80.790 8.026 19.951 1.00 37.13 C
425
+ ATOM 425 OG1 THR A 57 80.389 6.689 20.293 1.00 36.23 O
426
+ ATOM 426 CG2 THR A 57 79.972 8.505 18.765 1.00 35.35 C
427
+ ATOM 427 N ARG A 58 84.207 6.961 20.713 1.00 35.25 N
428
+ ATOM 428 CA ARG A 58 85.021 6.548 21.866 1.00 36.00 C
429
+ ATOM 429 C ARG A 58 85.765 7.721 22.501 1.00 34.65 C
430
+ ATOM 430 O ARG A 58 86.348 8.559 21.788 1.00 29.79 O
431
+ ATOM 431 CB ARG A 58 86.008 5.441 21.481 1.00 40.62 C
432
+ ATOM 432 CG ARG A 58 85.342 4.165 20.970 1.00 36.56 C
433
+ ATOM 433 CD ARG A 58 86.385 3.146 20.500 1.00 72.94 C
434
+ ATOM 434 NE ARG A 58 87.241 3.662 19.427 1.00 67.38 N
435
+ ATOM 435 CZ ARG A 58 87.074 3.412 18.129 1.00 50.93 C
436
+ ATOM 436 NH1 ARG A 58 86.076 2.645 17.707 1.00 52.98 N
437
+ ATOM 437 NH2 ARG A 58 87.912 3.933 17.245 1.00 64.40 N
438
+ ATOM 438 N PRO A 59 85.750 7.792 23.848 1.00 36.34 N
439
+ ATOM 439 CA PRO A 59 86.454 8.868 24.540 1.00 37.40 C
440
+ ATOM 440 C PRO A 59 87.959 8.615 24.671 1.00 35.08 C
441
+ ATOM 441 O PRO A 59 88.678 9.455 25.208 1.00 34.22 O
442
+ ATOM 442 CB PRO A 59 85.765 8.907 25.915 1.00 41.08 C
443
+ ATOM 443 CG PRO A 59 85.326 7.505 26.151 1.00 39.24 C
444
+ ATOM 444 CD PRO A 59 85.070 6.879 24.793 1.00 39.95 C
445
+ ATOM 445 N HIS A 60 88.427 7.463 24.181 1.00 36.88 N
446
+ ATOM 446 CA HIS A 60 89.857 7.151 24.166 1.00 36.52 C
447
+ ATOM 447 C HIS A 60 90.257 6.530 22.824 1.00 34.30 C
448
+ ATOM 448 O HIS A 60 89.434 5.921 22.150 1.00 35.67 O
449
+ ATOM 449 CB HIS A 60 90.213 6.187 25.311 1.00 34.89 C
450
+ ATOM 450 CG HIS A 60 89.812 6.686 26.664 1.00 50.85 C
451
+ ATOM 451 ND1 HIS A 60 90.420 7.765 27.270 1.00 45.69 N
452
+ ATOM 452 CD2 HIS A 60 88.863 6.255 27.528 1.00 35.17 C
453
+ ATOM 453 CE1 HIS A 60 89.864 7.976 28.449 1.00 35.49 C
454
+ ATOM 454 NE2 HIS A 60 88.916 7.074 28.630 1.00 40.84 N
455
+ ATOM 455 N CYS A 61 91.518 6.688 22.445 1.00 34.68 N
456
+ ATOM 456 CA CYS A 61 92.042 5.958 21.295 1.00 37.29 C
457
+ ATOM 457 C CYS A 61 92.347 4.527 21.730 1.00 40.14 C
458
+ ATOM 458 O CYS A 61 92.452 4.240 22.928 1.00 40.41 O
459
+ ATOM 459 CB CYS A 61 93.285 6.638 20.743 1.00 35.50 C
460
+ ATOM 460 SG CYS A 61 92.955 8.281 20.075 1.00 43.21 S
461
+ ATOM 461 N GLU A 62 92.488 3.632 20.760 1.00 40.92 N
462
+ ATOM 462 CA GLU A 62 92.900 2.263 21.049 1.00 40.77 C
463
+ ATOM 463 C GLU A 62 94.416 2.238 21.172 1.00 40.52 C
464
+ ATOM 464 O GLU A 62 95.110 2.973 20.474 1.00 43.56 O
465
+ ATOM 465 CB GLU A 62 92.421 1.317 19.945 1.00 39.03 C
466
+ ATOM 466 CG GLU A 62 90.906 1.224 19.827 1.00 44.73 C
467
+ ATOM 467 CD GLU A 62 90.452 0.320 18.692 1.00 99.00 C
468
+ ATOM 468 OE1 GLU A 62 90.962 -0.817 18.581 1.00 81.82 O
469
+ ATOM 469 OE2 GLU A 62 89.582 0.751 17.909 1.00 52.71 O
470
+ ATOM 470 N SER A 63 94.936 1.394 22.059 1.00 43.52 N
471
+ ATOM 471 CA SER A 63 96.383 1.298 22.230 1.00 46.18 C
472
+ ATOM 472 C SER A 63 97.005 0.395 21.161 1.00 43.30 C
473
+ ATOM 473 O SER A 63 96.514 -0.706 20.914 1.00 45.01 O
474
+ ATOM 474 CB SER A 63 96.728 0.814 23.640 1.00 53.56 C
475
+ ATOM 475 OG SER A 63 95.829 -0.193 24.086 1.00 58.80 O
476
+ ATOM 476 N CYS A 64 98.080 0.871 20.538 1.00 46.08 N
477
+ ATOM 477 CA CYS A 64 98.797 0.100 19.525 1.00 50.25 C
478
+ ATOM 478 C CYS A 64 99.340 -1.189 20.133 1.00 52.52 C
479
+ ATOM 479 O CYS A 64 100.007 -1.153 21.169 1.00 54.50 O
480
+ ATOM 480 CB CYS A 64 99.932 0.926 18.928 1.00 51.83 C
481
+ ATOM 481 SG CYS A 64 99.378 2.415 18.068 1.00 51.90 S
482
+ ATOM 482 N ARG A 65 99.052 -2.318 19.485 1.00 55.07 N
483
+ ATOM 483 CA ARG A 65 99.370 -3.642 20.039 1.00 56.22 C
484
+ ATOM 484 C ARG A 65 100.870 -3.867 20.254 1.00 55.87 C
485
+ ATOM 485 O ARG A 65 101.701 -3.293 19.544 1.00 53.52 O
486
+ ATOM 486 CB ARG A 65 98.762 -4.769 19.185 1.00 55.79 C
487
+ ATOM 487 CG ARG A 65 99.383 -4.958 17.798 1.00 48.04 C
488
+ ATOM 488 CD ARG A 65 99.088 -6.349 17.226 1.00 39.09 C
489
+ ATOM 489 NE ARG A 65 97.653 -6.632 17.151 1.00 47.96 N
490
+ ATOM 490 CZ ARG A 65 96.890 -6.427 16.080 1.00 68.22 C
491
+ ATOM 491 NH1 ARG A 65 97.409 -5.930 14.962 1.00 41.68 N
492
+ ATOM 492 NH2 ARG A 65 95.595 -6.720 16.127 1.00 44.44 N
493
+ ATOM 493 N HIS A 66 101.193 -4.706 21.239 1.00 61.98 N
494
+ ATOM 494 CA HIS A 66 102.573 -5.075 21.551 1.00 64.52 C
495
+ ATOM 495 C HIS A 66 103.002 -6.305 20.752 1.00 64.64 C
496
+ ATOM 496 O HIS A 66 102.347 -7.349 20.820 1.00 65.49 O
497
+ ATOM 497 CB HIS A 66 102.726 -5.384 23.046 1.00 64.61 C
498
+ ATOM 498 CG HIS A 66 102.514 -4.205 23.944 1.00 68.70 C
499
+ ATOM 499 ND1 HIS A 66 101.424 -4.093 24.780 1.00 77.80 N
500
+ ATOM 500 CD2 HIS A 66 103.252 -3.086 24.136 1.00 99.00 C
501
+ ATOM 501 CE1 HIS A 66 101.500 -2.956 25.449 1.00 95.79 C
502
+ ATOM 502 NE2 HIS A 66 102.600 -2.326 25.076 1.00 83.64 N
503
+ ATOM 503 N CYS A 67 104.094 -6.182 20.001 1.00 66.01 N
504
+ ATOM 504 CA CYS A 67 104.701 -7.340 19.345 1.00 71.16 C
505
+ ATOM 505 C CYS A 67 105.662 -7.998 20.337 1.00 74.30 C
506
+ ATOM 506 O CYS A 67 106.773 -7.505 20.563 1.00 74.69 O
507
+ ATOM 507 CB CYS A 67 105.431 -6.938 18.057 1.00 71.50 C
508
+ ATOM 508 SG CYS A 67 104.422 -6.099 16.793 1.00 59.72 S
509
+ ATOM 509 N ASN A 68 105.226 -9.111 20.924 1.00 74.87 N
510
+ ATOM 510 CA ASN A 68 105.984 -9.771 21.990 1.00 75.14 C
511
+ ATOM 511 C ASN A 68 107.116 -10.652 21.461 1.00 72.70 C
512
+ ATOM 512 O ASN A 68 108.279 -10.237 21.455 1.00 70.35 O
513
+ ATOM 513 CB ASN A 68 105.046 -10.555 22.920 1.00 74.36 C
514
+ ATOM 514 CG ASN A 68 104.041 -9.659 23.630 1.00 84.83 C
515
+ ATOM 515 OD1 ASN A 68 104.353 -8.526 24.003 1.00 87.82 O
516
+ ATOM 516 ND2 ASN A 68 102.827 -10.167 23.820 1.00 66.23 N
517
+ ATOM 517 N SER A 69 106.772 -11.861 21.022 1.00 72.21 N
518
+ ATOM 518 CA SER A 69 107.747 -12.787 20.449 1.00 70.25 C
519
+ ATOM 519 C SER A 69 108.039 -12.473 18.978 1.00 70.05 C
520
+ ATOM 520 O SER A 69 109.045 -12.932 18.430 1.00 70.65 O
521
+ ATOM 521 CB SER A 69 107.269 -14.232 20.598 1.00 69.97 C
522
+ ATOM 522 OG SER A 69 107.035 -14.555 21.956 1.00 64.40 O
523
+ ATOM 523 N GLY A 70 107.158 -11.691 18.351 1.00 65.27 N
524
+ ATOM 524 CA GLY A 70 107.328 -11.277 16.957 1.00 63.48 C
525
+ ATOM 525 C GLY A 70 108.068 -9.961 16.780 1.00 63.19 C
526
+ ATOM 526 O GLY A 70 108.487 -9.337 17.758 1.00 66.13 O
527
+ ATOM 527 N LEU A 71 108.227 -9.543 15.526 1.00 58.57 N
528
+ ATOM 528 CA LEU A 71 108.875 -8.272 15.191 1.00 59.58 C
529
+ ATOM 529 C LEU A 71 107.891 -7.269 14.587 1.00 57.20 C
530
+ ATOM 530 O LEU A 71 107.037 -7.638 13.775 1.00 51.32 O
531
+ ATOM 531 CB LEU A 71 110.025 -8.489 14.203 1.00 54.92 C
532
+ ATOM 532 CG LEU A 71 111.293 -9.235 14.626 1.00 68.43 C
533
+ ATOM 533 CD1 LEU A 71 112.071 -9.634 13.385 1.00 49.80 C
534
+ ATOM 534 CD2 LEU A 71 112.163 -8.408 15.577 1.00 76.41 C
535
+ ATOM 535 N LEU A 72 108.023 -6.005 14.991 1.00 55.98 N
536
+ ATOM 536 CA LEU A 72 107.233 -4.909 14.429 1.00 57.83 C
537
+ ATOM 537 C LEU A 72 107.460 -4.782 12.923 1.00 57.11 C
538
+ ATOM 538 O LEU A 72 108.461 -4.215 12.481 1.00 61.30 O
539
+ ATOM 539 CB LEU A 72 107.565 -3.583 15.131 1.00 61.17 C
540
+ ATOM 540 CG LEU A 72 106.935 -3.282 16.495 1.00 61.61 C
541
+ ATOM 541 CD1 LEU A 72 107.847 -2.393 17.330 1.00 99.00 C
542
+ ATOM 542 CD2 LEU A 72 105.557 -2.643 16.336 1.00 99.00 C
543
+ ATOM 543 N VAL A 73 106.515 -5.317 12.155 1.00 53.36 N
544
+ ATOM 544 CA VAL A 73 106.564 -5.344 10.690 1.00 53.18 C
545
+ ATOM 545 C VAL A 73 105.980 -4.075 10.046 1.00 54.29 C
546
+ ATOM 546 O VAL A 73 106.485 -3.590 9.025 1.00 52.23 O
547
+ ATOM 547 CB VAL A 73 105.867 -6.630 10.159 1.00 50.64 C
548
+ ATOM 548 CG1 VAL A 73 105.141 -6.405 8.825 1.00 68.84 C
549
+ ATOM 549 CG2 VAL A 73 106.878 -7.763 10.053 1.00 68.58 C
550
+ ATOM 550 N ARG A 74 104.917 -3.546 10.649 1.00 53.60 N
551
+ ATOM 551 CA ARG A 74 104.293 -2.307 10.193 1.00 49.21 C
552
+ ATOM 552 C ARG A 74 104.075 -1.402 11.396 1.00 46.24 C
553
+ ATOM 553 O ARG A 74 103.469 -1.822 12.388 1.00 40.96 O
554
+ ATOM 554 CB ARG A 74 102.962 -2.594 9.483 1.00 51.75 C
555
+ ATOM 555 CG ARG A 74 102.272 -1.369 8.890 1.00 50.46 C
556
+ ATOM 556 CD ARG A 74 100.932 -1.721 8.250 1.00 65.38 C
557
+ ATOM 557 NE ARG A 74 99.824 -1.684 9.208 1.00 59.48 N
558
+ ATOM 558 CZ ARG A 74 98.573 -2.058 8.939 1.00 99.00 C
559
+ ATOM 559 NH1 ARG A 74 98.244 -2.505 7.730 1.00 70.88 N
560
+ ATOM 560 NH2 ARG A 74 97.642 -1.984 9.886 1.00 42.91 N
561
+ ATOM 561 N ASN A 75 104.570 -0.166 11.299 1.00 43.60 N
562
+ ATOM 562 CA ASN A 75 104.368 0.834 12.342 1.00 46.89 C
563
+ ATOM 563 C ASN A 75 102.888 1.161 12.501 1.00 43.47 C
564
+ ATOM 564 O ASN A 75 102.151 1.263 11.515 1.00 43.12 O
565
+ ATOM 565 CB ASN A 75 105.134 2.132 12.033 1.00 45.48 C
566
+ ATOM 566 CG ASN A 75 106.574 2.112 12.535 1.00 56.99 C
567
+ ATOM 567 OD1 ASN A 75 107.072 1.089 13.005 1.00 52.10 O
568
+ ATOM 568 ND2 ASN A 75 107.248 3.257 12.434 1.00 99.00 N
569
+ ATOM 569 N CYS A 76 102.471 1.320 13.749 1.00 41.65 N
570
+ ATOM 570 CA CYS A 76 101.155 1.858 14.066 1.00 42.47 C
571
+ ATOM 571 C CYS A 76 101.060 3.299 13.552 1.00 43.42 C
572
+ ATOM 572 O CYS A 76 101.992 4.087 13.741 1.00 45.33 O
573
+ ATOM 573 CB CYS A 76 100.956 1.830 15.577 1.00 40.95 C
574
+ ATOM 574 SG CYS A 76 99.241 1.845 16.125 1.00 47.16 S
575
+ ATOM 575 N THR A 77 99.940 3.634 12.907 1.00 41.23 N
576
+ ATOM 576 CA THR A 77 99.599 5.021 12.562 1.00 39.09 C
577
+ ATOM 577 C THR A 77 98.349 5.401 13.361 1.00 38.46 C
578
+ ATOM 578 O THR A 77 97.718 4.537 13.961 1.00 36.74 O
579
+ ATOM 579 CB THR A 77 99.322 5.213 11.049 1.00 43.96 C
580
+ ATOM 580 OG1 THR A 77 98.232 4.375 10.647 1.00 41.70 O
581
+ ATOM 581 CG2 THR A 77 100.560 4.884 10.208 1.00 51.24 C
582
+ ATOM 582 N ILE A 78 97.982 6.678 13.380 1.00 38.94 N
583
+ ATOM 583 CA ILE A 78 96.796 7.083 14.158 1.00 38.89 C
584
+ ATOM 584 C ILE A 78 95.477 6.451 13.668 1.00 37.50 C
585
+ ATOM 585 O ILE A 78 94.461 6.516 14.364 1.00 35.12 O
586
+ ATOM 586 CB ILE A 78 96.661 8.630 14.299 1.00 41.25 C
587
+ ATOM 587 CG1 ILE A 78 96.676 9.326 12.931 1.00 44.24 C
588
+ ATOM 588 CG2 ILE A 78 97.747 9.170 15.232 1.00 45.24 C
589
+ ATOM 589 CD1 ILE A 78 96.257 10.796 12.972 1.00 43.41 C
590
+ ATOM 590 N THR A 79 95.493 5.841 12.478 1.00 35.02 N
591
+ ATOM 591 CA THR A 79 94.293 5.205 11.918 1.00 31.33 C
592
+ ATOM 592 C THR A 79 94.415 3.679 11.739 1.00 32.89 C
593
+ ATOM 593 O THR A 79 93.470 3.036 11.272 1.00 34.64 O
594
+ ATOM 594 CB THR A 79 93.887 5.834 10.559 1.00 37.92 C
595
+ ATOM 595 OG1 THR A 79 94.960 5.679 9.616 1.00 36.11 O
596
+ ATOM 596 CG2 THR A 79 93.562 7.326 10.713 1.00 38.35 C
597
+ ATOM 597 N ALA A 80 95.564 3.106 12.106 1.00 31.48 N
598
+ ATOM 598 CA ALA A 80 95.812 1.669 11.894 1.00 32.98 C
599
+ ATOM 599 C ALA A 80 96.816 1.062 12.872 1.00 33.78 C
600
+ ATOM 600 O ALA A 80 97.917 1.604 13.081 1.00 40.05 O
601
+ ATOM 601 CB ALA A 80 96.241 1.395 10.441 1.00 33.80 C
602
+ ATOM 602 N ASN A 81 96.415 -0.066 13.459 1.00 32.97 N
603
+ ATOM 603 CA ASN A 81 97.206 -0.803 14.439 1.00 32.77 C
604
+ ATOM 604 C ASN A 81 98.557 -1.245 13.876 1.00 39.29 C
605
+ ATOM 605 O ASN A 81 98.752 -1.293 12.653 1.00 37.18 O
606
+ ATOM 606 CB ASN A 81 96.415 -2.027 14.933 1.00 34.82 C
607
+ ATOM 607 CG ASN A 81 96.738 -2.412 16.388 1.00 35.90 C
608
+ ATOM 608 OD1 ASN A 81 97.714 -1.946 16.976 1.00 42.69 O
609
+ ATOM 609 ND2 ASN A 81 95.906 -3.273 16.961 1.00 38.15 N
610
+ ATOM 610 N ALA A 82 99.476 -1.562 14.784 1.00 41.89 N
611
+ ATOM 611 CA ALA A 82 100.760 -2.152 14.438 1.00 41.93 C
612
+ ATOM 612 C ALA A 82 100.553 -3.579 13.943 1.00 38.81 C
613
+ ATOM 613 O ALA A 82 99.598 -4.255 14.341 1.00 36.53 O
614
+ ATOM 614 CB ALA A 82 101.677 -2.144 15.655 1.00 44.43 C
615
+ ATOM 615 N GLU A 83 101.454 -4.028 13.073 1.00 39.03 N
616
+ ATOM 616 CA GLU A 83 101.425 -5.388 12.552 1.00 41.31 C
617
+ ATOM 617 C GLU A 83 102.715 -6.122 12.936 1.00 42.56 C
618
+ ATOM 618 O GLU A 83 103.812 -5.585 12.761 1.00 42.28 O
619
+ ATOM 619 CB GLU A 83 101.260 -5.370 11.031 1.00 45.72 C
620
+ ATOM 620 CG GLU A 83 100.431 -6.523 10.485 1.00 61.70 C
621
+ ATOM 621 CD GLU A 83 98.936 -6.322 10.675 1.00 99.00 C
622
+ ATOM 622 OE1 GLU A 83 98.438 -5.209 10.392 1.00 99.00 O
623
+ ATOM 623 OE2 GLU A 83 98.259 -7.280 11.108 1.00 78.02 O
624
+ ATOM 624 N CYS A 84 102.563 -7.341 13.452 1.00 39.94 N
625
+ ATOM 625 CA CYS A 84 103.684 -8.169 13.903 1.00 42.10 C
626
+ ATOM 626 C CYS A 84 103.820 -9.429 13.060 1.00 42.69 C
627
+ ATOM 627 O CYS A 84 102.843 -9.909 12.481 1.00 40.13 O
628
+ ATOM 628 CB CYS A 84 103.495 -8.595 15.362 1.00 40.60 C
629
+ ATOM 629 SG CYS A 84 102.845 -7.338 16.486 1.00 52.09 S
630
+ ATOM 630 N ALA A 85 105.040 -9.959 12.999 1.00 39.64 N
631
+ ATOM 631 CA ALA A 85 105.303 -11.224 12.321 1.00 40.79 C
632
+ ATOM 632 C ALA A 85 106.339 -12.021 13.103 1.00 40.85 C
633
+ ATOM 633 O ALA A 85 107.163 -11.443 13.816 1.00 41.25 O
634
+ ATOM 634 CB ALA A 85 105.790 -10.971 10.906 1.00 38.96 C
635
+ ATOM 635 N CYS A 86 106.299 -13.343 12.972 1.00 42.25 N
636
+ ATOM 636 CA CYS A 86 107.292 -14.186 13.633 1.00 45.15 C
637
+ ATOM 637 C CYS A 86 108.584 -14.272 12.812 1.00 47.98 C
638
+ ATOM 638 O CYS A 86 108.559 -14.180 11.579 1.00 44.32 O
639
+ ATOM 639 CB CYS A 86 106.723 -15.577 13.923 1.00 44.62 C
640
+ ATOM 640 SG CYS A 86 105.371 -15.586 15.137 1.00 53.40 S
641
+ ATOM 641 N ARG A 87 109.707 -14.448 13.508 1.00 50.19 N
642
+ ATOM 642 CA ARG A 87 111.013 -14.608 12.871 1.00 51.33 C
643
+ ATOM 643 C ARG A 87 111.084 -15.845 11.982 1.00 47.42 C
644
+ ATOM 644 O ARG A 87 110.299 -16.791 12.143 1.00 46.27 O
645
+ ATOM 645 CB ARG A 87 112.127 -14.642 13.923 1.00 52.97 C
646
+ ATOM 646 CG ARG A 87 112.894 -13.329 14.042 1.00 68.67 C
647
+ ATOM 647 CD ARG A 87 113.516 -13.142 15.419 1.00 85.00 C
648
+ ATOM 648 NE ARG A 87 112.539 -12.645 16.387 1.00 99.00 N
649
+ ATOM 649 CZ ARG A 87 112.844 -12.028 17.526 1.00 99.00 C
650
+ ATOM 650 NH1 ARG A 87 114.111 -11.818 17.863 1.00 94.17 N
651
+ ATOM 651 NH2 ARG A 87 111.874 -11.618 18.331 1.00 63.78 N
652
+ ATOM 652 N ASN A 88 112.031 -15.825 11.045 1.00 47.74 N
653
+ ATOM 653 CA ASN A 88 112.278 -16.945 10.143 1.00 54.37 C
654
+ ATOM 654 C ASN A 88 112.450 -18.253 10.916 1.00 57.29 C
655
+ ATOM 655 O ASN A 88 113.253 -18.325 11.853 1.00 59.00 O
656
+ ATOM 656 CB ASN A 88 113.526 -16.670 9.297 1.00 55.15 C
657
+ ATOM 657 CG ASN A 88 113.573 -17.502 8.022 1.00 69.84 C
658
+ ATOM 658 OD1 ASN A 88 113.400 -18.721 8.049 1.00 72.26 O
659
+ ATOM 659 ND2 ASN A 88 113.810 -16.838 6.896 1.00 99.00 N
660
+ ATOM 660 N GLY A 89 111.695 -19.275 10.520 1.00 57.37 N
661
+ ATOM 661 CA GLY A 89 111.777 -20.592 11.152 1.00 62.53 C
662
+ ATOM 662 C GLY A 89 110.727 -20.835 12.222 1.00 64.45 C
663
+ ATOM 663 O GLY A 89 110.315 -21.975 12.446 1.00 64.58 O
664
+ ATOM 664 N TRP A 90 110.298 -19.759 12.880 1.00 62.88 N
665
+ ATOM 665 CA TRP A 90 109.278 -19.825 13.926 1.00 62.92 C
666
+ ATOM 666 C TRP A 90 107.884 -19.900 13.300 1.00 63.34 C
667
+ ATOM 667 O TRP A 90 107.733 -19.707 12.091 1.00 65.14 O
668
+ ATOM 668 CB TRP A 90 109.372 -18.593 14.835 1.00 62.50 C
669
+ ATOM 669 CG TRP A 90 110.704 -18.402 15.535 1.00 71.72 C
670
+ ATOM 670 CD1 TRP A 90 111.944 -18.348 14.956 1.00 96.92 C
671
+ ATOM 671 CD2 TRP A 90 110.917 -18.238 16.945 1.00 99.00 C
672
+ ATOM 672 NE1 TRP A 90 112.911 -18.163 15.916 1.00 61.96 N
673
+ ATOM 673 CE2 TRP A 90 112.309 -18.092 17.144 1.00 99.00 C
674
+ ATOM 674 CE3 TRP A 90 110.066 -18.201 18.059 1.00 99.00 C
675
+ ATOM 675 CZ2 TRP A 90 112.870 -17.912 18.414 1.00 99.00 C
676
+ ATOM 676 CZ3 TRP A 90 110.624 -18.022 19.321 1.00 73.32 C
677
+ ATOM 677 CH2 TRP A 90 112.014 -17.880 19.487 1.00 99.00 C
678
+ ATOM 678 N GLN A 91 106.872 -20.179 14.118 1.00 62.26 N
679
+ ATOM 679 CA GLN A 91 105.478 -20.102 13.665 1.00 64.00 C
680
+ ATOM 680 C GLN A 91 104.587 -19.349 14.653 1.00 63.96 C
681
+ ATOM 681 O GLN A 91 104.876 -19.297 15.851 1.00 65.23 O
682
+ ATOM 682 CB GLN A 91 104.897 -21.488 13.333 1.00 64.09 C
683
+ ATOM 683 CG GLN A 91 104.752 -22.452 14.511 1.00 73.91 C
684
+ ATOM 684 CD GLN A 91 105.927 -23.408 14.655 1.00 99.00 C
685
+ ATOM 685 OE1 GLN A 91 106.150 -23.968 15.729 1.00 99.00 O
686
+ ATOM 686 NE2 GLN A 91 106.683 -23.601 13.575 1.00 79.49 N
687
+ ATOM 687 N CYS A 92 103.506 -18.771 14.136 1.00 62.46 N
688
+ ATOM 688 CA CYS A 92 102.560 -18.005 14.946 1.00 62.89 C
689
+ ATOM 689 C CYS A 92 101.630 -18.928 15.727 1.00 64.22 C
690
+ ATOM 690 O CYS A 92 101.059 -19.865 15.162 1.00 63.59 O
691
+ ATOM 691 CB CYS A 92 101.735 -17.066 14.059 1.00 61.85 C
692
+ ATOM 692 SG CYS A 92 102.715 -16.017 12.968 1.00 72.93 S
693
+ ATOM 693 N ARG A 93 101.484 -18.656 17.023 1.00 66.42 N
694
+ ATOM 694 CA ARG A 93 100.548 -19.390 17.879 1.00 67.71 C
695
+ ATOM 695 C ARG A 93 99.148 -18.802 17.744 1.00 66.69 C
696
+ ATOM 696 O ARG A 93 98.148 -19.511 17.876 1.00 68.12 O
697
+ ATOM 697 CB ARG A 93 100.983 -19.330 19.349 1.00 67.01 C
698
+ ATOM 698 CG ARG A 93 102.320 -19.994 19.664 1.00 78.55 C
699
+ ATOM 699 CD ARG A 93 102.695 -19.780 21.128 1.00 61.70 C
700
+ ATOM 700 NE ARG A 93 104.089 -20.124 21.408 1.00 99.00 N
701
+ ATOM 701 CZ ARG A 93 104.514 -21.330 21.775 1.00 99.00 C
702
+ ATOM 702 NH1 ARG A 93 103.658 -22.335 21.914 1.00 99.00 N
703
+ ATOM 703 NH2 ARG A 93 105.804 -21.534 22.005 1.00 84.60 N
704
+ ATOM 704 N ASP A 94 99.095 -17.498 17.480 1.00 64.03 N
705
+ ATOM 705 CA ASP A 94 97.842 -16.754 17.393 1.00 62.14 C
706
+ ATOM 706 C ASP A 94 97.697 -16.069 16.035 1.00 58.76 C
707
+ ATOM 707 O ASP A 94 98.627 -16.077 15.220 1.00 51.27 O
708
+ ATOM 708 CB ASP A 94 97.766 -15.713 18.519 1.00 61.59 C
709
+ ATOM 709 CG ASP A 94 98.857 -14.655 18.416 1.00 66.77 C
710
+ ATOM 710 OD1 ASP A 94 100.019 -15.013 18.120 1.00 65.30 O
711
+ ATOM 711 OD2 ASP A 94 98.550 -13.464 18.633 1.00 79.05 O
712
+ ATOM 712 N LYS A 95 96.523 -15.480 15.811 1.00 55.53 N
713
+ ATOM 713 CA LYS A 95 96.191 -14.797 14.556 1.00 55.37 C
714
+ ATOM 714 C LYS A 95 97.164 -13.667 14.215 1.00 52.29 C
715
+ ATOM 715 O LYS A 95 97.575 -13.521 13.059 1.00 50.64 O
716
+ ATOM 716 CB LYS A 95 94.753 -14.255 14.602 1.00 54.56 C
717
+ ATOM 717 CG LYS A 95 93.703 -15.288 15.004 1.00 65.52 C
718
+ ATOM 718 CD LYS A 95 92.300 -14.702 14.996 1.00 99.00 C
719
+ ATOM 719 CE LYS A 95 91.264 -15.766 15.333 1.00 99.00 C
720
+ ATOM 720 NZ LYS A 95 89.877 -15.226 15.315 1.00 70.88 N
721
+ ATOM 721 N GLU A 96 97.528 -12.872 15.220 1.00 50.37 N
722
+ ATOM 722 CA GLU A 96 98.313 -11.654 14.991 1.00 48.90 C
723
+ ATOM 723 C GLU A 96 99.827 -11.812 15.195 1.00 49.60 C
724
+ ATOM 724 O GLU A 96 100.569 -10.827 15.159 1.00 50.32 O
725
+ ATOM 725 CB GLU A 96 97.756 -10.481 15.817 1.00 52.45 C
726
+ ATOM 726 CG GLU A 96 96.343 -10.014 15.402 1.00 48.44 C
727
+ ATOM 727 CD GLU A 96 96.237 -9.554 13.943 1.00 99.00 C
728
+ ATOM 728 OE1 GLU A 96 95.160 -9.759 13.344 1.00 81.57 O
729
+ ATOM 729 OE2 GLU A 96 97.213 -8.992 13.391 1.00 46.43 O
730
+ ATOM 730 N CYS A 97 100.274 -13.050 15.407 1.00 46.94 N
731
+ ATOM 731 CA CYS A 97 101.702 -13.378 15.528 1.00 47.93 C
732
+ ATOM 732 C CYS A 97 102.433 -12.567 16.610 1.00 49.09 C
733
+ ATOM 733 O CYS A 97 103.568 -12.115 16.410 1.00 51.01 O
734
+ ATOM 734 CB CYS A 97 102.408 -13.254 14.166 1.00 43.13 C
735
+ ATOM 735 SG CYS A 97 101.666 -14.275 12.879 1.00 50.33 S
736
+ ATOM 736 N THR A 98 101.773 -12.390 17.753 1.00 53.36 N
737
+ ATOM 737 CA THR A 98 102.400 -11.777 18.926 1.00 57.34 C
738
+ ATOM 738 C THR A 98 103.105 -12.850 19.754 1.00 60.40 C
739
+ ATOM 739 O THR A 98 104.066 -12.563 20.473 1.00 61.42 O
740
+ ATOM 740 CB THR A 98 101.383 -11.012 19.806 1.00 53.82 C
741
+ ATOM 741 OG1 THR A 98 100.314 -11.887 20.186 1.00 66.41 O
742
+ ATOM 742 CG2 THR A 98 100.812 -9.809 19.055 1.00 67.97 C
743
+ ATOM 743 N GLU A 99 102.614 -14.083 19.640 1.00 62.65 N
744
+ ATOM 744 CA GLU A 99 103.210 -15.245 20.295 1.00 66.67 C
745
+ ATOM 745 C GLU A 99 103.757 -16.224 19.255 1.00 66.56 C
746
+ ATOM 746 O GLU A 99 103.012 -16.731 18.407 1.00 66.83 O
747
+ ATOM 747 CB GLU A 99 102.182 -15.946 21.186 1.00 67.20 C
748
+ ATOM 748 CG GLU A 99 101.688 -15.106 22.356 1.00 0.00 C
749
+ ATOM 749 CD GLU A 99 100.679 -15.825 23.207 1.00 0.00 C
750
+ ATOM 750 OE1 GLU A 99 100.291 -16.910 22.846 1.00 0.00 O
751
+ ATOM 751 OE2 GLU A 99 100.297 -15.290 24.221 1.00 0.00 O
752
+ ATOM 752 N CYS A 100 105.062 -16.479 19.331 1.00 64.80 N
753
+ ATOM 753 CA CYS A 100 105.767 -17.290 18.336 1.00 63.82 C
754
+ ATOM 754 C CYS A 100 106.409 -18.538 18.946 1.00 64.55 C
755
+ ATOM 755 O CYS A 100 107.053 -18.464 19.994 1.00 60.81 O
756
+ ATOM 756 CB CYS A 100 106.836 -16.450 17.626 1.00 59.62 C
757
+ ATOM 757 SG CYS A 100 106.225 -14.927 16.855 1.00 63.28 S
758
+ ATOM 758 N ASP A 101 106.224 -19.677 18.278 1.00 66.64 N
759
+ ATOM 759 CA ASP A 101 106.794 -20.950 18.715 1.00 68.16 C
760
+ ATOM 760 C ASP A 101 108.075 -21.272 17.950 1.00 68.97 C
761
+ ATOM 761 O ASP A 101 109.163 -21.308 18.526 1.00 67.62 O
762
+ ATOM 762 OXT ASP A 101 108.030 -21.494 16.772 1.00 0.00 O
763
+ ATOM 763 CB ASP A 101 105.783 -22.084 18.528 1.00 68.28 C
764
+ ATOM 764 CG ASP A 101 106.281 -23.418 19.067 1.00 0.00 C
765
+ ATOM 765 OD1 ASP A 101 107.427 -23.493 19.442 1.00 0.00 O
766
+ ATOM 766 OD2 ASP A 101 105.511 -24.348 19.099 1.00 0.00 O
767
+ TER 767 ASP A 101
768
+ END
sabdab_v0.5.2_diffab_chothia/raw_pdbs/10044_5tl5_HL.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/11733_5tlk_HG.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/11733_5tlk_HG_Y.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/11733_5tlk_Y.pdb ADDED
@@ -0,0 +1,620 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N LYS A 5 -14.218 -3.535 101.362 1.00 79.56 N
2
+ ATOM 2 CA LYS A 5 -15.324 -3.477 100.363 1.00 84.71 C
3
+ ATOM 3 C LYS A 5 -15.230 -2.174 99.563 1.00 81.28 C
4
+ ATOM 4 O LYS A 5 -15.739 -1.124 99.979 1.00 81.63 O
5
+ ATOM 5 CB LYS A 5 -16.681 -3.615 101.064 1.00 90.26 C
6
+ ATOM 6 CG LYS A 5 -17.727 -4.401 100.280 1.00 92.66 C
7
+ ATOM 7 CD LYS A 5 -18.947 -4.732 101.136 1.00 94.38 C
8
+ ATOM 8 CE LYS A 5 -18.698 -5.898 102.090 1.00 92.97 C
9
+ ATOM 9 NZ LYS A 5 -19.766 -6.028 103.122 1.00 87.51 N
10
+ ATOM 10 N SER A 6 -14.563 -2.260 98.414 1.00 74.15 N
11
+ ATOM 11 CA SER A 6 -14.253 -1.090 97.591 1.00 75.76 C
12
+ ATOM 12 C SER A 6 -15.353 -0.744 96.588 1.00 70.43 C
13
+ ATOM 13 O SER A 6 -15.813 0.401 96.529 1.00 66.84 O
14
+ ATOM 14 CB SER A 6 -12.913 -1.285 96.871 1.00 83.16 C
15
+ ATOM 15 OG SER A 6 -12.905 -2.487 96.116 1.00 88.88 O
16
+ ATOM 16 N CYS A 7 -15.766 -1.742 95.810 1.00 69.13 N
17
+ ATOM 17 CA CYS A 7 -16.699 -1.554 94.707 1.00 69.84 C
18
+ ATOM 18 C CYS A 7 -17.823 -2.597 94.737 1.00 63.85 C
19
+ ATOM 19 O CYS A 7 -17.674 -3.627 95.405 1.00 65.83 O
20
+ ATOM 20 CB CYS A 7 -15.940 -1.594 93.374 1.00 78.58 C
21
+ ATOM 21 SG CYS A 7 -14.920 -0.130 93.055 1.00 97.79 S
22
+ ATOM 22 N PRO A 8 -18.957 -2.323 94.040 1.00 59.02 N
23
+ ATOM 23 CA PRO A 8 -20.080 -3.270 93.877 1.00 57.93 C
24
+ ATOM 24 C PRO A 8 -19.702 -4.646 93.311 1.00 64.14 C
25
+ ATOM 25 O PRO A 8 -18.525 -4.916 93.054 1.00 69.99 O
26
+ ATOM 26 CB PRO A 8 -20.999 -2.549 92.888 1.00 55.82 C
27
+ ATOM 27 CG PRO A 8 -20.744 -1.104 93.112 1.00 55.68 C
28
+ ATOM 28 CD PRO A 8 -19.316 -0.973 93.549 1.00 56.61 C
29
+ ATOM 29 N GLU A 9 -20.707 -5.501 93.121 1.00 71.97 N
30
+ ATOM 30 CA GLU A 9 -20.520 -6.840 92.558 1.00 81.43 C
31
+ ATOM 31 C GLU A 9 -20.062 -6.777 91.096 1.00 83.28 C
32
+ ATOM 32 O GLU A 9 -20.713 -6.136 90.261 1.00 84.23 O
33
+ ATOM 33 CB GLU A 9 -21.813 -7.661 92.692 1.00 90.27 C
34
+ ATOM 34 CG GLU A 9 -21.620 -9.176 92.696 1.00 94.84 C
35
+ ATOM 35 CD GLU A 9 -20.796 -9.678 93.875 1.00101.46 C
36
+ ATOM 36 OE1 GLU A 9 -21.091 -9.298 95.031 1.00103.33 O
37
+ ATOM 37 OE2 GLU A 9 -19.850 -10.462 93.643 1.00101.45 O
38
+ ATOM 38 N ARG A 10 -18.939 -7.445 90.818 1.00 80.93 N
39
+ ATOM 39 CA ARG A 10 -18.288 -7.500 89.490 1.00 77.54 C
40
+ ATOM 40 C ARG A 10 -17.762 -6.132 89.008 1.00 73.74 C
41
+ ATOM 41 O ARG A 10 -17.832 -5.808 87.820 1.00 81.26 O
42
+ ATOM 42 CB ARG A 10 -19.188 -8.184 88.436 1.00 77.76 C
43
+ ATOM 43 CG ARG A 10 -19.531 -9.636 88.741 1.00 84.06 C
44
+ ATOM 44 CD ARG A 10 -20.419 -10.251 87.670 1.00 93.63 C
45
+ ATOM 45 NE ARG A 10 -21.829 -9.869 87.792 1.00107.89 N
46
+ ATOM 46 CZ ARG A 10 -22.774 -10.610 88.373 1.00116.16 C
47
+ ATOM 47 NH1 ARG A 10 -22.486 -11.795 88.902 1.00119.54 N
48
+ ATOM 48 NH2 ARG A 10 -24.022 -10.162 88.425 1.00115.20 N
49
+ ATOM 49 N HIS A 11 -17.230 -5.348 89.947 1.00 67.36 N
50
+ ATOM 50 CA HIS A 11 -16.641 -4.033 89.668 1.00 66.43 C
51
+ ATOM 51 C HIS A 11 -15.223 -3.932 90.238 1.00 66.04 C
52
+ ATOM 52 O HIS A 11 -14.820 -4.761 91.059 1.00 68.36 O
53
+ ATOM 53 CB HIS A 11 -17.510 -2.917 90.258 1.00 69.79 C
54
+ ATOM 54 CG HIS A 11 -18.829 -2.730 89.572 1.00 71.63 C
55
+ ATOM 55 ND1 HIS A 11 -19.855 -3.646 89.664 1.00 73.36 N
56
+ ATOM 56 CD2 HIS A 11 -19.303 -1.713 88.814 1.00 73.30 C
57
+ ATOM 57 CE1 HIS A 11 -20.896 -3.211 88.976 1.00 74.09 C
58
+ ATOM 58 NE2 HIS A 11 -20.588 -2.038 88.454 1.00 73.79 N
59
+ ATOM 59 N TYR A 12 -14.477 -2.914 89.811 1.00 66.56 N
60
+ ATOM 60 CA TYR A 12 -13.100 -2.710 90.270 1.00 73.46 C
61
+ ATOM 61 C TYR A 12 -12.745 -1.231 90.459 1.00 74.59 C
62
+ ATOM 62 O TYR A 12 -13.332 -0.353 89.816 1.00 74.55 O
63
+ ATOM 63 CB TYR A 12 -12.102 -3.399 89.320 1.00 80.13 C
64
+ ATOM 64 CG TYR A 12 -11.937 -2.718 87.974 1.00 86.57 C
65
+ ATOM 65 CD1 TYR A 12 -12.813 -2.991 86.916 1.00 86.78 C
66
+ ATOM 66 CD2 TYR A 12 -10.898 -1.800 87.755 1.00 84.20 C
67
+ ATOM 67 CE1 TYR A 12 -12.668 -2.364 85.684 1.00 86.10 C
68
+ ATOM 68 CE2 TYR A 12 -10.746 -1.169 86.527 1.00 87.11 C
69
+ ATOM 69 CZ TYR A 12 -11.631 -1.456 85.497 1.00 89.50 C
70
+ ATOM 70 OH TYR A 12 -11.482 -0.836 84.278 1.00 95.46 O
71
+ ATOM 71 N TRP A 13 -11.772 -0.984 91.336 1.00 73.44 N
72
+ ATOM 72 CA TRP A 13 -11.258 0.356 91.629 1.00 77.68 C
73
+ ATOM 73 C TRP A 13 -10.262 0.772 90.537 1.00 83.38 C
74
+ ATOM 74 O TRP A 13 -9.162 0.216 90.447 1.00 81.62 O
75
+ ATOM 75 CB TRP A 13 -10.622 0.363 93.027 1.00 75.12 C
76
+ ATOM 76 CG TRP A 13 -10.406 1.719 93.636 1.00 73.81 C
77
+ ATOM 77 CD1 TRP A 13 -9.217 2.241 94.059 1.00 76.96 C
78
+ ATOM 78 CD2 TRP A 13 -11.402 2.719 93.907 1.00 74.09 C
79
+ ATOM 79 NE1 TRP A 13 -9.405 3.502 94.574 1.00 76.55 N
80
+ ATOM 80 CE2 TRP A 13 -10.733 3.824 94.489 1.00 75.37 C
81
+ ATOM 81 CE3 TRP A 13 -12.792 2.792 93.712 1.00 71.08 C
82
+ ATOM 82 CZ2 TRP A 13 -11.405 4.992 94.880 1.00 75.20 C
83
+ ATOM 83 CZ3 TRP A 13 -13.463 3.956 94.099 1.00 72.32 C
84
+ ATOM 84 CH2 TRP A 13 -12.765 5.039 94.680 1.00 76.58 C
85
+ ATOM 85 N ALA A 14 -10.663 1.756 89.727 1.00 84.65 N
86
+ ATOM 86 CA ALA A 14 -10.054 2.034 88.414 1.00 86.11 C
87
+ ATOM 87 C ALA A 14 -8.634 2.619 88.425 1.00 89.87 C
88
+ ATOM 88 O ALA A 14 -7.650 1.872 88.448 1.00 97.70 O
89
+ ATOM 89 CB ALA A 14 -10.994 2.883 87.563 1.00 90.97 C
90
+ ATOM 90 N GLN A 15 -8.540 3.947 88.382 1.00 86.22 N
91
+ ATOM 91 CA GLN A 15 -7.259 4.656 88.384 1.00 88.63 C
92
+ ATOM 92 C GLN A 15 -7.013 5.198 89.794 1.00 89.19 C
93
+ ATOM 93 O GLN A 15 -6.437 6.278 89.981 1.00 84.18 O
94
+ ATOM 94 CB GLN A 15 -7.267 5.779 87.334 1.00 91.79 C
95
+ ATOM 95 CG GLN A 15 -7.353 5.299 85.886 1.00 92.88 C
96
+ ATOM 96 CD GLN A 15 -7.799 6.378 84.909 1.00 92.82 C
97
+ ATOM 97 OE1 GLN A 15 -8.688 7.183 85.201 1.00 99.32 O
98
+ ATOM 98 NE2 GLN A 15 -7.192 6.385 83.729 1.00 88.45 N
99
+ ATOM 99 N GLY A 16 -7.454 4.415 90.780 1.00 90.44 N
100
+ ATOM 100 CA GLY A 16 -7.528 4.843 92.173 1.00 86.41 C
101
+ ATOM 101 C GLY A 16 -8.627 5.866 92.415 1.00 85.43 C
102
+ ATOM 102 O GLY A 16 -8.619 6.544 93.447 1.00 84.58 O
103
+ ATOM 103 N LYS A 17 -9.582 5.954 91.483 1.00 80.29 N
104
