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THU-ATOM
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PDBbind_test

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linbc20 commited on
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1 Parent(s): 97fca6b

Add batch 5

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  1. 6e6j/6e6j_ligand.mol2 +151 -0
  2. 6e6j/6e6j_ligand.sdf +139 -0
  3. 6e6j/6e6j_protein_alphafold_aligned_tr_fix.pdb +908 -0
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  5. 6e6j/6e6j_protein_processed_fix.pdb +0 -0
  6. 6e6j/6e6j_rdkit_ligand.pdb +100 -0
  7. 6e6v/6e6v_ligand.mol2 +52 -0
  8. 6e6v/6e6v_ligand.sdf +44 -0
  9. 6e6v/6e6v_protein_alphafold_aligned_tr_fix.pdb +0 -0
  10. 6e6v/6e6v_protein_esmfold_aligned_tr_fix.pdb +0 -0
  11. 6e6v/6e6v_protein_processed_fix.pdb +0 -0
  12. 6e6v/6e6v_rdkit_ligand.pdb +32 -0
  13. 6e6w/6e6w_ligand.mol2 +84 -0
  14. 6e6w/6e6w_ligand.sdf +74 -0
  15. 6e6w/6e6w_protein_alphafold_aligned_tr_fix.pdb +0 -0
  16. 6e6w/6e6w_protein_esmfold_aligned_tr_fix.pdb +0 -0
  17. 6e6w/6e6w_protein_processed_fix.pdb +0 -0
  18. 6e6w/6e6w_rdkit_ligand.pdb +56 -0
  19. 6e7m/6e7m_ligand.mol2 +120 -0
  20. 6e7m/6e7m_ligand.sdf +110 -0
  21. 6e7m/6e7m_protein_alphafold_aligned_tr_fix.pdb +0 -0
  22. 6e7m/6e7m_protein_esmfold_aligned_tr_fix.pdb +0 -0
  23. 6e7m/6e7m_protein_processed_fix.pdb +0 -0
  24. 6e7m/6e7m_rdkit_ligand.pdb +74 -0
  25. 6eeb/6eeb_ligand.mol2 +119 -0
  26. 6eeb/6eeb_ligand.sdf +107 -0
  27. 6eeb/6eeb_protein_alphafold_aligned_tr_fix.pdb +1123 -0
  28. 6eeb/6eeb_protein_esmfold_aligned_tr_fix.pdb +1123 -0
  29. 6eeb/6eeb_protein_processed_fix.pdb +0 -0
  30. 6eeb/6eeb_rdkit_ligand.pdb +75 -0
  31. 6efk/6efk_ligand.mol2 +183 -0
  32. 6efk/6efk_ligand.sdf +181 -0
  33. 6efk/6efk_protein_alphafold_aligned_tr_fix.pdb +1071 -0
  34. 6efk/6efk_protein_esmfold_aligned_tr_fix.pdb +1071 -0
  35. 6efk/6efk_protein_processed_fix.pdb +0 -0
  36. 6efk/6efk_rdkit_ligand.pdb +126 -0
  37. 6fcj/6fcj_ligand.mol2 +80 -0
  38. 6fcj/6fcj_ligand.sdf +70 -0
  39. 6fcj/6fcj_protein_alphafold_aligned_tr_fix.pdb +0 -0
  40. 6fcj/6fcj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  41. 6fcj/6fcj_protein_processed_fix.pdb +0 -0
  42. 6fcj/6fcj_rdkit_ligand.pdb +51 -0
  43. 6fe5/6fe5_ligand.mol2 +91 -0
  44. 6fe5/6fe5_ligand.sdf +87 -0
  45. 6fe5/6fe5_protein_alphafold_aligned_tr_fix.pdb +0 -0
  46. 6fe5/6fe5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  47. 6fe5/6fe5_protein_processed_fix.pdb +0 -0
  48. 6fe5/6fe5_rdkit_ligand.pdb +60 -0
  49. 6ffe/6ffe_ligand.mol2 +109 -0
  50. 6ffe/6ffe_ligand.sdf +101 -0
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+ $$$$
6e6j/6e6j_protein_alphafold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,908 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C HIS A 1 43.132 -6.344 19.862 1.00 82.78 C
2
+ ATOM 2 CA HIS A 1 43.826 -4.988 19.907 1.00 82.78 C
3
+ ATOM 3 CB HIS A 1 45.243 -5.104 19.342 1.00 82.78 C
4
+ ATOM 4 CD2 HIS A 1 46.684 -2.948 19.350 1.00 82.78 C
5
+ ATOM 5 CE1 HIS A 1 46.051 -2.142 17.412 1.00 82.78 C
6
+ ATOM 6 CG HIS A 1 45.789 -3.814 18.819 1.00 82.78 C
7
+ ATOM 7 N HIS A 1 43.861 -4.458 21.265 1.00 82.78 N
8
+ ATOM 8 ND1 HIS A 1 45.411 -3.283 17.605 1.00 82.78 N
9
+ ATOM 9 NE2 HIS A 1 46.831 -1.916 18.455 1.00 82.78 N
10
+ ATOM 10 O HIS A 1 42.053 -6.475 19.278 1.00 82.78 O
11
+ ATOM 11 C MET A 2 41.466 -8.576 21.172 1.00 89.74 C
12
+ ATOM 12 CA MET A 2 42.915 -8.553 20.698 1.00 89.74 C
13
+ ATOM 13 CB MET A 2 43.762 -9.489 21.563 1.00 89.74 C
14
+ ATOM 14 CE MET A 2 46.112 -10.810 23.355 1.00 89.74 C
15
+ ATOM 15 CG MET A 2 45.081 -9.890 20.921 1.00 89.74 C
16
+ ATOM 16 N MET A 2 43.454 -7.196 20.731 1.00 89.74 N
17
+ ATOM 17 O MET A 2 40.630 -9.272 20.594 1.00 89.74 O
18
+ ATOM 18 SD MET A 2 45.795 -11.405 21.671 1.00 89.74 S
19
+ ATOM 19 C GLU A 3 38.800 -7.135 21.608 1.00 93.96 C
20
+ ATOM 20 CA GLU A 3 39.774 -7.696 22.641 1.00 93.96 C
21
+ ATOM 21 CB GLU A 3 39.733 -6.851 23.917 1.00 93.96 C
22
+ ATOM 22 CD GLU A 3 39.549 -8.779 25.561 1.00 93.96 C
23
+ ATOM 23 CG GLU A 3 40.327 -7.546 25.133 1.00 93.96 C
24
+ ATOM 24 N GLU A 3 41.132 -7.756 22.109 1.00 93.96 N
25
+ ATOM 25 O GLU A 3 37.678 -7.628 21.473 1.00 93.96 O
26
+ ATOM 26 OE1 GLU A 3 40.177 -9.821 25.857 1.00 93.96 O
27
+ ATOM 27 OE2 GLU A 3 38.301 -8.703 25.599 1.00 93.96 O
28
+ ATOM 28 C GLN A 4 38.085 -6.584 18.759 1.00 95.83 C
29
+ ATOM 29 CA GLN A 4 38.361 -5.586 19.882 1.00 95.83 C
30
+ ATOM 30 CB GLN A 4 39.017 -4.327 19.315 1.00 95.83 C
31
+ ATOM 31 CD GLN A 4 39.610 -1.891 19.668 1.00 95.83 C
32
+ ATOM 32 CG GLN A 4 39.021 -3.148 20.279 1.00 95.83 C
33
+ ATOM 33 N GLN A 4 39.199 -6.180 20.918 1.00 95.83 N
34
+ ATOM 34 NE2 GLN A 4 39.000 -0.747 19.961 1.00 95.83 N
35
+ ATOM 35 O GLN A 4 36.954 -6.692 18.282 1.00 95.83 O
36
+ ATOM 36 OE1 GLN A 4 40.604 -1.947 18.937 1.00 95.83 O
37
+ ATOM 37 C LEU A 5 37.849 -9.518 17.792 1.00 97.07 C
38
+ ATOM 38 CA LEU A 5 38.788 -8.414 17.316 1.00 97.07 C
39
+ ATOM 39 CB LEU A 5 40.129 -9.018 16.891 1.00 97.07 C
40
+ ATOM 40 CD1 LEU A 5 42.320 -8.864 15.681 1.00 97.07 C
41
+ ATOM 41 CD2 LEU A 5 40.262 -7.833 14.682 1.00 97.07 C
42
+ ATOM 42 CG LEU A 5 41.001 -8.157 15.975 1.00 97.07 C
43
+ ATOM 43 N LEU A 5 38.986 -7.413 18.358 1.00 97.07 N
44
+ ATOM 44 O LEU A 5 37.086 -10.074 17.000 1.00 97.07 O
45
+ ATOM 45 C LYS A 6 35.489 -10.117 19.519 1.00 96.94 C
46
+ ATOM 46 CA LYS A 6 36.902 -10.676 19.648 1.00 96.94 C
47
+ ATOM 47 CB LYS A 6 37.218 -10.967 21.116 1.00 96.94 C
48
+ ATOM 48 CD LYS A 6 38.655 -12.167 22.800 1.00 96.94 C
49
+ ATOM 49 CE LYS A 6 39.861 -13.074 23.005 1.00 96.94 C
50
+ ATOM 50 CG LYS A 6 38.374 -11.934 21.321 1.00 96.94 C
51
+ ATOM 51 N LYS A 6 37.886 -9.755 19.086 1.00 96.94 N
52
+ ATOM 52 NZ LYS A 6 40.206 -13.217 24.452 1.00 96.94 N
53
+ ATOM 53 O LYS A 6 34.551 -10.853 19.200 1.00 96.94 O
54
+ ATOM 54 C HIS A 7 33.611 -8.222 18.132 1.00 97.83 C
55
+ ATOM 55 CA HIS A 7 34.047 -8.201 19.594 1.00 97.83 C
56
+ ATOM 56 CB HIS A 7 34.108 -6.760 20.102 1.00 97.83 C
57
+ ATOM 57 CD2 HIS A 7 31.967 -5.363 19.665 1.00 97.83 C
58
+ ATOM 58 CE1 HIS A 7 30.950 -5.748 21.570 1.00 97.83 C
59
+ ATOM 59 CG HIS A 7 32.767 -6.170 20.400 1.00 97.83 C
60
+ ATOM 60 N HIS A 7 35.336 -8.861 19.769 1.00 97.83 N
61
+ ATOM 61 ND1 HIS A 7 32.104 -6.394 21.588 1.00 97.83 N
62
+ ATOM 62 NE2 HIS A 7 30.843 -5.115 20.414 1.00 97.83 N
63
+ ATOM 63 O HIS A 7 32.470 -8.575 17.825 1.00 97.83 O
64
+ ATOM 64 C CYS A 8 33.763 -9.455 15.386 1.00 98.22 C
65
+ ATOM 65 CA CYS A 8 34.275 -8.070 15.770 1.00 98.22 C
66
+ ATOM 66 CB CYS A 8 35.532 -7.741 14.964 1.00 98.22 C
67
+ ATOM 67 N CYS A 8 34.549 -7.993 17.200 1.00 98.22 N
68
+ ATOM 68 O CYS A 8 32.804 -9.576 14.624 1.00 98.22 O
69
+ ATOM 69 SG CYS A 8 36.045 -6.014 15.090 1.00 98.22 S
70
+ ATOM 70 C ASN A 9 32.463 -12.048 16.195 1.00 98.22 C
71
+ ATOM 71 CA ASN A 9 33.891 -11.845 15.696 1.00 98.22 C
72
+ ATOM 72 CB ASN A 9 34.831 -12.864 16.346 1.00 98.22 C
73
+ ATOM 73 CG ASN A 9 34.551 -14.284 15.898 1.00 98.22 C
74
+ ATOM 74 N ASN A 9 34.358 -10.485 15.946 1.00 98.22 N
75
+ ATOM 75 ND2 ASN A 9 34.474 -15.203 16.854 1.00 98.22 N
76
+ ATOM 76 O ASN A 9 31.675 -12.754 15.563 1.00 98.22 O
77
+ ATOM 77 OD1 ASN A 9 34.406 -14.555 14.703 1.00 98.22 O
78
+ ATOM 78 C GLY A 10 29.739 -10.772 16.867 1.00 97.98 C
79
+ ATOM 79 CA GLY A 10 30.701 -11.456 17.820 1.00 97.98 C
80
+ ATOM 80 N GLY A 10 32.073 -11.467 17.338 1.00 97.98 N
81
+ ATOM 81 O GLY A 10 28.665 -11.302 16.574 1.00 97.98 O
82
+ ATOM 82 C ILE A 11 29.153 -9.721 14.054 1.00 98.38 C
83
+ ATOM 83 CA ILE A 11 29.346 -8.863 15.303 1.00 98.38 C
84
+ ATOM 84 CB ILE A 11 30.007 -7.517 14.931 1.00 98.38 C
85
+ ATOM 85 CD1 ILE A 11 30.895 -5.335 15.939 1.00 98.38 C
86
+ ATOM 86 CG1 ILE A 11 30.078 -6.600 16.159 1.00 98.38 C
87
+ ATOM 87 CG2 ILE A 11 29.247 -6.840 13.787 1.00 98.38 C
88
+ ATOM 88 N ILE A 11 30.138 -9.594 16.286 1.00 98.38 N
89
+ ATOM 89 O ILE A 11 28.030 -9.879 13.570 1.00 98.38 O
90
+ ATOM 90 C LEU A 12 29.146 -12.345 12.598 1.00 98.61 C
91
+ ATOM 91 CA LEU A 12 30.133 -11.203 12.384 1.00 98.61 C
92
+ ATOM 92 CB LEU A 12 31.520 -11.764 12.061 1.00 98.61 C
93
+ ATOM 93 CD1 LEU A 12 31.049 -12.036 9.613 1.00 98.61 C
94
+ ATOM 94 CD2 LEU A 12 33.045 -13.161 10.637 1.00 98.61 C
95
+ ATOM 95 CG LEU A 12 31.605 -12.711 10.862 1.00 98.61 C
96
+ ATOM 96 N LEU A 12 30.194 -10.340 13.560 1.00 98.61 N
97
+ ATOM 97 O LEU A 12 28.318 -12.626 11.730 1.00 98.61 O
98
+ ATOM 98 C LYS A 13 26.791 -13.580 14.069 1.00 98.25 C
99
+ ATOM 99 CA LYS A 13 28.233 -14.079 14.068 1.00 98.25 C
100
+ ATOM 100 CB LYS A 13 28.580 -14.684 15.429 1.00 98.25 C
101
+ ATOM 101 CD LYS A 13 30.154 -16.080 16.811 1.00 98.25 C
102
+ ATOM 102 CE LYS A 13 31.381 -16.980 16.797 1.00 98.25 C
103
+ ATOM 103 CG LYS A 13 29.821 -15.564 15.417 1.00 98.25 C
104
+ ATOM 104 N LYS A 13 29.162 -13.002 13.734 1.00 98.25 N
105
+ ATOM 105 NZ LYS A 13 31.710 -17.491 18.162 1.00 98.25 N
106
+ ATOM 106 O LYS A 13 25.883 -14.288 13.629 1.00 98.25 O
107
+ ATOM 107 C GLU A 14 24.773 -11.543 13.150 1.00 98.28 C
108
+ ATOM 108 CA GLU A 14 25.262 -11.760 14.580 1.00 98.28 C
109
+ ATOM 109 CB GLU A 14 25.283 -10.429 15.337 1.00 98.28 C
110
+ ATOM 110 CD GLU A 14 22.967 -10.387 16.379 1.00 98.28 C
111
+ ATOM 111 CG GLU A 14 23.930 -9.736 15.399 1.00 98.28 C
112
+ ATOM 112 N GLU A 14 26.583 -12.382 14.597 1.00 98.28 N
113
+ ATOM 113 O GLU A 14 23.652 -11.924 12.807 1.00 98.28 O
114
+ ATOM 114 OE1 GLU A 14 21.776 -10.002 16.406 1.00 98.28 O
115
+ ATOM 115 OE2 GLU A 14 23.408 -11.287 17.129 1.00 98.28 O
116
+ ATOM 116 C LEU A 15 24.913 -12.091 10.126 1.00 98.34 C
117
+ ATOM 117 CA LEU A 15 25.225 -10.789 10.855 1.00 98.34 C
118
+ ATOM 118 CB LEU A 15 26.359 -10.050 10.142 1.00 98.34 C
119
+ ATOM 119 CD1 LEU A 15 27.875 -8.068 9.897 1.00 98.34 C
120
+ ATOM 120 CD2 LEU A 15 25.514 -7.750 10.686 1.00 98.34 C
121
+ ATOM 121 CG LEU A 15 26.727 -8.673 10.698 1.00 98.34 C
122
+ ATOM 122 N LEU A 15 25.577 -11.044 12.248 1.00 98.34 N
123
+ ATOM 123 O LEU A 15 24.072 -12.117 9.225 1.00 98.34 O
124
+ ATOM 124 C LEU A 16 24.142 -15.271 10.533 1.00 98.35 C
125
+ ATOM 125 CA LEU A 16 25.291 -14.502 9.891 1.00 98.35 C
126
+ ATOM 126 CB LEU A 16 26.584 -15.316 9.986 1.00 98.35 C
127
+ ATOM 127 CD1 LEU A 16 29.041 -15.529 9.533 1.00 98.35 C
128
+ ATOM 128 CD2 LEU A 16 27.444 -15.152 7.634 1.00 98.35 C
129
+ ATOM 129 CG LEU A 16 27.742 -14.856 9.100 1.00 98.35 C
130
+ ATOM 130 N LEU A 16 25.462 -13.198 10.524 1.00 98.35 N
131
+ ATOM 131 O LEU A 16 23.810 -16.376 10.096 1.00 98.35 O
132
+ ATOM 132 C SER A 17 21.154 -15.567 11.491 1.00 97.86 C
133
+ ATOM 133 CA SER A 17 22.446 -15.464 12.295 1.00 97.86 C
134
+ ATOM 134 CB SER A 17 22.168 -14.788 13.638 1.00 97.86 C
135
+ ATOM 135 N SER A 17 23.472 -14.733 11.558 1.00 97.86 N
136
+ ATOM 136 O SER A 17 20.840 -14.680 10.696 1.00 97.86 O
137
+ ATOM 137 OG SER A 17 21.380 -13.623 13.462 1.00 97.86 O
138
+ ATOM 138 C LYS A 18 18.121 -15.608 11.361 1.00 97.76 C
139
+ ATOM 139 CA LYS A 18 19.099 -16.754 11.117 1.00 97.76 C
140
+ ATOM 140 CB LYS A 18 18.492 -18.072 11.600 1.00 97.76 C
141
+ ATOM 141 CD LYS A 18 18.500 -20.587 11.504 1.00 97.76 C
142
+ ATOM 142 CE LYS A 18 19.234 -21.827 11.011 1.00 97.76 C
143
+ ATOM 143 CG LYS A 18 19.223 -19.310 11.099 1.00 97.76 C
144
+ ATOM 144 N LYS A 18 20.377 -16.505 11.779 1.00 97.76 N
145
+ ATOM 145 NZ LYS A 18 18.537 -23.083 11.418 1.00 97.76 N
146
+ ATOM 146 O LYS A 18 17.203 -15.388 10.568 1.00 97.76 O
147
+ ATOM 147 C LYS A 19 17.481 -12.738 11.667 1.00 97.50 C
148
+ ATOM 148 CA LYS A 19 17.574 -13.742 12.812 1.00 97.50 C
149
+ ATOM 149 CB LYS A 19 18.134 -13.061 14.063 1.00 97.50 C
150
+ ATOM 150 CD LYS A 19 17.968 -11.183 15.730 1.00 97.50 C
151
+ ATOM 151 CE LYS A 19 17.207 -9.930 16.140 1.00 97.50 C
152
+ ATOM 152 CG LYS A 19 17.315 -11.870 14.537 1.00 97.50 C
153
+ ATOM 153 N LYS A 19 18.399 -14.888 12.440 1.00 97.50 N
154
+ ATOM 154 NZ LYS A 19 17.881 -9.216 17.266 1.00 97.50 N
155
+ ATOM 155 O LYS A 19 16.452 -12.084 11.490 1.00 97.50 O
156
+ ATOM 156 C HIS A 20 18.539 -12.254 8.455 1.00 98.11 C
157
+ ATOM 157 CA HIS A 20 18.633 -11.646 9.849 1.00 98.11 C
158
+ ATOM 158 CB HIS A 20 19.944 -10.873 9.999 1.00 98.11 C
159
+ ATOM 159 CD2 HIS A 20 21.073 -10.328 12.270 1.00 98.11 C
160
+ ATOM 160 CE1 HIS A 20 19.590 -8.900 13.020 1.00 98.11 C
161
+ ATOM 161 CG HIS A 20 20.104 -10.214 11.332 1.00 98.11 C
162
+ ATOM 162 N HIS A 20 18.523 -12.672 10.880 1.00 98.11 N
163
+ ATOM 163 ND1 HIS A 20 19.188 -9.313 11.830 1.00 98.11 N
164
+ ATOM 164 NE2 HIS A 20 20.731 -9.501 13.311 1.00 98.11 N
165
+ ATOM 165 O HIS A 20 18.648 -11.544 7.453 1.00 98.11 O
166
+ ATOM 166 C ALA A 21 17.460 -13.725 5.977 1.00 98.22 C
167
+ ATOM 167 CA ALA A 21 18.368 -14.298 7.062 1.00 98.22 C
168
+ ATOM 168 CB ALA A 21 18.033 -15.767 7.309 1.00 98.22 C
169
+ ATOM 169 N ALA A 21 18.252 -13.534 8.301 1.00 98.22 N
170
+ ATOM 170 O ALA A 21 17.822 -13.716 4.797 1.00 98.22 O
171
+ ATOM 171 C ALA A 22 15.866 -11.499 4.502 1.00 98.11 C
172
+ ATOM 172 CA ALA A 22 15.307 -12.636 5.353 1.00 98.11 C
173
+ ATOM 173 CB ALA A 22 14.057 -12.174 6.098 1.00 98.11 C
174
+ ATOM 174 N ALA A 22 16.309 -13.128 6.295 1.00 98.11 N
175
+ ATOM 175 O ALA A 22 15.356 -11.221 3.414 1.00 98.11 O
176
+ ATOM 176 C TYR A 23 18.983 -9.824 4.163 1.00 98.16 C
177
+ ATOM 177 CA TYR A 23 17.464 -9.729 4.233 1.00 98.16 C
178
+ ATOM 178 CB TYR A 23 17.053 -8.396 4.866 1.00 98.16 C
179
+ ATOM 179 CD1 TYR A 23 16.315 -8.591 7.273 1.00 98.16 C
180
+ ATOM 180 CD2 TYR A 23 18.579 -7.972 6.829 1.00 98.16 C
181
+ ATOM 181 CE1 TYR A 23 16.557 -8.520 8.641 1.00 98.16 C
182
+ ATOM 182 CE2 TYR A 23 18.832 -7.898 8.195 1.00 98.16 C
183
+ ATOM 183 CG TYR A 23 17.321 -8.318 6.349 1.00 98.16 C
184
+ ATOM 184 CZ TYR A 23 17.817 -8.174 9.092 1.00 98.16 C
185
+ ATOM 185 N TYR A 23 16.905 -10.847 4.987 1.00 98.16 N
186
+ ATOM 186 O TYR A 23 19.632 -9.012 3.498 1.00 98.16 O
187
+ ATOM 187 OH TYR A 23 18.062 -8.101 10.445 1.00 98.16 O
188
+ ATOM 188 C ALA A 24 21.546 -11.926 3.748 1.00 98.66 C
189
+ ATOM 189 CA ALA A 24 21.082 -10.919 4.796 1.00 98.66 C
190
+ ATOM 190 CB ALA A 24 21.592 -11.319 6.179 1.00 98.66 C
191
+ ATOM 191 N ALA A 24 19.627 -10.803 4.805 1.00 98.66 N
192
+ ATOM 192 O ALA A 24 22.712 -11.923 3.349 1.00 98.66 O
193
+ ATOM 193 C TRP A 25 21.810 -13.561 1.155 1.00 98.06 C
194
+ ATOM 194 CA TRP A 25 21.073 -13.956 2.431 1.00 98.06 C
195
+ ATOM 195 CB TRP A 25 19.824 -14.772 2.082 1.00 98.06 C
196
+ ATOM 196 CD1 TRP A 25 17.750 -13.424 1.399 1.00 98.06 C
197
+ ATOM 197 CD2 TRP A 25 19.066 -14.026 -0.310 1.00 98.06 C
198
+ ATOM 198 CE2 TRP A 25 17.969 -13.296 -0.819 1.00 98.06 C
199
+ ATOM 199 CE3 TRP A 25 20.033 -14.509 -1.202 1.00 98.06 C
200
+ ATOM 200 CG TRP A 25 18.906 -14.094 1.111 1.00 98.06 C
201
+ ATOM 201 CH2 TRP A 25 18.771 -13.524 -3.035 1.00 98.06 C
202
+ ATOM 202 CZ2 TRP A 25 17.811 -13.040 -2.183 1.00 98.06 C
203
+ ATOM 203 CZ3 TRP A 25 19.874 -14.252 -2.560 1.00 98.06 C
204
+ ATOM 204 N TRP A 25 20.713 -12.777 3.211 1.00 98.06 N
205
+ ATOM 205 NE1 TRP A 25 17.181 -12.942 0.242 1.00 98.06 N
206
+ ATOM 206 O TRP A 25 22.724 -14.262 0.717 1.00 98.06 O
207
+ ATOM 207 C PRO A 26 23.799 -11.896 -0.455 1.00 97.79 C
208
+ ATOM 208 CA PRO A 26 22.309 -12.112 -0.709 1.00 97.79 C
209
+ ATOM 209 CB PRO A 26 21.646 -10.825 -1.207 1.00 97.79 C
210
+ ATOM 210 CD PRO A 26 20.389 -11.429 0.785 1.00 97.79 C
211
+ ATOM 211 CG PRO A 26 20.286 -10.831 -0.589 1.00 97.79 C
212
+ ATOM 212 N PRO A 26 21.565 -12.422 0.514 1.00 97.79 N
213
+ ATOM 213 O PRO A 26 24.596 -11.895 -1.397 1.00 97.79 O
214
+ ATOM 214 C PHE A 27 26.302 -12.367 1.790 1.00 98.56 C
215
+ ATOM 215 CA PHE A 27 25.484 -11.228 1.196 1.00 98.56 C
216
+ ATOM 216 CB PHE A 27 25.422 -10.056 2.181 1.00 98.56 C
217
+ ATOM 217 CD1 PHE A 27 24.960 -8.104 0.664 1.00 98.56 C
218
+ ATOM 218 CD2 PHE A 27 23.338 -8.659 2.330 1.00 98.56 C
219
+ ATOM 219 CE1 PHE A 27 24.160 -7.047 0.230 1.00 98.56 C
220
+ ATOM 220 CE2 PHE A 27 22.534 -7.605 1.904 1.00 98.56 C
221
+ ATOM 221 CG PHE A 27 24.556 -8.916 1.715 1.00 98.56 C
222
+ ATOM 222 CZ PHE A 27 22.947 -6.801 0.854 1.00 98.56 C
223
+ ATOM 223 N PHE A 27 24.140 -11.679 0.851 1.00 98.56 N
224
+ ATOM 224 O PHE A 27 27.474 -12.187 2.127 1.00 98.56 O
225
+ ATOM 225 C TYR A 28 27.553 -15.238 1.729 1.00 98.33 C
226
+ ATOM 226 CA TYR A 28 26.404 -14.697 2.573 1.00 98.33 C
227
+ ATOM 227 CB TYR A 28 25.400 -15.817 2.866 1.00 98.33 C
228
+ ATOM 228 CD1 TYR A 28 24.619 -14.392 4.800 1.00 98.33 C
229
+ ATOM 229 CD2 TYR A 28 23.243 -16.220 4.110 1.00 98.33 C
230
+ ATOM 230 CE1 TYR A 28 23.702 -14.070 5.796 1.00 98.33 C
231
+ ATOM 231 CE2 TYR A 28 22.321 -15.907 5.103 1.00 98.33 C
232
+ ATOM 232 CG TYR A 28 24.402 -15.470 3.944 1.00 98.33 C
233
+ ATOM 233 CZ TYR A 28 22.558 -14.832 5.939 1.00 98.33 C
234
+ ATOM 234 N TYR A 28 25.745 -13.581 1.904 1.00 98.33 N
235
+ ATOM 235 O TYR A 28 28.551 -15.723 2.266 1.00 98.33 O
236
+ ATOM 236 OH TYR A 28 21.648 -14.518 6.924 1.00 98.33 O
237
+ ATOM 237 C LYS A 29 28.732 -14.679 -1.618 1.00 97.73 C
238
+ ATOM 238 CA LYS A 29 28.405 -15.701 -0.534 1.00 97.73 C
239
+ ATOM 239 CB LYS A 29 27.880 -16.989 -1.168 1.00 97.73 C
240
+ ATOM 240 CD LYS A 29 27.293 -19.422 -0.898 1.00 97.73 C
241
+ ATOM 241 CE LYS A 29 27.148 -20.581 0.079 1.00 97.73 C
242
+ ATOM 242 CG LYS A 29 27.736 -18.147 -0.191 1.00 97.73 C
243
+ ATOM 243 N LYS A 29 27.436 -15.166 0.418 1.00 97.73 N
244
+ ATOM 244 NZ LYS A 29 26.722 -21.836 -0.609 1.00 97.73 N
245
+ ATOM 245 O LYS A 29 27.996 -13.709 -1.807 1.00 97.73 O
246
+ ATOM 246 C PRO A 30 29.086 -14.005 -4.483 1.00 97.69 C
247
+ ATOM 247 CA PRO A 30 30.215 -14.079 -3.459 1.00 97.69 C
248
+ ATOM 248 CB PRO A 30 31.465 -14.716 -4.070 1.00 97.69 C
249
+ ATOM 249 CD PRO A 30 30.976 -16.016 -2.074 1.00 97.69 C
250
+ ATOM 250 CG PRO A 30 32.078 -15.501 -2.955 1.00 97.69 C
251
+ ATOM 251 N PRO A 30 29.902 -14.963 -2.333 1.00 97.69 N
252
+ ATOM 252 O PRO A 30 28.399 -15.002 -4.724 1.00 97.69 O
253
+ ATOM 253 C VAL A 31 28.432 -13.638 -7.402 1.00 97.49 C
254
+ ATOM 254 CA VAL A 31 28.012 -12.713 -6.263 1.00 97.49 C
255
+ ATOM 255 CB VAL A 31 27.955 -11.251 -6.757 1.00 97.49 C
256
+ ATOM 256 CG1 VAL A 31 27.144 -11.148 -8.049 1.00 97.49 C
257
+ ATOM 257 CG2 VAL A 31 27.363 -10.346 -5.678 1.00 97.49 C
258
+ ATOM 258 N VAL A 31 28.929 -12.863 -5.139 1.00 97.49 N
259
+ ATOM 259 O VAL A 31 29.575 -13.584 -7.864 1.00 97.49 O
260
+ ATOM 260 C ASP A 32 27.271 -14.472 -10.251 1.00 97.30 C
261
+ ATOM 261 CA ASP A 32 27.724 -15.249 -9.017 1.00 97.30 C
262
+ ATOM 262 CB ASP A 32 26.980 -16.583 -8.933 1.00 97.30 C
263
+ ATOM 263 CG ASP A 32 27.377 -17.554 -10.029 1.00 97.30 C
264
+ ATOM 264 N ASP A 32 27.517 -14.469 -7.801 1.00 97.30 N
265
+ ATOM 265 O ASP A 32 26.167 -14.689 -10.757 1.00 97.30 O
266
+ ATOM 266 OD1 ASP A 32 27.862 -17.110 -11.092 1.00 97.30 O
267
+ ATOM 267 OD2 ASP A 32 27.202 -18.777 -9.830 1.00 97.30 O
268
+ ATOM 268 C ALA A 33 27.430 -13.495 -13.071 1.00 97.19 C
269
+ ATOM 269 CA ALA A 33 27.854 -12.748 -11.810 1.00 97.19 C
270
+ ATOM 270 CB ALA A 33 29.048 -11.844 -12.107 1.00 97.19 C
271
+ ATOM 271 N ALA A 33 28.177 -13.680 -10.732 1.00 97.19 N
272
+ ATOM 272 O ALA A 33 26.513 -13.066 -13.776 1.00 97.19 O
273
+ ATOM 273 C SER A 34 26.399 -16.000 -14.457 1.00 97.38 C
274
+ ATOM 274 CA SER A 34 27.788 -15.379 -14.550 1.00 97.38 C
275
+ ATOM 275 CB SER A 34 28.835 -16.478 -14.744 1.00 97.38 C
276
+ ATOM 276 N SER A 34 28.093 -14.584 -13.365 1.00 97.38 N
277
+ ATOM 277 O SER A 34 25.580 -15.842 -15.365 1.00 97.38 O
278
+ ATOM 278 OG SER A 34 28.628 -17.159 -15.969 1.00 97.38 O
279
+ ATOM 279 C ALA A 35 23.656 -16.294 -13.154 1.00 97.36 C
280
+ ATOM 280 CA ALA A 35 24.804 -17.301 -13.162 1.00 97.36 C
281
+ ATOM 281 CB ALA A 35 24.821 -18.092 -11.855 1.00 97.36 C
282
+ ATOM 282 N ALA A 35 26.086 -16.634 -13.371 1.00 97.36 N
283
+ ATOM 283 O ALA A 35 22.543 -16.609 -13.579 1.00 97.36 O
284
+ ATOM 284 C LEU A 36 22.846 -13.152 -13.940 1.00 96.35 C
285
+ ATOM 285 CA LEU A 36 22.919 -13.993 -12.670 1.00 96.35 C
286
+ ATOM 286 CB LEU A 36 23.221 -13.096 -11.467 1.00 96.35 C
287
+ ATOM 287 CD1 LEU A 36 23.616 -12.823 -9.006 1.00 96.35 C
288
+ ATOM 288 CD2 LEU A 36 21.558 -14.004 -9.821 1.00 96.35 C
289
+ ATOM 289 CG LEU A 36 23.033 -13.728 -10.086 1.00 96.35 C
290
+ ATOM 290 N LEU A 36 23.929 -15.037 -12.796 1.00 96.35 N
291
+ ATOM 291 O LEU A 36 22.011 -12.250 -14.045 1.00 96.35 O
292
+ ATOM 292 C GLY A 37 24.226 -11.283 -16.022 1.00 96.99 C
293
+ ATOM 293 CA GLY A 37 23.751 -12.716 -16.164 1.00 96.99 C
294
+ ATOM 294 N GLY A 37 23.728 -13.439 -14.902 1.00 96.99 N
295
+ ATOM 295 O GLY A 37 23.794 -10.403 -16.771 1.00 96.99 O
296
+ ATOM 296 C LEU A 38 26.850 -9.506 -15.434 1.00 97.20 C
297
+ ATOM 297 CA LEU A 38 25.531 -9.715 -14.698 1.00 97.20 C
298
+ ATOM 298 CB LEU A 38 25.732 -9.506 -13.195 1.00 97.20 C
299
+ ATOM 299 CD1 LEU A 38 24.881 -9.575 -10.837 1.00 97.20 C
300
+ ATOM 300 CD2 LEU A 38 23.364 -8.841 -12.696 1.00 97.20 C
301
+ ATOM 301 CG LEU A 38 24.514 -9.763 -12.305 1.00 97.20 C
302
+ ATOM 302 N LEU A 38 24.993 -11.045 -14.962 1.00 97.20 N
303
+ ATOM 303 O LEU A 38 27.918 -9.522 -14.817 1.00 97.20 O
304
+ ATOM 304 C HIS A 39 28.956 -7.980 -17.294 1.00 97.59 C
305
+ ATOM 305 CA HIS A 39 27.992 -9.120 -17.605 1.00 97.59 C
306
+ ATOM 306 CB HIS A 39 27.530 -9.034 -19.060 1.00 97.59 C
307
+ ATOM 307 CD2 HIS A 39 25.406 -10.219 -19.965 1.00 97.59 C
308
+ ATOM 308 CE1 HIS A 39 26.136 -12.283 -19.872 1.00 97.59 C
309
+ ATOM 309 CG HIS A 39 26.672 -10.184 -19.486 1.00 97.59 C
310
+ ATOM 310 N HIS A 39 26.846 -9.102 -16.702 1.00 97.59 N
311
+ ATOM 311 ND1 HIS A 39 27.103 -11.491 -19.438 1.00 97.59 N
312
+ ATOM 312 NE2 HIS A 39 25.096 -11.536 -20.197 1.00 97.59 N
313
+ ATOM 313 O HIS A 39 30.141 -8.054 -17.629 1.00 97.59 O
314
+ ATOM 314 C ASP A 40 29.692 -5.741 -14.907 1.00 98.22 C
315
+ ATOM 315 CA ASP A 40 29.279 -5.786 -16.376 1.00 98.22 C
316
+ ATOM 316 CB ASP A 40 28.537 -4.502 -16.753 1.00 98.22 C
317
+ ATOM 317 CG ASP A 40 27.243 -4.315 -15.981 1.00 98.22 C
318
+ ATOM 318 N ASP A 40 28.450 -6.956 -16.653 1.00 98.22 N
319
+ ATOM 319 O ASP A 40 30.370 -4.804 -14.477 1.00 98.22 O
320
+ ATOM 320 OD1 ASP A 40 26.813 -5.254 -15.277 1.00 98.22 O
321
+ ATOM 321 OD2 ASP A 40 26.647 -3.220 -16.081 1.00 98.22 O
322
+ ATOM 322 C TYR A 41 30.964 -6.425 -12.241 1.00 97.97 C
323
+ ATOM 323 CA TYR A 41 29.511 -6.691 -12.615 1.00 97.97 C
324
+ ATOM 324 CB TYR A 41 29.042 -8.007 -11.986 1.00 97.97 C
325
+ ATOM 325 CD1 TYR A 41 30.255 -8.628 -9.859 1.00 97.97 C
326
+ ATOM 326 CD2 TYR A 41 28.171 -7.473 -9.679 1.00 97.97 C
327
+ ATOM 327 CE1 TYR A 41 30.366 -8.659 -8.473 1.00 97.97 C
328
+ ATOM 328 CE2 TYR A 41 28.272 -7.498 -8.292 1.00 97.97 C
329
+ ATOM 329 CG TYR A 41 29.158 -8.037 -10.481 1.00 97.97 C
330
+ ATOM 330 CZ TYR A 41 29.371 -8.092 -7.699 1.00 97.97 C
331
+ ATOM 331 N TYR A 41 29.343 -6.728 -14.063 1.00 97.97 N
332
+ ATOM 332 O TYR A 41 31.257 -5.495 -11.487 1.00 97.97 O
333
+ ATOM 333 OH TYR A 41 29.475 -8.119 -6.326 1.00 97.97 O
334
+ ATOM 334 C HIS A 42 34.019 -5.854 -13.067 1.00 97.78 C
335
+ ATOM 335 CA HIS A 42 33.345 -7.051 -12.403 1.00 97.78 C
336
+ ATOM 336 CB HIS A 42 34.084 -8.339 -12.769 1.00 97.78 C
337
+ ATOM 337 CD2 HIS A 42 33.123 -10.704 -12.309 1.00 97.78 C
338
+ ATOM 338 CE1 HIS A 42 33.365 -10.721 -10.131 1.00 97.78 C
339
+ ATOM 339 CG HIS A 42 33.673 -9.521 -11.950 1.00 97.78 C
340
+ ATOM 340 N HIS A 42 31.940 -7.142 -12.783 1.00 97.78 N
341
+ ATOM 341 ND1 HIS A 42 33.812 -9.560 -10.579 1.00 97.78 N
342
+ ATOM 342 NE2 HIS A 42 32.941 -11.433 -11.160 1.00 97.78 N
343
+ ATOM 343 O HIS A 42 35.128 -5.471 -12.687 1.00 97.78 O
344
+ ATOM 344 C ASP A 43 33.525 -2.841 -13.634 1.00 98.17 C
345
+ ATOM 345 CA ASP A 43 33.802 -3.981 -14.610 1.00 98.17 C
346
+ ATOM 346 CB ASP A 43 33.140 -3.690 -15.959 1.00 98.17 C
347
+ ATOM 347 CG ASP A 43 33.548 -4.671 -17.044 1.00 98.17 C
348
+ ATOM 348 N ASP A 43 33.335 -5.256 -14.075 1.00 98.17 N
349
+ ATOM 349 O ASP A 43 34.301 -1.886 -13.549 1.00 98.17 O
350
+ ATOM 350 OD1 ASP A 43 34.676 -5.205 -16.989 1.00 98.17 O
351
+ ATOM 351 OD2 ASP A 43 32.735 -4.909 -17.963 1.00 98.17 O
352
+ ATOM 352 C ILE A 44 32.611 -2.222 -10.565 1.00 98.16 C
353
+ ATOM 353 CA ILE A 44 32.050 -1.966 -11.962 1.00 98.16 C
354
+ ATOM 354 CB ILE A 44 30.507 -1.909 -11.918 1.00 98.16 C
355
+ ATOM 355 CD1 ILE A 44 28.442 -1.652 -13.414 1.00 98.16 C
356
+ ATOM 356 CG1 ILE A 44 29.950 -1.483 -13.282 1.00 98.16 C
357
+ ATOM 357 CG2 ILE A 44 30.033 -0.962 -10.813 1.00 98.16 C
358
+ ATOM 358 N ILE A 44 32.521 -2.999 -12.879 1.00 98.16 N
359
+ ATOM 359 O ILE A 44 33.138 -1.311 -9.924 1.00 98.16 O
360
+ ATOM 360 C ILE A 45 34.333 -4.494 -8.947 1.00 98.17 C
361
+ ATOM 361 CA ILE A 45 32.948 -3.861 -8.834 1.00 98.17 C
362
+ ATOM 362 CB ILE A 45 31.967 -4.838 -8.147 1.00 98.17 C
363
+ ATOM 363 CD1 ILE A 45 30.527 -2.828 -7.474 1.00 98.17 C
364
+ ATOM 364 CG1 ILE A 45 30.564 -4.226 -8.078 1.00 98.17 C
365
+ ATOM 365 CG2 ILE A 45 32.470 -5.215 -6.751 1.00 98.17 C
366
+ ATOM 366 N ILE A 45 32.473 -3.472 -10.158 1.00 98.17 N
367
+ ATOM 367 O ILE A 45 34.456 -5.697 -9.192 1.00 98.17 O
368
+ ATOM 368 C LYS A 46 37.211 -4.900 -7.463 1.00 98.07 C
369
+ ATOM 369 CA LYS A 46 36.730 -4.116 -8.680 1.00 98.07 C
370
+ ATOM 370 CB LYS A 46 37.627 -2.898 -8.909 1.00 98.07 C
371
+ ATOM 371 CD LYS A 46 37.281 -2.955 -11.401 1.00 98.07 C
372
+ ATOM 372 CE LYS A 46 37.032 -2.127 -12.654 1.00 98.07 C
373
+ ATOM 373 CG LYS A 46 37.271 -2.090 -10.147 1.00 98.07 C
374
+ ATOM 374 N LYS A 46 35.338 -3.706 -8.526 1.00 98.07 N
375
+ ATOM 375 NZ LYS A 46 36.871 -2.988 -13.864 1.00 98.07 N
376
+ ATOM 376 O LYS A 46 38.175 -5.664 -7.550 1.00 98.07 O
377
+ ATOM 377 C HIS A 47 35.679 -5.958 -4.462 1.00 98.12 C
378
+ ATOM 378 CA HIS A 47 36.937 -5.365 -5.088 1.00 98.12 C
379
+ ATOM 379 CB HIS A 47 37.612 -4.408 -4.104 1.00 98.12 C
380
+ ATOM 380 CD2 HIS A 47 39.206 -2.531 -4.922 1.00 98.12 C
381
+ ATOM 381 CE1 HIS A 47 40.963 -3.775 -5.339 1.00 98.12 C
382
+ ATOM 382 CG HIS A 47 38.882 -3.812 -4.622 1.00 98.12 C
383
+ ATOM 383 N HIS A 47 36.631 -4.680 -6.338 1.00 98.12 N
384
+ ATOM 384 ND1 HIS A 47 40.002 -4.568 -4.895 1.00 98.12 N
385
+ ATOM 385 NE2 HIS A 47 40.506 -2.534 -5.365 1.00 98.12 N
386
+ ATOM 386 O HIS A 47 35.128 -5.395 -3.513 1.00 98.12 O
387
+ ATOM 387 C PRO A 48 34.324 -8.195 -2.932 1.00 98.38 C
388
+ ATOM 388 CA PRO A 48 34.100 -7.772 -4.382 1.00 98.38 C
389
+ ATOM 389 CB PRO A 48 33.878 -8.993 -5.278 1.00 98.38 C
390
+ ATOM 390 CD PRO A 48 35.776 -7.724 -6.116 1.00 98.38 C
391
+ ATOM 391 CG PRO A 48 34.739 -8.749 -6.476 1.00 98.38 C
392
+ ATOM 392 N PRO A 48 35.276 -7.129 -4.973 1.00 98.38 N
393
+ ATOM 393 O PRO A 48 35.436 -8.579 -2.562 1.00 98.38 O
394
+ ATOM 394 C MET A 49 31.994 -9.176 -0.328 1.00 98.49 C
395
+ ATOM 395 CA MET A 49 33.319 -8.550 -0.751 1.00 98.49 C
396
+ ATOM 396 CB MET A 49 33.628 -7.335 0.125 1.00 98.49 C
397
+ ATOM 397 CE MET A 49 36.580 -7.990 1.280 1.00 98.49 C
398
+ ATOM 398 CG MET A 49 33.817 -7.672 1.595 1.00 98.49 C
399
+ ATOM 399 N MET A 49 33.289 -8.172 -2.161 1.00 98.49 N
400
+ ATOM 400 O MET A 49 30.934 -8.787 -0.820 1.00 98.49 O
401
+ ATOM 401 SD MET A 49 35.136 -8.919 1.866 1.00 98.49 S
402
+ ATOM 402 C ASP A 50 31.200 -11.349 2.520 1.00 98.75 C
403
+ ATOM 403 CA ASP A 50 30.919 -10.848 1.105 1.00 98.75 C
404
+ ATOM 404 CB ASP A 50 30.514 -12.016 0.204 1.00 98.75 C
405
+ ATOM 405 CG ASP A 50 31.578 -13.096 0.118 1.00 98.75 C
406
+ ATOM 406 N ASP A 50 32.080 -10.155 0.554 1.00 98.75 N
407
+ ATOM 407 O ASP A 50 32.349 -11.347 2.968 1.00 98.75 O
408
+ ATOM 408 OD1 ASP A 50 31.583 -14.016 0.962 1.00 98.75 O
409
+ ATOM 409 OD2 ASP A 50 32.422 -13.023 -0.802 1.00 98.75 O
410
+ ATOM 410 C LEU A 51 31.127 -13.515 4.702 1.00 98.70 C
411
+ ATOM 411 CA LEU A 51 30.319 -12.228 4.569 1.00 98.70 C
412
+ ATOM 412 CB LEU A 51 28.942 -12.407 5.212 1.00 98.70 C
413
+ ATOM 413 CD1 LEU A 51 26.766 -11.469 6.033 1.00 98.70 C
414
+ ATOM 414 CD2 LEU A 51 28.900 -10.205 6.416 1.00 98.70 C
415
+ ATOM 415 CG LEU A 51 28.142 -11.128 5.469 1.00 98.70 C
416
+ ATOM 416 N LEU A 51 30.183 -11.843 3.169 1.00 98.70 N
417
+ ATOM 417 O LEU A 51 31.818 -13.718 5.703 1.00 98.70 O
418
+ ATOM 418 C SER A 52 33.409 -15.266 3.664 1.00 98.70 C
419
+ ATOM 419 CA SER A 52 31.930 -15.620 3.777 1.00 98.70 C
420
+ ATOM 420 CB SER A 52 31.547 -16.606 2.671 1.00 98.70 C
421
+ ATOM 421 N SER A 52 31.093 -14.427 3.710 1.00 98.70 N
422
+ ATOM 422 O SER A 52 34.253 -15.892 4.308 1.00 98.70 O
423
+ ATOM 423 OG SER A 52 32.006 -16.149 1.410 1.00 98.70 O
424
+ ATOM 424 C THR A 53 35.579 -13.137 4.047 1.00 98.64 C
425
+ ATOM 425 CA THR A 53 35.154 -13.788 2.734 1.00 98.64 C
426
+ ATOM 426 CB THR A 53 35.304 -12.775 1.584 1.00 98.64 C
427
+ ATOM 427 CG2 THR A 53 36.703 -12.168 1.564 1.00 98.64 C
428
+ ATOM 428 N THR A 53 33.787 -14.289 2.824 1.00 98.64 N
429
+ ATOM 429 O THR A 53 36.649 -13.441 4.579 1.00 98.64 O
430
+ ATOM 430 OG1 THR A 53 35.064 -13.437 0.337 1.00 98.64 O
431
+ ATOM 431 C VAL A 54 35.224 -12.747 7.009 1.00 98.71 C
432
+ ATOM 432 CA VAL A 54 35.009 -11.684 5.933 1.00 98.71 C
433
+ ATOM 433 CB VAL A 54 33.859 -10.738 6.342 1.00 98.71 C
434
+ ATOM 434 CG1 VAL A 54 34.122 -10.129 7.718 1.00 98.71 C
435
+ ATOM 435 CG2 VAL A 54 33.674 -9.640 5.295 1.00 98.71 C
436
+ ATOM 436 N VAL A 54 34.746 -12.326 4.650 1.00 98.71 N
437
+ ATOM 437 O VAL A 54 36.162 -12.652 7.806 1.00 98.71 O
438
+ ATOM 438 C LYS A 55 35.875 -15.538 7.791 1.00 98.58 C
439
+ ATOM 439 CA LYS A 55 34.531 -14.831 7.940 1.00 98.58 C
440
+ ATOM 440 CB LYS A 55 33.389 -15.830 7.750 1.00 98.58 C
441
+ ATOM 441 CD LYS A 55 32.237 -17.936 8.511 1.00 98.58 C
442
+ ATOM 442 CE LYS A 55 32.320 -19.157 9.416 1.00 98.58 C
443
+ ATOM 443 CG LYS A 55 33.426 -17.005 8.716 1.00 98.58 C
444
+ ATOM 444 N LYS A 55 34.409 -13.726 6.993 1.00 98.58 N
445
+ ATOM 445 NZ LYS A 55 33.267 -20.180 8.878 1.00 98.58 N
446
+ ATOM 446 O LYS A 55 36.566 -15.783 8.781 1.00 98.58 O
447
+ ATOM 447 C ARG A 56 38.688 -15.689 6.788 1.00 98.62 C
448
+ ATOM 448 CA ARG A 56 37.514 -16.536 6.312 1.00 98.62 C
449
+ ATOM 449 CB ARG A 56 37.659 -16.842 4.819 1.00 98.62 C
450
+ ATOM 450 CD ARG A 56 39.040 -17.848 2.968 1.00 98.62 C
451
+ ATOM 451 CG ARG A 56 38.933 -17.593 4.466 1.00 98.62 C
452
+ ATOM 452 CZ ARG A 56 38.224 -16.263 1.255 1.00 98.62 C
453
+ ATOM 453 N ARG A 56 36.244 -15.869 6.577 1.00 98.62 N
454
+ ATOM 454 NE ARG A 56 39.084 -16.599 2.211 1.00 98.62 N
455
+ ATOM 455 NH1 ARG A 56 37.232 -17.078 0.917 1.00 98.62 N
456
+ ATOM 456 NH2 ARG A 56 38.357 -15.102 0.629 1.00 98.62 N
457
+ ATOM 457 O ARG A 56 39.614 -16.201 7.424 1.00 98.62 O
458
+ ATOM 458 C LYS A 57 39.768 -13.440 8.445 1.00 98.48 C
459
+ ATOM 459 CA LYS A 57 39.690 -13.485 6.921 1.00 98.48 C
460
+ ATOM 460 CB LYS A 57 39.454 -12.079 6.366 1.00 98.48 C
461
+ ATOM 461 CD LYS A 57 39.408 -10.546 4.371 1.00 98.48 C
462
+ ATOM 462 CE LYS A 57 40.473 -9.547 4.803 1.00 98.48 C
463
+ ATOM 463 CG LYS A 57 39.720 -11.949 4.875 1.00 98.48 C
464
+ ATOM 464 N LYS A 57 38.640 -14.396 6.474 1.00 98.48 N
465
+ ATOM 465 NZ LYS A 57 40.290 -8.221 4.141 1.00 98.48 N
466
+ ATOM 466 O LYS A 57 40.860 -13.442 9.016 1.00 98.48 O
467
+ ATOM 467 C MET A 58 39.184 -14.698 11.174 1.00 98.31 C
468
+ ATOM 468 CA MET A 58 38.579 -13.416 10.613 1.00 98.31 C
469
+ ATOM 469 CB MET A 58 37.135 -13.264 11.094 1.00 98.31 C
470
+ ATOM 470 CE MET A 58 36.869 -10.445 12.927 1.00 98.31 C
471
+ ATOM 471 CG MET A 58 36.994 -13.223 12.607 1.00 98.31 C
472
+ ATOM 472 N MET A 58 38.639 -13.405 9.154 1.00 98.31 N
473
+ ATOM 473 O MET A 58 40.047 -14.650 12.052 1.00 98.31 O
474
+ ATOM 474 SD MET A 58 37.939 -11.844 13.364 1.00 98.31 S
475
+ ATOM 475 C GLU A 59 40.823 -17.358 10.849 1.00 98.23 C
476
+ ATOM 476 CA GLU A 59 39.329 -17.168 11.090 1.00 98.23 C
477
+ ATOM 477 CB GLU A 59 38.537 -18.272 10.383 1.00 98.23 C
478
+ ATOM 478 CD GLU A 59 36.274 -19.374 10.037 1.00 98.23 C
479
+ ATOM 479 CG GLU A 59 37.102 -18.408 10.870 1.00 98.23 C
480
+ ATOM 480 N GLU A 59 38.885 -15.852 10.642 1.00 98.23 N
481
+ ATOM 481 O GLU A 59 41.514 -17.977 11.661 1.00 98.23 O
482
+ ATOM 482 OE1 GLU A 59 35.198 -19.809 10.503 1.00 98.23 O
483
+ ATOM 483 OE2 GLU A 59 36.708 -19.699 8.909 1.00 98.23 O
484
+ ATOM 484 C ASN A 60 43.592 -15.811 10.112 1.00 98.21 C
485
+ ATOM 485 CA ASN A 60 42.752 -16.876 9.413 1.00 98.21 C
486
+ ATOM 486 CB ASN A 60 42.919 -16.772 7.896 1.00 98.21 C
487
+ ATOM 487 CG ASN A 60 42.387 -17.990 7.165 1.00 98.21 C
488
+ ATOM 488 N ASN A 60 41.344 -16.775 9.782 1.00 98.21 N
489
+ ATOM 489 ND2 ASN A 60 42.212 -17.864 5.854 1.00 98.21 N
490
+ ATOM 490 O ASN A 60 44.809 -15.757 9.931 1.00 98.21 O
491
+ ATOM 491 OD1 ASN A 60 42.134 -19.032 7.773 1.00 98.21 O
492
+ ATOM 492 C ARG A 61 44.288 -12.820 10.567 1.00 97.50 C
493
+ ATOM 493 CA ARG A 61 43.631 -13.789 11.544 1.00 97.50 C
494
+ ATOM 494 CB ARG A 61 44.667 -14.311 12.542 1.00 97.50 C
495
+ ATOM 495 CD ARG A 61 45.167 -15.753 14.545 1.00 97.50 C
496
+ ATOM 496 CG ARG A 61 44.111 -15.313 13.540 1.00 97.50 C
497
+ ATOM 497 CZ ARG A 61 45.221 -17.029 16.662 1.00 97.50 C
498
+ ATOM 498 N ARG A 61 42.996 -14.897 10.838 1.00 97.50 N
499
+ ATOM 499 NE ARG A 61 44.623 -16.690 15.524 1.00 97.50 N
500
+ ATOM 500 NH1 ARG A 61 46.401 -16.514 16.989 1.00 97.50 N
501
+ ATOM 501 NH2 ARG A 61 44.636 -17.891 17.481 1.00 97.50 N
502
+ ATOM 502 O ARG A 61 45.362 -12.283 10.845 1.00 97.50 O
503
+ ATOM 503 C ASP A 62 43.926 -10.262 8.890 1.00 98.11 C
504
+ ATOM 504 CA ASP A 62 44.146 -11.720 8.493 1.00 98.11 C
505
+ ATOM 505 CB ASP A 62 43.468 -12.008 7.152 1.00 98.11 C
506
+ ATOM 506 CG ASP A 62 43.792 -13.388 6.607 1.00 98.11 C
507
+ ATOM 507 N ASP A 62 43.648 -12.626 9.523 1.00 98.11 N
508
+ ATOM 508 O ASP A 62 44.583 -9.363 8.361 1.00 98.11 O
509
+ ATOM 509 OD1 ASP A 62 44.783 -14.003 7.055 1.00 98.11 O