+ ATOM 104 CA LYS A 17 -10.555 7.052 91.448 1.00 76.31 C
105
+ ATOM 105 C LYS A 17 -12.027 6.618 91.458 1.00 71.76 C
106
+ ATOM 106 O LYS A 17 -12.820 7.156 92.234 1.00 66.95 O
107
+ ATOM 107 CB LYS A 17 -10.275 7.972 90.248 1.00 79.82 C
108
+ ATOM 108 CG LYS A 17 -10.904 9.358 90.349 1.00 80.43 C
109
+ ATOM 109 CD LYS A 17 -10.840 10.103 89.024 1.00 79.02 C
110
+ ATOM 110 CE LYS A 17 -11.558 11.441 89.104 1.00 74.12 C
111
+ ATOM 111 NZ LYS A 17 -11.672 12.104 87.776 1.00 70.33 N
112
+ ATOM 112 N LEU A 18 -12.392 5.670 90.595 1.00 72.48 N
113
+ ATOM 113 CA LEU A 18 -13.798 5.281 90.431 1.00 75.02 C
114
+ ATOM 114 C LEU A 18 -14.002 3.765 90.404 1.00 77.93 C
115
+ ATOM 115 O LEU A 18 -13.040 3.002 90.266 1.00 75.86 O
116
+ ATOM 116 CB LEU A 18 -14.411 5.903 89.160 1.00 80.40 C
117
+ ATOM 117 CG LEU A 18 -13.766 7.063 88.397 1.00 84.41 C
118
+ ATOM 118 CD1 LEU A 18 -12.993 6.516 87.206 1.00 84.02 C
119
+ ATOM 119 CD2 LEU A 18 -14.813 8.063 87.938 1.00 86.65 C
120
+ ATOM 120 N CYS A 19 -15.261 3.347 90.556 1.00 80.42 N
121
+ ATOM 121 CA CYS A 19 -15.671 1.966 90.314 1.00 81.15 C
122
+ ATOM 122 C CYS A 19 -16.158 1.829 88.877 1.00 80.08 C
123
+ ATOM 123 O CYS A 19 -17.079 2.534 88.456 1.00 77.32 O
124
+ ATOM 124 CB CYS A 19 -16.764 1.526 91.290 1.00 85.37 C
125
+ ATOM 125 SG CYS A 19 -16.235 1.430 93.016 1.00 95.81 S
126
+ ATOM 126 N CYS A 20 -15.502 0.945 88.128 1.00 75.85 N
127
+ ATOM 127 CA CYS A 20 -15.896 0.606 86.763 1.00 70.10 C
128
+ ATOM 128 C CYS A 20 -16.293 -0.855 86.739 1.00 67.55 C
129
+ ATOM 129 O CYS A 20 -15.744 -1.655 87.503 1.00 68.08 O
130
+ ATOM 130 CB CYS A 20 -14.738 0.831 85.787 1.00 73.48 C
131
+ ATOM 131 SG CYS A 20 -14.234 2.553 85.561 1.00 80.78 S
132
+ ATOM 132 N GLN A 21 -17.242 -1.199 85.869 1.00 65.75 N
133
+ ATOM 133 CA GLN A 21 -17.647 -2.592 85.666 1.00 67.59 C
134
+ ATOM 134 C GLN A 21 -16.485 -3.385 85.089 1.00 72.94 C
135
+ ATOM 135 O GLN A 21 -15.760 -2.894 84.216 1.00 72.29 O
136
+ ATOM 136 CB GLN A 21 -18.847 -2.701 84.723 1.00 65.91 C
137
+ ATOM 137 CG GLN A 21 -20.120 -2.020 85.202 1.00 65.52 C
138
+ ATOM 138 CD GLN A 21 -21.185 -1.936 84.124 1.00 64.78 C
139
+ ATOM 139 OE1 GLN A 21 -21.541 -2.939 83.504 1.00 67.72 O
140
+ ATOM 140 NE2 GLN A 21 -21.707 -0.734 83.901 1.00 60.13 N
141
+ ATOM 141 N MET A 22 -16.304 -4.600 85.602 1.00 79.21 N
142
+ ATOM 142 CA MET A 22 -15.302 -5.533 85.084 1.00 78.13 C
143
+ ATOM 143 C MET A 22 -15.727 -6.035 83.706 1.00 73.15 C
144
+ ATOM 144 O MET A 22 -16.920 -6.027 83.374 1.00 71.16 O
145
+ ATOM 145 CB MET A 22 -15.102 -6.709 86.048 1.00 79.07 C
146
+ ATOM 146 CG MET A 22 -14.272 -6.391 87.284 1.00 82.40 C
147
+ ATOM 147 SD MET A 22 -14.167 -7.805 88.401 1.00 89.85 S
148
+ ATOM 148 CE MET A 22 -12.990 -7.213 89.613 1.00 87.17 C
149
+ ATOM 149 N CYS A 23 -14.748 -6.459 82.910 1.00 70.44 N
150
+ ATOM 150 CA CYS A 23 -15.004 -6.955 81.562 1.00 71.78 C
151
+ ATOM 151 C CYS A 23 -15.717 -8.297 81.574 1.00 73.41 C
152
+ ATOM 152 O CYS A 23 -15.214 -9.278 82.132 1.00 79.14 O
153
+ ATOM 153 CB CYS A 23 -13.713 -7.033 80.741 1.00 71.39 C
154
+ ATOM 154 SG CYS A 23 -13.073 -5.427 80.212 1.00 77.47 S
155
+ ATOM 155 N GLU A 24 -16.900 -8.304 80.963 1.00 69.32 N
156
+ ATOM 156 CA GLU A 24 -17.708 -9.504 80.717 1.00 73.04 C
157
+ ATOM 157 C GLU A 24 -16.887 -10.667 80.126 1.00 74.41 C
158
+ ATOM 158 O GLU A 24 -15.980 -10.425 79.326 1.00 75.04 O
159
+ ATOM 159 CB GLU A 24 -18.883 -9.151 79.794 1.00 77.23 C
160
+ ATOM 160 CG GLU A 24 -18.499 -8.336 78.559 1.00 86.57 C
161
+ ATOM 161 CD GLU A 24 -19.655 -7.579 77.927 1.00 94.04 C
162
+ ATOM 162 OE1 GLU A 24 -20.435 -6.933 78.660 1.00 98.32 O
163
+ ATOM 163 OE2 GLU A 24 -19.768 -7.610 76.682 1.00 96.98 O
164
+ ATOM 164 N PRO A 25 -17.182 -11.925 80.537 1.00 74.46 N
165
+ ATOM 165 CA PRO A 25 -16.497 -13.094 79.971 1.00 74.67 C
166
+ ATOM 166 C PRO A 25 -16.537 -13.134 78.443 1.00 73.36 C
167
+ ATOM 167 O PRO A 25 -17.552 -12.775 77.837 1.00 75.70 O
168
+ ATOM 168 CB PRO A 25 -17.276 -14.266 80.566 1.00 76.62 C
169
+ ATOM 169 CG PRO A 25 -17.692 -13.757 81.902 1.00 74.34 C
170
+ ATOM 170 CD PRO A 25 -18.057 -12.319 81.659 1.00 73.66 C
171
+ ATOM 171 N GLY A 26 -15.423 -13.548 77.844 1.00 70.52 N
172
+ ATOM 172 CA GLY A 26 -15.266 -13.552 76.392 1.00 65.79 C
173
+ ATOM 173 C GLY A 26 -14.715 -12.255 75.832 1.00 61.58 C
174
+ ATOM 174 O GLY A 26 -14.702 -12.063 74.616 1.00 62.28 O
175
+ ATOM 175 N THR A 27 -14.284 -11.359 76.721 1.00 56.37 N
176
+ ATOM 176 CA THR A 27 -13.691 -10.072 76.341 1.00 56.33 C
177
+ ATOM 177 C THR A 27 -12.378 -9.824 77.104 1.00 58.65 C
178
+ ATOM 178 O THR A 27 -11.926 -10.688 77.861 1.00 63.08 O
179
+ ATOM 179 CB THR A 27 -14.666 -8.872 76.538 1.00 58.70 C
180
+ ATOM 180 OG1 THR A 27 -14.802 -8.559 77.930 1.00 62.40 O
181
+ ATOM 181 CG2 THR A 27 -16.037 -9.136 75.923 1.00 57.48 C
182
+ ATOM 182 N PHE A 28 -11.768 -8.657 76.885 1.00 54.24 N
183
+ ATOM 183 CA PHE A 28 -10.559 -8.232 77.608 1.00 55.50 C
184
+ ATOM 184 C PHE A 28 -10.570 -6.716 77.817 1.00 55.77 C
185
+ ATOM 185 O PHE A 28 -11.253 -5.996 77.085 1.00 62.46 O
186
+ ATOM 186 CB PHE A 28 -9.277 -8.700 76.883 1.00 55.85 C
187
+ ATOM 187 CG PHE A 28 -9.074 -8.080 75.525 1.00 56.23 C
188
+ ATOM 188 CD1 PHE A 28 -8.335 -6.905 75.383 1.00 56.50 C
189
+ ATOM 189 CD2 PHE A 28 -9.611 -8.674 74.383 1.00 56.69 C
190
+ ATOM 190 CE1 PHE A 28 -8.146 -6.328 74.133 1.00 58.69 C
191
+ ATOM 191 CE2 PHE A 28 -9.429 -8.099 73.131 1.00 56.45 C
192
+ ATOM 192 CZ PHE A 28 -8.695 -6.925 73.006 1.00 57.30 C
193
+ ATOM 193 N LEU A 29 -9.817 -6.233 78.801 1.00 55.64 N
194
+ ATOM 194 CA LEU A 29 -9.810 -4.804 79.113 1.00 57.48 C
195
+ ATOM 195 C LEU A 29 -8.965 -3.988 78.140 1.00 59.24 C
196
+ ATOM 196 O LEU A 29 -7.791 -4.290 77.912 1.00 61.57 O
197
+ ATOM 197 CB LEU A 29 -9.409 -4.540 80.577 1.00 58.32 C
198
+ ATOM 198 CG LEU A 29 -9.400 -3.096 81.111 1.00 60.56 C
199
+ ATOM 199 CD1 LEU A 29 -10.727 -2.382 80.899 1.00 63.11 C
200
+ ATOM 200 CD2 LEU A 29 -9.014 -3.048 82.582 1.00 62.68 C
201
+ ATOM 201 N VAL A 30 -9.593 -2.960 77.571 1.00 60.06 N
202
+ ATOM 202 CA VAL A 30 -8.920 -2.004 76.692 1.00 62.22 C
203
+ ATOM 203 C VAL A 30 -8.734 -0.673 77.430 1.00 63.46 C
204
+ ATOM 204 O VAL A 30 -7.617 -0.162 77.509 1.00 63.69 O
205
+ ATOM 205 CB VAL A 30 -9.660 -1.811 75.336 1.00 65.01 C
206
+ ATOM 206 CG1 VAL A 30 -8.820 -0.982 74.368 1.00 64.01 C
207
+ ATOM 207 CG2 VAL A 30 -10.001 -3.153 74.697 1.00 62.02 C
208
+ ATOM 208 N LYS A 31 -9.820 -0.129 77.982 1.00 67.57 N
209
+ ATOM 209 CA LYS A 31 -9.775 1.151 78.691 1.00 70.26 C
210
+ ATOM 210 C LYS A 31 -10.660 1.156 79.944 1.00 71.64 C
211
+ ATOM 211 O LYS A 31 -11.794 0.664 79.918 1.00 70.46 O
212
+ ATOM 212 CB LYS A 31 -10.165 2.297 77.744 1.00 73.02 C
213
+ ATOM 213 CG LYS A 31 -9.572 3.653 78.103 1.00 79.43 C
214
+ ATOM 214 CD LYS A 31 -9.621 4.622 76.928 1.00 84.57 C
215
+ ATOM 215 CE LYS A 31 -8.639 5.774 77.119 1.00 89.04 C
216
+ ATOM 216 NZ LYS A 31 -8.351 6.529 75.863 1.00 85.07 N
217
+ ATOM 217 N ASP A 32 -10.116 1.702 81.036 1.00 75.55 N
218
+ ATOM 218 CA ASP A 32 -10.880 1.993 82.252 1.00 74.79 C
219
+ ATOM 219 C ASP A 32 -11.965 2.998 81.904 1.00 76.55 C
220
+ ATOM 220 O ASP A 32 -11.705 3.965 81.173 1.00 78.89 O
221
+ ATOM 221 CB ASP A 32 -9.984 2.606 83.344 1.00 75.13 C
222
+ ATOM 222 CG ASP A 32 -8.903 1.652 83.853 1.00 78.67 C
223
+ ATOM 223 OD1 ASP A 32 -9.150 0.429 83.984 1.00 75.37 O
224
+ ATOM 224 OD2 ASP A 32 -7.796 2.150 84.154 1.00 79.57 O
225
+ ATOM 225 N CYS A 33 -13.172 2.765 82.421 1.00 73.49 N
226
+ ATOM 226 CA CYS A 33 -14.301 3.684 82.234 1.00 73.44 C
227
+ ATOM 227 C CYS A 33 -13.975 5.077 82.784 1.00 72.53 C
228
+ ATOM 228 O CYS A 33 -13.159 5.215 83.698 1.00 76.67 O
229
+ ATOM 229 CB CYS A 33 -15.577 3.114 82.867 1.00 78.54 C
230
+ ATOM 230 SG CYS A 33 -15.828 3.416 84.638 1.00 80.57 S
231
+ ATOM 231 N ASP A 34 -14.603 6.100 82.215 1.00 74.81 N
232
+ ATOM 232 CA ASP A 34 -14.304 7.487 82.581 1.00 80.24 C
233
+ ATOM 233 C ASP A 34 -15.184 8.049 83.707 1.00 80.29 C
234
+ ATOM 234 O ASP A 34 -14.794 9.010 84.379 1.00 84.74 O
235
+ ATOM 235 CB ASP A 34 -14.313 8.405 81.340 1.00 89.71 C
236
+ ATOM 236 CG ASP A 34 -15.566 8.241 80.476 1.00 96.94 C
237
+ ATOM 237 OD1 ASP A 34 -15.898 7.101 80.079 1.00 96.04 O
238
+ ATOM 238 OD2 ASP A 34 -16.208 9.269 80.170 1.00103.68 O
239
+ ATOM 239 N GLN A 35 -16.347 7.433 83.917 1.00 74.88 N
240
+ ATOM 240 CA GLN A 35 -17.317 7.892 84.916 1.00 72.60 C
241
+ ATOM 241 C GLN A 35 -17.755 6.771 85.852 1.00 69.08 C
242
+ ATOM 242 O GLN A 35 -17.855 5.621 85.433 1.00 67.31 O
243
+ ATOM 243 CB GLN A 35 -18.532 8.509 84.226 1.00 75.50 C
244
+ ATOM 244 CG GLN A 35 -18.300 9.931 83.733 1.00 80.89 C
245
+ ATOM 245 CD GLN A 35 -19.297 10.376 82.678 1.00 88.02 C
246
+ ATOM 246 OE1 GLN A 35 -20.394 9.824 82.555 1.00 91.96 O
247
+ ATOM 247 NE2 GLN A 35 -18.917 11.387 81.907 1.00 87.66 N
248
+ ATOM 248 N HIS A 36 -18.030 7.129 87.109 1.00 66.80 N
249
+ ATOM 249 CA HIS A 36 -18.369 6.174 88.177 1.00 69.18 C
250
+ ATOM 250 C HIS A 36 -19.538 5.245 87.824 1.00 67.12 C
251
+ ATOM 251 O HIS A 36 -20.563 5.693 87.298 1.00 67.36 O
252
+ ATOM 252 CB HIS A 36 -18.641 6.922 89.491 1.00 73.84 C
253
+ ATOM 253 CG HIS A 36 -18.787 6.028 90.685 1.00 75.85 C
254
+ ATOM 254 ND1 HIS A 36 -17.732 5.320 91.221 1.00 77.93 N
255
+ ATOM 255 CD2 HIS A 36 -19.863 5.735 91.452 1.00 75.08 C
256
+ ATOM 256 CE1 HIS A 36 -18.154 4.624 92.261 1.00 76.36 C
257
+ ATOM 257 NE2 HIS A 36 -19.444 4.859 92.423 1.00 74.72 N
258
+ ATOM 258 N ARG A 37 -19.339 3.954 88.103 1.00 62.66 N
259
+ ATOM 259 CA ARG A 37 -20.293 2.847 87.839 1.00 65.55 C
260
+ ATOM 260 C ARG A 37 -20.441 2.366 86.382 1.00 69.79 C
261
+ ATOM 261 O ARG A 37 -20.904 1.241 86.154 1.00 70.32 O
262
+ ATOM 262 CB ARG A 37 -21.663 3.085 88.495 1.00 66.03 C
263
+ ATOM 263 CG ARG A 37 -21.640 2.900 90.001 1.00 67.08 C
264
+ ATOM 264 CD ARG A 37 -23.006 3.121 90.617 1.00 66.58 C
265
+ ATOM 265 NE ARG A 37 -22.958 2.947 92.066 1.00 63.34 N
266
+ ATOM 266 CZ ARG A 37 -24.006 2.665 92.833 1.00 63.33 C
267
+ ATOM 267 NH1 ARG A 37 -25.214 2.516 92.306 1.00 64.41 N
268
+ ATOM 268 NH2 ARG A 37 -23.841 2.528 94.140 1.00 65.34 N
269
+ ATOM 269 N LYS A 38 -20.034 3.201 85.420 1.00 71.01 N
270
+ ATOM 270 CA LYS A 38 -20.080 2.879 83.982 1.00 73.51 C
271
+ ATOM 271 C LYS A 38 -19.236 1.656 83.591 1.00 75.81 C
272
+ ATOM 272 O LYS A 38 -18.299 1.279 84.303 1.00 80.98 O
273
+ ATOM 273 CB LYS A 38 -19.654 4.097 83.145 1.00 77.64 C
274
+ ATOM 274 CG LYS A 38 -20.787 4.987 82.642 1.00 80.83 C
275
+ ATOM 275 CD LYS A 38 -21.338 5.922 83.713 1.00 82.57 C
276
+ ATOM 276 CE LYS A 38 -22.221 7.008 83.115 1.00 86.05 C
277
+ ATOM 277 NZ LYS A 38 -23.414 6.485 82.388 1.00 89.98 N
278
+ ATOM 278 N ALA A 39 -19.587 1.042 82.460 1.00 73.42 N
279
+ ATOM 279 CA ALA A 39 -18.863 -0.116 81.929 1.00 71.28 C
280
+ ATOM 280 C ALA A 39 -17.511 0.289 81.355 1.00 69.39 C
281
+ ATOM 281 O ALA A 39 -17.387 1.343 80.722 1.00 70.61 O
282
+ ATOM 282 CB ALA A 39 -19.696 -0.828 80.872 1.00 68.65 C
283
+ ATOM 283 N ALA A 40 -16.503 -0.548 81.593 1.00 63.47 N
284
+ ATOM 284 CA ALA A 40 -15.183 -0.365 80.998 1.00 63.02 C
285
+ ATOM 285 C ALA A 40 -15.215 -0.770 79.525 1.00 64.94 C
286
+ ATOM 286 O ALA A 40 -16.055 -1.580 79.117 1.00 64.25 O
287
+ ATOM 287 CB ALA A 40 -14.149 -1.176 81.754 1.00 62.51 C
288
+ ATOM 288 N GLN A 41 -14.312 -0.192 78.732 1.00 66.85 N
289
+ ATOM 289 CA GLN A 41 -14.199 -0.521 77.308 1.00 65.39 C
290
+ ATOM 290 C GLN A 41 -13.577 -1.901 77.129 1.00 62.72 C
291
+ ATOM 291 O GLN A 41 -12.387 -2.104 77.403 1.00 63.35 O
292
+ ATOM 292 CB GLN A 41 -13.403 0.548 76.550 1.00 69.04 C
293
+ ATOM 293 CG GLN A 41 -14.148 1.865 76.361 1.00 75.68 C
294
+ ATOM 294 CD GLN A 41 -13.737 2.624 75.106 1.00 82.05 C
295
+ ATOM 295 OE1 GLN A 41 -12.687 2.365 74.510 1.00 82.72 O
296
+ ATOM 296 NE2 GLN A 41 -14.572 3.574 74.701 1.00 82.20 N
297
+ ATOM 297 N CYS A 42 -14.404 -2.850 76.696 1.00 60.66 N
298
+ ATOM 298 CA CYS A 42 -13.980 -4.237 76.527 1.00 65.81 C
299
+ ATOM 299 C CYS A 42 -14.268 -4.739 75.113 1.00 68.35 C
300
+ ATOM 300 O CYS A 42 -15.397 -4.637 74.621 1.00 73.43 O
301
+ ATOM 301 CB CYS A 42 -14.634 -5.153 77.576 1.00 71.14 C
302
+ ATOM 302 SG CYS A 42 -14.642 -4.516 79.275 1.00 84.31 S
303
+ ATOM 303 N ASP A 43 -13.224 -5.261 74.470 1.00 65.03 N
304
+ ATOM 304 CA ASP A 43 -13.303 -5.864 73.137 1.00 59.27 C
305
+ ATOM 305 C ASP A 43 -13.277 -7.387 73.276 1.00 54.42 C
306
+ ATOM 306 O ASP A 43 -12.672 -7.885 74.221 1.00 55.01 O
307
+ ATOM 307 CB ASP A 43 -12.117 -5.404 72.280 1.00 60.21 C
308
+ ATOM 308 CG ASP A 43 -12.199 -3.936 71.883 1.00 64.76 C
309
+ ATOM 309 OD1 ASP A 43 -13.116 -3.211 72.332 1.00 73.00 O
310
+ ATOM 310 OD2 ASP A 43 -11.325 -3.500 71.109 1.00 66.92 O
311
+ ATOM 311 N PRO A 44 -13.918 -8.131 72.338 1.00 50.72 N
312
+ ATOM 312 CA PRO A 44 -13.943 -9.601 72.452 1.00 50.61 C
313
+ ATOM 313 C PRO A 44 -12.616 -10.303 72.130 1.00 53.90 C
314
+ ATOM 314 O PRO A 44 -11.744 -9.723 71.475 1.00 56.86 O
315
+ ATOM 315 CB PRO A 44 -15.015 -10.014 71.435 1.00 46.06 C
316
+ ATOM 316 CG PRO A 44 -15.007 -8.930 70.423 1.00 43.48 C
317
+ ATOM 317 CD PRO A 44 -14.722 -7.668 71.187 1.00 46.56 C
318
+ ATOM 318 N CYS A 45 -12.494 -11.549 72.595 1.00 56.77 N
319
+ ATOM 319 CA CYS A 45 -11.370 -12.432 72.277 1.00 56.06 C
320
+ ATOM 320 C CYS A 45 -11.545 -13.014 70.869 1.00 55.18 C
321
+ ATOM 321 O CYS A 45 -12.483 -12.652 70.152 1.00 56.09 O
322
+ ATOM 322 CB CYS A 45 -11.255 -13.564 73.313 1.00 61.54 C
323
+ ATOM 323 SG CYS A 45 -11.107 -13.071 75.053 1.00 70.53 S
324
+ ATOM 324 N ILE A 46 -10.644 -13.913 70.478 1.00 52.94 N
325
+ ATOM 325 CA ILE A 46 -10.674 -14.503 69.143 1.00 54.42 C
326
+ ATOM 326 C ILE A 46 -11.227 -15.931 69.218 1.00 55.76 C
327
+ ATOM 327 O ILE A 46 -10.640 -16.781 69.900 1.00 54.21 O
328
+ ATOM 328 CB ILE A 46 -9.293 -14.462 68.440 1.00 55.35 C
329
+ ATOM 329 CG1 ILE A 46 -8.573 -13.127 68.697 1.00 55.07 C
330
+ ATOM 330 CG2 ILE A 46 -9.454 -14.711 66.940 1.00 55.09 C
331
+ ATOM 331 CD1 ILE A 46 -7.059 -13.215 68.675 1.00 57.07 C
332
+ ATOM 332 N PRO A 47 -12.367 -16.191 68.530 1.00 55.81 N
333
+ ATOM 333 CA PRO A 47 -13.042 -17.499 68.557 1.00 53.93 C
334
+ ATOM 334 C PRO A 47 -12.131 -18.645 68.128 1.00 57.44 C
335
+ ATOM 335 O PRO A 47 -11.592 -18.628 67.019 1.00 59.87 O
336
+ ATOM 336 CB PRO A 47 -14.188 -17.326 67.560 1.00 51.48 C
337
+ ATOM 337 CG PRO A 47 -14.463 -15.868 67.560 1.00 53.51 C
338
+ ATOM 338 CD PRO A 47 -13.133 -15.205 67.741 1.00 53.85 C
339
+ ATOM 339 N GLY A 48 -11.950 -19.614 69.025 1.00 58.74 N
340
+ ATOM 340 CA GLY A 48 -11.071 -20.760 68.785 1.00 60.17 C
341
+ ATOM 341 C GLY A 48 -9.582 -20.454 68.835 1.00 63.07 C
342
+ ATOM 342 O GLY A 48 -8.758 -21.331 68.545 1.00 67.03 O
343
+ ATOM 343 N VAL A 49 -9.238 -19.216 69.202 1.00 59.90 N
344
+ ATOM 344 CA VAL A 49 -7.843 -18.760 69.308 1.00 58.34 C
345
+ ATOM 345 C VAL A 49 -7.540 -18.304 70.745 1.00 59.43 C
346
+ ATOM 346 O VAL A 49 -6.548 -18.742 71.340 1.00 64.02 O
347
+ ATOM 347 CB VAL A 49 -7.502 -17.652 68.265 1.00 54.52 C
348
+ ATOM 348 CG1 VAL A 49 -6.089 -17.112 68.452 1.00 51.39 C
349
+ ATOM 349 CG2 VAL A 49 -7.679 -18.159 66.838 1.00 51.04 C
350
+ ATOM 350 N SER A 50 -8.403 -17.449 71.297 1.00 57.65 N
351
+ ATOM 351 CA SER A 50 -8.272 -16.972 72.680 1.00 59.47 C
352
+ ATOM 352 C SER A 50 -9.610 -16.922 73.442 1.00 61.00 C
353
+ ATOM 353 O SER A 50 -10.686 -16.944 72.832 1.00 62.05 O
354
+ ATOM 354 CB SER A 50 -7.543 -15.621 72.726 1.00 56.33 C
355
+ ATOM 355 OG SER A 50 -8.107 -14.691 71.820 1.00 57.51 O
356
+ ATOM 356 N PHE A 51 -9.523 -16.865 74.774 1.00 59.58 N
357
+ ATOM 357 CA PHE A 51 -10.688 -16.943 75.664 1.00 60.35 C
358
+ ATOM 358 C PHE A 51 -10.477 -16.210 76.995 1.00 60.89 C
359
+ ATOM 359 O PHE A 51 -9.338 -16.013 77.438 1.00 58.62 O
360
+ ATOM 360 CB PHE A 51 -11.048 -18.418 75.938 1.00 63.51 C
361
+ ATOM 361 CG PHE A 51 -10.193 -19.072 76.999 1.00 69.46 C
362
+ ATOM 362 CD1 PHE A 51 -8.884 -19.483 76.714 1.00 71.21 C
363
+ ATOM 363 CD2 PHE A 51 -10.690 -19.274 78.291 1.00 68.48 C
364
+ ATOM 364 CE1 PHE A 51 -8.088 -20.068 77.694 1.00 70.59 C
365
+ ATOM 365 CE2 PHE A 51 -9.900 -19.865 79.272 1.00 71.27 C
366
+ ATOM 366 CZ PHE A 51 -8.598 -20.264 78.973 1.00 70.68 C
367
+ ATOM 367 N SER A 52 -11.587 -15.832 77.632 1.00 62.17 N
368
+ ATOM 368 CA SER A 52 -11.590 -15.360 79.021 1.00 64.52 C
369
+ ATOM 369 C SER A 52 -12.853 -15.861 79.736 1.00 71.14 C
370
+ ATOM 370 O SER A 52 -13.969 -15.554 79.294 1.00 75.50 O
371
+ ATOM 371 CB SER A 52 -11.481 -13.835 79.092 1.00 61.06 C
372
+ ATOM 372 OG SER A 52 -12.572 -13.211 78.437 1.00 61.93 O
373
+ ATOM 373 N PRO A 53 -12.686 -16.639 80.833 1.00 74.27 N
374
+ ATOM 374 CA PRO A 53 -13.854 -17.278 81.463 1.00 76.83 C
375
+ ATOM 375 C PRO A 53 -14.646 -16.402 82.442 1.00 80.53 C
376
+ ATOM 376 O PRO A 53 -15.863 -16.574 82.567 1.00 78.26 O
377
+ ATOM 377 CB PRO A 53 -13.247 -18.489 82.182 1.00 72.89 C
378
+ ATOM 378 CG PRO A 53 -11.824 -18.119 82.446 1.00 73.92 C
379
+ ATOM 379 CD PRO A 53 -11.429 -16.993 81.526 1.00 73.93 C
380
+ ATOM 380 N ASP A 54 -13.961 -15.465 83.097 1.00 82.91 N
381
+ ATOM 381 CA ASP A 54 -14.508 -14.717 84.231 1.00 81.57 C
382
+ ATOM 382 C ASP A 54 -14.461 -13.202 84.046 1.00 78.09 C
383
+ ATOM 383 O ASP A 54 -13.706 -12.696 83.210 1.00 78.22 O
384
+ ATOM 384 CB ASP A 54 -13.770 -15.114 85.522 1.00 89.37 C
385
+ ATOM 385 CG ASP A 54 -12.247 -15.165 85.352 1.00 90.86 C
386
+ ATOM 386 OD1 ASP A 54 -11.627 -14.123 85.043 1.00 94.04 O
387
+ ATOM 387 OD2 ASP A 54 -11.671 -16.257 85.544 1.00 88.13 O
388
+ ATOM 388 N HIS A 55 -15.279 -12.495 84.832 1.00 77.15 N
389
+ ATOM 389 CA HIS A 55 -15.248 -11.031 84.935 1.00 71.59 C
390
+ ATOM 390 C HIS A 55 -13.898 -10.597 85.510 1.00 71.94 C
391
+ ATOM 391 O HIS A 55 -13.529 -11.011 86.614 1.00 75.47 O
392
+ ATOM 392 CB HIS A 55 -16.400 -10.523 85.811 1.00 64.94 C
393
+ ATOM 393 CG HIS A 55 -17.761 -10.763 85.230 1.00 63.45 C
394
+ ATOM 394 ND1 HIS A 55 -18.383 -11.993 85.271 1.00 63.28 N
395
+ ATOM 395 CD2 HIS A 55 -18.623 -9.927 84.604 1.00 63.82 C
396
+ ATOM 396 CE1 HIS A 55 -19.569 -11.905 84.693 1.00 63.81 C
397
+ ATOM 397 NE2 HIS A 55 -19.738 -10.662 84.278 1.00 63.90 N
398
+ ATOM 398 N HIS A 56 -13.164 -9.778 84.755 1.00 71.26 N
399
+ ATOM 399 CA HIS A 56 -11.745 -9.520 85.046 1.00 74.17 C
400
+ ATOM 400 C HIS A 56 -11.220 -8.144 84.603 1.00 72.60 C
401
+ ATOM 401 O HIS A 56 -11.938 -7.357 83.974 1.00 71.93 O
402
+ ATOM 402 CB HIS A 56 -10.886 -10.631 84.425 1.00 78.19 C
403
+ ATOM 403 CG HIS A 56 -10.835 -10.581 82.931 1.00 85.44 C
404
+ ATOM 404 ND1 HIS A 56 -11.921 -10.882 82.138 1.00 89.21 N
405
+ ATOM 405 CD2 HIS A 56 -9.835 -10.243 82.086 1.00 83.14 C
406
+ ATOM 406 CE1 HIS A 56 -11.589 -10.740 80.869 1.00 89.57 C
407
+ ATOM 407 NE2 HIS A 56 -10.327 -10.355 80.810 1.00 88.98 N
408
+ ATOM 408 N THR A 57 -9.954 -7.885 84.932 1.00 71.84 N
409
+ ATOM 409 CA THR A 57 -9.283 -6.615 84.634 1.00 78.33 C
410
+ ATOM 410 C THR A 57 -8.044 -6.760 83.714 1.00 75.37 C
411
+ ATOM 411 O THR A 57 -7.309 -5.790 83.495 1.00 74.60 O
412
+ ATOM 412 CB THR A 57 -8.948 -5.840 85.943 1.00 83.65 C
413
+ ATOM 413 OG1 THR A 57 -8.595 -4.487 85.631 1.00 94.20 O
414
+ ATOM 414 CG2 THR A 57 -7.804 -6.497 86.740 1.00 80.73 C
415
+ ATOM 415 N ARG A 58 -7.837 -7.964 83.174 1.00 74.26 N
416
+ ATOM 416 CA ARG A 58 -6.662 -8.291 82.346 1.00 75.21 C
417
+ ATOM 417 C ARG A 58 -6.683 -7.592 80.971 1.00 75.92 C
418
+ ATOM 418 O ARG A 58 -7.748 -7.491 80.351 1.00 70.52 O
419
+ ATOM 419 CB ARG A 58 -6.512 -9.813 82.183 1.00 76.29 C
420
+ ATOM 420 CG ARG A 58 -6.138 -10.547 83.466 1.00 81.71 C
421
+ ATOM 421 CD ARG A 58 -6.245 -12.063 83.340 1.00 84.83 C
422
+ ATOM 422 NE ARG A 58 -7.616 -12.552 83.519 1.00 88.76 N
423
+ ATOM 423 CZ ARG A 58 -8.303 -13.264 82.624 1.00 91.99 C
424
+ ATOM 424 NH1 ARG A 58 -7.766 -13.604 81.455 1.00 88.23 N
425
+ ATOM 425 NH2 ARG A 58 -9.542 -13.647 82.905 1.00 93.63 N
426
+ ATOM 426 N PRO A 59 -5.506 -7.111 80.492 1.00 77.77 N
427
+ ATOM 427 CA PRO A 59 -5.459 -6.381 79.217 1.00 74.22 C
428
+ ATOM 428 C PRO A 59 -5.506 -7.283 77.979 1.00 73.62 C
429
+ ATOM 429 O PRO A 59 -5.550 -6.777 76.857 1.00 79.03 O
430
+ ATOM 430 CB PRO A 59 -4.120 -5.642 79.290 1.00 73.71 C
431
+ ATOM 431 CG PRO A 59 -3.255 -6.532 80.116 1.00 75.36 C
432
+ ATOM 432 CD PRO A 59 -4.160 -7.226 81.099 1.00 75.72 C
433
+ ATOM 433 N HIS A 60 -5.484 -8.600 78.193 1.00 70.90 N
434
+ ATOM 434 CA HIS A 60 -5.550 -9.588 77.116 1.00 75.77 C
435
+ ATOM 435 C HIS A 60 -6.211 -10.884 77.579 1.00 71.87 C
436
+ ATOM 436 O HIS A 60 -6.311 -11.147 78.783 1.00 72.42 O
437
+ ATOM 437 CB HIS A 60 -4.152 -9.877 76.536 1.00 91.36 C
438
+ ATOM 438 CG HIS A 60 -3.157 -10.374 77.544 1.00103.72 C
439
+ ATOM 439 ND1 HIS A 60 -2.014 -9.675 77.865 1.00108.21 N
440
+ ATOM 440 CD2 HIS A 60 -3.130 -11.502 78.295 1.00106.03 C
441
+ ATOM 441 CE1 HIS A 60 -1.328 -10.347 78.772 1.00112.23 C
442
+ ATOM 442 NE2 HIS A 60 -1.985 -11.458 79.052 1.00111.23 N
443
+ ATOM 443 N CYS A 61 -6.646 -11.686 76.610 1.00 67.84 N
444
+ ATOM 444 CA CYS A 61 -7.232 -12.999 76.863 1.00 65.89 C
445
+ ATOM 445 C CYS A 61 -6.136 -14.050 77.050 1.00 71.40 C
446
+ ATOM 446 O CYS A 61 -4.956 -13.791 76.778 1.00 76.22 O
447
+ ATOM 447 CB CYS A 61 -8.148 -13.400 75.702 1.00 62.41 C
448
+ ATOM 448 SG CYS A 61 -9.310 -12.121 75.182 1.00 68.73 S
449
+ ATOM 449 N GLU A 62 -6.531 -15.226 77.536 1.00 69.78 N
450
+ ATOM 450 CA GLU A 62 -5.668 -16.400 77.539 1.00 67.25 C
451
+ ATOM 451 C GLU A 62 -5.905 -17.153 76.233 1.00 62.95 C
452
+ ATOM 452 O GLU A 62 -7.044 -17.274 75.786 1.00 57.34 O
453
+ ATOM 453 CB GLU A 62 -5.960 -17.285 78.757 1.00 74.16 C
454
+ ATOM 454 CG GLU A 62 -4.968 -18.430 78.955 1.00 91.61 C
455
+ ATOM 455 CD GLU A 62 -5.064 -19.113 80.314 1.00103.55 C
456
+ ATOM 456 OE1 GLU A 62 -6.165 -19.161 80.909 1.00108.97 O
457
+ ATOM 457 OE2 GLU A 62 -4.022 -19.621 80.787 1.00103.16 O
458
+ ATOM 458 N SER A 63 -4.826 -17.633 75.617 1.00 63.48 N
459
+ ATOM 459 CA SER A 63 -4.914 -18.361 74.348 1.00 64.25 C
460
+ ATOM 460 C SER A 63 -5.335 -19.818 74.551 1.00 65.37 C
461
+ ATOM 461 O SER A 63 -4.967 -20.443 75.553 1.00 61.44 O
462
+ ATOM 462 CB SER A 63 -3.603 -18.257 73.554 1.00 66.93 C
463
+ ATOM 463 OG SER A 63 -2.477 -18.619 74.334 1.00 67.44 O
464
+ ATOM 464 N CYS A 64 -6.102 -20.341 73.590 1.00 68.12 N
465
+ ATOM 465 CA CYS A 64 -6.695 -21.684 73.666 1.00 67.76 C
466
+ ATOM 466 C CYS A 64 -5.663 -22.810 73.714 1.00 67.22 C
467
+ ATOM 467 O CYS A 64 -4.530 -22.656 73.254 1.00 71.85 O
468
+ ATOM 468 CB CYS A 64 -7.670 -21.925 72.503 1.00 74.05 C
469
+ ATOM 469 SG CYS A 64 -9.027 -20.734 72.364 1.00 86.51 S
470
+ ATOM 470 N ARG A 65 -6.082 -23.932 74.294 1.00 68.51 N
471
+ ATOM 471 CA ARG A 65 -5.303 -25.164 74.367 1.00 66.79 C
472
+ ATOM 472 C ARG A 65 -5.404 -25.924 73.037 1.00 68.79 C
473
+ ATOM 473 O ARG A 65 -6.454 -25.899 72.381 1.00 67.09 O
474
+ ATOM 474 CB ARG A 65 -5.844 -26.002 75.529 1.00 65.94 C
475
+ ATOM 475 CG ARG A 65 -5.113 -27.294 75.874 1.00 62.09 C
476
+ ATOM 476 CD ARG A 65 -5.469 -27.740 77.286 1.00 61.70 C
477
+ ATOM 477 NE ARG A 65 -6.899 -27.584 77.579 1.00 63.65 N
478
+ ATOM 478 CZ ARG A 65 -7.412 -27.264 78.769 1.00 63.04 C
479
+ ATOM 479 NH1 ARG A 65 -6.624 -27.054 79.822 1.00 62.50 N
480
+ ATOM 480 NH2 ARG A 65 -8.728 -27.147 78.907 1.00 57.74 N
481
+ ATOM 481 N HIS A 66 -4.306 -26.580 72.653 1.00 69.85 N
482
+ ATOM 482 CA HIS A 66 -4.215 -27.371 71.415 1.00 72.86 C
483
+ ATOM 483 C HIS A 66 -3.967 -28.852 71.744 1.00 72.77 C
484
+ ATOM 484 O HIS A 66 -3.384 -29.170 72.787 1.00 75.30 O
485
+ ATOM 485 CB HIS A 66 -3.112 -26.797 70.511 1.00 77.96 C
486
+ ATOM 486 CG HIS A 66 -3.039 -27.419 69.147 1.00 90.40 C
487
+ ATOM 487 ND1 HIS A 66 -4.074 -27.356 68.237 1.00 94.07 N
488
+ ATOM 488 CD2 HIS A 66 -2.040 -28.096 68.532 1.00 90.38 C
489
+ ATOM 489 CE1 HIS A 66 -3.721 -27.980 67.127 1.00 94.03 C
490
+ ATOM 490 NE2 HIS A 66 -2.491 -28.437 67.279 1.00 93.75 N
491
+ ATOM 491 N CYS A 67 -4.416 -29.749 70.864 1.00 71.91 N
492
+ ATOM 492 CA CYS A 67 -4.340 -31.182 71.124 1.00 75.36 C
493
+ ATOM 493 C CYS A 67 -3.234 -31.833 70.304 1.00 76.35 C
494
+ ATOM 494 O CYS A 67 -3.455 -32.844 69.638 1.00 74.50 O
495
+ ATOM 495 CB CYS A 67 -5.692 -31.872 70.875 1.00 77.86 C
496
+ ATOM 496 SG CYS A 67 -7.172 -30.907 71.286 1.00 79.89 S
497
+ ATOM 497 N ASN A 68 -2.031 -31.282 70.387 0.01 0.00 N
498
+ ATOM 498 CA ASN A 68 -0.860 -31.865 69.750 0.01 0.00 C
499
+ ATOM 499 C ASN A 68 -1.172 -32.258 68.301 0.01 0.00 C
500
+ ATOM 500 O ASN A 68 -1.475 -31.410 67.463 0.01 0.00 O
501
+ ATOM 501 CB ASN A 68 -0.352 -33.023 70.586 0.01 0.00 C
502
+ ATOM 502 CG ASN A 68 0.083 -32.556 71.956 0.01 0.00 C
503
+ ATOM 503 OD1 ASN A 68 0.489 -31.400 72.143 0.01 0.00 O
504
+ ATOM 504 ND2 ASN A 68 0.008 -33.441 72.922 0.01 0.00 N
505
+ ATOM 505 N SER A 69 -1.055 -33.560 68.011 0.01 0.00 N
506
+ ATOM 506 CA SER A 69 -1.288 -34.150 66.704 0.01 0.00 C
507
+ ATOM 507 C SER A 69 -2.497 -35.091 66.757 0.01 0.00 C
508
+ ATOM 508 O SER A 69 -2.684 -35.941 65.879 0.01 0.00 O
509
+ ATOM 509 CB SER A 69 -0.056 -34.906 66.253 0.01 0.00 C
510
+ ATOM 510 OG SER A 69 0.265 -35.927 67.167 0.01 0.00 O
511
+ ATOM 511 N GLY A 70 -3.274 -34.971 67.833 0.01 0.00 N
512
+ ATOM 512 CA GLY A 70 -4.433 -35.807 68.114 0.01 0.00 C
513
+ ATOM 513 C GLY A 70 -5.760 -35.106 67.847 0.01 0.00 C
514
+ ATOM 514 O GLY A 70 -5.877 -34.273 66.944 0.01 0.00 O
515
+ ATOM 515 N LEU A 71 -6.787 -35.485 68.608 0.01 0.00 N
516
+ ATOM 516 CA LEU A 71 -8.123 -34.954 68.384 0.01 0.00 C
517
+ ATOM 517 C LEU A 71 -8.642 -34.038 69.481 0.01 0.00 C
518
+ ATOM 518 O LEU A 71 -8.365 -34.226 70.660 0.01 0.00 O
519
+ ATOM 519 CB LEU A 71 -9.099 -36.117 68.221 0.01 0.00 C
520
+ ATOM 520 CG LEU A 71 -8.765 -37.137 67.105 0.01 0.00 C
521
+ ATOM 521 CD1 LEU A 71 -9.776 -38.260 67.161 0.01 0.00 C
522
+ ATOM 522 CD2 LEU A 71 -8.779 -36.465 65.723 0.01 0.00 C
523
+ ATOM 523 N LEU A 72 -9.463 -33.091 69.047 0.01 0.00 N
524
+ ATOM 524 CA LEU A 72 -10.177 -32.105 69.850 0.01 0.00 C
525
+ ATOM 525 C LEU A 72 -11.553 -32.586 70.203 0.01 0.00 C
526
+ ATOM 526 O LEU A 72 -12.341 -32.859 69.295 0.01 0.00 O
527
+ ATOM 527 CB LEU A 72 -10.284 -30.837 68.996 0.01 0.00 C
528
+ ATOM 528 CG LEU A 72 -11.093 -29.682 69.524 0.01 0.00 C
529
+ ATOM 529 CD1 LEU A 72 -10.489 -29.160 70.736 0.01 0.00 C
530
+ ATOM 530 CD2 LEU A 72 -11.154 -28.603 68.459 0.01 0.00 C
531
+ ATOM 531 N VAL A 73 -11.898 -32.679 71.499 1.00 75.32 N
532
+ ATOM 532 CA VAL A 73 -13.210 -33.251 71.773 1.00 81.12 C
533
+ ATOM 533 C VAL A 73 -14.248 -32.161 72.009 1.00 83.08 C
534
+ ATOM 534 O VAL A 73 -15.435 -32.352 71.744 1.00 79.62 O
535
+ ATOM 535 CB VAL A 73 -13.159 -34.281 72.937 1.00 84.49 C
536
+ ATOM 536 CG1 VAL A 73 -14.544 -34.818 73.278 1.00 83.69 C
537
+ ATOM 537 CG2 VAL A 73 -12.224 -35.433 72.590 1.00 87.95 C
538
+ ATOM 538 N ARG A 74 -13.793 -31.017 72.510 1.00 87.71 N
539
+ ATOM 539 CA ARG A 74 -14.651 -29.850 72.737 1.00 86.95 C
540
+ ATOM 540 C ARG A 74 -13.969 -28.566 72.274 1.00 84.33 C
541
+ ATOM 541 O ARG A 74 -12.840 -28.281 72.677 1.00 78.02 O
542
+ ATOM 542 CB ARG A 74 -15.070 -29.745 74.204 1.00 86.54 C
543
+ ATOM 543 CG ARG A 74 -16.538 -30.066 74.436 1.00 92.71 C
544
+ ATOM 544 CD ARG A 74 -17.049 -29.523 75.765 1.00 97.46 C
545
+ ATOM 545 NE ARG A 74 -16.828 -28.080 75.920 1.00 98.44 N
546
+ ATOM 546 CZ ARG A 74 -17.344 -27.326 76.891 1.00 96.45 C
547
+ ATOM 547 NH1 ARG A 74 -18.140 -27.853 77.818 1.00 91.71 N
548
+ ATOM 548 NH2 ARG A 74 -17.066 -26.028 76.930 1.00 88.48 N
549
+ ATOM 549 N ASN A 75 -14.671 -27.808 71.427 1.00 85.24 N
550
+ ATOM 550 CA ASN A 75 -14.154 -26.584 70.792 1.00 87.76 C
551
+ ATOM 551 C ASN A 75 -13.802 -25.477 71.784 1.00 87.13 C
552
+ ATOM 552 O ASN A 75 -14.418 -25.376 72.850 1.00 92.85 O
553
+ ATOM 553 CB ASN A 75 -15.192 -25.999 69.832 1.00 93.67 C
554
+ ATOM 554 CG ASN A 75 -15.670 -26.979 68.777 1.00103.47 C
555
+ ATOM 555 OD1 ASN A 75 -16.865 -27.289 68.723 1.00110.32 O
556
+ ATOM 556 ND2 ASN A 75 -14.757 -27.459 67.921 1.00100.91 N
557
+ ATOM 557 N CYS A 76 -12.826 -24.643 71.420 1.00 78.67 N
558
+ ATOM 558 CA CYS A 76 -12.553 -23.415 72.160 1.00 77.30 C
559
+ ATOM 559 C CYS A 76 -13.516 -22.321 71.710 1.00 76.29 C
560
+ ATOM 560 O CYS A 76 -13.684 -22.083 70.510 1.00 83.23 O
561
+ ATOM 561 CB CYS A 76 -11.100 -22.949 71.990 1.00 82.98 C
562
+ ATOM 562 SG CYS A 76 -10.634 -21.660 73.178 1.00 83.87 S
563
+ ATOM 563 N THR A 77 -14.159 -21.686 72.685 1.00 73.16 N
564
+ ATOM 564 CA THR A 77 -15.009 -20.515 72.457 1.00 71.92 C
565
+ ATOM 565 C THR A 77 -14.343 -19.337 73.156 1.00 70.00 C
566
+ ATOM 566 O THR A 77 -13.376 -19.526 73.897 1.00 73.10 O
567
+ ATOM 567 CB THR A 77 -16.438 -20.712 73.015 1.00 72.95 C
568
+ ATOM 568 OG1 THR A 77 -16.746 -22.108 73.101 1.00 77.34 O
569
+ ATOM 569 CG2 THR A 77 -17.470 -20.022 72.124 1.00 70.75 C
570
+ ATOM 570 N ILE A 78 -14.849 -18.129 72.922 1.00 69.55 N
571
+ ATOM 571 CA ILE A 78 -14.348 -16.926 73.600 1.00 71.42 C
572
+ ATOM 572 C ILE A 78 -14.510 -16.970 75.134 1.00 77.21 C
573
+ ATOM 573 O ILE A 78 -13.788 -16.275 75.854 1.00 77.76 O
574
+ ATOM 574 CB ILE A 78 -14.939 -15.614 73.010 1.00 67.52 C
575
+ ATOM 575 CG1 ILE A 78 -16.476 -15.669 72.930 1.00 64.32 C
576
+ ATOM 576 CG2 ILE A 78 -14.316 -15.322 71.647 1.00 65.29 C
577
+ ATOM 577 CD1 ILE A 78 -17.164 -14.326 73.082 1.00 60.12 C
578
+ ATOM 578 N THR A 79 -15.430 -17.812 75.615 1.00 79.54 N
579
+ ATOM 579 CA THR A 79 -15.710 -17.962 77.056 1.00 83.31 C
580
+ ATOM 580 C THR A 79 -15.051 -19.180 77.724 1.00 83.22 C
581
+ ATOM 581 O THR A 79 -14.639 -19.097 78.884 1.00 84.33 O
582
+ ATOM 582 CB THR A 79 -17.227 -17.971 77.357 1.00 83.11 C
583
+ ATOM 583 OG1 THR A 79 -17.896 -18.850 76.443 1.00 84.65 O
584
+ ATOM 584 CG2 THR A 79 -17.816 -16.559 77.246 1.00 77.99 C
585
+ ATOM 585 N ALA A 80 -14.963 -20.300 77.003 1.00 79.41 N
586
+ ATOM 586 CA ALA A 80 -14.331 -21.522 77.523 1.00 76.62 C
587
+ ATOM 587 C ALA A 80 -13.310 -22.091 76.541 1.00 75.83 C
588
+ ATOM 588 O ALA A 80 -13.571 -22.144 75.334 1.00 73.66 O
589
+ ATOM 589 CB ALA A 80 -15.385 -22.569 77.861 1.00 72.84 C
590
+ ATOM 590 N ASN A 81 -12.154 -22.515 77.055 1.00 74.47 N
591
+ ATOM 591 CA ASN A 81 -11.130 -23.116 76.189 1.00 80.75 C
592
+ ATOM 592 C ASN A 81 -11.408 -24.563 75.820 1.00 76.98 C
593
+ ATOM 593 O ASN A 81 -12.306 -25.194 76.377 1.00 78.69 O
594
+ ATOM 594 CB ASN A 81 -9.698 -22.933 76.719 1.00 84.04 C
595
+ ATOM 595 CG ASN A 81 -9.490 -23.509 78.101 1.00 84.47 C
596
+ ATOM 596 OD1 ASN A 81 -10.358 -23.420 78.971 1.00 89.58 O
597
+ ATOM 597 ND2 ASN A 81 -8.309 -24.075 78.322 1.00 83.06 N
598
+ ATOM 598 N ALA A 82 -10.628 -25.060 74.861 1.00 76.38 N
599
+ ATOM 599 CA ALA A 82 -10.772 -26.402 74.308 1.00 77.42 C
600
+ ATOM 600 C ALA A 82 -10.541 -27.512 75.335 1.00 77.30 C
601
+ ATOM 601 O ALA A 82 -9.822 -27.324 76.322 1.00 78.93 O
602
+ ATOM 602 CB ALA A 82 -9.837 -26.576 73.118 1.00 77.55 C
603
+ ATOM 603 N GLU A 83 -11.176 -28.657 75.090 1.00 76.54 N
604
+ ATOM 604 CA GLU A 83 -10.979 -29.869 75.883 1.00 79.50 C
605
+ ATOM 605 C GLU A 83 -10.641 -31.019 74.936 1.00 77.60 C
606
+ ATOM 606 O GLU A 83 -11.371 -31.268 73.970 1.00 76.50 O
607
+ ATOM 607 CB GLU A 83 -12.227 -30.180 76.716 1.00 86.97 C
608
+ ATOM 608 CG GLU A 83 -12.469 -29.206 77.865 1.00 95.23 C
609
+ ATOM 609 CD GLU A 83 -13.943 -28.951 78.143 1.00104.02 C
610
+ ATOM 610 OE1 GLU A 83 -14.695 -29.922 78.389 1.00112.46 O
611
+ ATOM 611 OE2 GLU A 83 -14.350 -27.769 78.128 1.00100.52 O
612
+ ATOM 612 N CYS A 84 -9.529 -31.700 75.214 1.00 76.36 N
613
+ ATOM 613 CA CYS A 84 -8.973 -32.717 74.312 1.00 76.53 C
614
+ ATOM 614 C CYS A 84 -9.288 -34.139 74.768 1.00 73.60 C
615
+ ATOM 615 O CYS A 84 -9.038 -34.505 75.916 1.00 73.11 O
616
+ ATOM 616 OXT CYS A 84 -9.786 -34.918 74.003 1.00 0.00 O
617
+ ATOM 617 CB CYS A 84 -7.457 -32.535 74.164 1.00 77.05 C
618
+ ATOM 618 SG CYS A 84 -6.928 -30.861 73.722 1.00 74.76 S
619
+ TER 619 CYS A 84
620
+ END
sabdab_v0.5.2_diffab_chothia/raw_pdbs/12351_5w9h_A.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/12351_5w9h_BC.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/12351_5w9h_BC_A.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/13466_7che_AB.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/13466_7che_AB_R.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/13466_7che_R.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/14162_5tlk_DC.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/14162_5tlk_DC_X.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/14162_5tlk_X.pdb ADDED
@@ -0,0 +1,620 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N LYS A 5 35.781 -28.197 27.257 1.00 68.29 N
2
+ ATOM 2 CA LYS A 5 36.701 -28.418 28.408 1.00 70.53 C
3
+ ATOM 3 C LYS A 5 36.902 -27.114 29.185 1.00 71.33 C
4
+ ATOM 4 O LYS A 5 37.590 -26.195 28.723 1.00 70.89 O
5
+ ATOM 5 CB LYS A 5 38.040 -28.976 27.918 1.00 73.07 C
6
+ ATOM 6 CG LYS A 5 38.940 -29.538 29.013 1.00 77.24 C
7
+ ATOM 7 CD LYS A 5 40.367 -29.754 28.519 1.00 80.96 C
8
+ ATOM 8 CE LYS A 5 40.498 -31.004 27.658 1.00 82.07 C
9
+ ATOM 9 NZ LYS A 5 41.879 -31.183 27.133 1.00 84.30 N
10
+ ATOM 10 N SER A 6 36.296 -27.053 30.368 1.00 69.55 N
11
+ ATOM 11 CA SER A 6 36.275 -25.840 31.190 1.00 65.61 C
12
+ ATOM 12 C SER A 6 37.461 -25.695 32.142 1.00 59.09 C
13
+ ATOM 13 O SER A 6 37.983 -24.594 32.319 1.00 57.87 O
14
+ ATOM 14 CB SER A 6 34.965 -25.755 31.980 1.00 68.85 C
15
+ ATOM 15 OG SER A 6 34.835 -26.835 32.886 1.00 78.25 O
16
+ ATOM 16 N CYS A 7 37.869 -26.805 32.753 1.00 57.53 N
17
+ ATOM 17 CA CYS A 7 38.868 -26.798 33.820 1.00 58.57 C
18
+ ATOM 18 C CYS A 7 39.883 -27.933 33.649 1.00 55.13 C
19
+ ATOM 19 O CYS A 7 39.674 -28.809 32.804 1.00 52.67 O
20
+ ATOM 20 CB CYS A 7 38.173 -26.887 35.187 1.00 64.76 C
21
+ ATOM 21 SG CYS A 7 37.413 -25.339 35.744 1.00 83.13 S
22
+ ATOM 22 N PRO A 8 40.997 -27.909 34.429 1.00 54.03 N
23
+ ATOM 23 CA PRO A 8 41.931 -29.047 34.497 1.00 52.59 C
24
+ ATOM 24 C PRO A 8 41.268 -30.354 34.951 1.00 57.99 C
25
+ ATOM 25 O PRO A 8 40.099 -30.350 35.353 1.00 62.57 O
26
+ ATOM 26 CB PRO A 8 42.948 -28.603 35.552 1.00 50.32 C
27
+ ATOM 27 CG PRO A 8 42.935 -27.121 35.500 1.00 51.34 C
28
+ ATOM 28 CD PRO A 8 41.552 -26.710 35.097 1.00 53.24 C
29
+ ATOM 29 N GLU A 9 42.015 -31.456 34.879 1.00 59.75 N
30
+ ATOM 30 CA GLU A 9 41.580 -32.742 35.423 1.00 61.90 C
31
+ ATOM 31 C GLU A 9 41.407 -32.646 36.945 1.00 59.96 C
32
+ ATOM 32 O GLU A 9 42.200 -31.984 37.626 1.00 54.54 O
33
+ ATOM 33 CB GLU A 9 42.582 -33.843 35.052 1.00 72.04 C
34
+ ATOM 34 CG GLU A 9 42.063 -35.272 35.208 1.00 81.84 C
35
+ ATOM 35 CD GLU A 9 41.276 -35.795 34.009 1.00 88.56 C
36
+ ATOM 36 OE1 GLU A 9 40.543 -35.021 33.350 1.00 89.01 O
37
+ ATOM 37 OE2 GLU A 9 41.383 -37.011 33.731 1.00 90.09 O
38
+ ATOM 38 N ARG A 10 40.358 -33.302 37.453 1.00 58.81 N
39
+ ATOM 39 CA ARG A 10 39.955 -33.278 38.879 1.00 55.47 C
40
+ ATOM 40 C ARG A 10 39.626 -31.864 39.405 1.00 54.25 C
41
+ ATOM 41 O ARG A 10 39.840 -31.547 40.582 1.00 55.37 O
42
+ ATOM 42 CB ARG A 10 40.973 -34.024 39.766 1.00 55.39 C
43
+ ATOM 43 CG ARG A 10 41.034 -35.528 39.515 1.00 57.19 C
44
+ ATOM 44 CD ARG A 10 42.321 -36.150 40.039 1.00 64.89 C
45
+ ATOM 45 NE ARG A 10 43.507 -35.676 39.317 1.00 79.35 N
46
+ ATOM 46 CZ ARG A 10 43.995 -36.216 38.199 1.00 82.35 C
47
+ ATOM 47 NH1 ARG A 10 43.416 -37.274 37.641 1.00 82.59 N
48
+ ATOM 48 NH2 ARG A 10 45.076 -35.691 37.634 1.00 82.23 N
49
+ ATOM 49 N HIS A 11 39.104 -31.031 38.502 1.00 48.60 N
50
+ ATOM 50 CA HIS A 11 38.711 -29.650 38.780 1.00 46.49 C
51
+ ATOM 51 C HIS A 11 37.337 -29.381 38.161 1.00 46.09 C
52
+ ATOM 52 O HIS A 11 36.883 -30.139 37.299 1.00 48.22 O
53
+ ATOM 53 CB HIS A 11 39.730 -28.663 38.202 1.00 46.46 C
54
+ ATOM 54 CG HIS A 11 41.041 -28.624 38.929 1.00 46.87 C
55
+ ATOM 55 ND1 HIS A 11 41.924 -29.683 38.941 1.00 46.01 N
56
+ ATOM 56 CD2 HIS A 11 41.637 -27.632 39.633 1.00 46.14 C
57
+ ATOM 57 CE1 HIS A 11 42.996 -29.354 39.640 1.00 46.08 C
58
+ ATOM 58 NE2 HIS A 11 42.848 -28.113 40.068 1.00 46.66 N
59
+ ATOM 59 N TYR A 12 36.683 -28.305 38.598 1.00 42.60 N
60
+ ATOM 60 CA TYR A 12 35.344 -27.946 38.111 1.00 41.28 C
61
+ ATOM 61 C TYR A 12 35.127 -26.433 38.146 1.00 39.12 C
62
+ ATOM 62 O TYR A 12 35.735 -25.728 38.958 1.00 38.23 O
63
+ ATOM 63 CB TYR A 12 34.254 -28.671 38.920 1.00 41.54 C
64
+ ATOM 64 CG TYR A 12 34.027 -28.104 40.305 1.00 42.83 C
65
+ ATOM 65 CD1 TYR A 12 34.957 -28.317 41.334 1.00 43.46 C
66
+ ATOM 66 CD2 TYR A 12 32.887 -27.348 40.591 1.00 42.67 C
67
+ ATOM 67 CE1 TYR A 12 34.759 -27.792 42.604 1.00 43.43 C
68
+ ATOM 68 CE2 TYR A 12 32.679 -26.818 41.862 1.00 44.53 C
69
+ ATOM 69 CZ TYR A 12 33.617 -27.043 42.862 1.00 42.79 C
70
+ ATOM 70 OH TYR A 12 33.417 -26.527 44.118 1.00 40.84 O
71
+ ATOM 71 N TRP A 13 34.256 -25.954 37.260 1.00 39.09 N
72
+ ATOM 72 CA TRP A 13 33.952 -24.532 37.119 1.00 42.28 C
73
+ ATOM 73 C TRP A 13 33.020 -24.076 38.242 1.00 44.66 C
74
+ ATOM 74 O TRP A 13 31.819 -24.356 38.218 1.00 46.91 O
75
+ ATOM 75 CB TRP A 13 33.341 -24.276 35.738 1.00 43.19 C
76
+ ATOM 76 CG TRP A 13 33.257 -22.837 35.324 1.00 45.95 C
77
+ ATOM 77 CD1 TRP A 13 32.120 -22.140 35.031 1.00 47.60 C
78
+ ATOM 78 CD2 TRP A 13 34.349 -21.924 35.133 1.00 46.86 C
79
+ ATOM 79 NE1 TRP A 13 32.430 -20.853 34.672 1.00 48.29 N
80
+ ATOM 80 CE2 TRP A 13 33.788 -20.687 34.731 1.00 49.47 C
81
+ ATOM 81 CE3 TRP A 13 35.746 -22.027 35.265 1.00 46.00 C
82
+ ATOM 82 CZ2 TRP A 13 34.577 -19.553 34.456 1.00 48.57 C
83
+ ATOM 83 CZ3 TRP A 13 36.532 -20.901 34.992 1.00 45.40 C
84
+ ATOM 84 CH2 TRP A 13 35.941 -19.681 34.591 1.00 46.77 C
85
+ ATOM 85 N ALA A 14 33.591 -23.372 39.218 1.00 47.15 N
86
+ ATOM 86 CA ALA A 14 32.925 -23.092 40.495 1.00 54.92 C
87
+ ATOM 87 C ALA A 14 31.711 -22.162 40.419 1.00 63.10 C
88
+ ATOM 88 O ALA A 14 30.572 -22.637 40.334 1.00 73.55 O
89
+ ATOM 89 CB ALA A 14 33.928 -22.594 41.523 1.00 53.41 C
90
+ ATOM 90 N GLN A 15 31.954 -20.852 40.446 1.00 61.57 N
91
+ ATOM 91 CA GLN A 15 30.886 -19.860 40.600 1.00 61.16 C
92
+ ATOM 92 C GLN A 15 30.627 -19.091 39.304 1.00 60.90 C
93
+ ATOM 93 O GLN A 15 30.186 -17.940 39.325 1.00 63.73 O
94
+ ATOM 94 CB GLN A 15 31.227 -18.899 41.750 1.00 63.86 C
95
+ ATOM 95 CG GLN A 15 31.388 -19.560 43.119 1.00 62.83 C
96
+ ATOM 96 CD GLN A 15 30.101 -19.632 43.933 1.00 64.45 C
97
+ ATOM 97 OE1 GLN A 15 30.127 -19.442 45.148 1.00 69.24 O
98
+ ATOM 98 NE2 GLN A 15 28.976 -19.912 43.275 1.00 61.69 N
99
+ ATOM 99 N GLY A 16 30.890 -19.750 38.177 1.00 60.39 N
100
+ ATOM 100 CA GLY A 16 30.912 -19.099 36.870 1.00 58.43 C
101
+ ATOM 101 C GLY A 16 32.150 -18.233 36.693 1.00 57.46 C
102
+ ATOM 102 O GLY A 16 32.187 -17.375 35.808 1.00 59.75 O
103
+ ATOM 103 N LYS A 17 33.173 -18.491 37.511 1.00 52.68 N
104
+ ATOM 104 CA LYS A 17 34.285 -17.567 37.705 1.00 50.05 C
105
+ ATOM 105 C LYS A 17 35.666 -18.232 37.691 1.00 51.29 C
106
+ ATOM 106 O LYS A 17 36.610 -17.682 37.128 1.00 49.59 O
107
+ ATOM 107 CB LYS A 17 34.081 -16.804 39.022 1.00 48.67 C
108
+ ATOM 108 CG LYS A 17 34.986 -15.601 39.224 1.00 48.26 C
109
+ ATOM 109 CD LYS A 17 34.827 -15.023 40.619 1.00 49.15 C
110
+ ATOM 110 CE LYS A 17 35.752 -13.835 40.825 1.00 48.19 C
111
+ ATOM 111 NZ LYS A 17 35.833 -13.441 42.256 1.00 47.78 N
112
+ ATOM 112 N LEU A 18 35.786 -19.404 38.314 1.00 54.86 N
113
+ ATOM 113 CA LEU A 18 37.099 -20.031 38.533 1.00 55.77 C
114
+ ATOM 114 C LEU A 18 37.055 -21.559 38.631 1.00 56.90 C
115
+ ATOM 115 O LEU A 18 35.984 -22.149 38.781 1.00 58.95 O
116
+ ATOM 116 CB LEU A 18 37.804 -19.414 39.759 1.00 53.39 C
117
+ ATOM 117 CG LEU A 18 36.983 -18.938 40.964 1.00 52.81 C
118
+ ATOM 118 CD1 LEU A 18 36.728 -20.074 41.937 1.00 51.89 C
119
+ ATOM 119 CD2 LEU A 18 37.684 -17.784 41.664 1.00 56.38 C
120
+ ATOM 120 N CYS A 19 38.230 -22.182 38.521 1.00 56.34 N
121
+ ATOM 121 CA CYS A 19 38.384 -23.626 38.665 1.00 54.11 C
122
+ ATOM 122 C CYS A 19 38.803 -23.963 40.079 1.00 54.64 C
123
+ ATOM 123 O CYS A 19 39.785 -23.419 40.590 1.00 54.11 O
124
+ ATOM 124 CB CYS A 19 39.424 -24.170 37.686 1.00 57.38 C
125
+ ATOM 125 SG CYS A 19 38.964 -24.022 35.950 1.00 65.32 S
126
+ ATOM 126 N CYS A 20 38.042 -24.852 40.710 1.00 53.82 N
127
+ ATOM 127 CA CYS A 20 38.408 -25.392 42.012 1.00 53.40 C
128
+ ATOM 128 C CYS A 20 38.726 -26.860 41.867 1.00 48.22 C
129
+ ATOM 129 O CYS A 20 38.149 -27.538 41.016 1.00 44.00 O
130
+ ATOM 130 CB CYS A 20 37.277 -25.218 43.029 1.00 57.72 C
131
+ ATOM 131 SG CYS A 20 36.784 -23.511 43.338 1.00 66.06 S
132
+ ATOM 132 N GLN A 21 39.648 -27.336 42.703 1.00 49.08 N
133
+ ATOM 133 CA GLN A 21 39.901 -28.763 42.856 1.00 48.14 C
134
+ ATOM 134 C GLN A 21 38.637 -29.447 43.357 1.00 49.52 C
135
+ ATOM 135 O GLN A 21 37.939 -28.926 44.236 1.00 49.34 O
136
+ ATOM 136 CB GLN A 21 41.041 -29.020 43.839 1.00 44.98 C
137
+ ATOM 137 CG GLN A 21 42.425 -28.689 43.309 1.00 46.57 C
138
+ ATOM 138 CD GLN A 21 43.460 -28.535 44.409 1.00 47.23 C
139
+ ATOM 139 OE1 GLN A 21 43.620 -29.408 45.259 1.00 50.72 O
140
+ ATOM 140 NE2 GLN A 21 44.179 -27.422 44.388 1.00 45.41 N
141
+ ATOM 141 N MET A 22 38.342 -30.603 42.771 1.00 49.73 N
142
+ ATOM 142 CA MET A 22 37.270 -31.465 43.247 1.00 47.25 C
143
+ ATOM 143 C MET A 22 37.670 -32.071 44.586 1.00 47.54 C
144
+ ATOM 144 O MET A 22 38.852 -32.067 44.959 1.00 46.62 O
145
+ ATOM 145 CB MET A 22 36.983 -32.573 42.235 1.00 49.79 C
146
+ ATOM 146 CG MET A 22 36.321 -32.099 40.958 1.00 51.16 C
147
+ ATOM 147 SD MET A 22 35.974 -33.487 39.872 1.00 54.11 S
148
+ ATOM 148 CE MET A 22 35.033 -32.664 38.584 1.00 48.94 C
149
+ ATOM 149 N CYS A 23 36.677 -32.582 45.305 1.00 48.72 N
150
+ ATOM 150 CA CYS A 23 36.906 -33.235 46.581 1.00 47.58 C
151
+ ATOM 151 C CYS A 23 37.531 -34.592 46.355 1.00 45.45 C
152
+ ATOM 152 O CYS A 23 37.003 -35.402 45.590 1.00 48.71 O
153
+ ATOM 153 CB CYS A 23 35.599 -33.357 47.357 1.00 49.71 C
154
+ ATOM 154 SG CYS A 23 34.982 -31.779 47.980 1.00 56.27 S
155
+ ATOM 155 N GLU A 24 38.673 -34.808 47.003 1.00 44.08 N
156
+ ATOM 156 CA GLU A 24 39.413 -36.072 46.950 1.00 47.07 C
157
+ ATOM 157 C GLU A 24 38.610 -37.227 47.578 1.00 50.04 C
158
+ ATOM 158 O GLU A 24 37.761 -36.977 48.436 1.00 48.12 O
159
+ ATOM 159 CB GLU A 24 40.768 -35.921 47.651 1.00 48.00 C
160
+ ATOM 160 CG GLU A 24 40.697 -35.457 49.104 1.00 54.65 C
161
+ ATOM 161 CD GLU A 24 42.017 -35.584 49.841 1.00 63.98 C
162
+ ATOM 162 OE1 GLU A 24 43.088 -35.494 49.199 1.00 73.35 O
163
+ ATOM 163 OE2 GLU A 24 41.985 -35.765 51.076 1.00 64.76 O
164
+ ATOM 164 N PRO A 25 38.856 -38.489 47.142 1.00 52.43 N
165
+ ATOM 165 CA PRO A 25 38.223 -39.643 47.801 1.00 50.81 C
166
+ ATOM 166 C PRO A 25 38.361 -39.605 49.325 1.00 49.55 C
167
+ ATOM 167 O PRO A 25 39.414 -39.218 49.850 1.00 48.31 O
168
+ ATOM 168 CB PRO A 25 38.976 -40.834 47.211 1.00 48.50 C
169
+ ATOM 169 CG PRO A 25 39.305 -40.385 45.833 1.00 49.20 C
170
+ ATOM 170 CD PRO A 25 39.567 -38.903 45.914 1.00 50.75 C
171
+ ATOM 171 N GLY A 26 37.278 -39.967 50.011 1.00 46.30 N
172
+ ATOM 172 CA GLY A 26 37.202 -39.865 51.464 1.00 42.51 C
173
+ ATOM 173 C GLY A 26 36.643 -38.549 51.963 1.00 40.56 C
174
+ ATOM 174 O GLY A 26 36.575 -38.334 53.170 1.00 39.58 O
175
+ ATOM 175 N THR A 27 36.260 -37.665 51.038 1.00 39.46 N
176
+ ATOM 176 CA THR A 27 35.676 -36.357 51.384 1.00 40.56 C
177
+ ATOM 177 C THR A 27 34.351 -36.063 50.637 1.00 40.83 C
178
+ ATOM 178 O THR A 27 33.969 -36.805 49.728 1.00 42.88 O
179
+ ATOM 179 CB THR A 27 36.683 -35.180 51.211 1.00 39.78 C
180
+ ATOM 180 OG1 THR A 27 37.024 -35.008 49.834 1.00 41.70 O
181
+ ATOM 181 CG2 THR A 27 37.955 -35.377 52.034 1.00 36.88 C
182
+ ATOM 182 N PHE A 28 33.652 -35.003 51.053 1.00 37.87 N
183
+ ATOM 183 CA PHE A 28 32.447 -34.486 50.370 1.00 37.04 C
184
+ ATOM 184 C PHE A 28 32.533 -32.954 50.287 1.00 37.05 C
185
+ ATOM 185 O PHE A 28 33.317 -32.342 51.022 1.00 36.03 O
186
+ ATOM 186 CB PHE A 28 31.157 -34.940 51.094 1.00 36.80 C
187
+ ATOM 187 CG PHE A 28 31.017 -34.400 52.502 1.00 35.88 C
188
+ ATOM 188 CD1 PHE A 28 31.578 -35.076 53.587 1.00 34.34 C
189
+ ATOM 189 CD2 PHE A 28 30.333 -33.207 52.746 1.00 35.05 C
190
+ ATOM 190 CE1 PHE A 28 31.467 -34.575 54.881 1.00 34.33 C
191
+ ATOM 191 CE2 PHE A 28 30.217 -32.704 54.038 1.00 35.61 C
192
+ ATOM 192 CZ PHE A 28 30.780 -33.391 55.107 1.00 33.98 C
193
+ ATOM 193 N LEU A 29 31.728 -32.337 49.419 1.00 40.66 N
194
+ ATOM 194 CA LEU A 29 31.795 -30.877 49.202 1.00 41.89 C
195
+ ATOM 195 C LEU A 29 30.990 -30.041 50.194 1.00 43.67 C
196
+ ATOM 196 O LEU A 29 29.797 -30.283 50.410 1.00 46.68 O
197
+ ATOM 197 CB LEU A 29 31.434 -30.501 47.754 1.00 41.39 C
198
+ ATOM 198 CG LEU A 29 31.607 -29.038 47.302 1.00 43.04 C
199
+ ATOM 199 CD1 LEU A 29 33.039 -28.545 47.472 1.00 40.85 C
200
+ ATOM 200 CD2 LEU A 29 31.144 -28.834 45.865 1.00 43.95 C
201
+ ATOM 201 N VAL A 30 31.662 -29.048 50.776 1.00 44.11 N
202
+ ATOM 202 CA VAL A 30 31.035 -28.090 51.691 1.00 44.63 C
203
+ ATOM 203 C VAL A 30 30.922 -26.714 51.029 1.00 45.00 C
204
+ ATOM 204 O VAL A 30 29.823 -26.196 50.851 1.00 47.38 O
205
+ ATOM 205 CB VAL A 30 31.788 -27.994 53.045 1.00 45.53 C
206
+ ATOM 206 CG1 VAL A 30 31.132 -26.970 53.968 1.00 43.92 C
207
+ ATOM 207 CG2 VAL A 30 31.856 -29.356 53.723 1.00 43.95 C
208
+ ATOM 208 N LYS A 31 32.063 -26.137 50.668 1.00 49.54 N
209
+ ATOM 209 CA LYS A 31 32.119 -24.800 50.097 1.00 53.55 C
210
+ ATOM 210 C LYS A 31 33.096 -24.765 48.923 1.00 53.63 C
211
+ ATOM 211 O LYS A 31 34.155 -25.405 48.971 1.00 55.46 O
212
+ ATOM 212 CB LYS A 31 32.530 -23.788 51.174 1.00 56.75 C
213
+ ATOM 213 CG LYS A 31 32.034 -22.373 50.916 1.00 68.23 C
214
+ ATOM 214 CD LYS A 31 32.735 -21.337 51.785 1.00 74.63 C
215
+ ATOM 215 CE LYS A 31 32.414 -19.926 51.307 1.00 76.85 C
216
+ ATOM 216 NZ LYS A 31 33.103 -18.883 52.119 1.00 77.25 N
217
+ ATOM 217 N ASP A 32 32.727 -24.025 47.873 1.00 51.90 N
218
+ ATOM 218 CA ASP A 32 33.606 -23.767 46.724 1.00 50.95 C
219
+ ATOM 219 C ASP A 32 34.828 -22.952 47.150 1.00 52.46 C
220
+ ATOM 220 O ASP A 32 34.769 -22.205 48.133 1.00 57.81 O
221
+ ATOM 221 CB ASP A 32 32.853 -22.999 45.631 1.00 49.79 C
222
+ ATOM 222 CG ASP A 32 31.783 -23.832 44.929 1.00 52.40 C
223
+ ATOM 223 OD1 ASP A 32 31.571 -25.017 45.269 1.00 55.19 O
224
+ ATOM 224 OD2 ASP A 32 31.136 -23.284 44.013 1.00 54.60 O
225
+ ATOM 225 N CYS A 33 35.930 -23.106 46.419 1.00 50.60 N
226
+ ATOM 226 CA CYS A 33 37.134 -22.295 46.631 1.00 52.08 C
227
+ ATOM 227 C CYS A 33 36.903 -20.842 46.194 1.00 51.75 C
228
+ ATOM 228 O CYS A 33 36.015 -20.567 45.377 1.00 48.72 O
229
+ ATOM 229 CB CYS A 33 38.340 -22.909 45.904 1.00 57.84 C
230
+ ATOM 230 SG CYS A 33 38.447 -22.633 44.111 1.00 63.87 S
231
+ ATOM 231 N ASP A 34 37.697 -19.925 46.745 1.00 53.52 N
232
+ ATOM 232 CA ASP A 34 37.588 -18.496 46.419 1.00 60.85 C
233
+ ATOM 233 C ASP A 34 38.752 -17.965 45.559 1.00 61.56 C
234
+ ATOM 234 O ASP A 34 38.818 -16.764 45.254 1.00 62.25 O
235
+ ATOM 235 CB ASP A 34 37.401 -17.659 47.700 1.00 65.17 C
236
+ ATOM 236 CG ASP A 34 38.620 -17.690 48.626 1.00 73.50 C
237
+ ATOM 237 OD1 ASP A 34 39.358 -18.703 48.658 1.00 74.00 O
238
+ ATOM 238 OD2 ASP A 34 38.832 -16.686 49.339 1.00 79.20 O
239
+ ATOM 239 N GLN A 35 39.659 -18.867 45.178 1.00 58.81 N
240
+ ATOM 240 CA GLN A 35 40.798 -18.552 44.311 1.00 57.67 C
241
+ ATOM 241 C GLN A 35 41.024 -19.648 43.277 1.00 57.88 C
242
+ ATOM 242 O GLN A 35 40.951 -20.836 43.601 1.00 56.81 O
243
+ ATOM 243 CB GLN A 35 42.074 -18.354 45.131 1.00 59.08 C
244
+ ATOM 244 CG GLN A 35 42.124 -17.053 45.919 1.00 67.17 C
245
+ ATOM 245 CD GLN A 35 43.531 -16.609 46.278 1.00 74.88 C
246
+ ATOM 246 OE1 GLN A 35 44.479 -17.403 46.291 1.00 81.19 O
247
+ ATOM 247 NE2 GLN A 35 43.672 -15.325 46.578 1.00 77.49 N
248
+ ATOM 248 N HIS A 36 41.312 -19.233 42.041 1.00 57.29 N
249
+ ATOM 249 CA HIS A 36 41.581 -20.136 40.912 1.00 51.21 C
250
+ ATOM 250 C HIS A 36 42.636 -21.198 41.233 1.00 49.51 C
251
+ ATOM 251 O HIS A 36 43.711 -20.882 41.753 1.00 46.78 O
252
+ ATOM 252 CB HIS A 36 41.993 -19.326 39.678 1.00 49.46 C
253
+ ATOM 253 CG HIS A 36 42.014 -20.118 38.407 1.00 48.84 C
254
+ ATOM 254 ND1 HIS A 36 40.873 -20.640 37.835 1.00 48.36 N
255
+ ATOM 255 CD2 HIS A 36 43.037 -20.462 37.588 1.00 47.02 C
256
+ ATOM 256 CE1 HIS A 36 41.194 -21.282 36.726 1.00 47.34 C
257
+ ATOM 257 NE2 HIS A 36 42.500 -21.184 36.550 1.00 47.48 N
258
+ ATOM 258 N ARG A 37 42.283 -22.453 40.940 1.00 53.52 N
259
+ ATOM 259 CA ARG A 37 43.114 -23.664 41.153 1.00 53.82 C
260
+ ATOM 260 C ARG A 37 43.298 -24.145 42.601 1.00 55.88 C
261
+ ATOM 261 O ARG A 37 43.844 -25.228 42.821 1.00 57.18 O
262
+ ATOM 262 CB ARG A 37 44.463 -23.579 40.418 1.00 49.45 C
263
+ ATOM 263 CG ARG A 37 44.342 -23.816 38.926 1.00 46.30 C
264
+ ATOM 264 CD ARG A 37 45.644 -23.515 38.217 1.00 45.70 C
265
+ ATOM 265 NE ARG A 37 45.509 -23.633 36.766 1.00 42.40 N
266
+ ATOM 266 CZ ARG A 37 46.531 -23.763 35.927 1.00 39.96 C
267
+ ATOM 267 NH1 ARG A 37 47.778 -23.805 36.384 1.00 38.96 N
268
+ ATOM 268 NH2 ARG A 37 46.302 -23.866 34.629 1.00 40.99 N
269
+ ATOM 269 N LYS A 38 42.838 -23.355 43.572 1.00 58.79 N
270
+ ATOM 270 CA LYS A 38 42.864 -23.756 44.982 1.00 56.30 C
271
+ ATOM 271 C LYS A 38 41.835 -24.847 45.284 1.00 53.05 C
272
+ ATOM 272 O LYS A 38 40.837 -24.996 44.564 1.00 49.82 O
273
+ ATOM 273 CB LYS A 38 42.670 -22.546 45.907 1.00 58.24 C
274
+ ATOM 274 CG LYS A 38 43.963 -21.957 46.459 1.00 64.93 C
275
+ ATOM 275 CD LYS A 38 44.674 -21.054 45.456 1.00 74.48 C
276
+ ATOM 276 CE LYS A 38 46.159 -20.915 45.765 1.00 77.52 C
277
+ ATOM 277 NZ LYS A 38 46.952 -22.109 45.349 1.00 73.29 N
278
+ ATOM 278 N ALA A 39 42.107 -25.618 46.336 1.00 51.84 N
279
+ ATOM 279 CA ALA A 39 41.223 -26.692 46.778 1.00 48.50 C
280
+ ATOM 280 C ALA A 39 39.945 -26.125 47.376 1.00 45.59 C
281
+ ATOM 281 O ALA A 39 39.989 -25.197 48.192 1.00 47.11 O
282
+ ATOM 282 CB ALA A 39 41.929 -27.590 47.783 1.00 47.12 C
283
+ ATOM 283 N ALA A 40 38.814 -26.671 46.936 1.00 41.93 N
284
+ ATOM 284 CA ALA A 40 37.517 -26.393 47.542 1.00 43.79 C
285
+ ATOM 285 C ALA A 40 37.480 -26.985 48.948 1.00 46.72 C
286
+ ATOM 286 O ALA A 40 38.173 -27.972 49.229 1.00 50.40 O
287
+ ATOM 287 CB ALA A 40 36.401 -26.971 46.690 1.00 43.67 C
288
+ ATOM 288 N GLN A 41 36.694 -26.371 49.832 1.00 46.52 N
289
+ ATOM 289 CA GLN A 41 36.514 -26.894 51.182 1.00 48.16 C
290
+ ATOM 290 C GLN A 41 35.812 -28.249 51.146 1.00 45.34 C
291
+ ATOM 291 O GLN A 41 34.648 -28.357 50.742 1.00 44.94 O
292
+ ATOM 292 CB GLN A 41 35.764 -25.905 52.066 1.00 51.99 C
293
+ ATOM 293 CG GLN A 41 36.677 -25.054 52.929 1.00 58.50 C
294
+ ATOM 294 CD GLN A 41 35.985 -24.537 54.179 1.00 66.44 C
295
+ ATOM 295 OE1 GLN A 41 35.196 -25.246 54.816 1.00 65.41 O
296
+ ATOM 296 NE2 GLN A 41 36.286 -23.295 54.544 1.00 67.59 N
297
+ ATOM 297 N CYS A 42 36.559 -29.279 51.534 1.00 43.31 N
298
+ ATOM 298 CA CYS A 42 36.069 -30.653 51.524 1.00 44.96 C
299
+ ATOM 299 C CYS A 42 36.275 -31.271 52.891 1.00 40.98 C
300
+ ATOM 300 O CYS A 42 37.377 -31.237 53.437 1.00 41.71 O
301
+ ATOM 301 CB CYS A 42 36.771 -31.487 50.443 1.00 49.11 C
302
+ ATOM 302 SG CYS A 42 36.613 -30.835 48.763 1.00 56.26 S
303
+ ATOM 303 N ASP A 43 35.201 -31.823 53.442 1.00 38.14 N
304
+ ATOM 304 CA ASP A 43 35.244 -32.441 54.763 1.00 37.30 C
305
+ ATOM 305 C ASP A 43 35.266 -33.967 54.651 1.00 34.47 C
306
+ ATOM 306 O ASP A 43 34.742 -34.509 53.678 1.00 33.55 O
307
+ ATOM 307 CB ASP A 43 34.067 -31.956 55.615 1.00 36.78 C
308
+ ATOM 308 CG ASP A 43 34.328 -30.612 56.264 1.00 41.99 C
309
+ ATOM 309 OD1 ASP A 43 35.492 -30.153 56.299 1.00 47.65 O
310
+ ATOM 310 OD2 ASP A 43 33.363 -30.006 56.761 1.00 45.31 O
311
+ ATOM 311 N PRO A 44 35.878 -34.663 55.634 1.00 31.58 N
312
+ ATOM 312 CA PRO A 44 35.946 -36.120 55.513 1.00 32.57 C
313
+ ATOM 313 C PRO A 44 34.633 -36.838 55.837 1.00 36.49 C
314
+ ATOM 314 O PRO A 44 33.808 -36.325 56.602 1.00 40.88 O
315
+ ATOM 315 CB PRO A 44 37.027 -36.505 56.524 1.00 30.99 C
316
+ ATOM 316 CG PRO A 44 36.966 -35.438 57.560 1.00 29.94 C
317
+ ATOM 317 CD PRO A 44 36.592 -34.177 56.835 1.00 30.05 C
318
+ ATOM 318 N CYS A 45 34.460 -38.016 55.245 1.00 38.62 N
319
+ ATOM 319 CA CYS A 45 33.352 -38.916 55.558 1.00 42.46 C
320
+ ATOM 320 C CYS A 45 33.543 -39.566 56.941 1.00 41.77 C
321
+ ATOM 321 O CYS A 45 34.594 -39.397 57.575 1.00 40.76 O
322
+ ATOM 322 CB CYS A 45 33.221 -39.980 54.464 1.00 46.43 C
323
+ ATOM 323 SG CYS A 45 32.990 -39.335 52.786 1.00 49.21 S
324
+ ATOM 324 N ILE A 46 32.528 -40.292 57.410 1.00 40.21 N
325
+ ATOM 325 CA ILE A 46 32.609 -40.970 58.707 1.00 42.32 C
326
+ ATOM 326 C ILE A 46 33.218 -42.378 58.547 1.00 42.43 C
327
+ ATOM 327 O ILE A 46 32.690 -43.191 57.780 1.00 40.71 O
328
+ ATOM 328 CB ILE A 46 31.246 -41.038 59.447 1.00 42.24 C
329
+ ATOM 329 CG1 ILE A 46 30.481 -39.710 59.346 1.00 41.56 C
330
+ ATOM 330 CG2 ILE A 46 31.456 -41.424 60.912 1.00 41.98 C
331
+ ATOM 331 CD1 ILE A 46 29.011 -39.797 59.723 1.00 41.00 C
332
+ ATOM 332 N PRO A 47 34.332 -42.661 59.267 1.00 42.45 N
333
+ ATOM 333 CA PRO A 47 35.011 -43.967 59.239 1.00 42.91 C
334
+ ATOM 334 C PRO A 47 34.098 -45.130 59.612 1.00 46.28 C
335
+ ATOM 335 O PRO A 47 33.558 -45.168 60.726 1.00 48.80 O
336
+ ATOM 336 CB PRO A 47 36.106 -43.819 60.294 1.00 41.57 C
337
+ ATOM 337 CG PRO A 47 36.372 -42.365 60.368 1.00 40.95 C
338
+ ATOM 338 CD PRO A 47 35.065 -41.689 60.103 1.00 42.22 C
339
+ ATOM 339 N GLY A 48 33.929 -46.057 58.670 1.00 46.18 N
340
+ ATOM 340 CA GLY A 48 33.085 -47.242 58.851 1.00 44.82 C
341
+ ATOM 341 C GLY A 48 31.590 -46.993 58.739 1.00 47.01 C
342
+ ATOM 342 O GLY A 48 30.792 -47.911 58.962 1.00 49.00 O
343
+ ATOM 343 N VAL A 49 31.212 -45.759 58.391 1.00 44.10 N
344
+ ATOM 344 CA VAL A 49 29.805 -45.350 58.301 1.00 40.78 C
345
+ ATOM 345 C VAL A 49 29.474 -44.809 56.901 1.00 39.31 C
346
+ ATOM 346 O VAL A 49 28.487 -45.228 56.285 1.00 39.68 O
347
+ ATOM 347 CB VAL A 49 29.427 -44.343 59.425 1.00 40.31 C
348
+ ATOM 348 CG1 VAL A 49 27.985 -43.869 59.292 1.00 39.86 C
349
+ ATOM 349 CG2 VAL A 49 29.634 -44.962 60.802 1.00 38.69 C
350
+ ATOM 350 N SER A 50 30.305 -43.896 56.405 1.00 38.94 N
351
+ ATOM 351 CA SER A 50 30.156 -43.353 55.053 1.00 39.00 C
352
+ ATOM 352 C SER A 50 31.494 -43.268 54.306 1.00 39.27 C
353
+ ATOM 353 O SER A 50 32.566 -43.257 54.925 1.00 40.79 O
354
+ ATOM 354 CB SER A 50 29.432 -41.998 55.072 1.00 40.30 C
355
+ ATOM 355 OG SER A 50 30.111 -41.047 55.872 1.00 44.74 O
356
+ ATOM 356 N PHE A 51 31.416 -43.202 52.977 1.00 37.13 N
357
+ ATOM 357 CA PHE A 51 32.589 -43.242 52.107 1.00 34.89 C
358
+ ATOM 358 C PHE A 51 32.379 -42.474 50.793 1.00 35.19 C
359
+ ATOM 359 O PHE A 51 31.239 -42.176 50.405 1.00 31.86 O
360
+ ATOM 360 CB PHE A 51 32.961 -44.710 51.804 1.00 33.06 C
361
+ ATOM 361 CG PHE A 51 32.168 -45.322 50.677 1.00 31.96 C
362
+ ATOM 362 CD1 PHE A 51 30.847 -45.733 50.873 1.00 33.28 C
363
+ ATOM 363 CD2 PHE A 51 32.737 -45.472 49.409 1.00 31.33 C
364
+ ATOM 364 CE1 PHE A 51 30.110 -46.281 49.828 1.00 34.81 C
365
+ ATOM 365 CE2 PHE A 51 32.009 -46.021 48.362 1.00 32.52 C
366
+ ATOM 366 CZ PHE A 51 30.696 -46.431 48.570 1.00 35.13 C
367
+ ATOM 367 N SER A 52 33.491 -42.183 50.113 1.00 36.00 N
368
+ ATOM 368 CA SER A 52 33.487 -41.714 48.722 1.00 38.17 C
369
+ ATOM 369 C SER A 52 34.716 -42.258 47.975 1.00 41.65 C
370
+ ATOM 370 O SER A 52 35.850 -42.089 48.443 1.00 41.67 O
371