510
+ ATOM 510 OD2 ASP A 62 43.051 -13.864 5.720 1.00 98.11 O
511
+ ATOM 511 C TYR A 63 43.755 -8.218 11.322 1.00 97.97 C
512
+ ATOM 512 CA TYR A 63 42.747 -8.639 10.260 1.00 97.97 C
513
+ ATOM 513 CB TYR A 63 41.323 -8.501 10.809 1.00 97.97 C
514
+ ATOM 514 CD1 TYR A 63 40.245 -7.949 8.592 1.00 97.97 C
515
+ ATOM 515 CD2 TYR A 63 39.237 -9.633 9.952 1.00 97.97 C
516
+ ATOM 516 CE1 TYR A 63 39.257 -8.125 7.630 1.00 97.97 C
517
+ ATOM 517 CE2 TYR A 63 38.244 -9.818 8.997 1.00 97.97 C
518
+ ATOM 518 CG TYR A 63 40.250 -8.698 9.766 1.00 97.97 C
519
+ ATOM 519 CZ TYR A 63 38.262 -9.061 7.840 1.00 97.97 C
520
+ ATOM 520 N TYR A 63 42.995 -10.007 9.818 1.00 97.97 N
521
+ ATOM 521 O TYR A 63 43.915 -8.896 12.340 1.00 97.97 O
522
+ ATOM 522 OH TYR A 63 37.282 -9.240 6.890 1.00 97.97 O
523
+ ATOM 523 C ARG A 64 44.512 -5.792 13.222 1.00 97.35 C
524
+ ATOM 524 CA ARG A 64 45.238 -6.453 12.055 1.00 97.35 C
525
+ ATOM 525 CB ARG A 64 46.155 -5.439 11.367 1.00 97.35 C
526
+ ATOM 526 CD ARG A 64 47.900 -4.997 9.605 1.00 97.35 C
527
+ ATOM 527 CG ARG A 64 47.115 -6.057 10.364 1.00 97.35 C
528
+ ATOM 528 CZ ARG A 64 47.510 -3.534 7.650 1.00 97.35 C
529
+ ATOM 529 N ARG A 64 44.291 -7.018 11.101 1.00 97.35 N
530
+ ATOM 530 NE ARG A 64 47.242 -4.630 8.355 1.00 97.35 N
531
+ ATOM 531 NH1 ARG A 64 48.432 -2.673 8.061 1.00 97.35 N
532
+ ATOM 532 NH2 ARG A 64 46.850 -3.298 6.525 1.00 97.35 N
533
+ ATOM 533 O ARG A 64 45.014 -5.783 14.348 1.00 97.35 O
534
+ ATOM 534 C ASP A 65 41.086 -4.470 13.539 1.00 97.44 C
535
+ ATOM 535 CA ASP A 65 42.560 -4.537 13.935 1.00 97.44 C
536
+ ATOM 536 CB ASP A 65 43.102 -3.127 14.176 1.00 97.44 C
537
+ ATOM 537 CG ASP A 65 43.167 -2.291 12.909 1.00 97.44 C
538
+ ATOM 538 N ASP A 65 43.346 -5.221 12.914 1.00 97.44 N
539
+ ATOM 539 O ASP A 65 40.686 -5.036 12.520 1.00 97.44 O
540
+ ATOM 540 OD1 ASP A 65 42.244 -2.382 12.071 1.00 97.44 O
541
+ ATOM 541 OD2 ASP A 65 44.151 -1.539 12.745 1.00 97.44 O
542
+ ATOM 542 C ALA A 66 38.520 -2.823 13.005 1.00 97.86 C
543
+ ATOM 543 CA ALA A 66 38.865 -3.705 14.203 1.00 97.86 C
544
+ ATOM 544 CB ALA A 66 38.207 -3.159 15.468 1.00 97.86 C
545
+ ATOM 545 N ALA A 66 40.311 -3.802 14.383 1.00 97.86 N
546
+ ATOM 546 O ALA A 66 37.472 -2.997 12.380 1.00 97.86 O
547
+ ATOM 547 C GLN A 67 39.220 -1.735 10.262 1.00 97.86 C
548
+ ATOM 548 CA GLN A 67 39.130 -1.014 11.603 1.00 97.86 C
549
+ ATOM 549 CB GLN A 67 40.111 0.159 11.634 1.00 97.86 C
550
+ ATOM 550 CD GLN A 67 40.321 2.560 12.410 1.00 97.86 C
551
+ ATOM 551 CG GLN A 67 39.834 1.162 12.746 1.00 97.86 C
552
+ ATOM 552 N GLN A 67 39.389 -1.929 12.711 1.00 97.86 N
553
+ ATOM 553 NE2 GLN A 67 39.867 3.546 13.176 1.00 97.86 N
554
+ ATOM 554 O GLN A 67 38.417 -1.483 9.361 1.00 97.86 O
555
+ ATOM 555 OE1 GLN A 67 41.098 2.751 11.470 1.00 97.86 O
556
+ ATOM 556 C GLU A 68 39.049 -4.319 8.709 1.00 98.38 C
557
+ ATOM 557 CA GLU A 68 40.274 -3.433 8.918 1.00 98.38 C
558
+ ATOM 558 CB GLU A 68 41.541 -4.289 8.963 1.00 98.38 C
559
+ ATOM 559 CD GLU A 68 44.048 -4.401 8.566 1.00 98.38 C
560
+ ATOM 560 CG GLU A 68 42.820 -3.512 8.684 1.00 98.38 C
561
+ ATOM 561 N GLU A 68 40.148 -2.638 10.136 1.00 98.38 N
562
+ ATOM 562 O GLU A 68 38.528 -4.413 7.595 1.00 98.38 O
563
+ ATOM 563 OE1 GLU A 68 45.131 -3.893 8.198 1.00 98.38 O
564
+ ATOM 564 OE2 GLU A 68 43.927 -5.614 8.844 1.00 98.38 O
565
+ ATOM 565 C PHE A 69 36.120 -4.839 9.299 1.00 98.49 C
566
+ ATOM 566 CA PHE A 69 37.291 -5.711 9.737 1.00 98.49 C
567
+ ATOM 567 CB PHE A 69 37.008 -6.315 11.116 1.00 98.49 C
568
+ ATOM 568 CD1 PHE A 69 34.637 -5.979 11.885 1.00 98.49 C
569
+ ATOM 569 CD2 PHE A 69 35.217 -8.060 10.860 1.00 98.49 C
570
+ ATOM 570 CE1 PHE A 69 33.326 -6.419 12.048 1.00 98.49 C
571
+ ATOM 571 CE2 PHE A 69 33.908 -8.507 11.019 1.00 98.49 C
572
+ ATOM 572 CG PHE A 69 35.593 -6.794 11.291 1.00 98.49 C
573
+ ATOM 573 CZ PHE A 69 32.965 -7.686 11.614 1.00 98.49 C
574
+ ATOM 574 N PHE A 69 38.529 -4.941 9.758 1.00 98.49 N
575
+ ATOM 575 O PHE A 69 35.381 -5.198 8.379 1.00 98.49 O
576
+ ATOM 576 C ALA A 70 34.960 -2.285 8.128 1.00 98.72 C
577
+ ATOM 577 CA ALA A 70 34.891 -2.792 9.566 1.00 98.72 C
578
+ ATOM 578 CB ALA A 70 34.885 -1.618 10.542 1.00 98.72 C
579
+ ATOM 579 N ALA A 70 36.003 -3.693 9.859 1.00 98.72 N
580
+ ATOM 580 O ALA A 70 33.930 -2.130 7.468 1.00 98.72 O
581
+ ATOM 581 C ALA A 71 35.810 -2.604 5.270 1.00 98.74 C
582
+ ATOM 582 CA ALA A 71 36.309 -1.573 6.278 1.00 98.74 C
583
+ ATOM 583 CB ALA A 71 37.783 -1.259 6.030 1.00 98.74 C
584
+ ATOM 584 N ALA A 71 36.113 -2.042 7.648 1.00 98.74 N
585
+ ATOM 585 O ALA A 71 35.126 -2.257 4.305 1.00 98.74 O
586
+ ATOM 586 C ASP A 72 34.075 -5.058 4.628 1.00 98.82 C
587
+ ATOM 587 CA ASP A 72 35.597 -4.934 4.608 1.00 98.82 C
588
+ ATOM 588 CB ASP A 72 36.238 -6.270 4.989 1.00 98.82 C
589
+ ATOM 589 CG ASP A 72 37.608 -6.470 4.363 1.00 98.82 C
590
+ ATOM 590 N ASP A 72 36.049 -3.876 5.506 1.00 98.82 N
591
+ ATOM 591 O ASP A 72 33.445 -5.192 3.577 1.00 98.82 O
592
+ ATOM 592 OD1 ASP A 72 38.005 -5.665 3.494 1.00 98.82 O
593
+ ATOM 593 OD2 ASP A 72 38.295 -7.443 4.741 1.00 98.82 O
594
+ ATOM 594 C VAL A 73 31.334 -3.883 5.256 1.00 98.81 C
595
+ ATOM 595 CA VAL A 73 31.979 -5.084 5.945 1.00 98.81 C
596
+ ATOM 596 CB VAL A 73 31.537 -5.150 7.424 1.00 98.81 C
597
+ ATOM 597 CG1 VAL A 73 30.013 -5.155 7.532 1.00 98.81 C
598
+ ATOM 598 CG2 VAL A 73 32.126 -6.384 8.103 1.00 98.81 C
599
+ ATOM 599 N VAL A 73 33.431 -5.003 5.824 1.00 98.81 N
600
+ ATOM 600 O VAL A 73 30.363 -4.035 4.512 1.00 98.81 O
601
+ ATOM 601 C ARG A 74 31.634 -1.506 3.283 1.00 98.66 C
602
+ ATOM 602 CA ARG A 74 31.392 -1.492 4.790 1.00 98.66 C
603
+ ATOM 603 CB ARG A 74 32.034 -0.251 5.411 1.00 98.66 C
604
+ ATOM 604 CD ARG A 74 32.324 1.199 7.451 1.00 98.66 C
605
+ ATOM 605 CG ARG A 74 31.539 0.060 6.815 1.00 98.66 C
606
+ ATOM 606 CZ ARG A 74 32.620 1.950 9.788 1.00 98.66 C
607
+ ATOM 607 N ARG A 74 31.910 -2.706 5.414 1.00 98.66 N
608
+ ATOM 608 NE ARG A 74 31.855 1.489 8.803 1.00 98.66 N
609
+ ATOM 609 NH1 ARG A 74 33.912 2.182 9.590 1.00 98.66 N
610
+ ATOM 610 NH2 ARG A 74 32.090 2.179 10.980 1.00 98.66 N
611
+ ATOM 611 O ARG A 74 30.814 -1.002 2.514 1.00 98.66 O
612
+ ATOM 612 C LEU A 75 31.873 -3.139 0.771 1.00 98.81 C
613
+ ATOM 613 CA LEU A 75 32.962 -2.287 1.415 1.00 98.81 C
614
+ ATOM 614 CB LEU A 75 34.329 -2.939 1.200 1.00 98.81 C
615
+ ATOM 615 CD1 LEU A 75 34.761 -1.987 -1.079 1.00 98.81 C
616
+ ATOM 616 CD2 LEU A 75 36.039 -4.000 -0.301 1.00 98.81 C
617
+ ATOM 617 CG LEU A 75 34.706 -3.264 -0.248 1.00 98.81 C
618
+ ATOM 618 N LEU A 75 32.702 -2.101 2.838 1.00 98.81 N
619
+ ATOM 619 O LEU A 75 31.420 -2.842 -0.337 1.00 98.81 O
620
+ ATOM 620 C MET A 76 29.105 -4.199 0.699 1.00 98.72 C
621
+ ATOM 621 CA MET A 76 30.366 -5.016 0.956 1.00 98.72 C
622
+ ATOM 622 CB MET A 76 30.075 -6.122 1.971 1.00 98.72 C
623
+ ATOM 623 CE MET A 76 27.729 -7.237 4.027 1.00 98.72 C
624
+ ATOM 624 CG MET A 76 28.986 -7.088 1.531 1.00 98.72 C
625
+ ATOM 625 N MET A 76 31.453 -4.163 1.424 1.00 98.72 N
626
+ ATOM 626 O MET A 76 28.497 -4.305 -0.369 1.00 98.72 O
627
+ ATOM 627 SD MET A 76 28.565 -8.313 2.830 1.00 98.72 S
628
+ ATOM 628 C PHE A 77 27.758 -1.466 0.336 1.00 98.71 C
629
+ ATOM 629 CA PHE A 77 27.539 -2.497 1.437 1.00 98.71 C
630
+ ATOM 630 CB PHE A 77 27.188 -1.796 2.752 1.00 98.71 C
631
+ ATOM 631 CD1 PHE A 77 25.960 -3.761 3.730 1.00 98.71 C
632
+ ATOM 632 CD2 PHE A 77 27.542 -2.610 5.104 1.00 98.71 C
633
+ ATOM 633 CE1 PHE A 77 25.682 -4.639 4.776 1.00 98.71 C
634
+ ATOM 634 CE2 PHE A 77 27.269 -3.482 6.154 1.00 98.71 C
635
+ ATOM 635 CG PHE A 77 26.891 -2.741 3.884 1.00 98.71 C
636
+ ATOM 636 CZ PHE A 77 26.339 -4.495 5.989 1.00 98.71 C
637
+ ATOM 637 N PHE A 77 28.720 -3.336 1.602 1.00 98.71 N
638
+ ATOM 638 O PHE A 77 26.874 -1.236 -0.491 1.00 98.71 O
639
+ ATOM 639 C SER A 78 29.160 -0.485 -2.109 1.00 98.73 C
640
+ ATOM 640 CA SER A 78 29.257 0.118 -0.712 1.00 98.73 C
641
+ ATOM 641 CB SER A 78 30.660 0.684 -0.489 1.00 98.73 C
642
+ ATOM 642 N SER A 78 28.934 -0.868 0.314 1.00 98.73 N
643
+ ATOM 643 O SER A 78 28.620 0.140 -3.024 1.00 98.73 O
644
+ ATOM 644 OG SER A 78 30.991 1.624 -1.497 1.00 98.73 O
645
+ ATOM 645 C ASN A 79 28.057 -2.617 -3.951 1.00 98.64 C
646
+ ATOM 646 CA ASN A 79 29.521 -2.414 -3.572 1.00 98.64 C
647
+ ATOM 647 CB ASN A 79 30.245 -3.761 -3.504 1.00 98.64 C
648
+ ATOM 648 CG ASN A 79 31.753 -3.617 -3.565 1.00 98.64 C
649
+ ATOM 649 N ASN A 79 29.653 -1.698 -2.307 1.00 98.64 N
650
+ ATOM 650 ND2 ASN A 79 32.464 -4.665 -3.168 1.00 98.64 N
651
+ ATOM 651 O ASN A 79 27.672 -2.391 -5.099 1.00 98.64 O
652
+ ATOM 652 OD1 ASN A 79 32.273 -2.572 -3.964 1.00 98.64 O
653
+ ATOM 653 C CYS A 80 25.170 -1.905 -3.739 1.00 98.60 C
654
+ ATOM 654 CA CYS A 80 25.814 -3.192 -3.235 1.00 98.60 C
655
+ ATOM 655 CB CYS A 80 25.123 -3.650 -1.952 1.00 98.60 C
656
+ ATOM 656 N CYS A 80 27.243 -3.006 -3.010 1.00 98.60 N
657
+ ATOM 657 O CYS A 80 24.441 -1.918 -4.733 1.00 98.60 O
658
+ ATOM 658 SG CYS A 80 23.341 -3.885 -2.128 1.00 98.60 S
659
+ ATOM 659 C TYR A 81 25.430 1.027 -4.818 1.00 98.68 C
660
+ ATOM 660 CA TYR A 81 24.895 0.512 -3.487 1.00 98.68 C
661
+ ATOM 661 CB TYR A 81 25.169 1.537 -2.382 1.00 98.68 C
662
+ ATOM 662 CD1 TYR A 81 23.491 0.383 -0.888 1.00 98.68 C
663
+ ATOM 663 CD2 TYR A 81 25.377 1.438 0.130 1.00 98.68 C
664
+ ATOM 664 CE1 TYR A 81 23.027 -0.009 0.364 1.00 98.68 C
665
+ ATOM 665 CE2 TYR A 81 24.923 1.050 1.386 1.00 98.68 C
666
+ ATOM 666 CG TYR A 81 24.671 1.112 -1.022 1.00 98.68 C
667
+ ATOM 667 CZ TYR A 81 23.749 0.327 1.492 1.00 98.68 C
668
+ ATOM 668 N TYR A 81 25.489 -0.777 -3.150 1.00 98.68 N
669
+ ATOM 669 O TYR A 81 24.730 1.739 -5.541 1.00 98.68 O
670
+ ATOM 670 OH TYR A 81 23.293 -0.057 2.734 1.00 98.68 O
671
+ ATOM 671 C LYS A 82 26.701 0.414 -7.525 1.00 98.46 C
672
+ ATOM 672 CA LYS A 82 27.273 1.145 -6.314 1.00 98.46 C
673
+ ATOM 673 CB LYS A 82 28.785 0.925 -6.236 1.00 98.46 C
674
+ ATOM 674 CD LYS A 82 31.050 1.238 -7.288 1.00 98.46 C
675
+ ATOM 675 CE LYS A 82 31.814 1.727 -8.511 1.00 98.46 C
676
+ ATOM 676 CG LYS A 82 29.548 1.432 -7.450 1.00 98.46 C
677
+ ATOM 677 N LYS A 82 26.627 0.706 -5.081 1.00 98.46 N
678
+ ATOM 678 NZ LYS A 82 33.286 1.527 -8.361 1.00 98.46 N
679
+ ATOM 679 O LYS A 82 26.505 1.015 -8.584 1.00 98.46 O
680
+ ATOM 680 C TYR A 83 24.499 -1.627 -8.753 1.00 98.35 C
681
+ ATOM 681 CA TYR A 83 26.005 -1.679 -8.521 1.00 98.35 C
682
+ ATOM 682 CB TYR A 83 26.451 -3.130 -8.314 1.00 98.35 C
683
+ ATOM 683 CD1 TYR A 83 25.138 -4.851 -9.617 1.00 98.35 C
684
+ ATOM 684 CD2 TYR A 83 27.150 -3.994 -10.579 1.00 98.35 C
685
+ ATOM 685 CE1 TYR A 83 24.943 -5.663 -10.730 1.00 98.35 C
686
+ ATOM 686 CE2 TYR A 83 26.966 -4.801 -11.697 1.00 98.35 C
687
+ ATOM 687 CG TYR A 83 26.243 -4.007 -9.525 1.00 98.35 C
688
+ ATOM 688 CZ TYR A 83 25.860 -5.631 -11.763 1.00 98.35 C
689
+ ATOM 689 N TYR A 83 26.386 -0.858 -7.377 1.00 98.35 N
690
+ ATOM 690 O TYR A 83 24.035 -1.734 -9.890 1.00 98.35 O
691
+ ATOM 691 OH TYR A 83 25.673 -6.432 -12.867 1.00 98.35 O
692
+ ATOM 692 C ASN A 84 21.572 -0.202 -7.712 1.00 98.10 C
693
+ ATOM 693 CA ASN A 84 22.241 -1.570 -7.809 1.00 98.10 C
694
+ ATOM 694 CB ASN A 84 21.700 -2.504 -6.724 1.00 98.10 C
695
+ ATOM 695 CG ASN A 84 22.292 -3.897 -6.804 1.00 98.10 C
696
+ ATOM 696 N ASN A 84 23.693 -1.464 -7.716 1.00 98.10 N
697
+ ATOM 697 ND2 ASN A 84 23.302 -4.160 -5.985 1.00 98.10 N
698
+ ATOM 698 O ASN A 84 21.993 0.646 -6.923 1.00 98.10 O
699
+ ATOM 699 OD1 ASN A 84 21.844 -4.731 -7.596 1.00 98.10 O
700
+ ATOM 700 C PRO A 85 19.093 1.362 -6.910 1.00 98.12 C
701
+ ATOM 701 CA PRO A 85 19.715 1.261 -8.301 1.00 98.12 C
702
+ ATOM 702 CB PRO A 85 18.631 1.170 -9.378 1.00 98.12 C
703
+ ATOM 703 CD PRO A 85 19.769 -0.980 -9.380 1.00 98.12 C
704
+ ATOM 704 CG PRO A 85 18.454 -0.295 -9.620 1.00 98.12 C
705
+ ATOM 705 N PRO A 85 20.482 0.028 -8.490 1.00 98.12 N
706
+ ATOM 706 O PRO A 85 18.830 0.339 -6.272 1.00 98.12 O
707
+ ATOM 707 C PRO A 86 17.083 2.117 -4.727 1.00 97.72 C
708
+ ATOM 708 CA PRO A 86 18.403 2.805 -5.068 1.00 97.72 C
709
+ ATOM 709 CB PRO A 86 18.264 4.327 -4.972 1.00 97.72 C
710
+ ATOM 710 CD PRO A 86 19.180 3.868 -7.178 1.00 97.72 C
711
+ ATOM 711 CG PRO A 86 19.152 4.860 -6.050 1.00 97.72 C
712
+ ATOM 712 N PRO A 86 18.811 2.590 -6.458 1.00 97.72 N
713
+ ATOM 713 O PRO A 86 16.830 1.804 -3.561 1.00 97.72 O
714
+ ATOM 714 C ASP A 87 14.927 -0.223 -5.612 1.00 98.07 C
715
+ ATOM 715 CA ASP A 87 14.909 1.296 -5.457 1.00 98.07 C
716
+ ATOM 716 CB ASP A 87 13.885 1.910 -6.414 1.00 98.07 C
717
+ ATOM 717 CG ASP A 87 14.236 1.694 -7.875 1.00 98.07 C
718
+ ATOM 718 N ASP A 87 16.234 1.863 -5.690 1.00 98.07 N
719
+ ATOM 719 O ASP A 87 13.890 -0.878 -5.489 1.00 98.07 O
720
+ ATOM 720 OD1 ASP A 87 15.430 1.509 -8.195 1.00 98.07 O
721
+ ATOM 721 OD2 ASP A 87 13.311 1.710 -8.715 1.00 98.07 O
722
+ ATOM 722 C HIS A 88 16.026 -2.952 -4.574 1.00 97.85 C
723
+ ATOM 723 CA HIS A 88 16.209 -2.262 -5.920 1.00 97.85 C
724
+ ATOM 724 CB HIS A 88 17.575 -2.616 -6.511 1.00 97.85 C
725
+ ATOM 725 CD2 HIS A 88 17.535 -4.549 -8.240 1.00 97.85 C
726
+ ATOM 726 CE1 HIS A 88 17.955 -6.205 -6.865 1.00 97.85 C
727
+ ATOM 727 CG HIS A 88 17.670 -4.027 -6.999 1.00 97.85 C
728
+ ATOM 728 N HIS A 88 16.066 -0.816 -5.795 1.00 97.85 N
729
+ ATOM 729 ND1 HIS A 88 17.932 -5.088 -6.158 1.00 97.85 N
730
+ ATOM 730 NE2 HIS A 88 17.717 -5.906 -8.131 1.00 97.85 N
731
+ ATOM 731 O HIS A 88 16.526 -2.472 -3.552 1.00 97.85 O
732
+ ATOM 732 C ASP A 89 16.420 -5.179 -2.505 1.00 98.05 C
733
+ ATOM 733 CA ASP A 89 15.155 -4.875 -3.304 1.00 98.05 C
734
+ ATOM 734 CB ASP A 89 14.416 -6.174 -3.635 1.00 98.05 C
735
+ ATOM 735 CG ASP A 89 12.975 -5.945 -4.056 1.00 98.05 C
736
+ ATOM 736 N ASP A 89 15.470 -4.140 -4.526 1.00 98.05 N
737
+ ATOM 737 O ASP A 89 16.437 -5.032 -1.282 1.00 98.05 O
738
+ ATOM 738 OD1 ASP A 89 12.403 -4.884 -3.723 1.00 98.05 O
739
+ ATOM 739 OD2 ASP A 89 12.406 -6.834 -4.725 1.00 98.05 O
740
+ ATOM 740 C VAL A 90 19.324 -4.700 -1.785 1.00 98.27 C
741
+ ATOM 741 CA VAL A 90 18.724 -5.910 -2.499 1.00 98.27 C
742
+ ATOM 742 CB VAL A 90 19.750 -6.508 -3.488 1.00 98.27 C
743
+ ATOM 743 CG1 VAL A 90 21.017 -5.658 -3.530 1.00 98.27 C
744
+ ATOM 744 CG2 VAL A 90 20.081 -7.949 -3.104 1.00 98.27 C
745
+ ATOM 745 N VAL A 90 17.490 -5.522 -3.175 1.00 98.27 N
746
+ ATOM 746 O VAL A 90 20.015 -4.847 -0.775 1.00 98.27 O
747
+ ATOM 747 C VAL A 91 18.739 -2.083 -0.301 1.00 98.56 C
748
+ ATOM 748 CA VAL A 91 19.490 -2.277 -1.617 1.00 98.56 C
749
+ ATOM 749 CB VAL A 91 19.302 -1.041 -2.525 1.00 98.56 C
750
+ ATOM 750 CG1 VAL A 91 19.572 0.246 -1.748 1.00 98.56 C
751
+ ATOM 751 CG2 VAL A 91 20.217 -1.133 -3.745 1.00 98.56 C
752
+ ATOM 752 N VAL A 91 19.032 -3.499 -2.271 1.00 98.56 N
753
+ ATOM 753 O VAL A 91 19.341 -1.739 0.720 1.00 98.56 O
754
+ ATOM 754 C ALA A 92 17.194 -3.295 1.939 1.00 98.55 C
755
+ ATOM 755 CA ALA A 92 16.698 -2.264 0.930 1.00 98.55 C
756
+ ATOM 756 CB ALA A 92 15.216 -2.482 0.636 1.00 98.55 C
757
+ ATOM 757 N ALA A 92 17.476 -2.322 -0.305 1.00 98.55 N
758
+ ATOM 758 O ALA A 92 17.317 -2.998 3.130 1.00 98.55 O
759
+ ATOM 759 C MET A 93 19.418 -5.092 2.876 1.00 98.60 C
760
+ ATOM 760 CA MET A 93 18.058 -5.493 2.316 1.00 98.60 C
761
+ ATOM 761 CB MET A 93 18.185 -6.793 1.518 1.00 98.60 C
762
+ ATOM 762 CE MET A 93 15.299 -9.386 -0.099 1.00 98.60 C
763
+ ATOM 763 CG MET A 93 16.849 -7.419 1.152 1.00 98.60 C
764
+ ATOM 764 N MET A 93 17.504 -4.430 1.482 1.00 98.60 N
765
+ ATOM 765 O MET A 93 19.676 -5.258 4.070 1.00 98.60 O
766
+ ATOM 766 SD MET A 93 17.040 -8.987 0.218 1.00 98.60 S
767
+ ATOM 767 C ALA A 94 21.447 -2.970 3.602 1.00 98.74 C
768
+ ATOM 768 CA ALA A 94 21.581 -4.019 2.503 1.00 98.74 C
769
+ ATOM 769 CB ALA A 94 22.342 -3.444 1.311 1.00 98.74 C
770
+ ATOM 770 N ALA A 94 20.271 -4.510 2.083 1.00 98.74 N
771
+ ATOM 771 O ALA A 94 22.152 -3.025 4.612 1.00 98.74 O
772
+ ATOM 772 C ARG A 95 19.961 -1.581 5.797 1.00 98.60 C
773
+ ATOM 773 CA ARG A 95 20.354 -0.998 4.444 1.00 98.60 C
774
+ ATOM 774 CB ARG A 95 19.281 -0.019 3.963 1.00 98.60 C
775
+ ATOM 775 CD ARG A 95 18.625 1.821 2.374 1.00 98.60 C
776
+ ATOM 776 CG ARG A 95 19.723 0.858 2.803 1.00 98.60 C
777
+ ATOM 777 CZ ARG A 95 18.684 3.908 1.050 1.00 98.60 C
778
+ ATOM 778 N ARG A 95 20.564 -2.055 3.459 1.00 98.60 N
779
+ ATOM 779 NE ARG A 95 19.039 2.641 1.240 1.00 98.60 N
780
+ ATOM 780 NH1 ARG A 95 17.895 4.530 1.920 1.00 98.60 N
781
+ ATOM 781 NH2 ARG A 95 19.119 4.561 -0.019 1.00 98.60 N
782
+ ATOM 782 O ARG A 95 20.524 -1.208 6.828 1.00 98.60 O
783
+ ATOM 783 C LYS A 96 19.827 -3.844 7.726 1.00 98.50 C
784
+ ATOM 784 CA LYS A 96 18.661 -3.141 7.037 1.00 98.50 C
785
+ ATOM 785 CB LYS A 96 17.535 -4.139 6.764 1.00 98.50 C
786
+ ATOM 786 CD LYS A 96 15.063 -4.587 6.619 1.00 98.50 C
787
+ ATOM 787 CE LYS A 96 13.665 -4.001 6.773 1.00 98.50 C
788
+ ATOM 788 CG LYS A 96 16.139 -3.564 6.957 1.00 98.50 C
789
+ ATOM 789 N LYS A 96 19.091 -2.502 5.796 1.00 98.50 N
790
+ ATOM 790 NZ LYS A 96 12.606 -4.997 6.433 1.00 98.50 N
791
+ ATOM 791 O LYS A 96 19.997 -3.730 8.941 1.00 98.50 O
792
+ ATOM 792 C LEU A 97 22.841 -4.347 7.994 1.00 98.79 C
793
+ ATOM 793 CA LEU A 97 21.754 -5.314 7.534 1.00 98.79 C
794
+ ATOM 794 CB LEU A 97 22.330 -6.297 6.511 1.00 98.79 C
795
+ ATOM 795 CD1 LEU A 97 22.725 -8.190 8.106 1.00 98.79 C
796
+ ATOM 796 CD2 LEU A 97 23.912 -8.145 5.895 1.00 98.79 C
797
+ ATOM 797 CG LEU A 97 23.355 -7.302 7.037 1.00 98.79 C
798
+ ATOM 798 N LEU A 97 20.620 -4.592 6.969 1.00 98.79 N
799
+ ATOM 799 O LEU A 97 23.494 -4.579 9.014 1.00 98.79 O
800
+ ATOM 800 C GLN A 98 23.602 -1.585 9.020 1.00 98.77 C
801
+ ATOM 801 CA GLN A 98 23.990 -2.222 7.690 1.00 98.77 C
802
+ ATOM 802 CB GLN A 98 24.086 -1.150 6.602 1.00 98.77 C
803
+ ATOM 803 CD GLN A 98 25.272 0.917 5.750 1.00 98.77 C
804
+ ATOM 804 CG GLN A 98 25.122 -0.073 6.890 1.00 98.77 C
805
+ ATOM 805 N GLN A 98 23.037 -3.258 7.305 1.00 98.77 N
806
+ ATOM 806 NE2 GLN A 98 26.177 1.876 5.913 1.00 98.77 N
807
+ ATOM 807 O GLN A 98 24.465 -1.306 9.856 1.00 98.77 O
808
+ ATOM 808 OE1 GLN A 98 24.580 0.820 4.731 1.00 98.77 O
809
+ ATOM 809 C ASP A 99 22.286 -1.678 11.633 1.00 98.70 C
810
+ ATOM 810 CA ASP A 99 21.887 -0.779 10.466 1.00 98.70 C
811
+ ATOM 811 CB ASP A 99 20.370 -0.588 10.444 1.00 98.70 C
812
+ ATOM 812 CG ASP A 99 19.928 0.552 9.542 1.00 98.70 C
813
+ ATOM 813 N ASP A 99 22.353 -1.328 9.197 1.00 98.70 N
814
+ ATOM 814 O ASP A 99 22.766 -1.194 12.661 1.00 98.70 O
815
+ ATOM 815 OD1 ASP A 99 20.764 1.413 9.194 1.00 98.70 O
816
+ ATOM 816 OD2 ASP A 99 18.733 0.590 9.179 1.00 98.70 O
817
+ ATOM 817 C VAL A 100 23.988 -3.840 12.758 1.00 98.48 C
818
+ ATOM 818 CA VAL A 100 22.482 -3.913 12.513 1.00 98.48 C
819
+ ATOM 819 CB VAL A 100 22.078 -5.348 12.107 1.00 98.48 C
820
+ ATOM 820 CG1 VAL A 100 22.592 -6.362 13.127 1.00 98.48 C
821
+ ATOM 821 CG2 VAL A 100 20.561 -5.453 11.962 1.00 98.48 C
822
+ ATOM 822 N VAL A 100 22.099 -2.940 11.495 1.00 98.48 N
823
+ ATOM 823 O VAL A 100 24.435 -3.800 13.907 1.00 98.48 O
824
+ ATOM 824 C PHE A 101 26.673 -2.456 12.511 1.00 98.62 C
825
+ ATOM 825 CA PHE A 101 26.228 -3.723 11.787 1.00 98.62 C
826
+ ATOM 826 CB PHE A 101 26.864 -3.781 10.395 1.00 98.62 C
827
+ ATOM 827 CD1 PHE A 101 28.790 -2.250 9.872 1.00 98.62 C
828
+ ATOM 828 CD2 PHE A 101 29.259 -4.364 10.885 1.00 98.62 C
829
+ ATOM 829 CE1 PHE A 101 30.150 -1.948 9.860 1.00 98.62 C
830
+ ATOM 830 CE2 PHE A 101 30.619 -4.070 10.875 1.00 98.62 C
831
+ ATOM 831 CG PHE A 101 28.333 -3.458 10.383 1.00 98.62 C
832
+ ATOM 832 CZ PHE A 101 31.062 -2.862 10.363 1.00 98.62 C
833
+ ATOM 833 N PHE A 101 24.775 -3.782 11.692 1.00 98.62 N
834
+ ATOM 834 O PHE A 101 27.403 -2.526 13.502 1.00 98.62 O
835
+ ATOM 835 C GLU A 102 26.178 0.098 14.061 1.00 98.57 C
836
+ ATOM 836 CA GLU A 102 26.595 -0.042 12.600 1.00 98.57 C
837
+ ATOM 837 CB GLU A 102 26.030 1.119 11.779 1.00 98.57 C
838
+ ATOM 838 CD GLU A 102 28.046 1.363 10.251 1.00 98.57 C
839
+ ATOM 839 CG GLU A 102 26.541 1.163 10.346 1.00 98.57 C
840
+ ATOM 840 N GLU A 102 26.159 -1.321 12.047 1.00 98.57 N
841
+ ATOM 841 O GLU A 102 26.950 0.588 14.888 1.00 98.57 O
842
+ ATOM 842 OE1 GLU A 102 28.619 1.152 9.158 1.00 98.57 O
843
+ ATOM 843 OE2 GLU A 102 28.657 1.731 11.279 1.00 98.57 O
844
+ ATOM 844 C PHE A 103 25.507 -1.143 16.692 1.00 98.27 C
845
+ ATOM 845 CA PHE A 103 24.606 -0.303 15.795 1.00 98.27 C
846
+ ATOM 846 CB PHE A 103 23.163 -0.809 15.876 1.00 98.27 C
847
+ ATOM 847 CD1 PHE A 103 22.625 -2.029 18.010 1.00 98.27 C
848
+ ATOM 848 CD2 PHE A 103 22.078 0.295 17.857 1.00 98.27 C
849
+ ATOM 849 CE1 PHE A 103 22.116 -2.068 19.306 1.00 98.27 C
850
+ ATOM 850 CE2 PHE A 103 21.567 0.263 19.151 1.00 98.27 C
851
+ ATOM 851 CG PHE A 103 22.611 -0.849 17.275 1.00 98.27 C
852
+ ATOM 852 CZ PHE A 103 21.586 -0.919 19.873 1.00 98.27 C
853
+ ATOM 853 N PHE A 103 25.081 -0.326 14.417 1.00 98.27 N
854
+ ATOM 854 O PHE A 103 25.881 -0.712 17.784 1.00 98.27 O
855
+ ATOM 855 C ARG A 104 28.181 -2.708 17.109 1.00 97.59 C
856
+ ATOM 856 CA ARG A 104 26.757 -3.251 17.045 1.00 97.59 C
857
+ ATOM 857 CB ARG A 104 26.758 -4.656 16.440 1.00 97.59 C
858
+ ATOM 858 CD ARG A 104 25.054 -5.689 17.980 1.00 97.59 C
859
+ ATOM 859 CG ARG A 104 25.419 -5.369 16.537 1.00 97.59 C
860
+ ATOM 860 CZ ARG A 104 23.430 -7.123 19.173 1.00 97.59 C
861
+ ATOM 861 N ARG A 104 25.891 -2.361 16.278 1.00 97.59 N
862
+ ATOM 862 NE ARG A 104 23.873 -6.544 18.060 1.00 97.59 N
863
+ ATOM 863 NH1 ARG A 104 24.065 -6.948 20.327 1.00 97.59 N
864
+ ATOM 864 NH2 ARG A 104 22.344 -7.881 19.133 1.00 97.59 N
865
+ ATOM 865 O ARG A 104 28.829 -2.773 18.156 1.00 97.59 O
866
+ ATOM 866 C TYR A 105 30.226 -0.430 16.806 1.00 97.98 C
867
+ ATOM 867 CA TYR A 105 30.048 -1.663 15.927 1.00 97.98 C
868
+ ATOM 868 CB TYR A 105 30.399 -1.323 14.475 1.00 97.98 C
869
+ ATOM 869 CD1 TYR A 105 32.376 0.221 14.174 1.00 97.98 C
870
+ ATOM 870 CD2 TYR A 105 32.759 -2.135 14.108 1.00 97.98 C
871
+ ATOM 871 CE1 TYR A 105 33.731 0.455 13.963 1.00 97.98 C
872
+ ATOM 872 CE2 TYR A 105 34.116 -1.914 13.897 1.00 97.98 C
873
+ ATOM 873 CG TYR A 105 31.871 -1.075 14.249 1.00 97.98 C
874
+ ATOM 874 CZ TYR A 105 34.592 -0.618 13.827 1.00 97.98 C
875
+ ATOM 875 N TYR A 105 28.686 -2.175 16.017 1.00 97.98 N
876
+ ATOM 876 O TYR A 105 31.269 -0.261 17.444 1.00 97.98 O
877
+ ATOM 877 OH TYR A 105 35.934 -0.394 13.618 1.00 97.98 O
878
+ ATOM 878 C ALA A 106 29.362 1.318 19.224 1.00 97.61 C
879
+ ATOM 879 CA ALA A 106 29.255 1.651 17.738 1.00 97.61 C
880
+ ATOM 880 CB ALA A 106 28.012 2.496 17.474 1.00 97.61 C
881
+ ATOM 881 N ALA A 106 29.227 0.435 16.929 1.00 97.61 N
882
+ ATOM 882 O ALA A 106 29.732 2.172 20.032 1.00 97.61 O
883
+ ATOM 883 C LYS A 107 30.346 -1.030 21.413 1.00 95.90 C
884
+ ATOM 884 CA LYS A 107 29.057 -0.297 21.057 1.00 95.90 C
885
+ ATOM 885 CB LYS A 107 27.850 -1.191 21.341 1.00 95.90 C
886
+ ATOM 886 CD LYS A 107 25.355 -1.397 21.609 1.00 95.90 C
887
+ ATOM 887 CE LYS A 107 24.019 -0.667 21.570 1.00 95.90 C
888
+ ATOM 888 CG LYS A 107 26.514 -0.464 21.284 1.00 95.90 C
889
+ ATOM 889 N LYS A 107 29.062 0.129 19.660 1.00 95.90 N
890
+ ATOM 890 NZ LYS A 107 22.878 -1.583 21.866 1.00 95.90 N
891
+ ATOM 891 O LYS A 107 30.473 -1.578 22.511 1.00 95.90 O
892
+ ATOM 892 C MET A 108 33.265 -0.982 21.872 1.00 94.70 C
893
+ ATOM 893 CA MET A 108 32.530 -1.694 20.740 1.00 94.70 C
894
+ ATOM 894 CB MET A 108 33.402 -1.717 19.484 1.00 94.70 C
895
+ ATOM 895 CE MET A 108 35.966 -2.208 18.208 1.00 94.70 C
896
+ ATOM 896 CG MET A 108 33.339 -3.029 18.718 1.00 94.70 C
897
+ ATOM 897 N MET A 108 31.249 -1.048 20.465 1.00 94.70 N
898
+ ATOM 898 O MET A 108 33.268 0.247 21.940 1.00 94.70 O
899
+ ATOM 899 SD MET A 108 34.629 -3.147 17.418 1.00 94.70 S
900
+ ATOM 900 C PRO A 109 35.854 -0.283 23.483 1.00 90.06 C
901
+ ATOM 901 CA PRO A 109 34.605 -1.040 23.926 1.00 90.06 C
902
+ ATOM 902 CB PRO A 109 34.975 -2.235 24.808 1.00 90.06 C
903
+ ATOM 903 CD PRO A 109 33.987 -3.132 22.774 1.00 90.06 C
904
+ ATOM 904 CG PRO A 109 34.959 -3.410 23.884 1.00 90.06 C
905
+ ATOM 905 N PRO A 109 33.887 -1.654 22.807 1.00 90.06 N
906
+ ATOM 906 O PRO A 109 36.439 -0.605 22.445 1.00 90.06 O
907
+ TER 907 PRO A 109
908
+ END
6e6j/6e6j_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,908 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C HIS A 1 42.085 -6.696 20.130 1.00 85.94 C
2
+ ATOM 2 CA HIS A 1 42.821 -5.362 20.190 1.00 83.85 C
3
+ ATOM 3 CB HIS A 1 44.140 -5.455 19.420 1.00 78.17 C
4
+ ATOM 4 CD2 HIS A 1 45.891 -3.542 19.510 1.00 60.47 C
5
+ ATOM 5 CE1 HIS A 1 44.891 -2.140 18.154 1.00 54.17 C
6
+ ATOM 6 CG HIS A 1 44.740 -4.124 19.096 1.00 68.01 C
7
+ ATOM 7 N HIS A 1 43.062 -4.955 21.569 1.00 82.71 N
8
+ ATOM 8 ND1 HIS A 1 44.135 -3.221 18.249 1.00 59.93 N
9
+ ATOM 9 NE2 HIS A 1 45.963 -2.309 18.910 1.00 55.01 N
10
+ ATOM 10 O HIS A 1 41.140 -6.854 19.353 1.00 83.00 O
11
+ ATOM 11 C MET A 2 40.439 -8.934 21.345 1.00 89.02 C
12
+ ATOM 12 CA MET A 2 41.908 -8.994 20.939 1.00 87.89 C
13
+ ATOM 13 CB MET A 2 42.666 -9.953 21.858 1.00 83.52 C
14
+ ATOM 14 CE MET A 2 43.525 -12.271 23.987 1.00 57.34 C
15
+ ATOM 15 CG MET A 2 42.391 -11.421 21.574 1.00 71.03 C
16
+ ATOM 16 N MET A 2 42.512 -7.665 20.971 1.00 87.05 N
17
+ ATOM 17 O MET A 2 39.597 -9.609 20.749 1.00 87.73 O
18
+ ATOM 18 SD MET A 2 43.720 -12.519 22.200 1.00 63.04 S
19
+ ATOM 19 C GLU A 3 37.861 -7.328 21.676 1.00 92.65 C
20
+ ATOM 20 CA GLU A 3 38.713 -7.946 22.781 1.00 91.66 C
21
+ ATOM 21 CB GLU A 3 38.625 -7.097 24.051 1.00 88.75 C
22
+ ATOM 22 CD GLU A 3 38.146 -9.006 25.657 1.00 69.23 C
23
+ ATOM 23 CG GLU A 3 39.050 -7.832 25.314 1.00 74.69 C
24
+ ATOM 24 N GLU A 3 40.103 -8.092 22.358 1.00 91.43 N
25
+ ATOM 25 O GLU A 3 36.709 -7.718 21.483 1.00 91.98 O
26
+ ATOM 26 OE1 GLU A 3 36.914 -8.901 25.463 1.00 64.41 O
27
+ ATOM 27 OE2 GLU A 3 38.675 -10.039 26.127 1.00 61.53 O
28
+ ATOM 28 C GLN A 4 37.408 -6.784 18.764 1.00 94.54 C
29
+ ATOM 29 CA GLN A 4 37.684 -5.779 19.879 1.00 94.22 C
30
+ ATOM 30 CB GLN A 4 38.481 -4.594 19.332 1.00 93.12 C
31
+ ATOM 31 CD GLN A 4 39.414 -2.278 19.751 1.00 83.60 C
32
+ ATOM 32 CG GLN A 4 38.583 -3.423 20.300 1.00 87.89 C
33
+ ATOM 33 N GLN A 4 38.396 -6.408 20.987 1.00 93.90 N
34
+ ATOM 34 NE2 GLN A 4 39.139 -1.067 20.223 1.00 79.23 N
35
+ ATOM 35 O GLN A 4 36.307 -6.816 18.208 1.00 94.23 O
36
+ ATOM 36 OE1 GLN A 4 40.295 -2.481 18.910 1.00 81.30 O
37
+ ATOM 37 C LEU A 5 37.229 -9.677 17.750 1.00 94.47 C
38
+ ATOM 38 CA LEU A 5 38.203 -8.583 17.324 1.00 94.56 C
39
+ ATOM 39 CB LEU A 5 39.539 -9.205 16.909 1.00 93.90 C
40
+ ATOM 40 CD1 LEU A 5 41.817 -9.012 15.879 1.00 88.22 C
41
+ ATOM 41 CD2 LEU A 5 39.842 -7.940 14.762 1.00 87.94 C
42
+ ATOM 42 CG LEU A 5 40.479 -8.314 16.097 1.00 92.05 C
43
+ ATOM 43 N LEU A 5 38.401 -7.616 18.400 1.00 94.38 N
44
+ ATOM 44 O LEU A 5 36.512 -10.233 16.915 1.00 93.94 O
45
+ ATOM 45 C LYS A 6 34.795 -10.324 19.348 1.00 94.58 C
46
+ ATOM 46 CA LYS A 6 36.188 -10.918 19.542 1.00 94.26 C
47
+ ATOM 47 CB LYS A 6 36.423 -11.233 21.019 1.00 93.01 C
48
+ ATOM 48 CD LYS A 6 37.694 -12.544 22.752 1.00 76.35 C
49
+ ATOM 49 CE LYS A 6 38.876 -13.468 23.013 1.00 67.31 C
50
+ ATOM 50 CG LYS A 6 37.552 -12.222 21.270 1.00 82.64 C
51
+ ATOM 51 N LYS A 6 37.219 -10.015 19.040 1.00 94.23 N
52
+ ATOM 52 NZ LYS A 6 39.098 -13.684 24.475 1.00 58.19 N
53
+ ATOM 53 O LYS A 6 33.862 -11.031 18.965 1.00 94.22 O
54
+ ATOM 54 C HIS A 7 33.060 -8.399 17.910 1.00 95.36 C
55
+ ATOM 55 CA HIS A 7 33.430 -8.334 19.389 1.00 95.15 C
56
+ ATOM 56 CB HIS A 7 33.526 -6.877 19.842 1.00 94.55 C
57
+ ATOM 57 CD2 HIS A 7 31.872 -5.286 18.632 1.00 86.51 C
58
+ ATOM 58 CE1 HIS A 7 30.252 -5.339 20.110 1.00 85.99 C
59
+ ATOM 59 CG HIS A 7 32.264 -6.101 19.641 1.00 92.07 C
60
+ ATOM 60 N HIS A 7 34.683 -9.035 19.649 1.00 94.96 N
61
+ ATOM 61 ND1 HIS A 7 31.229 -6.113 20.551 1.00 85.04 N
62
+ ATOM 62 NE2 HIS A 7 30.618 -4.825 18.948 1.00 86.92 N
63
+ ATOM 63 O HIS A 7 31.912 -8.688 17.565 1.00 95.15 O
64
+ ATOM 64 C CYS A 8 33.296 -9.623 15.162 1.00 95.75 C
65
+ ATOM 65 CA CYS A 8 33.776 -8.237 15.572 1.00 95.82 C
66
+ ATOM 66 CB CYS A 8 35.066 -7.893 14.827 1.00 95.44 C
67
+ ATOM 67 N CYS A 8 33.982 -8.161 17.014 1.00 95.63 N
68
+ ATOM 68 O CYS A 8 32.399 -9.753 14.327 1.00 95.44 O
69
+ ATOM 69 SG CYS A 8 35.569 -6.167 15.002 1.00 94.31 S
70
+ ATOM 70 C ASN A 9 32.064 -12.233 15.869 1.00 95.74 C
71
+ ATOM 71 CA ASN A 9 33.514 -12.003 15.456 1.00 95.71 C
72
+ ATOM 72 CB ASN A 9 34.431 -13.014 16.150 1.00 94.99 C
73
+ ATOM 73 CG ASN A 9 34.218 -14.430 15.654 1.00 89.26 C
74
+ ATOM 74 N ASN A 9 33.944 -10.639 15.746 1.00 95.74 N
75
+ ATOM 75 ND2 ASN A 9 34.289 -15.394 16.565 1.00 75.07 N
76
+ ATOM 76 O ASN A 9 31.313 -12.910 15.165 1.00 95.41 O
77
+ ATOM 77 OD1 ASN A 9 33.992 -14.658 14.463 1.00 77.67 O
78
+ ATOM 78 C GLY A 10 29.343 -11.088 16.453 1.00 95.64 C
79
+ ATOM 79 CA GLY A 10 30.294 -11.758 17.428 1.00 95.47 C
80
+ ATOM 80 N GLY A 10 31.684 -11.690 17.007 1.00 95.45 N
81
+ ATOM 81 O GLY A 10 28.263 -11.613 16.172 1.00 95.39 O
82
+ ATOM 82 C ILE A 11 28.796 -10.101 13.699 1.00 96.41 C
83
+ ATOM 83 CA ILE A 11 28.954 -9.229 14.942 1.00 96.31 C
84
+ ATOM 84 CB ILE A 11 29.590 -7.872 14.569 1.00 96.11 C
85
+ ATOM 85 CD1 ILE A 11 30.363 -5.633 15.549 1.00 94.11 C
86
+ ATOM 86 CG1 ILE A 11 29.630 -6.946 15.790 1.00 95.51 C
87
+ ATOM 87 CG2 ILE A 11 28.828 -7.218 13.412 1.00 95.41 C
88
+ ATOM 88 N ILE A 11 29.750 -9.934 15.941 1.00 96.17 N
89
+ ATOM 89 O ILE A 11 27.691 -10.243 13.171 1.00 96.30 O
90
+ ATOM 90 C LEU A 12 28.943 -12.738 12.225 1.00 96.63 C
91
+ ATOM 91 CA LEU A 12 29.871 -11.543 12.033 1.00 96.70 C
92
+ ATOM 92 CB LEU A 12 31.286 -12.028 11.706 1.00 96.49 C
93
+ ATOM 93 CD1 LEU A 12 30.824 -12.334 9.261 1.00 93.54 C
94
+ ATOM 94 CD2 LEU A 12 32.881 -13.345 10.284 1.00 93.12 C
95
+ ATOM 95 CG LEU A 12 31.419 -12.974 10.512 1.00 95.60 C
96
+ ATOM 96 N LEU A 12 29.883 -10.698 13.222 1.00 96.72 N
97
+ ATOM 97 O LEU A 12 28.137 -13.051 11.346 1.00 96.34 O
98
+ ATOM 98 C LYS A 13 26.613 -14.098 13.696 1.00 95.94 C
99
+ ATOM 99 CA LYS A 13 28.076 -14.530 13.734 1.00 96.00 C
100
+ ATOM 100 CB LYS A 13 28.410 -15.129 15.101 1.00 95.40 C
101
+ ATOM 101 CD LYS A 13 29.997 -16.475 16.518 1.00 87.21 C
102
+ ATOM 102 CE LYS A 13 31.269 -17.311 16.535 1.00 80.03 C
103
+ ATOM 103 CG LYS A 13 29.705 -15.929 15.126 1.00 91.36 C
104
+ ATOM 104 N LYS A 13 28.963 -13.411 13.434 1.00 96.08 N
105
+ ATOM 105 NZ LYS A 13 31.603 -17.784 17.912 1.00 72.35 N
106
+ ATOM 106 O LYS A 13 25.753 -14.838 13.213 1.00 95.55 O
107
+ ATOM 107 C GLU A 14 24.586 -12.125 12.690 1.00 95.84 C
108
+ ATOM 108 CA GLU A 14 25.066 -12.390 14.114 1.00 95.84 C
109
+ ATOM 109 CB GLU A 14 24.945 -11.118 14.956 1.00 95.16 C
110
+ ATOM 110 CD GLU A 14 23.384 -9.418 16.019 1.00 86.56 C
111
+ ATOM 111 CG GLU A 14 23.532 -10.556 15.021 1.00 90.79 C
112
+ ATOM 112 N GLU A 14 26.440 -12.884 14.124 1.00 95.89 N
113
+ ATOM 113 O GLU A 14 23.462 -12.483 12.331 1.00 95.47 O
114
+ ATOM 114 OE1 GLU A 14 24.316 -9.190 16.822 1.00 83.63 O
115
+ ATOM 115 OE2 GLU A 14 22.327 -8.749 15.996 1.00 82.87 O
116
+ ATOM 116 C LEU A 15 24.738 -12.506 9.684 1.00 96.27 C
117
+ ATOM 117 CA LEU A 15 24.984 -11.218 10.463 1.00 96.44 C
118
+ ATOM 118 CB LEU A 15 26.066 -10.387 9.768 1.00 96.23 C
119
+ ATOM 119 CD1 LEU A 15 27.467 -8.316 9.593 1.00 94.03 C
120
+ ATOM 120 CD2 LEU A 15 25.087 -8.156 10.371 1.00 93.70 C
121
+ ATOM 121 CG LEU A 15 26.351 -9.009 10.366 1.00 95.51 C
122
+ ATOM 122 N LEU A 15 25.368 -11.508 11.840 1.00 96.43 N
123
+ ATOM 123 O LEU A 15 23.935 -12.528 8.750 1.00 95.82 O
124
+ ATOM 124 C LEU A 16 24.140 -15.709 10.085 1.00 95.64 C
125
+ ATOM 125 CA LEU A 16 25.239 -14.862 9.449 1.00 96.18 C
126
+ ATOM 126 CB LEU A 16 26.566 -15.624 9.475 1.00 95.78 C
127
+ ATOM 127 CD1 LEU A 16 29.012 -15.701 8.934 1.00 93.04 C
128
+ ATOM 128 CD2 LEU A 16 27.329 -15.436 7.092 1.00 92.60 C
129
+ ATOM 129 CG LEU A 16 27.662 -15.108 8.543 1.00 94.94 C
130
+ ATOM 130 N LEU A 16 25.371 -13.582 10.134 1.00 96.30 N
131
+ ATOM 131 O LEU A 16 23.881 -16.830 9.644 1.00 94.55 O
132
+ ATOM 132 C SER A 17 21.183 -15.991 11.152 1.00 94.92 C
133
+ ATOM 133 CA SER A 17 22.536 -15.965 11.855 1.00 95.19 C
134
+ ATOM 134 CB SER A 17 22.375 -15.391 13.263 1.00 94.47 C
135
+ ATOM 135 N SER A 17 23.512 -15.190 11.095 1.00 95.40 N
136
+ ATOM 136 O SER A 17 20.903 -15.144 10.301 1.00 94.14 O
137
+ ATOM 137 OG SER A 17 21.610 -14.198 13.237 1.00 90.60 O
138
+ ATOM 138 C LYS A 18 18.157 -15.857 11.321 1.00 94.28 C
139
+ ATOM 139 CA LYS A 18 19.006 -17.089 11.024 1.00 94.49 C
140
+ ATOM 140 CB LYS A 18 18.336 -18.339 11.597 1.00 92.59 C
141
+ ATOM 141 CD LYS A 18 18.137 -20.848 11.598 1.00 75.41 C
142
+ ATOM 142 CE LYS A 18 18.721 -22.158 11.087 1.00 66.89 C
143
+ ATOM 143 CG LYS A 18 18.907 -19.646 11.067 1.00 80.50 C
144
+ ATOM 144 N LYS A 18 20.355 -16.939 11.561 1.00 94.90 N
145
+ ATOM 145 NZ LYS A 18 17.985 -23.340 11.624 1.00 62.21 N
146
+ ATOM 146 O LYS A 18 17.205 -15.564 10.595 1.00 93.20 O
147
+ ATOM 147 C LYS A 19 17.714 -12.953 11.586 1.00 92.60 C
148
+ ATOM 148 CA LYS A 19 17.804 -13.968 12.723 1.00 92.54 C
149
+ ATOM 149 CB LYS A 19 18.482 -13.333 13.938 1.00 90.93 C
150
+ ATOM 150 CD LYS A 19 18.498 -11.506 15.670 1.00 77.38 C
151
+ ATOM 151 CE LYS A 19 17.813 -10.243 16.174 1.00 70.22 C
152
+ ATOM 152 CG LYS A 19 17.775 -12.094 14.465 1.00 82.07 C
153
+ ATOM 153 N LYS A 19 18.523 -15.167 12.302 1.00 93.01 N
154
+ ATOM 154 NZ LYS A 19 18.564 -9.618 17.303 1.00 64.99 N
155
+ ATOM 155 O LYS A 19 16.695 -12.278 11.430 1.00 91.48 O
156
+ ATOM 156 C HIS A 20 18.727 -12.418 8.371 1.00 94.68 C
157
+ ATOM 157 CA HIS A 20 18.767 -11.818 9.773 1.00 94.66 C
158
+ ATOM 158 CB HIS A 20 20.019 -10.955 9.939 1.00 93.49 C
159
+ ATOM 159 CD2 HIS A 20 20.978 -10.373 12.277 1.00 83.59 C
160
+ ATOM 160 CE1 HIS A 20 19.496 -8.864 12.855 1.00 84.80 C
161