+ ATOM 371 CB SER A 52 33.404 -40.183 48.635 1.00 37.89 C
372
+ ATOM 372 OG SER A 52 34.378 -39.557 49.453 1.00 40.93 O
373
+ ATOM 373 N PRO A 53 34.496 -42.930 46.821 1.00 44.85 N
374
+ ATOM 374 CA PRO A 53 35.608 -43.577 46.110 1.00 44.82 C
375
+ ATOM 375 C PRO A 53 36.399 -42.666 45.165 1.00 47.66 C
376
+ ATOM 376 O PRO A 53 37.531 -43.000 44.803 1.00 50.82 O
377
+ ATOM 377 CB PRO A 53 34.906 -44.678 45.313 1.00 43.64 C
378
+ ATOM 378 CG PRO A 53 33.542 -44.130 45.035 1.00 44.77 C
379
+ ATOM 379 CD PRO A 53 33.204 -43.159 46.137 1.00 44.04 C
380
+ ATOM 380 N ASP A 54 35.815 -41.521 44.810 1.00 48.96 N
381
+ ATOM 381 CA ASP A 54 36.217 -40.747 43.636 1.00 51.75 C
382
+ ATOM 382 C ASP A 54 36.417 -39.251 43.891 1.00 53.06 C
383
+ ATOM 383 O ASP A 54 35.968 -38.714 44.909 1.00 58.19 O
384
+ ATOM 384 CB ASP A 54 35.174 -40.944 42.519 1.00 56.69 C
385
+ ATOM 385 CG ASP A 54 33.748 -40.538 42.940 1.00 63.53 C
386
+ ATOM 386 OD1 ASP A 54 33.483 -40.290 44.144 1.00 61.30 O
387
+ ATOM 387 OD2 ASP A 54 32.876 -40.476 42.047 1.00 64.99 O
388
+ ATOM 388 N HIS A 55 37.102 -38.597 42.952 1.00 50.62 N
389
+ ATOM 389 CA HIS A 55 37.169 -37.143 42.885 1.00 44.98 C
390
+ ATOM 390 C HIS A 55 35.831 -36.659 42.361 1.00 45.26 C
391
+ ATOM 391 O HIS A 55 35.424 -37.027 41.255 1.00 48.51 O
392
+ ATOM 392 CB HIS A 55 38.319 -36.687 41.983 1.00 40.85 C
393
+ ATOM 393 CG HIS A 55 39.671 -36.843 42.606 1.00 41.07 C
394
+ ATOM 394 ND1 HIS A 55 40.421 -37.995 42.483 1.00 41.42 N
395
+ ATOM 395 CD2 HIS A 55 40.407 -35.994 43.364 1.00 40.67 C
396
+ ATOM 396 CE1 HIS A 55 41.562 -37.846 43.134 1.00 42.72 C
397
+ ATOM 397 NE2 HIS A 55 41.578 -36.642 43.679 1.00 42.33 N
398
+ ATOM 398 N HIS A 56 35.137 -35.856 43.169 1.00 45.21 N
399
+ ATOM 399 CA HIS A 56 33.741 -35.491 42.889 1.00 43.69 C
400
+ ATOM 400 C HIS A 56 33.300 -34.162 43.517 1.00 44.09 C
401
+ ATOM 401 O HIS A 56 34.070 -33.494 44.211 1.00 43.44 O
402
+ ATOM 402 CB HIS A 56 32.808 -36.616 43.354 1.00 41.33 C
403
+ ATOM 403 CG HIS A 56 32.644 -36.669 44.836 1.00 41.02 C
404
+ ATOM 404 ND1 HIS A 56 33.671 -37.015 45.686 1.00 42.90 N
405
+ ATOM 405 CD2 HIS A 56 31.582 -36.386 45.623 1.00 39.50 C
406
+ ATOM 406 CE1 HIS A 56 33.243 -36.956 46.934 1.00 42.36 C
407
+ ATOM 407 NE2 HIS A 56 31.978 -36.578 46.923 1.00 41.51 N
408
+ ATOM 408 N THR A 57 32.034 -33.823 43.283 1.00 48.21 N
409
+ ATOM 409 CA THR A 57 31.462 -32.532 43.645 1.00 50.92 C
410
+ ATOM 410 C THR A 57 30.213 -32.647 44.539 1.00 48.40 C
411
+ ATOM 411 O THR A 57 29.587 -31.633 44.862 1.00 52.20 O
412
+ ATOM 412 CB THR A 57 31.174 -31.686 42.369 1.00 57.71 C
413
+ ATOM 413 OG1 THR A 57 30.825 -30.348 42.740 1.00 68.37 O
414
+ ATOM 414 CG2 THR A 57 30.049 -32.291 41.510 1.00 55.44 C
415
+ ATOM 415 N ARG A 58 29.869 -33.873 44.939 1.00 45.78 N
416
+ ATOM 416 CA ARG A 58 28.661 -34.156 45.739 1.00 44.86 C
417
+ ATOM 417 C ARG A 58 28.699 -33.525 47.144 1.00 44.27 C
418
+ ATOM 418 O ARG A 58 29.776 -33.415 47.745 1.00 41.75 O
419
+ ATOM 419 CB ARG A 58 28.387 -35.667 45.828 1.00 44.50 C
420
+ ATOM 420 CG ARG A 58 27.931 -36.299 44.523 1.00 45.77 C
421
+ ATOM 421 CD ARG A 58 27.842 -37.815 44.610 1.00 49.31 C
422
+ ATOM 422 NE ARG A 58 29.134 -38.470 44.392 1.00 56.75 N
423
+ ATOM 423 CZ ARG A 58 29.782 -39.207 45.296 1.00 64.54 C
424
+ ATOM 424 NH1 ARG A 58 29.276 -39.408 46.513 1.00 69.78 N
425
+ ATOM 425 NH2 ARG A 58 30.952 -39.747 44.980 1.00 60.47 N
426
+ ATOM 426 N PRO A 59 27.525 -33.095 47.662 1.00 43.93 N
427
+ ATOM 427 CA PRO A 59 27.498 -32.418 48.961 1.00 44.11 C
428
+ ATOM 428 C PRO A 59 27.483 -33.350 50.179 1.00 48.60 C
429
+ ATOM 429 O PRO A 59 27.513 -32.865 51.313 1.00 52.08 O
430
+ ATOM 430 CB PRO A 59 26.209 -31.597 48.890 1.00 42.94 C
431
+ ATOM 431 CG PRO A 59 25.307 -32.409 48.025 1.00 42.26 C
432
+ ATOM 432 CD PRO A 59 26.190 -33.099 47.024 1.00 42.40 C
433
+ ATOM 433 N HIS A 60 27.435 -34.664 49.942 1.00 51.68 N
434
+ ATOM 434 CA HIS A 60 27.465 -35.683 51.002 1.00 54.14 C
435
+ ATOM 435 C HIS A 60 28.063 -37.002 50.497 1.00 56.83 C
436
+ ATOM 436 O HIS A 60 28.130 -37.237 49.284 1.00 62.81 O
437
+ ATOM 437 CB HIS A 60 26.061 -35.907 51.587 1.00 57.86 C
438
+ ATOM 438 CG HIS A 60 25.093 -36.528 50.627 1.00 64.98 C
439
+ ATOM 439 ND1 HIS A 60 24.561 -35.843 49.555 1.00 69.80 N
440
+ ATOM 440 CD2 HIS A 60 24.560 -37.772 50.578 1.00 66.55 C
441
+ ATOM 441 CE1 HIS A 60 23.747 -36.640 48.885 1.00 71.37 C
442
+ ATOM 442 NE2 HIS A 60 23.728 -37.816 49.486 1.00 70.12 N
443
+ ATOM 443 N CYS A 61 28.494 -37.853 51.431 1.00 53.53 N
444
+ ATOM 444 CA CYS A 61 29.079 -39.157 51.109 1.00 49.93 C
445
+ ATOM 445 C CYS A 61 28.003 -40.213 50.848 1.00 49.16 C
446
+ ATOM 446 O CYS A 61 26.813 -39.964 51.031 1.00 48.82 O
447
+ ATOM 447 CB CYS A 61 30.003 -39.640 52.236 1.00 49.92 C
448
+ ATOM 448 SG CYS A 61 31.174 -38.422 52.866 1.00 54.49 S
449
+ ATOM 449 N GLU A 62 28.451 -41.386 50.407 1.00 49.78 N
450
+ ATOM 450 CA GLU A 62 27.628 -42.580 50.268 1.00 49.13 C
451
+ ATOM 451 C GLU A 62 27.806 -43.408 51.545 1.00 46.68 C
452
+ ATOM 452 O GLU A 62 28.908 -43.468 52.094 1.00 44.85 O
453
+ ATOM 453 CB GLU A 62 28.122 -43.371 49.062 1.00 53.83 C
454
+ ATOM 454 CG GLU A 62 27.047 -43.959 48.167 1.00 66.40 C
455
+ ATOM 455 CD GLU A 62 27.587 -44.420 46.815 1.00 79.23 C
456
+ ATOM 456 OE1 GLU A 62 28.721 -44.039 46.431 1.00 81.98 O
457
+ ATOM 457 OE2 GLU A 62 26.866 -45.169 46.123 1.00 82.42 O
458
+ ATOM 458 N SER A 63 26.735 -44.037 52.021 1.00 43.23 N
459
+ ATOM 459 CA SER A 63 26.801 -44.833 53.253 1.00 43.78 C
460
+ ATOM 460 C SER A 63 27.246 -46.270 52.990 1.00 44.67 C
461
+ ATOM 461 O SER A 63 26.897 -46.850 51.958 1.00 42.17 O
462
+ ATOM 462 CB SER A 63 25.467 -44.795 54.009 1.00 43.68 C
463
+ ATOM 463 OG SER A 63 24.384 -45.164 53.182 1.00 41.92 O
464
+ ATOM 464 N CYS A 64 28.015 -46.827 53.932 1.00 47.58 N
465
+ ATOM 465 CA CYS A 64 28.592 -48.175 53.814 1.00 49.39 C
466
+ ATOM 466 C CYS A 64 27.536 -49.267 53.693 1.00 51.99 C
467
+ ATOM 467 O CYS A 64 26.433 -49.144 54.228 1.00 56.87 O
468
+ ATOM 468 CB CYS A 64 29.519 -48.488 54.992 1.00 50.91 C
469
+ ATOM 469 SG CYS A 64 30.917 -47.357 55.183 1.00 65.42 S
470
+ ATOM 470 N ARG A 65 27.897 -50.320 52.964 1.00 54.37 N
471
+ ATOM 471 CA ARG A 65 27.089 -51.524 52.785 1.00 54.71 C
472
+ ATOM 472 C ARG A 65 27.051 -52.314 54.093 1.00 55.94 C
473
+ ATOM 473 O ARG A 65 28.080 -52.460 54.759 1.00 57.58 O
474
+ ATOM 474 CB ARG A 65 27.705 -52.353 51.645 1.00 56.43 C
475
+ ATOM 475 CG ARG A 65 27.107 -53.723 51.355 1.00 56.61 C
476
+ ATOM 476 CD ARG A 65 27.312 -54.131 49.897 1.00 61.58 C
477
+ ATOM 477 NE ARG A 65 28.701 -54.011 49.437 1.00 64.97 N
478
+ ATOM 478 CZ ARG A 65 29.096 -53.372 48.331 1.00 64.54 C
479
+ ATOM 479 NH1 ARG A 65 28.219 -52.769 47.529 1.00 61.04 N
480
+ ATOM 480 NH2 ARG A 65 30.389 -53.336 48.024 1.00 64.45 N
481
+ ATOM 481 N HIS A 66 25.867 -52.801 54.462 1.00 58.74 N
482
+ ATOM 482 CA HIS A 66 25.713 -53.653 55.645 1.00 66.41 C
483
+ ATOM 483 C HIS A 66 25.660 -55.141 55.266 1.00 71.30 C
484
+ ATOM 484 O HIS A 66 25.166 -55.500 54.189 1.00 69.47 O
485
+ ATOM 485 CB HIS A 66 24.484 -53.235 56.463 1.00 67.13 C
486
+ ATOM 486 CG HIS A 66 24.449 -53.819 57.843 1.00 72.82 C
487
+ ATOM 487 ND1 HIS A 66 25.421 -53.559 58.787 1.00 75.87 N
488
+ ATOM 488 CD2 HIS A 66 23.560 -54.650 58.437 1.00 69.89 C
489
+ ATOM 489 CE1 HIS A 66 25.133 -54.207 59.902 1.00 73.90 C
490
+ ATOM 490 NE2 HIS A 66 24.008 -54.875 59.716 1.00 70.47 N
491
+ ATOM 491 N CYS A 67 26.177 -55.995 56.152 1.00 77.80 N
492
+ ATOM 492 CA CYS A 67 26.258 -57.425 55.880 1.00 82.80 C
493
+ ATOM 493 C CYS A 67 25.002 -58.147 56.349 1.00 81.05 C
494
+ ATOM 494 O CYS A 67 24.649 -58.099 57.527 1.00 79.48 O
495
+ ATOM 495 CB CYS A 67 27.528 -58.044 56.489 1.00 85.21 C
496
+ ATOM 496 SG CYS A 67 29.113 -57.344 55.932 1.00 88.88 S
497
+ ATOM 497 N ASN A 68 24.305 -58.817 55.438 0.01 0.00 N
498
+ ATOM 498 CA ASN A 68 23.006 -59.366 55.798 0.01 0.00 C
499
+ ATOM 499 C ASN A 68 23.059 -60.862 56.098 0.01 0.00 C
500
+ ATOM 500 O ASN A 68 22.148 -61.415 56.715 0.01 0.00 O
501
+ ATOM 501 CB ASN A 68 22.006 -59.060 54.704 0.01 0.00 C
502
+ ATOM 502 CG ASN A 68 21.743 -57.572 54.588 0.01 0.00 C
503
+ ATOM 503 OD1 ASN A 68 21.632 -56.856 55.592 0.01 0.00 O
504
+ ATOM 504 ND2 ASN A 68 21.641 -57.099 53.372 0.01 0.00 N
505
+ ATOM 505 N SER A 69 24.137 -61.508 55.667 0.01 0.00 N
506
+ ATOM 506 CA SER A 69 24.338 -62.941 55.808 0.01 0.00 C
507
+ ATOM 507 C SER A 69 25.438 -63.286 56.811 0.01 0.00 C
508
+ ATOM 508 O SER A 69 25.884 -64.433 56.884 0.01 0.00 O
509
+ ATOM 509 CB SER A 69 24.685 -63.516 54.455 0.01 0.00 C
510
+ ATOM 510 OG SER A 69 25.862 -62.927 53.951 0.01 0.00 O
511
+ ATOM 511 N GLY A 70 25.900 -62.293 57.571 0.01 0.00 N
512
+ ATOM 512 CA GLY A 70 26.999 -62.525 58.498 0.01 0.00 C
513
+ ATOM 513 C GLY A 70 27.687 -61.243 58.958 0.01 0.00 C
514
+ ATOM 514 O GLY A 70 27.085 -60.175 59.038 0.01 0.00 O
515
+ ATOM 515 N LEU A 71 28.945 -61.391 59.342 0.01 0.00 N
516
+ ATOM 516 CA LEU A 71 29.771 -60.312 59.864 0.01 0.00 C
517
+ ATOM 517 C LEU A 71 30.598 -59.722 58.741 0.01 0.00 C
518
+ ATOM 518 O LEU A 71 30.728 -60.332 57.682 0.01 0.00 O
519
+ ATOM 519 CB LEU A 71 30.687 -60.827 60.976 0.01 0.00 C
520
+ ATOM 520 CG LEU A 71 29.987 -61.498 62.193 0.01 0.00 C
521
+ ATOM 521 CD1 LEU A 71 31.055 -62.010 63.153 0.01 0.00 C
522
+ ATOM 522 CD2 LEU A 71 29.060 -60.501 62.897 0.01 0.00 C
523
+ ATOM 523 N LEU A 72 31.157 -58.536 58.955 0.01 0.00 N
524
+ ATOM 524 CA LEU A 72 31.963 -57.932 57.907 0.01 0.00 C
525
+ ATOM 525 C LEU A 72 33.056 -58.828 57.429 0.01 0.00 C
526
+ ATOM 526 O LEU A 72 33.904 -59.279 58.197 0.01 0.00 O
527
+ ATOM 527 CB LEU A 72 32.518 -56.591 58.422 0.01 0.00 C
528
+ ATOM 528 CG LEU A 72 31.479 -55.426 58.454 0.01 0.00 C
529
+ ATOM 529 CD1 LEU A 72 31.922 -54.295 59.344 0.01 0.00 C
530
+ ATOM 530 CD2 LEU A 72 31.395 -54.836 57.046 0.01 0.00 C
531
+ ATOM 531 N VAL A 73 33.066 -59.017 56.106 1.00 66.84 N
532
+ ATOM 532 CA VAL A 73 34.084 -59.851 55.479 1.00 74.21 C
533
+ ATOM 533 C VAL A 73 35.304 -59.029 55.082 1.00 77.92 C
534
+ ATOM 534 O VAL A 73 36.422 -59.541 55.035 1.00 77.28 O
535
+ ATOM 535 CB VAL A 73 33.513 -60.672 54.293 1.00 78.24 C
536
+ ATOM 536 CG1 VAL A 73 34.543 -61.656 53.746 1.00 80.91 C
537
+ ATOM 537 CG2 VAL A 73 32.240 -61.414 54.700 1.00 74.54 C
538
+ ATOM 538 N ARG A 74 35.081 -57.750 54.797 1.00 83.81 N
539
+ ATOM 539 CA ARG A 74 36.146 -56.782 54.453 1.00 81.63 C
540
+ ATOM 540 C ARG A 74 35.665 -55.341 54.692 1.00 71.48 C
541
+ ATOM 541 O ARG A 74 34.720 -54.884 54.047 1.00 63.49 O
542
+ ATOM 542 CB ARG A 74 36.643 -56.952 53.014 1.00 85.22 C
543
+ ATOM 543 CG ARG A 74 38.113 -56.598 52.848 1.00 90.77 C
544
+ ATOM 544 CD ARG A 74 38.377 -55.783 51.591 1.00 89.77 C
545
+ ATOM 545 NE ARG A 74 37.966 -54.384 51.745 1.00 86.05 N
546
+ ATOM 546 CZ ARG A 74 38.427 -53.367 51.017 1.00 85.13 C
547
+ ATOM 547 NH1 ARG A 74 39.334 -53.560 50.066 1.00 88.10 N
548
+ ATOM 548 NH2 ARG A 74 37.983 -52.141 51.247 1.00 82.02 N
549
+ ATOM 549 N ASN A 75 36.344 -54.638 55.602 1.00 65.67 N
550
+ ATOM 550 CA ASN A 75 35.842 -53.398 56.218 1.00 60.45 C
551
+ ATOM 551 C ASN A 75 35.681 -52.184 55.311 1.00 60.54 C
552
+ ATOM 552 O ASN A 75 36.420 -52.020 54.340 1.00 69.59 O
553
+ ATOM 553 CB ASN A 75 36.701 -53.023 57.428 1.00 61.27 C
554
+ ATOM 554 CG ASN A 75 36.349 -53.823 58.667 1.00 69.29 C
555
+ ATOM 555 OD1 ASN A 75 35.174 -54.099 58.936 1.00 74.63 O
556
+ ATOM 556 ND2 ASN A 75 37.367 -54.196 59.434 1.00 74.34 N
557
+ ATOM 557 N CYS A 76 34.700 -51.347 55.655 1.00 55.93 N
558
+ ATOM 558 CA CYS A 76 34.456 -50.060 55.004 1.00 49.80 C
559
+ ATOM 559 C CYS A 76 35.437 -49.002 55.513 1.00 43.02 C
560
+ ATOM 560 O CYS A 76 35.622 -48.837 56.724 1.00 40.55 O
561
+ ATOM 561 CB CYS A 76 33.013 -49.596 55.259 1.00 55.76 C
562
+ ATOM 562 SG CYS A 76 32.466 -48.235 54.195 1.00 63.64 S
563
+ ATOM 563 N THR A 77 36.078 -48.308 54.579 1.00 39.38 N
564
+ ATOM 564 CA THR A 77 36.901 -47.143 54.897 1.00 42.25 C
565
+ ATOM 565 C THR A 77 36.322 -45.923 54.189 1.00 44.86 C
566
+ ATOM 566 O THR A 77 35.523 -46.070 53.257 1.00 44.95 O
567
+ ATOM 567 CB THR A 77 38.384 -47.330 54.502 1.00 41.87 C
568
+ ATOM 568 OG1 THR A 77 38.475 -47.809 53.156 1.00 43.32 O
569
+ ATOM 569 CG2 THR A 77 39.093 -48.302 55.448 1.00 41.59 C
570
+ ATOM 570 N ILE A 78 36.724 -44.724 54.618 1.00 44.44 N
571
+ ATOM 571 CA ILE A 78 36.235 -43.463 54.013 1.00 44.03 C
572
+ ATOM 572 C ILE A 78 36.441 -43.377 52.485 1.00 47.15 C
573
+ ATOM 573 O ILE A 78 35.781 -42.579 51.816 1.00 49.25 O
574
+ ATOM 574 CB ILE A 78 36.768 -42.197 54.737 1.00 41.09 C
575
+ ATOM 575 CG1 ILE A 78 38.300 -42.155 54.749 1.00 39.98 C
576
+ ATOM 576 CG2 ILE A 78 36.211 -42.118 56.157 1.00 40.65 C
577
+ ATOM 577 CD1 ILE A 78 38.882 -40.767 54.905 1.00 39.00 C
578
+ ATOM 578 N THR A 79 37.322 -44.231 51.952 1.00 49.32 N
579
+ ATOM 579 CA THR A 79 37.622 -44.301 50.509 1.00 51.93 C
580
+ ATOM 580 C THR A 79 36.905 -45.418 49.728 1.00 51.60 C
581
+ ATOM 581 O THR A 79 36.670 -45.276 48.530 1.00 54.00 O
582
+ ATOM 582 CB THR A 79 39.145 -44.371 50.234 1.00 52.48 C
583
+ ATOM 583 OG1 THR A 79 39.787 -45.181 51.228 1.00 58.92 O
584
+ ATOM 584 CG2 THR A 79 39.753 -42.985 50.271 1.00 55.14 C
585
+ ATOM 585 N ALA A 80 36.568 -46.522 50.394 1.00 49.85 N
586
+ ATOM 586 CA ALA A 80 35.894 -47.663 49.741 1.00 48.15 C
587
+ ATOM 587 C ALA A 80 34.924 -48.360 50.694 1.00 44.68 C
588
+ ATOM 588 O ALA A 80 35.232 -48.505 51.883 1.00 45.22 O
589
+ ATOM 589 CB ALA A 80 36.926 -48.654 49.218 1.00 46.44 C
590
+ ATOM 590 N ASN A 81 33.765 -48.799 50.198 1.00 40.98 N
591
+ ATOM 591 CA ASN A 81 32.833 -49.486 51.106 1.00 49.57 C
592
+ ATOM 592 C ASN A 81 33.115 -50.955 51.361 1.00 52.98 C
593
+ ATOM 593 O ASN A 81 33.954 -51.569 50.696 1.00 53.11 O
594
+ ATOM 594 CB ASN A 81 31.341 -49.212 50.821 1.00 53.13 C
595
+ ATOM 595 CG ASN A 81 30.831 -49.864 49.557 1.00 53.75 C
596
+ ATOM 596 OD1 ASN A 81 31.509 -49.903 48.533 1.00 57.85 O
597
+ ATOM 597 ND2 ASN A 81 29.597 -50.344 49.615 1.00 52.57 N
598
+ ATOM 598 N ALA A 82 32.413 -51.486 52.362 1.00 55.14 N
599
+ ATOM 599 CA ALA A 82 32.509 -52.874 52.794 1.00 54.98 C
600
+ ATOM 600 C ALA A 82 32.172 -53.883 51.694 1.00 58.56 C
601
+ ATOM 601 O ALA A 82 31.435 -53.578 50.744 1.00 58.92 O
602
+ ATOM 602 CB ALA A 82 31.614 -53.095 54.004 1.00 54.14 C
603
+ ATOM 603 N GLU A 83 32.745 -55.076 51.829 1.00 59.92 N
604
+ ATOM 604 CA GLU A 83 32.436 -56.210 50.969 1.00 64.08 C
605
+ ATOM 605 C GLU A 83 32.131 -57.398 51.874 1.00 64.69 C
606
+ ATOM 606 O GLU A 83 32.928 -57.725 52.758 1.00 64.51 O
607
+ ATOM 607 CB GLU A 83 33.607 -56.503 50.027 1.00 69.55 C
608
+ ATOM 608 CG GLU A 83 33.818 -55.444 48.950 1.00 75.64 C
609
+ ATOM 609 CD GLU A 83 35.282 -55.227 48.615 1.00 86.02 C
610
+ ATOM 610 OE1 GLU A 83 35.921 -56.156 48.073 1.00 92.27 O
611
+ ATOM 611 OE2 GLU A 83 35.795 -54.118 48.887 1.00 86.73 O
612
+ ATOM 612 N CYS A 84 30.968 -58.016 51.660 1.00 69.83 N
613
+ ATOM 613 CA CYS A 84 30.435 -59.057 52.555 1.00 73.87 C
614
+ ATOM 614 C CYS A 84 30.616 -60.480 52.027 1.00 71.80 C
615
+ ATOM 615 O CYS A 84 31.323 -60.711 51.047 1.00 70.22 O
616
+ ATOM 616 OXT CYS A 84 30.063 -61.396 52.570 1.00 0.00 O
617
+ ATOM 617 CB CYS A 84 28.956 -58.802 52.864 1.00 77.27 C
618
+ ATOM 618 SG CYS A 84 28.588 -57.140 53.476 1.00 80.02 S
619
+ TER 619 CYS A 84
620
+ END
sabdab_v0.5.2_diffab_chothia/raw_pdbs/3416_8ds5_A.pdb ADDED
@@ -0,0 +1,747 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N SER A 6 -5.974 -40.865 12.252 1.00 73.06 N
2
+ ATOM 2 CA SER A 6 -7.384 -41.263 12.178 1.00 72.86 C
3
+ ATOM 3 C SER A 6 -8.246 -40.608 13.297 1.00 71.37 C
4
+ ATOM 4 O SER A 6 -9.100 -39.770 12.982 1.00 71.91 O
5
+ ATOM 5 CB SER A 6 -7.509 -42.786 12.211 1.00 74.62 C
6
+ ATOM 6 OG SER A 6 -7.065 -43.293 13.458 1.00 77.73 O
7
+ ATOM 7 N CYS A 7 -7.996 -40.961 14.574 1.00 69.33 N
8
+ ATOM 8 CA CYS A 7 -8.727 -40.460 15.751 1.00 67.96 C
9
+ ATOM 9 C CYS A 7 -7.775 -39.681 16.675 1.00 66.80 C
10
+ ATOM 10 O CYS A 7 -6.567 -39.923 16.644 1.00 66.94 O
11
+ ATOM 11 CB CYS A 7 -9.369 -41.625 16.515 1.00 67.66 C
12
+ ATOM 12 SG CYS A 7 -10.716 -42.464 15.638 1.00 68.45 S
13
+ ATOM 13 N PRO A 8 -8.311 -38.826 17.571 1.00 65.52 N
14
+ ATOM 14 CA PRO A 8 -7.436 -38.147 18.530 1.00 64.69 C
15
+ ATOM 15 C PRO A 8 -6.798 -39.138 19.545 1.00 63.38 C
16
+ ATOM 16 O PRO A 8 -7.077 -40.340 19.517 1.00 63.27 O
17
+ ATOM 17 CB PRO A 8 -8.349 -37.105 19.198 1.00 65.63 C
18
+ ATOM 18 CG PRO A 8 -9.716 -37.373 18.712 1.00 66.24 C
19
+ ATOM 19 CD PRO A 8 -9.621 -38.161 17.462 1.00 64.79 C
20
+ ATOM 20 N GLU A 9 -5.912 -38.636 20.417 1.00 62.12 N
21
+ ATOM 21 CA GLU A 9 -5.225 -39.483 21.395 1.00 61.03 C
22
+ ATOM 22 C GLU A 9 -6.232 -40.097 22.363 1.00 59.17 C
23
+ ATOM 23 O GLU A 9 -7.224 -39.456 22.706 1.00 59.13 O
24
+ ATOM 24 CB GLU A 9 -4.170 -38.672 22.177 1.00 63.87 C
25
+ ATOM 25 CG GLU A 9 -2.964 -39.478 22.631 1.00 69.88 C
26
+ ATOM 26 CD GLU A 9 -1.956 -39.748 21.529 1.00 77.48 C
27
+ ATOM 27 OE1 GLU A 9 -1.470 -38.770 20.913 1.00 78.93 O
28
+ ATOM 28 OE2 GLU A 9 -1.644 -40.938 21.291 1.00 80.09 O
29
+ ATOM 29 N ARG A 10 -5.975 -41.341 22.801 1.00 57.57 N
30
+ ATOM 30 CA ARG A 10 -6.867 -42.097 23.690 1.00 56.46 C
31
+ ATOM 31 C ARG A 10 -8.245 -42.359 23.055 1.00 54.51 C
32
+ ATOM 32 O ARG A 10 -9.207 -42.593 23.773 1.00 54.16 O
33
+ ATOM 33 CB ARG A 10 -6.988 -41.430 25.081 1.00 58.23 C
34
+ ATOM 34 CG ARG A 10 -5.668 -41.418 25.831 1.00 62.07 C
35
+ ATOM 35 CD ARG A 10 -5.728 -40.692 27.156 1.00 66.06 C
36
+ ATOM 36 NE ARG A 10 -4.508 -40.925 27.934 1.00 69.62 N
37
+ ATOM 37 CZ ARG A 10 -4.242 -40.364 29.113 1.00 71.98 C
38
+ ATOM 38 NH1 ARG A 10 -5.110 -39.519 29.669 1.00 71.17 N
39
+ ATOM 39 NH2 ARG A 10 -3.108 -40.646 29.748 1.00 72.22 N
40
+ ATOM 40 N HIS A 11 -8.323 -42.352 21.715 1.00 53.27 N
41
+ ATOM 41 CA HIS A 11 -9.535 -42.633 20.951 1.00 52.71 C
42
+ ATOM 42 C HIS A 11 -9.259 -43.757 19.959 1.00 52.50 C
43
+ ATOM 43 O HIS A 11 -8.111 -44.006 19.617 1.00 52.71 O
44
+ ATOM 44 CB HIS A 11 -10.012 -41.402 20.177 1.00 52.68 C
45
+ ATOM 45 CG HIS A 11 -10.715 -40.383 21.003 1.00 53.97 C
46
+ ATOM 46 ND1 HIS A 11 -10.047 -39.643 21.955 1.00 55.53 N
47
+ ATOM 47 CD2 HIS A 11 -11.992 -39.952 20.930 1.00 55.04 C
48
+ ATOM 48 CE1 HIS A 11 -10.940 -38.814 22.460 1.00 56.07 C
49
+ ATOM 49 NE2 HIS A 11 -12.127 -38.963 21.867 1.00 56.13 N
50
+ ATOM 50 N TYR A 12 -10.308 -44.426 19.486 1.00 52.14 N
51
+ ATOM 51 CA TYR A 12 -10.173 -45.519 18.535 1.00 52.43 C
52
+ ATOM 52 C TYR A 12 -11.297 -45.477 17.512 1.00 54.90 C
53
+ ATOM 53 O TYR A 12 -12.392 -44.989 17.802 1.00 54.95 O
54
+ ATOM 54 CB TYR A 12 -10.153 -46.877 19.266 1.00 50.72 C
55
+ ATOM 55 CG TYR A 12 -11.482 -47.264 19.877 1.00 49.26 C
56
+ ATOM 56 CD1 TYR A 12 -11.897 -46.728 21.088 1.00 48.98 C
57
+ ATOM 57 CD2 TYR A 12 -12.301 -48.203 19.269 1.00 49.28 C
58
+ ATOM 58 CE1 TYR A 12 -13.098 -47.107 21.672 1.00 49.19 C
59
+ ATOM 59 CE2 TYR A 12 -13.525 -48.560 19.821 1.00 49.56 C
60
+ ATOM 60 CZ TYR A 12 -13.924 -48.006 21.023 1.00 49.73 C
61
+ ATOM 61 OH TYR A 12 -15.130 -48.357 21.581 1.00 50.17 O
62
+ ATOM 62 N TRP A 13 -11.022 -45.991 16.313 1.00 56.77 N
63
+ ATOM 63 CA TRP A 13 -12.002 -46.051 15.242 1.00 59.20 C
64
+ ATOM 64 C TRP A 13 -12.916 -47.250 15.506 1.00 60.64 C
65
+ ATOM 65 O TRP A 13 -12.429 -48.371 15.612 1.00 60.96 O
66
+ ATOM 66 CB TRP A 13 -11.279 -46.205 13.902 1.00 59.99 C
67
+ ATOM 67 CG TRP A 13 -12.151 -46.027 12.701 1.00 61.60 C
68
+ ATOM 68 CD1 TRP A 13 -12.415 -46.953 11.735 1.00 62.86 C
69
+ ATOM 69 CD2 TRP A 13 -12.795 -44.815 12.286 1.00 62.41 C
70
+ ATOM 70 NE1 TRP A 13 -13.190 -46.395 10.746 1.00 63.61 N
71
+ ATOM 71 CE2 TRP A 13 -13.440 -45.082 11.061 1.00 63.44 C
72
+ ATOM 72 CE3 TRP A 13 -12.882 -43.528 12.828 1.00 63.19 C
73
+ ATOM 73 CZ2 TRP A 13 -14.170 -44.112 10.379 1.00 64.44 C
74
+ ATOM 74 CZ3 TRP A 13 -13.647 -42.585 12.179 1.00 64.24 C
75
+ ATOM 75 CH2 TRP A 13 -14.272 -42.874 10.963 1.00 64.68 C
76
+ ATOM 76 N ALA A 14 -14.222 -47.010 15.658 1.00 61.42 N
77
+ ATOM 77 CA ALA A 14 -15.206 -48.050 15.933 1.00 62.76 C
78
+ ATOM 78 C ALA A 14 -16.257 -48.129 14.842 1.00 64.00 C
79
+ ATOM 79 O ALA A 14 -16.616 -47.103 14.254 1.00 64.24 O
80
+ ATOM 80 CB ALA A 14 -15.904 -47.756 17.247 1.00 62.94 C
81
+ ATOM 81 N GLN A 15 -16.790 -49.342 14.605 1.00 64.61 N
82
+ ATOM 82 CA GLN A 15 -17.878 -49.577 13.647 1.00 65.74 C
83
+ ATOM 83 C GLN A 15 -17.596 -49.039 12.243 1.00 66.42 C
84
+ ATOM 84 O GLN A 15 -18.540 -48.898 11.462 1.00 66.93 O
85
+ ATOM 85 CB GLN A 15 -19.190 -48.930 14.154 1.00 67.61 C
86
+ ATOM 86 CG GLN A 15 -19.539 -49.200 15.632 1.00 71.47 C
87
+ ATOM 87 CD GLN A 15 -20.419 -50.415 15.846 1.00 76.36 C
88
+ ATOM 88 OE1 GLN A 15 -21.213 -50.816 14.984 1.00 77.88 O
89
+ ATOM 89 NE2 GLN A 15 -20.323 -51.021 17.023 1.00 77.23 N
90
+ ATOM 90 N GLY A 16 -16.328 -48.737 11.904 1.00 66.33 N
91
+ ATOM 91 CA GLY A 16 -15.995 -48.155 10.598 1.00 66.61 C
92
+ ATOM 92 C GLY A 16 -16.666 -46.787 10.371 1.00 66.61 C
93
+ ATOM 93 O GLY A 16 -16.901 -46.435 9.222 1.00 67.22 O
94
+ ATOM 94 N LYS A 17 -16.974 -46.015 11.440 1.00 65.99 N
95
+ ATOM 95 CA LYS A 17 -17.678 -44.732 11.261 1.00 65.73 C
96
+ ATOM 96 C LYS A 17 -17.580 -43.721 12.441 1.00 64.32 C
97
+ ATOM 97 O LYS A 17 -17.880 -42.544 12.222 1.00 64.73 O
98
+ ATOM 98 CB LYS A 17 -19.169 -44.981 10.913 1.00 68.33 C
99
+ ATOM 99 CG LYS A 17 -19.827 -46.151 11.682 1.00 73.50 C
100
+ ATOM 100 CD LYS A 17 -21.097 -45.827 12.471 1.00 78.72 C
101
+ ATOM 101 CE LYS A 17 -22.163 -46.876 12.205 1.00 83.10 C
102
+ ATOM 102 NZ LYS A 17 -23.362 -46.741 13.082 1.00 85.67 N
103
+ ATOM 103 N LEU A 18 -17.173 -44.141 13.647 1.00 62.58 N
104
+ ATOM 104 CA LEU A 18 -17.056 -43.229 14.794 1.00 61.32 C
105
+ ATOM 105 C LEU A 18 -15.675 -43.282 15.429 1.00 59.70 C
106
+ ATOM 106 O LEU A 18 -15.028 -44.317 15.390 1.00 59.82 O
107
+ ATOM 107 CB LEU A 18 -18.066 -43.622 15.890 1.00 61.50 C
108
+ ATOM 108 CG LEU A 18 -19.522 -43.728 15.498 1.00 62.91 C
109
+ ATOM 109 CD1 LEU A 18 -20.339 -44.233 16.650 1.00 63.35 C
110
+ ATOM 110 CD2 LEU A 18 -20.047 -42.414 15.033 1.00 63.66 C
111
+ ATOM 111 N CYS A 19 -15.254 -42.188 16.074 1.00 58.09 N
112
+ ATOM 112 CA CYS A 19 -14.034 -42.164 16.879 1.00 57.05 C
113
+ ATOM 113 C CYS A 19 -14.557 -42.180 18.306 1.00 54.38 C
114
+ ATOM 114 O CYS A 19 -15.232 -41.239 18.683 1.00 54.36 O
115
+ ATOM 115 CB CYS A 19 -13.185 -40.921 16.618 1.00 59.28 C
116
+ ATOM 116 SG CYS A 19 -12.107 -41.035 15.158 1.00 67.97 S
117
+ ATOM 117 N CYS A 20 -14.317 -43.256 19.078 1.00 51.90 N
118
+ ATOM 118 CA CYS A 20 -14.776 -43.366 20.469 1.00 49.90 C
119
+ ATOM 119 C CYS A 20 -13.621 -43.162 21.414 1.00 47.80 C
120
+ ATOM 120 O CYS A 20 -12.502 -43.501 21.066 1.00 47.32 O
121
+ ATOM 121 CB CYS A 20 -15.405 -44.736 20.717 1.00 50.16 C
122
+ ATOM 122 SG CYS A 20 -16.788 -45.140 19.634 1.00 52.12 S
123
+ ATOM 123 N GLN A 21 -13.895 -42.704 22.644 1.00 46.40 N
124
+ ATOM 124 CA GLN A 21 -12.844 -42.625 23.656 1.00 45.77 C
125
+ ATOM 125 C GLN A 21 -12.609 -44.048 24.126 1.00 44.08 C
126
+ ATOM 126 O GLN A 21 -13.567 -44.798 24.317 1.00 44.02 O
127
+ ATOM 127 CB GLN A 21 -13.255 -41.795 24.879 1.00 48.26 C
128
+ ATOM 128 CG GLN A 21 -12.946 -40.320 24.761 1.00 53.70 C
129
+ ATOM 129 CD GLN A 21 -14.111 -39.449 25.144 1.00 59.85 C
130
+ ATOM 130 OE1 GLN A 21 -14.715 -39.634 26.215 1.00 62.42 O
131
+ ATOM 131 NE2 GLN A 21 -14.437 -38.460 24.301 1.00 60.59 N
132
+ ATOM 132 N MET A 22 -11.349 -44.418 24.333 1.00 42.64 N
133
+ ATOM 133 CA MET A 22 -11.011 -45.735 24.855 1.00 41.98 C
134
+ ATOM 134 C MET A 22 -11.472 -45.849 26.322 1.00 40.72 C
135
+ ATOM 135 O MET A 22 -11.761 -44.844 26.988 1.00 40.76 O
136
+ ATOM 136 CB MET A 22 -9.484 -45.954 24.810 1.00 42.81 C
137
+ ATOM 137 CG MET A 22 -8.899 -45.977 23.426 1.00 46.20 C
138
+ ATOM 138 SD MET A 22 -7.128 -46.288 23.565 1.00 53.72 S
139
+ ATOM 139 CE MET A 22 -6.572 -45.664 22.070 1.00 53.39 C
140
+ ATOM 140 N CYS A 23 -11.495 -47.070 26.825 1.00 39.61 N
141
+ ATOM 141 CA CYS A 23 -11.795 -47.335 28.224 1.00 38.88 C
142
+ ATOM 142 C CYS A 23 -10.653 -46.866 29.077 1.00 37.91 C
143
+ ATOM 143 O CYS A 23 -9.502 -47.022 28.706 1.00 37.62 O
144
+ ATOM 144 CB CYS A 23 -12.051 -48.820 28.446 1.00 39.55 C
145
+ ATOM 145 SG CYS A 23 -13.590 -49.416 27.722 1.00 43.02 S
146
+ ATOM 146 N GLU A 24 -10.970 -46.309 30.231 1.00 37.48 N
147
+ ATOM 147 CA GLU A 24 -9.962 -45.876 31.181 1.00 37.69 C
148
+ ATOM 148 C GLU A 24 -9.295 -47.101 31.837 1.00 36.90 C
149
+ ATOM 149 O GLU A 24 -9.894 -48.182 31.879 1.00 36.51 O
150
+ ATOM 150 CB GLU A 24 -10.625 -45.015 32.278 1.00 41.04 C
151
+ ATOM 151 CG GLU A 24 -11.079 -43.644 31.783 1.00 48.20 C
152
+ ATOM 152 CD GLU A 24 -9.970 -42.618 31.671 1.00 58.61 C
153
+ ATOM 153 OE1 GLU A 24 -9.121 -42.568 32.591 1.00 61.16 O
154
+ ATOM 154 OE2 GLU A 24 -9.957 -41.846 30.681 1.00 62.61 O
155
+ ATOM 155 N PRO A 25 -8.072 -46.934 32.385 1.00 36.37 N
156
+ ATOM 156 CA PRO A 25 -7.425 -47.998 33.157 1.00 35.97 C
157
+ ATOM 157 C PRO A 25 -8.344 -48.396 34.331 1.00 35.53 C
158
+ ATOM 158 O PRO A 25 -8.999 -47.535 34.904 1.00 35.57 O
159
+ ATOM 159 CB PRO A 25 -6.155 -47.330 33.683 1.00 36.75 C
160
+ ATOM 160 CG PRO A 25 -5.876 -46.223 32.731 1.00 37.29 C
161
+ ATOM 161 CD PRO A 25 -7.202 -45.746 32.254 1.00 35.89 C
162
+ ATOM 162 N GLY A 26 -8.439 -49.681 34.641 1.00 35.11 N
163
+ ATOM 163 CA GLY A 26 -9.326 -50.158 35.704 1.00 35.00 C
164
+ ATOM 164 C GLY A 26 -10.755 -50.443 35.211 1.00 34.56 C
165
+ ATOM 165 O GLY A 26 -11.617 -50.727 36.033 1.00 34.61 O
166
+ ATOM 166 N THR A 27 -11.007 -50.374 33.893 1.00 34.09 N
167
+ ATOM 167 CA THR A 27 -12.310 -50.680 33.286 1.00 34.21 C
168
+ ATOM 168 C THR A 27 -12.090 -51.606 32.049 1.00 34.86 C
169
+ ATOM 169 O THR A 27 -10.952 -51.873 31.673 1.00 35.20 O
170
+ ATOM 170 CB THR A 27 -13.078 -49.372 32.903 1.00 34.51 C
171
+ ATOM 171 OG1 THR A 27 -12.489 -48.803 31.732 1.00 35.17 O
172
+ ATOM 172 CG2 THR A 27 -13.130 -48.351 34.026 1.00 34.26 C
173
+ ATOM 173 N PHE A 28 -13.173 -52.113 31.444 1.00 35.03 N
174
+ ATOM 174 CA PHE A 28 -13.108 -52.933 30.238 1.00 35.94 C
175
+ ATOM 175 C PHE A 28 -14.305 -52.585 29.359 1.00 37.31 C
176
+ ATOM 176 O PHE A 28 -15.342 -52.161 29.858 1.00 37.43 O
177
+ ATOM 177 CB PHE A 28 -13.064 -54.439 30.543 1.00 35.56 C
178
+ ATOM 178 CG PHE A 28 -14.328 -55.004 31.134 1.00 36.10 C
179
+ ATOM 179 CD1 PHE A 28 -14.560 -54.946 32.501 1.00 36.73 C
180
+ ATOM 180 CD2 PHE A 28 -15.245 -55.674 30.341 1.00 36.90 C
181
+ ATOM 181 CE1 PHE A 28 -15.739 -55.446 33.045 1.00 37.38 C
182
+ ATOM 182 CE2 PHE A 28 -16.412 -56.202 30.892 1.00 37.46 C
183
+ ATOM 183 CZ PHE A 28 -16.653 -56.080 32.238 1.00 37.15 C
184
+ ATOM 184 N LEU A 29 -14.167 -52.802 28.059 1.00 38.41 N
185
+ ATOM 185 CA LEU A 29 -15.194 -52.456 27.085 1.00 39.89 C
186
+ ATOM 186 C LEU A 29 -16.399 -53.387 27.053 1.00 41.41 C
187
+ ATOM 187 O LEU A 29 -16.256 -54.597 26.876 1.00 41.89 O
188
+ ATOM 188 CB LEU A 29 -14.571 -52.373 25.678 1.00 40.12 C
189
+ ATOM 189 CG LEU A 29 -15.374 -51.599 24.603 1.00 41.63 C
190
+ ATOM 190 CD1 LEU A 29 -14.721 -50.293 24.300 1.00 42.26 C
191
+ ATOM 191 CD2 LEU A 29 -15.476 -52.385 23.358 1.00 42.19 C
192
+ ATOM 192 N VAL A 30 -17.596 -52.808 27.198 1.00 42.07 N
193
+ ATOM 193 CA VAL A 30 -18.862 -53.527 27.100 1.00 43.37 C
194
+ ATOM 194 C VAL A 30 -19.528 -53.197 25.760 1.00 44.35 C
195
+ ATOM 195 O VAL A 30 -20.105 -54.075 25.122 1.00 44.45 O
196
+ ATOM 196 CB VAL A 30 -19.787 -53.161 28.270 1.00 44.46 C
197
+ ATOM 197 CG1 VAL A 30 -21.168 -53.798 28.087 1.00 45.15 C
198
+ ATOM 198 CG2 VAL A 30 -19.156 -53.587 29.587 1.00 45.09 C
199
+ ATOM 199 N LYS A 31 -19.480 -51.929 25.353 1.00 44.80 N
200
+ ATOM 200 CA LYS A 31 -20.092 -51.492 24.109 1.00 45.84 C
201
+ ATOM 201 C LYS A 31 -19.310 -50.299 23.557 1.00 45.76 C
202
+ ATOM 202 O LYS A 31 -18.775 -49.504 24.330 1.00 45.71 O
203
+ ATOM 203 CB LYS A 31 -21.556 -51.091 24.398 1.00 48.85 C
204
+ ATOM 204 CG LYS A 31 -22.395 -50.859 23.162 1.00 54.80 C
205
+ ATOM 205 CD LYS A 31 -23.787 -50.330 23.495 1.00 60.71 C
206
+ ATOM 206 CE LYS A 31 -24.462 -49.779 22.252 1.00 65.40 C
207
+ ATOM 207 NZ LYS A 31 -25.895 -49.448 22.490 1.00 68.45 N
208
+ ATOM 208 N ASP A 32 -19.232 -50.174 22.230 1.00 45.62 N
209
+ ATOM 209 CA ASP A 32 -18.593 -49.005 21.613 1.00 46.20 C
210
+ ATOM 210 C ASP A 32 -19.457 -47.761 21.896 1.00 46.65 C
211
+ ATOM 211 O ASP A 32 -20.654 -47.876 22.202 1.00 46.71 O
212
+ ATOM 212 CB ASP A 32 -18.504 -49.165 20.072 1.00 47.75 C
213
+ ATOM 213 CG ASP A 32 -17.504 -50.175 19.553 1.00 51.84 C
214
+ ATOM 214 OD1 ASP A 32 -16.453 -50.367 20.208 1.00 52.35 O
215
+ ATOM 215 OD2 ASP A 32 -17.750 -50.743 18.472 1.00 53.95 O
216
+ ATOM 216 N CYS A 33 -18.888 -46.559 21.701 1.00 46.80 N
217
+ ATOM 217 CA CYS A 33 -19.675 -45.328 21.799 1.00 47.30 C
218
+ ATOM 218 C CYS A 33 -20.723 -45.340 20.660 1.00 47.65 C
219
+ ATOM 219 O CYS A 33 -20.509 -45.987 19.626 1.00 47.78 O
220
+ ATOM 220 CB CYS A 33 -18.778 -44.089 21.732 1.00 48.04 C
221
+ ATOM 221 SG CYS A 33 -18.152 -43.685 20.071 1.00 52.11 S
222
+ ATOM 222 N ASP A 34 -21.865 -44.701 20.884 1.00 47.61 N
223
+ ATOM 223 CA ASP A 34 -22.917 -44.588 19.865 1.00 48.04 C
224
+ ATOM 224 C ASP A 34 -22.967 -43.154 19.251 1.00 47.89 C
225
+ ATOM 225 O ASP A 34 -23.841 -42.870 18.421 1.00 47.96 O
226
+ ATOM 226 CB ASP A 34 -24.285 -45.005 20.447 1.00 50.49 C
227
+ ATOM 227 CG ASP A 34 -24.741 -44.206 21.657 1.00 56.76 C
228
+ ATOM 228 OD1 ASP A 34 -23.947 -43.377 22.161 1.00 58.09 O
229
+ ATOM 229 OD2 ASP A 34 -25.875 -44.423 22.112 1.00 59.23 O
230
+ ATOM 230 N GLN A 35 -22.020 -42.264 19.643 1.00 47.38 N
231
+ ATOM 231 CA GLN A 35 -21.922 -40.895 19.153 1.00 47.28 C
232
+ ATOM 232 C GLN A 35 -20.444 -40.597 18.903 1.00 47.23 C
233
+ ATOM 233 O GLN A 35 -19.591 -40.990 19.695 1.00 47.09 O
234
+ ATOM 234 CB GLN A 35 -22.476 -39.910 20.196 1.00 48.18 C
235
+ ATOM 235 CG GLN A 35 -23.919 -40.139 20.578 1.00 49.88 C
236
+ ATOM 236 CD GLN A 35 -24.865 -39.595 19.561 1.00 53.09 C
237
+ ATOM 237 OE1 GLN A 35 -25.383 -38.485 19.706 1.00 54.48 O
238
+ ATOM 238 NE2 GLN A 35 -25.143 -40.348 18.513 1.00 53.26 N
239
+ ATOM 239 N HIS A 36 -20.150 -39.882 17.822 1.00 47.37 N
240
+ ATOM 240 CA HIS A 36 -18.780 -39.523 17.465 1.00 47.84 C
241
+ ATOM 241 C HIS A 36 -18.115 -38.696 18.577 1.00 47.75 C
242
+ ATOM 242 O HIS A 36 -18.716 -37.769 19.104 1.00 47.92 O
243
+ ATOM 243 CB HIS A 36 -18.790 -38.747 16.149 1.00 49.03 C
244
+ ATOM 244 CG HIS A 36 -17.453 -38.291 15.666 1.00 51.81 C
245
+ ATOM 245 ND1 HIS A 36 -16.403 -39.176 15.503 1.00 53.80 N
246
+ ATOM 246 CD2 HIS A 36 -17.067 -37.068 15.235 1.00 53.04 C
247
+ ATOM 247 CE1 HIS A 36 -15.403 -38.459 15.012 1.00 54.34 C
248
+ ATOM 248 NE2 HIS A 36 -15.758 -37.185 14.839 1.00 54.34 N
249
+ ATOM 249 N ARG A 37 -16.884 -39.055 18.927 1.00 47.36 N
250
+ ATOM 250 CA ARG A 37 -16.060 -38.432 19.959 1.00 47.42 C
251
+ ATOM 251 C ARG A 37 -16.715 -38.425 21.343 1.00 46.92 C
252
+ ATOM 252 O ARG A 37 -16.522 -37.494 22.124 1.00 47.68 O
253
+ ATOM 253 CB ARG A 37 -15.590 -37.034 19.533 1.00 49.03 C
254
+ ATOM 254 CG ARG A 37 -14.553 -37.085 18.418 1.00 52.05 C
255
+ ATOM 255 CD ARG A 37 -13.899 -35.747 18.206 1.00 54.98 C
256
+ ATOM 256 NE ARG A 37 -12.897 -35.799 17.143 1.00 57.73 N
257
+ ATOM 257 CZ ARG A 37 -11.959 -34.876 16.942 1.00 61.06 C
258
+ ATOM 258 NH1 ARG A 37 -11.880 -33.810 17.734 1.00 61.10 N
259
+ ATOM 259 NH2 ARG A 37 -11.097 -35.004 15.940 1.00 61.77 N
260
+ ATOM 260 N LYS A 38 -17.418 -39.504 21.671 1.00 45.39 N
261
+ ATOM 261 CA LYS A 38 -18.002 -39.703 22.991 1.00 44.38 C
262
+ ATOM 262 C LYS A 38 -17.408 -41.002 23.590 1.00 43.64 C
263
+ ATOM 263 O LYS A 38 -16.701 -41.750 22.904 1.00 43.79 O
264
+ ATOM 264 CB LYS A 38 -19.539 -39.717 22.934 1.00 44.85 C
265
+ ATOM 265 CG LYS A 38 -20.143 -38.395 22.491 1.00 46.38 C
266
+ ATOM 266 CD LYS A 38 -19.892 -37.248 23.463 1.00 47.65 C
267
+ ATOM 267 CE LYS A 38 -20.437 -35.945 22.949 1.00 48.60 C
268
+ ATOM 268 NZ LYS A 38 -19.836 -34.785 23.653 1.00 48.92 N
269
+ ATOM 269 N ALA A 39 -17.634 -41.228 24.878 1.00 42.71 N
270
+ ATOM 270 CA ALA A 39 -17.049 -42.369 25.569 1.00 42.19 C
271
+ ATOM 271 C ALA A 39 -17.704 -43.701 25.229 1.00 41.89 C
272
+ ATOM 272 O ALA A 39 -18.926 -43.787 25.061 1.00 42.09 O
273
+ ATOM 273 CB ALA A 39 -17.114 -42.144 27.071 1.00 42.13 C
274
+ ATOM 274 N ALA A 40 -16.884 -44.754 25.159 1.00 41.26 N
275
+ ATOM 275 CA ALA A 40 -17.381 -46.121 25.014 1.00 41.14 C
276
+ ATOM 276 C ALA A 40 -17.989 -46.529 26.373 1.00 41.13 C
277
+ ATOM 277 O ALA A 40 -17.647 -45.936 27.400 1.00 41.02 O
278
+ ATOM 278 CB ALA A 40 -16.233 -47.054 24.667 1.00 40.87 C
279
+ ATOM 279 N GLN A 41 -18.893 -47.524 26.386 1.00 41.02 N
280
+ ATOM 280 CA GLN A 41 -19.491 -48.007 27.630 1.00 41.37 C
281
+ ATOM 281 C GLN A 41 -18.482 -48.993 28.249 1.00 40.68 C
282
+ ATOM 282 O GLN A 41 -18.176 -50.022 27.654 1.00 40.19 O
283
+ ATOM 283 CB GLN A 41 -20.849 -48.694 27.363 1.00 44.04 C
284
+ ATOM 284 CG GLN A 41 -21.752 -48.787 28.595 1.00 49.31 C
285
+ ATOM 285 CD GLN A 41 -22.256 -50.185 28.857 1.00 55.80 C
286
+ ATOM 286 OE1 GLN A 41 -21.840 -50.849 29.821 1.00 58.28 O
287
+ ATOM 287 NE2 GLN A 41 -23.168 -50.667 28.012 1.00 56.61 N
288
+ ATOM 288 N CYS A 42 -17.902 -48.625 29.395 1.00 40.27 N
289
+ ATOM 289 CA CYS A 42 -16.881 -49.424 30.040 1.00 40.43 C
290
+ ATOM 290 C CYS A 42 -17.279 -49.753 31.465 1.00 40.53 C
291
+ ATOM 291 O CYS A 42 -17.553 -48.836 32.240 1.00 40.94 O
292
+ ATOM 292 CB CYS A 42 -15.543 -48.689 30.006 1.00 40.93 C
293
+ ATOM 293 SG CYS A 42 -15.039 -48.136 28.356 1.00 43.58 S
294
+ ATOM 294 N ASP A 43 -17.247 -51.043 31.830 1.00 40.01 N
295
+ ATOM 295 CA ASP A 43 -17.554 -51.480 33.202 1.00 39.84 C
296
+ ATOM 296 C ASP A 43 -16.264 -51.590 34.021 1.00 39.03 C
297
+ ATOM 297 O ASP A 43 -15.213 -51.835 33.452 1.00 38.76 O
298
+ ATOM 298 CB ASP A 43 -18.264 -52.849 33.206 1.00 41.87 C
299
+ ATOM 299 CG ASP A 43 -19.755 -52.826 32.939 1.00 47.70 C
300
+ ATOM 300 OD1 ASP A 43 -20.347 -51.722 32.942 1.00 49.39 O
301
+ ATOM 301 OD2 ASP A 43 -20.333 -53.911 32.718 1.00 50.06 O
302
+ ATOM 302 N PRO A 44 -16.335 -51.470 35.356 1.00 38.56 N
303
+ ATOM 303 CA PRO A 44 -15.116 -51.593 36.162 1.00 38.27 C
304
+ ATOM 304 C PRO A 44 -14.530 -53.013 36.240 1.00 38.03 C
305
+ ATOM 305 O PRO A 44 -15.253 -54.011 36.162 1.00 37.96 O
306
+ ATOM 306 CB PRO A 44 -15.570 -51.149 37.564 1.00 38.86 C
307
+ ATOM 307 CG PRO A 44 -17.017 -51.465 37.613 1.00 39.30 C
308
+ ATOM 308 CD PRO A 44 -17.533 -51.279 36.202 1.00 37.87 C
309
+ ATOM 309 N CYS A 45 -13.221 -53.083 36.478 1.00 37.77 N
310
+ ATOM 310 CA CYS A 45 -12.526 -54.331 36.780 1.00 38.10 C
311
+ ATOM 311 C CYS A 45 -12.874 -54.678 38.258 1.00 38.17 C
312
+ ATOM 312 O CYS A 45 -13.411 -53.839 39.000 1.00 37.93 O
313
+ ATOM 313 CB CYS A 45 -11.013 -54.185 36.586 1.00 38.68 C
314
+ ATOM 314 SG CYS A 45 -10.490 -53.883 34.881 1.00 41.92 S
315
+ ATOM 315 N ILE A 46 -12.540 -55.891 38.690 1.00 38.20 N
316
+ ATOM 316 CA ILE A 46 -12.855 -56.338 40.048 1.00 39.02 C
317
+ ATOM 317 C ILE A 46 -11.658 -56.156 40.969 1.00 39.62 C
318
+ ATOM 318 O ILE A 46 -10.669 -56.858 40.779 1.00 39.97 O
319
+ ATOM 319 CB ILE A 46 -13.329 -57.818 40.042 1.00 39.61 C
320
+ ATOM 320 CG1 ILE A 46 -14.392 -58.081 38.937 1.00 40.64 C
321
+ ATOM 321 CG2 ILE A 46 -13.852 -58.214 41.428 1.00 39.96 C
322
+ ATOM 322 CD1 ILE A 46 -15.608 -57.187 38.968 1.00 42.05 C
323
+ ATOM 323 N PRO A 47 -11.737 -55.256 41.987 1.00 39.67 N
324
+ ATOM 324 CA PRO A 47 -10.603 -55.065 42.909 1.00 39.94 C
325
+ ATOM 325 C PRO A 47 -10.135 -56.379 43.533 1.00 40.08 C
326
+ ATOM 326 O PRO A 47 -10.947 -57.103 44.107 1.00 40.32 O
327
+ ATOM 327 CB PRO A 47 -11.148 -54.092 43.974 1.00 40.48 C
328
+ ATOM 328 CG PRO A 47 -12.232 -53.346 43.298 1.00 40.99 C
329
+ ATOM 329 CD PRO A 47 -12.822 -54.290 42.261 1.00 39.21 C
330
+ ATOM 330 N GLY A 48 -8.849 -56.723 43.348 1.00 39.96 N
331
+ ATOM 331 CA GLY A 48 -8.274 -57.953 43.897 1.00 40.17 C
332
+ ATOM 332 C GLY A 48 -8.466 -59.190 43.006 1.00 40.15 C
333
+ ATOM 333 O GLY A 48 -7.979 -60.247 43.373 1.00 40.53 O
334
+ ATOM 334 N VAL A 49 -9.150 -59.070 41.851 1.00 39.76 N
335
+ ATOM 335 CA VAL A 49 -9.402 -60.205 40.941 1.00 39.49 C
336
+ ATOM 336 C VAL A 49 -8.978 -59.901 39.503 1.00 38.27 C
337
+ ATOM 337 O VAL A 49 -8.477 -60.789 38.824 1.00 38.33 O
338
+ ATOM 338 CB VAL A 49 -10.900 -60.579 40.991 1.00 40.62 C
339
+ ATOM 339 CG1 VAL A 49 -11.226 -61.715 40.016 1.00 41.55 C
340
+ ATOM 340 CG2 VAL A 49 -11.312 -60.935 42.415 1.00 40.89 C
341
+ ATOM 341 N SER A 50 -9.225 -58.679 39.016 1.00 36.92 N
342
+ ATOM 342 CA SER A 50 -8.860 -58.305 37.653 1.00 36.12 C
343
+ ATOM 343 C SER A 50 -8.386 -56.853 37.557 1.00 35.16 C
344
+ ATOM 344 O SER A 50 -8.612 -56.052 38.464 1.00 35.31 O
345
+ ATOM 345 CB SER A 50 -9.994 -58.613 36.673 1.00 37.19 C
346
+ ATOM 346 OG SER A 50 -11.137 -57.801 36.869 1.00 38.74 O
347
+ ATOM 347 N PHE A 51 -7.662 -56.528 36.480 1.00 34.14 N
348
+ ATOM 348 CA PHE A 51 -7.084 -55.204 36.295 1.00 33.18 C
349
+ ATOM 349 C PHE A 51 -6.886 -54.855 34.819 1.00 33.14 C
350
+ ATOM 350 O PHE A 51 -6.933 -55.721 33.972 1.00 33.21 O
351
+ ATOM 351 CB PHE A 51 -5.719 -55.140 37.022 1.00 32.04 C
352
+ ATOM 352 CG PHE A 51 -4.628 -55.956 36.365 1.00 31.47 C
353
+ ATOM 353 CD1 PHE A 51 -4.526 -57.322 36.591 1.00 31.56 C
354
+ ATOM 354 CD2 PHE A 51 -3.705 -55.358 35.521 1.00 31.52 C
355
+ ATOM 355 CE1 PHE A 51 -3.553 -58.073 35.952 1.00 31.85 C
356
+ ATOM 356 CE2 PHE A 51 -2.756 -56.119 34.858 1.00 31.81 C
357
+ ATOM 357 CZ PHE A 51 -2.662 -57.463 35.103 1.00 31.54 C
358
+ ATOM 358 N SER A 52 -6.649 -53.586 34.523 1.00 32.89 N
359
+ ATOM 359 CA SER A 52 -6.292 -53.138 33.173 1.00 33.41 C
360
+ ATOM 360 C SER A 52 -5.423 -51.882 33.370 1.00 33.77 C
361
+ ATOM 361 O SER A 52 -5.898 -50.892 33.915 1.00 33.88 O
362
+ ATOM 362 CB SER A 52 -7.516 -52.907 32.291 1.00 34.31 C
363
+ ATOM 363 OG SER A 52 -8.389 -51.951 32.856 1.00 36.72 O
364
+ ATOM 364 N PRO A 53 -4.116 -51.982 33.096 1.00 33.87 N
365
+ ATOM 365 CA PRO A 53 -3.204 -50.880 33.393 1.00 34.26 C
366
+ ATOM 366 C PRO A 53 -3.215 -49.677 32.474 1.00 35.25 C
367
+ ATOM 367 O PRO A 53 -2.635 -48.654 32.826 1.00 35.36 O
368
+ ATOM 368 CB PRO A 53 -1.824 -51.547 33.333 1.00 34.79 C
369
+ ATOM 369 CG PRO A 53 -2.010 -52.854 32.573 1.00 34.95 C
370
+ ATOM 370 CD PRO A 53 -3.457 -53.050 32.306 1.00 33.26 C
371
+ ATOM 371 N ASP A 54 -3.915 -49.776 31.351 1.00 35.81 N
372
+ ATOM 372 CA ASP A 54 -3.876 -48.836 30.241 1.00 37.09 C
373
+ ATOM 373 C ASP A 54 -5.241 -48.407 29.729 1.00 37.27 C
374
+ ATOM 374 O ASP A 54 -6.204 -49.158 29.874 1.00 37.75 O
375
+ ATOM 375 CB ASP A 54 -3.168 -49.588 29.056 1.00 40.01 C
376
+ ATOM 376 CG ASP A 54 -3.531 -51.097 28.851 1.00 46.95 C
377
+ ATOM 377 OD1 ASP A 54 -4.567 -51.573 29.438 1.00 47.29 O
378
+ ATOM 378 OD2 ASP A 54 -2.768 -51.808 28.132 1.00 50.06 O
379
+ ATOM 379 N HIS A 55 -5.295 -47.276 28.978 1.00 36.70 N
380
+ ATOM 380 CA HIS A 55 -6.468 -46.902 28.185 1.00 36.60 C
381
+ ATOM 381 C HIS A 55 -6.499 -47.954 27.049 1.00 36.55 C
382
+ ATOM 382 O HIS A 55 -5.452 -48.218 26.452 1.00 37.00 O
383
+ ATOM 383 CB HIS A 55 -6.322 -45.495 27.566 1.00 37.26 C
384
+ ATOM 384 CG HIS A 55 -6.429 -44.405 28.574 1.00 39.24 C
385
+ ATOM 385 ND1 HIS A 55 -5.334 -43.991 29.308 1.00 41.13 N
386
+ ATOM 386 CD2 HIS A 55 -7.514 -43.707 28.973 1.00 40.22 C
387
+ ATOM 387 CE1 HIS A 55 -5.779 -43.050 30.120 1.00 41.65 C
388
+ ATOM 388 NE2 HIS A 55 -7.086 -42.842 29.948 1.00 41.58 N
389
+ ATOM 389 N HIS A 56 -7.631 -48.619 26.829 1.00 36.00 N
390
+ ATOM 390 CA HIS A 56 -7.679 -49.730 25.887 1.00 36.17 C
391
+ ATOM 391 C HIS A 56 -9.099 -49.992 25.379 1.00 36.84 C
392
+ ATOM 392 O HIS A 56 -10.041 -49.321 25.790 1.00 37.03 O
393
+ ATOM 393 CB HIS A 56 -7.112 -51.000 26.598 1.00 35.95 C
394
+ ATOM 394 CG HIS A 56 -8.023 -51.513 27.670 1.00 35.99 C
395
+ ATOM 395 ND1 HIS A 56 -8.824 -52.605 27.458 1.00 37.04 N
396
+ ATOM 396 CD2 HIS A 56 -8.322 -50.982 28.878 1.00 36.76 C
397
+ ATOM 397 CE1 HIS A 56 -9.539 -52.752 28.559 1.00 37.53 C
398
+ ATOM 398 NE2 HIS A 56 -9.274 -51.793 29.439 1.00 37.53 N
399
+ ATOM 399 N THR A 57 -9.233 -50.983 24.497 1.00 37.12 N
400
+ ATOM 400 CA THR A 57 -10.487 -51.393 23.889 1.00 38.05 C
401
+ ATOM 401 C THR A 57 -10.758 -52.903 24.064 1.00 38.52 C
402
+ ATOM 402 O THR A 57 -11.628 -53.429 23.359 1.00 39.33 O
403
+ ATOM 403 CB THR A 57 -10.439 -51.019 22.402 1.00 39.49 C
404
+ ATOM 404 OG1 THR A 57 -9.361 -51.727 21.783 1.00 41.05 O
405
+ ATOM 405 CG2 THR A 57 -10.262 -49.545 22.193 1.00 39.44 C
406
+ ATOM 406 N ARG A 58 -10.059 -53.605 24.985 1.00 37.93 N
407
+ ATOM 407 CA ARG A 58 -10.290 -55.054 25.153 1.00 38.05 C
408
+ ATOM 408 C ARG A 58 -11.626 -55.267 25.857 1.00 38.28 C
409
+ ATOM 409 O ARG A 58 -11.919 -54.543 26.814 1.00 38.68 O
410
+ ATOM 410 CB ARG A 58 -9.161 -55.734 25.963 1.00 38.88 C
411
+ ATOM 411 CG ARG A 58 -7.732 -55.490 25.477 1.00 40.88 C
412
+ ATOM 412 CD ARG A 58 -7.540 -55.876 24.027 1.00 44.15 C
413
+ ATOM 413 NE ARG A 58 -7.831 -57.298 23.811 1.00 47.14 N
414
+ ATOM 414 CZ ARG A 58 -8.583 -57.784 22.826 1.00 49.28 C
415
+ ATOM 415 NH1 ARG A 58 -9.135 -56.965 21.931 1.00 48.90 N
416
+ ATOM 416 NH2 ARG A 58 -8.786 -59.094 22.723 1.00 49.29 N
417
+ ATOM 417 N PRO A 59 -12.422 -56.269 25.448 1.00 38.07 N
418
+ ATOM 418 CA PRO A 59 -13.713 -56.510 26.109 1.00 38.06 C
419
+ ATOM 419 C PRO A 59 -13.589 -57.327 27.412 1.00 37.93 C
420
+ ATOM 420 O PRO A 59 -14.517 -58.043 27.791 1.00 38.29 O
421
+ ATOM 421 CB PRO A 59 -14.522 -57.244 25.029 1.00 38.82 C
422
+ ATOM 422 CG PRO A 59 -13.510 -57.974 24.254 1.00 39.39 C
423
+ ATOM 423 CD PRO A 59 -12.307 -57.062 24.206 1.00 37.77 C
424
+ ATOM 424 N HIS A 60 -12.458 -57.208 28.104 1.00 37.22 N
425
+ ATOM 425 CA HIS A 60 -12.222 -57.902 29.362 1.00 37.03 C
426
+ ATOM 426 C HIS A 60 -11.065 -57.225 30.118 1.00 37.05 C
427
+ ATOM 427 O HIS A 60 -10.301 -56.433 29.547 1.00 37.06 O
428
+ ATOM 428 CB HIS A 60 -11.890 -59.404 29.096 1.00 37.34 C
429
+ ATOM 429 CG HIS A 60 -10.600 -59.595 28.357 1.00 38.30 C
430
+ ATOM 430 ND1 HIS A 60 -10.574 -59.810 26.997 1.00 39.97 N
431
+ ATOM 431 CD2 HIS A 60 -9.325 -59.503 28.804 1.00 38.85 C
432
+ ATOM 432 CE1 HIS A 60 -9.297 -59.882 26.660 1.00 40.06 C
433
+ ATOM 433 NE2 HIS A 60 -8.508 -59.693 27.719 1.00 39.62 N
434
+ ATOM 434 N CYS A 61 -10.972 -57.519 31.408 1.00 37.03 N
435
+ ATOM 435 CA CYS A 61 -9.862 -57.106 32.258 1.00 37.29 C
436
+ ATOM 436 C CYS A 61 -8.867 -58.283 32.298 1.00 36.91 C
437
+ ATOM 437 O CYS A 61 -9.231 -59.428 32.070 1.00 36.78 O
438
+ ATOM 438 CB CYS A 61 -10.347 -56.764 33.666 1.00 38.23 C
439
+ ATOM 439 SG CYS A 61 -11.416 -55.315 33.751 1.00 43.04 S
440
+ ATOM 440 N GLU A 62 -7.616 -57.992 32.615 1.00 36.69 N
441
+ ATOM 441 CA GLU A 62 -6.568 -59.001 32.789 1.00 36.56 C
442
+ ATOM 442 C GLU A 62 -6.783 -59.667 34.140 1.00 37.10 C
443
+ ATOM 443 O GLU A 62 -7.106 -58.985 35.106 1.00 36.98 O
444
+ ATOM 444 CB GLU A 62 -5.192 -58.321 32.810 1.00 36.98 C
445
+ ATOM 445 CG GLU A 62 -4.896 -57.444 31.607 1.00 38.15 C
446
+ ATOM 446 CD GLU A 62 -4.914 -58.251 30.326 1.00 39.59 C
447
+ ATOM 447 OE1 GLU A 62 -5.977 -58.285 29.668 1.00 39.74 O
448
+ ATOM 448 OE2 GLU A 62 -3.891 -58.903 30.019 1.00 38.88 O
449
+ ATOM 449 N SER A 63 -6.583 -60.981 34.228 1.00 37.68 N
450
+ ATOM 450 CA SER A 63 -6.721 -61.679 35.494 1.00 38.50 C
451
+ ATOM 451 C SER A 63 -5.501 -61.413 36.367 1.00 39.57 C
452
+ ATOM 452 O SER A 63 -4.374 -61.475 35.876 1.00 39.71 O
453
+ ATOM 453 CB SER A 63 -6.847 -63.179 35.256 1.00 39.84 C
454
+ ATOM 454 OG SER A 63 -8.065 -63.490 34.605 1.00 42.20 O
455
+ ATOM 455 N CYS A 64 -5.709 -61.157 37.660 1.00 40.34 N
456
+ ATOM 456 CA CYS A 64 -4.607 -61.035 38.606 1.00 42.02 C
457
+ ATOM 457 C CYS A 64 -3.996 -62.416 38.795 1.00 43.56 C
458
+ ATOM 458 O CYS A 64 -4.743 -63.388 38.930 1.00 43.62 O
459
+ ATOM 459 CB CYS A 64 -5.106 -60.519 39.952 1.00 43.18 C
460
+ ATOM 460 SG CYS A 64 -5.957 -58.927 39.873 1.00 48.47 S
461
+ ATOM 461 N ARG A 65 -2.665 -62.499 38.908 1.00 44.77 N
462
+ ATOM 462 CA ARG A 65 -2.002 -63.754 39.247 1.00 46.64 C
463
+ ATOM 463 C ARG A 65 -2.258 -64.038 40.740 1.00 49.98 C
464
+ ATOM 464 O ARG A 65 -2.521 -63.112 41.523 1.00 49.80 O
465
+ ATOM 465 CB ARG A 65 -0.491 -63.697 38.962 1.00 46.27 C
466
+ ATOM 466 CG ARG A 65 0.314 -62.680 39.795 1.00 45.82 C
467
+ ATOM 467 CD ARG A 65 1.810 -62.856 39.607 1.00 45.59 C
468
+ ATOM 468 NE ARG A 65 2.202 -62.758 38.199 1.00 44.43 N
469
+ ATOM 469 CZ ARG A 65 2.507 -61.633 37.556 1.00 43.28 C
470
+ ATOM 470 NH1 ARG A 65 2.483 -60.464 38.193 1.00 41.62 N
471
+ ATOM 471 NH2 ARG A 65 2.835 -61.665 36.270 1.00 41.69 N
472
+ ATOM 472 N HIS A 66 -2.198 -65.316 41.125 1.00 52.87 N
473
+ ATOM 473 CA HIS A 66 -2.415 -65.738 42.509 1.00 56.26 C
474
+ ATOM 474 C HIS A 66 -1.083 -66.123 43.136 1.00 58.58 C
475
+ ATOM 475 O HIS A 66 -0.264 -66.765 42.481 1.00 58.66 O
476
+ ATOM 476 CB HIS A 66 -3.381 -66.938 42.572 1.00 58.54 C
477
+ ATOM 477 CG HIS A 66 -4.594 -66.763 41.711 1.00 63.20 C
478
+ ATOM 478 ND1 HIS A 66 -4.884 -67.651 40.681 1.00 65.83 N
479
+ ATOM 479 CD2 HIS A 66 -5.512 -65.765 41.703 1.00 64.82 C
480
+ ATOM 480 CE1 HIS A 66 -5.982 -67.185 40.104 1.00 66.61 C
481
+ ATOM 481 NE2 HIS A 66 -6.394 -66.048 40.683 1.00 66.38 N
482
+ ATOM 482 N CYS A 67 -0.865 -65.721 44.396 1.00 60.38 N
483
+ ATOM 483 CA CYS A 67 0.345 -66.029 45.151 1.00 62.79 C
484
+ ATOM 484 C CYS A 67 -0.061 -67.120 46.138 1.00 66.41 C
485
+ ATOM 485 O CYS A 67 -0.112 -66.889 47.350 1.00 66.93 O
486
+ ATOM 486 CB CYS A 67 0.858 -64.777 45.861 1.00 62.31 C
487
+ ATOM 487 SG CYS A 67 1.095 -63.350 44.765 1.00 62.22 S
488
+ ATOM 488 N ASN A 68 -0.399 -68.304 45.597 1.00 68.73 N
489
+ ATOM 489 CA ASN A 68 -0.905 -69.425 46.406 1.00 71.42 C
490
+ ATOM 490 C ASN A 68 0.071 -69.897 47.506 1.00 73.66 C
491
+ ATOM 491 O ASN A 68 -0.223 -69.712 48.693 1.00 74.18 O
492
+ ATOM 492 CB ASN A 68 -1.380 -70.627 45.538 1.00 73.21 C
493
+ ATOM 493 CG ASN A 68 -0.521 -70.950 44.331 1.00 77.11 C
494
+ ATOM 494 OD1 ASN A 68 -0.647 -70.314 43.269 1.00 78.42 O
495
+ ATOM 495 ND2 ASN A 68 0.378 -71.926 44.461 1.00 77.90 N
496
+ ATOM 496 N SER A 69 1.205 -70.523 47.137 1.00 74.74 N
497
+ ATOM 497 CA SER A 69 2.149 -71.024 48.144 1.00 76.16 C
498
+ ATOM 498 C SER A 69 2.848 -69.872 48.879 1.00 76.60 C
499
+ ATOM 499 O SER A 69 2.952 -69.911 50.109 1.00 77.42 O
500
+ ATOM 500 CB SER A 69 3.184 -71.986 47.541 1.00 78.35 C
501
+ ATOM 501 OG SER A 69 3.139 -72.098 46.124 1.00 81.44 O
502
+ ATOM 502 N GLY A 70 3.305 -68.856 48.142 1.00 75.92 N
503
+ ATOM 503 CA GLY A 70 4.030 -67.737 48.730 1.00 75.74 C
504
+ ATOM 504 C GLY A 70 3.142 -66.604 49.258 1.00 75.14 C
505
+ ATOM 505 O GLY A 70 1.949 -66.799 49.516 1.00 75.89 O
506
+ ATOM 506 N LEU A 71 3.759 -65.411 49.409 1.00 73.35 N
507
+ ATOM 507 CA LEU A 71 3.147 -64.185 49.950 1.00 71.88 C
508
+ ATOM 508 C LEU A 71 3.099 -63.061 48.876 1.00 69.55 C
509
+ ATOM 509 O LEU A 71 3.639 -63.232 47.780 1.00 69.60 O
510
+ ATOM 510 CB LEU A 71 3.883 -63.694 51.242 1.00 72.37 C
511
+ ATOM 511 CG LEU A 71 5.207 -64.374 51.676 1.00 74.33 C
512
+ ATOM 512 CD1 LEU A 71 6.340 -63.970 50.777 1.00 75.10 C
513
+ ATOM 513 CD2 LEU A 71 5.576 -64.012 53.098 1.00 75.09 C
514
+ ATOM 514 N LEU A 72 2.438 -61.930 49.191 1.00 67.31 N
515
+ ATOM 515 CA LEU A 72 2.305 -60.818 48.270 1.00 65.83 C
516
+ ATOM 516 C LEU A 72 3.229 -59.654 48.589 1.00 63.82 C
517
+ ATOM 517 O LEU A 72 3.153 -59.064 49.667 1.00 64.10 O
518
+ ATOM 518 CB LEU A 72 0.847 -60.316 48.253 1.00 66.18 C
519
+ ATOM 519 CG LEU A 72 -0.211 -61.254 47.645 1.00 67.78 C
520
+ ATOM 520 CD1 LEU A 72 -1.269 -61.599 48.672 1.00 68.52 C
521
+ ATOM 521 CD2 LEU A 72 -0.843 -60.633 46.437 1.00 68.19 C
522
+ ATOM 522 N VAL A 73 4.098 -59.320 47.640 1.00 61.58 N
523
+ ATOM 523 CA VAL A 73 4.943 -58.136 47.700 1.00 59.82 C
524
+ ATOM 524 C VAL A 73 4.032 -56.938 47.389 1.00 57.10 C
525
+ ATOM 525 O VAL A 73 4.119 -55.911 48.058 1.00 57.14 O
526
+ ATOM 526 CB VAL A 73 6.103 -58.213 46.676 1.00 60.89 C
527
+ ATOM 527 CG1 VAL A 73 6.863 -56.886 46.606 1.00 61.59 C
528
+ ATOM 528 CG2 VAL A 73 7.042 -59.362 47.011 1.00 61.46 C
529
+ ATOM 529 N ARG A 74 3.182 -57.068 46.349 1.00 54.61 N
530
+ ATOM 530 CA ARG A 74 2.250 -56.037 45.933 1.00 52.70 C
531
+ ATOM 531 C ARG A 74 0.890 -56.683 45.698 1.00 51.50 C
532
+ ATOM 532 O ARG A 74 0.807 -57.704 45.029 1.00 51.40 O
533
+ ATOM 533 CB ARG A 74 2.761 -55.391 44.633 1.00 52.46 C
534
+ ATOM 534 CG ARG A 74 2.220 -53.998 44.339 1.00 52.61 C
535
+ ATOM 535 CD ARG A 74 2.854 -53.421 43.074 1.00 52.76 C
536
+ ATOM 536 NE ARG A 74 2.326 -54.039 41.856 1.00 51.58 N
537
+ ATOM 537 CZ ARG A 74 3.017 -54.248 40.734 1.00 50.53 C
538
+ ATOM 538 NH1 ARG A 74 4.302 -53.905 40.657 1.00 49.30 N
539
+ ATOM 539 NH2 ARG A 74 2.437 -54.828 39.689 1.00 48.56 N
540
+ ATOM 540 N ASN A 75 -0.175 -56.094 46.248 1.00 50.46 N
541
+ ATOM 541 CA ASN A 75 -1.536 -56.586 46.033 1.00 49.77 C
542
+ ATOM 542 C ASN A 75 -2.033 -56.159 44.652 1.00 47.92 C
543
+ ATOM 543 O ASN A 75 -1.612 -55.124 44.132 1.00 47.78 O
544
+ ATOM 544 CB ASN A 75 -2.491 -56.004 47.081 1.00 51.83 C
545
+ ATOM 545 CG ASN A 75 -2.253 -56.535 48.463 1.00 56.83 C
546
+ ATOM 546 OD1 ASN A 75 -2.050 -57.737 48.646 1.00 58.47 O
547
+ ATOM 547 ND2 ASN A 75 -2.288 -55.665 49.477 1.00 58.53 N
548
+ ATOM 548 N CYS A 76 -2.987 -56.913 44.106 1.00 46.21 N
549
+ ATOM 549 CA CYS A 76 -3.590 -56.571 42.843 1.00 45.13 C
550
+ ATOM 550 C CYS A 76 -4.571 -55.410 43.053 1.00 43.86 C
551
+ ATOM 551 O CYS A 76 -5.377 -55.446 43.976 1.00 44.11 O
552
+ ATOM 552 CB CYS A 76 -4.285 -57.776 42.206 1.00 45.53 C
553
+ ATOM 553 SG CYS A 76 -4.540 -57.592 40.413 1.00 48.60 S
554
+ ATOM 554 N THR A 77 -4.478 -54.382 42.204 1.00 42.53 N
555
+ ATOM 555 CA THR A 77 -5.381 -53.233 42.156 1.00 41.61 C
556
+ ATOM 556 C THR A 77 -6.041 -53.270 40.757 1.00 39.83 C
557
+ ATOM 557 O THR A 77 -5.582 -54.019 39.896 1.00 39.59 O
558
+ ATOM 558 CB THR A 77 -4.612 -51.908 42.383 1.00 43.61 C
559
+ ATOM 559 OG1 THR A 77 -3.818 -51.619 41.236 1.00 45.57 O
560
+ ATOM 560 CG2 THR A 77 -3.722 -51.944 43.601 1.00 44.13 C
561
+ ATOM 561 N ILE A 78 -7.082 -52.450 40.513 1.00 38.38 N
562
+ ATOM 562 CA ILE A 78 -7.754 -52.455 39.205 1.00 37.34 C
563
+ ATOM 563 C ILE A 78 -6.867 -51.967 38.047 1.00 36.13 C
564
+ ATOM 564 O ILE A 78 -7.300 -52.077 36.915 1.00 35.49 O
565
+ ATOM 565 CB ILE A 78 -9.109 -51.698 39.220 1.00 37.42 C
566
+ ATOM 566 CG1 ILE A 78 -8.931 -50.234 39.714 1.00 37.95 C
567
+ ATOM 567 CG2 ILE A 78 -10.145 -52.466 40.054 1.00 37.58 C
568
+ ATOM 568 CD1 ILE A 78 -10.027 -49.321 39.319 1.00 39.12 C
569
+ ATOM 569 N THR A 79 -5.627 -51.499 38.309 1.00 35.65 N
570
+ ATOM 570 CA THR A 79 -4.705 -51.078 37.251 1.00 35.76 C
571
+ ATOM 571 C THR A 79 -3.346 -51.814 37.293 1.00 35.98 C
572
+ ATOM 572 O THR A 79 -2.499 -51.549 36.434 1.00 36.46 O
573
+ ATOM 573 CB THR A 79 -4.489 -49.543 37.302 1.00 36.82 C
574
+ ATOM 574 OG1 THR A 79 -3.817 -49.181 38.518 1.00 37.93 O
575
+ ATOM 575 CG2 THR A 79 -5.793 -48.761 37.173 1.00 36.74 C
576
+ ATOM 576 N ALA A 80 -3.116 -52.706 38.269 1.00 35.40 N
577
+ ATOM 577 CA ALA A 80 -1.833 -53.378 38.403 1.00 35.59 C
578
+ ATOM 578 C ALA A 80 -1.984 -54.794 38.943 1.00 35.96 C
579
+ ATOM 579 O ALA A 80 -2.776 -55.054 39.856 1.00 36.17 O
580
+ ATOM 580 CB ALA A 80 -0.926 -52.566 39.321 1.00 35.52 C
581
+ ATOM 581 N ASN A 81 -1.164 -55.697 38.412 1.00 35.66 N
582
+ ATOM 582 CA ASN A 81 -1.177 -57.089 38.806 1.00 35.85 C
583
+ ATOM 583 C ASN A 81 -0.575 -57.293 40.207 1.00 36.78 C
584
+ ATOM 584 O ASN A 81 0.173 -56.456 40.709 1.00 36.59 O
585
+ ATOM 585 CB ASN A 81 -0.387 -57.917 37.778 1.00 35.83 C
586
+ ATOM 586 CG ASN A 81 -0.804 -59.366 37.673 1.00 37.20 C
587
+ ATOM 587 OD1 ASN A 81 -1.513 -59.901 38.510 1.00 37.78 O
588
+ ATOM 588 ND2 ASN A 81 -0.378 -60.037 36.629 1.00 37.48 N
589
+ ATOM 589 N ALA A 82 -0.899 -58.422 40.829 1.00 37.64 N
590
+ ATOM 590 CA ALA A 82 -0.306 -58.809 42.095 1.00 38.97 C
591
+ ATOM 591 C ALA A 82 1.149 -59.196 41.822 1.00 40.38 C
592
+ ATOM 592 O ALA A 82 1.484 -59.632 40.722 1.00 39.93 O
593
+ ATOM 593 CB ALA A 82 -1.058 -60.002 42.690 1.00 38.92 C
594
+ ATOM 594 N GLU A 83 2.013 -59.023 42.812 1.00 42.06 N
595
+ ATOM 595 CA GLU A 83 3.404 -59.440 42.709 1.00 44.41 C
596
+ ATOM 596 C GLU A 83 3.673 -60.377 43.879 1.00 48.35 C
597
+ ATOM 597 O GLU A 83 3.381 -60.020 45.017 1.00 48.42 O
598
+ ATOM 598 CB GLU A 83 4.338 -58.228 42.690 1.00 44.30 C
599
+ ATOM 599 CG GLU A 83 4.355 -57.520 41.339 1.00 44.47 C
600
+ ATOM 600 CD GLU A 83 5.015 -58.310 40.223 1.00 44.47 C
601
+ ATOM 601 OE1 GLU A 83 6.026 -58.991 40.499 1.00 44.59 O
602
+ ATOM 602 OE2 GLU A 83 4.522 -58.257 39.075 1.00 43.82 O
603
+ ATOM 603 N CYS A 84 4.173 -61.595 43.592 1.00 51.41 N
604
+ ATOM 604 CA CYS A 84 4.416 -62.636 44.597 1.00 54.96 C
605
+ ATOM 605 C CYS A 84 5.874 -62.694 45.068 1.00 58.65 C
606
+ ATOM 606 O CYS A 84 6.760 -62.086 44.477 1.00 58.65 O
607
+ ATOM 607 CB CYS A 84 3.979 -64.002 44.060 1.00 55.86 C
608
+ ATOM 608 SG CYS A 84 2.332 -64.043 43.309 1.00 61.00 S
609
+ ATOM 609 N ALA A 85 6.094 -63.462 46.152 1.00 61.70 N
610
+ ATOM 610 CA ALA A 85 7.404 -63.789 46.726 1.00 65.30 C
611
+ ATOM 611 C ALA A 85 7.305 -65.115 47.494 1.00 69.12 C
612
+ ATOM 612 O ALA A 85 6.208 -65.519 47.868 1.00 69.05 O
613
+ ATOM 613 CB ALA A 85 7.872 -62.688 47.663 1.00 65.47 C
614
+ ATOM 614 N CYS A 86 8.431 -65.800 47.708 1.00 72.38 N
615
+ ATOM 615 CA CYS A 86 8.458 -67.038 48.503 1.00 76.00 C
616
+ ATOM 616 C CYS A 86 9.061 -66.732 49.879 1.00 79.13 C
617
+ ATOM 617 O CYS A 86 9.848 -65.791 50.015 1.00 79.26 O
618
+ ATOM 618 CB CYS A 86 9.235 -68.139 47.785 1.00 77.71 C
619
+ ATOM 619 SG CYS A 86 8.476 -68.699 46.233 1.00 84.50 S
620
+ ATOM 620 N ARG A 87 8.682 -67.510 50.905 1.00 81.54 N
621
+ ATOM 621 CA ARG A 87 9.228 -67.321 52.253 1.00 84.38 C
622
+ ATOM 622 C ARG A 87 10.692 -67.772 52.277 1.00 86.81 C
623
+ ATOM 623 O ARG A 87 11.071 -68.674 51.521 1.00 87.13 O
624
+ ATOM 624 CB ARG A 87 8.429 -68.135 53.290 1.00 86.43 C
625
+ ATOM 625 CG ARG A 87 6.989 -67.654 53.463 1.00 90.50 C
626
+ ATOM 626 CD ARG A 87 5.964 -68.781 53.500 1.00 94.29 C
627
+ ATOM 627 NE ARG A 87 4.686 -68.370 52.906 1.00 97.34 N
628
+ ATOM 628 CZ ARG A 87 3.726 -67.706 53.548 1.00 99.94 C
629
+ ATOM 629 NH1 ARG A 87 3.883 -67.360 54.824 1.00100.16 N
630
+ ATOM 630 NH2 ARG A 87 2.601 -67.381 52.922 1.00 99.96 N
631
+ ATOM 631 N ASN A 88 11.513 -67.178 53.167 1.00 88.27 N
632
+ ATOM 632 CA ASN A 88 12.923 -67.567 53.297 1.00 90.06 C
633
+ ATOM 633 C ASN A 88 12.993 -69.034 53.749 1.00 91.22 C
634
+ ATOM 634 O ASN A 88 12.549 -69.363 54.849 1.00 91.56 O
635
+ ATOM 635 CB ASN A 88 13.659 -66.660 54.294 1.00 91.91 C
636
+ ATOM 636 CG ASN A 88 15.162 -66.863 54.293 1.00 96.13 C
637
+ ATOM 637 OD1 ASN A 88 15.802 -66.871 53.233 1.00 97.78 O
638
+ ATOM 638 ND2 ASN A 88 15.777 -67.015 55.471 1.00 96.92 N
639
+ ATOM 639 N GLY A 89 13.509 -69.910 52.873 1.00 91.62 N
640
+ ATOM 640 CA GLY A 89 13.559 -71.366 53.074 1.00 92.29 C
641
+ ATOM 641 C GLY A 89 12.892 -72.128 51.888 1.00 92.66 C
642
+ ATOM 642 O GLY A 89 12.912 -73.363 51.866 1.00 92.90 O
643
+ ATOM 643 N TRP A 90 12.290 -71.383 50.931 1.00 92.47 N