+ ATOM 161 CG HIS A 20 20.094 -10.255 11.258 1.00 89.74 C
162
+ ATOM 162 N HIS A 20 18.726 -12.859 10.793 1.00 94.38 N
163
+ ATOM 163 ND1 HIS A 20 19.178 -9.303 11.649 1.00 82.97 N
164
+ ATOM 164 NE2 HIS A 20 20.585 -9.496 13.259 1.00 85.72 N
165
+ ATOM 165 O HIS A 20 18.967 -11.718 7.385 1.00 93.88 O
166
+ ATOM 166 C ALA A 21 17.537 -13.794 5.976 1.00 94.76 C
167
+ ATOM 167 CA ALA A 21 18.471 -14.408 7.016 1.00 95.06 C
168
+ ATOM 168 CB ALA A 21 18.129 -15.882 7.229 1.00 93.92 C
169
+ ATOM 169 N ALA A 21 18.399 -13.680 8.280 1.00 95.07 N
170
+ ATOM 170 O ALA A 21 17.833 -13.813 4.778 1.00 94.06 O
171
+ ATOM 171 C ALA A 22 16.073 -11.561 4.636 1.00 93.46 C
172
+ ATOM 172 CA ALA A 22 15.473 -12.688 5.473 1.00 93.61 C
173
+ ATOM 173 CB ALA A 22 14.265 -12.179 6.256 1.00 92.26 C
174
+ ATOM 174 N ALA A 22 16.466 -13.254 6.381 1.00 94.02 N
175
+ ATOM 175 O ALA A 22 15.625 -11.304 3.516 1.00 92.22 O
176
+ ATOM 176 C TYR A 23 19.110 -9.948 4.167 1.00 94.92 C
177
+ ATOM 177 CA TYR A 23 17.599 -9.793 4.296 1.00 94.71 C
178
+ ATOM 178 CB TYR A 23 17.267 -8.441 4.935 1.00 92.95 C
179
+ ATOM 179 CD1 TYR A 23 16.561 -8.679 7.348 1.00 78.50 C
180
+ ATOM 180 CD2 TYR A 23 18.813 -8.031 6.886 1.00 78.29 C
181
+ ATOM 181 CE1 TYR A 23 16.818 -8.625 8.714 1.00 76.66 C
182
+ ATOM 182 CE2 TYR A 23 19.082 -7.974 8.249 1.00 74.28 C
183
+ ATOM 183 CG TYR A 23 17.553 -8.383 6.417 1.00 85.99 C
184
+ ATOM 184 CZ TYR A 23 18.080 -8.272 9.154 1.00 75.22 C
185
+ ATOM 185 N TYR A 23 17.028 -10.883 5.078 1.00 94.76 N
186
+ ATOM 186 O TYR A 23 19.766 -9.158 3.484 1.00 93.92 O
187
+ ATOM 187 OH TYR A 23 18.341 -8.217 10.506 1.00 57.77 O
188
+ ATOM 188 C ALA A 24 21.664 -12.086 3.650 1.00 96.51 C
189
+ ATOM 189 CA ALA A 24 21.217 -11.108 4.733 1.00 96.48 C
190
+ ATOM 190 CB ALA A 24 21.735 -11.556 6.097 1.00 95.95 C
191
+ ATOM 191 N ALA A 24 19.762 -10.982 4.757 1.00 96.34 N
192
+ ATOM 192 O ALA A 24 22.818 -12.055 3.214 1.00 96.14 O
193
+ ATOM 193 C TRP A 25 21.857 -13.638 1.027 1.00 95.73 C
194
+ ATOM 194 CA TRP A 25 21.135 -14.081 2.296 1.00 95.94 C
195
+ ATOM 195 CB TRP A 25 19.900 -14.909 1.931 1.00 95.18 C
196
+ ATOM 196 CD1 TRP A 25 17.808 -13.468 1.559 1.00 86.47 C
197
+ ATOM 197 CD2 TRP A 25 18.871 -14.059 -0.322 1.00 87.24 C
198
+ ATOM 198 CE2 TRP A 25 17.747 -13.275 -0.664 1.00 84.71 C
199
+ ATOM 199 CE3 TRP A 25 19.696 -14.545 -1.344 1.00 83.81 C
200
+ ATOM 200 CG TRP A 25 18.891 -14.168 1.105 1.00 91.83 C
201
+ ATOM 201 CH2 TRP A 25 18.249 -13.457 -2.970 1.00 85.82 C
202
+ ATOM 202 CZ2 TRP A 25 17.427 -12.968 -1.989 1.00 87.54 C
203
+ ATOM 203 CZ3 TRP A 25 19.376 -14.239 -2.661 1.00 86.14 C
204
+ ATOM 204 N TRP A 25 20.760 -12.931 3.110 1.00 95.90 N
205
+ ATOM 205 NE1 TRP A 25 17.116 -12.928 0.500 1.00 88.92 N
206
+ ATOM 206 O TRP A 25 22.745 -14.338 0.535 1.00 94.79 O
207
+ ATOM 207 C PRO A 26 23.790 -11.797 -0.529 1.00 96.33 C
208
+ ATOM 208 CA PRO A 26 22.305 -12.027 -0.801 1.00 96.24 C
209
+ ATOM 209 CB PRO A 26 21.626 -10.734 -1.256 1.00 95.95 C
210
+ ATOM 210 CD PRO A 26 20.328 -11.484 0.660 1.00 95.44 C
211
+ ATOM 211 CG PRO A 26 20.250 -10.800 -0.676 1.00 95.63 C
212
+ ATOM 212 N PRO A 26 21.559 -12.395 0.404 1.00 96.10 N
213
+ ATOM 213 O PRO A 26 24.593 -11.748 -1.464 1.00 96.08 O
214
+ ATOM 214 C PHE A 27 26.319 -12.500 1.676 1.00 97.06 C
215
+ ATOM 215 CA PHE A 27 25.531 -11.332 1.096 1.00 97.08 C
216
+ ATOM 216 CB PHE A 27 25.500 -10.172 2.095 1.00 96.91 C
217
+ ATOM 217 CD1 PHE A 27 25.317 -8.136 0.627 1.00 95.41 C
218
+ ATOM 218 CD2 PHE A 27 23.502 -8.646 2.098 1.00 95.22 C
219
+ ATOM 219 CE1 PHE A 27 24.633 -7.015 0.163 1.00 94.20 C
220
+ ATOM 220 CE2 PHE A 27 22.812 -7.527 1.640 1.00 94.19 C
221
+ ATOM 221 CG PHE A 27 24.758 -8.961 1.597 1.00 96.45 C
222
+ ATOM 222 CZ PHE A 27 23.379 -6.713 0.673 1.00 93.71 C
223
+ ATOM 223 N PHE A 27 24.176 -11.744 0.747 1.00 97.02 N
224
+ ATOM 224 O PHE A 27 27.472 -12.338 2.079 1.00 96.71 O
225
+ ATOM 225 C TYR A 28 27.496 -15.292 1.533 1.00 96.27 C
226
+ ATOM 226 CA TYR A 28 26.324 -14.792 2.369 1.00 96.48 C
227
+ ATOM 227 CB TYR A 28 25.307 -15.920 2.570 1.00 96.06 C
228
+ ATOM 228 CD1 TYR A 28 24.579 -14.650 4.630 1.00 90.29 C
229
+ ATOM 229 CD2 TYR A 28 23.246 -16.495 3.905 1.00 89.95 C
230
+ ATOM 230 CE1 TYR A 28 23.710 -14.430 5.693 1.00 88.97 C
231
+ ATOM 231 CE2 TYR A 28 22.370 -16.285 4.966 1.00 88.41 C
232
+ ATOM 232 CG TYR A 28 24.360 -15.684 3.721 1.00 94.33 C
233
+ ATOM 233 CZ TYR A 28 22.610 -15.252 5.853 1.00 87.85 C
234
+ ATOM 234 N TYR A 28 25.691 -13.637 1.741 1.00 96.54 N
235
+ ATOM 235 O TYR A 28 28.520 -15.712 2.077 1.00 95.71 O
236
+ ATOM 236 OH TYR A 28 21.746 -15.040 6.904 1.00 78.28 O
237
+ ATOM 237 C LYS A 29 28.732 -14.757 -1.775 1.00 96.34 C
238
+ ATOM 238 CA LYS A 29 28.345 -15.799 -0.731 1.00 96.18 C
239
+ ATOM 239 CB LYS A 29 27.797 -17.051 -1.417 1.00 95.06 C
240
+ ATOM 240 CD LYS A 29 26.950 -19.412 -1.205 1.00 81.02 C
241
+ ATOM 241 CE LYS A 29 26.649 -20.561 -0.252 1.00 71.15 C
242
+ ATOM 242 CG LYS A 29 27.475 -18.191 -0.462 1.00 86.43 C
243
+ ATOM 243 N LYS A 29 27.368 -15.262 0.211 1.00 96.25 N
244
+ ATOM 244 NZ LYS A 29 26.203 -21.784 -0.983 1.00 65.63 N
245
+ ATOM 245 O LYS A 29 28.014 -13.775 -1.977 1.00 96.05 O
246
+ ATOM 246 C PRO A 30 29.216 -14.001 -4.520 1.00 96.21 C
247
+ ATOM 247 CA PRO A 30 30.283 -14.045 -3.430 1.00 96.32 C
248
+ ATOM 248 CB PRO A 30 31.583 -14.654 -3.962 1.00 95.80 C
249
+ ATOM 249 CD PRO A 30 31.006 -15.996 -2.018 1.00 93.36 C
250
+ ATOM 250 CG PRO A 30 32.145 -15.422 -2.810 1.00 94.32 C
251
+ ATOM 251 N PRO A 30 29.924 -14.934 -2.322 1.00 96.23 N
252
+ ATOM 252 O PRO A 30 28.546 -15.004 -4.775 1.00 95.88 O
253
+ ATOM 253 C VAL A 31 28.541 -13.538 -7.362 1.00 96.16 C
254
+ ATOM 254 CA VAL A 31 28.069 -12.690 -6.183 1.00 96.58 C
255
+ ATOM 255 CB VAL A 31 27.934 -11.212 -6.609 1.00 96.14 C
256
+ ATOM 256 CG1 VAL A 31 27.126 -11.093 -7.900 1.00 93.36 C
257
+ ATOM 257 CG2 VAL A 31 27.289 -10.392 -5.494 1.00 92.98 C
258
+ ATOM 258 N VAL A 31 28.993 -12.843 -5.063 1.00 96.66 N
259
+ ATOM 259 O VAL A 31 29.682 -13.406 -7.812 1.00 95.25 O
260
+ ATOM 260 C ASP A 32 27.427 -14.435 -10.168 1.00 95.81 C
261
+ ATOM 261 CA ASP A 32 27.931 -15.186 -8.937 1.00 95.67 C
262
+ ATOM 262 CB ASP A 32 27.260 -16.558 -8.846 1.00 94.76 C
263
+ ATOM 263 CG ASP A 32 27.717 -17.515 -9.932 1.00 90.86 C
264
+ ATOM 264 N ASP A 32 27.692 -14.417 -7.719 1.00 95.57 N
265
+ ATOM 265 O ASP A 32 26.296 -14.647 -10.610 1.00 95.29 O
266
+ ATOM 266 OD1 ASP A 32 28.262 -17.056 -10.959 1.00 87.63 O
267
+ ATOM 267 OD2 ASP A 32 27.527 -18.739 -9.762 1.00 88.86 O
268
+ ATOM 268 C ALA A 33 27.405 -13.516 -13.061 1.00 95.22 C
269
+ ATOM 269 CA ALA A 33 27.863 -12.729 -11.837 1.00 95.42 C
270
+ ATOM 270 CB ALA A 33 29.025 -11.808 -12.203 1.00 94.30 C
271
+ ATOM 271 N ALA A 33 28.247 -13.626 -10.750 1.00 95.21 N
272
+ ATOM 272 O ALA A 33 26.436 -13.136 -13.724 1.00 94.53 O
273
+ ATOM 273 C SER A 34 26.280 -16.017 -14.309 1.00 94.48 C
274
+ ATOM 274 CA SER A 34 27.654 -15.376 -14.476 1.00 94.43 C
275
+ ATOM 275 CB SER A 34 28.706 -16.461 -14.710 1.00 92.54 C
276
+ ATOM 276 N SER A 34 28.003 -14.564 -13.316 1.00 94.61 N
277
+ ATOM 277 O SER A 34 25.451 -15.969 -15.220 1.00 93.78 O
278
+ ATOM 278 OG SER A 34 28.715 -17.391 -13.640 1.00 74.60 O
279
+ ATOM 279 C ALA A 35 23.631 -16.195 -12.987 1.00 93.68 C
280
+ ATOM 280 CA ALA A 35 24.761 -17.222 -12.967 1.00 93.84 C
281
+ ATOM 281 CB ALA A 35 24.793 -17.948 -11.624 1.00 92.44 C
282
+ ATOM 282 N ALA A 35 26.049 -16.589 -13.235 1.00 94.02 N
283
+ ATOM 283 O ALA A 35 22.504 -16.511 -13.377 1.00 92.61 O
284
+ ATOM 284 C LEU A 36 22.820 -13.159 -13.799 1.00 93.98 C
285
+ ATOM 285 CA LEU A 36 22.931 -13.958 -12.505 1.00 94.33 C
286
+ ATOM 286 CB LEU A 36 23.227 -13.019 -11.333 1.00 93.50 C
287
+ ATOM 287 CD1 LEU A 36 23.616 -12.630 -8.887 1.00 86.64 C
288
+ ATOM 288 CD2 LEU A 36 21.712 -14.081 -9.637 1.00 86.49 C
289
+ ATOM 289 CG LEU A 36 23.137 -13.630 -9.934 1.00 90.66 C
290
+ ATOM 290 N LEU A 36 23.967 -14.981 -12.613 1.00 94.09 N
291
+ ATOM 291 O LEU A 36 21.966 -12.276 -13.917 1.00 92.88 O
292
+ ATOM 292 C GLY A 37 24.122 -11.257 -15.849 1.00 95.65 C
293
+ ATOM 293 CA GLY A 37 23.663 -12.697 -15.969 1.00 95.59 C
294
+ ATOM 294 N GLY A 37 23.691 -13.413 -14.704 1.00 95.59 N
295
+ ATOM 295 O GLY A 37 23.659 -10.389 -16.593 1.00 94.54 O
296
+ ATOM 296 C LEU A 38 26.827 -9.404 -15.371 1.00 95.48 C
297
+ ATOM 297 CA LEU A 38 25.475 -9.587 -14.691 1.00 96.02 C
298
+ ATOM 298 CB LEU A 38 25.604 -9.315 -13.190 1.00 95.23 C
299
+ ATOM 299 CD1 LEU A 38 24.646 -9.300 -10.873 1.00 89.43 C
300
+ ATOM 300 CD2 LEU A 38 23.205 -8.668 -12.827 1.00 89.15 C
301
+ ATOM 301 CG LEU A 38 24.350 -9.553 -12.348 1.00 93.19 C
302
+ ATOM 302 N LEU A 38 24.953 -10.929 -14.923 1.00 95.80 N
303
+ ATOM 303 O LEU A 38 27.867 -9.417 -14.708 1.00 93.67 O
304
+ ATOM 304 C HIS A 39 28.989 -8.001 -17.068 1.00 95.83 C
305
+ ATOM 305 CA HIS A 39 28.056 -9.172 -17.356 1.00 95.72 C
306
+ ATOM 306 CB HIS A 39 27.667 -9.181 -18.836 1.00 93.38 C
307
+ ATOM 307 CD2 HIS A 39 25.584 -10.443 -19.731 1.00 74.26 C
308
+ ATOM 308 CE1 HIS A 39 26.354 -12.487 -19.544 1.00 68.93 C
309
+ ATOM 309 CG HIS A 39 26.840 -10.363 -19.232 1.00 82.28 C
310
+ ATOM 310 N HIS A 39 26.866 -9.117 -16.515 1.00 95.54 N
311
+ ATOM 311 ND1 HIS A 39 27.296 -11.659 -19.125 1.00 71.96 N
312
+ ATOM 312 NE2 HIS A 39 25.305 -11.774 -19.917 1.00 69.13 N
313
+ ATOM 313 O HIS A 39 30.185 -8.068 -17.362 1.00 94.89 O
314
+ ATOM 314 C ASP A 40 29.734 -5.710 -14.742 1.00 96.95 C
315
+ ATOM 315 CA ASP A 40 29.304 -5.777 -16.206 1.00 96.68 C
316
+ ATOM 316 CB ASP A 40 28.566 -4.494 -16.596 1.00 95.83 C
317
+ ATOM 317 CG ASP A 40 27.262 -4.306 -15.841 1.00 93.40 C
318
+ ATOM 318 N ASP A 40 28.466 -6.944 -16.454 1.00 96.51 N
319
+ ATOM 319 O ASP A 40 30.376 -4.745 -14.321 1.00 96.67 O
320
+ ATOM 320 OD1 ASP A 40 26.796 -5.261 -15.183 1.00 92.11 O
321
+ ATOM 321 OD2 ASP A 40 26.695 -3.195 -15.906 1.00 90.01 O
322
+ ATOM 322 C TYR A 41 31.012 -6.336 -12.195 1.00 97.08 C
323
+ ATOM 323 CA TYR A 41 29.545 -6.577 -12.535 1.00 97.16 C
324
+ ATOM 324 CB TYR A 41 29.056 -7.860 -11.855 1.00 96.90 C
325
+ ATOM 325 CD1 TYR A 41 28.316 -7.152 -9.547 1.00 95.52 C
326
+ ATOM 326 CD2 TYR A 41 30.255 -8.534 -9.740 1.00 95.28 C
327
+ ATOM 327 CE1 TYR A 41 28.457 -7.138 -8.163 1.00 94.36 C
328
+ ATOM 328 CE2 TYR A 41 30.405 -8.526 -8.358 1.00 94.24 C
329
+ ATOM 329 CG TYR A 41 29.212 -7.849 -10.354 1.00 96.33 C
330
+ ATOM 330 CZ TYR A 41 29.503 -7.827 -7.578 1.00 93.28 C
331
+ ATOM 331 N TYR A 41 29.351 -6.656 -13.979 1.00 97.01 N
332
+ ATOM 332 O TYR A 41 31.341 -5.389 -11.476 1.00 96.70 O
333
+ ATOM 333 OH TYR A 41 29.646 -7.816 -6.209 1.00 92.92 O
334
+ ATOM 334 C HIS A 42 33.992 -5.932 -13.013 1.00 96.54 C
335
+ ATOM 335 CA HIS A 42 33.295 -7.094 -12.314 1.00 96.60 C
336
+ ATOM 336 CB HIS A 42 34.019 -8.405 -12.625 1.00 95.71 C
337
+ ATOM 337 CD2 HIS A 42 33.014 -10.749 -12.153 1.00 86.95 C
338
+ ATOM 338 CE1 HIS A 42 33.135 -10.705 -9.964 1.00 85.78 C
339
+ ATOM 339 CG HIS A 42 33.553 -9.559 -11.796 1.00 92.55 C
340
+ ATOM 340 N HIS A 42 31.892 -7.180 -12.707 1.00 96.69 N
341
+ ATOM 341 ND1 HIS A 42 33.616 -9.561 -10.420 1.00 87.03 N
342
+ ATOM 342 NE2 HIS A 42 32.763 -11.444 -10.995 1.00 88.08 N
343
+ ATOM 343 O HIS A 42 35.137 -5.605 -12.691 1.00 95.89 O
344
+ ATOM 344 C ASP A 43 33.525 -2.892 -13.612 1.00 96.59 C
345
+ ATOM 345 CA ASP A 43 33.783 -4.051 -14.574 1.00 96.53 C
346
+ ATOM 346 CB ASP A 43 33.110 -3.777 -15.919 1.00 95.69 C
347
+ ATOM 347 CG ASP A 43 33.482 -4.791 -16.987 1.00 90.47 C
348
+ ATOM 348 N ASP A 43 33.312 -5.313 -14.013 1.00 96.63 N
349
+ ATOM 349 O ASP A 43 34.298 -1.933 -13.565 1.00 96.17 O
350
+ ATOM 350 OD1 ASP A 43 34.576 -5.391 -16.903 1.00 85.29 O
351
+ ATOM 351 OD2 ASP A 43 32.677 -4.990 -17.922 1.00 85.60 O
352
+ ATOM 352 C ILE A 44 32.624 -2.199 -10.505 1.00 97.34 C
353
+ ATOM 353 CA ILE A 44 32.076 -1.938 -11.906 1.00 97.27 C
354
+ ATOM 354 CB ILE A 44 30.537 -1.820 -11.865 1.00 96.86 C
355
+ ATOM 355 CD1 ILE A 44 28.484 -1.419 -13.346 1.00 90.28 C
356
+ ATOM 356 CG1 ILE A 44 30.000 -1.359 -13.226 1.00 93.86 C
357
+ ATOM 357 CG2 ILE A 44 30.097 -0.865 -10.751 1.00 93.57 C
358
+ ATOM 358 N ILE A 44 32.506 -3.001 -12.808 1.00 97.23 N
359
+ ATOM 359 O ILE A 44 33.159 -1.292 -9.862 1.00 97.12 O
360
+ ATOM 360 C ILE A 45 34.291 -4.408 -8.842 1.00 97.58 C
361
+ ATOM 361 CA ILE A 45 32.910 -3.763 -8.750 1.00 97.79 C
362
+ ATOM 362 CB ILE A 45 31.918 -4.717 -8.047 1.00 97.60 C
363
+ ATOM 363 CD1 ILE A 45 30.467 -2.692 -7.447 1.00 94.34 C
364
+ ATOM 364 CG1 ILE A 45 30.514 -4.102 -8.020 1.00 96.28 C
365
+ ATOM 365 CG2 ILE A 45 32.399 -5.048 -6.631 1.00 96.26 C
366
+ ATOM 366 N ILE A 45 32.446 -3.399 -10.084 1.00 97.83 N
367
+ ATOM 367 O ILE A 45 34.413 -5.577 -9.219 1.00 97.03 O
368
+ ATOM 368 C LYS A 46 37.123 -5.039 -7.392 1.00 96.61 C
369
+ ATOM 369 CA LYS A 46 36.688 -4.192 -8.585 1.00 96.93 C
370
+ ATOM 370 CB LYS A 46 37.634 -3.002 -8.755 1.00 95.85 C
371
+ ATOM 371 CD LYS A 46 37.503 -3.037 -11.269 1.00 83.95 C
372
+ ATOM 372 CE LYS A 46 37.282 -2.212 -12.530 1.00 76.42 C
373
+ ATOM 373 CG LYS A 46 37.380 -2.184 -10.013 1.00 88.78 C
374
+ ATOM 374 N LYS A 46 35.311 -3.734 -8.431 1.00 97.21 N
375
+ ATOM 375 NZ LYS A 46 37.246 -3.068 -13.753 1.00 73.95 N
376
+ ATOM 376 O LYS A 46 37.984 -5.911 -7.523 1.00 95.60 O
377
+ ATOM 377 C HIS A 47 35.551 -6.123 -4.459 1.00 97.46 C
378
+ ATOM 378 CA HIS A 47 36.801 -5.512 -5.085 1.00 97.33 C
379
+ ATOM 379 CB HIS A 47 37.493 -4.590 -4.080 1.00 96.60 C
380
+ ATOM 380 CD2 HIS A 47 38.949 -2.609 -4.909 1.00 82.39 C
381
+ ATOM 381 CE1 HIS A 47 40.759 -3.740 -5.411 1.00 79.83 C
382
+ ATOM 382 CG HIS A 47 38.709 -3.912 -4.627 1.00 91.21 C
383
+ ATOM 383 N HIS A 47 36.476 -4.785 -6.306 1.00 97.31 N
384
+ ATOM 384 ND1 HIS A 47 39.860 -4.597 -4.953 1.00 80.71 N
385
+ ATOM 385 NE2 HIS A 47 40.231 -2.529 -5.395 1.00 82.29 N
386
+ ATOM 386 O HIS A 47 34.973 -5.552 -3.531 1.00 97.17 O
387
+ ATOM 387 C PRO A 48 34.226 -8.372 -2.985 1.00 97.15 C
388
+ ATOM 388 CA PRO A 48 34.005 -7.926 -4.430 1.00 97.16 C
389
+ ATOM 389 CB PRO A 48 33.798 -9.132 -5.348 1.00 96.83 C
390
+ ATOM 390 CD PRO A 48 35.670 -7.881 -6.272 1.00 94.73 C
391
+ ATOM 391 CG PRO A 48 34.512 -8.776 -6.612 1.00 95.59 C
392
+ ATOM 392 N PRO A 48 35.179 -7.262 -5.002 1.00 97.11 N
393
+ ATOM 393 O PRO A 48 35.352 -8.700 -2.603 1.00 96.97 O
394
+ ATOM 394 C MET A 49 31.920 -9.357 -0.360 1.00 97.82 C
395
+ ATOM 395 CA MET A 49 33.258 -8.750 -0.769 1.00 97.78 C
396
+ ATOM 396 CB MET A 49 33.590 -7.560 0.133 1.00 97.49 C
397
+ ATOM 397 CE MET A 49 36.621 -8.186 1.126 1.00 89.98 C
398
+ ATOM 398 CG MET A 49 33.869 -7.946 1.577 1.00 96.03 C
399
+ ATOM 399 N MET A 49 33.237 -8.341 -2.171 1.00 97.77 N
400
+ ATOM 400 O MET A 49 30.878 -9.005 -0.916 1.00 97.66 O
401
+ ATOM 401 SD MET A 49 35.223 -9.175 1.727 1.00 94.71 S
402
+ ATOM 402 C ASP A 50 31.050 -11.558 2.454 1.00 97.80 C
403
+ ATOM 403 CA ASP A 50 30.764 -11.001 1.061 1.00 97.67 C
404
+ ATOM 404 CB ASP A 50 30.337 -12.129 0.120 1.00 97.45 C
405
+ ATOM 405 CG ASP A 50 31.368 -13.239 0.019 1.00 96.20 C
406
+ ATOM 406 N ASP A 50 31.929 -10.301 0.527 1.00 97.67 N
407
+ ATOM 407 O ASP A 50 32.192 -11.531 2.917 1.00 97.70 O
408
+ ATOM 408 OD1 ASP A 50 31.237 -14.260 0.728 1.00 93.46 O
409
+ ATOM 409 OD2 ASP A 50 32.322 -13.091 -0.774 1.00 92.92 O
410
+ ATOM 410 C LEU A 51 31.046 -13.751 4.624 1.00 97.48 C
411
+ ATOM 411 CA LEU A 51 30.219 -12.475 4.504 1.00 97.54 C
412
+ ATOM 412 CB LEU A 51 28.852 -12.676 5.163 1.00 97.36 C
413
+ ATOM 413 CD1 LEU A 51 26.683 -11.771 6.037 1.00 94.42 C
414
+ ATOM 414 CD2 LEU A 51 28.791 -10.433 6.288 1.00 93.96 C
415
+ ATOM 415 CG LEU A 51 28.025 -11.413 5.407 1.00 96.53 C
416
+ ATOM 416 N LEU A 51 30.060 -12.088 3.106 1.00 97.63 N
417
+ ATOM 417 O LEU A 51 31.752 -13.948 5.616 1.00 97.17 O
418
+ ATOM 418 C SER A 52 33.343 -15.523 3.609 1.00 97.22 C
419
+ ATOM 419 CA SER A 52 31.865 -15.884 3.725 1.00 97.19 C
420
+ ATOM 420 CB SER A 52 31.489 -16.884 2.631 1.00 96.47 C
421
+ ATOM 421 N SER A 52 31.023 -14.696 3.644 1.00 97.32 N
422
+ ATOM 422 O SER A 52 34.189 -16.133 4.266 1.00 96.94 O
423
+ ATOM 423 OG SER A 52 31.700 -16.326 1.345 1.00 71.16 O
424
+ ATOM 424 C THR A 53 35.452 -13.390 3.938 1.00 97.23 C
425
+ ATOM 425 CA THR A 53 35.011 -14.041 2.631 1.00 97.16 C
426
+ ATOM 426 CB THR A 53 35.155 -13.031 1.476 1.00 96.84 C
427
+ ATOM 427 CG2 THR A 53 36.581 -12.496 1.389 1.00 94.69 C
428
+ ATOM 428 N THR A 53 33.642 -14.534 2.733 1.00 97.19 N
429
+ ATOM 429 O THR A 53 36.562 -13.631 4.415 1.00 97.06 O
430
+ ATOM 430 OG1 THR A 53 34.822 -13.676 0.241 1.00 93.61 O
431
+ ATOM 431 C VAL A 54 35.090 -13.033 6.868 1.00 97.40 C
432
+ ATOM 432 CA VAL A 54 34.857 -11.966 5.800 1.00 97.46 C
433
+ ATOM 433 CB VAL A 54 33.717 -11.017 6.236 1.00 97.29 C
434
+ ATOM 434 CG1 VAL A 54 33.952 -10.510 7.657 1.00 96.04 C
435
+ ATOM 435 CG2 VAL A 54 33.596 -9.847 5.261 1.00 95.99 C
436
+ ATOM 436 N VAL A 54 34.563 -12.603 4.521 1.00 97.51 N
437
+ ATOM 437 O VAL A 54 36.028 -12.932 7.662 1.00 97.14 O
438
+ ATOM 438 C LYS A 55 35.681 -15.868 7.674 1.00 96.83 C
439
+ ATOM 439 CA LYS A 55 34.341 -15.157 7.840 1.00 96.98 C
440
+ ATOM 440 CB LYS A 55 33.194 -16.154 7.673 1.00 96.63 C
441
+ ATOM 441 CD LYS A 55 32.017 -18.216 8.509 1.00 91.01 C
442
+ ATOM 442 CE LYS A 55 32.069 -19.391 9.477 1.00 87.32 C
443
+ ATOM 443 CG LYS A 55 33.239 -17.318 8.653 1.00 94.18 C
444
+ ATOM 444 N LYS A 55 34.208 -14.059 6.887 1.00 97.09 N
445
+ ATOM 445 NZ LYS A 55 33.094 -20.398 9.072 1.00 80.87 N
446
+ ATOM 446 O LYS A 55 36.366 -16.150 8.660 1.00 96.44 O
447
+ ATOM 447 C ARG A 56 38.480 -15.967 6.626 1.00 97.11 C
448
+ ATOM 448 CA ARG A 56 37.316 -16.827 6.147 1.00 97.09 C
449
+ ATOM 449 CB ARG A 56 37.466 -17.132 4.655 1.00 96.20 C
450
+ ATOM 450 CD ARG A 56 38.796 -18.241 2.827 1.00 75.36 C
451
+ ATOM 451 CG ARG A 56 38.738 -17.888 4.307 1.00 82.51 C
452
+ ATOM 452 CZ ARG A 56 38.321 -17.009 0.736 1.00 65.22 C
453
+ ATOM 453 N ARG A 56 36.038 -16.174 6.412 1.00 97.24 N
454
+ ATOM 454 NE ARG A 56 38.774 -17.048 1.987 1.00 72.26 N
455
+ ATOM 455 NH1 ARG A 56 37.840 -18.102 0.155 1.00 59.07 N
456
+ ATOM 456 NH2 ARG A 56 38.347 -15.869 0.062 1.00 51.94 N
457
+ ATOM 457 O ARG A 56 39.414 -16.469 7.254 1.00 96.83 O
458
+ ATOM 458 C LYS A 57 39.574 -13.687 8.357 1.00 96.40 C
459
+ ATOM 459 CA LYS A 57 39.487 -13.727 6.833 1.00 96.53 C
460
+ ATOM 460 CB LYS A 57 39.256 -12.319 6.285 1.00 96.26 C
461
+ ATOM 461 CD LYS A 57 39.157 -10.794 4.284 1.00 93.08 C
462
+ ATOM 462 CE LYS A 57 40.177 -9.760 4.744 1.00 90.38 C
463
+ ATOM 463 CG LYS A 57 39.506 -12.188 4.789 1.00 95.02 C
464
+ ATOM 464 N LYS A 57 38.428 -14.630 6.391 1.00 96.56 N
465
+ ATOM 465 NZ LYS A 57 40.001 -8.457 4.036 1.00 85.66 N
466
+ ATOM 466 O LYS A 57 40.669 -13.633 8.919 1.00 96.06 O
467
+ ATOM 467 C MET A 58 38.984 -15.019 11.026 1.00 95.20 C
468
+ ATOM 468 CA MET A 58 38.363 -13.737 10.481 1.00 95.47 C
469
+ ATOM 469 CB MET A 58 36.919 -13.607 10.969 1.00 94.99 C
470
+ ATOM 470 CE MET A 58 36.301 -10.819 12.823 1.00 83.70 C
471
+ ATOM 471 CG MET A 58 36.786 -13.555 12.483 1.00 92.41 C
472
+ ATOM 472 N MET A 58 38.416 -13.710 9.022 1.00 95.57 N
473
+ ATOM 473 O MET A 58 39.807 -14.975 11.941 1.00 94.51 O
474
+ ATOM 474 SD MET A 58 37.567 -12.060 13.207 1.00 89.99 S
475
+ ATOM 475 C GLU A 59 40.677 -17.631 10.669 1.00 94.82 C
476
+ ATOM 476 CA GLU A 59 39.180 -17.488 10.922 1.00 95.14 C
477
+ ATOM 477 CB GLU A 59 38.418 -18.612 10.218 1.00 94.57 C
478
+ ATOM 478 CD GLU A 59 36.181 -19.763 9.853 1.00 89.55 C
479
+ ATOM 479 CG GLU A 59 36.972 -18.754 10.672 1.00 91.95 C
480
+ ATOM 480 N GLU A 59 38.692 -16.184 10.484 1.00 95.33 N
481
+ ATOM 481 O GLU A 59 41.389 -18.257 11.456 1.00 94.08 O
482
+ ATOM 482 OE1 GLU A 59 36.643 -20.147 8.755 1.00 87.69 O
483
+ ATOM 483 OE2 GLU A 59 35.091 -20.170 10.313 1.00 87.39 O
484
+ ATOM 484 C ASN A 60 43.377 -15.969 10.004 1.00 94.63 C
485
+ ATOM 485 CA ASN A 60 42.561 -17.020 9.256 1.00 95.00 C
486
+ ATOM 486 CB ASN A 60 42.747 -16.862 7.745 1.00 94.12 C
487
+ ATOM 487 CG ASN A 60 42.259 -18.068 6.968 1.00 88.89 C
488
+ ATOM 488 N ASN A 60 41.147 -16.950 9.608 1.00 95.27 N
489
+ ATOM 489 ND2 ASN A 60 42.019 -17.882 5.675 1.00 79.59 N
490
+ ATOM 490 O ASN A 60 44.584 -15.844 9.787 1.00 93.52 O
491
+ ATOM 491 OD1 ASN A 60 42.100 -19.157 7.523 1.00 80.89 O
492
+ ATOM 492 C ARG A 61 44.039 -13.126 10.633 1.00 93.50 C
493
+ ATOM 493 CA ARG A 61 43.368 -14.129 11.565 1.00 93.48 C
494
+ ATOM 494 CB ARG A 61 44.396 -14.706 12.541 1.00 91.92 C
495
+ ATOM 495 CD ARG A 61 44.847 -16.094 14.594 1.00 80.11 C
496
+ ATOM 496 CG ARG A 61 43.793 -15.601 13.613 1.00 84.66 C
497
+ ATOM 497 CZ ARG A 61 44.940 -17.477 16.642 1.00 70.42 C
498
+ ATOM 498 N ARG A 61 42.721 -15.197 10.809 1.00 93.62 N
499
+ ATOM 499 NE ARG A 61 44.265 -16.952 15.623 1.00 73.15 N
500
+ ATOM 500 NH1 ARG A 61 46.239 -17.240 16.789 1.00 54.29 N
501
+ ATOM 501 NH2 ARG A 61 44.312 -18.243 17.521 1.00 49.21 N
502
+ ATOM 502 O ARG A 61 45.135 -12.640 10.920 1.00 92.35 O
503
+ ATOM 503 C ASP A 62 43.659 -10.405 9.029 1.00 94.64 C
504
+ ATOM 504 CA ASP A 62 43.907 -11.835 8.555 1.00 94.74 C
505
+ ATOM 505 CB ASP A 62 43.238 -12.064 7.199 1.00 94.22 C
506
+ ATOM 506 CG ASP A 62 43.641 -13.377 6.553 1.00 92.38 C
507
+ ATOM 507 N ASP A 62 43.423 -12.804 9.534 1.00 94.72 N
508
+ ATOM 508 O ASP A 62 44.319 -9.469 8.572 1.00 94.02 O
509
+ ATOM 509 OD1 ASP A 62 44.646 -13.985 6.980 1.00 88.89 O
510
+ ATOM 510 OD2 ASP A 62 42.948 -13.808 5.605 1.00 88.65 O
511
+ ATOM 511 C TYR A 63 43.310 -8.449 11.466 1.00 93.90 C
512
+ ATOM 512 CA TYR A 63 42.376 -8.843 10.329 1.00 94.47 C
513
+ ATOM 513 CB TYR A 63 40.919 -8.756 10.795 1.00 94.50 C
514
+ ATOM 514 CD1 TYR A 63 39.928 -8.106 8.565 1.00 94.51 C
515
+ ATOM 515 CD2 TYR A 63 38.949 -9.936 9.750 1.00 94.18 C
516
+ ATOM 516 CE1 TYR A 63 39.002 -8.268 7.539 1.00 93.80 C
517
+ ATOM 517 CE2 TYR A 63 38.019 -10.106 8.731 1.00 93.71 C
518
+ ATOM 518 CG TYR A 63 39.914 -8.937 9.683 1.00 94.83 C
519
+ ATOM 519 CZ TYR A 63 38.054 -9.269 7.630 1.00 93.78 C
520
+ ATOM 520 N TYR A 63 42.679 -10.184 9.844 1.00 94.31 N
521
+ ATOM 521 O TYR A 63 43.431 -9.173 12.458 1.00 93.03 O
522
+ ATOM 522 OH TYR A 63 37.135 -9.433 6.617 1.00 90.99 O
523
+ ATOM 523 C ARG A 64 44.061 -6.061 13.491 1.00 92.85 C
524
+ ATOM 524 CA ARG A 64 44.829 -6.788 12.391 1.00 92.81 C
525
+ ATOM 525 CB ARG A 64 45.867 -5.851 11.769 1.00 91.53 C
526
+ ATOM 526 CD ARG A 64 47.716 -5.530 10.089 1.00 78.83 C
527
+ ATOM 527 CG ARG A 64 46.775 -6.526 10.752 1.00 83.89 C
528
+ ATOM 528 CZ ARG A 64 47.553 -3.569 8.592 1.00 69.19 C
529
+ ATOM 529 N ARG A 64 43.922 -7.300 11.369 1.00 93.07 N
530
+ ATOM 530 NE ARG A 64 46.991 -4.577 9.254 1.00 71.50 N
531
+ ATOM 531 NH1 ARG A 64 48.863 -3.363 8.655 1.00 52.11 N
532
+ ATOM 532 NH2 ARG A 64 46.800 -2.761 7.861 1.00 47.19 N
533
+ ATOM 533 O ARG A 64 44.517 -5.997 14.634 1.00 91.95 O
534
+ ATOM 534 C ASP A 65 40.700 -4.655 13.614 1.00 94.34 C
535
+ ATOM 535 CA ASP A 65 42.150 -4.747 14.083 1.00 93.84 C
536
+ ATOM 536 CB ASP A 65 42.715 -3.346 14.327 1.00 93.12 C
537
+ ATOM 537 CG ASP A 65 42.876 -2.541 13.049 1.00 90.59 C
538
+ ATOM 538 N ASP A 65 42.971 -5.468 13.114 1.00 93.62 N
539
+ ATOM 539 O ASP A 65 40.365 -5.118 12.521 1.00 94.14 O
540
+ ATOM 540 OD1 ASP A 65 42.053 -2.697 12.122 1.00 88.39 O
541
+ ATOM 541 OD2 ASP A 65 43.836 -1.745 12.968 1.00 87.53 O
542
+ ATOM 542 C ALA A 66 38.194 -3.158 12.962 1.00 95.22 C
543
+ ATOM 543 CA ALA A 66 38.452 -4.030 14.187 1.00 95.08 C
544
+ ATOM 544 CB ALA A 66 37.725 -3.462 15.404 1.00 94.40 C
545
+ ATOM 545 N ALA A 66 39.882 -4.147 14.457 1.00 94.83 N
546
+ ATOM 546 O ALA A 66 37.218 -3.366 12.238 1.00 94.98 O
547
+ ATOM 547 C GLN A 67 38.971 -1.979 10.215 1.00 95.55 C
548
+ ATOM 548 CA GLN A 67 38.865 -1.245 11.548 1.00 95.27 C
549
+ ATOM 549 CB GLN A 67 39.889 -0.111 11.606 1.00 94.02 C
550
+ ATOM 550 CD GLN A 67 40.689 1.981 12.787 1.00 73.38 C
551
+ ATOM 551 CG GLN A 67 39.653 0.874 12.743 1.00 80.63 C
552
+ ATOM 552 N GLN A 67 39.049 -2.161 12.668 1.00 95.29 N
553
+ ATOM 553 NE2 GLN A 67 40.434 3.001 13.599 1.00 58.11 N
554
+ ATOM 554 O GLN A 67 38.200 -1.714 9.290 1.00 95.30 O
555
+ ATOM 555 OE1 GLN A 67 41.711 1.920 12.095 1.00 67.09 O
556
+ ATOM 556 C GLU A 68 38.821 -4.539 8.644 1.00 95.80 C
557
+ ATOM 557 CA GLU A 68 40.057 -3.677 8.886 1.00 95.62 C
558
+ ATOM 558 CB GLU A 68 41.309 -4.556 8.941 1.00 94.92 C
559
+ ATOM 559 CD GLU A 68 43.839 -4.674 8.752 1.00 84.58 C
560
+ ATOM 560 CG GLU A 68 42.611 -3.780 8.799 1.00 89.71 C
561
+ ATOM 561 N GLU A 68 39.924 -2.895 10.112 1.00 95.58 N
562
+ ATOM 562 O GLU A 68 38.341 -4.643 7.514 1.00 95.60 O
563
+ ATOM 563 OE1 GLU A 68 43.689 -5.917 8.793 1.00 82.19 O
564
+ ATOM 564 OE2 GLU A 68 44.963 -4.128 8.674 1.00 80.52 O
565
+ ATOM 565 C PHE A 69 35.948 -5.050 9.207 1.00 96.41 C
566
+ ATOM 566 CA PHE A 69 37.103 -5.917 9.690 1.00 96.32 C
567
+ ATOM 567 CB PHE A 69 36.765 -6.531 11.053 1.00 96.19 C
568
+ ATOM 568 CD1 PHE A 69 34.961 -8.236 10.638 1.00 95.22 C
569
+ ATOM 569 CD2 PHE A 69 34.385 -6.229 11.802 1.00 95.07 C
570
+ ATOM 570 CE1 PHE A 69 33.645 -8.680 10.742 1.00 94.18 C
571
+ ATOM 571 CE2 PHE A 69 33.067 -6.666 11.910 1.00 94.34 C
572
+ ATOM 572 CG PHE A 69 35.342 -7.008 11.167 1.00 95.90 C
573
+ ATOM 573 CZ PHE A 69 32.699 -7.891 11.378 1.00 93.82 C
574
+ ATOM 574 N PHE A 69 38.335 -5.142 9.769 1.00 96.18 N
575
+ ATOM 575 O PHE A 69 35.242 -5.416 8.265 1.00 96.29 O
576
+ ATOM 576 C ALA A 70 34.793 -2.524 8.025 1.00 97.09 C
577
+ ATOM 577 CA ALA A 70 34.692 -3.013 9.467 1.00 97.04 C
578
+ ATOM 578 CB ALA A 70 34.651 -1.825 10.426 1.00 96.70 C
579
+ ATOM 579 N ALA A 70 35.804 -3.898 9.800 1.00 97.06 N
580
+ ATOM 580 O ALA A 70 33.778 -2.380 7.340 1.00 96.95 O
581
+ ATOM 581 C ALA A 71 35.727 -2.849 5.156 1.00 97.27 C
582
+ ATOM 582 CA ALA A 71 36.232 -1.814 6.157 1.00 97.19 C
583
+ ATOM 583 CB ALA A 71 37.708 -1.517 5.912 1.00 96.80 C
584
+ ATOM 584 N ALA A 71 36.024 -2.267 7.530 1.00 97.24 N
585
+ ATOM 585 O ALA A 71 35.094 -2.499 4.157 1.00 97.16 O
586
+ ATOM 586 C ASP A 72 33.976 -5.298 4.539 1.00 97.63 C
587
+ ATOM 587 CA ASP A 72 35.500 -5.201 4.528 1.00 97.52 C
588
+ ATOM 588 CB ASP A 72 36.117 -6.546 4.915 1.00 97.31 C
589
+ ATOM 589 CG ASP A 72 37.539 -6.714 4.411 1.00 96.43 C
590
+ ATOM 590 N ASP A 72 35.964 -4.147 5.427 1.00 97.51 N
591
+ ATOM 591 O ASP A 72 33.350 -5.442 3.487 1.00 97.53 O
592
+ ATOM 592 OD1 ASP A 72 38.031 -5.835 3.669 1.00 94.26 O
593
+ ATOM 593 OD2 ASP A 72 38.173 -7.735 4.755 1.00 93.74 O
594
+ ATOM 594 C VAL A 73 31.283 -4.104 5.163 1.00 97.77 C
595
+ ATOM 595 CA VAL A 73 31.926 -5.314 5.838 1.00 97.71 C
596
+ ATOM 596 CB VAL A 73 31.449 -5.422 7.304 1.00 97.55 C
597
+ ATOM 597 CG1 VAL A 73 29.922 -5.423 7.376 1.00 96.19 C
598
+ ATOM 598 CG2 VAL A 73 32.019 -6.679 7.958 1.00 96.17 C
599
+ ATOM 599 N VAL A 73 33.380 -5.210 5.754 1.00 97.78 N
600
+ ATOM 600 O VAL A 73 30.321 -4.248 4.404 1.00 97.62 O
601
+ ATOM 601 C ARG A 74 31.520 -1.732 3.168 1.00 97.85 C
602
+ ATOM 602 CA ARG A 74 31.302 -1.708 4.678 1.00 97.86 C
603
+ ATOM 603 CB ARG A 74 31.935 -0.450 5.278 1.00 97.66 C
604
+ ATOM 604 CD ARG A 74 32.176 1.075 7.268 1.00 95.79 C
605
+ ATOM 605 CG ARG A 74 31.436 -0.116 6.675 1.00 96.92 C
606
+ ATOM 606 CZ ARG A 74 32.540 1.659 9.643 1.00 91.48 C
607
+ ATOM 607 N ARG A 74 31.847 -2.907 5.306 1.00 97.89 N
608
+ ATOM 608 NE ARG A 74 31.732 1.361 8.629 1.00 94.70 N
609
+ ATOM 609 NH1 ARG A 74 33.856 1.715 9.468 1.00 89.38 N
610
+ ATOM 610 NH2 ARG A 74 32.030 1.903 10.842 1.00 88.41 N
611
+ ATOM 611 O ARG A 74 30.711 -1.191 2.411 1.00 97.70 O
612
+ ATOM 612 C LEU A 75 31.794 -3.372 0.661 1.00 98.09 C
613
+ ATOM 613 CA LEU A 75 32.890 -2.524 1.296 1.00 98.07 C
614
+ ATOM 614 CB LEU A 75 34.257 -3.166 1.048 1.00 97.87 C
615
+ ATOM 615 CD1 LEU A 75 34.664 -2.139 -1.203 1.00 92.92 C
616
+ ATOM 616 CD2 LEU A 75 35.958 -4.171 -0.501 1.00 92.48 C
617
+ ATOM 617 CG LEU A 75 34.622 -3.441 -0.412 1.00 96.53 C
618
+ ATOM 618 N LEU A 75 32.656 -2.356 2.727 1.00 98.11 N
619
+ ATOM 619 O LEU A 75 31.327 -3.068 -0.439 1.00 97.94 O
620
+ ATOM 620 C MET A 76 29.018 -4.463 0.689 1.00 97.95 C
621
+ ATOM 621 CA MET A 76 30.284 -5.276 0.939 1.00 97.94 C
622
+ ATOM 622 CB MET A 76 30.000 -6.389 1.951 1.00 97.61 C
623
+ ATOM 623 CE MET A 76 27.593 -7.226 4.083 1.00 79.90 C
624
+ ATOM 624 CG MET A 76 28.827 -7.277 1.571 1.00 94.15 C
625
+ ATOM 625 N MET A 76 31.369 -4.419 1.409 1.00 98.00 N
626
+ ATOM 626 O MET A 76 28.397 -4.584 -0.368 1.00 97.71 O
627
+ ATOM 627 SD MET A 76 28.337 -8.411 2.928 1.00 87.77 S
628
+ ATOM 628 C PHE A 77 27.638 -1.738 0.338 1.00 97.67 C
629
+ ATOM 629 CA PHE A 77 27.432 -2.766 1.443 1.00 97.71 C
630
+ ATOM 630 CB PHE A 77 27.084 -2.060 2.758 1.00 97.52 C
631
+ ATOM 631 CD1 PHE A 77 25.697 -3.947 3.678 1.00 95.34 C
632
+ ATOM 632 CD2 PHE A 77 27.333 -2.938 5.100 1.00 95.08 C
633
+ ATOM 633 CE1 PHE A 77 25.337 -4.818 4.703 1.00 93.80 C
634
+ ATOM 634 CE2 PHE A 77 26.979 -3.805 6.129 1.00 93.14 C
635
+ ATOM 635 CG PHE A 77 26.697 -3.001 3.867 1.00 96.80 C
636
+ ATOM 636 CZ PHE A 77 25.980 -4.744 5.929 1.00 92.72 C
637
+ ATOM 637 N PHE A 77 28.619 -3.597 1.604 1.00 97.75 N
638
+ ATOM 638 O PHE A 77 26.757 -1.536 -0.502 1.00 97.42 O
639
+ ATOM 639 C SER A 78 29.052 -0.614 -2.095 1.00 97.71 C
640
+ ATOM 640 CA SER A 78 29.122 -0.040 -0.685 1.00 97.72 C
641
+ ATOM 641 CB SER A 78 30.502 0.575 -0.443 1.00 97.13 C
642
+ ATOM 642 N SER A 78 28.835 -1.061 0.318 1.00 97.84 N
643
+ ATOM 643 O SER A 78 28.527 0.028 -3.007 1.00 97.47 O
644
+ ATOM 644 OG SER A 78 30.527 1.291 0.780 1.00 68.25 O
645
+ ATOM 645 C ASN A 79 27.977 -2.702 -3.993 1.00 97.95 C
646
+ ATOM 646 CA ASN A 79 29.434 -2.518 -3.580 1.00 97.98 C
647
+ ATOM 647 CB ASN A 79 30.153 -3.869 -3.552 1.00 97.84 C
648
+ ATOM 648 CG ASN A 79 31.661 -3.726 -3.501 1.00 97.05 C
649
+ ATOM 649 N ASN A 79 29.545 -1.852 -2.286 1.00 98.00 N
650
+ ATOM 650 ND2 ASN A 79 32.342 -4.786 -3.080 1.00 95.52 N
651
+ ATOM 651 O ASN A 79 27.631 -2.522 -5.162 1.00 97.75 O
652
+ ATOM 652 OD1 ASN A 79 32.210 -2.674 -3.839 1.00 94.95 O
653
+ ATOM 653 C CYS A 80 25.141 -1.917 -3.759 1.00 97.13 C
654
+ ATOM 654 CA CYS A 80 25.758 -3.233 -3.302 1.00 97.28 C
655
+ ATOM 655 CB CYS A 80 25.020 -3.751 -2.068 1.00 97.09 C
656
+ ATOM 656 N CYS A 80 27.179 -3.071 -3.017 1.00 97.37 N
657
+ ATOM 657 O CYS A 80 24.421 -1.878 -4.759 1.00 96.69 O
658
+ ATOM 658 SG CYS A 80 23.232 -3.874 -2.287 1.00 96.48 S
659
+ ATOM 659 C TYR A 81 25.429 0.947 -4.786 1.00 96.95 C
660
+ ATOM 660 CA TYR A 81 24.903 0.460 -3.441 1.00 97.14 C
661
+ ATOM 661 CB TYR A 81 25.249 1.474 -2.347 1.00 96.94 C
662
+ ATOM 662 CD1 TYR A 81 23.550 0.372 -0.838 1.00 94.77 C
663
+ ATOM 663 CD2 TYR A 81 25.425 1.456 0.169 1.00 94.50 C
664
+ ATOM 664 CE1 TYR A 81 23.069 0.022 0.419 1.00 93.66 C
665
+ ATOM 665 CE2 TYR A 81 24.954 1.111 1.432 1.00 93.20 C
666
+ ATOM 666 CG TYR A 81 24.733 1.094 -0.981 1.00 96.20 C
667
+ ATOM 667 CZ TYR A 81 23.777 0.394 1.547 1.00 92.58 C
668
+ ATOM 668 N TYR A 81 25.446 -0.853 -3.113 1.00 97.19 N
669
+ ATOM 669 O TYR A 81 24.708 1.606 -5.540 1.00 96.53 O
670
+ ATOM 670 OH TYR A 81 23.306 0.049 2.793 1.00 91.55 O
671
+ ATOM 671 C LYS A 82 26.659 0.395 -7.487 1.00 97.30 C
672
+ ATOM 672 CA LYS A 82 27.254 1.098 -6.271 1.00 97.40 C
673
+ ATOM 673 CB LYS A 82 28.764 0.860 -6.214 1.00 96.96 C
674
+ ATOM 674 CD LYS A 82 31.019 1.171 -7.290 1.00 86.33 C
675
+ ATOM 675 CE LYS A 82 31.770 1.659 -8.522 1.00 79.20 C
676
+ ATOM 676 CG LYS A 82 29.515 1.358 -7.442 1.00 92.66 C
677
+ ATOM 677 N LYS A 82 26.617 0.643 -5.037 1.00 97.53 N
678
+ ATOM 678 NZ LYS A 82 33.244 1.462 -8.385 1.00 73.62 N
679
+ ATOM 679 O LYS A 82 26.456 1.018 -8.532 1.00 96.91 O
680
+ ATOM 680 C TYR A 83 24.471 -1.550 -8.807 1.00 96.98 C
681
+ ATOM 681 CA TYR A 83 25.975 -1.622 -8.573 1.00 97.12 C
682
+ ATOM 682 CB TYR A 83 26.407 -3.080 -8.387 1.00 96.90 C
683
+ ATOM 683 CD1 TYR A 83 26.931 -3.853 -10.733 1.00 95.07 C
684
+ ATOM 684 CD2 TYR A 83 25.097 -4.870 -9.589 1.00 94.89 C
685
+ ATOM 685 CE1 TYR A 83 26.688 -4.652 -11.846 1.00 93.90 C
686
+ ATOM 686 CE2 TYR A 83 24.845 -5.674 -10.697 1.00 93.75 C
687
+ ATOM 687 CG TYR A 83 26.140 -3.950 -9.591 1.00 96.26 C
688
+ ATOM 688 CZ TYR A 83 25.645 -5.557 -11.818 1.00 93.14 C
689
+ ATOM 689 N TYR A 83 26.363 -0.822 -7.416 1.00 97.13 N
690
+ ATOM 690 O TYR A 83 24.013 -1.571 -9.952 1.00 96.51 O
691
+ ATOM 691 OH TYR A 83 25.399 -6.351 -12.917 1.00 92.03 O
692
+ ATOM 692 C ASN A 84 21.541 -0.218 -7.793 1.00 96.05 C
693
+ ATOM 693 CA ASN A 84 22.208 -1.587 -7.885 1.00 96.26 C
694
+ ATOM 694 CB ASN A 84 21.654 -2.521 -6.808 1.00 95.88 C
695
+ ATOM 695 CG ASN A 84 22.242 -3.916 -6.885 1.00 94.51 C
696
+ ATOM 696 N ASN A 84 23.660 -1.484 -7.776 1.00 96.28 N
697
+ ATOM 697 ND2 ASN A 84 23.195 -4.208 -6.008 1.00 92.55 N
698
+ ATOM 698 O ASN A 84 22.030 0.670 -7.093 1.00 95.49 O
699
+ ATOM 699 OD1 ASN A 84 21.843 -4.724 -7.727 1.00 92.45 O
700
+ ATOM 700 C PRO A 85 19.122 1.228 -6.956 1.00 95.66 C
701
+ ATOM 701 CA PRO A 85 19.704 1.116 -8.363 1.00 95.64 C
702
+ ATOM 702 CB PRO A 85 18.590 0.989 -9.406 1.00 94.86 C
703
+ ATOM 703 CD PRO A 85 19.826 -1.105 -9.444 1.00 90.41 C
704
+ ATOM 704 CG PRO A 85 18.481 -0.478 -9.672 1.00 91.74 C
705
+ ATOM 705 N PRO A 85 20.488 -0.106 -8.556 1.00 95.72 N
706
+ ATOM 706 O PRO A 85 18.880 0.210 -6.302 1.00 95.25 O
707
+ ATOM 707 C PRO A 86 17.182 1.991 -4.806 1.00 94.59 C
708
+ ATOM 708 CA PRO A 86 18.507 2.664 -5.159 1.00 95.29 C
709
+ ATOM 709 CB PRO A 86 18.379 4.189 -5.095 1.00 94.36 C
710
+ ATOM 710 CD PRO A 86 19.317 3.681 -7.281 1.00 91.18 C
711
+ ATOM 711 CG PRO A 86 19.284 4.693 -6.172 1.00 92.05 C
712
+ ATOM 712 N PRO A 86 18.915 2.417 -6.543 1.00 95.37 N
713
+ ATOM 713 O PRO A 86 16.924 1.704 -3.635 1.00 93.38 O
714
+ ATOM 714 C ASP A 87 14.998 -0.397 -5.603 1.00 94.43 C