644
+ ATOM 644 CA TRP A 90 11.637 -71.861 49.716 1.00 92.78 C
645
+ ATOM 645 C TRP A 90 12.164 -71.005 48.545 1.00 91.57 C
646
+ ATOM 646 O TRP A 90 12.514 -69.839 48.755 1.00 91.71 O
647
+ ATOM 647 CB TRP A 90 10.105 -71.688 49.839 1.00 93.59 C
648
+ ATOM 648 CG TRP A 90 9.493 -72.562 50.892 1.00 95.18 C
649
+ ATOM 649 CD1 TRP A 90 9.725 -72.514 52.234 1.00 96.46 C
650
+ ATOM 650 CD2 TRP A 90 8.559 -73.630 50.683 1.00 95.83 C
651
+ ATOM 651 NE1 TRP A 90 9.050 -73.532 52.867 1.00 97.09 N
652
+ ATOM 652 CE2 TRP A 90 8.307 -74.219 51.939 1.00 96.93 C
653
+ ATOM 653 CE3 TRP A 90 7.906 -74.145 49.555 1.00 96.60 C
654
+ ATOM 654 CZ2 TRP A 90 7.473 -75.331 52.089 1.00 97.76 C
655
+ ATOM 655 CZ3 TRP A 90 7.069 -75.234 49.707 1.00 97.64 C
656
+ ATOM 656 CH2 TRP A 90 6.848 -75.807 50.963 1.00 97.90 C
657
+ ATOM 657 N GLN A 91 12.235 -71.574 47.325 1.00 90.19 N
658
+ ATOM 658 CA GLN A 91 12.686 -70.828 46.136 1.00 89.21 C
659
+ ATOM 659 C GLN A 91 11.578 -70.806 45.062 1.00 87.43 C
660
+ ATOM 660 O GLN A 91 10.755 -71.723 45.006 1.00 87.42 O
661
+ ATOM 661 CB GLN A 91 14.064 -71.343 45.622 1.00 91.11 C
662
+ ATOM 662 CG GLN A 91 14.089 -72.328 44.435 1.00 94.83 C
663
+ ATOM 663 CD GLN A 91 13.905 -73.763 44.858 1.00 99.62 C
664
+ ATOM 664 OE1 GLN A 91 14.773 -74.622 44.657 1.00101.53 O
665
+ ATOM 665 NE2 GLN A 91 12.775 -74.063 45.461 1.00100.15 N
666
+ ATOM 666 N CYS A 92 11.549 -69.749 44.230 1.00 85.75 N
667
+ ATOM 667 CA CYS A 92 10.526 -69.579 43.195 1.00 84.52 C
668
+ ATOM 668 C CYS A 92 10.707 -70.578 42.033 1.00 83.82 C
669
+ ATOM 669 O CYS A 92 11.818 -70.723 41.522 1.00 83.98 O
670
+ ATOM 670 CB CYS A 92 10.522 -68.136 42.689 1.00 83.97 C
671
+ ATOM 671 SG CYS A 92 10.358 -66.881 43.995 1.00 82.92 S
672
+ ATOM 672 N ARG A 93 9.621 -71.269 41.621 1.00 82.87 N
673
+ ATOM 673 CA ARG A 93 9.675 -72.196 40.476 1.00 82.47 C
674
+ ATOM 674 C ARG A 93 9.789 -71.383 39.152 1.00 81.19 C
675
+ ATOM 675 O ARG A 93 10.410 -71.851 38.193 1.00 81.38 O
676
+ ATOM 676 CB ARG A 93 8.420 -73.097 40.430 1.00 84.32 C
677
+ ATOM 677 CG ARG A 93 8.651 -74.493 39.806 1.00 88.24 C
678
+ ATOM 678 CD ARG A 93 7.355 -75.185 39.446 1.00 92.15 C
679
+ ATOM 679 NE ARG A 93 6.470 -75.289 40.602 1.00 95.66 N
680
+ ATOM 680 CZ ARG A 93 6.234 -76.404 41.287 1.00 98.62 C
681
+ ATOM 681 NH1 ARG A 93 6.770 -77.552 40.903 1.00 98.85 N
682
+ ATOM 682 NH2 ARG A 93 5.411 -76.387 42.331 1.00 98.81 N
683
+ ATOM 683 N ASP A 94 9.165 -70.172 39.118 1.00 79.57 N
684
+ ATOM 684 CA ASP A 94 9.156 -69.216 38.002 1.00 78.47 C
685
+ ATOM 685 C ASP A 94 9.556 -67.806 38.530 1.00 76.62 C
686
+ ATOM 686 O ASP A 94 9.562 -67.599 39.744 1.00 76.80 O
687
+ ATOM 687 CB ASP A 94 7.760 -69.182 37.341 1.00 80.43 C
688
+ ATOM 688 CG ASP A 94 6.604 -68.850 38.279 1.00 85.04 C
689
+ ATOM 689 OD1 ASP A 94 5.762 -67.992 37.908 1.00 85.98 O
690
+ ATOM 690 OD2 ASP A 94 6.540 -69.446 39.385 1.00 86.69 O
691
+ ATOM 691 N LYS A 95 9.887 -66.837 37.644 1.00 74.67 N
692
+ ATOM 692 CA LYS A 95 10.298 -65.494 38.108 1.00 73.12 C
693
+ ATOM 693 C LYS A 95 9.174 -64.745 38.872 1.00 71.60 C
694
+ ATOM 694 O LYS A 95 9.462 -63.841 39.658 1.00 71.62 O
695
+ ATOM 695 CB LYS A 95 10.874 -64.636 36.950 1.00 74.19 C
696
+ ATOM 696 CG LYS A 95 9.890 -63.685 36.251 1.00 76.19 C
697
+ ATOM 697 CD LYS A 95 10.438 -63.135 34.958 1.00 78.27 C
698
+ ATOM 698 CE LYS A 95 9.344 -62.572 34.101 1.00 80.19 C
699
+ ATOM 699 NZ LYS A 95 9.882 -61.997 32.847 1.00 81.20 N
700
+ ATOM 700 N GLU A 96 7.911 -65.107 38.622 1.00 70.16 N
701
+ ATOM 701 CA GLU A 96 6.773 -64.488 39.287 1.00 69.30 C
702
+ ATOM 702 C GLU A 96 6.464 -65.078 40.667 1.00 69.85 C
703
+ ATOM 703 O GLU A 96 5.579 -64.554 41.334 1.00 69.51 O
704
+ ATOM 704 CB GLU A 96 5.537 -64.564 38.380 1.00 68.78 C
705
+ ATOM 705 CG GLU A 96 5.718 -63.828 37.062 1.00 67.99 C
706
+ ATOM 706 CD GLU A 96 5.983 -62.340 37.199 1.00 67.89 C
707
+ ATOM 707 OE1 GLU A 96 5.767 -61.791 38.305 1.00 66.93 O
708
+ ATOM 708 OE2 GLU A 96 6.396 -61.717 36.194 1.00 67.61 O
709
+ ATOM 709 N CYS A 97 7.179 -66.145 41.105 1.00 70.55 N
710
+ ATOM 710 CA CYS A 97 6.991 -66.762 42.422 1.00 71.84 C
711
+ ATOM 711 C CYS A 97 5.553 -67.177 42.721 1.00 72.14 C
712
+ ATOM 712 O CYS A 97 5.103 -67.069 43.857 1.00 71.89 O
713
+ ATOM 713 CB CYS A 97 7.541 -65.847 43.507 1.00 73.80 C
714
+ ATOM 714 SG CYS A 97 9.254 -65.339 43.226 1.00 81.75 S
715
+ ATOM 715 N THR A 98 4.834 -67.635 41.703 1.00 72.74 N
716
+ ATOM 716 CA THR A 98 3.469 -68.131 41.864 1.00 74.07 C
717
+ ATOM 717 C THR A 98 3.502 -69.535 42.529 1.00 75.38 C
718
+ ATOM 718 O THR A 98 2.548 -69.893 43.219 1.00 75.20 O
719
+ ATOM 719 CB THR A 98 2.737 -68.105 40.500 1.00 75.47 C
720
+ ATOM 720 OG1 THR A 98 2.469 -66.738 40.144 1.00 76.62 O
721
+ ATOM 721 CG2 THR A 98 1.437 -68.893 40.514 1.00 75.96 C
722
+ ATOM 722 N GLU A 99 4.605 -70.299 42.337 1.00 76.50 N
723
+ ATOM 723 CA GLU A 99 4.820 -71.610 42.938 1.00 78.23 C
724
+ ATOM 724 C GLU A 99 6.168 -71.590 43.687 1.00 79.77 C
725
+ ATOM 725 O GLU A 99 7.142 -71.029 43.173 1.00 79.79 O
726
+ ATOM 726 CB GLU A 99 4.872 -72.692 41.855 1.00 80.51 C
727
+ ATOM 727 CG GLU A 99 3.785 -72.635 40.786 1.00 85.43 C
728
+ ATOM 728 CD GLU A 99 4.152 -71.991 39.455 1.00 91.66 C
729
+ ATOM 729 OE1 GLU A 99 5.283 -72.215 38.964 1.00 93.01 O
730
+ ATOM 730 OE2 GLU A 99 3.288 -71.286 38.884 1.00 93.51 O
731
+ ATOM 731 N CYS A 100 6.217 -72.189 44.896 1.00 80.86 N
732
+ ATOM 732 CA CYS A 100 7.431 -72.260 45.720 1.00 82.48 C
733
+ ATOM 733 C CYS A 100 7.761 -73.727 46.044 1.00 84.52 C
734
+ ATOM 734 O CYS A 100 6.846 -74.519 46.273 1.00 84.83 O
735
+ ATOM 735 CB CYS A 100 7.262 -71.438 46.998 1.00 82.76 C
736
+ ATOM 736 SG CYS A 100 6.774 -69.708 46.725 1.00 85.08 S
737
+ ATOM 737 N ASP A 101 9.062 -74.086 46.083 1.00 85.64 N
738
+ ATOM 738 CA ASP A 101 9.505 -75.450 46.399 1.00 87.11 C
739
+ ATOM 739 C ASP A 101 10.392 -75.456 47.642 1.00 88.04 C
740
+ ATOM 740 O ASP A 101 11.146 -74.505 47.846 1.00 88.46 O
741
+ ATOM 741 OXT ASP A 101 10.348 -76.381 48.406 1.00 0.00 O
742
+ ATOM 742 CB ASP A 101 10.292 -76.052 45.224 1.00 89.34 C
743
+ ATOM 743 CG ASP A 101 9.645 -75.855 43.864 1.00 94.60 C
744
+ ATOM 744 OD1 ASP A 101 8.507 -76.336 43.674 1.00 95.55 O
745
+ ATOM 745 OD2 ASP A 101 10.285 -75.233 42.986 1.00 96.97 O
746
+ TER 746 ASP A 101
747
+ END
sabdab_v0.5.2_diffab_chothia/raw_pdbs/3416_8ds5_CB.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/5394_7chf_R.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/5923_5tlj_DC.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/5923_5tlj_DC_X.pdb ADDED
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sabdab_v0.5.2_diffab_chothia/raw_pdbs/5923_5tlj_X.pdb ADDED
@@ -0,0 +1,620 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N LYS A 5 16.744 30.672 54.268 1.00 63.23 N
2
+ ATOM 2 CA LYS A 5 16.104 30.487 52.934 1.00 63.94 C
3
+ ATOM 3 C LYS A 5 15.738 29.011 52.708 1.00 65.32 C
4
+ ATOM 4 O LYS A 5 16.610 28.176 52.432 1.00 64.42 O
5
+ ATOM 5 CB LYS A 5 17.025 31.012 51.822 1.00 61.76 C
6
+ ATOM 6 CG LYS A 5 16.313 31.370 50.523 1.00 60.82 C
7
+ ATOM 7 CD LYS A 5 17.211 31.175 49.306 1.00 62.15 C
8
+ ATOM 8 CE LYS A 5 18.061 32.399 48.988 1.00 61.53 C
9
+ ATOM 9 NZ LYS A 5 18.925 32.183 47.792 1.00 58.53 N
10
+ ATOM 10 N SER A 6 14.444 28.709 52.838 1.00 66.62 N
11
+ ATOM 11 CA SER A 6 13.908 27.345 52.697 1.00 64.59 C
12
+ ATOM 12 C SER A 6 13.021 27.190 51.462 1.00 60.31 C
13
+ ATOM 13 O SER A 6 13.113 26.194 50.743 1.00 58.49 O
14
+ ATOM 14 CB SER A 6 13.119 26.953 53.945 1.00 65.10 C
15
+ ATOM 15 OG SER A 6 11.973 27.769 54.105 1.00 68.28 O
16
+ ATOM 16 N CYS A 7 12.146 28.172 51.252 1.00 57.09 N
17
+ ATOM 17 CA CYS A 7 11.333 28.270 50.047 1.00 55.05 C
18
+ ATOM 18 C CYS A 7 11.634 29.592 49.321 1.00 52.45 C
19
+ ATOM 19 O CYS A 7 11.938 30.596 49.982 1.00 49.33 O
20
+ ATOM 20 CB CYS A 7 9.847 28.147 50.393 1.00 56.84 C
21
+ ATOM 21 SG CYS A 7 9.339 26.507 50.968 1.00 57.18 S
22
+ ATOM 22 N PRO A 8 11.563 29.596 47.965 1.00 51.89 N
23
+ ATOM 23 CA PRO A 8 11.942 30.770 47.156 1.00 52.40 C
24
+ ATOM 24 C PRO A 8 10.970 31.966 47.204 1.00 53.21 C
25
+ ATOM 25 O PRO A 8 10.167 32.082 48.136 1.00 55.61 O
26
+ ATOM 26 CB PRO A 8 12.029 30.196 45.735 1.00 50.83 C
27
+ ATOM 27 CG PRO A 8 11.086 29.048 45.740 1.00 50.39 C
28
+ ATOM 28 CD PRO A 8 11.236 28.440 47.103 1.00 51.00 C
29
+ ATOM 29 N GLU A 9 11.072 32.839 46.198 1.00 51.19 N
30
+ ATOM 30 CA GLU A 9 10.285 34.069 46.076 1.00 50.13 C
31
+ ATOM 31 C GLU A 9 8.777 33.798 45.998 1.00 49.28 C
32
+ ATOM 32 O GLU A 9 8.320 33.045 45.132 1.00 48.87 O
33
+ ATOM 33 CB GLU A 9 10.747 34.848 44.837 1.00 50.68 C
34
+ ATOM 34 CG GLU A 9 10.536 36.354 44.899 1.00 51.19 C
35
+ ATOM 35 CD GLU A 9 11.714 37.087 45.512 1.00 52.40 C
36
+ ATOM 36 OE1 GLU A 9 12.389 37.837 44.775 1.00 52.52 O
37
+ ATOM 37 OE2 GLU A 9 11.971 36.911 46.724 1.00 53.24 O
38
+ ATOM 38 N ARG A 10 8.028 34.440 46.903 1.00 47.90 N
39
+ ATOM 39 CA ARG A 10 6.555 34.319 47.048 1.00 45.94 C
40
+ ATOM 40 C ARG A 10 6.104 32.876 47.345 1.00 42.27 C
41
+ ATOM 41 O ARG A 10 5.123 32.382 46.773 1.00 41.58 O
42
+ ATOM 42 CB ARG A 10 5.782 34.909 45.843 1.00 49.93 C
43
+ ATOM 43 CG ARG A 10 6.390 36.141 45.168 1.00 52.99 C
44
+ ATOM 44 CD ARG A 10 6.024 36.219 43.686 1.00 57.64 C
45
+ ATOM 45 NE ARG A 10 6.074 34.916 43.006 1.00 61.79 N
46
+ ATOM 46 CZ ARG A 10 7.144 34.391 42.406 1.00 63.21 C
47
+ ATOM 47 NH1 ARG A 10 8.302 35.042 42.369 1.00 65.30 N
48
+ ATOM 48 NH2 ARG A 10 7.051 33.199 41.834 1.00 62.44 N
49
+ ATOM 49 N HIS A 11 6.836 32.215 48.243 1.00 39.81 N
50
+ ATOM 50 CA HIS A 11 6.570 30.826 48.637 1.00 37.00 C
51
+ ATOM 51 C HIS A 11 6.615 30.623 50.148 1.00 34.75 C
52
+ ATOM 52 O HIS A 11 7.153 31.455 50.881 1.00 34.25 O
53
+ ATOM 53 CB HIS A 11 7.559 29.879 47.956 1.00 36.33 C
54
+ ATOM 54 CG HIS A 11 7.281 29.660 46.503 1.00 36.42 C
55
+ ATOM 55 ND1 HIS A 11 7.660 30.558 45.530 1.00 36.77 N
56
+ ATOM 56 CD2 HIS A 11 6.663 28.644 45.857 1.00 36.20 C
57
+ ATOM 57 CE1 HIS A 11 7.289 30.106 44.346 1.00 36.53 C
58
+ ATOM 58 NE2 HIS A 11 6.685 28.944 44.516 1.00 36.17 N
59
+ ATOM 59 N TYR A 12 6.041 29.511 50.600 1.00 34.38 N
60
+ ATOM 60 CA TYR A 12 6.028 29.149 52.016 1.00 36.71 C
61
+ ATOM 61 C TYR A 12 6.130 27.639 52.206 1.00 34.83 C
62
+ ATOM 62 O TYR A 12 5.657 26.870 51.368 1.00 35.95 O
63
+ ATOM 63 CB TYR A 12 4.775 29.705 52.722 1.00 41.10 C
64
+ ATOM 64 CG TYR A 12 3.448 29.229 52.150 1.00 44.92 C
65
+ ATOM 65 CD1 TYR A 12 2.814 29.939 51.127 1.00 46.07 C
66
+ ATOM 66 CD2 TYR A 12 2.819 28.074 52.641 1.00 46.51 C
67
+ ATOM 67 CE1 TYR A 12 1.602 29.509 50.603 1.00 46.97 C
68
+ ATOM 68 CE2 TYR A 12 1.605 27.638 52.118 1.00 46.48 C
69
+ ATOM 69 CZ TYR A 12 1.003 28.361 51.098 1.00 47.10 C
70
+ ATOM 70 OH TYR A 12 -0.194 27.948 50.564 1.00 49.06 O
71
+ ATOM 71 N TRP A 13 6.748 27.230 53.312 1.00 32.40 N
72
+ ATOM 72 CA TRP A 13 6.805 25.828 53.724 1.00 31.26 C
73
+ ATOM 73 C TRP A 13 5.413 25.427 54.248 1.00 34.32 C
74
+ ATOM 74 O TRP A 13 4.945 25.973 55.253 1.00 35.57 O
75
+ ATOM 75 CB TRP A 13 7.913 25.660 54.774 1.00 27.02 C
76
+ ATOM 76 CG TRP A 13 8.340 24.258 55.063 1.00 24.48 C
77
+ ATOM 77 CD1 TRP A 13 8.255 23.623 56.259 1.00 24.68 C
78
+ ATOM 78 CD2 TRP A 13 8.938 23.321 54.154 1.00 24.10 C
79
+ ATOM 79 NE1 TRP A 13 8.755 22.349 56.164 1.00 24.83 N
80
+ ATOM 80 CE2 TRP A 13 9.173 22.130 54.881 1.00 24.17 C
81
+ ATOM 81 CE3 TRP A 13 9.291 23.365 52.797 1.00 24.27 C
82
+ ATOM 82 CZ2 TRP A 13 9.749 20.990 54.300 1.00 23.90 C
83
+ ATOM 83 CZ3 TRP A 13 9.865 22.228 52.216 1.00 24.24 C
84
+ ATOM 84 CH2 TRP A 13 10.087 21.058 52.972 1.00 24.04 C
85
+ ATOM 85 N ALA A 14 4.756 24.495 53.548 1.00 36.16 N
86
+ ATOM 86 CA ALA A 14 3.312 24.234 53.715 1.00 38.37 C
87
+ ATOM 87 C ALA A 14 2.872 23.485 54.988 1.00 42.07 C
88
+ ATOM 88 O ALA A 14 2.419 24.118 55.946 1.00 42.28 O
89
+ ATOM 89 CB ALA A 14 2.740 23.570 52.471 1.00 37.69 C
90
+ ATOM 90 N GLN A 15 2.981 22.155 54.981 1.00 47.03 N
91
+ ATOM 91 CA GLN A 15 2.529 21.311 56.101 1.00 52.57 C
92
+ ATOM 92 C GLN A 15 3.711 20.652 56.820 1.00 56.91 C
93
+ ATOM 93 O GLN A 15 3.557 19.628 57.504 1.00 59.61 O
94
+ ATOM 94 CB GLN A 15 1.541 20.238 55.609 1.00 53.33 C
95
+ ATOM 95 CG GLN A 15 0.249 20.760 54.985 1.00 55.65 C
96
+ ATOM 96 CD GLN A 15 -0.698 21.422 55.975 1.00 56.63 C
97
+ ATOM 97 OE1 GLN A 15 -0.634 21.187 57.183 1.00 57.38 O
98
+ ATOM 98 NE2 GLN A 15 -1.594 22.254 55.457 1.00 56.74 N
99
+ ATOM 99 N GLY A 16 4.884 21.266 56.673 1.00 57.24 N
100
+ ATOM 100 CA GLY A 16 6.150 20.649 57.050 1.00 57.12 C
101
+ ATOM 101 C GLY A 16 6.678 19.763 55.934 1.00 56.21 C
102
+ ATOM 102 O GLY A 16 7.710 19.107 56.095 1.00 59.04 O
103
+ ATOM 103 N LYS A 17 5.979 19.770 54.798 1.00 54.46 N
104
+ ATOM 104 CA LYS A 17 6.203 18.818 53.712 1.00 54.75 C
105
+ ATOM 105 C LYS A 17 6.854 19.441 52.476 1.00 54.79 C
106
+ ATOM 106 O LYS A 17 7.869 18.933 51.993 1.00 56.37 O
107
+ ATOM 107 CB LYS A 17 4.884 18.121 53.334 1.00 52.69 C
108
+ ATOM 108 CG LYS A 17 5.029 16.991 52.326 1.00 50.96 C
109
+ ATOM 109 CD LYS A 17 3.687 16.364 51.991 1.00 51.70 C
110
+ ATOM 110 CE LYS A 17 3.832 15.303 50.911 1.00 51.20 C
111
+ ATOM 111 NZ LYS A 17 2.603 14.481 50.756 1.00 50.32 N
112
+ ATOM 112 N LEU A 18 6.266 20.530 51.972 1.00 51.58 N
113
+ ATOM 113 CA LEU A 18 6.614 21.073 50.650 1.00 46.80 C
114
+ ATOM 114 C LEU A 18 6.358 22.574 50.498 1.00 44.66 C
115
+ ATOM 115 O LEU A 18 5.540 23.146 51.221 1.00 41.50 O
116
+ ATOM 116 CB LEU A 18 5.882 20.288 49.543 1.00 45.66 C
117
+ ATOM 117 CG LEU A 18 4.453 19.769 49.765 1.00 44.55 C
118
+ ATOM 118 CD1 LEU A 18 3.400 20.830 49.491 1.00 43.66 C
119
+ ATOM 119 CD2 LEU A 18 4.208 18.551 48.892 1.00 45.81 C
120
+ ATOM 120 N CYS A 19 7.070 23.196 49.553 1.00 45.88 N
121
+ ATOM 121 CA CYS A 19 6.870 24.606 49.197 1.00 46.54 C
122
+ ATOM 122 C CYS A 19 5.605 24.801 48.346 1.00 41.60 C
123
+ ATOM 123 O CYS A 19 5.587 24.474 47.155 1.00 39.12 O
124
+ ATOM 124 CB CYS A 19 8.098 25.194 48.471 1.00 50.39 C
125
+ ATOM 125 SG CYS A 19 9.669 25.264 49.382 1.00 56.33 S
126
+ ATOM 126 N CYS A 20 4.547 25.306 48.980 1.00 39.46 N
127
+ ATOM 127 CA CYS A 20 3.355 25.780 48.276 1.00 38.96 C
128
+ ATOM 128 C CYS A 20 3.505 27.261 47.954 1.00 38.20 C
129
+ ATOM 129 O CYS A 20 4.078 28.018 48.744 1.00 38.43 O
130
+ ATOM 130 CB CYS A 20 2.093 25.577 49.117 1.00 40.48 C
131
+ ATOM 131 SG CYS A 20 1.390 23.911 49.149 1.00 40.71 S
132
+ ATOM 132 N GLN A 21 2.981 27.666 46.797 1.00 37.63 N
133
+ ATOM 133 CA GLN A 21 3.015 29.065 46.354 1.00 37.20 C
134
+ ATOM 134 C GLN A 21 2.060 29.912 47.181 1.00 38.76 C
135
+ ATOM 135 O GLN A 21 0.946 29.472 47.492 1.00 40.81 O
136
+ ATOM 136 CB GLN A 21 2.634 29.187 44.876 1.00 35.28 C
137
+ ATOM 137 CG GLN A 21 3.509 28.393 43.918 1.00 33.35 C
138
+ ATOM 138 CD GLN A 21 3.196 28.653 42.455 1.00 32.13 C
139
+ ATOM 139 OE1 GLN A 21 2.963 29.791 42.038 1.00 31.42 O
140
+ ATOM 140 NE2 GLN A 21 3.205 27.592 41.662 1.00 31.83 N
141
+ ATOM 141 N MET A 22 2.506 31.120 47.536 1.00 38.29 N
142
+ ATOM 142 CA MET A 22 1.653 32.127 48.174 1.00 37.20 C
143
+ ATOM 143 C MET A 22 0.509 32.508 47.239 1.00 36.81 C
144
+ ATOM 144 O MET A 22 0.596 32.303 46.022 1.00 36.00 O
145
+ ATOM 145 CB MET A 22 2.462 33.371 48.554 1.00 38.45 C
146
+ ATOM 146 CG MET A 22 3.054 33.339 49.953 1.00 40.77 C
147
+ ATOM 147 SD MET A 22 3.876 34.885 50.396 1.00 44.05 S
148
+ ATOM 148 CE MET A 22 4.362 34.566 52.092 1.00 43.02 C
149
+ ATOM 149 N CYS A 23 -0.565 33.041 47.813 1.00 37.48 N
150
+ ATOM 150 CA CYS A 23 -1.715 33.473 47.028 1.00 39.14 C
151
+ ATOM 151 C CYS A 23 -1.470 34.800 46.326 1.00 38.89 C
152
+ ATOM 152 O CYS A 23 -0.783 35.677 46.860 1.00 37.92 O
153
+ ATOM 153 CB CYS A 23 -2.976 33.545 47.887 1.00 41.41 C
154
+ ATOM 154 SG CYS A 23 -3.798 31.955 48.144 1.00 46.29 S
155
+ ATOM 155 N GLU A 24 -2.037 34.915 45.122 1.00 39.31 N
156
+ ATOM 156 CA GLU A 24 -1.988 36.126 44.292 1.00 38.03 C
157
+ ATOM 157 C GLU A 24 -2.627 37.319 45.011 1.00 34.59 C
158
+ ATOM 158 O GLU A 24 -3.620 37.139 45.727 1.00 34.67 O
159
+ ATOM 159 CB GLU A 24 -2.706 35.891 42.953 1.00 39.99 C
160
+ ATOM 160 CG GLU A 24 -2.018 34.912 42.004 1.00 41.95 C
161
+ ATOM 161 CD GLU A 24 -0.839 35.513 41.251 1.00 42.77 C
162
+ ATOM 162 OE1 GLU A 24 -0.973 36.627 40.692 1.00 43.00 O
163
+ ATOM 163 OE2 GLU A 24 0.222 34.855 41.201 1.00 42.52 O
164
+ ATOM 164 N PRO A 25 -2.061 38.534 44.833 1.00 31.51 N
165
+ ATOM 165 CA PRO A 25 -2.681 39.703 45.447 1.00 30.52 C
166
+ ATOM 166 C PRO A 25 -4.100 39.864 44.911 1.00 30.63 C
167
+ ATOM 167 O PRO A 25 -4.298 39.994 43.696 1.00 31.86 O
168
+ ATOM 168 CB PRO A 25 -1.784 40.860 44.994 1.00 30.67 C
169
+ ATOM 169 CG PRO A 25 -0.487 40.227 44.627 1.00 30.56 C
170
+ ATOM 170 CD PRO A 25 -0.868 38.903 44.049 1.00 30.98 C
171
+ ATOM 171 N GLY A 26 -5.073 39.797 45.817 1.00 29.29 N
172
+ ATOM 172 CA GLY A 26 -6.489 39.819 45.451 1.00 27.54 C
173
+ ATOM 173 C GLY A 26 -7.258 38.558 45.807 1.00 26.09 C
174
+ ATOM 174 O GLY A 26 -8.471 38.505 45.620 1.00 25.81 O
175
+ ATOM 175 N THR A 27 -6.555 37.544 46.313 1.00 25.22 N
176
+ ATOM 176 CA THR A 27 -7.172 36.271 46.717 1.00 24.55 C
177
+ ATOM 177 C THR A 27 -6.967 36.012 48.221 1.00 25.69 C
178
+ ATOM 178 O THR A 27 -6.403 36.862 48.918 1.00 25.74 O
179
+ ATOM 179 CB THR A 27 -6.625 35.088 45.885 1.00 23.00 C
180
+ ATOM 180 OG1 THR A 27 -5.201 35.034 45.999 1.00 21.85 O
181
+ ATOM 181 CG2 THR A 27 -6.993 35.226 44.416 1.00 22.89 C
182
+ ATOM 182 N PHE A 28 -7.462 34.871 48.715 1.00 26.62 N
183
+ ATOM 183 CA PHE A 28 -7.118 34.351 50.055 1.00 27.36 C
184
+ ATOM 184 C PHE A 28 -6.794 32.861 50.014 1.00 28.38 C
185
+ ATOM 185 O PHE A 28 -7.261 32.154 49.119 1.00 29.81 O
186
+ ATOM 186 CB PHE A 28 -8.216 34.641 51.094 1.00 27.71 C
187
+ ATOM 187 CG PHE A 28 -9.543 33.984 50.806 1.00 27.98 C
188
+ ATOM 188 CD1 PHE A 28 -9.778 32.646 51.150 1.00 28.56 C
189
+ ATOM 189 CD2 PHE A 28 -10.578 34.713 50.225 1.00 27.71 C
190
+ ATOM 190 CE1 PHE A 28 -11.005 32.048 50.890 1.00 28.69 C
191
+ ATOM 191 CE2 PHE A 28 -11.807 34.124 49.970 1.00 28.24 C
192
+ ATOM 192 CZ PHE A 28 -12.022 32.791 50.302 1.00 28.84 C
193
+ ATOM 193 N LEU A 29 -6.016 32.385 50.986 1.00 29.23 N
194
+ ATOM 194 CA LEU A 29 -5.609 30.978 51.018 1.00 31.63 C
195
+ ATOM 195 C LEU A 29 -6.670 30.066 51.624 1.00 34.13 C
196
+ ATOM 196 O LEU A 29 -7.164 30.318 52.726 1.00 35.32 O
197
+ ATOM 197 CB LEU A 29 -4.247 30.800 51.712 1.00 31.78 C
198
+ ATOM 198 CG LEU A 29 -3.692 29.403 52.056 1.00 32.35 C
199
+ ATOM 199 CD1 LEU A 29 -3.561 28.479 50.855 1.00 31.53 C
200
+ ATOM 200 CD2 LEU A 29 -2.350 29.534 52.758 1.00 33.69 C
201
+ ATOM 201 N VAL A 30 -7.006 29.012 50.879 1.00 36.24 N
202
+ ATOM 202 CA VAL A 30 -7.899 27.954 51.354 1.00 38.74 C
203
+ ATOM 203 C VAL A 30 -7.026 26.766 51.779 1.00 42.30 C
204
+ ATOM 204 O VAL A 30 -6.626 26.685 52.946 1.00 44.23 O
205
+ ATOM 205 CB VAL A 30 -8.984 27.555 50.313 1.00 38.10 C
206
+ ATOM 206 CG1 VAL A 30 -10.065 26.698 50.963 1.00 37.27 C
207
+ ATOM 207 CG2 VAL A 30 -9.621 28.786 49.675 1.00 38.16 C
208
+ ATOM 208 N LYS A 31 -6.710 25.874 50.840 1.00 44.90 N
209
+ ATOM 209 CA LYS A 31 -5.879 24.708 51.138 1.00 49.24 C
210
+ ATOM 210 C LYS A 31 -4.428 24.913 50.703 1.00 50.50 C
211
+ ATOM 211 O LYS A 31 -4.160 25.392 49.596 1.00 49.52 O
212
+ ATOM 212 CB LYS A 31 -6.467 23.427 50.514 1.00 51.30 C
213
+ ATOM 213 CG LYS A 31 -5.820 22.139 51.022 1.00 53.46 C
214
+ ATOM 214 CD LYS A 31 -6.606 20.885 50.672 1.00 54.37 C
215
+ ATOM 215 CE LYS A 31 -5.968 19.661 51.318 1.00 52.96 C
216
+ ATOM 216 NZ LYS A 31 -6.847 18.460 51.272 1.00 52.02 N
217
+ ATOM 217 N ASP A 32 -3.506 24.560 51.601 1.00 52.50 N
218
+ ATOM 218 CA ASP A 32 -2.091 24.395 51.268 1.00 52.92 C
219
+ ATOM 219 C ASP A 32 -1.983 23.215 50.303 1.00 51.62 C
220
+ ATOM 220 O ASP A 32 -2.455 22.112 50.607 1.00 55.43 O
221
+ ATOM 221 CB ASP A 32 -1.248 24.134 52.528 1.00 53.85 C
222
+ ATOM 222 CG ASP A 32 -1.430 25.204 53.604 1.00 55.06 C
223
+ ATOM 223 OD1 ASP A 32 -1.189 26.399 53.330 1.00 54.68 O
224
+ ATOM 224 OD2 ASP A 32 -1.802 24.841 54.739 1.00 56.18 O
225
+ ATOM 225 N CYS A 33 -1.376 23.468 49.144 1.00 46.92 N
226
+ ATOM 226 CA CYS A 33 -1.310 22.529 48.011 1.00 46.12 C
227
+ ATOM 227 C CYS A 33 -0.753 21.123 48.312 1.00 46.54 C
228
+ ATOM 228 O CYS A 33 -0.096 20.907 49.335 1.00 47.53 O
229
+ ATOM 229 CB CYS A 33 -0.510 23.168 46.875 1.00 44.13 C
230
+ ATOM 230 SG CYS A 33 1.260 23.360 47.197 1.00 43.29 S
231
+ ATOM 231 N ASP A 34 -1.020 20.186 47.400 1.00 45.55 N
232
+ ATOM 232 CA ASP A 34 -0.593 18.787 47.538 1.00 45.42 C
233
+ ATOM 233 C ASP A 34 0.616 18.386 46.668 1.00 45.24 C
234
+ ATOM 234 O ASP A 34 1.094 17.249 46.753 1.00 44.09 O
235
+ ATOM 235 CB ASP A 34 -1.780 17.825 47.323 1.00 47.49 C
236
+ ATOM 236 CG ASP A 34 -2.626 18.168 46.091 1.00 48.21 C
237
+ ATOM 237 OD1 ASP A 34 -2.066 18.403 44.994 1.00 48.66 O
238
+ ATOM 238 OD2 ASP A 34 -3.868 18.191 46.225 1.00 46.98 O
239
+ ATOM 239 N GLN A 35 1.105 19.317 45.847 1.00 46.86 N
240
+ ATOM 240 CA GLN A 35 2.310 19.095 45.039 1.00 51.05 C
241
+ ATOM 241 C GLN A 35 3.376 20.172 45.239 1.00 49.94 C
242
+ ATOM 242 O GLN A 35 3.059 21.365 45.290 1.00 49.27 O
243
+ ATOM 243 CB GLN A 35 1.964 18.973 43.554 1.00 58.61 C
244
+ ATOM 244 CG GLN A 35 1.772 17.541 43.073 1.00 67.83 C
245
+ ATOM 245 CD GLN A 35 2.118 17.358 41.601 1.00 73.61 C
246
+ ATOM 246 OE1 GLN A 35 1.587 18.051 40.729 1.00 72.94 O
247
+ ATOM 247 NE2 GLN A 35 3.009 16.412 41.319 1.00 77.77 N
248
+ ATOM 248 N HIS A 36 4.634 19.731 45.336 1.00 49.33 N
249
+ ATOM 249 CA HIS A 36 5.799 20.608 45.545 1.00 49.02 C
250
+ ATOM 250 C HIS A 36 6.035 21.541 44.351 1.00 46.05 C
251
+ ATOM 251 O HIS A 36 6.095 21.089 43.202 1.00 44.88 O
252
+ ATOM 252 CB HIS A 36 7.056 19.775 45.865 1.00 50.32 C
253
+ ATOM 253 CG HIS A 36 8.262 20.590 46.238 1.00 49.07 C
254
+ ATOM 254 ND1 HIS A 36 8.309 21.387 47.363 1.00 47.56 N
255
+ ATOM 255 CD2 HIS A 36 9.475 20.709 45.646 1.00 48.04 C
256
+ ATOM 256 CE1 HIS A 36 9.489 21.974 47.438 1.00 46.27 C
257
+ ATOM 257 NE2 HIS A 36 10.217 21.577 46.410 1.00 46.96 N
258
+ ATOM 258 N ARG A 37 6.164 22.835 44.667 1.00 43.90 N
259
+ ATOM 259 CA ARG A 37 6.276 23.969 43.717 1.00 42.75 C
260
+ ATOM 260 C ARG A 37 4.953 24.484 43.131 1.00 42.97 C
261
+ ATOM 261 O ARG A 37 4.900 25.607 42.616 1.00 41.91 O
262
+ ATOM 262 CB ARG A 37 7.297 23.719 42.600 1.00 41.81 C
263
+ ATOM 263 CG ARG A 37 8.725 24.058 42.969 1.00 41.29 C
264
+ ATOM 264 CD ARG A 37 9.593 23.945 41.736 1.00 41.25 C
265
+ ATOM 265 NE ARG A 37 11.004 24.155 42.031 1.00 42.30 N
266
+ ATOM 266 CZ ARG A 37 11.984 24.007 41.145 1.00 44.02 C
267
+ ATOM 267 NH1 ARG A 37 11.722 23.647 39.896 1.00 43.36 N
268
+ ATOM 268 NH2 ARG A 37 13.235 24.221 41.511 1.00 46.50 N
269
+ ATOM 269 N LYS A 38 3.901 23.670 43.218 1.00 43.79 N
270
+ ATOM 270 CA LYS A 38 2.590 24.021 42.666 1.00 45.29 C
271
+ ATOM 271 C LYS A 38 1.852 25.095 43.471 1.00 44.40 C
272
+ ATOM 272 O LYS A 38 2.166 25.340 44.639 1.00 42.53 O
273
+ ATOM 273 CB LYS A 38 1.720 22.772 42.479 1.00 47.22 C
274
+ ATOM 274 CG LYS A 38 1.835 22.156 41.094 1.00 49.46 C
275
+ ATOM 275 CD LYS A 38 0.604 21.330 40.751 1.00 52.64 C
276
+ ATOM 276 CE LYS A 38 0.341 21.297 39.251 1.00 54.36 C
277
+ ATOM 277 NZ LYS A 38 1.312 20.459 38.492 1.00 56.10 N
278
+ ATOM 278 N ALA A 39 0.885 25.738 42.814 1.00 45.65 N
279
+ ATOM 279 CA ALA A 39 0.058 26.782 43.420 1.00 45.41 C
280
+ ATOM 280 C ALA A 39 -0.959 26.207 44.409 1.00 45.33 C
281
+ ATOM 281 O ALA A 39 -1.329 25.027 44.333 1.00 43.03 O
282
+ ATOM 282 CB ALA A 39 -0.640 27.607 42.340 1.00 43.49 C
283
+ ATOM 283 N ALA A 40 -1.389 27.059 45.338 1.00 47.10 N
284
+ ATOM 284 CA ALA A 40 -2.409 26.721 46.326 1.00 48.68 C
285
+ ATOM 285 C ALA A 40 -3.789 27.186 45.858 1.00 48.95 C
286
+ ATOM 286 O ALA A 40 -3.895 28.013 44.945 1.00 50.39 O
287
+ ATOM 287 CB ALA A 40 -2.054 27.344 47.668 1.00 48.51 C
288
+ ATOM 288 N GLN A 41 -4.837 26.637 46.476 1.00 48.85 N
289
+ ATOM 289 CA GLN A 41 -6.212 27.065 46.223 1.00 50.66 C
290
+ ATOM 290 C GLN A 41 -6.386 28.501 46.721 1.00 50.16 C
291
+ ATOM 291 O GLN A 41 -6.370 28.761 47.931 1.00 49.91 O
292
+ ATOM 292 CB GLN A 41 -7.209 26.109 46.893 1.00 54.01 C
293
+ ATOM 293 CG GLN A 41 -8.655 26.258 46.431 1.00 57.47 C
294
+ ATOM 294 CD GLN A 41 -9.584 25.207 47.019 1.00 62.31 C
295
+ ATOM 295 OE1 GLN A 41 -9.484 24.850 48.194 1.00 64.47 O
296
+ ATOM 296 NE2 GLN A 41 -10.505 24.712 46.198 1.00 65.99 N
297
+ ATOM 297 N CYS A 42 -6.517 29.425 45.771 1.00 49.55 N
298
+ ATOM 298 CA CYS A 42 -6.616 30.852 46.068 1.00 48.20 C
299
+ ATOM 299 C CYS A 42 -7.896 31.462 45.494 1.00 46.59 C
300
+ ATOM 300 O CYS A 42 -7.916 31.971 44.367 1.00 47.17 O
301
+ ATOM 301 CB CYS A 42 -5.370 31.594 45.572 1.00 49.04 C
302
+ ATOM 302 SG CYS A 42 -3.818 31.051 46.320 1.00 48.61 S
303
+ ATOM 303 N ASP A 43 -8.967 31.386 46.281 1.00 44.36 N
304
+ ATOM 304 CA ASP A 43 -10.251 31.968 45.911 1.00 42.96 C
305
+ ATOM 305 C ASP A 43 -10.215 33.485 46.093 1.00 41.01 C
306
+ ATOM 306 O ASP A 43 -9.694 33.966 47.102 1.00 41.23 O
307
+ ATOM 307 CB ASP A 43 -11.387 31.329 46.716 1.00 44.62 C
308
+ ATOM 308 CG ASP A 43 -11.743 29.923 46.228 1.00 46.51 C
309
+ ATOM 309 OD1 ASP A 43 -10.880 29.228 45.645 1.00 46.30 O
310
+ ATOM 310 OD2 ASP A 43 -12.901 29.505 46.438 1.00 47.61 O
311
+ ATOM 311 N PRO A 44 -10.749 34.241 45.107 1.00 40.09 N
312
+ ATOM 312 CA PRO A 44 -10.699 35.710 45.112 1.00 39.88 C
313
+ ATOM 313 C PRO A 44 -11.520 36.359 46.222 1.00 38.37 C
314
+ ATOM 314 O PRO A 44 -12.516 35.783 46.666 1.00 38.90 O
315
+ ATOM 315 CB PRO A 44 -11.290 36.084 43.748 1.00 40.56 C
316
+ ATOM 316 CG PRO A 44 -12.143 34.922 43.369 1.00 40.57 C
317
+ ATOM 317 CD PRO A 44 -11.396 33.731 43.883 1.00 40.01 C
318
+ ATOM 318 N CYS A 45 -11.093 37.549 46.653 1.00 37.44 N
319
+ ATOM 319 CA CYS A 45 -11.876 38.383 47.571 1.00 37.85 C
320
+ ATOM 320 C CYS A 45 -13.121 38.921 46.849 1.00 35.45 C
321
+ ATOM 321 O CYS A 45 -13.245 38.795 45.624 1.00 36.55 O
322
+ ATOM 322 CB CYS A 45 -11.046 39.556 48.129 1.00 41.41 C
323
+ ATOM 323 SG CYS A 45 -9.378 39.222 48.767 1.00 46.84 S
324
+ ATOM 324 N ILE A 46 -14.040 39.504 47.617 1.00 31.99 N
325
+ ATOM 325 CA ILE A 46 -15.222 40.184 47.080 1.00 29.09 C
326
+ ATOM 326 C ILE A 46 -14.785 41.526 46.456 1.00 27.88 C
327
+ ATOM 327 O ILE A 46 -13.970 42.234 47.050 1.00 28.66 O
328
+ ATOM 328 CB ILE A 46 -16.285 40.407 48.192 1.00 28.26 C
329
+ ATOM 329 CG1 ILE A 46 -16.620 39.082 48.894 1.00 27.28 C
330
+ ATOM 330 CG2 ILE A 46 -17.556 41.049 47.635 1.00 28.65 C
331
+ ATOM 331 CD1 ILE A 46 -17.029 39.221 50.347 1.00 26.78 C
332
+ ATOM 332 N PRO A 47 -15.292 41.864 45.247 1.00 26.18 N
333
+ ATOM 333 CA PRO A 47 -15.090 43.228 44.744 1.00 26.49 C
334
+ ATOM 334 C PRO A 47 -15.983 44.236 45.474 1.00 28.03 C
335
+ ATOM 335 O PRO A 47 -17.208 44.068 45.522 1.00 28.18 O
336
+ ATOM 336 CB PRO A 47 -15.480 43.132 43.264 1.00 25.71 C
337
+ ATOM 337 CG PRO A 47 -15.529 41.682 42.952 1.00 25.24 C
338
+ ATOM 338 CD PRO A 47 -15.898 40.996 44.225 1.00 25.59 C
339
+ ATOM 339 N GLY A 48 -15.357 45.263 46.046 1.00 29.69 N
340
+ ATOM 340 CA GLY A 48 -16.056 46.282 46.830 1.00 32.08 C
341
+ ATOM 341 C GLY A 48 -15.908 46.131 48.337 1.00 34.12 C
342
+ ATOM 342 O GLY A 48 -15.847 47.131 49.064 1.00 34.93 O
343
+ ATOM 343 N VAL A 49 -15.845 44.883 48.800 1.00 35.20 N
344
+ ATOM 344 CA VAL A 49 -15.810 44.571 50.232 1.00 35.72 C
345
+ ATOM 345 C VAL A 49 -14.388 44.298 50.736 1.00 35.70 C
346
+ ATOM 346 O VAL A 49 -13.927 44.952 51.670 1.00 35.73 O
347
+ ATOM 347 CB VAL A 49 -16.767 43.402 50.585 1.00 35.72 C
348
+ ATOM 348 CG1 VAL A 49 -16.574 42.943 52.023 1.00 37.33 C
349
+ ATOM 349 CG2 VAL A 49 -18.218 43.808 50.359 1.00 35.73 C
350
+ ATOM 350 N SER A 50 -13.705 43.340 50.119 1.00 35.84 N
351
+ ATOM 351 CA SER A 50 -12.415 42.877 50.620 1.00 38.17 C
352
+ ATOM 352 C SER A 50 -11.297 42.897 49.572 1.00 42.18 C
353
+ ATOM 353 O SER A 50 -11.563 42.970 48.368 1.00 43.93 O
354
+ ATOM 354 CB SER A 50 -12.562 41.490 51.259 1.00 37.29 C
355
+ ATOM 355 OG SER A 50 -13.328 40.619 50.449 1.00 36.83 O
356
+ ATOM 356 N PHE A 51 -10.050 42.844 50.047 1.00 44.20 N
357
+ ATOM 357 CA PHE A 51 -8.860 42.934 49.190 1.00 44.55 C
358
+ ATOM 358 C PHE A 51 -7.645 42.199 49.771 1.00 43.70 C
359
+ ATOM 359 O PHE A 51 -7.697 41.687 50.894 1.00 43.60 O
360
+ ATOM 360 CB PHE A 51 -8.512 44.412 48.910 1.00 46.35 C
361
+ ATOM 361 CG PHE A 51 -7.815 45.107 50.052 1.00 48.60 C
362
+ ATOM 362 CD1 PHE A 51 -8.530 45.541 51.173 1.00 49.76 C
363
+ ATOM 363 CD2 PHE A 51 -6.437 45.338 50.007 1.00 50.26 C
364
+ ATOM 364 CE1 PHE A 51 -7.884 46.171 52.231 1.00 52.18 C
365
+ ATOM 365 CE2 PHE A 51 -5.786 45.973 51.061 1.00 52.53 C
366
+ ATOM 366 CZ PHE A 51 -6.510 46.389 52.174 1.00 53.36 C
367
+ ATOM 367 N SER A 52 -6.576 42.136 48.973 1.00 43.50 N
368
+ ATOM 368 CA SER A 52 -5.208 41.836 49.430 1.00 43.90 C
369
+ ATOM 369 C SER A 52 -4.199 42.411 48.420 1.00 45.61 C
370
+ ATOM 370 O SER A 52 -4.300 42.122 47.223 1.00 48.08 O
371
+ ATOM 371 CB SER A 52 -4.978 40.333 49.672 1.00 41.84 C
372
+ ATOM 372 OG SER A 52 -5.479 39.536 48.615 1.00 40.30 O
373
+ ATOM 373 N PRO A 53 -3.239 43.242 48.892 1.00 44.90 N
374
+ ATOM 374 CA PRO A 53 -2.339 43.953 47.972 1.00 46.57 C
375
+ ATOM 375 C PRO A 53 -1.055 43.212 47.564 1.00 50.72 C
376
+ ATOM 376 O PRO A 53 -0.453 43.560 46.542 1.00 51.42 O
377
+ ATOM 377 CB PRO A 53 -1.994 45.230 48.743 1.00 44.69 C
378
+ ATOM 378 CG PRO A 53 -2.172 44.883 50.184 1.00 44.01 C
379
+ ATOM 379 CD PRO A 53 -2.989 43.624 50.295 1.00 44.10 C
380
+ ATOM 380 N ASP A 54 -0.654 42.208 48.341 1.00 56.23 N
381
+ ATOM 381 CA ASP A 54 0.629 41.520 48.148 1.00 62.30 C
382
+ ATOM 382 C ASP A 54 0.474 40.007 47.999 1.00 62.89 C
383
+ ATOM 383 O ASP A 54 -0.573 39.448 48.342 1.00 65.41 O
384
+ ATOM 384 CB ASP A 54 1.568 41.835 49.323 1.00 67.07 C
385
+ ATOM 385 CG ASP A 54 1.080 41.249 50.650 1.00 70.72 C
386
+ ATOM 386 OD1 ASP A 54 -0.121 41.387 50.977 1.00 73.71 O
387
+ ATOM 387 OD2 ASP A 54 1.907 40.654 51.372 1.00 72.46 O
388
+ ATOM 388 N HIS A 55 1.519 39.358 47.477 1.00 61.20 N
389
+ ATOM 389 CA HIS A 55 1.629 37.898 47.499 1.00 59.98 C
390
+ ATOM 390 C HIS A 55 1.696 37.483 48.966 1.00 55.02 C
391
+ ATOM 391 O HIS A 55 2.622 37.872 49.684 1.00 52.85 O
392
+ ATOM 392 CB HIS A 55 2.874 37.411 46.744 1.00 65.51 C
393
+ ATOM 393 CG HIS A 55 2.993 37.939 45.346 1.00 69.56 C
394
+ ATOM 394 ND1 HIS A 55 3.782 39.024 45.025 1.00 71.91 N
395
+ ATOM 395 CD2 HIS A 55 2.439 37.521 44.183 1.00 70.81 C
396
+ ATOM 396 CE1 HIS A 55 3.702 39.257 43.727 1.00 72.44 C
397
+ ATOM 397 NE2 HIS A 55 2.893 38.360 43.193 1.00 72.07 N
398
+ ATOM 398 N HIS A 56 0.695 36.729 49.414 1.00 54.16 N
399
+ ATOM 399 CA HIS A 56 0.510 36.472 50.845 1.00 55.25 C
400
+ ATOM 400 C HIS A 56 0.023 35.052 51.161 1.00 53.78 C
401
+ ATOM 401 O HIS A 56 -0.234 34.261 50.248 1.00 56.04 O
402
+ ATOM 402 CB HIS A 56 -0.419 37.543 51.447 1.00 57.16 C
403
+ ATOM 403 CG HIS A 56 -1.876 37.205 51.369 1.00 57.24 C
404
+ ATOM 404 ND1 HIS A 56 -2.819 37.123 52.336 1.00 56.96 N
405
+ ATOM 405 CD2 HIS A 56 -2.514 36.900 50.187 1.00 58.40 C
406
+ ATOM 406 CE1 HIS A 56 -3.997 36.771 51.727 1.00 57.20 C
407
+ ATOM 407 NE2 HIS A 56 -3.785 36.640 50.430 1.00 58.21 N
408
+ ATOM 408 N THR A 57 -0.107 34.746 52.455 1.00 50.15 N
409
+ ATOM 409 CA THR A 57 -0.466 33.401 52.925 1.00 47.24 C
410
+ ATOM 410 C THR A 57 -1.572 33.372 54.009 1.00 44.91 C
411
+ ATOM 411 O THR A 57 -1.797 32.341 54.650 1.00 42.68 O
412
+ ATOM 412 CB THR A 57 0.802 32.601 53.347 1.00 47.90 C
413
+ ATOM 413 OG1 THR A 57 0.446 31.250 53.660 1.00 47.88 O
414
+ ATOM 414 CG2 THR A 57 1.526 33.246 54.546 1.00 47.80 C
415
+ ATOM 415 N ARG A 58 -2.260 34.502 54.184 1.00 45.99 N
416
+ ATOM 416 CA ARG A 58 -3.351 34.646 55.163 1.00 48.29 C
417
+ ATOM 417 C ARG A 58 -4.634 33.914 54.721 1.00 50.52 C
418
+ ATOM 418 O ARG A 58 -4.938 33.885 53.524 1.00 50.89 O
419
+ ATOM 419 CB ARG A 58 -3.648 36.129 55.431 1.00 48.00 C
420
+ ATOM 420 CG ARG A 58 -2.546 36.883 56.166 1.00 47.83 C
421
+ ATOM 421 CD ARG A 58 -2.770 38.387 56.110 1.00 46.38 C
422
+ ATOM 422 NE ARG A 58 -2.255 38.973 54.872 1.00 45.35 N
423
+ ATOM 423 CZ ARG A 58 -2.814 39.988 54.215 1.00 46.19 C
424
+ ATOM 424 NH1 ARG A 58 -3.934 40.557 54.652 1.00 45.84 N
425
+ ATOM 425 NH2 ARG A 58 -2.255 40.431 53.098 1.00 47.17 N
426
+ ATOM 426 N PRO A 59 -5.394 33.327 55.682 1.00 52.67 N
427
+ ATOM 427 CA PRO A 59 -6.567 32.515 55.316 1.00 52.29 C
428
+ ATOM 428 C PRO A 59 -7.825 33.296 54.907 1.00 51.83 C
429
+ ATOM 429 O PRO A 59 -8.674 32.737 54.209 1.00 51.35 O
430
+ ATOM 430 CB PRO A 59 -6.833 31.691 56.579 1.00 53.96 C
431
+ ATOM 431 CG PRO A 59 -6.329 32.540 57.692 1.00 56.24 C
432
+ ATOM 432 CD PRO A 59 -5.176 33.337 57.146 1.00 55.52 C
433
+ ATOM 433 N HIS A 60 -7.950 34.550 55.347 1.00 53.17 N
434
+ ATOM 434 CA HIS A 60 -9.083 35.413 54.970 1.00 54.96 C
435
+ ATOM 435 C HIS A 60 -8.672 36.848 54.629 1.00 49.55 C
436
+ ATOM 436 O HIS A 60 -7.844 37.445 55.321 1.00 47.88 O
437
+ ATOM 437 CB HIS A 60 -10.176 35.402 56.049 1.00 63.75 C
438
+ ATOM 438 CG HIS A 60 -11.345 34.519 55.723 1.00 71.51 C
439
+ ATOM 439 ND1 HIS A 60 -12.446 34.967 55.022 1.00 73.76 N
440
+ ATOM 440 CD2 HIS A 60 -11.589 33.217 56.009 1.00 72.80 C
441
+ ATOM 441 CE1 HIS A 60 -13.314 33.980 54.887 1.00 73.04 C
442
+ ATOM 442 NE2 HIS A 60 -12.819 32.907 55.477 1.00 73.07 N
443
+ ATOM 443 N CYS A 61 -9.285 37.382 53.567 1.00 47.61 N
444
+ ATOM 444 CA CYS A 61 -8.975 38.705 52.992 1.00 47.40 C
445
+ ATOM 445 C CYS A 61 -9.072 39.880 53.967 1.00 47.24 C
446
+ ATOM 446 O CYS A 61 -9.723 39.793 55.014 1.00 46.83 O
447
+ ATOM 447 CB CYS A 61 -9.870 39.001 51.776 1.00 47.50 C
448
+ ATOM 448 SG CYS A 61 -9.632 37.944 50.329 1.00 48.17 S
449
+ ATOM 449 N GLU A 62 -8.413 40.974 53.586 1.00 47.83 N
450
+ ATOM 450 CA GLU A 62 -8.412 42.227 54.329 1.00 49.22 C
451
+ ATOM 451 C GLU A 62 -9.670 43.027 53.981 1.00 47.56 C
452
+ ATOM 452 O GLU A 62 -9.977 43.222 52.804 1.00 49.10 O
453
+ ATOM 453 CB GLU A 62 -7.146 43.017 53.980 1.00 51.94 C
454
+ ATOM 454 CG GLU A 62 -6.620 43.930 55.077 1.00 57.00 C
455
+ ATOM 455 CD GLU A 62 -5.137 44.247 54.919 1.00 60.36 C
456
+ ATOM 456 OE1 GLU A 62 -4.795 45.439 54.773 1.00 61.28 O
457
+ ATOM 457 OE2 GLU A 62 -4.308 43.309 54.941 1.00 61.49 O
458
+ ATOM 458 N SER A 63 -10.399 43.462 55.012 1.00 44.10 N
459
+ ATOM 459 CA SER A 63 -11.616 44.274 54.866 1.00 40.29 C
460
+ ATOM 460 C SER A 63 -11.296 45.672 54.327 1.00 41.47 C
461
+ ATOM 461 O SER A 63 -10.199 46.187 54.558 1.00 43.76 O
462
+ ATOM 462 CB SER A 63 -12.340 44.367 56.211 1.00 37.40 C
463
+ ATOM 463 OG SER A 63 -13.367 45.340 56.189 1.00 35.34 O
464
+ ATOM 464 N CYS A 64 -12.253 46.280 53.622 1.00 41.52 N
465
+ ATOM 465 CA CYS A 64 -12.035 47.583 52.977 1.00 42.43 C
466
+ ATOM 466 C CYS A 64 -12.439 48.799 53.829 1.00 41.66 C
467
+ ATOM 467 O CYS A 64 -13.146 48.672 54.835 1.00 39.06 O
468
+ ATOM 468 CB CYS A 64 -12.688 47.631 51.591 1.00 45.18 C
469
+ ATOM 469 SG CYS A 64 -11.660 48.443 50.344 1.00 50.18 S
470
+ ATOM 470 N ARG A 65 -11.986 49.971 53.381 1.00 43.62 N
471
+ ATOM 471 CA ARG A 65 -12.001 51.223 54.136 1.00 45.31 C
472
+ ATOM 472 C ARG A 65 -13.069 52.198 53.600 1.00 49.10 C
473
+ ATOM 473 O ARG A 65 -12.755 53.124 52.838 1.00 49.23 O
474
+ ATOM 474 CB ARG A 65 -10.588 51.828 54.067 1.00 43.69 C
475
+ ATOM 475 CG ARG A 65 -10.307 53.034 54.951 1.00 43.51 C
476
+ ATOM 476 CD ARG A 65 -8.806 53.259 55.137 1.00 43.74 C
477
+ ATOM 477 NE ARG A 65 -8.083 53.638 53.911 1.00 40.94 N
478
+ ATOM 478 CZ ARG A 65 -7.015 53.005 53.415 1.00 37.76 C
479
+ ATOM 479 NH1 ARG A 65 -6.502 51.939 54.020 1.00 36.89 N
480
+ ATOM 480 NH2 ARG A 65 -6.444 53.448 52.304 1.00 36.22 N
481
+ ATOM 481 N HIS A 66 -14.326 51.985 54.000 1.00 53.46 N
482
+ ATOM 482 CA HIS A 66 -15.443 52.812 53.510 1.00 58.59 C
483
+ ATOM 483 C HIS A 66 -15.472 54.218 54.121 1.00 59.93 C
484
+ ATOM 484 O HIS A 66 -15.460 54.382 55.347 1.00 59.28 O
485
+ ATOM 485 CB HIS A 66 -16.806 52.086 53.596 1.00 61.83 C
486
+ ATOM 486 CG HIS A 66 -17.363 51.950 54.983 1.00 63.16 C
487
+ ATOM 487 ND1 HIS A 66 -17.094 50.866 55.792 1.00 63.68 N
488
+ ATOM 488 CD2 HIS A 66 -18.207 52.743 55.687 1.00 62.26 C
489
+ ATOM 489 CE1 HIS A 66 -17.729 51.008 56.942 1.00 63.62 C
490
+ ATOM 490 NE2 HIS A 66 -18.412 52.139 56.904 1.00 62.96 N
491
+ ATOM 491 N CYS A 67 -15.487 55.217 53.238 1.00 62.03 N
492
+ ATOM 492 CA CYS A 67 -15.403 56.611 53.657 1.00 63.80 C
493
+ ATOM 493 C CYS A 67 -16.776 57.270 53.658 1.00 64.16 C
494
+ ATOM 494 O CYS A 67 -17.488 57.246 52.654 1.00 64.07 O
495
+ ATOM 495 CB CYS A 67 -14.448 57.397 52.746 1.00 63.83 C
496
+ ATOM 496 SG CYS A 67 -12.980 56.506 52.162 1.00 65.32 S
497
+ ATOM 497 N ASN A 68 -17.116 57.897 54.784 0.01 0.00 N
498
+ ATOM 498 CA ASN A 68 -18.337 58.687 54.884 0.01 0.00 C
499
+ ATOM 499 C ASN A 68 -18.060 60.184 54.754 0.01 0.00 C
500
+ ATOM 500 O ASN A 68 -18.953 60.961 54.416 0.01 0.00 O
501
+ ATOM 501 CB ASN A 68 -19.024 58.408 56.207 0.01 0.00 C
502
+ ATOM 502 CG ASN A 68 -19.535 56.987 56.347 0.01 0.00 C
503
+ ATOM 503 OD1 ASN A 68 -20.056 56.381 55.400 0.01 0.00 O
504
+ ATOM 504 ND2 ASN A 68 -19.388 56.451 57.536 0.01 0.00 N
505
+ ATOM 505 N SER A 69 -16.814 60.584 55.041 0.01 0.00 N
506
+ ATOM 506 CA SER A 69 -16.397 61.983 55.023 0.01 0.00 C
507
+ ATOM 507 C SER A 69 -15.411 62.299 53.902 0.01 0.00 C
508
+ ATOM 508 O SER A 69 -14.991 63.447 53.729 0.01 0.00 O
509
+ ATOM 509 CB SER A 69 -15.755 62.326 56.349 0.01 0.00 C
510
+ ATOM 510 OG SER A 69 -14.598 61.548 56.559 0.01 0.00 O
511
+ ATOM 511 N GLY A 70 -14.999 61.271 53.167 0.01 0.00 N
512
+ ATOM 512 CA GLY A 70 -14.009 61.437 52.114 0.01 0.00 C
513
+ ATOM 513 C GLY A 70 -14.667 61.647 50.765 0.01 0.00 C
514
+ ATOM 514 O GLY A 70 -15.884 61.810 50.656 0.01 0.00 O
515
+ ATOM 515 N LEU A 71 -13.856 61.650 49.727 0.01 0.00 N
516
+ ATOM 516 CA LEU A 71 -14.348 61.829 48.373 0.01 0.00 C
517
+ ATOM 517 C LEU A 71 -14.136 60.525 47.642 0.01 0.00 C
518
+ ATOM 518 O LEU A 71 -13.174 59.815 47.923 0.01 0.00 O
519
+ ATOM 519 CB LEU A 71 -13.595 62.972 47.702 0.01 0.00 C
520
+ ATOM 520 CG LEU A 71 -13.651 64.340 48.400 0.01 0.00 C
521
+ ATOM 521 CD1 LEU A 71 -12.762 65.297 47.630 0.01 0.00 C
522
+ ATOM 522 CD2 LEU A 71 -15.089 64.857 48.467 0.01 0.00 C
523
+ ATOM 523 N LEU A 72 -14.955 60.193 46.653 0.01 0.00 N
524
+ ATOM 524 CA LEU A 72 -14.707 58.916 45.983 0.01 0.00 C
525
+ ATOM 525 C LEU A 72 -13.674 59.051 44.886 0.01 0.00 C
526
+ ATOM 526 O LEU A 72 -13.974 58.977 43.694 0.01 0.00 O
527
+ ATOM 527 CB LEU A 72 -16.005 58.333 45.404 0.01 0.00 C
528
+ ATOM 528 CG LEU A 72 -15.940 56.853 44.862 0.01 0.00 C
529
+ ATOM 529 CD1 LEU A 72 -15.584 55.861 45.996 0.01 0.00 C
530
+ ATOM 530 CD2 LEU A 72 -17.291 56.502 44.254 0.01 0.00 C
531
+ ATOM 531 N VAL A 73 -12.447 59.245 45.332 0.01 0.00 N
532
+ ATOM 532 CA VAL A 73 -11.294 59.424 44.473 0.01 0.00 C
533
+ ATOM 533 C VAL A 73 -10.666 58.087 44.138 0.01 0.00 C
534
+ ATOM 534 O VAL A 73 -10.090 57.928 43.063 0.01 0.00 O
535
+ ATOM 535 CB VAL A 73 -10.276 60.404 45.099 0.01 0.00 C
536
+ ATOM 536 CG1 VAL A 73 -10.958 61.738 45.293 0.01 0.00 C
537
+ ATOM 537 CG2 VAL A 73 -9.756 59.876 46.441 0.01 0.00 C
538
+ ATOM 538 N ARG A 74 -10.746 57.119 45.059 1.00 36.37 N
539
+ ATOM 539 CA ARG A 74 -10.178 55.810 44.758 1.00 37.02 C
540
+ ATOM 540 C ARG A 74 -11.134 54.691 45.151 1.00 37.40 C
541
+ ATOM 541 O ARG A 74 -11.723 54.716 46.232 1.00 35.43 O
542
+ ATOM 542 CB ARG A 74 -8.855 55.621 45.484 1.00 37.37 C
543
+ ATOM 543 CG ARG A 74 -8.151 54.303 45.200 1.00 0.00 C
544
+ ATOM 544 CD ARG A 74 -6.829 54.229 45.873 1.00 0.00 C
545
+ ATOM 545 NE ARG A 74 -6.162 52.963 45.619 1.00 0.00 N
546
+ ATOM 546 CZ ARG A 74 -4.959 52.619 46.119 1.00 0.00 C
547
+ ATOM 547 NH1 ARG A 74 -4.306 53.455 46.896 1.00 0.00 N
548
+ ATOM 548 NH2 ARG A 74 -4.435 51.440 45.829 1.00 0.00 N
549
+ ATOM 549 N ASN A 75 -11.284 53.710 44.268 1.00 40.52 N
550
+ ATOM 550 CA ASN A 75 -12.149 52.549 44.479 1.00 43.84 C
551
+ ATOM 551 C ASN A 75 -11.525 51.414 45.290 1.00 41.89 C
552
+ ATOM 552 O ASN A 75 -10.324 51.428 45.578 1.00 40.83 O
553
+ ATOM 553 CB ASN A 75 -12.613 52.012 43.120 1.00 49.59 C
554
+ ATOM 554 CG ASN A 75 -13.912 52.641 42.641 1.00 54.91 C
555
+ ATOM 555 OD1 ASN A 75 -14.466 52.208 41.624 1.00 56.66 O
556
+ ATOM 556 ND2 ASN A 75 -14.409 53.658 43.366 1.00 57.36 N
557
+ ATOM 557 N CYS A 76 -12.364 50.441 45.650 1.00 41.29 N
558
+ ATOM 558 CA CYS A 76 -11.933 49.213 46.313 1.00 42.11 C
559
+ ATOM 559 C CYS A 76 -12.026 48.019 45.357 1.00 41.29 C
560
+ ATOM 560 O CYS A 76 -12.998 47.254 45.372 1.00 41.68 O
561
+ ATOM 561 CB CYS A 76 -12.750 48.969 47.587 1.00 44.56 C
562
+ ATOM 562 SG CYS A 76 -12.202 47.567 48.591 1.00 46.04 S
563
+ ATOM 563 N THR A 77 -11.001 47.879 44.518 1.00 40.24 N
564
+ ATOM 564 CA THR A 77 -10.841 46.721 43.637 1.00 38.57 C
565
+ ATOM 565 C THR A 77 -10.416 45.512 44.485 1.00 39.13 C
566
+ ATOM 566 O THR A 77 -10.169 45.649 45.691 1.00 39.30 O
567
+ ATOM 567 CB THR A 77 -9.808 47.003 42.517 1.00 37.58 C
568
+ ATOM 568 OG1 THR A 77 -9.798 48.401 42.198 1.00 35.95 O
569
+ ATOM 569 CG2 THR A 77 -10.137 46.211 41.251 1.00 39.19 C
570
+ ATOM 570 N ILE A 78 -10.339 44.336 43.862 1.00 39.68 N
571
+ ATOM 571 CA ILE A 78 -9.929 43.104 44.548 1.00 40.40 C
572
+ ATOM 572 C ILE A 78 -8.483 43.173 45.066 1.00 42.60 C
573
+ ATOM 573 O ILE A 78 -8.150 42.536 46.069 1.00 42.57 O
574
+ ATOM 574 CB ILE A 78 -10.100 41.843 43.667 1.00 38.90 C
575
+ ATOM 575 CG1 ILE A 78 -11.041 42.096 42.480 1.00 39.01 C
576
+ ATOM 576 CG2 ILE A 78 -10.596 40.687 44.523 1.00 39.07 C
577
+ ATOM 577 CD1 ILE A 78 -10.940 41.072 41.367 1.00 39.99 C
578
+ ATOM 578 N THR A 79 -7.644 43.958 44.385 1.00 43.00 N
579
+ ATOM 579 CA THR A 79 -6.234 44.120 44.746 1.00 41.53 C
580
+ ATOM 580 C THR A 79 -6.018 45.307 45.693 1.00 41.40 C
581
+ ATOM 581 O THR A 79 -5.574 45.121 46.828 1.00 42.35 O
582
+ ATOM 582 CB THR A 79 -5.327 44.253 43.499 1.00 40.53 C
583
+ ATOM 583 OG1 THR A 79 -5.723 45.395 42.731 1.00 41.18 O
584
+ ATOM 584 CG2 THR A 79 -5.411 43.007 42.625 1.00 39.34 C
585
+ ATOM 585 N ALA A 80 -6.348 46.511 45.225 1.00 40.71 N
586
+ ATOM 586 CA ALA A 80 -6.114 47.741 45.980 1.00 42.36 C
587
+ ATOM 587 C ALA A 80 -7.341 48.168 46.778 1.00 44.27 C
588
+ ATOM 588 O ALA A 80 -8.468 48.096 46.282 1.00 44.84 O
589
+ ATOM 589 CB ALA A 80 -5.675 48.857 45.045 1.00 43.24 C
590
+ ATOM 590 N ASN A 81 -7.105 48.615 48.011 1.00 47.50 N
591
+ ATOM 591 CA ASN A 81 -8.168 49.089 48.912 1.00 50.53 C
592
+ ATOM 592 C ASN A 81 -8.726 50.455 48.527 1.00 49.45 C
593
+ ATOM 593 O ASN A 81 -8.167 51.143 47.666 1.00 50.09 O
594
+ ATOM 594 CB ASN A 81 -7.704 49.102 50.383 1.00 54.31 C
595
+ ATOM 595 CG ASN A 81 -6.337 49.758 50.591 1.00 59.15 C
596
+ ATOM 596 OD1 ASN A 81 -5.716 50.284 49.663 1.00 61.16 O
597
+ ATOM 597 ND2 ASN A 81 -5.861 49.720 51.832 1.00 60.52 N
598
+ ATOM 598 N ALA A 82 -9.832 50.830 49.172 1.00 48.50 N
599
+ ATOM 599 CA ALA A 82 -10.444 52.145 49.003 1.00 49.16 C
600
+ ATOM 600 C ALA A 82 -9.523 53.225 49.560 1.00 50.25 C
601
+ ATOM 601 O ALA A 82 -9.061 53.125 50.702 1.00 51.77 O
602
+ ATOM 602 CB ALA A 82 -11.804 52.191 49.684 1.00 47.97 C
603
+ ATOM 603 N GLU A 83 -9.246 54.235 48.734 1.00 51.00 N
604
+ ATOM 604 CA GLU A 83 -8.372 55.352 49.096 1.00 51.55 C
605
+ ATOM 605 C GLU A 83 -9.222 56.622 49.255 1.00 52.82 C
606
+ ATOM 606 O GLU A 83 -9.627 57.241 48.262 1.00 53.52 O
607
+ ATOM 607 CB GLU A 83 -7.279 55.531 48.032 1.00 51.41 C
608
+ ATOM 608 CG GLU A 83 -5.897 55.904 48.563 1.00 52.84 C
609
+ ATOM 609 CD GLU A 83 -4.943 54.720 48.702 1.00 51.20 C
610
+ ATOM 610 OE1 GLU A 83 -5.002 53.779 47.878 1.00 49.90 O
611
+ ATOM 611 OE2 GLU A 83 -4.106 54.742 49.634 1.00 50.05 O
612
+ ATOM 612 N CYS A 84 -9.494 56.989 50.510 1.00 54.81 N
613
+ ATOM 613 CA CYS A 84 -10.443 58.064 50.844 1.00 59.15 C
614
+ ATOM 614 C CYS A 84 -9.895 59.476 50.582 1.00 58.68 C
615
+ ATOM 615 O CYS A 84 -9.022 59.977 51.295 1.00 56.68 O
616
+ ATOM 616 OXT CYS A 84 -10.317 60.122 49.663 1.00 0.00 O
617
+ ATOM 617 CB CYS A 84 -10.947 57.927 52.293 1.00 64.22 C
618
+ ATOM 618 SG CYS A 84 -12.003 56.491 52.647 1.00 69.41 S
619
+ TER 619 CYS A 84
620
+ END
sabdab_v0.5.2_diffab_chothia/raw_pdbs/6497_7che_HL.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/6497_7che_HL_R.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/6497_7che_R.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/7914_5tlk_FE.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/7914_5tlk_FE_Y.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/7914_5tlk_Y.pdb ADDED
@@ -0,0 +1,620 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N LYS A 5 -14.218 -3.535 101.362 1.00 79.56 N
2
+ ATOM 2 CA LYS A 5 -15.324 -3.477 100.363 1.00 84.71 C
3
+ ATOM 3 C LYS A 5 -15.230 -2.174 99.563 1.00 81.28 C
4
+ ATOM 4 O LYS A 5 -15.739 -1.124 99.979 1.00 81.63 O
5
+ ATOM 5 CB LYS A 5 -16.681 -3.615 101.064 1.00 90.26 C
6
+ ATOM 6 CG LYS A 5 -17.727 -4.401 100.280 1.00 92.66 C
7
+ ATOM 7 CD LYS A 5 -18.947 -4.732 101.136 1.00 94.38 C
8
+ ATOM 8 CE LYS A 5 -18.698 -5.898 102.090 1.00 92.97 C
9
+ ATOM 9 NZ LYS A 5 -19.766 -6.028 103.122 1.00 87.51 N
10
+ ATOM 10 N SER A 6 -14.563 -2.260 98.414 1.00 74.15 N
11
+ ATOM 11 CA SER A 6 -14.253 -1.090 97.591 1.00 75.76 C
12
+ ATOM 12 C SER A 6 -15.353 -0.744 96.588 1.00 70.43 C
13
+ ATOM 13 O SER A 6 -15.813 0.401 96.529 1.00 66.84 O
14
+ ATOM 14 CB SER A 6 -12.913 -1.285 96.871 1.00 83.16 C
15
+ ATOM 15 OG SER A 6 -12.905 -2.487 96.116 1.00 88.88 O
16
+ ATOM 16 N CYS A 7 -15.766 -1.742 95.810 1.00 69.13 N
17
+ ATOM 17 CA CYS A 7 -16.699 -1.554 94.707 1.00 69.84 C
18
+ ATOM 18 C CYS A 7 -17.823 -2.597 94.737 1.00 63.85 C
19
+ ATOM 19 O CYS A 7 -17.674 -3.627 95.405 1.00 65.83 O
20
+ ATOM 20 CB CYS A 7 -15.940 -1.594 93.374 1.00 78.58 C
21
+ ATOM 21 SG CYS A 7 -14.920 -0.130 93.055 1.00 97.79 S
22
+ ATOM 22 N PRO A 8 -18.957 -2.323 94.040 1.00 59.02 N
23
+ ATOM 23 CA PRO A 8 -20.080 -3.270 93.877 1.00 57.93 C
24
+ ATOM 24 C PRO A 8 -19.702 -4.646 93.311 1.00 64.14 C
25
+ ATOM 25 O PRO A 8 -18.525 -4.916 93.054 1.00 69.99 O
26
+ ATOM 26 CB PRO A 8 -20.999 -2.549 92.888 1.00 55.82 C
27
+ ATOM 27 CG PRO A 8 -20.744 -1.104 93.112 1.00 55.68 C
28
+ ATOM 28 CD PRO A 8 -19.316 -0.973 93.549 1.00 56.61 C
29
+ ATOM 29 N GLU A 9 -20.707 -5.501 93.121 1.00 71.97 N
30
+ ATOM 30 CA GLU A 9 -20.520 -6.840 92.558 1.00 81.43 C
31
+ ATOM 31 C GLU A 9 -20.062 -6.777 91.096 1.00 83.28 C
32
+ ATOM 32 O GLU A 9 -20.713 -6.136 90.261 1.00 84.23 O
33
+ ATOM 33 CB GLU A 9 -21.813 -7.661 92.692 1.00 90.27 C
34
+ ATOM 34 CG GLU A 9 -21.620 -9.176 92.696 1.00 94.84 C
35
+ ATOM 35 CD GLU A 9 -20.796 -9.678 93.875 1.00101.46 C
36
+ ATOM 36 OE1 GLU A 9 -21.091 -9.298 95.031 1.00103.33 O
37
+ ATOM 37 OE2 GLU A 9 -19.850 -10.462 93.643 1.00101.45 O
38
+ ATOM 38 N ARG A 10 -18.939 -7.445 90.818 1.00 80.93 N
39
+ ATOM 39 CA ARG A 10 -18.288 -7.500 89.490 1.00 77.54 C
40
+ ATOM 40 C ARG A 10 -17.762 -6.132 89.008 1.00 73.74 C
41
+ ATOM 41 O ARG A 10 -17.832 -5.808 87.820 1.00 81.26 O
42
+ ATOM 42 CB ARG A 10 -19.188 -8.184 88.436 1.00 77.76 C
43
+ ATOM 43 CG ARG A 10 -19.531 -9.636 88.741 1.00 84.06 C
44
+ ATOM 44 CD ARG A 10 -20.419 -10.251 87.670 1.00 93.63 C
45
+ ATOM 45 NE ARG A 10 -21.829 -9.869 87.792 1.00107.89 N
46
+ ATOM 46 CZ ARG A 10 -22.774 -10.610 88.373 1.00116.16 C
47
+ ATOM 47 NH1 ARG A 10 -22.486 -11.795 88.902 1.00119.54 N
48
+ ATOM 48 NH2 ARG A 10 -24.022 -10.162 88.425 1.00115.20 N
49
+ ATOM 49 N HIS A 11 -17.230 -5.348 89.947 1.00 67.36 N
50
+ ATOM 50 CA HIS A 11 -16.641 -4.033 89.668 1.00 66.43 C
51
+ ATOM 51 C HIS A 11 -15.223 -3.932 90.238 1.00 66.04 C
52
+ ATOM 52 O HIS A 11 -14.820 -4.761 91.059 1.00 68.36 O
53
+ ATOM 53 CB HIS A 11 -17.510 -2.917 90.258 1.00 69.79 C
54
+ ATOM 54 CG HIS A 11 -18.829 -2.730 89.572 1.00 71.63 C
55
+ ATOM 55 ND1 HIS A 11 -19.855 -3.646 89.664 1.00 73.36 N
56
+ ATOM 56 CD2 HIS A 11 -19.303 -1.713 88.814 1.00 73.30 C
57
+ ATOM 57 CE1 HIS A 11 -20.896 -3.211 88.976 1.00 74.09 C
58
+ ATOM 58 NE2 HIS A 11 -20.588 -2.038 88.454 1.00 73.79 N
59
+ ATOM 59 N TYR A 12 -14.477 -2.914 89.811 1.00 66.56 N
60
+ ATOM 60 CA TYR A 12 -13.100 -2.710 90.270 1.00 73.46 C
61
+ ATOM 61 C TYR A 12 -12.745 -1.231 90.459 1.00 74.59 C
62
+ ATOM 62 O TYR A 12 -13.332 -0.353 89.816 1.00 74.55 O
63
+ ATOM 63 CB TYR A 12 -12.102 -3.399 89.320 1.00 80.13 C
64
+ ATOM 64 CG TYR A 12 -11.937 -2.718 87.974 1.00 86.57 C
65
+ ATOM 65 CD1 TYR A 12 -12.813 -2.991 86.916 1.00 86.78 C
66
+ ATOM 66 CD2 TYR A 12 -10.898 -1.800 87.755 1.00 84.20 C
67
+ ATOM 67 CE1 TYR A 12 -12.668 -2.364 85.684 1.00 86.10 C
68
+ ATOM 68 CE2 TYR A 12 -10.746 -1.169 86.527 1.00 87.11 C
69
+ ATOM 69 CZ TYR A 12 -11.631 -1.456 85.497 1.00 89.50 C
70
+ ATOM 70 OH TYR A 12 -11.482 -0.836 84.278 1.00 95.46 O
71
+ ATOM 71 N TRP A 13 -11.772 -0.984 91.336 1.00 73.44 N
72
+ ATOM 72 CA TRP A 13 -11.258 0.356 91.629 1.00 77.68 C
73
+ ATOM 73 C TRP A 13 -10.262 0.772 90.537 1.00 83.38 C
74
+ ATOM 74 O TRP A 13 -9.162 0.216 90.447 1.00 81.62 O
75
+ ATOM 75 CB TRP A 13 -10.622 0.363 93.027 1.00 75.12 C
76
+ ATOM 76 CG TRP A 13 -10.406 1.719 93.636 1.00 73.81 C
77
+ ATOM 77 CD1 TRP A 13 -9.217 2.241 94.059 1.00 76.96 C
78
+ ATOM 78 CD2 TRP A 13 -11.402 2.719 93.907 1.00 74.09 C
79
+ ATOM 79 NE1 TRP A 13 -9.405 3.502 94.574 1.00 76.55 N
80
+ ATOM 80 CE2 TRP A 13 -10.733 3.824 94.489 1.00 75.37 C
81
+ ATOM 81 CE3 TRP A 13 -12.792 2.792 93.712 1.00 71.08 C
82
+ ATOM 82 CZ2 TRP A 13 -11.405 4.992 94.880 1.00 75.20 C
83
+ ATOM 83 CZ3 TRP A 13 -13.463 3.956 94.099 1.00 72.32 C
84
+ ATOM 84 CH2 TRP A 13 -12.765 5.039 94.680 1.00 76.58 C
85
+ ATOM 85 N ALA A 14 -10.663 1.756 89.727 1.00 84.65 N
86
+ ATOM 86 CA ALA A 14 -10.054 2.034 88.414 1.00 86.11 C
87
+ ATOM 87 C ALA A 14 -8.634 2.619 88.425 1.00 89.87 C
88
+ ATOM 88 O ALA A 14 -7.650 1.872 88.448 1.00 97.70 O
89
+ ATOM 89 CB ALA A 14 -10.994 2.883 87.563 1.00 90.97 C
90
+ ATOM 90 N GLN A 15 -8.540 3.947 88.382 1.00 86.22 N
91
+ ATOM 91 CA GLN A 15 -7.259 4.656 88.384 1.00 88.63 C
92
+ ATOM 92 C GLN A 15 -7.013 5.198 89.794 1.00 89.19 C
93
+ ATOM 93 O GLN A 15 -6.437 6.278 89.981 1.00 84.18 O
94
+ ATOM 94 CB GLN A 15 -7.267 5.779 87.334 1.00 91.79 C
95
+ ATOM 95 CG GLN A 15 -7.353 5.299 85.886 1.00 92.88 C
96
+ ATOM 96 CD GLN A 15 -7.799 6.378 84.909 1.00 92.82 C
97
+ ATOM 97 OE1 GLN A 15 -8.688 7.183 85.201 1.00 99.32 O
98
+ ATOM 98 NE2 GLN A 15 -7.192 6.385 83.729 1.00 88.45 N
99
+ ATOM 99 N GLY A 16 -7.454 4.415 90.780 1.00 90.44 N
100
+ ATOM 100 CA GLY A 16 -7.528 4.843 92.173 1.00 86.41 C
101
+ ATOM 101 C GLY A 16 -8.627 5.866 92.415 1.00 85.43 C
102
+ ATOM 102 O GLY A 16 -8.619 6.544 93.447 1.00 84.58 O
103
+ ATOM 103 N LYS A 17 -9.582 5.954 91.483 1.00 80.29 N
104
+ ATOM 104 CA LYS A 17 -10.555 7.052 91.448 1.00 76.31 C
105
+ ATOM 105 C LYS A 17 -12.027 6.618 91.458 1.00 71.76 C
106
+ ATOM 106 O LYS A 17 -12.820 7.156 92.234 1.00 66.95 O
107
+ ATOM 107 CB LYS A 17 -10.275 7.972 90.248 1.00 79.82 C
108
+ ATOM 108 CG LYS A 17 -10.904 9.358 90.349 1.00 80.43 C
109
+ ATOM 109 CD LYS A 17 -10.840 10.103 89.024 1.00 79.02 C
110
+ ATOM 110 CE LYS A 17 -11.558 11.441 89.104 1.00 74.12 C
111
+ ATOM 111 NZ LYS A 17 -11.672 12.104 87.776 1.00 70.33 N
112
+ ATOM 112 N LEU A 18 -12.392 5.670 90.595 1.00 72.48 N
113
+ ATOM 113 CA LEU A 18 -13.798 5.281 90.431 1.00 75.02 C
114
+ ATOM 114 C LEU A 18 -14.002 3.765 90.404 1.00 77.93 C
115
+ ATOM 115 O LEU A 18 -13.040 3.002 90.266 1.00 75.86 O
116
+ ATOM 116 CB LEU A 18 -14.411 5.903 89.160 1.00 80.40 C
117
+ ATOM 117 CG LEU A 18 -13.766 7.063 88.397 1.00 84.41 C
118
+ ATOM 118 CD1 LEU A 18 -12.993 6.516 87.206 1.00 84.02 C
119
+ ATOM 119 CD2 LEU A 18 -14.813 8.063 87.938 1.00 86.65 C
120
+ ATOM 120 N CYS A 19 -15.261 3.347 90.556 1.00 80.42 N
121
+ ATOM 121 CA CYS A 19 -15.671 1.966 90.314 1.00 81.15 C
122
+ ATOM 122 C CYS A 19 -16.158 1.829 88.877 1.00 80.08 C
123
+ ATOM 123 O CYS A 19 -17.079 2.534 88.456 1.00 77.32 O
124
+ ATOM 124 CB CYS A 19 -16.764 1.526 91.290 1.00 85.37 C
125
+ ATOM 125 SG CYS A 19 -16.235 1.430 93.016 1.00 95.81 S
126
+ ATOM 126 N CYS A 20 -15.502 0.945 88.128 1.00 75.85 N
127
+ ATOM 127 CA CYS A 20 -15.896 0.606 86.763 1.00 70.10 C
128
+ ATOM 128 C CYS A 20 -16.293 -0.855 86.739 1.00 67.55 C
129
+ ATOM 129 O CYS A 20 -15.744 -1.655 87.503 1.00 68.08 O
130
+ ATOM 130 CB CYS A 20 -14.738 0.831 85.787 1.00 73.48 C
131
+ ATOM 131 SG CYS A 20 -14.234 2.553 85.561 1.00 80.78 S
132
+ ATOM 132 N GLN A 21 -17.242 -1.199 85.869 1.00 65.75 N
133
+ ATOM 133 CA GLN A 21 -17.647 -2.592 85.666 1.00 67.59 C
134
+ ATOM 134 C GLN A 21 -16.485 -3.385 85.089 1.00 72.94 C
135
+ ATOM 135 O GLN A 21 -15.760 -2.894 84.216 1.00 72.29 O
136
+ ATOM 136 CB GLN A 21 -18.847 -2.701 84.723 1.00 65.91 C
137
+ ATOM 137 CG GLN A 21 -20.120 -2.020 85.202 1.00 65.52 C
138
+ ATOM 138 CD GLN A 21 -21.185 -1.936 84.124 1.00 64.78 C
139
+ ATOM 139 OE1 GLN A 21 -21.541 -2.939 83.504 1.00 67.72 O
140
+ ATOM 140 NE2 GLN A 21 -21.707 -0.734 83.901 1.00 60.13 N
141
+ ATOM 141 N MET A 22 -16.304 -4.600 85.602 1.00 79.21 N
142
+ ATOM 142 CA MET A 22 -15.302 -5.533 85.084 1.00 78.13 C
143
+ ATOM 143 C MET A 22 -15.727 -6.035 83.706 1.00 73.15 C
144
+ ATOM 144 O MET A 22 -16.920 -6.027 83.374 1.00 71.16 O
145
+ ATOM 145 CB MET A 22 -15.102 -6.709 86.048 1.00 79.07 C
146
+ ATOM 146 CG MET A 22 -14.272 -6.391 87.284 1.00 82.40 C
147
+ ATOM 147 SD MET A 22 -14.167 -7.805 88.401 1.00 89.85 S
148
+ ATOM 148 CE MET A 22 -12.990 -7.213 89.613 1.00 87.17 C
149
+ ATOM 149 N CYS A 23 -14.748 -6.459 82.910 1.00 70.44 N
150
+ ATOM 150 CA CYS A 23 -15.004 -6.955 81.562 1.00 71.78 C
151
+ ATOM 151 C CYS A 23 -15.717 -8.297 81.574 1.00 73.41 C
152
+ ATOM 152 O CYS A 23 -15.214 -9.278 82.132 1.00 79.14 O
153
+ ATOM 153 CB CYS A 23 -13.713 -7.033 80.741 1.00 71.39 C
154
+ ATOM 154 SG CYS A 23 -13.073 -5.427 80.212 1.00 77.47 S
155
+ ATOM 155 N GLU A 24 -16.900 -8.304 80.963 1.00 69.32 N
156
+ ATOM 156 CA GLU A 24 -17.708 -9.504 80.717 1.00 73.04 C
157
+ ATOM 157 C GLU A 24 -16.887 -10.667 80.126 1.00 74.41 C
158
+ ATOM 158 O GLU A 24 -15.980 -10.425 79.326 1.00 75.04 O
159
+ ATOM 159 CB GLU A 24 -18.883 -9.151 79.794 1.00 77.23 C
160
+ ATOM 160 CG GLU A 24 -18.499 -8.336 78.559 1.00 86.57 C
161
+ ATOM 161 CD GLU A 24 -19.655 -7.579 77.927 1.00 94.04 C
162
+ ATOM 162 OE1 GLU A 24 -20.435 -6.933 78.660 1.00 98.32 O
163
+ ATOM 163 OE2 GLU A 24 -19.768 -7.610 76.682 1.00 96.98 O
164
+ ATOM 164 N PRO A 25 -17.182 -11.925 80.537 1.00 74.46 N
165
+ ATOM 165 CA PRO A 25 -16.497 -13.094 79.971 1.00 74.67 C
166
+ ATOM 166 C PRO A 25 -16.537 -13.134 78.443 1.00 73.36 C
167
+ ATOM 167 O PRO A 25 -17.552 -12.775 77.837 1.00 75.70 O
168
+ ATOM 168 CB PRO A 25 -17.276 -14.266 80.566 1.00 76.62 C
169
+ ATOM 169 CG PRO A 25 -17.692 -13.757 81.902 1.00 74.34 C
170
+ ATOM 170 CD PRO A 25 -18.057 -12.319 81.659 1.00 73.66 C
171
+ ATOM 171 N GLY A 26 -15.423 -13.548 77.844 1.00 70.52 N
172
+ ATOM 172 CA GLY A 26 -15.266 -13.552 76.392 1.00 65.79 C
173
+ ATOM 173 C GLY A 26 -14.715 -12.255 75.832 1.00 61.58 C
174
+ ATOM 174 O GLY A 26 -14.702 -12.063 74.616 1.00 62.28 O
175
+ ATOM 175 N THR A 27 -14.284 -11.359 76.721 1.00 56.37 N
176
+ ATOM 176 CA THR A 27 -13.691 -10.072 76.341 1.00 56.33 C
177