715
+ ATOM 715 CA ASP A 87 14.981 1.125 -5.484 1.00 94.80 C
716
+ ATOM 716 CB ASP A 87 13.926 1.715 -6.421 1.00 93.34 C
717
+ ATOM 717 CG ASP A 87 14.217 1.443 -7.887 1.00 86.27 C
718
+ ATOM 718 N ASP A 87 16.297 1.688 -5.774 1.00 95.04 N
719
+ ATOM 719 O ASP A 87 13.964 -1.048 -5.442 1.00 93.23 O
720
+ ATOM 720 OD1 ASP A 87 15.376 1.122 -8.230 1.00 79.49 O
721
+ ATOM 721 OD2 ASP A 87 13.281 1.555 -8.707 1.00 82.17 O
722
+ ATOM 722 C HIS A 88 16.091 -3.034 -4.570 1.00 95.19 C
723
+ ATOM 723 CA HIS A 88 16.253 -2.416 -5.955 1.00 95.16 C
724
+ ATOM 724 CB HIS A 88 17.594 -2.832 -6.562 1.00 94.50 C
725
+ ATOM 725 CD2 HIS A 88 17.514 -4.695 -8.364 1.00 84.84 C
726
+ ATOM 726 CE1 HIS A 88 17.693 -6.427 -7.032 1.00 83.28 C
727
+ ATOM 727 CG HIS A 88 17.604 -4.228 -7.097 1.00 90.81 C
728
+ ATOM 728 N HIS A 88 16.145 -0.962 -5.901 1.00 95.19 N
729
+ ATOM 729 ND1 HIS A 88 17.715 -5.336 -6.284 1.00 83.29 N
730
+ ATOM 730 NE2 HIS A 88 17.572 -6.065 -8.298 1.00 84.90 N
731
+ ATOM 731 O HIS A 88 16.565 -2.475 -3.578 1.00 94.62 O
732
+ ATOM 732 C ASP A 89 16.391 -5.096 -2.498 1.00 95.33 C
733
+ ATOM 733 CA ASP A 89 15.106 -4.817 -3.276 1.00 94.95 C
734
+ ATOM 734 CB ASP A 89 14.348 -6.121 -3.525 1.00 93.46 C
735
+ ATOM 735 CG ASP A 89 12.887 -5.900 -3.876 1.00 83.40 C
736
+ ATOM 736 N ASP A 89 15.394 -4.144 -4.539 1.00 94.87 N
737
+ ATOM 737 O ASP A 89 16.419 -4.969 -1.272 1.00 95.00 O
738
+ ATOM 738 OD1 ASP A 89 12.411 -4.747 -3.808 1.00 73.69 O
739
+ ATOM 739 OD2 ASP A 89 12.205 -6.890 -4.221 1.00 80.23 O
740
+ ATOM 740 C VAL A 90 19.320 -4.616 -1.759 1.00 96.43 C
741
+ ATOM 741 CA VAL A 90 18.723 -5.832 -2.463 1.00 96.25 C
742
+ ATOM 742 CB VAL A 90 19.751 -6.439 -3.443 1.00 95.74 C
743
+ ATOM 743 CG1 VAL A 90 20.374 -5.349 -4.314 1.00 91.49 C
744
+ ATOM 744 CG2 VAL A 90 20.832 -7.201 -2.678 1.00 91.28 C
745
+ ATOM 745 N VAL A 90 17.490 -5.453 -3.145 1.00 96.14 N
746
+ ATOM 746 O VAL A 90 20.021 -4.755 -0.754 1.00 96.19 O
747
+ ATOM 747 C VAL A 91 18.842 -2.011 -0.254 1.00 96.67 C
748
+ ATOM 748 CA VAL A 91 19.565 -2.205 -1.585 1.00 96.74 C
749
+ ATOM 749 CB VAL A 91 19.374 -0.961 -2.481 1.00 96.41 C
750
+ ATOM 750 CG1 VAL A 91 19.630 0.319 -1.690 1.00 93.96 C
751
+ ATOM 751 CG2 VAL A 91 20.295 -1.035 -3.698 1.00 93.78 C
752
+ ATOM 752 N VAL A 91 19.081 -3.417 -2.238 1.00 96.79 N
753
+ ATOM 753 O VAL A 91 19.461 -1.643 0.747 1.00 96.38 O
754
+ ATOM 754 C ALA A 92 17.255 -3.211 1.965 1.00 95.90 C
755
+ ATOM 755 CA ALA A 92 16.749 -2.181 0.958 1.00 95.92 C
756
+ ATOM 756 CB ALA A 92 15.259 -2.385 0.698 1.00 95.33 C
757
+ ATOM 757 N ALA A 92 17.500 -2.257 -0.292 1.00 96.00 N
758
+ ATOM 758 O ALA A 92 17.380 -2.916 3.155 1.00 95.54 O
759
+ ATOM 759 C MET A 93 19.475 -5.029 2.943 1.00 96.64 C
760
+ ATOM 760 CA MET A 93 18.118 -5.433 2.376 1.00 96.60 C
761
+ ATOM 761 CB MET A 93 18.246 -6.744 1.597 1.00 96.21 C
762
+ ATOM 762 CE MET A 93 17.728 -10.035 1.086 1.00 86.85 C
763
+ ATOM 763 CG MET A 93 16.911 -7.361 1.212 1.00 94.09 C
764
+ ATOM 764 N MET A 93 17.575 -4.380 1.523 1.00 96.51 N
765
+ ATOM 765 O MET A 93 19.732 -5.206 4.135 1.00 96.44 O
766
+ ATOM 766 SD MET A 93 17.092 -8.728 0.001 1.00 93.21 S
767
+ ATOM 767 C ALA A 94 21.519 -2.968 3.590 1.00 97.28 C
768
+ ATOM 768 CA ALA A 94 21.639 -4.040 2.511 1.00 97.28 C
769
+ ATOM 769 CB ALA A 94 22.424 -3.501 1.316 1.00 97.02 C
770
+ ATOM 770 N ALA A 94 20.322 -4.506 2.085 1.00 97.28 N
771
+ ATOM 771 O ALA A 94 22.265 -2.980 4.572 1.00 97.06 O
772
+ ATOM 772 C ARG A 95 20.010 -1.531 5.803 1.00 96.60 C
773
+ ATOM 773 CA ARG A 95 20.401 -0.967 4.441 1.00 96.66 C
774
+ ATOM 774 CB ARG A 95 19.349 0.039 3.967 1.00 95.93 C
775
+ ATOM 775 CD ARG A 95 18.774 1.976 2.464 1.00 80.19 C
776
+ ATOM 776 CG ARG A 95 19.815 0.925 2.824 1.00 87.18 C
777
+ ATOM 777 CZ ARG A 95 18.554 3.818 0.830 1.00 69.43 C
778
+ ATOM 778 N ARG A 95 20.567 -2.034 3.460 1.00 96.81 N
779
+ ATOM 779 NE ARG A 95 19.132 2.695 1.245 1.00 77.27 N
780
+ ATOM 780 NH1 ARG A 95 17.573 4.375 1.531 1.00 60.23 N
781
+ ATOM 781 NH2 ARG A 95 18.958 4.390 -0.295 1.00 53.64 N
782
+ ATOM 782 O ARG A 95 20.523 -1.090 6.833 1.00 96.21 O
783
+ ATOM 783 C LYS A 96 19.881 -3.819 7.713 1.00 96.13 C
784
+ ATOM 784 CA LYS A 96 18.702 -3.125 7.037 1.00 96.01 C
785
+ ATOM 785 CB LYS A 96 17.571 -4.127 6.799 1.00 94.90 C
786
+ ATOM 786 CD LYS A 96 15.153 -4.529 6.226 1.00 75.16 C
787
+ ATOM 787 CE LYS A 96 13.828 -3.887 5.840 1.00 66.03 C
788
+ ATOM 788 CG LYS A 96 16.233 -3.482 6.465 1.00 81.61 C
789
+ ATOM 789 N LYS A 96 19.109 -2.504 5.779 1.00 96.15 N
790
+ ATOM 790 NZ LYS A 96 12.766 -4.910 5.595 1.00 59.56 N
791
+ ATOM 791 O LYS A 96 20.095 -3.656 8.916 1.00 95.78 O
792
+ ATOM 792 C LEU A 97 22.834 -4.397 7.934 1.00 96.86 C
793
+ ATOM 793 CA LEU A 97 21.738 -5.346 7.465 1.00 96.75 C
794
+ ATOM 794 CB LEU A 97 22.301 -6.324 6.430 1.00 96.24 C
795
+ ATOM 795 CD1 LEU A 97 22.585 -8.234 8.029 1.00 81.52 C
796
+ ATOM 796 CD2 LEU A 97 23.769 -8.267 5.817 1.00 80.50 C
797
+ ATOM 797 CG LEU A 97 23.265 -7.388 6.957 1.00 92.15 C
798
+ ATOM 798 N LEU A 97 20.611 -4.605 6.907 1.00 96.76 N
799
+ ATOM 799 O LEU A 97 23.462 -4.630 8.970 1.00 96.61 O
800
+ ATOM 800 C GLN A 98 23.707 -1.654 8.899 1.00 97.08 C
801
+ ATOM 801 CA GLN A 98 24.075 -2.324 7.578 1.00 97.18 C
802
+ ATOM 802 CB GLN A 98 24.230 -1.270 6.481 1.00 96.84 C
803
+ ATOM 803 CD GLN A 98 25.563 0.696 5.604 1.00 91.33 C
804
+ ATOM 804 CG GLN A 98 25.287 -0.216 6.785 1.00 94.62 C
805
+ ATOM 805 N GLN A 98 23.079 -3.318 7.196 1.00 97.26 N
806
+ ATOM 806 NE2 GLN A 98 26.157 1.853 5.874 1.00 89.62 N
807
+ ATOM 807 O GLN A 98 24.580 -1.364 9.718 1.00 96.75 O
808
+ ATOM 808 OE1 GLN A 98 25.246 0.362 4.457 1.00 89.50 O
809
+ ATOM 809 C ASP A 99 22.338 -1.715 11.566 1.00 96.11 C
810
+ ATOM 810 CA ASP A 99 21.995 -0.795 10.396 1.00 96.17 C
811
+ ATOM 811 CB ASP A 99 20.490 -0.514 10.373 1.00 95.51 C
812
+ ATOM 812 CG ASP A 99 20.122 0.673 9.500 1.00 90.19 C
813
+ ATOM 813 N ASP A 99 22.427 -1.376 9.128 1.00 96.27 N
814
+ ATOM 814 O ASP A 99 22.807 -1.252 12.609 1.00 95.75 O
815
+ ATOM 815 OD1 ASP A 99 21.023 1.454 9.121 1.00 80.59 O
816
+ ATOM 816 OD2 ASP A 99 18.921 0.832 9.192 1.00 83.70 O
817
+ ATOM 817 C VAL A 100 23.947 -3.946 12.660 1.00 96.06 C
818
+ ATOM 818 CA VAL A 100 22.445 -4.000 12.382 1.00 95.94 C
819
+ ATOM 819 CB VAL A 100 22.028 -5.433 11.984 1.00 95.41 C
820
+ ATOM 820 CG1 VAL A 100 22.593 -6.453 12.971 1.00 91.97 C
821
+ ATOM 821 CG2 VAL A 100 20.507 -5.543 11.907 1.00 91.76 C
822
+ ATOM 822 N VAL A 100 22.101 -3.033 11.345 1.00 95.97 N
823
+ ATOM 823 O VAL A 100 24.367 -3.863 13.816 1.00 95.81 O
824
+ ATOM 824 C PHE A 101 26.651 -2.682 12.410 1.00 96.67 C
825
+ ATOM 825 CA PHE A 101 26.182 -3.937 11.684 1.00 96.70 C
826
+ ATOM 826 CB PHE A 101 26.837 -4.020 10.301 1.00 96.62 C
827
+ ATOM 827 CD1 PHE A 101 29.241 -4.551 10.822 1.00 95.74 C
828
+ ATOM 828 CD2 PHE A 101 28.737 -2.459 9.780 1.00 95.52 C
829
+ ATOM 829 CE1 PHE A 101 30.596 -4.230 10.823 1.00 94.78 C
830
+ ATOM 830 CE2 PHE A 101 30.090 -2.131 9.778 1.00 94.84 C
831
+ ATOM 831 CG PHE A 101 28.301 -3.670 10.301 1.00 96.31 C
832
+ ATOM 832 CZ PHE A 101 31.017 -3.018 10.301 1.00 94.21 C
833
+ ATOM 833 N PHE A 101 24.729 -3.955 11.564 1.00 96.66 N
834
+ ATOM 834 O PHE A 101 27.419 -2.765 13.371 1.00 96.42 O
835
+ ATOM 835 C GLU A 102 26.288 -0.095 13.992 1.00 96.44 C
836
+ ATOM 836 CA GLU A 102 26.707 -0.244 12.532 1.00 96.64 C
837
+ ATOM 837 CB GLU A 102 26.210 0.952 11.717 1.00 96.36 C
838
+ ATOM 838 CD GLU A 102 28.269 1.192 10.248 1.00 94.11 C
839
+ ATOM 839 CG GLU A 102 26.761 1.002 10.299 1.00 95.49 C
840
+ ATOM 840 N GLU A 102 26.210 -1.494 11.964 1.00 96.73 N
841
+ ATOM 841 O GLU A 102 27.051 0.417 14.813 1.00 96.02 O
842
+ ATOM 842 OE1 GLU A 102 28.883 1.460 11.305 1.00 92.13 O
843
+ ATOM 843 OE2 GLU A 102 28.840 1.073 9.141 1.00 92.57 O
844
+ ATOM 844 C PHE A 103 25.495 -1.334 16.576 1.00 95.85 C
845
+ ATOM 845 CA PHE A 103 24.599 -0.496 15.673 1.00 95.92 C
846
+ ATOM 846 CB PHE A 103 23.152 -0.991 15.761 1.00 95.30 C
847
+ ATOM 847 CD1 PHE A 103 22.158 0.203 17.740 1.00 81.88 C
848
+ ATOM 848 CD2 PHE A 103 22.499 -2.159 17.890 1.00 81.25 C
849
+ ATOM 849 CE1 PHE A 103 21.638 0.215 19.032 1.00 80.83 C
850
+ ATOM 850 CE2 PHE A 103 21.981 -2.155 19.181 1.00 79.32 C
851
+ ATOM 851 CG PHE A 103 22.591 -0.982 17.158 1.00 90.94 C
852
+ ATOM 852 CZ PHE A 103 21.552 -0.967 19.752 1.00 78.72 C
853
+ ATOM 853 N PHE A 103 25.071 -0.536 14.294 1.00 96.01 N
854
+ ATOM 854 O PHE A 103 25.917 -0.877 17.639 1.00 95.41 O
855
+ ATOM 855 C ARG A 104 28.102 -2.930 16.997 1.00 95.60 C
856
+ ATOM 856 CA ARG A 104 26.655 -3.408 16.952 1.00 95.61 C
857
+ ATOM 857 CB ARG A 104 26.591 -4.838 16.409 1.00 94.88 C
858
+ ATOM 858 CD ARG A 104 24.822 -5.643 18.011 1.00 83.86 C
859
+ ATOM 859 CG ARG A 104 25.225 -5.489 16.550 1.00 89.64 C
860
+ ATOM 860 CZ ARG A 104 22.974 -6.662 19.300 1.00 74.97 C
861
+ ATOM 861 N ARG A 104 25.833 -2.515 16.141 1.00 95.71 N
862
+ ATOM 862 NE ARG A 104 23.620 -6.460 18.154 1.00 80.31 N
863
+ ATOM 863 NH1 ARG A 104 23.404 -6.107 20.428 1.00 64.45 N
864
+ ATOM 864 NH2 ARG A 104 21.891 -7.424 19.318 1.00 59.43 N
865
+ ATOM 865 O ARG A 104 28.757 -3.018 18.037 1.00 95.15 O
866
+ ATOM 866 C TYR A 105 30.163 -0.813 16.771 1.00 95.90 C
867
+ ATOM 867 CA TYR A 105 29.960 -2.006 15.844 1.00 96.17 C
868
+ ATOM 868 CB TYR A 105 30.307 -1.614 14.405 1.00 96.01 C
869
+ ATOM 869 CD1 TYR A 105 32.726 -2.250 14.053 1.00 94.44 C
870
+ ATOM 870 CD2 TYR A 105 32.172 0.070 14.173 1.00 94.03 C
871
+ ATOM 871 CE1 TYR A 105 34.067 -1.928 13.872 1.00 93.43 C
872
+ ATOM 872 CE2 TYR A 105 33.510 0.405 13.992 1.00 93.38 C
873
+ ATOM 873 CG TYR A 105 31.761 -1.258 14.206 1.00 95.55 C
874
+ ATOM 874 CZ TYR A 105 34.448 -0.601 13.842 1.00 92.67 C
875
+ ATOM 875 N TYR A 105 28.590 -2.502 15.925 1.00 96.18 N
876
+ ATOM 876 O TYR A 105 31.237 -0.649 17.354 1.00 95.34 O
877
+ ATOM 877 OH TYR A 105 35.774 -0.275 13.662 1.00 90.62 O
878
+ ATOM 878 C ALA A 106 29.348 0.830 19.239 1.00 95.32 C
879
+ ATOM 879 CA ALA A 106 29.203 1.207 17.768 1.00 95.79 C
880
+ ATOM 880 CB ALA A 106 27.960 2.070 17.563 1.00 95.00 C
881
+ ATOM 881 N ALA A 106 29.141 0.018 16.924 1.00 96.02 N
882
+ ATOM 882 O ALA A 106 29.764 1.652 20.059 1.00 94.20 O
883
+ ATOM 883 C LYS A 107 30.474 -1.461 21.292 1.00 93.93 C
884
+ ATOM 884 CA LYS A 107 29.114 -0.838 20.989 1.00 94.66 C
885
+ ATOM 885 CB LYS A 107 28.001 -1.847 21.278 1.00 93.42 C
886
+ ATOM 886 CD LYS A 107 25.540 -2.293 21.555 1.00 80.56 C
887
+ ATOM 887 CE LYS A 107 24.144 -1.683 21.563 1.00 73.75 C
888
+ ATOM 888 CG LYS A 107 26.598 -1.266 21.176 1.00 86.34 C
889
+ ATOM 889 N LYS A 107 29.043 -0.376 19.607 1.00 95.03 N
890
+ ATOM 890 NZ LYS A 107 23.114 -2.663 22.019 1.00 67.00 N
891
+ ATOM 891 O LYS A 107 30.635 -2.157 22.297 1.00 91.96 O
892
+ ATOM 892 C MET A 108 33.342 -1.372 21.903 1.00 91.37 C
893
+ ATOM 893 CA MET A 108 32.716 -1.794 20.579 1.00 92.49 C
894
+ ATOM 894 CB MET A 108 33.609 -1.358 19.416 1.00 90.61 C
895
+ ATOM 895 CE MET A 108 34.208 -3.553 17.113 1.00 72.98 C
896
+ ATOM 896 CG MET A 108 34.949 -2.074 19.371 1.00 83.46 C
897
+ ATOM 897 N MET A 108 31.375 -1.234 20.434 1.00 92.90 N
898
+ ATOM 898 O MET A 108 33.291 -0.197 22.272 1.00 88.86 O
899
+ ATOM 899 SD MET A 108 34.798 -3.815 18.808 1.00 78.26 S
900
+ ATOM 900 C PRO A 109 35.845 -1.122 23.752 1.00 84.60 C
901
+ ATOM 901 CA PRO A 109 34.586 -1.965 23.933 1.00 85.95 C
902
+ ATOM 902 CB PRO A 109 34.927 -3.339 24.513 1.00 84.34 C
903
+ ATOM 903 CD PRO A 109 34.008 -3.620 22.279 1.00 82.82 C
904
+ ATOM 904 CG PRO A 109 34.819 -4.280 23.357 1.00 83.14 C
905
+ ATOM 905 N PRO A 109 33.934 -2.288 22.662 1.00 87.14 N
906
+ ATOM 906 O PRO A 109 36.502 -1.201 22.711 1.00 80.93 O
907
+ TER 907 PRO A 109
908
+ END
6e6j/6e6j_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6j/6e6j_rdkit_ligand.pdb ADDED
@@ -0,0 +1,100 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6e6j_ligand
2
+ HETATM 1 N1 UNL 1 0.928 -2.151 -3.225 1.00 0.00 N
3
+ HETATM 2 C1 UNL 1 1.974 0.058 0.037 1.00 0.00 C
4
+ HETATM 3 C2 UNL 1 1.425 -0.569 -1.057 1.00 0.00 C
5
+ HETATM 4 C3 UNL 1 0.227 -0.442 -1.712 1.00 0.00 C
6
+ HETATM 5 C4 UNL 1 -0.008 -1.250 -2.806 1.00 0.00 C
7
+ HETATM 6 C5 UNL 1 0.625 -2.973 -4.381 1.00 0.00 C
8
+ HETATM 7 C6 UNL 1 2.400 -1.482 -1.463 1.00 0.00 C
9
+ HETATM 8 C7 UNL 1 -1.653 2.763 -1.172 1.00 0.00 C
10
+ HETATM 9 C8 UNL 1 -2.585 1.078 0.244 1.00 0.00 C
11
+ HETATM 10 C9 UNL 1 -2.528 -1.616 1.139 1.00 0.00 C
12
+ HETATM 11 C10 UNL 1 -3.026 -2.070 3.462 1.00 0.00 C
13
+ HETATM 12 C11 UNL 1 -4.221 -2.634 3.128 1.00 0.00 C
14
+ HETATM 13 C12 UNL 1 -4.584 -2.696 1.795 1.00 0.00 C
15
+ HETATM 14 C13 UNL 1 -4.187 -2.286 -0.592 1.00 0.00 C
16
+ HETATM 15 C14 UNL 1 -0.782 5.057 -0.800 1.00 0.00 C
17
+ HETATM 16 N2 UNL 1 5.411 -0.680 1.484 1.00 0.00 N
18
+ HETATM 17 C15 UNL 1 5.725 -0.646 3.842 1.00 0.00 C
19
+ HETATM 18 O1 UNL 1 3.836 0.846 2.198 1.00 0.00 O
20
+ HETATM 19 C16 UNL 1 6.377 -0.369 2.491 1.00 0.00 C
21
+ HETATM 20 C17 UNL 1 -0.727 0.540 -1.212 1.00 0.00 C
22
+ HETATM 21 C18 UNL 1 -0.744 1.850 -1.657 1.00 0.00 C
23
+ HETATM 22 C19 UNL 1 -2.583 2.383 -0.216 1.00 0.00 C
24
+ HETATM 23 C20 UNL 1 -1.659 0.180 -0.260 1.00 0.00 C
25
+ HETATM 24 C21 UNL 1 -2.195 -1.569 2.474 1.00 0.00 C
26
+ HETATM 25 C22 UNL 1 -0.907 -0.969 2.928 1.00 0.00 C
27
+ HETATM 26 C23 UNL 1 4.143 -0.037 1.379 1.00 0.00 C
28
+ HETATM 27 C24 UNL 1 -3.741 -2.190 0.819 1.00 0.00 C
29
+ HETATM 28 C25 UNL 1 -1.678 4.171 -1.645 1.00 0.00 C
30
+ HETATM 29 C26 UNL 1 -1.356 4.293 -3.114 1.00 0.00 C
31
+ HETATM 30 C27 UNL 1 3.232 -0.443 0.299 1.00 0.00 C
32
+ HETATM 31 C28 UNL 1 2.090 -2.251 -2.562 1.00 0.00 C
33
+ HETATM 32 F1 UNL 1 -5.064 -3.136 4.058 1.00 0.00 F
34
+ HETATM 33 N3 UNL 1 3.453 -1.379 -0.639 1.00 0.00 N
35
+ HETATM 34 O2 UNL 1 2.944 -3.085 -2.958 1.00 0.00 O
36
+ HETATM 35 O3 UNL 1 -1.674 -1.108 0.204 1.00 0.00 O
37
+ HETATM 36 O4 UNL 1 -2.985 4.672 -1.476 1.00 0.00 O
38
+ HETATM 37 H1 UNL 1 1.467 0.825 0.588 1.00 0.00 H
39
+ HETATM 38 H2 UNL 1 -0.955 -1.134 -3.307 1.00 0.00 H
40
+ HETATM 39 H3 UNL 1 1.186 -3.922 -4.307 1.00 0.00 H
41
+ HETATM 40 H4 UNL 1 0.993 -2.418 -5.272 1.00 0.00 H
42
+ HETATM 41 H5 UNL 1 -0.474 -3.149 -4.428 1.00 0.00 H
43
+ HETATM 42 H6 UNL 1 -3.315 0.793 0.990 1.00 0.00 H
44
+ HETATM 43 H7 UNL 1 -2.734 -2.018 4.504 1.00 0.00 H
45
+ HETATM 44 H8 UNL 1 -5.541 -3.148 1.523 1.00 0.00 H
46
+ HETATM 45 H9 UNL 1 -5.245 -1.981 -0.728 1.00 0.00 H
47
+ HETATM 46 H10 UNL 1 -4.022 -3.309 -0.999 1.00 0.00 H
48
+ HETATM 47 H11 UNL 1 -3.544 -1.608 -1.223 1.00 0.00 H
49
+ HETATM 48 H12 UNL 1 -1.131 4.953 0.247 1.00 0.00 H
50
+ HETATM 49 H13 UNL 1 -1.007 6.103 -1.105 1.00 0.00 H
51
+ HETATM 50 H14 UNL 1 0.283 4.852 -0.935 1.00 0.00 H
52
+ HETATM 51 H15 UNL 1 5.635 -1.415 0.781 1.00 0.00 H
53
+ HETATM 52 H16 UNL 1 6.420 -1.162 4.535 1.00 0.00 H
54
+ HETATM 53 H17 UNL 1 5.428 0.350 4.272 1.00 0.00 H
55
+ HETATM 54 H18 UNL 1 4.782 -1.209 3.728 1.00 0.00 H
56
+ HETATM 55 H19 UNL 1 7.233 -1.067 2.419 1.00 0.00 H
57
+ HETATM 56 H20 UNL 1 6.774 0.663 2.429 1.00 0.00 H
58
+ HETATM 57 H21 UNL 1 -0.026 2.184 -2.410 1.00 0.00 H
59
+ HETATM 58 H22 UNL 1 -3.309 3.096 0.177 1.00 0.00 H
60
+ HETATM 59 H23 UNL 1 -0.191 -0.849 2.098 1.00 0.00 H
61
+ HETATM 60 H24 UNL 1 -1.150 0.009 3.397 1.00 0.00 H
62
+ HETATM 61 H25 UNL 1 -0.513 -1.625 3.748 1.00 0.00 H
63
+ HETATM 62 H26 UNL 1 -0.290 4.143 -3.333 1.00 0.00 H
64
+ HETATM 63 H27 UNL 1 -1.687 5.320 -3.425 1.00 0.00 H
65
+ HETATM 64 H28 UNL 1 -2.026 3.593 -3.652 1.00 0.00 H
66
+ HETATM 65 H29 UNL 1 4.321 -1.955 -0.725 1.00 0.00 H
67
+ HETATM 66 H30 UNL 1 -3.266 5.229 -2.244 1.00 0.00 H
68
+ CONECT 1 5 6 31
69
+ CONECT 2 3 30 30 37
70
+ CONECT 3 4 7 7
71
+ CONECT 4 5 5 20
72
+ CONECT 5 38
73
+ CONECT 6 39 40 41
74
+ CONECT 7 31 33
75
+ CONECT 8 21 21 22 28
76
+ CONECT 9 22 22 23 42
77
+ CONECT 10 24 24 27 35
78
+ CONECT 11 12 12 24 43
79
+ CONECT 12 13 32
80
+ CONECT 13 27 27 44
81
+ CONECT 14 27 45 46 47
82
+ CONECT 15 28 48 49 50
83
+ CONECT 16 19 26 51
84
+ CONECT 17 19 52 53 54
85
+ CONECT 18 26 26
86
+ CONECT 19 55 56
87
+ CONECT 20 21 23 23
88
+ CONECT 21 57
89
+ CONECT 22 58
90
+ CONECT 23 35
91
+ CONECT 24 25
92
+ CONECT 25 59 60 61
93
+ CONECT 26 30
94
+ CONECT 28 29 36
95
+ CONECT 29 62 63 64
96
+ CONECT 30 33
97
+ CONECT 31 34 34
98
+ CONECT 33 65
99
+ CONECT 36 66
100
+ END
6e6v/6e6v_ligand.mol2 ADDED
@@ -0,0 +1,52 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:13:10 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6e6v_ligand
7
+ 18 18 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 OAF -18.1040 16.5630 16.5580 O.co2 1 HWA -0.5464
14
+ 2 CAE -18.1450 16.5840 15.3140 C.2 1 HWA 0.1173
15
+ 3 OAK -17.2620 15.9340 14.6490 O.co2 1 HWA -0.5464
16
+ 4 CAD -19.2090 17.3430 14.7960 C.2 1 HWA 0.1377
17
+ 5 NAC -19.9110 18.0770 15.7780 N.2 1 HWA -0.2585
18
+ 6 CAB -21.0350 18.8720 15.4580 C.2 1 HWA 0.0248
19
+ 7 CAA -21.7290 19.6060 16.4920 C.3 1 HWA -0.0123
20
+ 8 CAG -21.4560 18.9300 14.1210 C.2 1 HWA -0.0052
21
+ 9 CAH -20.7980 18.2050 13.1200 C.2 1 HWA 0.1429
22
+ 10 OAL -21.2470 18.3060 11.9540 O.2 1 HWA -0.4077
23
+ 11 CAI -19.6670 17.4190 13.4720 C.3 1 HWA 0.1943
24
+ 12 OAJ -19.0320 16.7030 12.5220 O.3 1 HWA -0.3503
25
+ 13 H1 -22.5692 20.1597 16.0476 H 1 HWA 0.0451
26
+ 14 H2 -21.0346 20.3137 16.9684 H 1 HWA 0.0451
27
+ 15 H3 -22.1115 18.9032 17.2468 H 1 HWA 0.0451
28
+ 16 H4 -22.3108 19.5507 13.8566 H 1 HWA 0.0426
29
+ 17 H5 -19.0067 18.2788 13.2858 H 1 HWA 0.1129
30
+ 18 H6 -18.3032 16.2359 12.9133 H 1 HWA 0.2189
31
+ @<TRIPOS>BOND
32
+ 1 1 2 ar
33
+ 2 2 3 ar
34
+ 3 2 4 1
35
+ 4 4 5 2
36
+ 5 4 11 1
37
+ 6 5 6 1
38
+ 7 6 7 1
39
+ 8 6 8 2
40
+ 9 8 9 1
41
+ 10 9 10 2
42
+ 11 9 11 1
43
+ 12 11 12 1
44
+ 13 7 13 1
45
+ 14 7 14 1
46
+ 15 7 15 1
47
+ 16 8 16 1
48
+ 17 11 17 1
49
+ 18 12 18 1
50
+ @<TRIPOS>SUBSTRUCTURE
51
+ 1 HWA 1
52
+
6e6v/6e6v_ligand.sdf ADDED
@@ -0,0 +1,44 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6e6v_ligand
2
+ -I-interpret-
3
+
4
+ 19 19 0 0 0 0 0 0 0 0999 V2000
5
+ -18.1040 16.5630 16.5580 O 0 0 0 0 0
6
+ -18.1450 16.5840 15.3140 C 0 0 0 0 0
7
+ -17.2620 15.9340 14.6490 O 0 0 0 0 0
8
+ -19.2090 17.3430 14.7960 C 0 0 0 0 0
9
+ -19.9110 18.0770 15.7780 N 0 0 0 0 0
10
+ -21.0350 18.8720 15.4580 C 0 0 0 0 0
11
+ -21.7290 19.6060 16.4920 C 0 0 0 0 0
12
+ -21.4560 18.9300 14.1210 C 0 0 0 0 0
13
+ -20.7980 18.2050 13.1200 C 0 0 0 0 0
14
+ -21.2470 18.3060 11.9540 O 0 0 0 0 0
15
+ -19.6670 17.4190 13.4720 C 0 0 0 0 0
16
+ -19.0320 16.7030 12.5220 O 0 0 0 0 0
17
+ -17.4242 16.0458 13.7094 H 0 0 0 0 0
18
+ -21.6979 20.6712 16.2629 H 0 0 0 0 0
19
+ -22.7659 19.2731 16.5385 H 0 0 0 0 0
20
+ -21.2446 19.4252 17.4516 H 0 0 0 0 0
21
+ -22.3116 19.5513 13.8564 H 0 0 0 0 0
22
+ -19.7238 18.4720 13.7480 H 0 0 0 0 0
23
+ -18.2955 16.2310 12.9174 H 0 0 0 0 0
24
+ 1 2 2 0 0 0
25
+ 2 3 1 0 0 0
26
+ 2 4 1 0 0 0
27
+ 4 5 2 0 0 0
28
+ 4 11 1 0 0 0
29
+ 5 6 1 0 0 0
30
+ 6 7 1 0 0 0
31
+ 6 8 2 0 0 0
32
+ 8 9 1 0 0 0
33
+ 9 10 2 0 0 0
34
+ 9 11 1 0 0 0
35
+ 11 12 1 0 0 0
36
+ 3 13 1 0 0 0
37
+ 7 14 1 0 0 0
38
+ 7 15 1 0 0 0
39
+ 7 16 1 0 0 0
40
+ 8 17 1 0 0 0
41
+ 11 18 1 0 0 0
42
+ 12 19 1 0 0 0
43
+ M END
44
+ $$$$
6e6v/6e6v_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6v/6e6v_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6v/6e6v_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6v/6e6v_rdkit_ligand.pdb ADDED
@@ -0,0 +1,32 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6e6v_ligand
2
+ HETATM 1 O1 UNL 1 -2.948 0.049 1.512 1.00 0.00 O
3
+ HETATM 2 C1 UNL 1 -1.868 0.662 1.417 1.00 0.00 C
4
+ HETATM 3 O2 UNL 1 -1.683 1.826 2.130 1.00 0.00 O
5
+ HETATM 4 C2 UNL 1 -0.825 0.103 0.530 1.00 0.00 C
6
+ HETATM 5 N1 UNL 1 0.277 0.745 0.445 1.00 0.00 N
7
+ HETATM 6 C3 UNL 1 1.406 0.413 -0.326 1.00 0.00 C
8
+ HETATM 7 C4 UNL 1 2.639 1.262 -0.332 1.00 0.00 C
9
+ HETATM 8 C5 UNL 1 1.300 -0.695 -1.039 1.00 0.00 C
10
+ HETATM 9 C6 UNL 1 0.103 -1.502 -1.022 1.00 0.00 C
11
+ HETATM 10 O3 UNL 1 0.129 -2.542 -1.752 1.00 0.00 O
12
+ HETATM 11 C7 UNL 1 -1.053 -1.132 -0.212 1.00 0.00 C
13
+ HETATM 12 O4 UNL 1 -2.242 -1.086 -0.959 1.00 0.00 O
14
+ HETATM 13 H1 UNL 1 -2.460 2.434 2.398 1.00 0.00 H
15
+ HETATM 14 H2 UNL 1 2.899 1.388 0.761 1.00 0.00 H
16
+ HETATM 15 H3 UNL 1 3.485 0.722 -0.778 1.00 0.00 H
17
+ HETATM 16 H4 UNL 1 2.444 2.252 -0.805 1.00 0.00 H
18
+ HETATM 17 H5 UNL 1 2.162 -0.964 -1.638 1.00 0.00 H
19
+ HETATM 18 H6 UNL 1 -1.140 -1.947 0.574 1.00 0.00 H
20
+ HETATM 19 H7 UNL 1 -2.628 -1.987 -0.905 1.00 0.00 H
21
+ CONECT 1 2 2
22
+ CONECT 2 3 4
23
+ CONECT 3 13
24
+ CONECT 4 5 5 11
25
+ CONECT 5 6
26
+ CONECT 6 7 8 8
27
+ CONECT 7 14 15 16
28
+ CONECT 8 9 17
29
+ CONECT 9 10 10 11
30
+ CONECT 11 12 18
31
+ CONECT 12 19
32
+ END
6e6w/6e6w_ligand.mol2 ADDED
@@ -0,0 +1,84 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:13:10 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6e6w_ligand
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+ 33 35 1 0 0
8
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9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 OAV -17.3510 16.0530 134.6110 O.co2 1 HWJ -0.5468
14
+ 2 CAU -18.4070 16.3500 135.2410 C.2 1 HWJ 0.1158
15
+ 3 OAW -18.3940 16.3990 136.4600 O.co2 1 HWJ -0.5468
16
+ 4 CAR -19.5640 16.8470 134.6790 C.2 1 HWJ 0.1349
17
+ 5 NAQ -20.5710 17.0690 135.6160 N.2 1 HWJ -0.2630
18
+ 6 CAS -19.7720 17.1780 133.3400 C.3 1 HWJ 0.1959
19
+ 7 OAT -18.8150 16.9660 132.4390 O.3 1 HWJ -0.3506
20
+ 8 CAO -20.9630 17.7450 132.9020 C.2 1 HWJ 0.1545
21
+ 9 OAP -21.1840 18.0540 131.7140 O.2 1 HWJ -0.3988
22
+ 10 CAN -21.9530 17.9590 133.8600 C.2 1 HWJ 0.0057
23
+ 11 CAM -21.7720 17.6080 135.1970 C.2 1 HWJ 0.0488
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+ 12 CAL -22.8260 17.8560 136.0690 C.ar 1 HWJ 0.0084
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+ 13 CAH -24.0780 17.2010 135.9010 C.ar 1 HWJ -0.0268
26
+ 14 CAI -24.3580 16.2430 134.8890 C.3 1 HWJ -0.0271
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+ 15 CAG -25.1190 17.5160 136.7490 C.ar 1 HWJ -0.0390
28
+ 16 CAK -22.6360 18.8020 137.0800 C.ar 1 HWJ -0.0499
29
+ 17 CAJ -23.6930 19.0960 137.9400 C.ar 1 HWJ -0.0472
30
+ 18 CAF -24.9330 18.4420 137.7720 C.ar 1 HWJ 0.0361
31
+ 19 CAE -25.9760 18.7130 138.5350 C.2 1 HWJ 0.1859
32
+ 20 NAD -27.2440 18.4650 138.1580 N.2 1 HWJ -0.2058
33
+ 21 NAA -27.9520 18.8770 139.0450 N.2 1 HWJ -0.1372
34
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35
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36
+ 24 H1 -20.1792 16.1722 133.1596 H 1 HWJ 0.1125
37
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39
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40
+ 28 H5 -23.6758 15.3867 134.9958 H 1 HWJ 0.0405
41
+ 29 H6 -24.2173 16.7029 133.8997 H 1 HWJ 0.0405
42
+ 30 H7 -26.0848 17.0413 136.6187 H 1 HWJ 0.0602
43
+ 31 H8 -21.6800 19.3002 137.1938 H 1 HWJ 0.0642
44
+ 32 H9 -23.5636 19.8230 138.7336 H 1 HWJ 0.0613
45
+ 33 H10 -25.1324 19.6440 140.2583 H 1 HWJ 0.2708
46
+ @<TRIPOS>BOND
47
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48
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+ @<TRIPOS>SUBSTRUCTURE
83
+ 1 HWJ 1
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+
6e6w/6e6w_ligand.sdf ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6e6w_ligand
2
+ -I-interpret-
3
+
4
+ 33 35 0 0 0 0 0 0 0 0999 V2000
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+ -17.3510 16.0530 134.6110 O 0 0 0 0 0
6
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7
+ -18.3940 16.3990 136.4600 O 0 0 0 0 0
8
+ -19.5640 16.8470 134.6790 C 0 0 0 0 0
9
+ -20.5710 17.0690 135.6160 N 0 0 0 0 0
10
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11
+ -18.8150 16.9660 132.4390 O 0 0 0 0 0
12
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13
+ -21.1840 18.0540 131.7140 O 0 0 0 0 0
14
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15
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+ -22.8260 17.8560 136.0690 C 0 0 0 0 0
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+ -24.0780 17.2010 135.9010 C 0 0 0 0 0
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+ -23.6930 19.0960 137.9400 C 0 0 0 0 0
22
+ -24.9330 18.4420 137.7720 C 0 0 0 0 0
23
+ -25.9760 18.7130 138.5350 C 0 0 0 0 0
24
+ -27.2440 18.4650 138.1580 N 0 0 0 0 0
25
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26
+ -27.1710 19.4030 140.0190 N 0 0 0 0 0
27
+ -25.9490 19.3210 139.7200 N 0 0 0 0 0
28
+ -17.5302 16.0583 133.6679 H 0 0 0 0 0
29
+ -20.1086 16.8290 134.3162 H 0 0 0 0 0
30
+ -18.0523 16.5736 132.8702 H 0 0 0 0 0
31
+ -22.8955 18.4137 133.5549 H 0 0 0 0 0
32
+ -24.2181 16.6999 133.9093 H 0 0 0 0 0
33
+ -23.6814 15.3952 134.9959 H 0 0 0 0 0
34
+ -25.3885 15.9019 134.9885 H 0 0 0 0 0
35
+ -26.0901 17.0387 136.6180 H 0 0 0 0 0
36
+ -21.6747 19.3030 137.1945 H 0 0 0 0 0
37
+ -23.5629 19.8270 138.7380 H 0 0 0 0 0
38
+ 1 2 1 0 0 0
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40
+ 2 4 1 0 0 0
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42
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46
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47
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48
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49
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51
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52
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54
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55
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56
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57
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58
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61
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62
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63
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64
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67
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68
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+ 14 30 1 0 0 0
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+ 15 31 1 0 0 0
71
+ 16 32 1 0 0 0
72
+ 17 33 1 0 0 0
73
+ M END
74
+ $$$$
6e6w/6e6w_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6w/6e6w_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6w/6e6w_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e6w/6e6w_rdkit_ligand.pdb ADDED
@@ -0,0 +1,56 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6e6w_ligand
2
+ HETATM 1 O1 UNL 1 -3.517 -2.480 0.836 1.00 0.00 O1-
3
+ HETATM 2 C1 UNL 1 -4.153 -1.320 0.440 1.00 0.00 C
4
+ HETATM 3 O2 UNL 1 -5.396 -1.240 0.404 1.00 0.00 O
5
+ HETATM 4 C2 UNL 1 -3.371 -0.144 0.049 1.00 0.00 C
6
+ HETATM 5 N1 UNL 1 -2.094 -0.252 0.094 1.00 0.00 N
7
+ HETATM 6 C3 UNL 1 -4.050 1.115 -0.381 1.00 0.00 C
8
+ HETATM 7 O3 UNL 1 -4.823 0.831 -1.521 1.00 0.00 O
9
+ HETATM 8 C4 UNL 1 -3.083 2.165 -0.729 1.00 0.00 C
10
+ HETATM 9 O4 UNL 1 -3.417 3.314 -1.119 1.00 0.00 O
11
+ HETATM 10 C5 UNL 1 -1.630 1.909 -0.632 1.00 0.00 C
12
+ HETATM 11 C6 UNL 1 -1.152 0.743 -0.235 1.00 0.00 C
13
+ HETATM 12 C7 UNL 1 0.296 0.495 -0.141 1.00 0.00 C
14
+ HETATM 13 C8 UNL 1 0.761 -0.735 0.278 1.00 0.00 C
15
+ HETATM 14 C9 UNL 1 -0.193 -1.809 0.634 1.00 0.00 C
16
+ HETATM 15 C10 UNL 1 2.118 -1.007 0.380 1.00 0.00 C
17
+ HETATM 16 C11 UNL 1 1.242 1.444 -0.454 1.00 0.00 C
18
+ HETATM 17 C12 UNL 1 2.613 1.162 -0.349 1.00 0.00 C
19
+ HETATM 18 C13 UNL 1 3.077 -0.068 0.069 1.00 0.00 C
20
+ HETATM 19 C14 UNL 1 4.500 -0.358 0.177 1.00 0.00 C
21
+ HETATM 20 N2 UNL 1 5.533 0.448 -0.087 1.00 0.00 N
22
+ HETATM 21 N3 UNL 1 6.677 -0.191 0.137 1.00 0.00 N
23
+ HETATM 22 N4 UNL 1 6.351 -1.397 0.542 1.00 0.00 N
24
+ HETATM 23 N5 UNL 1 5.020 -1.524 0.575 1.00 0.00 N
25
+ HETATM 24 H1 UNL 1 -4.770 1.454 0.418 1.00 0.00 H
26
+ HETATM 25 H2 UNL 1 -5.710 1.234 -1.466 1.00 0.00 H
27
+ HETATM 26 H3 UNL 1 -0.946 2.715 -0.899 1.00 0.00 H
28
+ HETATM 27 H4 UNL 1 0.391 -2.734 0.948 1.00 0.00 H
29
+ HETATM 28 H5 UNL 1 -0.815 -1.570 1.534 1.00 0.00 H
30
+ HETATM 29 H6 UNL 1 -0.775 -2.149 -0.226 1.00 0.00 H
31
+ HETATM 30 H7 UNL 1 2.473 -1.990 0.714 1.00 0.00 H
32
+ HETATM 31 H8 UNL 1 0.947 2.435 -0.791 1.00 0.00 H
33
+ HETATM 32 H9 UNL 1 3.343 1.911 -0.597 1.00 0.00 H
34
+ HETATM 33 H10 UNL 1 4.554 -2.408 0.870 1.00 0.00 H
35
+ CONECT 1 2
36
+ CONECT 2 3 3 4
37
+ CONECT 4 5 5 6
38
+ CONECT 5 11
39
+ CONECT 6 7 8 24
40
+ CONECT 7 25
41
+ CONECT 8 9 9 10
42
+ CONECT 10 11 11 26
43
+ CONECT 11 12
44
+ CONECT 12 13 13 16
45
+ CONECT 13 14 15
46
+ CONECT 14 27 28 29
47
+ CONECT 15 18 18 30
48
+ CONECT 16 17 17 31
49
+ CONECT 17 18 32
50
+ CONECT 18 19
51
+ CONECT 19 20 20 23
52
+ CONECT 20 21
53
+ CONECT 21 22 22
54
+ CONECT 22 23
55
+ CONECT 23 33
56
+ END
6e7m/6e7m_ligand.mol2 ADDED
@@ -0,0 +1,120 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:10:03 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6e7m_ligand
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+ 52 52 1 0 0
8
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9
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10
+
11
+
12
+ @<TRIPOS>ATOM
13
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14
+ 2 C2 14.4240 19.7210 -25.7480 C.3 1 RET -0.0451
15
+ 3 C3 14.8270 18.5990 -24.7960 C.3 1 RET -0.0519
16
+ 4 C4 14.4960 17.2110 -25.3220 C.3 1 RET -0.0477
17
+ 5 C5 13.5610 17.2150 -26.4890 C.3 1 RET -0.0279
18
+ 6 C6 12.6870 18.2080 -26.6990 C.3 1 RET 0.0014
19
+ 7 C7 11.3640 17.9420 -27.2190 C.2 1 RET -0.0647
20
+ 8 C8 10.4720 17.3000 -26.5300 C.2 1 RET -0.0617
21
+ 9 C9 9.1530 16.8810 -26.9040 C.2 1 RET -0.0602
22
+ 10 C10 8.9100 15.5430 -26.8360 C.2 1 RET -0.0819
23
+ 11 C11 7.6980 14.8140 -27.0900 C.2 1 RET -0.0924
24
+ 12 C12 7.6880 13.4970 -27.3690 C.2 1 RET -0.0868
25
+ 13 C13 6.5420 12.6500 -27.5550 C.2 1 RET -0.0733
26
+ 14 C14 6.7260 11.3200 -27.7410 C.2 1 RET -0.0928
27
+ 15 C15 5.7170 10.2920 -27.8760 C.3 1 RET -0.0459
28
+ 16 C16 12.7560 20.6240 -27.3840 C.3 1 RET -0.0570
29
+ 17 C17 12.0570 20.0140 -25.0700 C.3 1 RET -0.0570
30
+ 18 C18 13.5830 15.9300 -27.2740 C.3 1 RET -0.0596
31
+ 19 C19 8.1660 17.9260 -27.3550 C.3 1 RET -0.0330
32
+ 20 C20 5.1930 13.2830 -27.4400 C.3 1 RET -0.0429
33
+ 21 H1 14.5559 20.6808 -25.2270 H 1 RET 0.0273
34
+ 22 H2 15.0872 19.6855 -26.6249 H 1 RET 0.0273
35
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36
+ 24 H4 15.9124 18.6580 -24.6274 H 1 RET 0.0266
37
+ 25 H5 14.0329 16.6332 -24.5086 H 1 RET 0.0270
38
+ 26 H6 15.4331 16.7243 -25.6301 H 1 RET 0.0270
39
+ 27 H7 14.2953 17.6947 -27.1528 H 1 RET 0.0332
40
+ 28 H8 13.0964 18.3997 -27.7018 H 1 RET 0.0525
41
+ 29 H9 11.1091 18.2910 -28.2186 H 1 RET 0.0776
42
+ 30 H10 10.7698 17.0403 -25.5152 H 1 RET 0.0458
43
+ 31 H11 9.7637 14.9327 -26.5450 H 1 RET 0.0381
44
+ 32 H12 6.7497 15.3482 -27.0554 H 1 RET 0.0493
45
+ 33 H13 8.6612 13.0179 -27.4649 H 1 RET 0.0430
46
+ 34 H14 7.7604 10.9840 -27.7955 H 1 RET 0.0475
47
+ 35 H15 6.2045 9.3158 -28.0152 H 1 RET 0.0375
48
+ 36 H16 5.0829 10.5127 -28.7473 H 1 RET 0.0375
49
+ 37 H17 5.0965 10.2658 -26.9681 H 1 RET 0.0375
50
+ 38 H18 12.9679 21.6446 -27.0327 H 1 RET 0.0237
51
+ 39 H19 11.7125 20.5634 -27.7267 H 1 RET 0.0237
52
+ 40 H20 13.4304 20.3754 -28.2167 H 1 RET 0.0237
53
+ 41 H21 12.2066 19.3080 -24.2398 H 1 RET 0.0237
54
+ 42 H22 11.0086 19.9743 -25.4006 H 1 RET 0.0237
55
+ 43 H23 12.2967 21.0331 -24.7324 H 1 RET 0.0237
56
+ 44 H24 14.3952 15.2876 -26.9030 H 1 RET 0.0235
57
+ 45 H25 13.7491 16.1532 -28.3382 H 1 RET 0.0235
58
+ 46 H26 12.6208 15.4105 -27.1541 H 1 RET 0.0235
59
+ 47 H27 8.6363 18.9193 -27.3075 H 1 RET 0.0405
60
+ 48 H28 7.2845 17.9059 -26.6974 H 1 RET 0.0405
61
+ 49 H29 7.8566 17.7160 -28.3895 H 1 RET 0.0405
62
+ 50 H30 5.3080 14.3672 -27.2939 H 1 RET 0.0347
63
+ 51 H31 4.6578 12.8521 -26.5811 H 1 RET 0.0347
64
+ 52 H32 4.6204 13.0957 -28.3604 H 1 RET 0.0347
65
+ @<TRIPOS>BOND
66
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67
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69
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70
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114
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115
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116
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117
+ 52 20 52 1
118
+ @<TRIPOS>SUBSTRUCTURE
119
+ 1 RET 1
120
+
6e7m/6e7m_ligand.sdf ADDED
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1
+ 6e7m_ligand
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+ 11.1089 18.2913 -28.2195 H 0 0 0 0 0
34
+ 10.7700 17.0401 -25.5143 H 0 0 0 0 0
35
+ 9.7645 14.9322 -26.5447 H 0 0 0 0 0
36
+ 6.7488 15.3487 -27.0554 H 0 0 0 0 0
37
+ 8.6621 13.0175 -27.4650 H 0 0 0 0 0
38
+ 7.7614 10.9837 -27.7956 H 0 0 0 0 0
39
+ 5.1028 10.2671 -26.9759 H 0 0 0 0 0
40
+ 5.0894 10.5119 -28.7396 H 0 0 0 0 0
41
+ 6.2013 9.3253 -28.0139 H 0 0 0 0 0
42
+ 11.7151 20.5822 -27.7048 H 0 0 0 0 0
43
+ 12.9921 21.6318 -27.0423 H 0 0 0 0 0
44
+ 13.4056 20.3605 -28.2187 H 0 0 0 0 0
45
+ 12.2955 21.0239 -24.7365 H 0 0 0 0 0
46
+ 11.0186 19.9744 -25.3989 H 0 0 0 0 0
47
+ 12.2061 19.3138 -24.2481 H 0 0 0 0 0
48
+ 12.6291 15.4163 -27.1544 H 0 0 0 0 0
49
+ 13.7476 16.1525 -28.3283 H 0 0 0 0 0
50
+ 14.3881 15.2943 -26.9055 H 0 0 0 0 0
51
+ 7.8602 17.7167 -28.3801 H 0 0 0 0 0
52
+ 7.2930 17.9050 -26.7026 H 0 0 0 0 0
53
+ 8.6331 18.9097 -27.3075 H 0 0 0 0 0
54
+ 4.6267 13.0967 -28.3525 H 0 0 0 0 0
55
+ 4.6637 12.8551 -26.5886 H 0 0 0 0 0
56
+ 5.3083 14.3572 -27.2953 H 0 0 0 0 0
57
+ 1 2 1 0 0 0
58
+ 1 6 1 0 0 0
59
+ 1 16 1 0 0 0
60
+ 1 17 1 0 0 0
61
+ 2 3 1 0 0 0
62
+ 3 4 1 0 0 0
63
+ 4 5 1 0 0 0
64
+ 5 6 1 0 0 0
65
+ 5 18 1 0 0 0
66
+ 6 7 1 0 0 0
67
+ 7 8 2 0 0 0
68
+ 8 9 1 0 0 0
69
+ 9 10 2 0 0 0
70
+ 9 19 1 0 0 0
71
+ 10 11 1 0 0 0
72
+ 11 12 2 0 0 0
73
+ 12 13 1 0 0 0
74
+ 13 14 2 0 0 0
75
+ 13 20 1 0 0 0
76
+ 14 15 1 0 0 0
77
+ 2 21 1 0 0 0
78
+ 2 22 1 0 0 0
79
+ 3 23 1 0 0 0
80
+ 3 24 1 0 0 0
81
+ 4 25 1 0 0 0
82
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83
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84
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85
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86
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87
+ 10 31 1 0 0 0
88
+ 11 32 1 0 0 0
89
+ 12 33 1 0 0 0
90
+ 14 34 1 0 0 0
91
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92
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93
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94
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95
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96
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97
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98
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99
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101
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103
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104
+ 19 48 1 0 0 0
105
+ 19 49 1 0 0 0
106
+ 20 50 1 0 0 0
107
+ 20 51 1 0 0 0
108
+ 20 52 1 0 0 0
109
+ M END
110
+ $$$$
6e7m/6e7m_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e7m/6e7m_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e7m/6e7m_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6e7m/6e7m_rdkit_ligand.pdb ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6e7m_ligand
2
+ HETATM 1 C1 UNL 1 -2.956 -0.876 -0.797 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -4.408 -0.897 -0.465 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -5.019 0.472 -0.316 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 -4.180 1.397 0.528 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -2.986 0.710 1.129 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 -2.160 0.153 -0.023 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -0.901 -0.368 0.490 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 0.322 -0.074 0.247 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 0.908 0.890 -0.634 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 2.240 1.031 -0.728 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 3.187 0.262 0.014 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 4.502 0.474 -0.148 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 5.465 -0.299 0.598 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 6.748 -0.092 0.440 1.00 0.00 C
16
+ HETATM 15 C15 UNL 1 7.201 0.949 -0.515 1.00 0.00 C
17
+ HETATM 16 C16 UNL 1 -2.770 -0.578 -2.277 1.00 0.00 C
18
+ HETATM 17 C17 UNL 1 -2.418 -2.292 -0.570 1.00 0.00 C
19
+ HETATM 18 C18 UNL 1 -3.305 -0.280 2.189 1.00 0.00 C
20
+ HETATM 19 C19 UNL 1 0.143 1.821 -1.528 1.00 0.00 C
21
+ HETATM 20 C20 UNL 1 4.998 -1.331 1.545 1.00 0.00 C
22
+ HETATM 21 H1 UNL 1 -4.651 -1.576 0.386 1.00 0.00 H
23
+ HETATM 22 H2 UNL 1 -4.935 -1.369 -1.347 1.00 0.00 H
24
+ HETATM 23 H3 UNL 1 -5.219 0.876 -1.331 1.00 0.00 H
25
+ HETATM 24 H4 UNL 1 -5.997 0.349 0.181 1.00 0.00 H
26
+ HETATM 25 H5 UNL 1 -3.786 2.186 -0.158 1.00 0.00 H
27
+ HETATM 26 H6 UNL 1 -4.779 1.940 1.291 1.00 0.00 H
28
+ HETATM 27 H7 UNL 1 -2.350 1.518 1.580 1.00 0.00 H
29
+ HETATM 28 H8 UNL 1 -1.999 1.004 -0.685 1.00 0.00 H
30
+ HETATM 29 H9 UNL 1 -1.037 -1.197 1.256 1.00 0.00 H
31
+ HETATM 30 H10 UNL 1 1.061 -0.687 0.834 1.00 0.00 H
32
+ HETATM 31 H11 UNL 1 2.633 1.797 -1.430 1.00 0.00 H
33
+ HETATM 32 H12 UNL 1 2.902 -0.492 0.707 1.00 0.00 H
34
+ HETATM 33 H13 UNL 1 4.836 1.230 -0.842 1.00 0.00 H
35
+ HETATM 34 H14 UNL 1 7.461 -0.668 0.997 1.00 0.00 H
36
+ HETATM 35 H15 UNL 1 6.827 0.677 -1.529 1.00 0.00 H
37
+ HETATM 36 H16 UNL 1 8.289 0.962 -0.539 1.00 0.00 H
38
+ HETATM 37 H17 UNL 1 6.755 1.936 -0.273 1.00 0.00 H
39
+ HETATM 38 H18 UNL 1 -3.479 -1.128 -2.909 1.00 0.00 H
40
+ HETATM 39 H19 UNL 1 -1.701 -0.807 -2.503 1.00 0.00 H
41
+ HETATM 40 H20 UNL 1 -2.951 0.520 -2.457 1.00 0.00 H
42
+ HETATM 41 H21 UNL 1 -2.605 -2.866 -1.525 1.00 0.00 H
43
+ HETATM 42 H22 UNL 1 -1.341 -2.316 -0.415 1.00 0.00 H
44
+ HETATM 43 H23 UNL 1 -3.011 -2.841 0.190 1.00 0.00 H
45
+ HETATM 44 H24 UNL 1 -2.916 -1.304 2.019 1.00 0.00 H
46
+ HETATM 45 H25 UNL 1 -4.414 -0.308 2.409 1.00 0.00 H
47
+ HETATM 46 H26 UNL 1 -2.861 0.023 3.184 1.00 0.00 H
48
+ HETATM 47 H27 UNL 1 0.912 2.404 -2.142 1.00 0.00 H
49
+ HETATM 48 H28 UNL 1 -0.394 2.605 -0.986 1.00 0.00 H
50
+ HETATM 49 H29 UNL 1 -0.425 1.289 -2.315 1.00 0.00 H
51
+ HETATM 50 H30 UNL 1 5.820 -1.800 2.111 1.00 0.00 H
52
+ HETATM 51 H31 UNL 1 4.495 -2.151 0.987 1.00 0.00 H
53
+ HETATM 52 H32 UNL 1 4.251 -0.879 2.226 1.00 0.00 H
54
+ CONECT 1 2 6 16 17
55
+ CONECT 2 3 21 22
56
+ CONECT 3 4 23 24
57
+ CONECT 4 5 25 26
58
+ CONECT 5 6 18 27
59
+ CONECT 6 7 28
60
+ CONECT 7 8 8 29
61
+ CONECT 8 9 30
62
+ CONECT 9 10 10 19
63
+ CONECT 10 11 31
64
+ CONECT 11 12 12 32
65
+ CONECT 12 13 33
66
+ CONECT 13 14 14 20
67
+ CONECT 14 15 34
68
+ CONECT 15 35 36 37
69
+ CONECT 16 38 39 40
70
+ CONECT 17 41 42 43
71
+ CONECT 18 44 45 46
72
+ CONECT 19 47 48 49
73
+ CONECT 20 50 51 52
74
+ END
6eeb/6eeb_ligand.mol2 ADDED
@@ -0,0 +1,119 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:13:16 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6eeb_ligand
7
+ 49 54 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C02 3.7130 62.8090 109.8080 C.ar 1 J6P 0.0603
14
+ 2 C03 2.5000 62.5850 110.4930 C.ar 1 J6P -0.0079
15
+ 3 C04 2.4820 61.6980 111.6070 C.ar 1 J6P 0.0911
16
+ 4 C06 1.9350 60.4090 113.4070 C.2 1 J6P 0.0219
17
+ 5 C07 3.3370 60.2410 113.1400 C.2 1 J6P 0.0226
18
+ 6 C08 4.2570 59.3000 114.0330 C.3 1 J6P 0.0353
19
+ 7 C09 3.7450 59.3510 115.4820 C.3 1 J6P 0.0974
20
+ 8 C10 2.1140 58.8850 115.5750 C.3 1 J6P -0.0562
21
+ 9 C11 1.6420 58.9700 116.8980 C.3 1 J6P -0.0452
22
+ 10 C12 2.6570 59.5630 117.8120 C.3 1 J6P 0.0409
23
+ 11 C13 3.9390 58.6120 117.6360 C.2 1 J6P 0.1885
24
+ 12 C16 2.2670 59.7750 119.2280 C.2 1 J6P -0.0229
25
+ 13 C17 2.9110 61.0120 119.6400 C.2 1 J6P 0.0355
26
+ 14 C18 3.7410 61.5380 118.3430 C.3 1 J6P 0.0360
27
+ 15 C20 3.9960 60.7560 116.1790 C.3 1 J6P -0.0065
28
+ 16 C21 1.1810 59.6760 114.5740 C.3 1 J6P -0.0564
29
+ 17 C22 0.1920 58.6510 113.9350 C.3 1 J6P -0.1080
30
+ 18 C23 0.3420 60.7520 115.3360 C.3 1 J6P -0.1080
31
+ 19 C24 3.6780 61.0630 112.0060 C.ar 1 J6P 0.0468
32
+ 20 C25 4.8980 61.2950 111.3120 C.ar 1 J6P -0.0299
33
+ 21 C26 4.9070 62.1710 110.2110 C.ar 1 J6P 0.0575
34
+ 22 N05 1.4380 61.2750 112.4780 N.pl3 1 J6P -0.2764
35
+ 23 N14 4.3810 58.4960 116.3170 N.am 1 J6P -0.2808
36
+ 24 N19 3.1750 60.9050 117.2880 N.4 1 J6P 0.2075
37
+ 25 O15 4.4740 58.0610 118.5500 O.2 1 J6P -0.3727
38
+ 26 CL1 3.8030 63.9070 108.4050 Cl 1 J6P -0.0600
39
+ 27 CL2 6.4060 62.5090 109.2950 Cl 1 J6P -0.0761
40
+ 28 H1 1.5913 63.0829 110.1746 H 1 J6P 0.0592
41
+ 29 H2 5.2978 59.6538 113.9945 H 1 J6P 0.0577
42
+ 30 H3 4.2066 58.2672 113.6577 H 1 J6P 0.0577
43
+ 31 H4 2.0678 57.8261 115.2809 H 1 J6P 0.0144
44
+ 32 H5 1.3919 57.9591 117.2521 H 1 J6P 0.0159
45
+ 33 H6 0.7390 59.5979 116.9139 H 1 J6P 0.0159
46
+ 34 H7 1.6286 59.1347 119.8349 H 1 J6P 0.0544
47
+ 35 H8 2.8502 61.4890 120.6171 H 1 J6P 0.1594
48
+ 36 H9 4.8046 61.2710 118.4296 H 1 J6P 0.1263
49
+ 37 H10 3.6441 62.6286 118.2375 H 1 J6P 0.1263
50
+ 38 H11 3.7811 61.5599 115.4596 H 1 J6P 0.0844
51
+ 39 H12 5.0473 60.8194 116.4965 H 1 J6P 0.0844
52
+ 40 H13 -0.4729 59.1730 113.2311 H 1 J6P 0.0052
53
+ 41 H14 -0.4093 58.1794 114.7262 H 1 J6P 0.0052
54
+ 42 H15 0.7612 57.8784 113.3973 H 1 J6P 0.0052
55
+ 43 H16 1.0191 61.4869 115.7957 H 1 J6P 0.0052
56
+ 44 H17 -0.2556 60.2636 116.1198 H 1 J6P 0.0052
57
+ 45 H18 -0.3280 61.2629 114.6289 H 1 J6P 0.0052
58
+ 46 H19 5.8105 60.8024 111.6279 H 1 J6P 0.0715
59
+ 47 H20 0.4554 61.5775 112.4158 H 1 J6P 0.2208
60
+ 48 H21 5.0881 57.8534 116.0220 H 1 J6P 0.1855
61
+ 49 H22 2.3845 61.4543 116.9891 H 1 J6P 0.2005
62
+ @<TRIPOS>BOND
63
+ 1 2 1 ar
64
+ 2 1 21 ar
65
+ 3 1 26 1
66
+ 4 3 2 ar
67
+ 5 3 19 ar
68
+ 6 22 3 1
69
+ 7 4 5 2
70
+ 8 4 16 1
71
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72
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73
+ 11 5 19 1
74
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75
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79
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
+ 32 21 27 1
95
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113
+ 51 20 46 1
114
+ 52 22 47 1
115
+ 53 23 48 1
116
+ 54 24 49 1
117
+ @<TRIPOS>SUBSTRUCTURE
118
+ 1 J6P 1
119
+
6eeb/6eeb_ligand.sdf ADDED
@@ -0,0 +1,107 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6eeb_ligand
2
+ -I-interpret-
3
+
4
+ 48 53 0 0 0 0 0 0 0 0999 V2000
5
+ 3.7130 62.8090 109.8080 C 0 0 0 0 0
6
+ 2.5000 62.5850 110.4930 C 0 0 0 0 0
7
+ 2.4820 61.6980 111.6070 C 0 0 0 0 0
8
+ 1.9350 60.4090 113.4070 C 0 0 0 0 0
9
+ 3.3370 60.2410 113.1400 C 0 0 0 0 0
10
+ 4.2570 59.3000 114.0330 C 0 0 0 0 0
11
+ 3.7450 59.3510 115.4820 C 0 0 0 0 0
12
+ 2.1140 58.8850 115.5750 C 0 0 0 0 0
13
+ 1.6420 58.9700 116.8980 C 0 0 0 0 0
14
+ 2.6570 59.5630 117.8120 C 0 0 0 0 0
15
+ 3.9390 58.6120 117.6360 C 0 0 0 0 0
16
+ 2.2670 59.7750 119.2280 C 0 0 0 0 0
17
+ 2.9110 61.0120 119.6400 C 0 0 0 0 0
18
+ 3.7410 61.5380 118.3430 C 0 0 0 0 0
19
+ 3.9960 60.7560 116.1790 C 0 0 0 0 0
20
+ 1.1810 59.6760 114.5740 C 0 0 0 0 0
21
+ 0.1920 58.6510 113.9350 C 0 0 0 0 0
22
+ 0.3420 60.7520 115.3360 C 0 0 0 0 0
23
+ 3.6780 61.0630 112.0060 C 0 0 0 0 0
24
+ 4.8980 61.2950 111.3120 C 0 0 0 0 0
25
+ 4.9070 62.1710 110.2110 C 0 0 0 0 0
26
+ 1.4380 61.2750 112.4780 N 0 0 0 0 0
27
+ 4.3810 58.4960 116.3170 N 0 0 0 0 0
28
+ 3.1750 60.9050 117.2880 N 0 3 0 0 0
29
+ 4.4740 58.0610 118.5500 O 0 0 0 0 0
30
+ 3.8030 63.9070 108.4050 Cl 0 0 0 0 0
31
+ 6.4060 62.5090 109.2950 Cl 0 0 0 0 0
32
+ 1.5862 63.0856 110.1729 H 0 0 0 0 0
33
+ 5.2911 59.6422 113.9913 H 0 0 0 0 0
34
+ 4.2164 58.2768 113.6596 H 0 0 0 0 0
35
+ 2.0711 57.8423 115.2603 H 0 0 0 0 0
36
+ 1.4159 57.9620 117.2459 H 0 0 0 0 0
37
+ 0.7595 59.6097 116.9058 H 0 0 0 0 0
38
+ 1.6280 59.1341 119.8355 H 0 0 0 0 0
39
+ 2.8502 61.4894 120.6180 H 0 0 0 0 0
40
+ 4.8049 61.3159 118.4255 H 0 0 0 0 0
41
+ 3.6886 62.6219 118.2408 H 0 0 0 0 0
42
+ 3.7728 61.5491 115.4653 H 0 0 0 0 0
43
+ 5.0363 60.8101 116.5000 H 0 0 0 0 0
44
+ 0.7573 57.8860 113.4026 H 0 0 0 0 0
45
+ -0.4031 58.1844 114.7200 H 0 0 0 0 0
46
+ -0.4662 59.1694 113.2378 H 0 0 0 0 0
47
+ -0.2792 60.2624 116.0860 H 0 0 0 0 0
48
+ 1.0150 61.4571 115.8238 H 0 0 0 0 0
49
+ -0.2929 61.2843 114.6278 H 0 0 0 0 0
50
+ 5.8155 60.7997 111.6297 H 0 0 0 0 0
51
+ 5.1023 57.8406 116.0161 H 0 0 0 0 0
52
+ 2.4195 61.4864 116.9253 H 0 0 0 0 0
53
+ 2 1 4 0 0 0
54
+ 1 21 4 0 0 0
55
+ 1 26 1 0 0 0
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+ 3 2 4 0 0 0
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61
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62
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63
+ 5 19 4 0 0 0
64
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65
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66
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67
+ 7 23 1 0 0 0
68
+ 8 9 1 0 0 0
69
+ 8 16 1 0 0 0
70
+ 9 10 1 0 0 0
71
+ 10 11 1 0 0 0
72
+ 10 12 1 0 0 0
73
+ 10 24 1 0 0 0
74
+ 11 23 1 0 0 0
75
+ 11 25 2 0 0 0
76
+ 12 13 2 0 0 0
77
+ 13 14 1 0 0 0
78
+ 14 24 1 0 0 0
79
+ 15 24 1 0 0 0
80
+ 16 17 1 0 0 0
81
+ 16 18 1 0 0 0
82
+ 19 20 4 0 0 0
83
+ 20 21 4 0 0 0
84
+ 21 27 1 0 0 0
85
+ 2 28 1 0 0 0
86
+ 6 29 1 0 0 0
87
+ 6 30 1 0 0 0
88
+ 8 31 1 0 0 0
89
+ 9 32 1 0 0 0
90
+ 9 33 1 0 0 0
91
+ 12 34 1 0 0 0
92
+ 13 35 1 0 0 0
93
+ 14 36 1 0 0 0
94
+ 14 37 1 0 0 0
95
+ 15 38 1 0 0 0
96
+ 15 39 1 0 0 0
97
+ 17 40 1 0 0 0
98
+ 17 41 1 0 0 0
99
+ 17 42 1 0 0 0
100
+ 18 43 1 0 0 0
101
+ 18 44 1 0 0 0
102
+ 18 45 1 0 0 0
103
+ 20 46 1 0 0 0
104
+ 23 47 1 0 0 0
105
+ 24 48 1 0 0 0
106
+ M END
107
+ $$$$
6eeb/6eeb_protein_alphafold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1123 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C THR A 1 11.973 60.078 143.091 1.00 78.29 C
2
+ ATOM 2 CA THR A 1 11.057 59.419 142.063 1.00 78.29 C
3
+ ATOM 3 CB THR A 1 11.849 58.363 141.269 1.00 78.29 C
4
+ ATOM 4 CG2 THR A 1 10.922 57.521 140.398 1.00 78.29 C
5
+ ATOM 5 N THR A 1 10.471 60.418 141.177 1.00 78.29 N
6
+ ATOM 6 O THR A 1 12.436 61.202 142.887 1.00 78.29 O
7
+ ATOM 7 OG1 THR A 1 12.805 59.023 140.430 1.00 78.29 O
8
+ ATOM 8 C GLU A 2 14.459 60.271 144.788 1.00 82.81 C
9
+ ATOM 9 CA GLU A 2 13.054 59.990 145.312 1.00 82.81 C
10
+ ATOM 10 CB GLU A 2 13.114 58.993 146.472 1.00 82.81 C
11
+ ATOM 11 CD GLU A 2 11.929 57.968 148.470 1.00 82.81 C
12
+ ATOM 12 CG GLU A 2 11.862 58.976 147.335 1.00 82.81 C
13
+ ATOM 13 N GLU A 2 12.185 59.490 144.251 1.00 82.81 N
14
+ ATOM 14 O GLU A 2 15.101 61.239 145.203 1.00 82.81 O
15
+ ATOM 15 OE1 GLU A 2 11.219 58.150 149.486 1.00 82.81 O
16
+ ATOM 16 OE2 GLU A 2 12.698 56.990 148.345 1.00 82.81 O
17
+ ATOM 17 C GLU A 3 16.228 60.938 142.454 1.00 82.91 C
18
+ ATOM 18 CA GLU A 3 16.167 59.635 143.247 1.00 82.91 C
19
+ ATOM 19 CB GLU A 3 16.496 58.449 142.335 1.00 82.91 C
20
+ ATOM 20 CD GLU A 3 17.176 56.005 142.197 1.00 82.91 C
21
+ ATOM 21 CG GLU A 3 17.041 57.237 143.077 1.00 82.91 C
22
+ ATOM 22 N GLU A 3 14.858 59.456 143.867 1.00 82.91 N
23
+ ATOM 23 O GLU A 3 17.218 61.669 142.529 1.00 82.91 O
24
+ ATOM 24 OE1 GLU A 3 17.875 55.047 142.597 1.00 82.91 O
25
+ ATOM 25 OE2 GLU A 3 16.580 56.000 141.096 1.00 82.91 O
26
+ ATOM 26 C GLN A 4 15.118 63.698 141.899 1.00 78.39 C
27
+ ATOM 27 CA GLN A 4 15.101 62.472 140.989 1.00 78.39 C
28
+ ATOM 28 CB GLN A 4 13.854 62.490 140.106 1.00 78.39 C
29
+ ATOM 29 CD GLN A 4 12.719 61.655 138.003 1.00 78.39 C
30
+ ATOM 30 CG GLN A 4 13.991 61.671 138.830 1.00 78.39 C
31
+ ATOM 31 N GLN A 4 15.160 61.240 141.767 1.00 78.39 N
32
+ ATOM 32 NE2 GLN A 4 12.857 61.874 136.699 1.00 78.39 N
33
+ ATOM 33 O GLN A 4 15.799 64.683 141.609 1.00 78.39 O
34
+ ATOM 34 OE1 GLN A 4 11.622 61.448 138.530 1.00 78.39 O
35
+ ATOM 35 C ILE A 5 15.756 64.840 144.546 1.00 80.92 C
36
+ ATOM 36 CA ILE A 5 14.372 64.616 143.940 1.00 80.92 C
37
+ ATOM 37 CB ILE A 5 13.337 64.347 145.054 1.00 80.92 C
38
+ ATOM 38 CD1 ILE A 5 10.859 63.838 145.459 1.00 80.92 C
39
+ ATOM 39 CG1 ILE A 5 11.924 64.270 144.462 1.00 80.92 C
40
+ ATOM 40 CG2 ILE A 5 13.417 65.427 146.137 1.00 80.92 C
41
+ ATOM 41 N ILE A 5 14.426 63.515 142.984 1.00 80.92 N
42
+ ATOM 42 O ILE A 5 16.174 65.982 144.752 1.00 80.92 O
43
+ ATOM 43 C ALA A 6 18.713 64.502 144.288 1.00 84.32 C
44
+ ATOM 44 CA ALA A 6 17.779 63.817 145.283 1.00 84.32 C
45
+ ATOM 45 CB ALA A 6 18.307 62.427 145.632 1.00 84.32 C
46
+ ATOM 46 N ALA A 6 16.422 63.727 144.751 1.00 84.32 N
47
+ ATOM 47 O ALA A 6 19.542 65.329 144.675 1.00 84.32 O
48
+ ATOM 48 C GLU A 7 19.091 66.259 141.928 1.00 81.20 C
49
+ ATOM 49 CA GLU A 7 19.374 64.762 142.030 1.00 81.20 C
50
+ ATOM 50 CB GLU A 7 19.101 64.083 140.686 1.00 81.20 C
51
+ ATOM 51 CD GLU A 7 19.561 62.102 139.164 1.00 81.20 C
52
+ ATOM 52 CG GLU A 7 19.883 62.794 140.478 1.00 81.20 C
53
+ ATOM 53 N GLU A 7 18.580 64.145 143.088 1.00 81.20 N
54
+ ATOM 54 O GLU A 7 20.016 67.063 141.794 1.00 81.20 O
55
+ ATOM 55 OE1 GLU A 7 20.360 61.249 138.714 1.00 81.20 O
56
+ ATOM 56 OE2 GLU A 7 18.500 62.415 138.578 1.00 81.20 O
57
+ ATOM 57 C PHE A 8 18.036 68.797 143.280 1.00 80.53 C
58
+ ATOM 58 CA PHE A 8 17.503 68.028 142.077 1.00 80.53 C
59
+ ATOM 59 CB PHE A 8 15.981 68.174 141.993 1.00 80.53 C
60
+ ATOM 60 CD1 PHE A 8 16.026 68.055 139.480 1.00 80.53 C
61
+ ATOM 61 CD2 PHE A 8 14.227 66.987 140.637 1.00 80.53 C
62
+ ATOM 62 CE1 PHE A 8 15.491 67.645 138.261 1.00 80.53 C
63
+ ATOM 63 CE2 PHE A 8 13.686 66.574 139.423 1.00 80.53 C
64
+ ATOM 64 CG PHE A 8 15.400 67.730 140.677 1.00 80.53 C
65
+ ATOM 65 CZ PHE A 8 14.319 66.905 138.236 1.00 80.53 C
66
+ ATOM 66 N PHE A 8 17.881 66.621 142.152 1.00 80.53 N
67
+ ATOM 67 O PHE A 8 18.463 69.946 143.149 1.00 80.53 O
68
+ ATOM 68 C LYS A 9 20.044 68.991 145.433 1.00 85.48 C
69
+ ATOM 69 CA LYS A 9 18.549 68.723 145.582 1.00 85.48 C
70
+ ATOM 70 CB LYS A 9 18.294 67.835 146.801 1.00 85.48 C
71
+ ATOM 71 CD LYS A 9 17.758 67.678 149.255 1.00 85.48 C
72
+ ATOM 72 CE LYS A 9 17.635 68.441 150.568 1.00 85.48 C
73
+ ATOM 73 CG LYS A 9 18.134 68.603 148.104 1.00 85.48 C
74
+ ATOM 74 N LYS A 9 18.001 68.108 144.376 1.00 85.48 N
75
+ ATOM 75 NZ LYS A 9 17.242 67.542 151.695 1.00 85.48 N
76
+ ATOM 76 O LYS A 9 20.534 70.047 145.837 1.00 85.48 O
77
+ ATOM 77 C GLU A 10 22.346 69.307 143.572 1.00 85.64 C
78
+ ATOM 78 CA GLU A 10 22.110 68.174 144.566 1.00 85.64 C
79
+ ATOM 79 CB GLU A 10 22.720 66.874 144.037 1.00 85.64 C
80
+ ATOM 80 CD GLU A 10 24.775 65.383 143.967 1.00 85.64 C
81
+ ATOM 81 CG GLU A 10 24.225 66.774 144.237 1.00 85.64 C
82
+ ATOM 82 N GLU A 10 20.686 67.999 144.840 1.00 85.64 N
83
+ ATOM 83 O GLU A 10 23.213 70.156 143.784 1.00 85.64 O
84
+ ATOM 84 OE1 GLU A 10 25.962 65.130 144.275 1.00 85.64 O
85
+ ATOM 85 OE2 GLU A 10 24.014 64.539 143.445 1.00 85.64 O
86
+ ATOM 86 C ALA A 11 21.319 71.770 142.177 1.00 81.54 C
87
+ ATOM 87 CA ALA A 11 21.632 70.408 141.562 1.00 81.54 C
88
+ ATOM 88 CB ALA A 11 20.678 70.117 140.407 1.00 81.54 C
89
+ ATOM 89 N ALA A 11 21.555 69.350 142.565 1.00 81.54 N
90
+ ATOM 90 O ALA A 11 22.031 72.747 141.930 1.00 81.54 O
91
+ ATOM 91 C PHE A 12 21.077 73.534 144.603 1.00 88.78 C
92
+ ATOM 92 CA PHE A 12 19.937 73.024 143.730 1.00 88.78 C
93
+ ATOM 93 CB PHE A 12 18.687 72.785 144.583 1.00 88.78 C
94
+ ATOM 94 CD1 PHE A 12 18.391 74.395 146.493 1.00 88.78 C
95
+ ATOM 95 CD2 PHE A 12 17.287 74.866 144.425 1.00 88.78 C
96
+ ATOM 96 CE1 PHE A 12 17.858 75.556 147.048 1.00 88.78 C
97
+ ATOM 97 CE2 PHE A 12 16.751 76.028 144.972 1.00 88.78 C
98
+ ATOM 98 CG PHE A 12 18.110 74.041 145.179 1.00 88.78 C
99
+ ATOM 99 CZ PHE A 12 17.037 76.371 146.284 1.00 88.78 C
100
+ ATOM 100 N PHE A 12 20.324 71.804 143.033 1.00 88.78 N
101
+ ATOM 101 O PHE A 12 21.387 74.727 144.594 1.00 88.78 O
102
+ ATOM 102 C SER A 13 23.992 73.500 145.339 1.00 88.32 C
103
+ ATOM 103 CA SER A 13 22.817 72.945 146.137 1.00 88.32 C
104
+ ATOM 104 CB SER A 13 23.268 71.730 146.947 1.00 88.32 C
105
+ ATOM 105 N SER A 13 21.703 72.594 145.263 1.00 88.32 N
106
+ ATOM 106 O SER A 13 24.777 74.299 145.853 1.00 88.32 O
107
+ ATOM 107 OG SER A 13 22.210 71.242 147.754 1.00 88.32 O
108
+ ATOM 108 C LEU A 14 24.856 75.024 142.769 1.00 85.46 C
109
+ ATOM 109 CA LEU A 14 25.146 73.586 143.187 1.00 85.46 C
110
+ ATOM 110 CB LEU A 14 25.269 72.698 141.945 1.00 85.46 C
111
+ ATOM 111 CD1 LEU A 14 25.736 70.446 140.946 1.00 85.46 C
112
+ ATOM 112 CD2 LEU A 14 27.493 71.597 142.317 1.00 85.46 C
113
+ ATOM 113 CG LEU A 14 25.998 71.367 142.134 1.00 85.46 C
114
+ ATOM 114 N LEU A 14 24.104 73.081 144.074 1.00 85.46 N
115
+ ATOM 115 O LEU A 14 25.780 75.802 142.522 1.00 85.46 O
116
+ ATOM 116 C PHE A 15 23.129 77.600 143.575 1.00 85.96 C
117
+ ATOM 117 CA PHE A 15 23.137 76.677 142.362 1.00 85.96 C
118
+ ATOM 118 CB PHE A 15 21.747 76.647 141.718 1.00 85.96 C
119
+ ATOM 119 CD1 PHE A 15 21.948 76.931 139.227 1.00 85.96 C
120
+ ATOM 120 CD2 PHE A 15 21.524 74.743 140.091 1.00 85.96 C
121
+ ATOM 121 CE1 PHE A 15 21.941 76.424 137.929 1.00 85.96 C
122
+ ATOM 122 CE2 PHE A 15 21.516 74.229 138.798 1.00 85.96 C
123
+ ATOM 123 CG PHE A 15 21.740 76.096 140.317 1.00 85.96 C
124
+ ATOM 124 CZ PHE A 15 21.724 75.072 137.718 1.00 85.96 C
125
+ ATOM 125 N PHE A 15 23.558 75.332 142.737 1.00 85.96 N
126
+ ATOM 126 O PHE A 15 23.542 78.758 143.483 1.00 85.96 O
127
+ ATOM 127 C ASP A 16 23.889 77.709 146.591 1.00 90.61 C
128
+ ATOM 128 CA ASP A 16 22.529 77.757 145.898 1.00 90.61 C
129
+ ATOM 129 CB ASP A 16 21.450 77.178 146.817 1.00 90.61 C
130
+ ATOM 130 CG ASP A 16 21.292 77.959 148.110 1.00 90.61 C
131
+ ATOM 131 N ASP A 16 22.560 77.035 144.629 1.00 90.61 N
132
+ ATOM 132 O ASP A 16 24.108 76.888 147.485 1.00 90.61 O
133
+ ATOM 133 OD1 ASP A 16 21.819 79.088 148.209 1.00 90.61 O
134
+ ATOM 134 OD2 ASP A 16 20.636 77.440 149.038 1.00 90.61 O
135
+ ATOM 135 C LYS A 17 26.255 79.085 148.207 1.00 88.53 C
136
+ ATOM 136 CA LYS A 17 26.165 78.608 146.761 1.00 88.53 C
137
+ ATOM 137 CB LYS A 17 27.056 79.472 145.867 1.00 88.53 C
138
+ ATOM 138 CD LYS A 17 28.244 77.738 144.481 1.00 88.53 C
139
+ ATOM 139 CE LYS A 17 28.447 77.164 143.086 1.00 88.53 C
140
+ ATOM 140 CG LYS A 17 27.265 78.905 144.470 1.00 88.53 C
141
+ ATOM 141 N LYS A 17 24.785 78.632 146.285 1.00 88.53 N
142
+ ATOM 142 NZ LYS A 17 29.312 75.947 143.107 1.00 88.53 N
143
+ ATOM 143 O LYS A 17 27.142 78.663 148.952 1.00 88.53 O
144
+ ATOM 144 C ASP A 18 24.504 79.626 150.810 1.00 89.51 C
145
+ ATOM 145 CA ASP A 18 25.359 80.460 149.858 1.00 89.51 C
146
+ ATOM 146 CB ASP A 18 24.897 81.919 149.877 1.00 89.51 C
147
+ ATOM 147 CG ASP A 18 23.486 82.102 149.348 1.00 89.51 C
148
+ ATOM 148 N ASP A 18 25.308 79.926 148.501 1.00 89.51 N
149
+ ATOM 149 O ASP A 18 24.631 79.742 152.029 1.00 89.51 O
150
+ ATOM 150 OD1 ASP A 18 22.783 81.092 149.124 1.00 89.51 O
151
+ ATOM 151 OD2 ASP A 18 23.075 83.265 149.149 1.00 89.51 O
152
+ ATOM 152 C GLY A 19 21.722 78.398 151.843 1.00 90.78 C
153
+ ATOM 153 CA GLY A 19 22.888 77.755 151.117 1.00 90.78 C
154
+ ATOM 154 N GLY A 19 23.676 78.704 150.348 1.00 90.78 N
155
+ ATOM 155 O GLY A 19 21.324 77.941 152.917 1.00 90.78 O
156
+ ATOM 156 C ASP A 20 18.759 79.637 151.518 1.00 90.25 C
157
+ ATOM 157 CA ASP A 20 20.108 80.226 151.927 1.00 90.25 C
158
+ ATOM 158 CB ASP A 20 20.154 81.717 151.588 1.00 90.25 C
159
+ ATOM 159 CG ASP A 20 19.916 81.999 150.116 1.00 90.25 C
160
+ ATOM 160 N ASP A 20 21.208 79.519 151.278 1.00 90.25 N
161
+ ATOM 161 O ASP A 20 17.723 79.994 152.082 1.00 90.25 O
162
+ ATOM 162 OD1 ASP A 20 19.938 81.051 149.301 1.00 90.25 O
163
+ ATOM 163 OD2 ASP A 20 19.707 83.181 149.765 1.00 90.25 O
164
+ ATOM 164 C GLY A 21 16.973 78.628 149.052 1.00 92.50 C
165
+ ATOM 165 CA GLY A 21 17.664 77.981 150.237 1.00 92.50 C
166
+ ATOM 166 N GLY A 21 18.855 78.696 150.666 1.00 92.50 N
167
+ ATOM 167 O GLY A 21 15.864 78.237 148.684 1.00 92.50 O
168
+ ATOM 168 C THR A 22 18.134 80.565 146.291 1.00 93.59 C
169
+ ATOM 169 CA THR A 22 17.039 80.338 147.329 1.00 93.59 C
170
+ ATOM 170 CB THR A 22 16.387 81.685 147.695 1.00 93.59 C
171
+ ATOM 171 CG2 THR A 22 15.305 81.502 148.753 1.00 93.59 C
172
+ ATOM 172 N THR A 22 17.576 79.671 148.509 1.00 93.59 N
173
+ ATOM 173 O THR A 22 19.319 80.595 146.629 1.00 93.59 O
174
+ ATOM 174 OG1 THR A 22 17.392 82.571 148.202 1.00 93.59 O
175
+ ATOM 175 C ILE A 23 18.515 82.182 143.402 1.00 93.18 C
176
+ ATOM 176 CA ILE A 23 18.743 80.766 143.926 1.00 93.18 C
177
+ ATOM 177 CB ILE A 23 18.595 79.740 142.779 1.00 93.18 C
178
+ ATOM 178 CD1 ILE A 23 18.375 77.226 142.335 1.00 93.18 C
179
+ ATOM 179 CG1 ILE A 23 18.808 78.317 143.306 1.00 93.18 C
180
+ ATOM 180 CG2 ILE A 23 19.573 80.055 141.644 1.00 93.18 C
181
+ ATOM 181 N ILE A 23 17.812 80.487 145.014 1.00 93.18 N
182
+ ATOM 182 O ILE A 23 17.414 82.518 142.959 1.00 93.18 O
183
+ ATOM 183 C THR A 24 19.985 84.339 141.569 1.00 92.86 C
184
+ ATOM 184 CA THR A 24 19.535 84.298 143.026 1.00 92.86 C
185
+ ATOM 185 CB THR A 24 20.411 85.246 143.865 1.00 92.86 C
186
+ ATOM 186 CG2 THR A 24 20.000 85.220 145.334 1.00 92.86 C
187
+ ATOM 187 N THR A 24 19.585 82.934 143.544 1.00 92.86 N
188
+ ATOM 188 O THR A 24 20.538 83.365 141.055 1.00 92.86 O
189
+ ATOM 189 OG1 THR A 24 21.782 84.841 143.757 1.00 92.86 O
190
+ ATOM 190 C THR A 25 21.659 85.472 139.354 1.00 90.60 C
191
+ ATOM 191 CA THR A 25 20.148 85.636 139.487 1.00 90.60 C
192
+ ATOM 192 CB THR A 25 19.732 87.020 138.957 1.00 90.60 C
193
+ ATOM 193 CG2 THR A 25 18.218 87.113 138.791 1.00 90.60 C
194
+ ATOM 194 N THR A 25 19.727 85.451 140.872 1.00 90.60 N
195
+ ATOM 195 O THR A 25 22.143 84.905 138.373 1.00 90.60 O
196
+ ATOM 196 OG1 THR A 25 20.162 88.029 139.880 1.00 90.60 O
197
+ ATOM 197 C LYS A 26 24.240 84.343 140.439 1.00 90.73 C
198
+ ATOM 198 CA LYS A 26 23.770 85.791 140.342 1.00 90.73 C
199
+ ATOM 199 CB LYS A 26 24.353 86.609 141.495 1.00 90.73 C
200
+ ATOM 200 CD LYS A 26 26.319 87.859 142.447 1.00 90.73 C
201
+ ATOM 201 CE LYS A 26 27.818 88.112 142.343 1.00 90.73 C
202
+ ATOM 202 CG LYS A 26 25.828 86.947 141.331 1.00 90.73 C
203
+ ATOM 203 N LYS A 26 22.312 85.871 140.342 1.00 90.73 N
204
+ ATOM 204 NZ LYS A 26 28.315 88.961 143.467 1.00 90.73 N
205
+ ATOM 205 O LYS A 26 25.146 83.930 139.713 1.00 90.73 O
206
+ ATOM 206 C GLU A 27 23.604 81.402 140.234 1.00 92.84 C
207
+ ATOM 207 CA GLU A 27 23.958 82.224 141.470 1.00 92.84 C
208
+ ATOM 208 CB GLU A 27 23.252 81.652 142.702 1.00 92.84 C
209
+ ATOM 209 CD GLU A 27 22.881 81.929 145.200 1.00 92.84 C
210
+ ATOM 210 CG GLU A 27 23.817 82.154 144.023 1.00 92.84 C
211
+ ATOM 211 N GLU A 27 23.611 83.630 141.287 1.00 92.84 N
212
+ ATOM 212 O GLU A 27 24.428 80.630 139.738 1.00 92.84 O
213
+ ATOM 213 OE1 GLU A 27 23.365 81.601 146.306 1.00 92.84 O
214
+ ATOM 214 OE2 GLU A 27 21.653 82.081 145.013 1.00 92.84 O
215
+ ATOM 215 C LEU A 28 22.986 81.328 137.353 1.00 88.13 C
216
+ ATOM 216 CA LEU A 28 22.018 81.041 138.497 1.00 88.13 C
217
+ ATOM 217 CB LEU A 28 20.609 81.502 138.116 1.00 88.13 C
218
+ ATOM 218 CD1 LEU A 28 19.819 79.292 137.235 1.00 88.13 C
219
+ ATOM 219 CD2 LEU A 28 18.596 81.395 136.620 1.00 88.13 C
220
+ ATOM 220 CG LEU A 28 19.955 80.781 136.936 1.00 88.13 C
221
+ ATOM 221 N LEU A 28 22.455 81.696 139.725 1.00 88.13 N
222
+ ATOM 222 O LEU A 28 23.399 80.410 136.640 1.00 88.13 O
223
+ ATOM 223 C GLY A 29 25.688 82.241 136.308 1.00 87.87 C
224
+ ATOM 224 CA GLY A 29 24.355 82.953 136.182 1.00 87.87 C
225
+ ATOM 225 N GLY A 29 23.402 82.567 137.211 1.00 87.87 N
226
+ ATOM 226 O GLY A 29 26.258 81.798 135.308 1.00 87.87 O
227
+ ATOM 227 C THR A 30 27.380 79.925 137.344 1.00 88.42 C
228
+ ATOM 228 CA THR A 30 27.421 81.388 137.774 1.00 88.42 C
229
+ ATOM 229 CB THR A 30 27.793 81.477 139.265 1.00 88.42 C
230
+ ATOM 230 CG2 THR A 30 29.099 80.745 139.552 1.00 88.42 C
231
+ ATOM 231 N THR A 30 26.145 82.041 137.506 1.00 88.42 N
232
+ ATOM 232 O THR A 30 28.289 79.447 136.661 1.00 88.42 O
233
+ ATOM 233 OG1 THR A 30 27.941 82.855 139.633 1.00 88.42 O
234
+ ATOM 234 C VAL A 31 25.995 77.696 135.876 1.00 80.79 C
235
+ ATOM 235 CA VAL A 31 26.175 77.885 137.381 1.00 80.79 C
236
+ ATOM 236 CB VAL A 31 24.986 77.261 138.144 1.00 80.79 C
237
+ ATOM 237 CG1 VAL A 31 24.743 75.824 137.683 1.00 80.79 C
238
+ ATOM 238 CG2 VAL A 31 25.235 77.307 139.650 1.00 80.79 C
239
+ ATOM 239 N VAL A 31 26.322 79.305 137.687 1.00 80.79 N
240
+ ATOM 240 O VAL A 31 26.634 76.832 135.272 1.00 80.79 O
241
+ ATOM 241 C MET A 32 26.276 78.651 133.088 1.00 80.70 C
242
+ ATOM 242 CA MET A 32 24.974 78.475 133.864 1.00 80.70 C
243
+ ATOM 243 CB MET A 32 23.955 79.525 133.419 1.00 80.70 C
244
+ ATOM 244 CE MET A 32 20.940 78.638 131.551 1.00 80.70 C
245
+ ATOM 245 CG MET A 32 22.522 79.185 133.794 1.00 80.70 C
246
+ ATOM 246 N MET A 32 25.209 78.563 135.302 1.00 80.70 N
247
+ ATOM 247 O MET A 32 26.546 77.910 132.142 1.00 80.70 O
248
+ ATOM 248 SD MET A 32 21.295 79.998 132.698 1.00 80.70 S
249
+ ATOM 249 C ARG A 33 29.318 78.533 133.070 1.00 83.73 C
250
+ ATOM 250 CA ARG A 33 28.429 79.762 132.919 1.00 83.73 C
251
+ ATOM 251 CB ARG A 33 29.118 80.986 133.530 1.00 83.73 C
252
+ ATOM 252 CD ARG A 33 29.334 83.493 133.619 1.00 83.73 C
253
+ ATOM 253 CG ARG A 33 28.599 82.313 133.000 1.00 83.73 C
254
+ ATOM 254 CZ ARG A 33 28.992 85.941 133.688 1.00 83.73 C
255
+ ATOM 255 N ARG A 33 27.126 79.545 133.540 1.00 83.73 N
256
+ ATOM 256 NE ARG A 33 28.515 84.702 133.613 1.00 83.73 N
257
+ ATOM 257 NH1 ARG A 33 30.299 86.161 133.777 1.00 83.73 N
258
+ ATOM 258 NH2 ARG A 33 28.157 86.969 133.674 1.00 83.73 N
259
+ ATOM 259 O ARG A 33 30.040 78.165 132.141 1.00 83.73 O
260
+ ATOM 260 C SER A 34 29.508 75.574 133.585 1.00 81.64 C
261
+ ATOM 261 CA SER A 34 29.959 76.725 134.479 1.00 81.64 C
262
+ ATOM 262 CB SER A 34 29.847 76.314 135.948 1.00 81.64 C
263
+ ATOM 263 N SER A 34 29.178 77.930 134.222 1.00 81.64 N
264
+ ATOM 264 O SER A 34 30.307 74.702 133.236 1.00 81.64 O
265
+ ATOM 265 OG SER A 34 30.399 77.311 136.791 1.00 81.64 O
266
+ ATOM 266 C LEU A 35 27.926 74.902 130.791 1.00 73.61 C
267
+ ATOM 267 CA LEU A 35 27.668 74.545 132.252 1.00 73.61 C
268
+ ATOM 268 CB LEU A 35 26.162 74.415 132.499 1.00 73.61 C
269
+ ATOM 269 CD1 LEU A 35 24.248 74.003 134.064 1.00 73.61 C
270
+ ATOM 270 CD2 LEU A 35 26.124 72.343 133.916 1.00 73.61 C
271
+ ATOM 271 CG LEU A 35 25.746 73.819 133.845 1.00 73.61 C
272
+ ATOM 272 N LEU A 35 28.247 75.546 133.141 1.00 73.61 N
273
+ ATOM 273 O LEU A 35 27.449 74.213 129.886 1.00 73.61 O
274
+ ATOM 274 C GLY A 36 28.067 77.277 128.636 1.00 79.49 C
275
+ ATOM 275 CA GLY A 36 29.069 76.359 129.310 1.00 79.49 C
276
+ ATOM 276 N GLY A 36 28.673 75.969 130.653 1.00 79.49 N
277
+ ATOM 277 O GLY A 36 28.160 77.529 127.433 1.00 79.49 O
278
+ ATOM 278 C GLN A 37 26.503 80.111 129.333 1.00 74.17 C
279
+ ATOM 279 CA GLN A 37 26.148 78.689 128.910 1.00 74.17 C
280
+ ATOM 280 CB GLN A 37 24.735 78.339 129.377 1.00 74.17 C
281
+ ATOM 281 CD GLN A 37 22.736 76.863 128.888 1.00 74.17 C
282
+ ATOM 282 CG GLN A 37 24.250 76.976 128.903 1.00 74.17 C
283
+ ATOM 283 N GLN A 37 27.114 77.728 129.433 1.00 74.17 N
284
+ ATOM 284 NE2 GLN A 37 22.213 76.030 127.996 1.00 74.17 N
285
+ ATOM 285 O GLN A 37 27.173 80.313 130.349 1.00 74.17 O
286
+ ATOM 286 OE1 GLN A 37 22.044 77.519 129.673 1.00 74.17 O
287
+ ATOM 287 C ASN A 38 25.383 83.380 128.635 1.00 84.67 C
288
+ ATOM 288 CA ASN A 38 26.629 82.510 128.780 1.00 84.67 C
289
+ ATOM 289 CB ASN A 38 27.754 83.041 127.889 1.00 84.67 C
290
+ ATOM 290 CG ASN A 38 28.544 84.155 128.547 1.00 84.67 C
291
+ ATOM 291 N ASN A 38 26.346 81.112 128.470 1.00 84.67 N
292
+ ATOM 292 ND2 ASN A 38 29.048 85.082 127.740 1.00 84.67 N
293
+ ATOM 293 O ASN A 38 25.325 84.249 127.763 1.00 84.67 O
294
+ ATOM 294 OD1 ASN A 38 28.701 84.182 129.771 1.00 84.67 O
295
+ ATOM 295 C PRO A 39 23.476 85.311 129.987 1.00 81.51 C
296
+ ATOM 296 CA PRO A 39 23.237 83.867 129.552 1.00 81.51 C
297
+ ATOM 297 CB PRO A 39 22.279 83.159 130.515 1.00 81.51 C
298
+ ATOM 298 CD PRO A 39 24.474 82.140 130.759 1.00 81.51 C
299
+ ATOM 299 CG PRO A 39 23.167 82.405 131.451 1.00 81.51 C
300
+ ATOM 300 N PRO A 39 24.448 83.047 129.619 1.00 81.51 N
301
+ ATOM 301 O PRO A 39 24.408 85.584 130.747 1.00 81.51 O
302
+ ATOM 302 C THR A 40 21.973 87.826 131.090 1.00 88.87 C
303
+ ATOM 303 CA THR A 40 22.795 87.630 129.820 1.00 88.87 C
304
+ ATOM 304 CB THR A 40 22.270 88.568 128.716 1.00 88.87 C
305
+ ATOM 305 CG2 THR A 40 23.083 88.418 127.436 1.00 88.87 C
306
+ ATOM 306 N THR A 40 22.759 86.236 129.390 1.00 88.87 N
307
+ ATOM 307 O THR A 40 21.175 86.961 131.460 1.00 88.87 O
308
+ ATOM 308 OG1 THR A 40 20.900 88.252 128.440 1.00 88.87 O
309
+ ATOM 309 C GLU A 41 20.019 89.262 132.693 1.00 88.27 C
310
+ ATOM 310 CA GLU A 41 21.519 89.230 132.971 1.00 88.27 C
311
+ ATOM 311 CB GLU A 41 21.977 90.572 133.547 1.00 88.27 C
312
+ ATOM 312 CD GLU A 41 22.162 92.037 135.615 1.00 88.27 C
313
+ ATOM 313 CG GLU A 41 21.518 90.816 134.978 1.00 88.27 C
314
+ ATOM 314 N GLU A 41 22.273 88.906 131.763 1.00 88.27 N
315
+ ATOM 315 O GLU A 41 19.221 88.802 133.511 1.00 88.27 O
316
+ ATOM 316 OE1 GLU A 41 21.838 92.355 136.781 1.00 88.27 O
317
+ ATOM 317 OE2 GLU A 41 22.997 92.681 134.941 1.00 88.27 O
318
+ ATOM 318 C ALA A 42 17.658 88.428 131.004 1.00 89.70 C
319
+ ATOM 319 CA ALA A 42 18.245 89.825 131.183 1.00 89.70 C
320
+ ATOM 320 CB ALA A 42 18.094 90.632 129.895 1.00 89.70 C
321
+ ATOM 321 N ALA A 42 19.650 89.759 131.580 1.00 89.70 N
322
+ ATOM 322 O ALA A 42 16.538 88.158 131.441 1.00 89.70 O
323
+ ATOM 323 C GLU A 43 17.854 85.410 131.559 1.00 85.86 C
324
+ ATOM 324 CA GLU A 43 18.005 86.137 130.226 1.00 85.86 C
325
+ ATOM 325 CB GLU A 43 19.007 85.398 129.334 1.00 85.86 C
326
+ ATOM 326 CD GLU A 43 20.122 85.298 127.054 1.00 85.86 C
327
+ ATOM 327 CG GLU A 43 18.944 85.807 127.870 1.00 85.86 C
328
+ ATOM 328 N GLU A 43 18.419 87.522 130.424 1.00 85.86 N
329
+ ATOM 329 O GLU A 43 16.902 84.652 131.754 1.00 85.86 O
330
+ ATOM 330 OE1 GLU A 43 19.925 84.907 125.881 1.00 85.86 O
331
+ ATOM 331 OE2 GLU A 43 21.252 85.289 127.593 1.00 85.86 O
332
+ ATOM 332 C LEU A 44 17.453 85.568 134.537 1.00 87.21 C
333
+ ATOM 333 CA LEU A 44 18.692 85.111 133.773 1.00 87.21 C
334
+ ATOM 334 CB LEU A 44 19.952 85.451 134.570 1.00 87.21 C
335
+ ATOM 335 CD1 LEU A 44 22.448 85.420 134.820 1.00 87.21 C
336
+ ATOM 336 CD2 LEU A 44 21.216 83.305 134.264 1.00 87.21 C
337
+ ATOM 337 CG LEU A 44 21.256 84.818 134.082 1.00 87.21 C
338
+ ATOM 338 N LEU A 44 18.741 85.726 132.451 1.00 87.21 N
339
+ ATOM 339 O LEU A 44 16.770 84.753 135.164 1.00 87.21 O
340
+ ATOM 340 C GLN A 45 14.759 86.813 134.483 1.00 87.42 C
341
+ ATOM 341 CA GLN A 45 16.043 87.393 135.069 1.00 87.42 C
342
+ ATOM 342 CB GLN A 45 16.041 88.916 134.936 1.00 87.42 C
343
+ ATOM 343 CD GLN A 45 15.592 89.592 137.334 1.00 87.42 C
344
+ ATOM 344 CG GLN A 45 15.093 89.615 135.901 1.00 87.42 C
345
+ ATOM 345 N GLN A 45 17.221 86.824 134.421 1.00 87.42 N
346
+ ATOM 346 NE2 GLN A 45 14.668 89.477 138.281 1.00 87.42 N
347
+ ATOM 347 O GLN A 45 13.809 86.529 135.216 1.00 87.42 O
348
+ ATOM 348 OE1 GLN A 45 16.799 89.673 137.587 1.00 87.42 O
349
+ ATOM 349 C ASP A 46 13.384 84.621 132.975 1.00 87.12 C
350
+ ATOM 350 CA ASP A 46 13.619 86.061 132.525 1.00 87.12 C
351
+ ATOM 351 CB ASP A 46 13.803 86.114 131.006 1.00 87.12 C
352
+ ATOM 352 CG ASP A 46 12.798 87.019 130.318 1.00 87.12 C
353
+ ATOM 353 N ASP A 46 14.774 86.641 133.201 1.00 87.12 N
354
+ ATOM 354 O ASP A 46 12.243 84.218 133.214 1.00 87.12 O
355
+ ATOM 355 OD1 ASP A 46 11.677 87.195 130.841 1.00 87.12 O
356
+ ATOM 356 OD2 ASP A 46 13.129 87.562 129.240 1.00 87.12 O
357
+ ATOM 357 C MET A 47 13.847 82.480 135.012 1.00 82.78 C