+ ATOM 177 C THR A 27 -12.378 -9.824 77.104 1.00 58.65 C
178
+ ATOM 178 O THR A 27 -11.926 -10.688 77.861 1.00 63.08 O
179
+ ATOM 179 CB THR A 27 -14.666 -8.872 76.538 1.00 58.70 C
180
+ ATOM 180 OG1 THR A 27 -14.802 -8.559 77.930 1.00 62.40 O
181
+ ATOM 181 CG2 THR A 27 -16.037 -9.136 75.923 1.00 57.48 C
182
+ ATOM 182 N PHE A 28 -11.768 -8.657 76.885 1.00 54.24 N
183
+ ATOM 183 CA PHE A 28 -10.559 -8.232 77.608 1.00 55.50 C
184
+ ATOM 184 C PHE A 28 -10.570 -6.716 77.817 1.00 55.77 C
185
+ ATOM 185 O PHE A 28 -11.253 -5.996 77.085 1.00 62.46 O
186
+ ATOM 186 CB PHE A 28 -9.277 -8.700 76.883 1.00 55.85 C
187
+ ATOM 187 CG PHE A 28 -9.074 -8.080 75.525 1.00 56.23 C
188
+ ATOM 188 CD1 PHE A 28 -8.335 -6.905 75.383 1.00 56.50 C
189
+ ATOM 189 CD2 PHE A 28 -9.611 -8.674 74.383 1.00 56.69 C
190
+ ATOM 190 CE1 PHE A 28 -8.146 -6.328 74.133 1.00 58.69 C
191
+ ATOM 191 CE2 PHE A 28 -9.429 -8.099 73.131 1.00 56.45 C
192
+ ATOM 192 CZ PHE A 28 -8.695 -6.925 73.006 1.00 57.30 C
193
+ ATOM 193 N LEU A 29 -9.817 -6.233 78.801 1.00 55.64 N
194
+ ATOM 194 CA LEU A 29 -9.810 -4.804 79.113 1.00 57.48 C
195
+ ATOM 195 C LEU A 29 -8.965 -3.988 78.140 1.00 59.24 C
196
+ ATOM 196 O LEU A 29 -7.791 -4.290 77.912 1.00 61.57 O
197
+ ATOM 197 CB LEU A 29 -9.409 -4.540 80.577 1.00 58.32 C
198
+ ATOM 198 CG LEU A 29 -9.400 -3.096 81.111 1.00 60.56 C
199
+ ATOM 199 CD1 LEU A 29 -10.727 -2.382 80.899 1.00 63.11 C
200
+ ATOM 200 CD2 LEU A 29 -9.014 -3.048 82.582 1.00 62.68 C
201
+ ATOM 201 N VAL A 30 -9.593 -2.960 77.571 1.00 60.06 N
202
+ ATOM 202 CA VAL A 30 -8.920 -2.004 76.692 1.00 62.22 C
203
+ ATOM 203 C VAL A 30 -8.734 -0.673 77.430 1.00 63.46 C
204
+ ATOM 204 O VAL A 30 -7.617 -0.162 77.509 1.00 63.69 O
205
+ ATOM 205 CB VAL A 30 -9.660 -1.811 75.336 1.00 65.01 C
206
+ ATOM 206 CG1 VAL A 30 -8.820 -0.982 74.368 1.00 64.01 C
207
+ ATOM 207 CG2 VAL A 30 -10.001 -3.153 74.697 1.00 62.02 C
208
+ ATOM 208 N LYS A 31 -9.820 -0.129 77.982 1.00 67.57 N
209
+ ATOM 209 CA LYS A 31 -9.775 1.151 78.691 1.00 70.26 C
210
+ ATOM 210 C LYS A 31 -10.660 1.156 79.944 1.00 71.64 C
211
+ ATOM 211 O LYS A 31 -11.794 0.664 79.918 1.00 70.46 O
212
+ ATOM 212 CB LYS A 31 -10.165 2.297 77.744 1.00 73.02 C
213
+ ATOM 213 CG LYS A 31 -9.572 3.653 78.103 1.00 79.43 C
214
+ ATOM 214 CD LYS A 31 -9.621 4.622 76.928 1.00 84.57 C
215
+ ATOM 215 CE LYS A 31 -8.639 5.774 77.119 1.00 89.04 C
216
+ ATOM 216 NZ LYS A 31 -8.351 6.529 75.863 1.00 85.07 N
217
+ ATOM 217 N ASP A 32 -10.116 1.702 81.036 1.00 75.55 N
218
+ ATOM 218 CA ASP A 32 -10.880 1.993 82.252 1.00 74.79 C
219
+ ATOM 219 C ASP A 32 -11.965 2.998 81.904 1.00 76.55 C
220
+ ATOM 220 O ASP A 32 -11.705 3.965 81.173 1.00 78.89 O
221
+ ATOM 221 CB ASP A 32 -9.984 2.606 83.344 1.00 75.13 C
222
+ ATOM 222 CG ASP A 32 -8.903 1.652 83.853 1.00 78.67 C
223
+ ATOM 223 OD1 ASP A 32 -9.150 0.429 83.984 1.00 75.37 O
224
+ ATOM 224 OD2 ASP A 32 -7.796 2.150 84.154 1.00 79.57 O
225
+ ATOM 225 N CYS A 33 -13.172 2.765 82.421 1.00 73.49 N
226
+ ATOM 226 CA CYS A 33 -14.301 3.684 82.234 1.00 73.44 C
227
+ ATOM 227 C CYS A 33 -13.975 5.077 82.784 1.00 72.53 C
228
+ ATOM 228 O CYS A 33 -13.159 5.215 83.698 1.00 76.67 O
229
+ ATOM 229 CB CYS A 33 -15.577 3.114 82.867 1.00 78.54 C
230
+ ATOM 230 SG CYS A 33 -15.828 3.416 84.638 1.00 80.57 S
231
+ ATOM 231 N ASP A 34 -14.603 6.100 82.215 1.00 74.81 N
232
+ ATOM 232 CA ASP A 34 -14.304 7.487 82.581 1.00 80.24 C
233
+ ATOM 233 C ASP A 34 -15.184 8.049 83.707 1.00 80.29 C
234
+ ATOM 234 O ASP A 34 -14.794 9.010 84.379 1.00 84.74 O
235
+ ATOM 235 CB ASP A 34 -14.313 8.405 81.340 1.00 89.71 C
236
+ ATOM 236 CG ASP A 34 -15.566 8.241 80.476 1.00 96.94 C
237
+ ATOM 237 OD1 ASP A 34 -15.898 7.101 80.079 1.00 96.04 O
238
+ ATOM 238 OD2 ASP A 34 -16.208 9.269 80.170 1.00103.68 O
239
+ ATOM 239 N GLN A 35 -16.347 7.433 83.917 1.00 74.88 N
240
+ ATOM 240 CA GLN A 35 -17.317 7.892 84.916 1.00 72.60 C
241
+ ATOM 241 C GLN A 35 -17.755 6.771 85.852 1.00 69.08 C
242
+ ATOM 242 O GLN A 35 -17.855 5.621 85.433 1.00 67.31 O
243
+ ATOM 243 CB GLN A 35 -18.532 8.509 84.226 1.00 75.50 C
244
+ ATOM 244 CG GLN A 35 -18.300 9.931 83.733 1.00 80.89 C
245
+ ATOM 245 CD GLN A 35 -19.297 10.376 82.678 1.00 88.02 C
246
+ ATOM 246 OE1 GLN A 35 -20.394 9.824 82.555 1.00 91.96 O
247
+ ATOM 247 NE2 GLN A 35 -18.917 11.387 81.907 1.00 87.66 N
248
+ ATOM 248 N HIS A 36 -18.030 7.129 87.109 1.00 66.80 N
249
+ ATOM 249 CA HIS A 36 -18.369 6.174 88.177 1.00 69.18 C
250
+ ATOM 250 C HIS A 36 -19.538 5.245 87.824 1.00 67.12 C
251
+ ATOM 251 O HIS A 36 -20.563 5.693 87.298 1.00 67.36 O
252
+ ATOM 252 CB HIS A 36 -18.641 6.922 89.491 1.00 73.84 C
253
+ ATOM 253 CG HIS A 36 -18.787 6.028 90.685 1.00 75.85 C
254
+ ATOM 254 ND1 HIS A 36 -17.732 5.320 91.221 1.00 77.93 N
255
+ ATOM 255 CD2 HIS A 36 -19.863 5.735 91.452 1.00 75.08 C
256
+ ATOM 256 CE1 HIS A 36 -18.154 4.624 92.261 1.00 76.36 C
257
+ ATOM 257 NE2 HIS A 36 -19.444 4.859 92.423 1.00 74.72 N
258
+ ATOM 258 N ARG A 37 -19.339 3.954 88.103 1.00 62.66 N
259
+ ATOM 259 CA ARG A 37 -20.293 2.847 87.839 1.00 65.55 C
260
+ ATOM 260 C ARG A 37 -20.441 2.366 86.382 1.00 69.79 C
261
+ ATOM 261 O ARG A 37 -20.904 1.241 86.154 1.00 70.32 O
262
+ ATOM 262 CB ARG A 37 -21.663 3.085 88.495 1.00 66.03 C
263
+ ATOM 263 CG ARG A 37 -21.640 2.900 90.001 1.00 67.08 C
264
+ ATOM 264 CD ARG A 37 -23.006 3.121 90.617 1.00 66.58 C
265
+ ATOM 265 NE ARG A 37 -22.958 2.947 92.066 1.00 63.34 N
266
+ ATOM 266 CZ ARG A 37 -24.006 2.665 92.833 1.00 63.33 C
267
+ ATOM 267 NH1 ARG A 37 -25.214 2.516 92.306 1.00 64.41 N
268
+ ATOM 268 NH2 ARG A 37 -23.841 2.528 94.140 1.00 65.34 N
269
+ ATOM 269 N LYS A 38 -20.034 3.201 85.420 1.00 71.01 N
270
+ ATOM 270 CA LYS A 38 -20.080 2.879 83.982 1.00 73.51 C
271
+ ATOM 271 C LYS A 38 -19.236 1.656 83.591 1.00 75.81 C
272
+ ATOM 272 O LYS A 38 -18.299 1.279 84.303 1.00 80.98 O
273
+ ATOM 273 CB LYS A 38 -19.654 4.097 83.145 1.00 77.64 C
274
+ ATOM 274 CG LYS A 38 -20.787 4.987 82.642 1.00 80.83 C
275
+ ATOM 275 CD LYS A 38 -21.338 5.922 83.713 1.00 82.57 C
276
+ ATOM 276 CE LYS A 38 -22.221 7.008 83.115 1.00 86.05 C
277
+ ATOM 277 NZ LYS A 38 -23.414 6.485 82.388 1.00 89.98 N
278
+ ATOM 278 N ALA A 39 -19.587 1.042 82.460 1.00 73.42 N
279
+ ATOM 279 CA ALA A 39 -18.863 -0.116 81.929 1.00 71.28 C
280
+ ATOM 280 C ALA A 39 -17.511 0.289 81.355 1.00 69.39 C
281
+ ATOM 281 O ALA A 39 -17.387 1.343 80.722 1.00 70.61 O
282
+ ATOM 282 CB ALA A 39 -19.696 -0.828 80.872 1.00 68.65 C
283
+ ATOM 283 N ALA A 40 -16.503 -0.548 81.593 1.00 63.47 N
284
+ ATOM 284 CA ALA A 40 -15.183 -0.365 80.998 1.00 63.02 C
285
+ ATOM 285 C ALA A 40 -15.215 -0.770 79.525 1.00 64.94 C
286
+ ATOM 286 O ALA A 40 -16.055 -1.580 79.117 1.00 64.25 O
287
+ ATOM 287 CB ALA A 40 -14.149 -1.176 81.754 1.00 62.51 C
288
+ ATOM 288 N GLN A 41 -14.312 -0.192 78.732 1.00 66.85 N
289
+ ATOM 289 CA GLN A 41 -14.199 -0.521 77.308 1.00 65.39 C
290
+ ATOM 290 C GLN A 41 -13.577 -1.901 77.129 1.00 62.72 C
291
+ ATOM 291 O GLN A 41 -12.387 -2.104 77.403 1.00 63.35 O
292
+ ATOM 292 CB GLN A 41 -13.403 0.548 76.550 1.00 69.04 C
293
+ ATOM 293 CG GLN A 41 -14.148 1.865 76.361 1.00 75.68 C
294
+ ATOM 294 CD GLN A 41 -13.737 2.624 75.106 1.00 82.05 C
295
+ ATOM 295 OE1 GLN A 41 -12.687 2.365 74.510 1.00 82.72 O
296
+ ATOM 296 NE2 GLN A 41 -14.572 3.574 74.701 1.00 82.20 N
297
+ ATOM 297 N CYS A 42 -14.404 -2.850 76.696 1.00 60.66 N
298
+ ATOM 298 CA CYS A 42 -13.980 -4.237 76.527 1.00 65.81 C
299
+ ATOM 299 C CYS A 42 -14.268 -4.739 75.113 1.00 68.35 C
300
+ ATOM 300 O CYS A 42 -15.397 -4.637 74.621 1.00 73.43 O
301
+ ATOM 301 CB CYS A 42 -14.634 -5.153 77.576 1.00 71.14 C
302
+ ATOM 302 SG CYS A 42 -14.642 -4.516 79.275 1.00 84.31 S
303
+ ATOM 303 N ASP A 43 -13.224 -5.261 74.470 1.00 65.03 N
304
+ ATOM 304 CA ASP A 43 -13.303 -5.864 73.137 1.00 59.27 C
305
+ ATOM 305 C ASP A 43 -13.277 -7.387 73.276 1.00 54.42 C
306
+ ATOM 306 O ASP A 43 -12.672 -7.885 74.221 1.00 55.01 O
307
+ ATOM 307 CB ASP A 43 -12.117 -5.404 72.280 1.00 60.21 C
308
+ ATOM 308 CG ASP A 43 -12.199 -3.936 71.883 1.00 64.76 C
309
+ ATOM 309 OD1 ASP A 43 -13.116 -3.211 72.332 1.00 73.00 O
310
+ ATOM 310 OD2 ASP A 43 -11.325 -3.500 71.109 1.00 66.92 O
311
+ ATOM 311 N PRO A 44 -13.918 -8.131 72.338 1.00 50.72 N
312
+ ATOM 312 CA PRO A 44 -13.943 -9.601 72.452 1.00 50.61 C
313
+ ATOM 313 C PRO A 44 -12.616 -10.303 72.130 1.00 53.90 C
314
+ ATOM 314 O PRO A 44 -11.744 -9.723 71.475 1.00 56.86 O
315
+ ATOM 315 CB PRO A 44 -15.015 -10.014 71.435 1.00 46.06 C
316
+ ATOM 316 CG PRO A 44 -15.007 -8.930 70.423 1.00 43.48 C
317
+ ATOM 317 CD PRO A 44 -14.722 -7.668 71.187 1.00 46.56 C
318
+ ATOM 318 N CYS A 45 -12.494 -11.549 72.595 1.00 56.77 N
319
+ ATOM 319 CA CYS A 45 -11.370 -12.432 72.277 1.00 56.06 C
320
+ ATOM 320 C CYS A 45 -11.545 -13.014 70.869 1.00 55.18 C
321
+ ATOM 321 O CYS A 45 -12.483 -12.652 70.152 1.00 56.09 O
322
+ ATOM 322 CB CYS A 45 -11.255 -13.564 73.313 1.00 61.54 C
323
+ ATOM 323 SG CYS A 45 -11.107 -13.071 75.053 1.00 70.53 S
324
+ ATOM 324 N ILE A 46 -10.644 -13.913 70.478 1.00 52.94 N
325
+ ATOM 325 CA ILE A 46 -10.674 -14.503 69.143 1.00 54.42 C
326
+ ATOM 326 C ILE A 46 -11.227 -15.931 69.218 1.00 55.76 C
327
+ ATOM 327 O ILE A 46 -10.640 -16.781 69.900 1.00 54.21 O
328
+ ATOM 328 CB ILE A 46 -9.293 -14.462 68.440 1.00 55.35 C
329
+ ATOM 329 CG1 ILE A 46 -8.573 -13.127 68.697 1.00 55.07 C
330
+ ATOM 330 CG2 ILE A 46 -9.454 -14.711 66.940 1.00 55.09 C
331
+ ATOM 331 CD1 ILE A 46 -7.059 -13.215 68.675 1.00 57.07 C
332
+ ATOM 332 N PRO A 47 -12.367 -16.191 68.530 1.00 55.81 N
333
+ ATOM 333 CA PRO A 47 -13.042 -17.499 68.557 1.00 53.93 C
334
+ ATOM 334 C PRO A 47 -12.131 -18.645 68.128 1.00 57.44 C
335
+ ATOM 335 O PRO A 47 -11.592 -18.628 67.019 1.00 59.87 O
336
+ ATOM 336 CB PRO A 47 -14.188 -17.326 67.560 1.00 51.48 C
337
+ ATOM 337 CG PRO A 47 -14.463 -15.868 67.560 1.00 53.51 C
338
+ ATOM 338 CD PRO A 47 -13.133 -15.205 67.741 1.00 53.85 C
339
+ ATOM 339 N GLY A 48 -11.950 -19.614 69.025 1.00 58.74 N
340
+ ATOM 340 CA GLY A 48 -11.071 -20.760 68.785 1.00 60.17 C
341
+ ATOM 341 C GLY A 48 -9.582 -20.454 68.835 1.00 63.07 C
342
+ ATOM 342 O GLY A 48 -8.758 -21.331 68.545 1.00 67.03 O
343
+ ATOM 343 N VAL A 49 -9.238 -19.216 69.202 1.00 59.90 N
344
+ ATOM 344 CA VAL A 49 -7.843 -18.760 69.308 1.00 58.34 C
345
+ ATOM 345 C VAL A 49 -7.540 -18.304 70.745 1.00 59.43 C
346
+ ATOM 346 O VAL A 49 -6.548 -18.742 71.340 1.00 64.02 O
347
+ ATOM 347 CB VAL A 49 -7.502 -17.652 68.265 1.00 54.52 C
348
+ ATOM 348 CG1 VAL A 49 -6.089 -17.112 68.452 1.00 51.39 C
349
+ ATOM 349 CG2 VAL A 49 -7.679 -18.159 66.838 1.00 51.04 C
350
+ ATOM 350 N SER A 50 -8.403 -17.449 71.297 1.00 57.65 N
351
+ ATOM 351 CA SER A 50 -8.272 -16.972 72.680 1.00 59.47 C
352
+ ATOM 352 C SER A 50 -9.610 -16.922 73.442 1.00 61.00 C
353
+ ATOM 353 O SER A 50 -10.686 -16.944 72.832 1.00 62.05 O
354
+ ATOM 354 CB SER A 50 -7.543 -15.621 72.726 1.00 56.33 C
355
+ ATOM 355 OG SER A 50 -8.107 -14.691 71.820 1.00 57.51 O
356
+ ATOM 356 N PHE A 51 -9.523 -16.865 74.774 1.00 59.58 N
357
+ ATOM 357 CA PHE A 51 -10.688 -16.943 75.664 1.00 60.35 C
358
+ ATOM 358 C PHE A 51 -10.477 -16.210 76.995 1.00 60.89 C
359
+ ATOM 359 O PHE A 51 -9.338 -16.013 77.438 1.00 58.62 O
360
+ ATOM 360 CB PHE A 51 -11.048 -18.418 75.938 1.00 63.51 C
361
+ ATOM 361 CG PHE A 51 -10.193 -19.072 76.999 1.00 69.46 C
362
+ ATOM 362 CD1 PHE A 51 -8.884 -19.483 76.714 1.00 71.21 C
363
+ ATOM 363 CD2 PHE A 51 -10.690 -19.274 78.291 1.00 68.48 C
364
+ ATOM 364 CE1 PHE A 51 -8.088 -20.068 77.694 1.00 70.59 C
365
+ ATOM 365 CE2 PHE A 51 -9.900 -19.865 79.272 1.00 71.27 C
366
+ ATOM 366 CZ PHE A 51 -8.598 -20.264 78.973 1.00 70.68 C
367
+ ATOM 367 N SER A 52 -11.587 -15.832 77.632 1.00 62.17 N
368
+ ATOM 368 CA SER A 52 -11.590 -15.360 79.021 1.00 64.52 C
369
+ ATOM 369 C SER A 52 -12.853 -15.861 79.736 1.00 71.14 C
370
+ ATOM 370 O SER A 52 -13.969 -15.554 79.294 1.00 75.50 O
371
+ ATOM 371 CB SER A 52 -11.481 -13.835 79.092 1.00 61.06 C
372
+ ATOM 372 OG SER A 52 -12.572 -13.211 78.437 1.00 61.93 O
373
+ ATOM 373 N PRO A 53 -12.686 -16.639 80.833 1.00 74.27 N
374
+ ATOM 374 CA PRO A 53 -13.854 -17.278 81.463 1.00 76.83 C
375
+ ATOM 375 C PRO A 53 -14.646 -16.402 82.442 1.00 80.53 C
376
+ ATOM 376 O PRO A 53 -15.863 -16.574 82.567 1.00 78.26 O
377
+ ATOM 377 CB PRO A 53 -13.247 -18.489 82.182 1.00 72.89 C
378
+ ATOM 378 CG PRO A 53 -11.824 -18.119 82.446 1.00 73.92 C
379
+ ATOM 379 CD PRO A 53 -11.429 -16.993 81.526 1.00 73.93 C
380
+ ATOM 380 N ASP A 54 -13.961 -15.465 83.097 1.00 82.91 N
381
+ ATOM 381 CA ASP A 54 -14.508 -14.717 84.231 1.00 81.57 C
382
+ ATOM 382 C ASP A 54 -14.461 -13.202 84.046 1.00 78.09 C
383
+ ATOM 383 O ASP A 54 -13.706 -12.696 83.210 1.00 78.22 O
384
+ ATOM 384 CB ASP A 54 -13.770 -15.114 85.522 1.00 89.37 C
385
+ ATOM 385 CG ASP A 54 -12.247 -15.165 85.352 1.00 90.86 C
386
+ ATOM 386 OD1 ASP A 54 -11.627 -14.123 85.043 1.00 94.04 O
387
+ ATOM 387 OD2 ASP A 54 -11.671 -16.257 85.544 1.00 88.13 O
388
+ ATOM 388 N HIS A 55 -15.279 -12.495 84.832 1.00 77.15 N
389
+ ATOM 389 CA HIS A 55 -15.248 -11.031 84.935 1.00 71.59 C
390
+ ATOM 390 C HIS A 55 -13.898 -10.597 85.510 1.00 71.94 C
391
+ ATOM 391 O HIS A 55 -13.529 -11.011 86.614 1.00 75.47 O
392
+ ATOM 392 CB HIS A 55 -16.400 -10.523 85.811 1.00 64.94 C
393
+ ATOM 393 CG HIS A 55 -17.761 -10.763 85.230 1.00 63.45 C
394
+ ATOM 394 ND1 HIS A 55 -18.383 -11.993 85.271 1.00 63.28 N
395
+ ATOM 395 CD2 HIS A 55 -18.623 -9.927 84.604 1.00 63.82 C
396
+ ATOM 396 CE1 HIS A 55 -19.569 -11.905 84.693 1.00 63.81 C
397
+ ATOM 397 NE2 HIS A 55 -19.738 -10.662 84.278 1.00 63.90 N
398
+ ATOM 398 N HIS A 56 -13.164 -9.778 84.755 1.00 71.26 N
399
+ ATOM 399 CA HIS A 56 -11.745 -9.520 85.046 1.00 74.17 C
400
+ ATOM 400 C HIS A 56 -11.220 -8.144 84.603 1.00 72.60 C
401
+ ATOM 401 O HIS A 56 -11.938 -7.357 83.974 1.00 71.93 O
402
+ ATOM 402 CB HIS A 56 -10.886 -10.631 84.425 1.00 78.19 C
403
+ ATOM 403 CG HIS A 56 -10.835 -10.581 82.931 1.00 85.44 C
404
+ ATOM 404 ND1 HIS A 56 -11.921 -10.882 82.138 1.00 89.21 N
405
+ ATOM 405 CD2 HIS A 56 -9.835 -10.243 82.086 1.00 83.14 C
406
+ ATOM 406 CE1 HIS A 56 -11.589 -10.740 80.869 1.00 89.57 C
407
+ ATOM 407 NE2 HIS A 56 -10.327 -10.355 80.810 1.00 88.98 N
408
+ ATOM 408 N THR A 57 -9.954 -7.885 84.932 1.00 71.84 N
409
+ ATOM 409 CA THR A 57 -9.283 -6.615 84.634 1.00 78.33 C
410
+ ATOM 410 C THR A 57 -8.044 -6.760 83.714 1.00 75.37 C
411
+ ATOM 411 O THR A 57 -7.309 -5.790 83.495 1.00 74.60 O
412
+ ATOM 412 CB THR A 57 -8.948 -5.840 85.943 1.00 83.65 C
413
+ ATOM 413 OG1 THR A 57 -8.595 -4.487 85.631 1.00 94.20 O
414
+ ATOM 414 CG2 THR A 57 -7.804 -6.497 86.740 1.00 80.73 C
415
+ ATOM 415 N ARG A 58 -7.837 -7.964 83.174 1.00 74.26 N
416
+ ATOM 416 CA ARG A 58 -6.662 -8.291 82.346 1.00 75.21 C
417
+ ATOM 417 C ARG A 58 -6.683 -7.592 80.971 1.00 75.92 C
418
+ ATOM 418 O ARG A 58 -7.748 -7.491 80.351 1.00 70.52 O
419
+ ATOM 419 CB ARG A 58 -6.512 -9.813 82.183 1.00 76.29 C
420
+ ATOM 420 CG ARG A 58 -6.138 -10.547 83.466 1.00 81.71 C
421
+ ATOM 421 CD ARG A 58 -6.245 -12.063 83.340 1.00 84.83 C
422
+ ATOM 422 NE ARG A 58 -7.616 -12.552 83.519 1.00 88.76 N
423
+ ATOM 423 CZ ARG A 58 -8.303 -13.264 82.624 1.00 91.99 C
424
+ ATOM 424 NH1 ARG A 58 -7.766 -13.604 81.455 1.00 88.23 N
425
+ ATOM 425 NH2 ARG A 58 -9.542 -13.647 82.905 1.00 93.63 N
426
+ ATOM 426 N PRO A 59 -5.506 -7.111 80.492 1.00 77.77 N
427
+ ATOM 427 CA PRO A 59 -5.459 -6.381 79.217 1.00 74.22 C
428
+ ATOM 428 C PRO A 59 -5.506 -7.283 77.979 1.00 73.62 C
429
+ ATOM 429 O PRO A 59 -5.550 -6.777 76.857 1.00 79.03 O
430
+ ATOM 430 CB PRO A 59 -4.120 -5.642 79.290 1.00 73.71 C
431
+ ATOM 431 CG PRO A 59 -3.255 -6.532 80.116 1.00 75.36 C
432
+ ATOM 432 CD PRO A 59 -4.160 -7.226 81.099 1.00 75.72 C
433
+ ATOM 433 N HIS A 60 -5.484 -8.600 78.193 1.00 70.90 N
434
+ ATOM 434 CA HIS A 60 -5.550 -9.588 77.116 1.00 75.77 C
435
+ ATOM 435 C HIS A 60 -6.211 -10.884 77.579 1.00 71.87 C
436
+ ATOM 436 O HIS A 60 -6.311 -11.147 78.783 1.00 72.42 O
437
+ ATOM 437 CB HIS A 60 -4.152 -9.877 76.536 1.00 91.36 C
438
+ ATOM 438 CG HIS A 60 -3.157 -10.374 77.544 1.00103.72 C
439
+ ATOM 439 ND1 HIS A 60 -2.014 -9.675 77.865 1.00108.21 N
440
+ ATOM 440 CD2 HIS A 60 -3.130 -11.502 78.295 1.00106.03 C
441
+ ATOM 441 CE1 HIS A 60 -1.328 -10.347 78.772 1.00112.23 C
442
+ ATOM 442 NE2 HIS A 60 -1.985 -11.458 79.052 1.00111.23 N
443
+ ATOM 443 N CYS A 61 -6.646 -11.686 76.610 1.00 67.84 N
444
+ ATOM 444 CA CYS A 61 -7.232 -12.999 76.863 1.00 65.89 C
445
+ ATOM 445 C CYS A 61 -6.136 -14.050 77.050 1.00 71.40 C
446
+ ATOM 446 O CYS A 61 -4.956 -13.791 76.778 1.00 76.22 O
447
+ ATOM 447 CB CYS A 61 -8.148 -13.400 75.702 1.00 62.41 C
448
+ ATOM 448 SG CYS A 61 -9.310 -12.121 75.182 1.00 68.73 S
449
+ ATOM 449 N GLU A 62 -6.531 -15.226 77.536 1.00 69.78 N
450
+ ATOM 450 CA GLU A 62 -5.668 -16.400 77.539 1.00 67.25 C
451
+ ATOM 451 C GLU A 62 -5.905 -17.153 76.233 1.00 62.95 C
452
+ ATOM 452 O GLU A 62 -7.044 -17.274 75.786 1.00 57.34 O
453
+ ATOM 453 CB GLU A 62 -5.960 -17.285 78.757 1.00 74.16 C
454
+ ATOM 454 CG GLU A 62 -4.968 -18.430 78.955 1.00 91.61 C
455
+ ATOM 455 CD GLU A 62 -5.064 -19.113 80.314 1.00103.55 C
456
+ ATOM 456 OE1 GLU A 62 -6.165 -19.161 80.909 1.00108.97 O
457
+ ATOM 457 OE2 GLU A 62 -4.022 -19.621 80.787 1.00103.16 O
458
+ ATOM 458 N SER A 63 -4.826 -17.633 75.617 1.00 63.48 N
459
+ ATOM 459 CA SER A 63 -4.914 -18.361 74.348 1.00 64.25 C
460
+ ATOM 460 C SER A 63 -5.335 -19.818 74.551 1.00 65.37 C
461
+ ATOM 461 O SER A 63 -4.967 -20.443 75.553 1.00 61.44 O
462
+ ATOM 462 CB SER A 63 -3.603 -18.257 73.554 1.00 66.93 C
463
+ ATOM 463 OG SER A 63 -2.477 -18.619 74.334 1.00 67.44 O
464
+ ATOM 464 N CYS A 64 -6.102 -20.341 73.590 1.00 68.12 N
465
+ ATOM 465 CA CYS A 64 -6.695 -21.684 73.666 1.00 67.76 C
466
+ ATOM 466 C CYS A 64 -5.663 -22.810 73.714 1.00 67.22 C
467
+ ATOM 467 O CYS A 64 -4.530 -22.656 73.254 1.00 71.85 O
468
+ ATOM 468 CB CYS A 64 -7.670 -21.925 72.503 1.00 74.05 C
469
+ ATOM 469 SG CYS A 64 -9.027 -20.734 72.364 1.00 86.51 S
470
+ ATOM 470 N ARG A 65 -6.082 -23.932 74.294 1.00 68.51 N
471
+ ATOM 471 CA ARG A 65 -5.303 -25.164 74.367 1.00 66.79 C
472
+ ATOM 472 C ARG A 65 -5.404 -25.924 73.037 1.00 68.79 C
473
+ ATOM 473 O ARG A 65 -6.454 -25.899 72.381 1.00 67.09 O
474
+ ATOM 474 CB ARG A 65 -5.844 -26.002 75.529 1.00 65.94 C
475
+ ATOM 475 CG ARG A 65 -5.113 -27.294 75.874 1.00 62.09 C
476
+ ATOM 476 CD ARG A 65 -5.469 -27.740 77.286 1.00 61.70 C
477
+ ATOM 477 NE ARG A 65 -6.899 -27.584 77.579 1.00 63.65 N
478
+ ATOM 478 CZ ARG A 65 -7.412 -27.264 78.769 1.00 63.04 C
479
+ ATOM 479 NH1 ARG A 65 -6.624 -27.054 79.822 1.00 62.50 N
480
+ ATOM 480 NH2 ARG A 65 -8.728 -27.147 78.907 1.00 57.74 N
481
+ ATOM 481 N HIS A 66 -4.306 -26.580 72.653 1.00 69.85 N
482
+ ATOM 482 CA HIS A 66 -4.215 -27.371 71.415 1.00 72.86 C
483
+ ATOM 483 C HIS A 66 -3.967 -28.852 71.744 1.00 72.77 C
484
+ ATOM 484 O HIS A 66 -3.384 -29.170 72.787 1.00 75.30 O
485
+ ATOM 485 CB HIS A 66 -3.112 -26.797 70.511 1.00 77.96 C
486
+ ATOM 486 CG HIS A 66 -3.039 -27.419 69.147 1.00 90.40 C
487
+ ATOM 487 ND1 HIS A 66 -4.074 -27.356 68.237 1.00 94.07 N
488
+ ATOM 488 CD2 HIS A 66 -2.040 -28.096 68.532 1.00 90.38 C
489
+ ATOM 489 CE1 HIS A 66 -3.721 -27.980 67.127 1.00 94.03 C
490
+ ATOM 490 NE2 HIS A 66 -2.491 -28.437 67.279 1.00 93.75 N
491
+ ATOM 491 N CYS A 67 -4.416 -29.749 70.864 1.00 71.91 N
492
+ ATOM 492 CA CYS A 67 -4.340 -31.182 71.124 1.00 75.36 C
493
+ ATOM 493 C CYS A 67 -3.490 -31.887 70.076 1.00 76.35 C
494
+ ATOM 494 O CYS A 67 -3.675 -33.075 69.809 1.00 74.50 O
495
+ ATOM 495 CB CYS A 67 -5.740 -31.813 71.217 1.00 77.86 C
496
+ ATOM 496 SG CYS A 67 -7.037 -30.780 71.952 1.00 79.89 S
497
+ ATOM 497 N ASN A 68 -2.404 -31.254 69.635 0.01 0.00 N
498
+ ATOM 498 CA ASN A 68 -1.596 -31.683 68.469 0.01 0.00 C
499
+ ATOM 499 C ASN A 68 -1.682 -33.144 67.966 0.01 0.00 C
500
+ ATOM 500 O ASN A 68 -2.121 -33.366 66.836 0.01 0.00 O
501
+ ATOM 501 CB ASN A 68 -0.124 -31.295 68.681 0.01 0.00 C
502
+ ATOM 502 CG ASN A 68 0.557 -31.886 69.924 0.01 0.00 C
503
+ ATOM 503 OD1 ASN A 68 0.004 -32.737 70.628 0.01 0.00 O
504
+ ATOM 504 ND2 ASN A 68 1.754 -31.426 70.193 0.01 0.00 N
505
+ ATOM 505 N SER A 69 -1.212 -34.111 68.747 0.01 0.00 N
506
+ ATOM 506 CA SER A 69 -1.123 -35.513 68.322 0.01 0.00 C
507
+ ATOM 507 C SER A 69 -2.406 -36.324 68.491 0.01 0.00 C
508
+ ATOM 508 O SER A 69 -2.486 -37.477 68.052 0.01 0.00 O
509
+ ATOM 509 CB SER A 69 -0.003 -36.201 69.079 0.01 0.00 C
510
+ ATOM 510 OG SER A 69 -0.306 -36.320 70.446 0.01 0.00 O
511
+ ATOM 511 N GLY A 70 -3.378 -35.749 69.180 0.01 0.00 N
512
+ ATOM 512 CA GLY A 70 -4.630 -36.401 69.503 0.01 0.00 C
513
+ ATOM 513 C GLY A 70 -5.836 -35.785 68.801 0.01 0.00 C
514
+ ATOM 514 O GLY A 70 -5.774 -35.373 67.642 0.01 0.00 O
515
+ ATOM 515 N LEU A 71 -6.959 -35.819 69.511 0.01 0.00 N
516
+ ATOM 516 CA LEU A 71 -8.262 -35.369 69.047 0.01 0.00 C
517
+ ATOM 517 C LEU A 71 -8.803 -34.203 69.855 0.01 0.00 C
518
+ ATOM 518 O LEU A 71 -8.713 -34.223 71.074 0.01 0.00 O
519
+ ATOM 519 CB LEU A 71 -9.257 -36.544 69.171 0.01 0.00 C
520
+ ATOM 520 CG LEU A 71 -10.776 -36.269 68.886 0.01 0.00 C
521
+ ATOM 521 CD1 LEU A 71 -10.998 -35.941 67.428 0.01 0.00 C
522
+ ATOM 522 CD2 LEU A 71 -11.578 -37.487 69.295 0.01 0.00 C
523
+ ATOM 523 N LEU A 72 -9.414 -33.227 69.188 0.01 0.00 N
524
+ ATOM 524 CA LEU A 72 -10.115 -32.151 69.880 0.01 0.00 C
525
+ ATOM 525 C LEU A 72 -11.528 -32.618 70.168 0.01 0.00 C
526
+ ATOM 526 O LEU A 72 -12.285 -32.890 69.237 0.01 0.00 O
527
+ ATOM 527 CB LEU A 72 -10.165 -30.913 68.980 0.01 0.00 C
528
+ ATOM 528 CG LEU A 72 -10.997 -29.717 69.484 0.01 0.00 C
529
+ ATOM 529 CD1 LEU A 72 -10.431 -29.181 70.726 0.01 0.00 C
530
+ ATOM 530 CD2 LEU A 72 -11.013 -28.641 68.416 0.01 0.00 C
531
+ ATOM 531 N VAL A 73 -11.910 -32.679 71.446 1.00 75.32 N
532
+ ATOM 532 CA VAL A 73 -13.210 -33.251 71.773 1.00 81.12 C
533
+ ATOM 533 C VAL A 73 -14.248 -32.161 72.009 1.00 83.08 C
534
+ ATOM 534 O VAL A 73 -15.435 -32.352 71.744 1.00 79.62 O
535
+ ATOM 535 CB VAL A 73 -13.118 -34.248 72.963 1.00 84.49 C
536
+ ATOM 536 CG1 VAL A 73 -14.489 -34.784 73.359 1.00 83.69 C
537
+ ATOM 537 CG2 VAL A 73 -12.186 -35.404 72.620 1.00 87.95 C
538
+ ATOM 538 N ARG A 74 -13.793 -31.017 72.510 1.00 87.71 N
539
+ ATOM 539 CA ARG A 74 -14.651 -29.850 72.737 1.00 86.95 C
540
+ ATOM 540 C ARG A 74 -13.969 -28.566 72.274 1.00 84.33 C
541
+ ATOM 541 O ARG A 74 -12.840 -28.281 72.677 1.00 78.02 O
542
+ ATOM 542 CB ARG A 74 -15.070 -29.745 74.204 1.00 86.54 C
543
+ ATOM 543 CG ARG A 74 -16.538 -30.066 74.436 1.00 92.71 C
544
+ ATOM 544 CD ARG A 74 -17.049 -29.523 75.765 1.00 97.46 C
545
+ ATOM 545 NE ARG A 74 -16.828 -28.080 75.920 1.00 98.44 N
546
+ ATOM 546 CZ ARG A 74 -17.344 -27.326 76.891 1.00 96.45 C
547
+ ATOM 547 NH1 ARG A 74 -18.140 -27.853 77.818 1.00 91.71 N
548
+ ATOM 548 NH2 ARG A 74 -17.066 -26.028 76.930 1.00 88.48 N
549
+ ATOM 549 N ASN A 75 -14.671 -27.808 71.427 1.00 85.24 N
550
+ ATOM 550 CA ASN A 75 -14.154 -26.584 70.792 1.00 87.76 C
551
+ ATOM 551 C ASN A 75 -13.802 -25.477 71.784 1.00 87.13 C
552
+ ATOM 552 O ASN A 75 -14.418 -25.376 72.850 1.00 92.85 O
553
+ ATOM 553 CB ASN A 75 -15.192 -25.999 69.832 1.00 93.67 C
554
+ ATOM 554 CG ASN A 75 -15.670 -26.979 68.777 1.00103.47 C
555
+ ATOM 555 OD1 ASN A 75 -16.865 -27.289 68.723 1.00110.32 O
556
+ ATOM 556 ND2 ASN A 75 -14.757 -27.459 67.921 1.00100.91 N
557
+ ATOM 557 N CYS A 76 -12.826 -24.643 71.420 1.00 78.67 N
558
+ ATOM 558 CA CYS A 76 -12.553 -23.415 72.160 1.00 77.30 C
559
+ ATOM 559 C CYS A 76 -13.516 -22.321 71.710 1.00 76.29 C
560
+ ATOM 560 O CYS A 76 -13.684 -22.083 70.510 1.00 83.23 O
561
+ ATOM 561 CB CYS A 76 -11.100 -22.949 71.990 1.00 82.98 C
562
+ ATOM 562 SG CYS A 76 -10.634 -21.660 73.178 1.00 83.87 S
563
+ ATOM 563 N THR A 77 -14.159 -21.686 72.685 1.00 73.16 N
564
+ ATOM 564 CA THR A 77 -15.009 -20.515 72.457 1.00 71.92 C
565
+ ATOM 565 C THR A 77 -14.343 -19.337 73.156 1.00 70.00 C
566
+ ATOM 566 O THR A 77 -13.376 -19.526 73.897 1.00 73.10 O
567
+ ATOM 567 CB THR A 77 -16.438 -20.712 73.015 1.00 72.95 C
568
+ ATOM 568 OG1 THR A 77 -16.746 -22.108 73.101 1.00 77.34 O
569
+ ATOM 569 CG2 THR A 77 -17.470 -20.022 72.124 1.00 70.75 C
570
+ ATOM 570 N ILE A 78 -14.849 -18.129 72.922 1.00 69.55 N
571
+ ATOM 571 CA ILE A 78 -14.348 -16.926 73.600 1.00 71.42 C
572
+ ATOM 572 C ILE A 78 -14.510 -16.970 75.134 1.00 77.21 C
573
+ ATOM 573 O ILE A 78 -13.788 -16.275 75.854 1.00 77.76 O
574
+ ATOM 574 CB ILE A 78 -14.939 -15.614 73.010 1.00 67.52 C
575
+ ATOM 575 CG1 ILE A 78 -16.476 -15.669 72.930 1.00 64.32 C
576
+ ATOM 576 CG2 ILE A 78 -14.316 -15.322 71.647 1.00 65.29 C
577
+ ATOM 577 CD1 ILE A 78 -17.164 -14.326 73.082 1.00 60.12 C
578
+ ATOM 578 N THR A 79 -15.430 -17.812 75.615 1.00 79.54 N
579
+ ATOM 579 CA THR A 79 -15.710 -17.962 77.056 1.00 83.31 C
580
+ ATOM 580 C THR A 79 -15.051 -19.180 77.724 1.00 83.22 C
581
+ ATOM 581 O THR A 79 -14.639 -19.097 78.884 1.00 84.33 O
582
+ ATOM 582 CB THR A 79 -17.227 -17.971 77.357 1.00 83.11 C
583
+ ATOM 583 OG1 THR A 79 -17.896 -18.850 76.443 1.00 84.65 O
584
+ ATOM 584 CG2 THR A 79 -17.816 -16.559 77.246 1.00 77.99 C
585
+ ATOM 585 N ALA A 80 -14.963 -20.300 77.003 1.00 79.41 N
586
+ ATOM 586 CA ALA A 80 -14.331 -21.522 77.523 1.00 76.62 C
587
+ ATOM 587 C ALA A 80 -13.310 -22.091 76.541 1.00 75.83 C
588
+ ATOM 588 O ALA A 80 -13.571 -22.144 75.334 1.00 73.66 O
589
+ ATOM 589 CB ALA A 80 -15.385 -22.569 77.861 1.00 72.84 C
590
+ ATOM 590 N ASN A 81 -12.154 -22.515 77.055 1.00 74.47 N
591
+ ATOM 591 CA ASN A 81 -11.130 -23.116 76.189 1.00 80.75 C
592
+ ATOM 592 C ASN A 81 -11.408 -24.563 75.820 1.00 76.98 C
593
+ ATOM 593 O ASN A 81 -12.306 -25.194 76.377 1.00 78.69 O
594
+ ATOM 594 CB ASN A 81 -9.698 -22.933 76.719 1.00 84.04 C
595
+ ATOM 595 CG ASN A 81 -9.490 -23.509 78.101 1.00 84.47 C
596
+ ATOM 596 OD1 ASN A 81 -10.358 -23.420 78.971 1.00 89.58 O
597
+ ATOM 597 ND2 ASN A 81 -8.309 -24.075 78.322 1.00 83.06 N
598
+ ATOM 598 N ALA A 82 -10.628 -25.060 74.861 1.00 76.38 N
599
+ ATOM 599 CA ALA A 82 -10.772 -26.402 74.308 1.00 77.42 C
600
+ ATOM 600 C ALA A 82 -10.541 -27.512 75.335 1.00 77.30 C
601
+ ATOM 601 O ALA A 82 -9.822 -27.324 76.322 1.00 78.93 O
602
+ ATOM 602 CB ALA A 82 -9.837 -26.576 73.118 1.00 77.55 C
603
+ ATOM 603 N GLU A 83 -11.176 -28.657 75.090 1.00 76.54 N
604
+ ATOM 604 CA GLU A 83 -10.979 -29.869 75.883 1.00 79.50 C
605
+ ATOM 605 C GLU A 83 -10.641 -31.019 74.936 1.00 77.60 C
606
+ ATOM 606 O GLU A 83 -11.371 -31.268 73.970 1.00 76.50 O
607
+ ATOM 607 CB GLU A 83 -12.227 -30.180 76.716 1.00 86.97 C
608
+ ATOM 608 CG GLU A 83 -12.469 -29.206 77.865 1.00 95.23 C
609
+ ATOM 609 CD GLU A 83 -13.943 -28.951 78.143 1.00104.02 C
610
+ ATOM 610 OE1 GLU A 83 -14.695 -29.922 78.389 1.00112.46 O
611
+ ATOM 611 OE2 GLU A 83 -14.350 -27.769 78.128 1.00100.52 O
612
+ ATOM 612 N CYS A 84 -9.529 -31.700 75.214 1.00 76.36 N
613
+ ATOM 613 CA CYS A 84 -8.973 -32.717 74.312 1.00 76.53 C
614
+ ATOM 614 C CYS A 84 -9.288 -34.139 74.768 1.00 73.60 C
615
+ ATOM 615 O CYS A 84 -9.038 -34.505 75.916 1.00 73.11 O
616
+ ATOM 616 OXT CYS A 84 -9.786 -34.918 74.003 1.00 0.00 O
617
+ ATOM 617 CB CYS A 84 -7.457 -32.535 74.164 1.00 77.05 C
618
+ ATOM 618 SG CYS A 84 -6.928 -30.861 73.722 1.00 74.76 S
619
+ TER 619 CYS A 84
620
+ END
sabdab_v0.5.2_diffab_chothia/raw_pdbs/8691_5tlk_BA.pdb ADDED
The diff for this file is too large to render. See raw diff
 
sabdab_v0.5.2_diffab_chothia/raw_pdbs/8691_5tlk_BA_X.pdb ADDED
The diff for this file is too large to render. See raw diff