358
+ ATOM 358 CA MET A 47 14.414 82.556 133.599 1.00 82.78 C
359
+ ATOM 359 CB MET A 47 15.801 81.913 133.556 1.00 82.78 C
360
+ ATOM 360 CE MET A 47 17.647 79.244 132.605 1.00 82.78 C
361
+ ATOM 361 CG MET A 47 16.320 81.665 132.149 1.00 82.78 C
362
+ ATOM 362 N MET A 47 14.474 83.939 133.136 1.00 82.78 N
363
+ ATOM 363 O MET A 47 13.034 81.603 135.312 1.00 82.78 O
364
+ ATOM 364 SD MET A 47 18.013 80.958 132.138 1.00 82.78 S
365
+ ATOM 365 C ILE A 48 12.326 83.833 137.222 1.00 87.33 C
366
+ ATOM 366 CA ILE A 48 13.802 83.441 137.215 1.00 87.33 C
367
+ ATOM 367 CB ILE A 48 14.623 84.431 138.073 1.00 87.33 C
368
+ ATOM 368 CD1 ILE A 48 16.882 84.747 139.238 1.00 87.33 C
369
+ ATOM 369 CG1 ILE A 48 16.033 83.881 138.319 1.00 87.33 C
370
+ ATOM 370 CG2 ILE A 48 13.908 84.721 139.395 1.00 87.33 C
371
+ ATOM 371 N ILE A 48 14.292 83.391 135.842 1.00 87.33 N
372
+ ATOM 372 O ILE A 48 11.513 83.203 137.902 1.00 87.33 O
373
+ ATOM 373 C ASN A 49 9.658 84.223 135.831 1.00 87.98 C
374
+ ATOM 374 CA ASN A 49 10.622 85.294 136.336 1.00 87.98 C
375
+ ATOM 375 CB ASN A 49 10.542 86.540 135.451 1.00 87.98 C
376
+ ATOM 376 CG ASN A 49 10.981 87.798 136.173 1.00 87.98 C
377
+ ATOM 377 N ASN A 49 11.992 84.796 136.396 1.00 87.98 N
378
+ ATOM 378 ND2 ASN A 49 11.290 88.841 135.411 1.00 87.98 N
379
+ ATOM 379 O ASN A 49 8.490 84.200 136.221 1.00 87.98 O
380
+ ATOM 380 OD1 ASN A 49 11.041 87.832 137.404 1.00 87.98 O
381
+ ATOM 381 C GLU A 50 8.967 81.285 135.514 1.00 84.89 C
382
+ ATOM 382 CA GLU A 50 9.368 82.310 134.457 1.00 84.89 C
383
+ ATOM 383 CB GLU A 50 10.102 81.618 133.305 1.00 84.89 C
384
+ ATOM 384 CD GLU A 50 10.463 81.536 130.792 1.00 84.89 C
385
+ ATOM 385 CG GLU A 50 10.021 82.369 131.984 1.00 84.89 C
386
+ ATOM 386 N GLU A 50 10.195 83.367 135.031 1.00 84.89 N
387
+ ATOM 387 O GLU A 50 7.924 80.638 135.396 1.00 84.89 O
388
+ ATOM 388 OE1 GLU A 50 10.104 81.881 129.643 1.00 84.89 O
389
+ ATOM 389 OE2 GLU A 50 11.175 80.529 131.009 1.00 84.89 O
390
+ ATOM 390 C VAL A 51 9.239 80.775 138.864 1.00 83.64 C
391
+ ATOM 391 CA VAL A 51 9.544 80.172 137.495 1.00 83.64 C
392
+ ATOM 392 CB VAL A 51 10.735 79.192 137.597 1.00 83.64 C
393
+ ATOM 393 CG1 VAL A 51 10.855 78.355 136.325 1.00 83.64 C
394
+ ATOM 394 CG2 VAL A 51 12.031 79.956 137.862 1.00 83.64 C
395
+ ATOM 395 N VAL A 51 9.806 81.238 136.534 1.00 83.64 N
396
+ ATOM 396 O VAL A 51 8.765 80.079 139.765 1.00 83.64 O
397
+ ATOM 397 C ASP A 52 7.798 83.035 140.411 1.00 88.10 C
398
+ ATOM 398 CA ASP A 52 9.299 82.849 140.200 1.00 88.10 C
399
+ ATOM 399 CB ASP A 52 10.002 84.208 140.191 1.00 88.10 C
400
+ ATOM 400 CG ASP A 52 9.885 84.944 141.513 1.00 88.10 C
401
+ ATOM 401 N ASP A 52 9.569 82.124 138.962 1.00 88.10 N
402
+ ATOM 402 O ASP A 52 7.232 84.053 140.009 1.00 88.10 O
403
+ ATOM 403 OD1 ASP A 52 9.390 84.356 142.499 1.00 88.10 O
404
+ ATOM 404 OD2 ASP A 52 10.289 86.126 141.571 1.00 88.10 O
405
+ ATOM 405 C ALA A 53 5.326 83.075 142.405 1.00 83.41 C
406
+ ATOM 406 CA ALA A 53 5.770 82.079 141.338 1.00 83.41 C
407
+ ATOM 407 CB ALA A 53 5.311 80.670 141.703 1.00 83.41 C
408
+ ATOM 408 N ALA A 53 7.219 82.112 141.159 1.00 83.41 N
409
+ ATOM 409 O ALA A 53 4.205 83.586 142.358 1.00 83.41 O
410
+ ATOM 410 C ASP A 54 6.325 85.569 144.143 1.00 87.44 C
411
+ ATOM 411 CA ASP A 54 5.841 84.139 144.369 1.00 87.44 C
412
+ ATOM 412 CB ASP A 54 6.387 83.603 145.695 1.00 87.44 C
413
+ ATOM 413 CG ASP A 54 7.904 83.554 145.735 1.00 87.44 C
414
+ ATOM 414 N ASP A 54 6.235 83.271 143.265 1.00 87.44 N
415
+ ATOM 415 O ASP A 54 5.946 86.483 144.880 1.00 87.44 O
416
+ ATOM 416 OD1 ASP A 54 8.555 84.020 144.776 1.00 87.44 O
417
+ ATOM 417 OD2 ASP A 54 8.453 83.042 146.734 1.00 87.44 O
418
+ ATOM 418 C GLY A 55 8.554 87.765 143.571 1.00 89.59 C
419
+ ATOM 419 CA GLY A 55 7.497 87.166 142.663 1.00 89.59 C
420
+ ATOM 420 N GLY A 55 7.070 85.840 143.080 1.00 89.59 N
421
+ ATOM 421 O GLY A 55 8.678 88.988 143.666 1.00 89.59 O
422
+ ATOM 422 C ASN A 56 11.636 87.678 144.530 1.00 88.70 C
423
+ ATOM 423 CA ASN A 56 10.288 87.457 145.210 1.00 88.70 C
424
+ ATOM 424 CB ASN A 56 10.442 86.501 146.396 1.00 88.70 C
425
+ ATOM 425 CG ASN A 56 11.003 85.154 145.991 1.00 88.70 C
426
+ ATOM 426 N ASN A 56 9.290 86.952 144.273 1.00 88.70 N
427
+ ATOM 427 ND2 ASN A 56 11.287 84.309 146.975 1.00 88.70 N
428
+ ATOM 428 O ASN A 56 12.537 88.285 145.111 1.00 88.70 O
429
+ ATOM 429 OD1 ASN A 56 11.180 84.872 144.802 1.00 88.70 O
430
+ ATOM 430 C GLY A 57 14.021 86.459 142.741 1.00 90.40 C
431
+ ATOM 431 CA GLY A 57 12.960 87.523 142.534 1.00 90.40 C
432
+ ATOM 432 N GLY A 57 11.758 87.293 143.320 1.00 90.40 N
433
+ ATOM 433 O GLY A 57 15.164 86.623 142.309 1.00 90.40 O
434
+ ATOM 434 C THR A 58 13.842 83.024 143.466 1.00 92.10 C
435
+ ATOM 435 CA THR A 58 14.549 84.341 143.777 1.00 92.10 C
436
+ ATOM 436 CB THR A 58 15.055 84.324 145.232 1.00 92.10 C
437
+ ATOM 437 CG2 THR A 58 15.774 85.623 145.579 1.00 92.10 C
438
+ ATOM 438 N THR A 58 13.661 85.473 143.539 1.00 92.10 N
439
+ ATOM 439 O THR A 58 12.627 83.001 143.258 1.00 92.10 O
440
+ ATOM 440 OG1 THR A 58 13.941 84.156 146.117 1.00 92.10 O
441
+ ATOM 441 C ILE A 59 14.187 79.799 144.221 1.00 90.84 C
442
+ ATOM 442 CA ILE A 59 14.060 80.667 142.970 1.00 90.84 C
443
+ ATOM 443 CB ILE A 59 14.746 79.978 141.769 1.00 90.84 C
444
+ ATOM 444 CD1 ILE A 59 15.355 80.295 139.300 1.00 90.84 C
445
+ ATOM 445 CG1 ILE A 59 14.620 80.849 140.513 1.00 90.84 C
446
+ ATOM 446 CG2 ILE A 59 14.151 78.587 141.532 1.00 90.84 C
447
+ ATOM 447 N ILE A 59 14.630 81.986 143.226 1.00 90.84 N
448
+ ATOM 448 O ILE A 59 15.297 79.519 144.680 1.00 90.84 O
449
+ ATOM 449 C ASP A 60 13.114 77.129 145.343 1.00 91.66 C
450
+ ATOM 450 CA ASP A 60 13.060 78.576 145.829 1.00 91.66 C
451
+ ATOM 451 CB ASP A 60 11.831 78.787 146.715 1.00 91.66 C
452
+ ATOM 452 CG ASP A 60 11.765 80.180 147.315 1.00 91.66 C
453
+ ATOM 453 N ASP A 60 13.047 79.506 144.705 1.00 91.66 N
454
+ ATOM 454 O ASP A 60 12.939 76.861 144.152 1.00 91.66 O
455
+ ATOM 455 OD1 ASP A 60 12.829 80.779 147.585 1.00 91.66 O
456
+ ATOM 456 OD2 ASP A 60 10.640 80.683 147.522 1.00 91.66 O
457
+ ATOM 457 C PHE A 61 12.301 74.261 145.249 1.00 90.11 C
458
+ ATOM 458 CA PHE A 61 13.528 74.802 145.974 1.00 90.11 C
459
+ ATOM 459 CB PHE A 61 13.813 73.961 147.221 1.00 90.11 C
460
+ ATOM 460 CD1 PHE A 61 13.199 71.527 147.385 1.00 90.11 C
461
+ ATOM 461 CD2 PHE A 61 15.187 72.122 146.197 1.00 90.11 C
462
+ ATOM 462 CE1 PHE A 61 13.435 70.180 147.115 1.00 90.11 C
463
+ ATOM 463 CE2 PHE A 61 15.430 70.778 145.924 1.00 90.11 C
464
+ ATOM 464 CG PHE A 61 14.071 72.507 146.929 1.00 90.11 C
465
+ ATOM 465 CZ PHE A 61 14.553 69.809 146.385 1.00 90.11 C
466
+ ATOM 466 N PHE A 61 13.343 76.204 146.330 1.00 90.11 N
467
+ ATOM 467 O PHE A 61 12.424 73.605 144.213 1.00 90.11 O
468
+ ATOM 468 C PRO A 62 9.887 74.701 143.554 1.00 88.71 C
469
+ ATOM 469 CA PRO A 62 9.976 74.125 144.967 1.00 88.71 C
470
+ ATOM 470 CB PRO A 62 8.807 74.609 145.828 1.00 88.71 C
471
+ ATOM 471 CD PRO A 62 10.929 75.339 146.767 1.00 88.71 C
472
+ ATOM 472 CG PRO A 62 9.447 75.268 147.006 1.00 88.71 C
473
+ ATOM 473 N PRO A 62 11.153 74.601 145.698 1.00 88.71 N
474
+ ATOM 474 O PRO A 62 9.498 73.995 142.621 1.00 88.71 O
475
+ ATOM 475 C GLU A 63 11.272 76.007 141.170 1.00 89.59 C
476
+ ATOM 476 CA GLU A 63 10.213 76.609 142.089 1.00 89.59 C
477
+ ATOM 477 CB GLU A 63 10.436 78.117 142.234 1.00 89.59 C
478
+ ATOM 478 CD GLU A 63 9.588 80.306 143.201 1.00 89.59 C
479
+ ATOM 479 CG GLU A 63 9.278 78.851 142.891 1.00 89.59 C
480
+ ATOM 480 N GLU A 63 10.219 75.962 143.398 1.00 89.59 N
481
+ ATOM 481 O GLU A 63 11.010 75.756 139.993 1.00 89.59 O
482
+ ATOM 482 OE1 GLU A 63 8.648 81.133 143.233 1.00 89.59 O
483
+ ATOM 483 OE2 GLU A 63 10.780 80.623 143.413 1.00 89.59 O
484
+ ATOM 484 C PHE A 64 13.042 73.707 140.588 1.00 87.19 C
485
+ ATOM 485 CA PHE A 64 13.466 75.084 141.084 1.00 87.19 C
486
+ ATOM 486 CB PHE A 64 14.705 74.963 141.975 1.00 87.19 C
487
+ ATOM 487 CD1 PHE A 64 16.234 73.017 141.518 1.00 87.19 C
488
+ ATOM 488 CD2 PHE A 64 16.664 75.089 140.406 1.00 87.19 C
489
+ ATOM 489 CE1 PHE A 64 17.331 72.443 140.882 1.00 87.19 C
490
+ ATOM 490 CE2 PHE A 64 17.761 74.522 139.765 1.00 87.19 C
491
+ ATOM 491 CG PHE A 64 15.891 74.344 141.286 1.00 87.19 C
492
+ ATOM 492 CZ PHE A 64 18.094 73.198 140.005 1.00 87.19 C
493
+ ATOM 493 N PHE A 64 12.377 75.732 141.804 1.00 87.19 N
494
+ ATOM 494 O PHE A 64 13.304 73.347 139.437 1.00 87.19 O
495
+ ATOM 495 C LEU A 65 10.963 71.750 139.868 1.00 83.78 C
496
+ ATOM 496 CA LEU A 65 11.933 71.682 141.042 1.00 83.78 C
497
+ ATOM 497 CB LEU A 65 11.256 71.015 142.242 1.00 83.78 C
498
+ ATOM 498 CD1 LEU A 65 11.447 69.985 144.520 1.00 83.78 C
499
+ ATOM 499 CD2 LEU A 65 12.671 68.968 142.579 1.00 83.78 C
500
+ ATOM 500 CG LEU A 65 12.174 70.266 143.209 1.00 83.78 C
501
+ ATOM 501 N LEU A 65 12.410 73.014 141.400 1.00 83.78 N
502
+ ATOM 502 O LEU A 65 11.036 70.933 138.948 1.00 83.78 O
503
+ ATOM 503 C THR A 66 9.791 73.272 137.527 1.00 81.82 C
504
+ ATOM 504 CA THR A 66 9.113 72.915 138.846 1.00 81.82 C
505
+ ATOM 505 CB THR A 66 8.105 74.017 139.224 1.00 81.82 C
506
+ ATOM 506 CG2 THR A 66 7.047 74.190 138.138 1.00 81.82 C
507
+ ATOM 507 N THR A 66 10.101 72.718 139.901 1.00 81.82 N
508
+ ATOM 508 O THR A 66 9.435 72.739 136.475 1.00 81.82 O
509
+ ATOM 509 OG1 THR A 66 7.458 73.665 140.453 1.00 81.82 O
510
+ ATOM 510 C MET A 67 12.257 73.331 135.801 1.00 78.81 C
511
+ ATOM 511 CA MET A 67 11.504 74.504 136.418 1.00 78.81 C
512
+ ATOM 512 CB MET A 67 12.484 75.616 136.794 1.00 78.81 C
513
+ ATOM 513 CE MET A 67 15.714 76.305 136.853 1.00 78.81 C
514
+ ATOM 514 CG MET A 67 13.210 76.222 135.604 1.00 78.81 C
515
+ ATOM 515 N MET A 67 10.740 74.075 137.586 1.00 78.81 N
516
+ ATOM 516 O MET A 67 12.213 73.129 134.586 1.00 78.81 O
517
+ ATOM 517 SD MET A 67 14.500 77.427 136.106 1.00 78.81 S
518
+ ATOM 518 C MET A 68 12.781 70.394 135.635 1.00 77.83 C
519
+ ATOM 519 CA MET A 68 13.685 71.479 136.210 1.00 77.83 C
520
+ ATOM 520 CB MET A 68 14.531 70.908 137.349 1.00 77.83 C
521
+ ATOM 521 CE MET A 68 17.845 70.278 136.627 1.00 77.83 C
522
+ ATOM 522 CG MET A 68 15.734 71.764 137.708 1.00 77.83 C
523
+ ATOM 523 N MET A 68 12.899 72.619 136.675 1.00 77.83 N
524
+ ATOM 524 O MET A 68 13.092 69.805 134.599 1.00 77.83 O
525
+ ATOM 525 SD MET A 68 16.970 71.844 136.354 1.00 77.83 S
526
+ ATOM 526 C ALA A 69 10.169 69.567 134.445 1.00 73.33 C
527
+ ATOM 527 CA ALA A 69 10.696 69.180 135.825 1.00 73.33 C
528
+ ATOM 528 CB ALA A 69 9.541 69.045 136.814 1.00 73.33 C
529
+ ATOM 529 N ALA A 69 11.669 70.156 136.307 1.00 73.33 N
530
+ ATOM 530 O ALA A 69 9.994 68.708 133.578 1.00 73.33 O
531
+ ATOM 531 C ARG A 70 10.584 71.210 131.866 1.00 72.74 C
532
+ ATOM 532 CA ARG A 70 9.500 71.340 132.930 1.00 72.74 C
533
+ ATOM 533 CB ARG A 70 9.061 72.801 133.055 1.00 72.74 C
534
+ ATOM 534 CD ARG A 70 7.482 74.618 132.312 1.00 72.74 C
535
+ ATOM 535 CG ARG A 70 8.012 73.217 132.035 1.00 72.74 C
536
+ ATOM 536 CZ ARG A 70 5.908 76.220 131.277 1.00 72.74 C
537
+ ATOM 537 N ARG A 70 9.965 70.834 134.218 1.00 72.74 N
538
+ ATOM 538 NE ARG A 70 6.548 75.053 131.278 1.00 72.74 N
539
+ ATOM 539 NH1 ARG A 70 6.091 77.094 132.261 1.00 72.74 N
540
+ ATOM 540 NH2 ARG A 70 5.080 76.516 130.286 1.00 72.74 N
541
+ ATOM 541 O ARG A 70 10.320 70.742 130.757 1.00 72.74 O
542
+ ATOM 542 C LYS A 71 13.196 70.066 130.935 1.00 71.39 C
543
+ ATOM 543 CA LYS A 71 12.899 71.512 131.326 1.00 71.39 C
544
+ ATOM 544 CB LYS A 71 14.138 72.148 131.956 1.00 71.39 C
545
+ ATOM 545 CD LYS A 71 16.158 73.612 131.618 1.00 71.39 C
546
+ ATOM 546 CE LYS A 71 17.160 74.162 130.612 1.00 71.39 C
547
+ ATOM 547 CG LYS A 71 15.121 72.722 130.946 1.00 71.39 C
548
+ ATOM 548 N LYS A 71 11.763 71.585 132.241 1.00 71.39 N
549
+ ATOM 549 NZ LYS A 71 18.207 74.997 131.272 1.00 71.39 N
550
+ ATOM 550 O LYS A 71 13.542 69.788 129.784 1.00 71.39 O
551
+ ATOM 551 C MET A 72 12.278 67.266 130.721 1.00 65.48 C
552
+ ATOM 552 CA MET A 72 13.348 67.810 131.662 1.00 65.48 C
553
+ ATOM 553 CB MET A 72 13.343 67.020 132.972 1.00 65.48 C
554
+ ATOM 554 CE MET A 72 15.749 64.499 134.652 1.00 65.48 C
555
+ ATOM 555 CG MET A 72 14.716 66.882 133.609 1.00 65.48 C
556
+ ATOM 556 N MET A 72 13.141 69.233 131.917 1.00 65.48 N
557
+ ATOM 557 O MET A 72 12.570 66.441 129.853 1.00 65.48 O
558
+ ATOM 558 SD MET A 72 14.680 65.879 135.146 1.00 65.48 S
559
+ ATOM 559 C LYS A 73 10.267 67.860 128.607 1.00 70.25 C
560
+ ATOM 560 CA LYS A 73 10.054 67.333 130.023 1.00 70.25 C
561
+ ATOM 561 CB LYS A 73 8.707 67.814 130.564 1.00 70.25 C
562
+ ATOM 562 CD LYS A 73 6.224 67.445 130.742 1.00 70.25 C
563
+ ATOM 563 CE LYS A 73 5.017 66.713 130.169 1.00 70.25 C
564
+ ATOM 564 CG LYS A 73 7.517 67.002 130.072 1.00 70.25 C
565
+ ATOM 565 N LYS A 73 11.140 67.748 130.908 1.00 70.25 N
566
+ ATOM 566 NZ LYS A 73 3.744 67.154 130.814 1.00 70.25 N
567
+ ATOM 567 O LYS A 73 10.031 67.146 127.630 1.00 70.25 O
568
+ ATOM 568 C ASP A 74 12.126 69.063 126.525 1.00 69.02 C
569
+ ATOM 569 CA ASP A 74 10.937 69.711 127.232 1.00 69.02 C
570
+ ATOM 570 CB ASP A 74 11.179 71.212 127.401 1.00 69.02 C
571
+ ATOM 571 CG ASP A 74 9.907 72.034 127.292 1.00 69.02 C
572
+ ATOM 572 N ASP A 74 10.692 69.083 128.527 1.00 69.02 N
573
+ ATOM 573 O ASP A 74 12.090 68.848 125.311 1.00 69.02 O
574
+ ATOM 574 OD1 ASP A 74 9.034 71.699 126.462 1.00 69.02 O
575
+ ATOM 575 OD2 ASP A 74 9.778 73.027 128.039 1.00 69.02 O
576
+ ATOM 576 C THR A 75 14.104 66.758 126.232 1.00 65.87 C
577
+ ATOM 577 CA THR A 75 14.387 68.183 126.699 1.00 65.87 C
578
+ ATOM 578 CB THR A 75 15.534 68.170 127.727 1.00 65.87 C
579
+ ATOM 579 CG2 THR A 75 16.825 67.649 127.104 1.00 65.87 C
580
+ ATOM 580 N THR A 75 13.185 68.793 127.255 1.00 65.87 N
581
+ ATOM 581 O THR A 75 14.566 66.345 125.166 1.00 65.87 O
582
+ ATOM 582 OG1 THR A 75 15.752 69.502 128.209 1.00 65.87 O
583
+ ATOM 583 C ASP A 76 12.157 64.712 125.399 1.00 68.16 C
584
+ ATOM 584 CA ASP A 76 12.991 64.734 126.678 1.00 68.16 C
585
+ ATOM 585 CB ASP A 76 12.229 64.051 127.816 1.00 68.16 C
586
+ ATOM 586 CG ASP A 76 13.138 63.298 128.771 1.00 68.16 C
587
+ ATOM 587 N ASP A 76 13.349 66.100 127.048 1.00 68.16 N
588
+ ATOM 588 O ASP A 76 12.359 63.857 124.534 1.00 68.16 O
589
+ ATOM 589 OD1 ASP A 76 14.196 62.794 128.335 1.00 68.16 O
590
+ ATOM 590 OD2 ASP A 76 12.792 63.204 129.968 1.00 68.16 O
591
+ ATOM 591 C SER A 77 11.369 66.241 122.865 1.00 75.73 C
592
+ ATOM 592 CA SER A 77 10.573 65.897 124.119 1.00 75.73 C
593
+ ATOM 593 CB SER A 77 9.474 66.938 124.338 1.00 75.73 C
594
+ ATOM 594 N SER A 77 11.440 65.813 125.289 1.00 75.73 N
595
+ ATOM 595 O SER A 77 11.163 65.639 121.809 1.00 75.73 O
596
+ ATOM 596 OG SER A 77 8.430 66.773 123.396 1.00 75.73 O
597
+ ATOM 597 C GLU A 78 14.044 66.314 121.398 1.00 77.91 C
598
+ ATOM 598 CA GLU A 78 13.167 67.470 121.871 1.00 77.91 C
599
+ ATOM 599 CB GLU A 78 14.036 68.678 122.227 1.00 77.91 C
600
+ ATOM 600 CD GLU A 78 15.315 70.709 121.394 1.00 77.91 C
601
+ ATOM 601 CG GLU A 78 14.475 69.497 121.022 1.00 77.91 C
602
+ ATOM 602 N GLU A 78 12.344 67.076 123.011 1.00 77.91 N
603
+ ATOM 603 O GLU A 78 14.171 66.076 120.195 1.00 77.91 O
604
+ ATOM 604 OE1 GLU A 78 16.115 71.174 120.551 1.00 77.91 O
605
+ ATOM 605 OE2 GLU A 78 15.170 71.198 122.537 1.00 77.91 O
606
+ ATOM 606 C GLU A 79 14.592 63.361 121.393 1.00 78.06 C
607
+ ATOM 607 CA GLU A 79 15.422 64.470 122.034 1.00 78.06 C
608
+ ATOM 608 CB GLU A 79 16.135 63.941 123.280 1.00 78.06 C
609
+ ATOM 609 CD GLU A 79 18.223 64.009 124.726 1.00 78.06 C
610
+ ATOM 610 CG GLU A 79 17.447 64.649 123.585 1.00 78.06 C
611
+ ATOM 611 N GLU A 79 14.592 65.623 122.369 1.00 78.06 N
612
+ ATOM 612 O GLU A 79 15.033 62.726 120.433 1.00 78.06 O
613
+ ATOM 613 OE1 GLU A 79 19.471 64.099 124.736 1.00 78.06 O
614
+ ATOM 614 OE2 GLU A 79 17.577 63.412 125.616 1.00 78.06 O
615
+ ATOM 615 C GLU A 80 12.101 62.582 119.911 1.00 80.78 C
616
+ ATOM 616 CA GLU A 80 12.525 62.221 121.331 1.00 80.78 C
617
+ ATOM 617 CB GLU A 80 11.291 62.059 122.222 1.00 80.78 C
618
+ ATOM 618 CD GLU A 80 10.283 60.986 124.293 1.00 80.78 C
619
+ ATOM 619 CG GLU A 80 11.537 61.216 123.465 1.00 80.78 C
620
+ ATOM 620 N GLU A 80 13.428 63.227 121.884 1.00 80.78 N
621
+ ATOM 621 O GLU A 80 12.101 61.727 119.021 1.00 80.78 O
622
+ ATOM 622 OE1 GLU A 80 10.292 60.099 125.175 1.00 80.78 O
623
+ ATOM 623 OE2 GLU A 80 9.282 61.698 124.055 1.00 80.78 O
624
+ ATOM 624 C ILE A 81 12.664 64.164 117.442 1.00 84.27 C
625
+ ATOM 625 CA ILE A 81 11.498 64.287 118.420 1.00 84.27 C
626
+ ATOM 626 CB ILE A 81 10.996 65.746 118.476 1.00 84.27 C
627
+ ATOM 627 CD1 ILE A 81 9.223 67.255 119.546 1.00 84.27 C
628
+ ATOM 628 CG1 ILE A 81 9.689 65.832 119.273 1.00 84.27 C
629
+ ATOM 629 CG2 ILE A 81 10.813 66.308 117.062 1.00 84.27 C
630
+ ATOM 630 N ILE A 81 11.909 63.813 119.738 1.00 84.27 N
631
+ ATOM 631 O ILE A 81 12.486 63.710 116.308 1.00 84.27 O
632
+ ATOM 632 C ARG A 82 15.324 62.917 116.666 1.00 86.09 C
633
+ ATOM 633 CA ARG A 82 15.054 64.370 117.043 1.00 86.09 C
634
+ ATOM 634 CB ARG A 82 16.272 64.960 117.759 1.00 86.09 C
635
+ ATOM 635 CD ARG A 82 18.507 66.103 117.571 1.00 86.09 C
636
+ ATOM 636 CG ARG A 82 17.384 65.400 116.822 1.00 86.09 C
637
+ ATOM 637 CZ ARG A 82 20.646 67.225 117.039 1.00 86.09 C
638
+ ATOM 638 N ARG A 82 13.863 64.482 117.878 1.00 86.09 N
639
+ ATOM 639 NE ARG A 82 19.558 66.559 116.664 1.00 86.09 N
640
+ ATOM 640 NH1 ARG A 82 20.850 67.528 118.316 1.00 86.09 N
641
+ ATOM 641 NH2 ARG A 82 21.539 67.590 116.131 1.00 86.09 N
642
+ ATOM 642 O ARG A 82 15.638 62.618 115.512 1.00 86.09 O
643
+ ATOM 643 C GLU A 83 14.256 60.124 116.437 1.00 86.46 C
644
+ ATOM 644 CA GLU A 83 15.329 60.648 117.386 1.00 86.46 C
645
+ ATOM 645 CB GLU A 83 15.304 59.858 118.697 1.00 86.46 C
646
+ ATOM 646 CD GLU A 83 16.678 58.886 120.600 1.00 86.46 C
647
+ ATOM 647 CG GLU A 83 16.619 59.892 119.461 1.00 86.46 C
648
+ ATOM 648 N GLU A 83 15.155 62.075 117.645 1.00 86.46 N
649
+ ATOM 649 O GLU A 83 14.559 59.386 115.497 1.00 86.46 O
650
+ ATOM 650 OE1 GLU A 83 17.769 58.331 120.864 1.00 86.46 O
651
+ ATOM 651 OE2 GLU A 83 15.625 58.650 121.232 1.00 86.46 O
652
+ ATOM 652 C ALA A 84 12.203 60.679 114.321 1.00 87.42 C
653
+ ATOM 653 CA ALA A 84 11.950 60.173 115.738 1.00 87.42 C
654
+ ATOM 654 CB ALA A 84 10.628 60.723 116.269 1.00 87.42 C
655
+ ATOM 655 N ALA A 84 13.048 60.538 116.629 1.00 87.42 N
656
+ ATOM 656 O ALA A 84 12.063 59.928 113.353 1.00 87.42 O
657
+ ATOM 657 C PHE A 85 14.123 61.670 112.188 1.00 91.88 C
658
+ ATOM 658 CA PHE A 85 13.038 62.477 112.891 1.00 91.88 C
659
+ ATOM 659 CB PHE A 85 13.494 63.930 113.062 1.00 91.88 C
660
+ ATOM 660 CD1 PHE A 85 14.971 64.837 111.239 1.00 91.88 C
661
+ ATOM 661 CD2 PHE A 85 12.610 65.167 111.060 1.00 91.88 C
662
+ ATOM 662 CE1 PHE A 85 15.162 65.511 110.035 1.00 91.88 C
663
+ ATOM 663 CE2 PHE A 85 12.793 65.843 109.856 1.00 91.88 C
664
+ ATOM 664 CG PHE A 85 13.696 64.660 111.761 1.00 91.88 C
665
+ ATOM 665 CZ PHE A 85 14.069 66.015 109.347 1.00 91.88 C
666
+ ATOM 666 N PHE A 85 12.709 61.888 114.183 1.00 91.88 N
667
+ ATOM 667 O PHE A 85 14.007 61.368 110.998 1.00 91.88 O
668
+ ATOM 668 C ARG A 86 15.695 59.082 111.921 1.00 90.19 C
669
+ ATOM 669 CA ARG A 86 16.180 60.438 112.422 1.00 90.19 C
670
+ ATOM 670 CB ARG A 86 17.281 60.248 113.467 1.00 90.19 C
671
+ ATOM 671 CD ARG A 86 19.316 61.185 114.617 1.00 90.19 C
672
+ ATOM 672 CG ARG A 86 18.177 61.463 113.646 1.00 90.19 C
673
+ ATOM 673 CZ ARG A 86 21.269 62.403 115.523 1.00 90.19 C
674
+ ATOM 674 N ARG A 86 15.076 61.218 112.976 1.00 90.19 N
675
+ ATOM 675 NE ARG A 86 20.105 62.386 114.881 1.00 90.19 N
676
+ ATOM 676 NH1 ARG A 86 21.806 61.278 115.982 1.00 90.19 N
677
+ ATOM 677 NH2 ARG A 86 21.903 63.552 115.707 1.00 90.19 N
678
+ ATOM 678 O ARG A 86 16.224 58.551 110.944 1.00 90.19 O
679
+ ATOM 679 C VAL A 87 13.329 57.445 110.863 1.00 90.00 C
680
+ ATOM 680 CA VAL A 87 14.077 57.293 112.186 1.00 90.00 C
681
+ ATOM 681 CB VAL A 87 13.128 56.743 113.274 1.00 90.00 C
682
+ ATOM 682 CG1 VAL A 87 12.364 55.524 112.760 1.00 90.00 C
683
+ ATOM 683 CG2 VAL A 87 13.912 56.392 114.537 1.00 90.00 C
684
+ ATOM 684 N VAL A 87 14.656 58.574 112.575 1.00 90.00 N
685
+ ATOM 685 O VAL A 87 13.375 56.554 110.010 1.00 90.00 O
686
+ ATOM 686 C PHE A 88 13.020 59.317 108.279 1.00 90.09 C
687
+ ATOM 687 CA PHE A 88 12.073 58.913 109.403 1.00 90.09 C
688
+ ATOM 688 CB PHE A 88 11.029 60.011 109.630 1.00 90.09 C
689
+ ATOM 689 CD1 PHE A 88 8.741 58.969 109.721 1.00 90.09 C
690
+ ATOM 690 CD2 PHE A 88 9.747 59.689 111.767 1.00 90.09 C
691
+ ATOM 691 CE1 PHE A 88 7.616 58.538 110.420 1.00 90.09 C
692
+ ATOM 692 CE2 PHE A 88 8.626 59.262 112.473 1.00 90.09 C
693
+ ATOM 693 CG PHE A 88 9.815 59.547 110.387 1.00 90.09 C
694
+ ATOM 694 CZ PHE A 88 7.561 58.687 111.798 1.00 90.09 C
695
+ ATOM 695 N PHE A 88 12.812 58.646 110.632 1.00 90.09 N
696
+ ATOM 696 O PHE A 88 12.825 58.927 107.125 1.00 90.09 O
697
+ ATOM 697 C ASP A 89 16.080 59.475 107.566 1.00 93.24 C
698
+ ATOM 698 CA ASP A 89 15.015 60.552 107.760 1.00 93.24 C
699
+ ATOM 699 CB ASP A 89 15.663 61.856 108.228 1.00 93.24 C
700
+ ATOM 700 CG ASP A 89 16.657 62.417 107.226 1.00 93.24 C
701
+ ATOM 701 N ASP A 89 13.996 60.116 108.710 1.00 93.24 N
702
+ ATOM 702 O ASP A 89 17.190 59.592 108.091 1.00 93.24 O
703
+ ATOM 703 OD1 ASP A 89 16.624 62.015 106.043 1.00 93.24 O
704
+ ATOM 704 OD2 ASP A 89 17.483 63.267 107.624 1.00 93.24 O
705
+ ATOM 705 C LYS A 90 18.012 57.725 105.884 1.00 89.77 C
706
+ ATOM 706 CA LYS A 90 16.692 57.371 106.563 1.00 89.77 C
707
+ ATOM 707 CB LYS A 90 15.961 56.295 105.759 1.00 89.77 C
708
+ ATOM 708 CD LYS A 90 14.759 54.086 105.881 1.00 89.77 C
709
+ ATOM 709 CE LYS A 90 13.964 53.136 106.765 1.00 89.77 C
710
+ ATOM 710 CG LYS A 90 15.068 55.393 106.600 1.00 89.77 C
711
+ ATOM 711 N LYS A 90 15.850 58.553 106.723 1.00 89.77 N
712
+ ATOM 712 NZ LYS A 90 13.733 51.820 106.098 1.00 89.77 N
713
+ ATOM 713 O LYS A 90 19.043 57.107 106.160 1.00 89.77 O
714
+ ATOM 714 C ASP A 91 19.877 60.150 105.063 1.00 90.91 C
715
+ ATOM 715 CA ASP A 91 19.099 59.046 104.351 1.00 90.91 C
716
+ ATOM 716 CB ASP A 91 18.765 59.476 102.922 1.00 90.91 C
717
+ ATOM 717 CG ASP A 91 17.892 60.718 102.865 1.00 90.91 C
718
+ ATOM 718 N ASP A 91 17.882 58.706 105.082 1.00 90.91 N
719
+ ATOM 719 O ASP A 91 21.018 60.446 104.701 1.00 90.91 O
720
+ ATOM 720 OD1 ASP A 91 17.618 61.319 103.925 1.00 90.91 O
721
+ ATOM 721 OD2 ASP A 91 17.475 61.098 101.749 1.00 90.91 O
722
+ ATOM 722 C GLY A 92 20.208 63.055 106.208 1.00 92.67 C
723
+ ATOM 723 CA GLY A 92 19.986 61.721 106.895 1.00 92.67 C
724
+ ATOM 724 N GLY A 92 19.335 60.740 106.042 1.00 92.67 N
725
+ ATOM 725 O GLY A 92 21.150 63.780 106.536 1.00 92.67 O
726
+ ATOM 726 C ASN A 93 18.862 65.757 105.140 1.00 91.94 C
727
+ ATOM 727 CA ASN A 93 19.584 64.586 104.479 1.00 91.94 C
728
+ ATOM 728 CB ASN A 93 19.106 64.415 103.036 1.00 91.94 C
729
+ ATOM 729 CG ASN A 93 17.616 64.148 102.941 1.00 91.94 C
730
+ ATOM 730 N ASN A 93 19.399 63.349 105.231 1.00 91.94 N
731
+ ATOM 731 ND2 ASN A 93 17.069 64.260 101.737 1.00 91.94 N
732
+ ATOM 732 O ASN A 93 18.997 66.901 104.704 1.00 91.94 O
733
+ ATOM 733 OD1 ASN A 93 16.963 63.846 103.944 1.00 91.94 O
734
+ ATOM 734 C GLY A 94 16.028 66.759 106.454 1.00 93.79 C
735
+ ATOM 735 CA GLY A 94 17.447 66.522 106.932 1.00 93.79 C
736
+ ATOM 736 N GLY A 94 18.138 65.485 106.183 1.00 93.79 N
737
+ ATOM 737 O GLY A 94 15.371 67.708 106.888 1.00 93.79 O
738
+ ATOM 738 C TYR A 95 13.547 64.707 104.958 1.00 94.35 C
739
+ ATOM 739 CA TYR A 95 14.206 66.080 104.986 1.00 94.35 C
740
+ ATOM 740 CB TYR A 95 14.207 66.687 103.580 1.00 94.35 C
741
+ ATOM 741 CD1 TYR A 95 13.966 69.199 103.694 1.00 94.35 C
742
+ ATOM 742 CD2 TYR A 95 16.138 68.287 103.296 1.00 94.35 C
743
+ ATOM 743 CE1 TYR A 95 14.490 70.486 103.640 1.00 94.35 C
744
+ ATOM 744 CE2 TYR A 95 16.673 69.570 103.239 1.00 94.35 C
745
+ ATOM 745 CG TYR A 95 14.781 68.083 103.523 1.00 94.35 C
746
+ ATOM 746 CZ TYR A 95 15.842 70.661 103.412 1.00 94.35 C
747
+ ATOM 747 N TYR A 95 15.565 65.995 105.510 1.00 94.35 N
748
+ ATOM 748 O TYR A 95 14.216 63.693 104.738 1.00 94.35 O
749
+ ATOM 749 OH TYR A 95 16.366 71.934 103.358 1.00 94.35 O
750
+ ATOM 750 C ILE A 96 10.653 63.464 103.899 1.00 95.09 C
751
+ ATOM 751 CA ILE A 96 11.470 63.444 105.191 1.00 95.09 C
752
+ ATOM 752 CB ILE A 96 10.538 63.266 106.410 1.00 95.09 C
753
+ ATOM 753 CD1 ILE A 96 10.511 63.443 108.967 1.00 95.09 C
754
+ ATOM 754 CG1 ILE A 96 11.353 63.277 107.710 1.00 95.09 C
755
+ ATOM 755 CG2 ILE A 96 9.723 61.976 106.285 1.00 95.09 C
756
+ ATOM 756 N ILE A 96 12.258 64.667 105.294 1.00 95.09 N
757
+ ATOM 757 O ILE A 96 9.785 64.321 103.720 1.00 95.09 O
758
+ ATOM 758 C SER A 97 9.122 61.553 101.985 1.00 93.41 C
759
+ ATOM 759 CA SER A 97 10.332 62.467 101.820 1.00 93.41 C
760
+ ATOM 760 CB SER A 97 11.237 61.932 100.710 1.00 93.41 C
761
+ ATOM 761 N SER A 97 11.073 62.594 103.069 1.00 93.41 N
762
+ ATOM 762 O SER A 97 9.031 60.806 102.962 1.00 93.41 O
763
+ ATOM 763 OG SER A 97 11.778 60.672 101.067 1.00 93.41 O
764
+ ATOM 764 C ALA A 98 7.380 59.266 101.072 1.00 91.80 C
765
+ ATOM 765 CA ALA A 98 6.994 60.743 101.066 1.00 91.80 C
766
+ ATOM 766 CB ALA A 98 6.096 61.050 99.870 1.00 91.80 C
767
+ ATOM 767 N ALA A 98 8.180 61.596 101.044 1.00 91.80 N
768
+ ATOM 768 O ALA A 98 6.758 58.459 101.765 1.00 91.80 O
769
+ ATOM 769 C ALA A 99 9.428 57.120 101.660 1.00 91.69 C
770
+ ATOM 770 CA ALA A 99 8.881 57.592 100.316 1.00 91.69 C
771
+ ATOM 771 CB ALA A 99 9.951 57.467 99.234 1.00 91.69 C
772
+ ATOM 772 N ALA A 99 8.401 58.969 100.399 1.00 91.69 N
773
+ ATOM 773 O ALA A 99 9.162 55.992 102.084 1.00 91.69 O
774
+ ATOM 774 C GLU A 100 9.654 57.506 104.639 1.00 94.40 C
775
+ ATOM 775 CA GLU A 100 10.749 57.648 103.586 1.00 94.40 C
776
+ ATOM 776 CB GLU A 100 11.755 58.719 104.015 1.00 94.40 C
777
+ ATOM 777 CD GLU A 100 13.921 59.910 103.425 1.00 94.40 C
778
+ ATOM 778 CG GLU A 100 13.081 58.653 103.271 1.00 94.40 C
779
+ ATOM 779 N GLU A 100 10.186 57.968 102.278 1.00 94.40 N
780
+ ATOM 780 O GLU A 100 9.659 56.554 105.423 1.00 94.40 O
781
+ ATOM 781 OE1 GLU A 100 15.162 59.799 103.552 1.00 94.40 O
782
+ ATOM 782 OE2 GLU A 100 13.334 61.015 103.422 1.00 94.40 O
783
+ ATOM 783 C LEU A 101 6.814 57.069 105.363 1.00 90.62 C
784
+ ATOM 784 CA LEU A 101 7.583 58.373 105.554 1.00 90.62 C
785
+ ATOM 785 CB LEU A 101 6.647 59.565 105.344 1.00 90.62 C
786
+ ATOM 786 CD1 LEU A 101 5.998 59.885 107.744 1.00 90.62 C
787
+ ATOM 787 CD2 LEU A 101 4.566 60.845 105.921 1.00 90.62 C
788
+ ATOM 788 CG LEU A 101 5.479 59.692 106.323 1.00 90.62 C
789
+ ATOM 789 N LEU A 101 8.717 58.446 104.640 1.00 90.62 N
790
+ ATOM 790 O LEU A 101 6.517 56.371 106.336 1.00 90.62 O
791
+ ATOM 791 C ARG A 102 6.597 54.208 104.373 1.00 89.44 C
792
+ ATOM 792 CA ARG A 102 5.833 55.418 103.847 1.00 89.44 C
793
+ ATOM 793 CB ARG A 102 5.614 55.285 102.338 1.00 89.44 C
794
+ ATOM 794 CD ARG A 102 4.557 54.017 100.436 1.00 89.44 C
795
+ ATOM 795 CG ARG A 102 4.775 54.080 101.941 1.00 89.44 C
796
+ ATOM 796 CZ ARG A 102 5.877 53.426 98.431 1.00 89.44 C
797
+ ATOM 797 N ARG A 102 6.539 56.658 104.156 1.00 89.44 N
798
+ ATOM 798 NE ARG A 102 5.706 53.433 99.749 1.00 89.44 N
799
+ ATOM 799 NH1 ARG A 102 4.973 53.974 97.627 1.00 89.44 N
800
+ ATOM 800 NH2 ARG A 102 6.960 52.868 97.910 1.00 89.44 N
801
+ ATOM 801 O ARG A 102 6.003 53.296 104.953 1.00 89.44 O
802
+ ATOM 802 C HIS A 103 8.647 52.930 106.118 1.00 90.24 C
803
+ ATOM 803 CA HIS A 103 8.693 53.111 104.605 1.00 90.24 C
804
+ ATOM 804 CB HIS A 103 10.133 53.358 104.149 1.00 90.24 C
805
+ ATOM 805 CD2 HIS A 103 11.982 51.941 105.290 1.00 90.24 C
806
+ ATOM 806 CE1 HIS A 103 11.924 50.211 103.946 1.00 90.24 C
807
+ ATOM 807 CG HIS A 103 11.036 52.183 104.353 1.00 90.24 C
808
+ ATOM 808 N HIS A 103 7.828 54.205 104.178 1.00 90.24 N
809
+ ATOM 809 ND1 HIS A 103 11.023 51.082 103.524 1.00 90.24 N
810
+ ATOM 810 NE2 HIS A 103 12.520 50.708 105.015 1.00 90.24 N
811
+ ATOM 811 O HIS A 103 8.460 51.815 106.609 1.00 90.24 O
812
+ ATOM 812 C VAL A 104 7.431 53.540 108.791 1.00 88.30 C
813
+ ATOM 813 CA VAL A 104 8.801 53.976 108.275 1.00 88.30 C
814
+ ATOM 814 CB VAL A 104 9.192 55.339 108.886 1.00 88.30 C
815
+ ATOM 815 CG1 VAL A 104 8.992 55.330 110.401 1.00 88.30 C
816
+ ATOM 816 CG2 VAL A 104 10.638 55.685 108.537 1.00 88.30 C
817
+ ATOM 817 N VAL A 104 8.787 54.026 106.817 1.00 88.30 N
818
+ ATOM 818 O VAL A 104 7.336 52.686 109.674 1.00 88.30 O
819
+ ATOM 819 C MET A 105 4.765 52.229 108.426 1.00 87.82 C
820
+ ATOM 820 CA MET A 105 5.036 53.713 108.646 1.00 87.82 C
821
+ ATOM 821 CB MET A 105 4.008 54.551 107.885 1.00 87.82 C
822
+ ATOM 822 CE MET A 105 3.528 57.838 110.433 1.00 87.82 C
823
+ ATOM 823 CG MET A 105 3.912 55.990 108.366 1.00 87.82 C
824
+ ATOM 824 N MET A 105 6.392 54.062 108.232 1.00 87.82 N
825
+ ATOM 825 O MET A 105 4.176 51.567 109.282 1.00 87.82 O
826
+ ATOM 826 SD MET A 105 3.088 56.131 110.000 1.00 87.82 S
827
+ ATOM 827 C THR A 106 5.820 49.507 108.038 1.00 89.27 C
828
+ ATOM 828 CA THR A 106 5.083 50.350 107.002 1.00 89.27 C
829
+ ATOM 829 CB THR A 106 5.621 50.027 105.596 1.00 89.27 C
830
+ ATOM 830 CG2 THR A 106 5.484 48.541 105.282 1.00 89.27 C
831
+ ATOM 831 N THR A 106 5.212 51.771 107.305 1.00 89.27 N
832
+ ATOM 832 O THR A 106 5.305 48.485 108.496 1.00 89.27 O
833
+ ATOM 833 OG1 THR A 106 4.884 50.780 104.624 1.00 89.27 O
834
+ ATOM 834 C ASN A 107 7.134 49.332 110.763 1.00 88.77 C
835
+ ATOM 835 CA ASN A 107 7.798 49.302 109.390 1.00 88.77 C
836
+ ATOM 836 CB ASN A 107 9.202 49.906 109.466 1.00 88.77 C
837
+ ATOM 837 CG ASN A 107 10.125 49.376 108.385 1.00 88.77 C
838
+ ATOM 838 N ASN A 107 6.994 49.999 108.390 1.00 88.77 N
839
+ ATOM 839 ND2 ASN A 107 11.296 49.986 108.255 1.00 88.77 N
840
+ ATOM 840 O ASN A 107 7.324 48.421 111.570 1.00 88.77 O
841
+ ATOM 841 OD1 ASN A 107 9.787 48.427 107.674 1.00 88.77 O
842
+ ATOM 842 C LEU A 108 4.276 49.674 112.192 1.00 84.43 C
843
+ ATOM 843 CA LEU A 108 5.570 50.479 112.248 1.00 84.43 C
844
+ ATOM 844 CB LEU A 108 5.258 51.949 112.540 1.00 84.43 C
845
+ ATOM 845 CD1 LEU A 108 6.028 54.293 112.990 1.00 84.43 C
846
+ ATOM 846 CD2 LEU A 108 6.997 52.383 114.297 1.00 84.43 C
847
+ ATOM 847 CG LEU A 108 6.443 52.826 112.948 1.00 84.43 C
848
+ ATOM 848 N LEU A 108 6.317 50.351 111.002 1.00 84.43 N
849
+ ATOM 849 O LEU A 108 3.545 49.594 113.182 1.00 84.43 O
850
+ ATOM 850 C GLY A 109 1.677 49.019 110.350 1.00 89.86 C
851
+ ATOM 851 CA GLY A 109 2.887 48.279 110.886 1.00 89.86 C
852
+ ATOM 852 N GLY A 109 4.051 49.133 111.056 1.00 89.86 N
853
+ ATOM 853 O GLY A 109 0.576 48.467 110.301 1.00 89.86 O
854
+ ATOM 854 C GLU A 110 0.860 51.065 107.947 1.00 83.54 C
855
+ ATOM 855 CA GLU A 110 0.786 51.054 109.472 1.00 83.54 C
856
+ ATOM 856 CB GLU A 110 0.829 52.485 110.011 1.00 83.54 C
857
+ ATOM 857 CD GLU A 110 0.129 53.996 111.930 1.00 83.54 C
858
+ ATOM 858 CG GLU A 110 0.521 52.592 111.498 1.00 83.54 C
859
+ ATOM 859 N GLU A 110 1.865 50.257 110.046 1.00 83.54 N
860
+ ATOM 860 O GLU A 110 1.886 51.433 107.373 1.00 83.54 O
861
+ ATOM 861 OE1 GLU A 110 -0.478 54.151 113.014 1.00 83.54 O
862
+ ATOM 862 OE2 GLU A 110 0.432 54.950 111.178 1.00 83.54 O
863
+ ATOM 863 C LYS A 111 -0.897 51.722 105.368 1.00 87.56 C
864
+ ATOM 864 CA LYS A 111 -0.141 50.498 105.877 1.00 87.56 C
865
+ ATOM 865 CB LYS A 111 -0.805 49.220 105.360 1.00 87.56 C
866
+ ATOM 866 CD LYS A 111 -0.641 46.743 104.945 1.00 87.56 C
867
+ ATOM 867 CE LYS A 111 0.175 45.479 105.180 1.00 87.56 C
868
+ ATOM 868 CG LYS A 111 0.029 47.964 105.562 1.00 87.56 C
869
+ ATOM 869 N LYS A 111 -0.079 50.488 107.336 1.00 87.56 N
870
+ ATOM 870 NZ LYS A 111 -0.507 44.270 104.628 1.00 87.56 N
871
+ ATOM 871 O LYS A 111 -2.124 51.782 105.456 1.00 87.56 O
872
+ ATOM 872 C LEU A 112 -0.724 53.842 102.947 1.00 85.80 C
873
+ ATOM 873 CA LEU A 112 -0.725 53.906 104.470 1.00 85.80 C
874
+ ATOM 874 CB LEU A 112 0.044 55.144 104.942 1.00 85.80 C
875
+ ATOM 875 CD1 LEU A 112 1.001 56.541 106.790 1.00 85.80 C
876
+ ATOM 876 CD2 LEU A 112 -1.387 55.778 106.904 1.00 85.80 C
877
+ ATOM 877 CG LEU A 112 0.023 55.423 106.445 1.00 85.80 C
878
+ ATOM 878 N LEU A 112 -0.144 52.697 105.042 1.00 85.80 N
879
+ ATOM 879 O LEU A 112 0.193 53.277 102.345 1.00 85.80 O
880
+ ATOM 880 C THR A 113 -1.021 55.738 100.494 1.00 90.72 C
881
+ ATOM 881 CA THR A 113 -1.843 54.531 100.940 1.00 90.72 C
882
+ ATOM 882 CB THR A 113 -3.289 54.675 100.432 1.00 90.72 C
883
+ ATOM 883 CG2 THR A 113 -4.140 53.480 100.849 1.00 90.72 C
884
+ ATOM 884 N THR A 113 -1.804 54.388 102.391 1.00 90.72 N
885
+ ATOM 885 O THR A 113 -0.664 56.588 101.311 1.00 90.72 O
886
+ ATOM 886 OG1 THR A 113 -3.864 55.870 100.975 1.00 90.72 O
887
+ ATOM 887 C ASP A 114 -0.647 58.153 98.952 1.00 88.50 C
888
+ ATOM 888 CA ASP A 114 0.065 56.830 98.678 1.00 88.50 C
889
+ ATOM 889 CB ASP A 114 0.269 56.645 97.173 1.00 88.50 C
890
+ ATOM 890 CG ASP A 114 1.250 55.534 96.840 1.00 88.50 C
891
+ ATOM 891 N ASP A 114 -0.681 55.706 99.235 1.00 88.50 N
892
+ ATOM 892 O ASP A 114 -0.005 59.154 99.276 1.00 88.50 O
893
+ ATOM 893 OD1 ASP A 114 2.137 55.235 97.667 1.00 88.50 O
894
+ ATOM 894 OD2 ASP A 114 1.137 54.956 95.738 1.00 88.50 O
895
+ ATOM 895 C GLU A 115 -2.652 59.757 100.548 1.00 90.73 C
896
+ ATOM 896 CA GLU A 115 -2.721 59.297 99.095 1.00 90.73 C
897
+ ATOM 897 CB GLU A 115 -4.176 59.042 98.693 1.00 90.73 C
898
+ ATOM 898 CD GLU A 115 -5.835 58.654 96.808 1.00 90.73 C
899
+ ATOM 899 CG GLU A 115 -4.384 58.900 97.192 1.00 90.73 C
900
+ ATOM 900 N GLU A 115 -1.913 58.100 98.880 1.00 90.73 N
901
+ ATOM 901 O GLU A 115 -2.551 60.955 100.820 1.00 90.73 O
902
+ ATOM 902 OE1 GLU A 115 -6.193 58.860 95.626 1.00 90.73 O
903
+ ATOM 903 OE2 GLU A 115 -6.619 58.252 97.696 1.00 90.73 O
904
+ ATOM 904 C GLU A 116 -1.232 59.657 103.210 1.00 90.96 C
905
+ ATOM 905 CA GLU A 116 -2.596 59.076 102.845 1.00 90.96 C
906
+ ATOM 906 CB GLU A 116 -2.871 57.820 103.677 1.00 90.96 C
907
+ ATOM 907 CD GLU A 116 -4.537 55.988 104.246 1.00 90.96 C
908
+ ATOM 908 CG GLU A 116 -4.324 57.367 103.641 1.00 90.96 C
909
+ ATOM 909 N GLU A 116 -2.678 58.776 101.419 1.00 90.96 N
910
+ ATOM 910 O GLU A 116 -1.145 60.609 103.988 1.00 90.96 O
911
+ ATOM 911 OE1 GLU A 116 -5.582 55.767 104.898 1.00 90.96 O
912
+ ATOM 912 OE2 GLU A 116 -3.650 55.124 104.067 1.00 90.96 O
913
+ ATOM 913 C VAL A 117 1.302 61.009 102.326 1.00 90.22 C
914
+ ATOM 914 CA VAL A 117 1.144 59.593 102.873 1.00 90.22 C
915
+ ATOM 915 CB VAL A 117 2.197 58.656 102.239 1.00 90.22 C
916
+ ATOM 916 CG1 VAL A 117 3.592 59.273 102.330 1.00 90.22 C
917
+ ATOM 917 CG2 VAL A 117 2.169 57.288 102.916 1.00 90.22 C
918
+ ATOM 918 N VAL A 117 -0.214 59.116 102.628 1.00 90.22 N
919
+ ATOM 919 O VAL A 117 1.860 61.881 102.995 1.00 90.22 O
920
+ ATOM 920 C ASP A 118 0.068 63.594 101.375 1.00 88.52 C
921
+ ATOM 921 CA ASP A 118 0.800 62.556 100.528 1.00 88.52 C
922
+ ATOM 922 CB ASP A 118 0.202 62.511 99.120 1.00 88.52 C
923
+ ATOM 923 CG ASP A 118 1.241 62.247 98.043 1.00 88.52 C
924
+ ATOM 924 N ASP A 118 0.745 61.237 101.150 1.00 88.52 N
925
+ ATOM 925 O ASP A 118 0.535 64.725 101.521 1.00 88.52 O
926
+ ATOM 926 OD1 ASP A 118 2.428 62.582 98.246 1.00 88.52 O
927
+ ATOM 927 OD2 ASP A 118 0.868 61.701 96.982 1.00 88.52 O
928
+ ATOM 928 C GLU A 119 -1.062 64.405 104.029 1.00 89.01 C
929
+ ATOM 929 CA GLU A 119 -1.817 64.063 102.747 1.00 89.01 C
930
+ ATOM 930 CB GLU A 119 -3.167 63.426 103.087 1.00 89.01 C
931
+ ATOM 931 CD GLU A 119 -5.616 63.164 102.466 1.00 89.01 C
932
+ ATOM 932 CG GLU A 119 -4.256 63.714 102.064 1.00 89.01 C
933
+ ATOM 933 N GLU A 119 -1.032 63.177 101.893 1.00 89.01 N
934
+ ATOM 934 O GLU A 119 -1.048 65.560 104.458 1.00 89.01 O
935
+ ATOM 935 OE1 GLU A 119 -6.643 63.622 101.915 1.00 89.01 O
936
+ ATOM 936 OE2 GLU A 119 -5.655 62.268 103.338 1.00 89.01 O
937
+ ATOM 937 C MET A 120 1.597 64.622 105.534 1.00 88.40 C
938
+ ATOM 938 CA MET A 120 0.437 63.666 105.795 1.00 88.40 C
939
+ ATOM 939 CB MET A 120 0.967 62.335 106.332 1.00 88.40 C
940
+ ATOM 940 CE MET A 120 1.211 60.646 109.334 1.00 88.40 C
941
+ ATOM 941 CG MET A 120 -0.095 61.479 107.003 1.00 88.40 C
942
+ ATOM 942 N MET A 120 -0.348 63.456 104.581 1.00 88.40 N
943
+ ATOM 943 O MET A 120 1.875 65.503 106.349 1.00 88.40 O
944
+ ATOM 944 SD MET A 120 0.604 59.964 107.766 1.00 88.40 S
945
+ ATOM 945 C ILE A 121 2.827 66.696 103.836 1.00 89.85 C
946
+ ATOM 946 CA ILE A 121 3.352 65.281 104.071 1.00 89.85 C
947
+ ATOM 947 CB ILE A 121 4.078 64.763 102.810 1.00 89.85 C
948
+ ATOM 948 CD1 ILE A 121 6.095 63.659 103.942 1.00 89.85 C
949
+ ATOM 949 CG1 ILE A 121 4.827 63.462 103.122 1.00 89.85 C
950
+ ATOM 950 CG2 ILE A 121 5.034 65.827 102.261 1.00 89.85 C
951
+ ATOM 951 N ILE A 121 2.251 64.404 104.451 1.00 89.85 N
952
+ ATOM 952 O ILE A 121 3.409 67.670 104.321 1.00 89.85 O
953
+ ATOM 953 C ARG A 122 0.681 68.850 104.141 1.00 88.22 C
954
+ ATOM 954 CA ARG A 122 1.084 68.116 102.865 1.00 88.22 C
955
+ ATOM 955 CB ARG A 122 -0.126 67.967 101.941 1.00 88.22 C
956
+ ATOM 956 CD ARG A 122 -1.676 69.031 100.266 1.00 88.22 C
957
+ ATOM 957 CG ARG A 122 -0.418 69.203 101.105 1.00 88.22 C
958
+ ATOM 958 CZ ARG A 122 -2.253 68.211 98.006 1.00 88.22 C
959
+ ATOM 959 N ARG A 122 1.659 66.811 103.172 1.00 88.22 N
960
+ ATOM 960 NE ARG A 122 -1.362 68.635 98.896 1.00 88.22 N
961
+ ATOM 961 NH1 ARG A 122 -3.539 68.117 98.324 1.00 88.22 N
962
+ ATOM 962 NH2 ARG A 122 -1.857 67.877 96.786 1.00 88.22 N
963
+ ATOM 963 O ARG A 122 0.848 70.067 104.241 1.00 88.22 O
964
+ ATOM 964 C GLU A 123 0.976 69.184 107.097 1.00 89.20 C
965
+ ATOM 965 CA GLU A 123 -0.223 68.669 106.307 1.00 89.20 C
966
+ ATOM 966 CB GLU A 123 -1.005 67.651 107.141 1.00 89.20 C
967
+ ATOM 967 CD GLU A 123 -3.298 66.793 107.821 1.00 89.20 C
968
+ ATOM 968 CG GLU A 123 -2.491 67.604 106.818 1.00 89.20 C
969
+ ATOM 969 N GLU A 123 0.194 68.078 105.039 1.00 89.20 N
970
+ ATOM 970 O GLU A 123 0.882 70.204 107.783 1.00 89.20 O
971
+ ATOM 971 OE1 GLU A 123 -4.548 66.832 107.768 1.00 89.20 O
972
+ ATOM 972 OE2 GLU A 123 -2.674 66.115 108.668 1.00 89.20 O
973
+ ATOM 973 C ALA A 124 4.178 69.872 106.862 1.00 89.01 C
974
+ ATOM 974 CA ALA A 124 3.307 68.904 107.659 1.00 89.01 C
975
+ ATOM 975 CB ALA A 124 4.107 67.656 108.030 1.00 89.01 C
976
+ ATOM 976 N ALA A 124 2.109 68.537 106.910 1.00 89.01 N
977
+ ATOM 977 O ALA A 124 4.996 70.597 107.435 1.00 89.01 O
978
+ ATOM 978 C ASP A 125 4.307 72.087 104.585 1.00 92.02 C
979
+ ATOM 979 CA ASP A 125 4.793 70.639 104.630 1.00 92.02 C
980
+ ATOM 980 CB ASP A 125 4.765 70.031 103.226 1.00 92.02 C
981
+ ATOM 981 CG ASP A 125 5.714 70.720 102.262 1.00 92.02 C
982
+ ATOM 982 N ASP A 125 3.987 69.844 105.549 1.00 92.02 N
983
+ ATOM 983 O ASP A 125 3.578 72.474 103.669 1.00 92.02 O
984
+ ATOM 984 OD1 ASP A 125 6.539 71.549 102.705 1.00 92.02 O
985
+ ATOM 985 OD2 ASP A 125 5.637 70.433 101.048 1.00 92.02 O
986
+ ATOM 986 C ILE A 126 4.927 75.150 104.514 1.00 89.89 C
987
+ ATOM 987 CA ILE A 126 4.329 74.269 105.608 1.00 89.89 C
988
+ ATOM 988 CB ILE A 126 4.707 74.815 107.004 1.00 89.89 C
989
+ ATOM 989 CD1 ILE A 126 4.485 74.341 109.511 1.00 89.89 C
990
+ ATOM 990 CG1 ILE A 126 4.025 73.993 108.102 1.00 89.89 C
991
+ ATOM 991 CG2 ILE A 126 4.340 76.298 107.121 1.00 89.89 C
992
+ ATOM 992 N ILE A 126 4.778 72.892 105.435 1.00 89.89 N
993
+ ATOM 993 O ILE A 126 4.269 76.069 104.019 1.00 89.89 O
994
+ ATOM 994 C ASP A 127 6.492 75.182 101.666 1.00 90.14 C
995
+ ATOM 995 CA ASP A 127 6.783 75.638 103.095 1.00 90.14 C
996
+ ATOM 996 CB ASP A 127 8.293 75.664 103.340 1.00 90.14 C
997
+ ATOM 997 CG ASP A 127 8.950 74.310 103.140 1.00 90.14 C
998
+ ATOM 998 N ASP A 127 6.121 74.774 104.067 1.00 90.14 N
999
+ ATOM 999 O ASP A 127 6.843 75.870 100.706 1.00 90.14 O
1000
+ ATOM 1000 OD1 ASP A 127 8.242 73.330 102.818 1.00 90.14 O
1001
+ ATOM 1001 OD2 ASP A 127 10.185 74.220 103.309 1.00 90.14 O
1002
+ ATOM 1002 C GLY A 128 6.390 73.004 99.308 1.00 90.72 C
1003
+ ATOM 1003 CA GLY A 128 5.310 73.565 100.214 1.00 90.72 C
1004
+ ATOM 1004 N GLY A 128 5.823 74.042 101.488 1.00 90.72 N
1005
+ ATOM 1005 O GLY A 128 6.253 73.023 98.084 1.00 90.72 O
1006
+ ATOM 1006 C ASP A 129 8.361 70.462 98.827 1.00 90.24 C
1007
+ ATOM 1007 CA ASP A 129 8.531 71.960 99.072 1.00 90.24 C
1008
+ ATOM 1008 CB ASP A 129 9.878 72.234 99.745 1.00 90.24 C
1009
+ ATOM 1009 CG ASP A 129 10.051 71.482 101.053 1.00 90.24 C
1010
+ ATOM 1010 N ASP A 129 7.438 72.486 99.885 1.00 90.24 N
1011
+ ATOM 1011 O ASP A 129 9.124 69.863 98.066 1.00 90.24 O
1012
+ ATOM 1012 OD1 ASP A 129 9.040 71.052 101.648 1.00 90.24 O
1013
+ ATOM 1013 OD2 ASP A 129 11.210 71.320 101.494 1.00 90.24 O
1014
+ ATOM 1014 C GLY A 130 7.745 67.576 100.120 1.00 90.67 C
1015
+ ATOM 1015 CA GLY A 130 7.003 68.520 99.192 1.00 90.67 C
1016
+ ATOM 1016 N GLY A 130 7.335 69.918 99.415 1.00 90.67 N
1017
+ ATOM 1017 O GLY A 130 7.703 66.357 99.937 1.00 90.67 O
1018
+ ATOM 1018 C GLN A 131 9.069 67.960 103.419 1.00 92.53 C
1019
+ ATOM 1019 CA GLN A 131 9.256 67.352 102.031 1.00 92.53 C
1020
+ ATOM 1020 CB GLN A 131 10.745 67.269 101.691 1.00 92.53 C
1021
+ ATOM 1021 CD GLN A 131 12.516 66.539 100.035 1.00 92.53 C
1022
+ ATOM 1022 CG GLN A 131 11.032 66.627 100.340 1.00 92.53 C
1023
+ ATOM 1023 N GLN A 131 8.539 68.119 101.020 1.00 92.53 N
1024
+ ATOM 1024 NE2 GLN A 131 12.848 66.050 98.846 1.00 92.53 N
1025
+ ATOM 1025 O GLN A 131 8.601 69.093 103.547 1.00 92.53 O
1026
+ ATOM 1026 OE1 GLN A 131 13.355 66.910 100.862 1.00 92.53 O
1027
+ ATOM 1027 C VAL A 132 10.468 67.823 106.423 1.00 94.08 C
1028
+ ATOM 1028 CA VAL A 132 9.096 67.608 105.788 1.00 94.08 C
1029
+ ATOM 1029 CB VAL A 132 8.265 66.619 106.636 1.00 94.08 C
1030
+ ATOM 1030 CG1 VAL A 132 8.132 67.120 108.074 1.00 94.08 C
1031
+ ATOM 1031 CG2 VAL A 132 6.889 66.406 106.011 1.00 94.08 C
1032
+ ATOM 1032 N VAL A 132 9.255 67.135 104.417 1.00 94.08 N
1033
+ ATOM 1033 O VAL A 132 11.257 66.883 106.547 1.00 94.08 O
1034
+ ATOM 1034 C ASN A 133 11.872 69.238 108.873 1.00 93.99 C
1035
+ ATOM 1035 CA ASN A 133 12.025 69.345 107.358 1.00 93.99 C
1036
+ ATOM 1036 CB ASN A 133 12.548 70.731 106.975 1.00 93.99 C
1037
+ ATOM 1037 CG ASN A 133 11.578 71.840 107.330 1.00 93.99 C
1038
+ ATOM 1038 N ASN A 133 10.769 69.063 106.671 1.00 93.99 N
1039
+ ATOM 1039 ND2 ASN A 133 11.347 72.749 106.390 1.00 93.99 N
1040
+ ATOM 1040 O ASN A 133 10.770 69.008 109.375 1.00 93.99 O
1041
+ ATOM 1041 OD1 ASN A 133 11.042 71.881 108.440 1.00 93.99 O
1042
+ ATOM 1042 C TYR A 134 11.987 70.128 111.735 1.00 92.41 C
1043
+ ATOM 1043 CA TYR A 134 12.940 69.151 111.057 1.00 92.41 C
1044
+ ATOM 1044 CB TYR A 134 14.353 69.325 111.621 1.00 92.41 C
1045
+ ATOM 1045 CD1 TYR A 134 14.648 70.205 113.971 1.00 92.41 C
1046
+ ATOM 1046 CD2 TYR A 134 14.311 67.859 113.673 1.00 92.41 C
1047
+ ATOM 1047 CE1 TYR A 134 14.730 70.026 115.348 1.00 92.41 C
1048
+ ATOM 1048 CE2 TYR A 134 14.390 67.668 115.050 1.00 92.41 C
1049
+ ATOM 1049 CG TYR A 134 14.438 69.126 113.115 1.00 92.41 C
1050
+ ATOM 1050 CZ TYR A 134 14.599 68.756 115.876 1.00 92.41 C
1051
+ ATOM 1051 N TYR A 134 12.940 69.341 109.610 1.00 92.41 N
1052
+ ATOM 1052 O TYR A 134 11.233 69.747 112.633 1.00 92.41 O
1053
+ ATOM 1053 OH TYR A 134 14.678 68.573 117.239 1.00 92.41 O
1054
+ ATOM 1054 C GLU A 135 9.634 71.999 111.671 1.00 91.38 C
1055
+ ATOM 1055 CA GLU A 135 11.104 72.351 111.869 1.00 91.38 C
1056
+ ATOM 1056 CB GLU A 135 11.400 73.730 111.271 1.00 91.38 C
1057
+ ATOM 1057 CD GLU A 135 13.066 75.629 111.009 1.00 91.38 C
1058
+ ATOM 1058 CG GLU A 135 12.761 74.288 111.658 1.00 91.38 C
1059
+ ATOM 1059 N GLU A 135 11.974 71.339 111.277 1.00 91.38 N
1060
+ ATOM 1060 O GLU A 135 8.831 72.113 112.600 1.00 91.38 O
1061
+ ATOM 1061 OE1 GLU A 135 14.007 76.321 111.458 1.00 91.38 O
1062
+ ATOM 1062 OE2 GLU A 135 12.356 75.992 110.045 1.00 91.38 O
1063
+ ATOM 1063 C GLU A 136 7.575 69.929 110.963 1.00 92.28 C
1064
+ ATOM 1064 CA GLU A 136 7.981 71.169 110.170 1.00 92.28 C
1065
+ ATOM 1065 CB GLU A 136 7.837 70.903 108.669 1.00 92.28 C
1066
+ ATOM 1066 CD GLU A 136 8.069 71.869 106.331 1.00 92.28 C
1067
+ ATOM 1067 CG GLU A 136 7.900 72.160 107.814 1.00 92.28 C
1068
+ ATOM 1068 N GLU A 136 9.345 71.577 110.490 1.00 92.28 N
1069
+ ATOM 1069 O GLU A 136 6.443 69.835 111.441 1.00 92.28 O
1070
+ ATOM 1070 OE1 GLU A 136 7.619 72.686 105.496 1.00 92.28 O
1071
+ ATOM 1071 OE2 GLU A 136 8.657 70.815 106.002 1.00 92.28 O
1072
+ ATOM 1072 C PHE A 137 8.028 68.141 113.292 1.00 90.86 C
1073
+ ATOM 1073 CA PHE A 137 8.316 67.827 111.829 1.00 90.86 C
1074
+ ATOM 1074 CB PHE A 137 9.527 66.897 111.719 1.00 90.86 C
1075
+ ATOM 1075 CD1 PHE A 137 9.858 65.202 113.549 1.00 90.86 C
1076
+ ATOM 1076 CD2 PHE A 137 8.540 64.587 111.651 1.00 90.86 C
1077
+ ATOM 1077 CE1 PHE A 137 9.653 63.942 114.106 1.00 90.86 C
1078
+ ATOM 1078 CE2 PHE A 137 8.331 63.326 112.202 1.00 90.86 C
1079
+ ATOM 1079 CG PHE A 137 9.304 65.535 112.319 1.00 90.86 C
1080
+ ATOM 1080 CZ PHE A 137 8.889 63.005 113.429 1.00 90.86 C
1081
+ ATOM 1081 N PHE A 137 8.538 69.052 111.070 1.00 90.86 N
1082
+ ATOM 1082 O PHE A 137 7.097 67.587 113.879 1.00 90.86 O
1083
+ ATOM 1083 C VAL A 138 7.123 70.067 115.453 1.00 87.68 C
1084
+ ATOM 1084 CA VAL A 138 8.515 69.464 115.274 1.00 87.68 C
1085
+ ATOM 1085 CB VAL A 138 9.594 70.482 115.708 1.00 87.68 C
1086
+ ATOM 1086 CG1 VAL A 138 9.251 71.087 117.068 1.00 87.68 C
1087
+ ATOM 1087 CG2 VAL A 138 10.968 69.815 115.748 1.00 87.68 C
1088
+ ATOM 1088 N VAL A 138 8.698 69.046 113.888 1.00 87.68 N
1089
+ ATOM 1089 O VAL A 138 6.437 69.780 116.436 1.00 87.68 O
1090
+ ATOM 1090 C GLN A 139 4.220 70.455 114.520 1.00 83.70 C
1091
+ ATOM 1091 CA GLN A 139 5.358 71.468 114.601 1.00 83.70 C
1092
+ ATOM 1092 CB GLN A 139 5.230 72.492 113.471 1.00 83.70 C
1093
+ ATOM 1093 CD GLN A 139 5.608 74.881 112.724 1.00 83.70 C
1094
+ ATOM 1094 CG GLN A 139 5.909 73.823 113.768 1.00 83.70 C
1095
+ ATOM 1095 N GLN A 139 6.657 70.807 114.547 1.00 83.70 N
1096
+ ATOM 1096 NE2 GLN A 139 5.888 76.138 113.054 1.00 83.70 N
1097
+ ATOM 1097 O GLN A 139 3.177 70.632 115.150 1.00 83.70 O
1098
+ ATOM 1098 OE1 GLN A 139 5.128 74.573 111.628 1.00 83.70 O
1099
+ ATOM 1099 C MET A 140 3.381 67.605 114.928 1.00 79.11 C
1100
+ ATOM 1100 CA MET A 140 3.518 68.414 113.642 1.00 79.11 C
1101
+ ATOM 1101 CB MET A 140 3.881 67.489 112.479 1.00 79.11 C
1102
+ ATOM 1102 CE MET A 140 1.804 65.197 109.806 1.00 79.11 C
1103
+ ATOM 1103 CG MET A 140 2.753 66.561 112.059 1.00 79.11 C
1104
+ ATOM 1104 N MET A 140 4.519 69.466 113.793 1.00 79.11 N
1105
+ ATOM 1105 O MET A 140 2.293 67.124 115.250 1.00 79.11 O
1106
+ ATOM 1106 SD MET A 140 3.294 65.304 110.837 1.00 79.11 S
1107
+ ATOM 1107 C MET A 141 4.097 67.396 117.965 1.00 76.95 C
1108
+ ATOM 1108 CA MET A 141 4.534 66.605 116.737 1.00 76.95 C
1109
+ ATOM 1109 CB MET A 141 5.932 66.026 116.958 1.00 76.95 C
1110
+ ATOM 1110 CE MET A 141 6.909 62.332 116.921 1.00 76.95 C
1111
+ ATOM 1111 CG MET A 141 6.289 64.900 116.001 1.00 76.95 C
1112
+ ATOM 1112 N MET A 141 4.509 67.444 115.542 1.00 76.95 N
1113
+ ATOM 1113 O MET A 141 3.781 66.814 119.004 1.00 76.95 O
1114
+ ATOM 1114 SD MET A 141 5.466 63.319 116.438 1.00 76.95 S
1115
+ ATOM 1115 C THR A 142 2.439 70.031 118.849 1.00 69.90 C
1116
+ ATOM 1116 CA THR A 142 3.888 69.566 118.960 1.00 69.90 C
1117
+ ATOM 1117 CB THR A 142 4.817 70.790 119.060 1.00 69.90 C
1118
+ ATOM 1118 CG2 THR A 142 5.769 70.661 120.244 1.00 69.90 C
1119
+ ATOM 1119 N THR A 142 4.247 68.720 117.827 1.00 69.90 N
1120
+ ATOM 1120 O THR A 142 1.901 70.148 117.746 1.00 69.90 O
1121
+ ATOM 1121 OG1 THR A 142 5.584 70.900 117.855 1.00 69.90 O
1122
+ TER 1122 THR A 142
1123
+ END
6eeb/6eeb_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1123 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C THR A 1 -0.835 64.651 144.924 1.00 72.47 C
2
+ ATOM 2 CA THR A 1 -1.677 64.692 143.652 1.00 72.34 C
3
+ ATOM 3 CB THR A 1 -1.889 63.261 143.126 1.00 62.49 C
4
+ ATOM 4 CG2 THR A 1 -2.640 63.267 141.798 1.00 48.90 C
5
+ ATOM 5 N THR A 1 -1.051 65.540 142.644 1.00 69.18 N
6
+ ATOM 6 O THR A 1 0.344 65.009 144.905 1.00 67.05 O
7
+ ATOM 7 OG1 THR A 1 -0.615 62.634 142.938 1.00 54.67 O
8
+ ATOM 8 C GLU A 2 0.430 63.483 147.386 1.00 70.12 C
9
+ ATOM 9 CA GLU A 2 -0.704 64.494 147.524 1.00 71.25 C
10
+ ATOM 10 CB GLU A 2 -1.633 64.088 148.671 1.00 63.78 C
11
+ ATOM 11 CD GLU A 2 -3.266 64.848 150.464 1.00 57.92 C
12
+ ATOM 12 CG GLU A 2 -2.418 65.248 149.266 1.00 57.21 C
13
+ ATOM 13 N GLU A 2 -1.454 64.619 146.277 1.00 68.54 N
14
+ ATOM 14 O GLU A 2 1.519 63.687 147.927 1.00 68.98 O
15
+ ATOM 15 OE1 GLU A 2 -3.310 63.643 150.800 1.00 62.05 O
16
+ ATOM 16 OE2 GLU A 2 -3.890 65.746 151.070 1.00 55.95 O
17
+ ATOM 17 C GLU A 3 2.273 61.944 145.590 1.00 70.25 C
18
+ ATOM 18 CA GLU A 3 1.116 61.391 146.417 1.00 71.57 C
19
+ ATOM 19 CB GLU A 3 0.546 60.135 145.752 1.00 64.11 C
20
+ ATOM 20 CD GLU A 3 0.606 57.601 145.593 1.00 58.44 C
21
+ ATOM 21 CG GLU A 3 1.278 58.856 146.129 1.00 57.55 C
22
+ ATOM 22 N GLU A 3 0.071 62.395 146.599 1.00 69.29 N
23
+ ATOM 23 O GLU A 3 3.440 61.692 145.898 1.00 68.87 O
24
+ ATOM 24 OE1 GLU A 3 -0.469 57.712 144.961 1.00 61.21 O
25
+ ATOM 25 OE2 GLU A 3 1.158 56.499 145.808 1.00 55.36 O
26
+ ATOM 26 C GLN A 4 3.827 64.311 144.491 1.00 76.37 C
27
+ ATOM 27 CA GLN A 4 3.006 63.278 143.726 1.00 76.18 C
28
+ ATOM 28 CB GLN A 4 2.399 63.912 142.473 1.00 72.80 C
29
+ ATOM 29 CD GLN A 4 1.223 63.551 140.262 1.00 66.41 C
30
+ ATOM 30 CG GLN A 4 1.917 62.900 141.443 1.00 67.64 C
31
+ ATOM 31 N GLN A 4 1.963 62.705 144.568 1.00 75.52 N
32
+ ATOM 32 NE2 GLN A 4 1.275 62.894 139.108 1.00 59.35 N
33
+ ATOM 33 O GLN A 4 5.050 64.365 144.356 1.00 75.69 O
34
+ ATOM 34 OE1 GLN A 4 0.644 64.635 140.384 1.00 65.53 O
35
+ ATOM 35 C ILE A 5 4.762 65.363 147.113 1.00 79.76 C
36
+ ATOM 36 CA ILE A 5 3.800 66.047 146.144 1.00 79.32 C
37
+ ATOM 37 CB ILE A 5 2.791 66.923 146.921 1.00 75.92 C
38
+ ATOM 38 CD1 ILE A 5 0.852 68.571 146.617 1.00 66.56 C
39
+ ATOM 39 CG1 ILE A 5 1.963 67.773 145.950 1.00 68.47 C
40
+ ATOM 40 CG2 ILE A 5 3.514 67.806 147.941 1.00 68.00 C
41
+ ATOM 41 N ILE A 5 3.121 65.044 145.332 1.00 77.78 N
42
+ ATOM 42 O ILE A 5 5.889 65.825 147.308 1.00 79.13 O
43
+ ATOM 43 C ALA A 6 6.447 62.992 147.872 1.00 73.92 C
44
+ ATOM 44 CA ALA A 6 5.192 63.482 148.590 1.00 74.91 C
45
+ ATOM 45 CB ALA A 6 4.433 62.303 149.193 1.00 70.39 C
46
+ ATOM 46 N ALA A 6 4.328 64.234 147.684 1.00 73.76 N
47
+ ATOM 47 O ALA A 6 7.543 63.020 148.436 1.00 72.80 O
48
+ ATOM 48 C GLU A 7 8.378 63.197 145.569 1.00 77.49 C
49
+ ATOM 49 CA GLU A 7 7.412 62.060 145.888 1.00 77.61 C
50
+ ATOM 50 CB GLU A 7 6.954 61.381 144.595 1.00 73.89 C
51
+ ATOM 51 CD GLU A 7 5.838 59.368 143.518 1.00 65.92 C
52
+ ATOM 52 CG GLU A 7 6.308 60.020 144.809 1.00 67.54 C
53
+ ATOM 53 N GLU A 7 6.262 62.541 146.648 1.00 76.89 N
54
+ ATOM 54 O GLU A 7 9.596 63.023 145.645 1.00 76.18 O
55
+ ATOM 55 OE1 GLU A 7 6.050 59.952 142.431 1.00 64.87 O
56
+ ATOM 56 OE2 GLU A 7 5.251 58.267 143.595 1.00 61.00 O
57
+ ATOM 57 C PHE A 8 9.344 65.994 146.265 1.00 79.71 C
58
+ ATOM 58 CA PHE A 8 8.639 65.478 145.015 1.00 79.43 C
59
+ ATOM 59 CB PHE A 8 7.795 66.593 144.391 1.00 76.81 C
60
+ ATOM 60 CD1 PHE A 8 8.473 66.281 141.988 1.00 68.38 C
61
+ ATOM 61 CD2 PHE A 8 6.145 66.232 142.529 1.00 69.09 C
62
+ ATOM 62 CE1 PHE A 8 8.170 66.069 140.645 1.00 67.32 C
63
+ ATOM 63 CE2 PHE A 8 5.835 66.021 141.189 1.00 66.45 C
64
+ ATOM 64 CG PHE A 8 7.465 66.364 142.940 1.00 72.17 C
65
+ ATOM 65 CZ PHE A 8 6.849 65.940 140.249 1.00 66.96 C
66
+ ATOM 66 N PHE A 8 7.810 64.320 145.329 1.00 78.04 N
67
+ ATOM 67 O PHE A 8 10.480 66.466 146.193 1.00 78.39 O
68
+ ATOM 68 C LYS A 9 10.506 65.335 148.986 1.00 82.03 C
69
+ ATOM 69 CA LYS A 9 9.314 66.241 148.692 1.00 83.35 C
70
+ ATOM 70 CB LYS A 9 8.315 66.184 149.849 1.00 79.25 C
71
+ ATOM 71 CD LYS A 9 6.517 67.336 151.181 1.00 69.67 C
72
+ ATOM 72 CE LYS A 9 5.654 68.583 151.317 1.00 66.38 C
73
+ ATOM 73 CG LYS A 9 7.440 67.422 149.972 1.00 71.72 C
74
+ ATOM 74 N LYS A 9 8.667 65.869 147.438 1.00 81.66 N
75
+ ATOM 75 NZ LYS A 9 4.718 68.485 152.477 1.00 58.63 N
76
+ ATOM 76 O LYS A 9 11.540 65.799 149.473 1.00 80.21 O
77
+ ATOM 77 C GLU A 10 12.518 63.467 147.900 1.00 74.50 C
78
+ ATOM 78 CA GLU A 10 11.359 63.120 148.831 1.00 76.20 C
79
+ ATOM 79 CB GLU A 10 10.899 61.681 148.585 1.00 70.01 C
80
+ ATOM 80 CD GLU A 10 11.379 59.207 148.904 1.00 62.37 C
81
+ ATOM 81 CG GLU A 10 11.899 60.629 149.041 1.00 62.69 C
82
+ ATOM 82 N GLU A 10 10.247 64.050 148.658 1.00 73.92 N
83
+ ATOM 83 O GLU A 10 13.678 63.461 148.317 1.00 73.59 O
84
+ ATOM 84 OE1 GLU A 10 10.214 59.025 148.482 1.00 63.15 O
85
+ ATOM 85 OE2 GLU A 10 12.142 58.267 149.225 1.00 58.57 O
86
+ ATOM 86 C ALA A 11 13.929 65.397 146.185 1.00 81.42 C
87
+ ATOM 87 CA ALA A 11 13.228 64.120 145.730 1.00 80.10 C
88
+ ATOM 88 CB ALA A 11 12.652 64.304 144.328 1.00 78.19 C
89
+ ATOM 89 N ALA A 11 12.175 63.736 146.667 1.00 80.04 N
90
+ ATOM 90 O ALA A 11 15.155 65.502 146.106 1.00 80.71 O
91
+ ATOM 91 C PHE A 12 14.663 67.339 148.366 1.00 81.85 C
92
+ ATOM 92 CA PHE A 12 13.695 67.586 147.215 1.00 82.61 C
93
+ ATOM 93 CB PHE A 12 12.559 68.506 147.672 1.00 80.43 C
94
+ ATOM 94 CD1 PHE A 12 13.380 70.856 147.309 1.00 76.71 C
95
+ ATOM 95 CD2 PHE A 12 13.120 70.076 149.553 1.00 78.15 C
96
+ ATOM 96 CE1 PHE A 12 13.815 72.093 147.783 1.00 81.20 C
97
+ ATOM 97 CE2 PHE A 12 13.553 71.308 150.036 1.00 80.01 C
98
+ ATOM 98 CG PHE A 12 13.028 69.840 148.188 1.00 79.25 C
99
+ ATOM 99 CZ PHE A 12 13.901 72.314 149.149 1.00 80.44 C
100
+ ATOM 100 N PHE A 12 13.162 66.327 146.708 1.00 80.67 N
101
+ ATOM 101 O PHE A 12 15.718 67.973 148.444 1.00 80.80 O
102
+ ATOM 102 C SER A 13 16.500 65.473 150.004 1.00 83.05 C
103
+ ATOM 103 CA SER A 13 15.168 66.091 150.420 1.00 84.42 C
104
+ ATOM 104 CB SER A 13 14.440 65.154 151.384 1.00 80.98 C
105
+ ATOM 105 N SER A 13 14.334 66.380 149.259 1.00 84.37 N
106
+ ATOM 106 O SER A 13 17.492 65.577 150.728 1.00 80.16 O
107
+ ATOM 107 OG SER A 13 14.317 63.856 150.826 1.00 70.69 O
108
+ ATOM 108 C LEU A 14 18.640 65.335 147.922 1.00 80.78 C
109
+ ATOM 109 CA LEU A 14 17.666 64.238 148.337 1.00 81.55 C
110
+ ATOM 110 CB LEU A 14 17.397 63.304 147.154 1.00 78.25 C
111
+ ATOM 111 CD1 LEU A 14 16.310 61.264 146.183 1.00 67.00 C
112
+ ATOM 112 CD2 LEU A 14 17.471 61.128 148.403 1.00 67.44 C
113
+ ATOM 113 CG LEU A 14 16.647 62.009 147.470 1.00 71.61 C
114
+ ATOM 114 N LEU A 14 16.417 64.810 148.830 1.00 81.92 N
115
+ ATOM 115 O LEU A 14 19.857 65.153 147.999 1.00 78.25 O
116
+ ATOM 116 C PHE A 15 19.283 68.413 148.347 1.00 82.68 C
117
+ ATOM 117 CA PHE A 15 18.911 67.577 147.128 1.00 83.28 C
118
+ ATOM 118 CB PHE A 15 18.177 68.444 146.102 1.00 80.56 C
119
+ ATOM 119 CD1 PHE A 15 19.118 68.134 143.790 1.00 71.02 C
120
+ ATOM 120 CD2 PHE A 15 17.098 66.989 144.360 1.00 72.02 C
121
+ ATOM 121 CE1 PHE A 15 19.077 67.580 142.512 1.00 72.51 C
122
+ ATOM 122 CE2 PHE A 15 17.050 66.431 143.085 1.00 70.86 C
123
+ ATOM 123 CG PHE A 15 18.130 67.844 144.723 1.00 75.29 C
124
+ ATOM 124 CZ PHE A 15 18.039 66.729 142.162 1.00 72.28 C
125
+ ATOM 125 N PHE A 15 18.092 66.434 147.515 1.00 82.15 N
126
+ ATOM 126 O PHE A 15 20.408 68.911 148.445 1.00 80.60 O
127
+ ATOM 127 C ASP A 16 19.237 68.676 151.434 1.00 78.78 C
128
+ ATOM 128 CA ASP A 16 18.455 69.457 150.381 1.00 81.82 C
129
+ ATOM 129 CB ASP A 16 17.097 69.882 150.942 1.00 76.14 C
130
+ ATOM 130 CG ASP A 16 17.214 70.802 152.145 1.00 72.24 C
131
+ ATOM 131 N ASP A 16 18.282 68.668 149.164 1.00 79.15 N
132
+ ATOM 132 O ASP A 16 18.665 68.216 152.425 1.00 74.99 O
133
+ ATOM 133 OD1 ASP A 16 18.276 71.436 152.327 1.00 75.45 O
134
+ ATOM 134 OD2 ASP A 16 16.236 70.892 152.919 1.00 81.45 O
135
+ ATOM 135 C LYS A 17 21.343 68.172 153.661 1.00 82.43 C
136
+ ATOM 136 CA LYS A 17 21.375 67.700 152.211 1.00 82.45 C
137
+ ATOM 137 CB LYS A 17 22.817 67.673 151.700 1.00 78.07 C
138
+ ATOM 138 CD LYS A 17 22.782 65.456 150.508 1.00 67.69 C
139
+ ATOM 139 CE LYS A 17 22.969 64.738 149.178 1.00 61.17 C
140
+ ATOM 140 CG LYS A 17 22.989 66.958 150.368 1.00 70.09 C
141
+ ATOM 141 N LYS A 17 20.548 68.551 151.362 1.00 82.09 N
142
+ ATOM 142 NZ LYS A 17 22.612 63.292 149.274 1.00 54.72 N
143
+ ATOM 143 O LYS A 17 21.388 67.357 154.586 1.00 80.46 O
144
+ ATOM 144 C ASP A 18 19.939 70.108 155.869 1.00 83.02 C
145
+ ATOM 145 CA ASP A 18 21.341 69.931 155.292 1.00 83.94 C
146
+ ATOM 146 CB ASP A 18 22.115 71.249 155.374 1.00 81.16 C
147
+ ATOM 147 CG ASP A 18 21.473 72.364 154.568 1.00 80.14 C
148
+ ATOM 148 N ASP A 18 21.286 69.456 153.913 1.00 83.61 N
149
+ ATOM 149 O ASP A 18 19.783 70.526 157.018 1.00 80.65 O
150
+ ATOM 150 OD1 ASP A 18 20.424 72.129 153.930 1.00 79.99 O
151
+ ATOM 151 OD2 ASP A 18 22.025 73.486 154.566 1.00 82.35 O
152
+ ATOM 152 C GLY A 19 16.981 71.354 156.016 1.00 83.64 C
153
+ ATOM 153 CA GLY A 19 17.496 69.961 155.710 1.00 84.92 C
154
+ ATOM 154 N GLY A 19 18.858 69.955 155.198 1.00 83.76 N
155
+ ATOM 155 O GLY A 19 16.115 71.527 156.877 1.00 81.09 O
156
+ ATOM 156 C ASP A 20 16.004 74.227 154.999 1.00 86.58 C
157
+ ATOM 157 CA ASP A 20 17.139 73.729 155.892 1.00 89.14 C
158
+ ATOM 158 CB ASP A 20 18.320 74.700 155.833 1.00 86.77 C
159
+ ATOM 159 CG ASP A 20 18.872 74.877 154.430 1.00 85.33 C
160
+ ATOM 160 N ASP A 20 17.560 72.386 155.505 1.00 89.51 N
161
+ ATOM 161 O ASP A 20 15.572 75.375 155.120 1.00 82.17 O
162
+ ATOM 162 OD1 ASP A 20 18.473 74.122 153.517 1.00 84.38 O
163
+ ATOM 163 OD2 ASP A 20 19.716 75.778 154.235 1.00 85.33 O
164
+ ATOM 164 C GLY A 21 14.692 74.340 152.016 1.00 89.07 C
165
+ ATOM 165 CA GLY A 21 14.343 73.636 153.313 1.00 90.12 C
166
+ ATOM 166 N GLY A 21 15.510 73.301 154.114 1.00 89.44 N
167
+ ATOM 167 O GLY A 21 13.807 74.835 151.314 1.00 86.18 O
168
+ ATOM 168 C THR A 22 17.525 74.338 149.821 1.00 90.07 C
169
+ ATOM 169 CA THR A 22 16.404 75.123 150.496 1.00 90.59 C
170
+ ATOM 170 CB THR A 22 16.866 76.571 150.746 1.00 88.40 C
171
+ ATOM 171 CG2 THR A 22 15.790 77.374 151.470 1.00 78.88 C
172
+ ATOM 172 N THR A 22 15.995 74.475 151.737 1.00 90.25 N
173
+ ATOM 173 O THR A 22 18.237 73.573 150.476 1.00 88.56 O
174
+ ATOM 174 OG1 THR A 22 18.054 76.555 151.547 1.00 79.57 O
175
+ ATOM 175 C ILE A 23 19.632 74.960 147.320 1.00 87.51 C
176
+ ATOM 176 CA ILE A 23 18.677 73.856 147.769 1.00 88.64 C
177
+ ATOM 177 CB ILE A 23 18.126 73.093 146.543 1.00 86.65 C
178
+ ATOM 178 CD1 ILE A 23 16.372 71.347 145.877 1.00 77.85 C
179
+ ATOM 179 CG1 ILE A 23 17.217 71.943 146.994 1.00 82.08 C
180
+ ATOM 180 CG2 ILE A 23 19.273 72.573 145.670 1.00 81.37 C
181
+ ATOM 181 N ILE A 23 17.600 74.430 148.567 1.00 88.31 N
182
+ ATOM 182 O ILE A 23 19.217 75.917 146.663 1.00 85.50 O
183
+ ATOM 183 C THR A 24 22.671 75.321 146.029 1.00 90.23 C
184
+ ATOM 184 CA THR A 24 21.937 75.802 147.277 1.00 90.54 C
185
+ ATOM 185 CB THR A 24 22.948 76.031 148.415 1.00 89.26 C
186
+ ATOM 186 CG2 THR A 24 22.243 76.446 149.703 1.00 84.77 C
187
+ ATOM 187 N THR A 24 20.906 74.847 147.670 1.00 90.86 N
188
+ ATOM 188 O THR A 24 22.473 74.189 145.582 1.00 88.77 O
189
+ ATOM 189 OG1 THR A 24 23.676 74.820 148.652 1.00 84.88 O
190
+ ATOM 190 C THR A 25 25.209 74.525 144.707 1.00 88.09 C
191
+ ATOM 191 CA THR A 25 24.340 75.724 144.337 1.00 88.36 C
192
+ ATOM 192 CB THR A 25 25.235 76.889 143.875 1.00 85.93 C
193
+ ATOM 193 CG2 THR A 25 24.407 77.996 143.231 1.00 73.25 C
194
+ ATOM 194 N THR A 25 23.497 76.117 145.461 1.00 88.53 N
195
+ ATOM 195 O THR A 25 25.401 73.617 143.896 1.00 86.33 O
196
+ ATOM 196 OG1 THR A 25 25.933 77.424 145.005 1.00 74.44 O
197
+ ATOM 197 C LYS A 26 25.821 72.173 146.434 1.00 89.09 C
198
+ ATOM 198 CA LYS A 26 26.587 73.492 146.387 1.00 88.83 C
199
+ ATOM 199 CB LYS A 26 27.163 73.812 147.767 1.00 86.23 C
200
+ ATOM 200 CD LYS A 26 28.775 73.214 149.605 1.00 73.75 C
201
+ ATOM 201 CE LYS A 26 29.746 72.167 150.134 1.00 67.45 C
202
+ ATOM 202 CG LYS A 26 28.207 72.816 148.249 1.00 77.05 C
203
+ ATOM 203 N LYS A 26 25.732 74.580 145.922 1.00 88.66 N
204
+ ATOM 204 NZ LYS A 26 30.264 72.526 151.489 1.00 60.95 N
205
+ ATOM 205 O LYS A 26 26.327 71.139 145.992 1.00 87.87 O
206
+ ATOM 206 C GLU A 27 23.399 70.467 145.677 1.00 84.71 C
207
+ ATOM 207 CA GLU A 27 23.829 70.973 147.051 1.00 86.35 C
208
+ ATOM 208 CB GLU A 27 22.599 71.243 147.920 1.00 85.06 C
209
+ ATOM 209 CD GLU A 27 21.726 71.900 150.214 1.00 82.30 C
210
+ ATOM 210 CG GLU A 27 22.917 71.423 149.397 1.00 83.36 C
211
+ ATOM 211 N GLU A 27 24.650 72.175 146.937 1.00 86.39 N
212
+ ATOM 212 O GLU A 27 23.405 69.260 145.424 1.00 82.42 O
213
+ ATOM 213 OE1 GLU A 27 20.828 72.564 149.648 1.00 82.66 O
214
+ ATOM 214 OE2 GLU A 27 21.691 71.607 151.430 1.00 84.56 O
215
+ ATOM 215 C LEU A 28 23.830 70.416 142.725 1.00 83.34 C
216
+ ATOM 216 CA LEU A 28 22.640 71.019 143.464 1.00 83.88 C
217
+ ATOM 217 CB LEU A 28 22.137 72.258 142.719 1.00 82.50 C
218
+ ATOM 218 CD1 LEU A 28 20.537 71.029 141.229 1.00 75.11 C
219
+ ATOM 219 CD2 LEU A 28 21.248 73.364 140.649 1.00 75.16 C
220
+ ATOM 220 CG LEU A 28 21.676 72.043 141.277 1.00 78.92 C
221
+ ATOM 221 N LEU A 28 22.996 71.356 144.837 1.00 84.39 N
222
+ ATOM 222 O LEU A 28 23.689 69.412 142.023 1.00 81.85 O
223
+ ATOM 223 C GLY A 29 26.525 69.117 142.625 1.00 83.83 C
224
+ ATOM 224 CA GLY A 29 26.187 70.535 142.208 1.00 84.07 C
225
+ ATOM 225 N GLY A 29 24.985 71.049 142.847 1.00 84.02 N
226
+ ATOM 226 O GLY A 29 26.905 68.293 141.791 1.00 82.10 O
227
+ ATOM 227 C THR A 30 25.778 66.507 143.843 1.00 82.67 C
228
+ ATOM 228 CA THR A 30 26.665 67.558 144.504 1.00 83.80 C
229
+ ATOM 229 CB THR A 30 26.468 67.513 146.031 1.00 81.62 C
230
+ ATOM 230 CG2 THR A 30 26.710 66.110 146.576 1.00 73.19 C
231
+ ATOM 231 N THR A 30 26.380 68.886 143.972 1.00 84.45 N
232
+ ATOM 232 O THR A 30 26.261 65.453 143.424 1.00 80.19 O
233
+ ATOM 233 OG1 THR A 30 27.387 68.421 146.652 1.00 74.10 O
234
+ ATOM 234 C VAL A 31 23.877 65.680 141.613 1.00 78.03 C
235
+ ATOM 235 CA VAL A 31 23.590 65.865 143.101 1.00 79.09 C
236
+ ATOM 236 CB VAL A 31 22.129 66.323 143.310 1.00 76.83 C
237
+ ATOM 237 CG1 VAL A 31 21.170 65.455 142.497 1.00 71.36 C
238
+ ATOM 238 CG2 VAL A 31 21.765 66.284 144.793 1.00 71.10 C
239
+ ATOM 239 N VAL A 31 24.537 66.816 143.672 1.00 79.06 N
240
+ ATOM 240 O VAL A 31 23.905 64.551 141.115 1.00 75.86 O
241
+ ATOM 241 C MET A 32 25.691 65.878 139.259 1.00 80.82 C
242
+ ATOM 242 CA MET A 32 24.413 66.666 139.529 1.00 80.49 C
243
+ ATOM 243 CB MET A 32 24.528 68.069 138.932 1.00 78.30 C
244
+ ATOM 244 CE MET A 32 23.538 69.635 136.208 1.00 65.78 C
245
+ ATOM 245 CG MET A 32 23.207 68.817 138.864 1.00 73.25 C
246
+ ATOM 246 N MET A 32 24.140 66.739 140.962 1.00 79.87 N
247
+ ATOM 247 O MET A 32 25.757 65.104 138.303 1.00 79.90 O
248
+ ATOM 248 SD MET A 32 23.317 70.350 137.861 1.00 73.54 S
249
+ ATOM 249 C ARG A 33 27.839 63.935 140.216 1.00 80.87 C
250
+ ATOM 250 CA ARG A 33 27.995 65.416 139.885 1.00 80.89 C
251
+ ATOM 251 CB ARG A 33 29.069 66.042 140.778 1.00 78.76 C
252
+ ATOM 252 CD ARG A 33 30.796 67.851 141.073 1.00 73.54 C
253
+ ATOM 253 CG ARG A 33 29.601 67.369 140.263 1.00 75.14 C
254
+ ATOM 254 CZ ARG A 33 30.083 69.684 142.572 1.00 68.96 C
255
+ ATOM 255 N ARG A 33 26.727 66.123 140.036 1.00 80.49 N
256
+ ATOM 256 NE ARG A 33 30.387 68.407 142.360 1.00 67.92 N
257
+ ATOM 257 NH1 ARG A 33 30.138 70.568 141.581 1.00 63.18 N
258
+ ATOM 258 NH2 ARG A 33 29.722 70.082 143.783 1.00 58.74 N
259
+ ATOM 259 O ARG A 33 28.469 63.083 139.587 1.00 80.01 O
260
+ ATOM 260 C SER A 34 26.048 61.516 140.298 1.00 78.03 C
261
+ ATOM 261 CA SER A 34 26.740 62.232 141.454 1.00 80.22 C
262
+ ATOM 262 CB SER A 34 25.884 62.124 142.716 1.00 78.27 C
263
+ ATOM 263 N SER A 34 27.001 63.630 141.129 1.00 80.83 N
264
+ ATOM 264 O SER A 34 26.108 60.289 140.195 1.00 74.94 O
265
+ ATOM 265 OG SER A 34 24.541 62.484 142.445 1.00 73.66 O
266
+ ATOM 266 C LEU A 35 25.664 61.740 137.038 1.00 70.75 C
267
+ ATOM 267 CA LEU A 35 24.730 61.721 138.244 1.00 72.29 C
268
+ ATOM 268 CB LEU A 35 23.460 62.517 137.935 1.00 69.41 C
269
+ ATOM 269 CD1 LEU A 35 21.230 63.426 138.631 1.00 62.78 C
270
+ ATOM 270 CD2 LEU A 35 21.792 61.019 139.062 1.00 63.41 C
271
+ ATOM 271 CG LEU A 35 22.341 62.439 138.973 1.00 65.36 C
272
+ ATOM 272 N LEU A 35 25.396 62.258 139.425 1.00 72.59 N
273
+ ATOM 273 O LEU A 35 25.233 61.489 135.910 1.00 68.59 O
274
+ ATOM 274 C GLY A 36 27.952 63.371 135.323 1.00 68.54 C
275
+ ATOM 275 CA GLY A 36 27.869 62.082 136.118 1.00 69.15 C
276
+ ATOM 276 N GLY A 36 26.856 62.119 137.162 1.00 69.67 N
277
+ ATOM 277 O GLY A 36 28.593 63.417 134.271 1.00 67.10 O
278
+ ATOM 278 C GLN A 37 28.477 66.511 135.921 1.00 74.12 C
279
+ ATOM 279 CA GLN A 37 27.405 65.667 135.237 1.00 75.10 C
280
+ ATOM 280 CB GLN A 37 26.059 66.393 135.280 1.00 71.40 C
281
+ ATOM 281 CD GLN A 37 23.701 66.523 134.370 1.00 64.19 C
282
+ ATOM 282 CG GLN A 37 24.950 65.677 134.521 1.00 65.08 C
283
+ ATOM 283 N GLN A 37 27.297 64.351 135.858 1.00 75.36 N
284
+ ATOM 284 NE2 GLN A 37 22.778 66.074 133.526 1.00 53.46 N
285
+ ATOM 285 O GLN A 37 28.879 66.219 137.049 1.00 70.75 O
286
+ ATOM 286 OE1 GLN A 37 23.564 67.571 135.008 1.00 62.82 O
287
+ ATOM 287 C ASN A 38 29.674 69.848 135.449 1.00 73.00 C
288
+ ATOM 288 CA ASN A 38 30.082 68.400 135.703 1.00 75.04 C
289
+ ATOM 289 CB ASN A 38 31.454 68.118 135.088 1.00 67.42 C
290
+ ATOM 290 CG ASN A 38 32.595 68.453 136.029 1.00 61.52 C
291
+ ATOM 291 N ASN A 38 29.088 67.464 135.187 1.00 74.34 N
292
+ ATOM 292 ND2 ASN A 38 33.804 68.541 135.488 1.00 57.49 N
293
+ ATOM 293 O ASN A 38 30.283 70.533 134.625 1.00 68.59 O
294
+ ATOM 294 OD1 ASN A 38 32.391 68.629 137.234 1.00 58.33 O
295
+ ATOM 295 C PRO A 39 29.229 72.662 136.524 1.00 80.04 C
296
+ ATOM 296 CA PRO A 39 28.267 71.633 135.934 1.00 79.50 C
297
+ ATOM 297 CB PRO A 39 26.902 71.704 136.622 1.00 77.71 C
298
+ ATOM 298 CD PRO A 39 27.855 69.577 137.317 1.00 74.80 C
299
+ ATOM 299 CG PRO A 39 26.991 70.727 137.749 1.00 74.96 C
300
+ ATOM 300 N PRO A 39 28.696 70.253 136.176 1.00 79.47 N
301
+ ATOM 301 O PRO A 39 29.805 72.434 137.590 1.00 78.47 O
302
+ ATOM 302 C THR A 40 29.329 75.594 137.375 1.00 84.06 C
303
+ ATOM 303 CA THR A 40 30.186 74.845 136.359 1.00 84.06 C
304
+ ATOM 304 CB THR A 40 30.646 75.816 135.256 1.00 81.83 C
305
+ ATOM 305 CG2 THR A 40 31.420 75.083 134.165 1.00 77.37 C
306
+ ATOM 306 N THR A 40 29.453 73.716 135.798 1.00 83.33 N
307
+ ATOM 307 O THR A 40 28.107 75.436 137.402 1.00 82.87 O
308
+ ATOM 308 OG1 THR A 40 29.499 76.446 134.672 1.00 80.29 O
309
+ ATOM 309 C GLU A 41 28.315 78.110 138.536 1.00 85.36 C
310
+ ATOM 310 CA GLU A 41 29.283 77.168 139.247 1.00 85.56 C
311
+ ATOM 311 CB GLU A 41 30.266 77.971 140.103 1.00 81.81 C
312
+ ATOM 312 CD GLU A 41 28.870 77.886 142.223 1.00 68.92 C
313
+ ATOM 313 CG GLU A 41 29.603 78.763 141.221 1.00 72.07 C
314
+ ATOM 314 N GLU A 41 30.001 76.330 138.292 1.00 85.36 N
315
+ ATOM 315 O GLU A 41 27.202 78.340 139.013 1.00 83.31 O
316
+ ATOM 316 OE1 GLU A 41 29.223 76.692 142.358 1.00 66.62 O
317
+ ATOM 317 OE2 GLU A 41 27.933 78.396 142.878 1.00 63.67 O
318
+ ATOM 318 C ALA A 42 26.692 78.808 136.059 1.00 83.62 C
319
+ ATOM 319 CA ALA A 42 27.942 79.530 136.556 1.00 84.30 C
320
+ ATOM 320 CB ALA A 42 28.726 80.103 135.378 1.00 81.73 C
321
+ ATOM 321 N ALA A 42 28.786 78.636 137.344 1.00 84.46 N
322
+ ATOM 322 O ALA A 42 25.593 79.366 136.086 1.00 81.70 O
323
+ ATOM 323 C GLU A 43 24.782 76.473 136.275 1.00 82.51 C
324
+ ATOM 324 CA GLU A 43 25.758 76.776 135.143 1.00 82.46 C
325
+ ATOM 325 CB GLU A 43 26.242 75.472 134.503 1.00 80.56 C
326
+ ATOM 326 CD GLU A 43 27.541 74.396 132.604 1.00 74.07 C
327
+ ATOM 327 CG GLU A 43 26.888 75.661 133.137 1.00 75.76 C
328
+ ATOM 328 N GLU A 43 26.891 77.565 135.619 1.00 82.60 N
329
+ ATOM 329 O GLU A 43 23.565 76.539 136.087 1.00 81.34 O
330
+ ATOM 330 OE1 GLU A 43 27.944 73.532 133.414 1.00 72.85 O
331
+ ATOM 331 OE2 GLU A 43 27.652 74.269 131.363 1.00 71.88 O
332
+ ATOM 332 C LEU A 44 23.721 77.133 139.044 1.00 84.37 C
333
+ ATOM 333 CA LEU A 44 24.525 75.900 138.643 1.00 84.67 C
334
+ ATOM 334 CB LEU A 44 25.389 75.436 139.819 1.00 83.85 C
335
+ ATOM 335 CD1 LEU A 44 27.067 73.846 140.790 1.00 80.95 C
336
+ ATOM 336 CD2 LEU A 44 25.000 72.960 139.676 1.00 81.23 C
337
+ ATOM 337 CG LEU A 44 26.051 74.065 139.673 1.00 82.98 C
338
+ ATOM 338 N LEU A 44 25.356 76.178 137.477 1.00 84.48 N
339
+ ATOM 339 O LEU A 44 22.524 77.034 139.326 1.00 83.17 O
340
+ ATOM 340 C GLN A 45 22.569 79.811 138.358 1.00 85.44 C
341
+ ATOM 341 CA GLN A 45 23.668 79.477 139.362 1.00 86.65 C
342
+ ATOM 342 CB GLN A 45 24.677 80.625 139.439 1.00 84.24 C
343
+ ATOM 343 CD GLN A 45 23.715 81.648 141.545 1.00 74.67 C
344
+ ATOM 344 CG GLN A 45 24.128 81.880 140.104 1.00 77.44 C
345
+ ATOM 345 N GLN A 45 24.339 78.230 139.011 1.00 87.09 N
346
+ ATOM 346 NE2 GLN A 45 22.518 82.103 141.899 1.00 70.81 N
347
+ ATOM 347 O GLN A 45 21.494 80.279 138.740 1.00 82.64 O
348
+ ATOM 348 OE1 GLN A 45 24.465 81.065 142.334 1.00 73.69 O
349
+ ATOM 349 C ASP A 46 20.648 78.923 136.244 1.00 82.30 C
350
+ ATOM 350 CA ASP A 46 21.875 79.805 136.026 1.00 83.22 C
351
+ ATOM 351 CB ASP A 46 22.469 79.547 134.641 1.00 80.91 C
352
+ ATOM 352 CG ASP A 46 23.374 80.671 134.165 1.00 75.05 C
353
+ ATOM 353 N ASP A 46 22.876 79.577 137.064 1.00 83.85 N
354
+ ATOM 354 O ASP A 46 19.513 79.378 136.086 1.00 79.95 O
355
+ ATOM 355 OD1 ASP A 46 23.329 81.777 134.744 1.00 72.28 O
356
+ ATOM 356 OD2 ASP A 46 24.137 80.447 133.200 1.00 74.48 O
357
+ ATOM 357 C MET A 47 18.876 77.239 138.045 1.00 81.92 C
358
+ ATOM 358 CA MET A 47 19.732 76.757 136.879 1.00 81.40 C
359
+ ATOM 359 CB MET A 47 20.272 75.356 137.171 1.00 79.59 C
360
+ ATOM 360 CE MET A 47 20.035 72.100 136.672 1.00 63.51 C
361
+ ATOM 361 CG MET A 47 20.883 74.670 135.959 1.00 73.80 C
362
+ ATOM 362 N MET A 47 20.827 77.686 136.619 1.00 81.75 N
363
+ ATOM 363 O MET A 47 17.646 77.199 137.977 1.00 80.48 O
364
+ ATOM 364 SD MET A 47 21.570 73.016 136.359 1.00 70.14 S
365
+ ATOM 365 C ILE A 48 18.024 79.447 139.950 1.00 85.11 C
366
+ ATOM 366 CA ILE A 48 18.799 78.176 140.290 1.00 85.51 C
367
+ ATOM 367 CB ILE A 48 19.788 78.445 141.446 1.00 84.38 C
368
+ ATOM 368 CD1 ILE A 48 21.190 77.279 143.246 1.00 77.75 C
369
+ ATOM 369 CG1 ILE A 48 20.352 77.125 141.984 1.00 80.54 C
370
+ ATOM 370 CG2 ILE A 48 19.110 79.246 142.562 1.00 80.38 C
371
+ ATOM 371 N ILE A 48 19.488 77.686 139.102 1.00 85.66 N
372
+ ATOM 372 O ILE A 48 16.859 79.593 140.331 1.00 83.56 O
373
+ ATOM 373 C ASN A 49 16.781 81.474 137.926 1.00 83.35 C
374
+ ATOM 374 CA ASN A 49 18.041 81.696 138.758 1.00 84.85 C
375
+ ATOM 375 CB ASN A 49 19.028 82.585 138.000 1.00 82.64 C
376
+ ATOM 376 CG ASN A 49 20.101 83.168 138.899 1.00 76.87 C
377
+ ATOM 377 N ASN A 49 18.669 80.432 139.128 1.00 85.65 N
378
+ ATOM 378 ND2 ASN A 49 21.176 83.663 138.297 1.00 72.73 N
379
+ ATOM 379 O ASN A 49 15.837 82.262 138.000 1.00 80.24 O
380
+ ATOM 380 OD1 ASN A 49 19.965 83.171 140.125 1.00 73.29 O
381
+ ATOM 381 C GLU A 50 14.365 79.868 137.148 1.00 81.74 C
382
+ ATOM 382 CA GLU A 50 15.623 80.187 136.344 1.00 82.20 C
383
+ ATOM 383 CB GLU A 50 15.950 79.027 135.399 1.00 78.94 C
384
+ ATOM 384 CD GLU A 50 17.073 78.280 133.246 1.00 66.39 C
385
+ ATOM 385 CG GLU A 50 16.756 79.441 134.176 1.00 69.77 C
386
+ ATOM 386 N GLU A 50 16.754 80.467 137.224 1.00 83.33 N
387
+ ATOM 387 O GLU A 50 13.250 80.147 136.703 1.00 78.40 O
388
+ ATOM 388 OE1 GLU A 50 16.615 77.146 133.513 1.00 62.05 O
389
+ ATOM 389 OE2 GLU A 50 17.786 78.507 132.244 1.00 59.61 O
390
+ ATOM 390 C VAL A 51 13.230 79.675 140.331 1.00 82.51 C
391
+ ATOM 391 CA VAL A 51 13.374 78.861 139.048 1.00 82.04 C
392
+ ATOM 392 CB VAL A 51 13.451 77.354 139.379 1.00 79.89 C
393
+ ATOM 393 CG1 VAL A 51 13.410 76.517 138.102 1.00 71.39 C
394
+ ATOM 394 CG2 VAL A 51 14.716 77.048 140.181 1.00 71.45 C
395
+ ATOM 395 N VAL A 51 14.550 79.309 138.308 1.00 82.00 N
396
+ ATOM 396 O VAL A 51 12.227 79.557 141.040 1.00 80.51 O
397
+ ATOM 397 C ASP A 52 13.279 82.450 141.879 1.00 82.05 C
398
+ ATOM 398 CA ASP A 52 14.252 81.273 141.906 1.00 83.62 C
399
+ ATOM 399 CB ASP A 52 15.676 81.775 142.160 1.00 79.10 C
400
+ ATOM 400 CG ASP A 52 15.823 82.502 143.484 1.00 74.44 C
401
+ ATOM 401 N ASP A 52 14.191 80.511 140.664 1.00 81.73 N
402
+ ATOM 402 O ASP A 52 13.687 83.594 141.665 1.00 78.55 O
403
+ ATOM 403 OD1 ASP A 52 14.969 82.318 144.378 1.00 75.56 O
404
+ ATOM 404 OD2 ASP A 52 16.800 83.268 143.635 1.00 81.00 O
405
+ ATOM 405 C ALA A 53 11.182 84.455 143.075 1.00 85.17 C
406
+ ATOM 406 CA ALA A 53 10.944 83.340 142.061 1.00 84.92 C
407
+ ATOM 407 CB ALA A 53 9.572 82.708 142.284 1.00 81.00 C
408
+ ATOM 408 N ALA A 53 11.991 82.326 142.140 1.00 83.84 N
409
+ ATOM 409 O ALA A 53 10.908 85.625 142.797 1.00 83.95 O
410
+ ATOM 410 C ASP A 54 13.276 85.841 145.259 1.00 85.35 C
411
+ ATOM 411 CA ASP A 54 11.872 85.240 145.277 1.00 86.43 C
412
+ ATOM 412 CB ASP A 54 11.568 84.658 146.660 1.00 84.89 C
413
+ ATOM 413 CG ASP A 54 12.549 83.577 147.078 1.00 83.85 C
414
+ ATOM 414 N ASP A 54 11.726 84.216 144.248 1.00 86.19 N
415
+ ATOM 415 O ASP A 54 13.587 86.730 146.054 1.00 82.99 O
416
+ ATOM 416 OD1 ASP A 54 13.468 83.254 146.296 1.00 83.61 O
417
+ ATOM 417 OD2 ASP A 54 12.398 83.043 148.197 1.00 85.02 O
418
+ ATOM 418 C GLY A 55 16.524 85.753 145.431 1.00 84.08 C
419
+ ATOM 419 CA GLY A 55 15.533 86.003 144.310 1.00 86.87 C
420
+ ATOM 420 N GLY A 55 14.242 85.371 144.535 1.00 85.03 N
421
+ ATOM 421 O GLY A 55 17.440 86.549 145.647 1.00 81.34 O
422
+ ATOM 422 C ASN A 56 18.449 83.817 147.100 1.00 87.89 C
423
+ ATOM 423 CA ASN A 56 17.256 84.704 147.442 1.00 89.87 C
424
+ ATOM 424 CB ASN A 56 16.507 84.142 148.652 1.00 87.78 C
425
+ ATOM 425 CG ASN A 56 16.023 82.722 148.432 1.00 84.51 C
426
+ ATOM 426 N ASN A 56 16.354 84.851 146.304 1.00 90.40 N
427
+ ATOM 427 ND2 ASN A 56 15.465 82.118 149.474 1.00 82.60 N
428
+ ATOM 428 O ASN A 56 19.311 83.573 147.947 1.00 84.13 O
429
+ ATOM 429 OD1 ASN A 56 16.151 82.172 147.335 1.00 81.09 O
430
+ ATOM 430 C GLY A 57 19.609 81.064 145.672 1.00 88.29 C
431
+ ATOM 431 CA GLY A 57 19.690 82.538 145.325 1.00 89.51 C
432
+ ATOM 432 N GLY A 57 18.528 83.294 145.765 1.00 88.63 N
433
+ ATOM 433 O GLY A 57 20.599 80.338 145.555 1.00 85.34 O
434
+ ATOM 434 C THR A 58 17.004 78.703 145.959 1.00 89.75 C
435
+ ATOM 435 CA THR A 58 18.329 79.207 146.525 1.00 90.22 C
436
+ ATOM 436 CB THR A 58 18.358 78.987 148.049 1.00 88.56 C
437
+ ATOM 437 CG2 THR A 58 19.610 79.597 148.669 1.00 83.14 C
438
+ ATOM 438 N THR A 58 18.533 80.612 146.188 1.00 89.87 N
439
+ ATOM 439 O THR A 58 16.199 79.488 145.457 1.00 88.28 O
440
+ ATOM 440 OG1 THR A 58 17.201 79.598 148.635 1.00 83.86 O
441
+ ATOM 441 C ILE A 59 14.813 76.297 146.732 1.00 88.29 C
442
+ ATOM 442 CA ILE A 59 15.571 76.842 145.524 1.00 88.59 C
443
+ ATOM 443 CB ILE A 59 15.825 75.715 144.497 1.00 86.38 C
444
+ ATOM 444 CD1 ILE A 59 17.052 75.179 142.313 1.00 73.81 C
445
+ ATOM 445 CG1 ILE A 59 16.608 76.254 143.295 1.00 78.61 C
446
+ ATOM 446 CG2 ILE A 59 14.503 75.084 144.051 1.00 78.14 C
447
+ ATOM 447 N ILE A 59 16.821 77.456 145.961 1.00 88.47 N
448
+ ATOM 448 O ILE A 59 15.328 75.447 147.464 1.00 86.54 O
449
+ ATOM 449 C ASP A 60 11.779 75.183 147.353 1.00 90.41 C
450
+ ATOM 450 CA ASP A 60 12.748 76.176 147.990 1.00 91.22 C
451
+ ATOM 451 CB ASP A 60 11.974 77.236 148.777 1.00 89.34 C
452
+ ATOM 452 CG ASP A 60 11.064 78.078 147.900 1.00 84.89 C
453
+ ATOM 453 N ASP A 60 13.595 76.805 146.981 1.00 91.32 N
454
+ ATOM 454 O ASP A 60 11.817 74.962 146.140 1.00 88.10 O
455
+ ATOM 455 OD1 ASP A 60 10.673 77.617 146.807 1.00 81.53 O
456
+ ATOM 456 OD2 ASP A 60 10.737 79.215 148.306 1.00 83.29 O
457
+ ATOM 457 C PHE A 61 9.222 73.868 146.467 1.00 86.36 C
458
+ ATOM 458 CA PHE A 61 10.160 73.407 147.575 1.00 87.20 C
459
+ ATOM 459 CB PHE A 61 9.354 72.791 148.724 1.00 85.57 C
460
+ ATOM 460 CD1 PHE A 61 9.076 70.447 147.853 1.00 80.07 C
461
+ ATOM 461 CD2 PHE A 61 7.113 71.710 148.371 1.00 80.60 C
462
+ ATOM 462 CE1 PHE A 61 8.285 69.367 147.467 1.00 80.83 C
463
+ ATOM 463 CE2 PHE A 61 6.316 70.635 147.987 1.00 79.86 C
464
+ ATOM 464 CG PHE A 61 8.498 71.626 148.307 1.00 83.26 C
465
+ ATOM 465 CZ PHE A 61 6.905 69.466 147.534 1.00 78.24 C
466
+ ATOM 466 N PHE A 61 10.975 74.516 148.058 1.00 87.23 N
467
+ ATOM 467 O PHE A 61 9.111 73.214 145.428 1.00 84.09 O
468
+ ATOM 468 C PRO A 62 8.339 75.812 144.226 1.00 86.48 C
469
+ ATOM 469 CA PRO A 62 7.560 75.538 145.510 1.00 87.22 C
470
+ ATOM 470 CB PRO A 62 6.943 76.827 146.059 1.00 85.56 C
471
+ ATOM 471 CD PRO A 62 8.187 75.896 147.930 1.00 82.66 C
472
+ ATOM 472 CG PRO A 62 6.947 76.650 147.544 1.00 82.58 C
473
+ ATOM 473 N PRO A 62 8.419 75.082 146.606 1.00 87.04 N
474
+ ATOM 474 O PRO A 62 7.863 75.496 143.133 1.00 84.79 O
475
+ ATOM 475 C GLU A 63 10.943 75.351 142.590 1.00 82.69 C
476
+ ATOM 476 CA GLU A 63 10.416 76.641 143.214 1.00 84.95 C
477
+ ATOM 477 CB GLU A 63 11.584 77.549 143.608 1.00 84.10 C
478
+ ATOM 478 CD GLU A 63 12.272 79.784 144.602 1.00 82.69 C
479
+ ATOM 479 CG GLU A 63 11.169 78.976 143.937 1.00 83.78 C
480
+ ATOM 480 N GLU A 63 9.571 76.362 144.371 1.00 84.70 N
481
+ ATOM 481 O GLU A 63 11.128 75.274 141.374 1.00 79.84 O
482
+ ATOM 482 OE1 GLU A 63 13.316 79.198 144.970 1.00 84.93 O
483
+ ATOM 483 OE2 GLU A 63 12.093 81.013 144.755 1.00 87.77 O
484
+ ATOM 484 C PHE A 64 10.513 72.379 142.160 1.00 79.73 C
485
+ ATOM 485 CA PHE A 64 11.618 73.032 142.981 1.00 81.62 C
486
+ ATOM 486 CB PHE A 64 11.984 72.142 144.172 1.00 79.99 C
487
+ ATOM 487 CD1 PHE A 64 13.684 70.536 143.245 1.00 74.07 C
488
+ ATOM 488 CD2 PHE A 64 11.569 69.672 143.953 1.00 75.04 C
489
+ ATOM 489 CE1 PHE A 64 14.092 69.254 142.883 1.00 77.01 C
490
+ ATOM 490 CE2 PHE A 64 11.970 68.388 143.593 1.00 75.36 C
491
+ ATOM 491 CG PHE A 64 12.421 70.755 143.782 1.00 77.78 C
492
+ ATOM 492 CZ PHE A 64 13.232 68.181 143.058 1.00 75.94 C
493
+ ATOM 493 N PHE A 64 11.211 74.356 143.436 1.00 82.10 N
494
+ ATOM 494 O PHE A 64 10.785 71.734 141.145 1.00 76.34 O
495
+ ATOM 495 C LEU A 65 7.978 72.611 140.451 1.00 79.06 C
496
+ ATOM 496 CA LEU A 65 8.089 71.987 141.839 1.00 80.17 C
497
+ ATOM 497 CB LEU A 65 6.798 72.232 142.626 1.00 78.35 C
498
+ ATOM 498 CD1 LEU A 65 5.319 71.795 144.602 1.00 69.88 C
499
+ ATOM 499 CD2 LEU A 65 6.613 69.911 143.566 1.00 70.29 C
500
+ ATOM 500 CG LEU A 65 6.611 71.400 143.896 1.00 73.99 C
501
+ ATOM 501 N LEU A 65 9.237 72.525 142.561 1.00 81.17 N
502
+ ATOM 502 O LEU A 65 7.657 71.922 139.481 1.00 76.06 O
503
+ ATOM 503 C THR A 66 9.323 74.107 138.228 1.00 78.13 C
504
+ ATOM 504 CA THR A 66 8.236 74.638 139.158 1.00 78.77 C
505
+ ATOM 505 CB THR A 66 8.428 76.152 139.366 1.00 77.15 C
506
+ ATOM 506 CG2 THR A 66 8.399 76.898 138.036 1.00 70.65 C
507
+ ATOM 507 N THR A 66 8.247 73.923 140.429 1.00 79.64 N
508
+ ATOM 508 O THR A 66 9.092 73.934 137.030 1.00 75.20 O
509
+ ATOM 509 OG1 THR A 66 7.379 76.650 140.205 1.00 71.47 O
510
+ ATOM 510 C MET A 67 11.292 71.980 137.486 1.00 74.60 C
511
+ ATOM 511 CA MET A 67 11.638 73.344 138.072 1.00 75.17 C
512
+ ATOM 512 CB MET A 67 12.883 73.234 138.954 1.00 73.67 C
513
+ ATOM 513 CE MET A 67 15.860 74.051 139.968 1.00 64.39 C
514
+ ATOM 514 CG MET A 67 14.116 72.742 138.213 1.00 70.02 C
515
+ ATOM 515 N MET A 67 10.516 73.884 138.834 1.00 76.32 N
516
+ ATOM 516 O MET A 67 11.568 71.714 136.315 1.00 71.07 O
517
+ ATOM 517 SD MET A 67 15.518 72.383 139.343 1.00 67.88 S
518
+ ATOM 518 C MET A 68 9.297 69.809 136.793 1.00 72.56 C
519
+ ATOM 519 CA MET A 68 10.389 69.741 137.856 1.00 73.27 C
520
+ ATOM 520 CB MET A 68 9.912 68.904 139.043 1.00 70.73 C
521
+ ATOM 521 CE MET A 68 11.342 65.957 138.906 1.00 55.75 C
522
+ ATOM 522 CG MET A 68 11.024 68.513 140.004 1.00 65.75 C
523
+ ATOM 523 N MET A 68 10.775 71.079 138.293 1.00 74.04 N
524
+ ATOM 524 O MET A 68 9.314 69.039 135.830 1.00 69.28 O
525
+ ATOM 525 SD MET A 68 12.304 67.465 139.209 1.00 60.75 S
526
+ ATOM 526 C ALA A 69 7.774 71.297 134.715 1.00 72.45 C
527
+ ATOM 527 CA ALA A 69 7.234 70.821 136.060 1.00 72.54 C
528
+ ATOM 528 CB ALA A 69 6.196 71.806 136.592 1.00 70.69 C
529
+ ATOM 529 N ALA A 69 8.314 70.649 137.028 1.00 73.68 N
530
+ ATOM 530 O ALA A 69 7.355 70.808 133.663 1.00 69.63 O
531
+ ATOM 531 C ARG A 70 10.202 71.831 132.818 1.00 67.27 C
532
+ ATOM 532 CA ARG A 70 9.319 72.859 133.517 1.00 67.58 C
533
+ ATOM 533 CB ARG A 70 10.130 74.119 133.832 1.00 64.87 C
534
+ ATOM 534 CD ARG A 70 10.134 76.593 134.305 1.00 60.45 C
535
+ ATOM 535 CG ARG A 70 9.279 75.359 134.054 1.00 61.02 C
536
+ ATOM 536 CZ ARG A 70 9.794 78.985 134.834 1.00 56.44 C
537
+ ATOM 537 N ARG A 70 8.736 72.307 134.736 1.00 68.55 N
538
+ ATOM 538 NE ARG A 70 9.316 77.779 134.539 1.00 50.55 N
539
+ ATOM 539 NH1 ARG A 70 11.103 79.188 134.936 1.00 40.94 N
540
+ ATOM 540 NH2 ARG A 70 8.959 79.994 135.028 1.00 36.65 N
541
+ ATOM 541 O ARG A 70 10.170 71.710 131.591 1.00 64.00 O
542
+ ATOM 542 C LYS A 71 11.120 69.011 132.415 1.00 57.05 C
543
+ ATOM 543 CA LYS A 71 11.942 70.145 133.022 1.00 57.07 C
544
+ ATOM 544 CB LYS A 71 12.873 69.596 134.104 1.00 53.57 C
545
+ ATOM 545 CD LYS A 71 15.380 69.484 134.301 1.00 53.80 C
546
+ ATOM 546 CE LYS A 71 16.671 70.285 134.414 1.00 42.06 C
547
+ ATOM 547 CG LYS A 71 14.157 70.392 134.279 1.00 51.46 C
548
+ ATOM 548 N LYS A 71 11.078 71.187 133.569 1.00 57.39 N
549
+ ATOM 549 NZ LYS A 71 17.870 69.447 134.110 1.00 37.17 N
550
+ ATOM 550 O LYS A 71 11.513 68.425 131.405 1.00 55.47 O
551
+ ATOM 551 C MET A 72 8.620 68.133 131.190 1.00 51.68 C
552
+ ATOM 552 CA MET A 72 9.192 67.612 132.504 1.00 51.17 C
553
+ ATOM 553 CB MET A 72 8.056 67.277 133.473 1.00 47.46 C
554
+ ATOM 554 CE MET A 72 6.270 64.669 134.714 1.00 34.30 C
555
+ ATOM 555 CG MET A 72 8.479 66.387 134.629 1.00 44.43 C
556
+ ATOM 556 N MET A 72 10.104 68.585 133.098 1.00 52.03 N
557
+ ATOM 557 O MET A 72 8.347 67.355 130.275 1.00 50.15 O
558
+ ATOM 558 SD MET A 72 7.074 65.943 135.725 1.00 44.22 S
559
+ ATOM 559 C LYS A 73 9.145 70.240 128.712 1.00 52.50 C
560
+ ATOM 560 CA LYS A 73 8.058 69.971 129.749 1.00 52.55 C
561
+ ATOM 561 CB LYS A 73 7.298 71.262 130.058 1.00 47.98 C
562
+ ATOM 562 CD LYS A 73 5.085 72.382 130.487 1.00 50.29 C
563
+ ATOM 563 CE LYS A 73 3.602 72.175 130.766 1.00 37.03 C
564
+ ATOM 564 CG LYS A 73 5.822 71.055 130.360 1.00 45.69 C
565
+ ATOM 565 N LYS A 73 8.624 69.405 130.970 1.00 52.63 N
566
+ ATOM 566 NZ LYS A 73 2.882 73.473 130.927 1.00 34.87 N
567
+ ATOM 567 O LYS A 73 8.934 70.035 127.515 1.00 50.94 O
568
+ ATOM 568 C ASP A 74 12.568 70.751 127.686 1.00 48.67 C
569
+ ATOM 569 CA ASP A 74 11.244 71.410 128.068 1.00 48.09 C
570
+ ATOM 570 CB ASP A 74 11.500 72.786 128.685 1.00 43.36 C
571
+ ATOM 571 CG ASP A 74 10.379 73.774 128.418 1.00 41.35 C
572
+ ATOM 572 N ASP A 74 10.485 70.569 128.989 1.00 48.65 N
573
+ ATOM 573 O ASP A 74 13.069 70.949 126.578 1.00 46.51 O
574
+ ATOM 574 OD1 ASP A 74 9.547 73.523 127.520 1.00 43.66 O
575
+ ATOM 575 OD2 ASP A 74 10.329 74.814 129.109 1.00 42.15 O
576
+ ATOM 576 C THR A 75 14.529 67.821 126.882 1.00 48.06 C
577
+ ATOM 577 CA THR A 75 14.337 69.282 127.278 1.00 47.35 C
578
+ ATOM 578 CB THR A 75 15.459 69.705 128.246 1.00 43.11 C
579
+ ATOM 579 CG2 THR A 75 15.788 71.187 128.093 1.00 38.54 C
580
+ ATOM 580 N THR A 75 13.021 69.489 127.871 1.00 48.22 N
581
+ ATOM 581 O THR A 75 15.262 67.519 125.937 1.00 46.04 O
582
+ ATOM 582 OG1 THR A 75 15.038 69.457 129.593 1.00 36.04 O
583
+ ATOM 583 C ASP A 76 12.817 65.511 125.406 1.00 48.02 C
584
+ ATOM 584 CA ASP A 76 13.718 65.630 126.634 1.00 47.76 C
585
+ ATOM 585 CB ASP A 76 13.342 64.565 127.666 1.00 43.18 C
586
+ ATOM 586 CG ASP A 76 14.464 64.268 128.645 1.00 40.52 C
587
+ ATOM 587 N ASP A 76 13.634 66.964 127.219 1.00 48.11 N
588
+ ATOM 588 O ASP A 76 13.063 64.686 124.526 1.00 45.81 O
589
+ ATOM 589 OD1 ASP A 76 15.637 64.573 128.340 1.00 42.67 O
590
+ ATOM 590 OD2 ASP A 76 14.172 63.720 129.731 1.00 38.93 O
591
+ ATOM 591 C SER A 77 12.026 66.687 122.657 1.00 53.26 C
592
+ ATOM 592 CA SER A 77 11.200 66.464 123.920 1.00 52.94 C
593
+ ATOM 593 CB SER A 77 10.030 67.448 123.955 1.00 48.83 C
594
+ ATOM 594 N SER A 77 12.020 66.600 125.119 1.00 53.29 N
595
+ ATOM 595 O SER A 77 11.906 65.933 121.690 1.00 51.93 O
596
+ ATOM 596 OG SER A 77 10.494 68.785 123.876 1.00 45.35 O
597
+ ATOM 597 C GLU A 78 14.571 66.662 121.128 1.00 63.03 C
598
+ ATOM 598 CA GLU A 78 13.754 67.872 121.572 1.00 63.19 C
599
+ ATOM 599 CB GLU A 78 14.664 69.095 121.720 1.00 59.44 C
600
+ ATOM 600 CD GLU A 78 16.011 70.904 120.551 1.00 56.77 C
601
+ ATOM 601 CG GLU A 78 15.182 69.638 120.397 1.00 56.04 C
602
+ ATOM 602 N GLU A 78 13.050 67.603 122.822 1.00 62.75 N
603
+ ATOM 603 O GLU A 78 14.561 66.299 119.949 1.00 61.98 O
604
+ ATOM 604 OE1 GLU A 78 16.061 71.463 121.670 1.00 55.38 O
605
+ ATOM 605 OE2 GLU A 78 16.614 71.339 119.545 1.00 50.73 O
606
+ ATOM 606 C GLU A 79 15.273 63.739 121.264 1.00 61.43 C
607
+ ATOM 607 CA GLU A 79 16.169 64.871 121.759 1.00 61.38 C
608
+ ATOM 608 CB GLU A 79 17.042 64.381 122.917 1.00 57.12 C
609
+ ATOM 609 CD GLU A 79 19.392 63.553 123.411 1.00 55.07 C
610
+ ATOM 610 CG GLU A 79 18.189 63.480 122.484 1.00 53.52 C
611
+ ATOM 611 N GLU A 79 15.381 66.030 122.166 1.00 60.99 N
612
+ ATOM 612 O GLU A 79 15.586 63.083 120.269 1.00 60.25 O
613
+ ATOM 613 OE1 GLU A 79 19.346 64.309 124.408 1.00 53.12 O
614
+ ATOM 614 OE2 GLU A 79 20.391 62.850 123.137 1.00 48.13 O
615
+ ATOM 615 C GLU A 80 12.680 62.794 120.130 1.00 64.59 C
616
+ ATOM 616 CA GLU A 80 13.235 62.445 121.509 1.00 65.01 C
617
+ ATOM 617 CB GLU A 80 12.088 62.251 122.503 1.00 61.39 C
618
+ ATOM 618 CD GLU A 80 11.355 61.362 124.767 1.00 58.24 C
619
+ ATOM 619 CG GLU A 80 12.483 61.484 123.756 1.00 57.68 C
620
+ ATOM 620 N GLU A 80 14.158 63.473 121.983 1.00 64.29 N
621
+ ATOM 621 O GLU A 80 12.573 61.926 119.260 1.00 63.93 O
622
+ ATOM 622 OE1 GLU A 80 10.248 61.885 124.506 1.00 55.88 O
623
+ ATOM 623 OE2 GLU A 80 11.579 60.740 125.830 1.00 51.36 O
624
+ ATOM 624 C ILE A 81 12.880 64.359 117.629 1.00 73.30 C
625
+ ATOM 625 CA ILE A 81 11.798 64.497 118.697 1.00 73.01 C
626
+ ATOM 626 CB ILE A 81 11.270 65.949 118.740 1.00 70.61 C
627
+ ATOM 627 CD1 ILE A 81 9.566 67.476 119.894 1.00 63.52 C
628
+ ATOM 628 CG1 ILE A 81 10.079 66.054 119.699 1.00 65.65 C
629
+ ATOM 629 CG2 ILE A 81 10.888 66.427 117.337 1.00 65.05 C
630
+ ATOM 630 N ILE A 81 12.327 64.082 119.992 1.00 72.67 N
631
+ ATOM 631 O ILE A 81 12.606 63.910 116.513 1.00 72.17 O
632
+ ATOM 632 C ARG A 82 15.407 63.096 116.683 1.00 77.04 C
633
+ ATOM 633 CA ARG A 82 15.216 64.563 117.050 1.00 76.85 C
634
+ ATOM 634 CB ARG A 82 16.511 65.131 117.635 1.00 73.83 C
635
+ ATOM 635 CD ARG A 82 18.869 65.923 117.236 1.00 66.60 C
636
+ ATOM 636 CG ARG A 82 17.606 65.354 116.603 1.00 68.43 C
637
+ ATOM 637 CZ ARG A 82 19.621 68.265 116.989 1.00 60.23 C
638
+ ATOM 638 N ARG A 82 14.113 64.729 117.991 1.00 75.87 N
639
+ ATOM 639 NE ARG A 82 18.761 67.363 117.452 1.00 57.20 N
640
+ ATOM 640 NH1 ARG A 82 20.676 67.892 116.272 1.00 44.41 N
641
+ ATOM 641 NH2 ARG A 82 19.428 69.551 117.245 1.00 40.09 N
642
+ ATOM 642 O ARG A 82 15.640 62.767 115.518 1.00 76.19 O
643
+ ATOM 643 C GLU A 83 14.325 60.312 116.597 1.00 75.49 C
644
+ ATOM 644 CA GLU A 83 15.444 60.788 117.517 1.00 75.26 C
645
+ ATOM 645 CB GLU A 83 15.434 59.983 118.819 1.00 71.15 C
646
+ ATOM 646 CD GLU A 83 16.731 59.214 120.864 1.00 62.60 C
647
+ ATOM 647 CG GLU A 83 16.776 59.953 119.535 1.00 64.55 C
648
+ ATOM 648 N GLU A 83 15.327 62.216 117.798 1.00 74.30 N
649
+ ATOM 649 O GLU A 83 14.567 59.550 115.659 1.00 74.31 O
650
+ ATOM 650 OE1 GLU A 83 15.643 58.734 121.255 1.00 60.81 O
651
+ ATOM 651 OE2 GLU A 83 17.794 59.116 121.518 1.00 56.20 O
652
+ ATOM 652 C ALA A 84 12.260 60.840 114.628 1.00 78.79 C
653
+ ATOM 653 CA ALA A 84 12.044 60.354 116.059 1.00 77.78 C
654
+ ATOM 654 CB ALA A 84 10.729 60.901 116.610 1.00 76.30 C
655
+ ATOM 655 N ALA A 84 13.158 60.744 116.919 1.00 77.73 N
656
+ ATOM 656 O ALA A 84 11.992 60.110 113.671 1.00 78.19 O
657
+ ATOM 657 C PHE A 85 14.088 61.757 112.414 1.00 80.85 C
658
+ ATOM 658 CA PHE A 85 13.058 62.612 113.140 1.00 81.55 C
659
+ ATOM 659 CB PHE A 85 13.560 64.056 113.256 1.00 79.17 C
660
+ ATOM 660 CD1 PHE A 85 12.729 65.201 111.176 1.00 74.47 C
661
+ ATOM 661 CD2 PHE A 85 15.084 64.876 111.433 1.00 76.40 C
662
+ ATOM 662 CE1 PHE A 85 12.944 65.820 109.947 1.00 79.83 C
663
+ ATOM 663 CE2 PHE A 85 15.307 65.494 110.206 1.00 78.70 C
664
+ ATOM 664 CG PHE A 85 13.796 64.724 111.929 1.00 77.36 C
665
+ ATOM 665 CZ PHE A 85 14.236 65.964 109.464 1.00 79.17 C
666
+ ATOM 666 N PHE A 85 12.765 62.065 114.459 1.00 79.73 N
667
+ ATOM 667 O PHE A 85 13.966 61.515 111.212 1.00 80.00 O
668
+ ATOM 668 C ARG A 86 15.614 59.152 112.019 1.00 82.20 C
669
+ ATOM 669 CA ARG A 86 16.158 60.488 112.513 1.00 82.43 C
670
+ ATOM 670 CB ARG A 86 17.297 60.255 113.508 1.00 78.46 C
671
+ ATOM 671 CD ARG A 86 19.464 61.074 114.497 1.00 67.05 C
672
+ ATOM 672 CG ARG A 86 18.280 61.412 113.601 1.00 69.98 C
673
+ ATOM 673 CZ ARG A 86 21.255 62.330 115.651 1.00 60.59 C
674
+ ATOM 674 N ARG A 86 15.101 61.291 113.122 1.00 81.66 N
675
+ ATOM 675 NE ARG A 86 20.336 62.229 114.694 1.00 59.33 N
676
+ ATOM 676 NH1 ARG A 86 21.439 61.343 116.521 1.00 45.82 N
677
+ ATOM 677 NH2 ARG A 86 21.994 63.426 115.739 1.00 41.46 N
678
+ ATOM 678 O ARG A 86 16.089 58.616 111.015 1.00 80.27 O
679
+ ATOM 679 C VAL A 87 13.363 57.533 111.062 1.00 80.61 C
680
+ ATOM 680 CA VAL A 87 14.044 57.365 112.418 1.00 80.46 C
681
+ ATOM 681 CB VAL A 87 13.027 56.855 113.466 1.00 77.54 C
682
+ ATOM 682 CG1 VAL A 87 12.205 55.698 112.901 1.00 68.87 C
683
+ ATOM 683 CG2 VAL A 87 13.748 56.430 114.744 1.00 68.74 C
684
+ ATOM 684 N VAL A 87 14.647 58.629 112.828 1.00 80.14 N
685
+ ATOM 685 O VAL A 87 13.410 56.632 110.221 1.00 79.09 O
686
+ ATOM 686 C PHE A 88 13.053 59.425 108.495 1.00 83.47 C
687
+ ATOM 687 CA PHE A 88 12.102 58.964 109.593 1.00 84.16 C
688
+ ATOM 688 CB PHE A 88 11.001 60.007 109.807 1.00 81.82 C
689
+ ATOM 689 CD1 PHE A 88 8.871 58.681 109.992 1.00 73.77 C
690
+ ATOM 690 CD2 PHE A 88 9.669 59.828 111.932 1.00 74.77 C
691
+ ATOM 691 CE1 PHE A 88 7.780 58.205 110.717 1.00 76.69 C
692
+ ATOM 692 CE2 PHE A 88 8.583 59.357 112.662 1.00 75.35 C
693
+ ATOM 693 CG PHE A 88 9.824 59.495 110.593 1.00 77.84 C
694
+ ATOM 694 CZ PHE A 88 7.638 58.546 112.053 1.00 75.94 C
695
+ ATOM 695 N PHE A 88 12.825 58.718 110.835 1.00 82.89 N
696
+ ATOM 696 O PHE A 88 12.876 59.076 107.326 1.00 81.67 O
697
+ ATOM 697 C ASP A 89 16.059 59.690 107.652 1.00 79.54 C
698
+ ATOM 698 CA ASP A 89 15.021 60.772 107.940 1.00 82.73 C
699
+ ATOM 699 CB ASP A 89 15.708 62.031 108.477 1.00 76.69 C
700
+ ATOM 700 CG ASP A 89 16.700 62.629 107.494 1.00 71.68 C
701
+ ATOM 701 N ASP A 89 14.015 60.296 108.885 1.00 79.68 N
702
+ ATOM 702 O ASP A 89 17.203 59.785 108.100 1.00 76.34 O
703
+ ATOM 703 OD1 ASP A 89 16.613 62.332 106.284 1.00 74.98 O
704
+ ATOM 704 OD2 ASP A 89 17.576 63.403 107.936 1.00 80.95 O
705
+ ATOM 705 C LYS A 90 18.024 57.863 106.046 1.00 81.60 C
706
+ ATOM 706 CA LYS A 90 16.718 57.476 106.736 1.00 81.90 C
707
+ ATOM 707 CB LYS A 90 15.989 56.409 105.917 1.00 77.77 C
708
+ ATOM 708 CD LYS A 90 15.461 54.774 107.758 1.00 68.08 C
709
+ ATOM 709 CE LYS A 90 14.360 54.081 108.548 1.00 62.98 C
710
+ ATOM 710 CG LYS A 90 14.888 55.688 106.681 1.00 70.07 C
711
+ ATOM 711 N LYS A 90 15.863 58.644 106.933 1.00 81.43 N
712
+ ATOM 712 NZ LYS A 90 14.915 53.247 109.656 1.00 55.88 N
713
+ ATOM 713 O LYS A 90 19.077 57.291 106.335 1.00 79.66 O
714
+ ATOM 714 C ASP A 91 19.928 60.256 105.079 1.00 82.07 C
715
+ ATOM 715 CA ASP A 91 19.166 59.128 104.389 1.00 83.75 C
716
+ ATOM 716 CB ASP A 91 18.839 59.519 102.946 1.00 81.27 C
717
+ ATOM 717 CG ASP A 91 17.956 60.751 102.852 1.00 79.32 C
718
+ ATOM 718 N ASP A 91 17.946 58.796 105.117 1.00 83.97 N
719
+ ATOM 719 O ASP A 91 20.993 60.669 104.614 1.00 79.16 O
720
+ ATOM 720 OD1 ASP A 91 17.574 61.310 103.903 1.00 78.81 O
721
+ ATOM 721 OD2 ASP A 91 17.638 61.166 101.716 1.00 80.29 O
722
+ ATOM 722 C GLY A 92 20.402 63.240 106.249 1.00 79.33 C
723
+ ATOM 723 CA GLY A 92 20.281 61.885 106.921 1.00 81.13 C
724
+ ATOM 724 N GLY A 92 19.567 60.908 106.114 1.00 79.78 N
725
+ ATOM 725 O GLY A 92 21.344 63.988 106.515 1.00 76.92 O
726
+ ATOM 726 C ASN A 93 19.009 65.943 105.156 1.00 84.99 C
727
+ ATOM 727 CA ASN A 93 19.769 64.796 104.495 1.00 87.59 C
728
+ ATOM 728 CB ASN A 93 19.332 64.640 103.037 1.00 84.94 C
729
+ ATOM 729 CG ASN A 93 17.845 64.377 102.899 1.00 81.47 C
730
+ ATOM 730 N ASN A 93 19.588 63.544 105.221 1.00 87.95 N
731
+ ATOM 731 ND2 ASN A 93 17.361 64.345 101.662 1.00 80.43 N
732
+ ATOM 732 O ASN A 93 19.031 67.073 104.664 1.00 80.36 O
733
+ ATOM 733 OD1 ASN A 93 17.137 64.205 103.894 1.00 78.05 O
734
+ ATOM 734 C GLY A 94 16.230 66.913 106.650 1.00 85.64 C
735
+ ATOM 735 CA GLY A 94 17.674 66.735 107.076 1.00 87.10 C
736
+ ATOM 736 N GLY A 94 18.362 65.686 106.341 1.00 85.43 N
737
+ ATOM 737 O GLY A 94 15.577 67.885 107.040 1.00 82.68 O
738
+ ATOM 738 C TYR A 95 13.590 64.659 105.382 1.00 87.69 C
739
+ ATOM 739 CA TYR A 95 14.247 66.031 105.288 1.00 89.56 C
740
+ ATOM 740 CB TYR A 95 14.183 66.543 103.846 1.00 86.58 C
741
+ ATOM 741 CD1 TYR A 95 13.771 69.034 103.778 1.00 74.58 C
742
+ ATOM 742 CD2 TYR A 95 16.000 68.244 103.440 1.00 76.33 C
743
+ ATOM 743 CE1 TYR A 95 14.206 70.347 103.628 1.00 79.24 C
744
+ ATOM 744 CE2 TYR A 95 16.446 69.554 103.288 1.00 77.07 C
745
+ ATOM 745 CG TYR A 95 14.660 67.966 103.685 1.00 80.48 C
746
+ ATOM 746 CZ TYR A 95 15.543 70.596 103.385 1.00 80.23 C
747
+ ATOM 747 N TYR A 95 15.627 65.983 105.754 1.00 87.86 N
748
+ ATOM 748 O TYR A 95 14.271 63.633 105.314 1.00 85.10 O
749
+ ATOM 749 OH TYR A 95 15.979 71.894 103.236 1.00 69.88 O
750
+ ATOM 750 C ILE A 96 10.712 63.456 104.214 1.00 85.60 C
751
+ ATOM 751 CA ILE A 96 11.487 63.424 105.529 1.00 86.84 C
752
+ ATOM 752 CB ILE A 96 10.515 63.269 106.720 1.00 84.22 C
753
+ ATOM 753 CD1 ILE A 96 10.416 63.436 109.275 1.00 75.54 C
754
+ ATOM 754 CG1 ILE A 96 11.291 63.253 108.043 1.00 79.41 C
755
+ ATOM 755 CG2 ILE A 96 9.668 62.002 106.566 1.00 78.41 C
756
+ ATOM 756 N ILE A 96 12.296 64.632 105.653 1.00 85.94 N
757
+ ATOM 757 O ILE A 96 9.898 64.354 103.987 1.00 83.37 O
758
+ ATOM 758 C SER A 97 9.120 61.475 102.216 1.00 88.46 C
759
+ ATOM 759 CA SER A 97 10.323 62.404 102.094 1.00 89.03 C
760
+ ATOM 760 CB SER A 97 11.261 61.895 100.998 1.00 87.13 C
761
+ ATOM 761 N SER A 97 11.034 62.520 103.363 1.00 88.94 N
762
+ ATOM 762 O SER A 97 8.980 60.759 103.208 1.00 86.60 O
763
+ ATOM 763 OG SER A 97 11.601 60.537 101.219 1.00 80.56 O
764
+ ATOM 764 C ALA A 98 7.567 59.153 101.228 1.00 86.76 C
765
+ ATOM 765 CA ALA A 98 7.098 60.605 101.177 1.00 86.94 C
766
+ ATOM 766 CB ALA A 98 6.272 60.849 99.916 1.00 84.56 C
767
+ ATOM 767 N ALA A 98 8.230 61.525 101.231 1.00 86.98 N
768
+ ATOM 768 O ALA A 98 6.949 58.318 101.893 1.00 84.81 O
769
+ ATOM 769 C ALA A 99 9.660 57.071 101.806 1.00 86.77 C
770
+ ATOM 770 CA ALA A 99 9.188 57.518 100.427 1.00 86.89 C
771
+ ATOM 771 CB ALA A 99 10.338 57.445 99.425 1.00 84.31 C
772
+ ATOM 772 N ALA A 99 8.639 58.871 100.473 1.00 86.28 N
773
+ ATOM 773 O ALA A 99 9.436 55.925 102.205 1.00 85.35 O
774
+ ATOM 774 C GLU A 100 9.725 57.445 104.822 1.00 82.95 C
775
+ ATOM 775 CA GLU A 100 10.871 57.640 103.833 1.00 84.83 C
776
+ ATOM 776 CB GLU A 100 11.802 58.755 104.321 1.00 83.29 C
777
+ ATOM 777 CD GLU A 100 13.992 59.996 103.982 1.00 80.96 C
778
+ ATOM 778 CG GLU A 100 13.142 58.795 103.601 1.00 81.58 C
779
+ ATOM 779 N GLU A 100 10.369 57.941 102.496 1.00 84.61 N
780
+ ATOM 780 O GLU A 100 9.773 56.549 105.667 1.00 80.79 O
781
+ ATOM 781 OE1 GLU A 100 13.430 61.095 104.193 1.00 81.87 O
782
+ ATOM 782 OE2 GLU A 100 15.231 59.838 104.070 1.00 83.83 O
783
+ ATOM 783 C LEU A 101 6.858 56.829 105.409 1.00 82.21 C
784
+ ATOM 784 CA LEU A 101 7.572 58.152 105.667 1.00 83.48 C
785
+ ATOM 785 CB LEU A 101 6.612 59.320 105.420 1.00 81.70 C
786
+ ATOM 786 CD1 LEU A 101 5.618 59.335 107.722 1.00 73.98 C
787
+ ATOM 787 CD2 LEU A 101 4.434 60.494 105.838 1.00 74.37 C
788
+ ATOM 788 CG LEU A 101 5.314 59.311 106.228 1.00 77.94 C
789
+ ATOM 789 N LEU A 101 8.755 58.277 104.823 1.00 83.59 N
790
+ ATOM 790 O LEU A 101 6.481 56.128 106.351 1.00 80.00 O
791
+ ATOM 791 C ARG A 102 6.774 54.027 104.377 1.00 83.53 C
792
+ ATOM 792 CA ARG A 102 5.997 55.220 103.830 1.00 84.16 C
793
+ ATOM 793 CB ARG A 102 5.861 55.105 102.311 1.00 81.63 C
794
+ ATOM 794 CD ARG A 102 4.978 53.815 100.336 1.00 72.38 C
795
+ ATOM 795 CG ARG A 102 5.033 53.915 101.854 1.00 74.76 C
796
+ ATOM 796 CZ ARG A 102 3.516 54.906 98.667 1.00 65.91 C
797
+ ATOM 797 N ARG A 102 6.643 56.477 104.195 1.00 84.60 N
798
+ ATOM 798 NE ARG A 102 4.291 54.960 99.746 1.00 65.98 N
799
+ ATOM 799 NH1 ARG A 102 3.313 53.755 98.035 1.00 55.60 N
800
+ ATOM 800 NH2 ARG A 102 2.939 56.009 98.214 1.00 51.54 N
801
+ ATOM 801 O ARG A 102 6.185 53.095 104.929 1.00 81.15 O
802
+ ATOM 802 C HIS A 103 8.817 52.865 106.167 1.00 81.61 C
803
+ ATOM 803 CA HIS A 103 8.969 53.065 104.663 1.00 82.84 C
804
+ ATOM 804 CB HIS A 103 10.431 53.353 104.316 1.00 79.81 C
805
+ ATOM 805 CD2 HIS A 103 12.300 52.241 105.727 1.00 68.87 C
806
+ ATOM 806 CE1 HIS A 103 12.348 50.299 104.711 1.00 67.99 C
807
+ ATOM 807 CG HIS A 103 11.372 52.273 104.743 1.00 73.17 C
808
+ ATOM 808 N HIS A 103 8.108 54.142 104.185 1.00 82.43 N
809
+ ATOM 809 ND1 HIS A 103 11.425 51.044 104.123 1.00 67.59 N
810
+ ATOM 810 NE2 HIS A 103 12.893 51.003 105.688 1.00 66.57 N
811
+ ATOM 811 O HIS A 103 8.636 51.738 106.632 1.00 79.13 O
812
+ ATOM 812 C VAL A 104 7.399 53.333 108.783 1.00 78.13 C
813
+ ATOM 813 CA VAL A 104 8.783 53.807 108.341 1.00 79.92 C
814
+ ATOM 814 CB VAL A 104 9.115 55.166 108.995 1.00 77.33 C
815
+ ATOM 815 CG1 VAL A 104 8.847 55.122 110.499 1.00 70.36 C
816
+ ATOM 816 CG2 VAL A 104 10.567 55.551 108.719 1.00 69.99 C
817
+ ATOM 817 N VAL A 104 8.836 53.885 106.885 1.00 79.58 N
818
+ ATOM 818 O VAL A 104 7.282 52.468 109.654 1.00 75.51 O
819
+ ATOM 819 C MET A 105 4.677 52.099 108.221 1.00 79.86 C
820
+ ATOM 820 CA MET A 105 4.989 53.555 108.547 1.00 80.56 C
821
+ ATOM 821 CB MET A 105 3.989 54.475 107.844 1.00 77.67 C
822
+ ATOM 822 CE MET A 105 1.886 55.873 110.057 1.00 64.09 C
823
+ ATOM 823 CG MET A 105 4.063 55.924 108.299 1.00 72.48 C
824
+ ATOM 824 N MET A 105 6.356 53.894 108.163 1.00 80.07 N
825
+ ATOM 825 O MET A 105 4.006 51.415 108.996 1.00 77.12 O
826
+ ATOM 826 SD MET A 105 3.682 56.120 110.084 1.00 70.88 S
827
+ ATOM 827 C THR A 106 5.698 49.284 107.645 1.00 79.46 C
828
+ ATOM 828 CA THR A 106 4.982 50.214 106.669 1.00 80.18 C
829
+ ATOM 829 CB THR A 106 5.516 49.977 105.245 1.00 77.59 C
830
+ ATOM 830 CG2 THR A 106 5.354 48.518 104.833 1.00 69.25 C
831
+ ATOM 831 N THR A 106 5.144 51.608 107.069 1.00 80.33 N
832
+ ATOM 832 O THR A 106 5.163 48.238 108.018 1.00 77.56 O
833
+ ATOM 833 OG1 THR A 106 4.792 50.804 104.326 1.00 71.50 O
834
+ ATOM 834 C ASN A 107 6.974 48.840 110.357 1.00 73.71 C
835
+ ATOM 835 CA ASN A 107 7.666 48.887 108.998 1.00 76.80 C
836
+ ATOM 836 CB ASN A 107 9.077 49.462 109.141 1.00 72.30 C
837
+ ATOM 837 CG ASN A 107 9.975 49.101 107.975 1.00 65.34 C
838
+ ATOM 838 N ASN A 107 6.894 49.657 108.030 1.00 75.92 N
839
+ ATOM 839 ND2 ASN A 107 11.099 49.798 107.855 1.00 62.24 N
840
+ ATOM 840 O ASN A 107 7.165 47.895 111.124 1.00 70.51 O
841
+ ATOM 841 OD1 ASN A 107 9.662 48.204 107.189 1.00 63.11 O
842
+ ATOM 842 C LEU A 108 4.059 49.162 111.818 1.00 68.15 C
843
+ ATOM 843 CA LEU A 108 5.376 49.916 111.971 1.00 71.28 C
844
+ ATOM 844 CB LEU A 108 5.104 51.360 112.397 1.00 67.90 C
845
+ ATOM 845 CD1 LEU A 108 5.928 53.625 113.088 1.00 60.39 C
846
+ ATOM 846 CD2 LEU A 108 6.872 51.566 114.168 1.00 61.81 C
847
+ ATOM 847 CG LEU A 108 6.312 52.164 112.881 1.00 63.44 C
848
+ ATOM 848 N LEU A 108 6.141 49.884 110.728 1.00 70.18 N
849
+ ATOM 849 O LEU A 108 3.257 49.108 112.753 1.00 66.51 O
850
+ ATOM 850 C GLY A 109 1.370 48.601 109.962 1.00 67.78 C
851
+ ATOM 851 CA GLY A 109 2.527 47.797 110.524 1.00 69.09 C
852
+ ATOM 852 N GLY A 109 3.720 48.597 110.754 1.00 68.56 N
853
+ ATOM 853 O GLY A 109 0.245 48.103 109.875 1.00 65.43 O
854
+ ATOM 854 C GLU A 110 0.573 50.709 107.682 1.00 70.47 C
855
+ ATOM 855 CA GLU A 110 0.569 50.735 109.208 1.00 71.71 C
856
+ ATOM 856 CB GLU A 110 0.697 52.175 109.709 1.00 67.13 C
857
+ ATOM 857 CD GLU A 110 -0.897 52.103 111.687 1.00 62.85 C
858
+ ATOM 858 CG GLU A 110 0.532 52.319 111.215 1.00 63.02 C
859
+ ATOM 859 N GLU A 110 1.639 49.904 109.753 1.00 72.19 N
860
+ ATOM 860 O GLU A 110 1.614 50.921 107.055 1.00 65.92 O
861
+ ATOM 861 OE1 GLU A 110 -1.826 52.154 110.850 1.00 64.85 O
862
+ ATOM 862 OE2 GLU A 110 -1.090 51.883 112.904 1.00 61.59 O
863
+ ATOM 863 C LYS A 111 -1.242 51.673 105.172 1.00 70.62 C
864
+ ATOM 864 CA LYS A 111 -0.615 50.344 105.584 1.00 72.00 C
865
+ ATOM 865 CB LYS A 111 -1.481 49.181 105.096 1.00 65.77 C
866
+ ATOM 866 CD LYS A 111 -1.678 46.719 104.615 1.00 59.45 C
867
+ ATOM 867 CE LYS A 111 -1.046 45.347 104.800 1.00 52.16 C
868
+ ATOM 868 CG LYS A 111 -0.817 47.819 105.222 1.00 60.30 C
869
+ ATOM 869 N LYS A 111 -0.433 50.275 107.031 1.00 72.30 N
870
+ ATOM 870 NZ LYS A 111 -1.899 44.261 104.230 1.00 45.22 N
871
+ ATOM 871 O LYS A 111 -2.384 51.964 105.531 1.00 65.52 O
872
+ ATOM 872 C LEU A 112 -0.992 53.842 102.865 1.00 74.31 C
873
+ ATOM 873 CA LEU A 112 -0.977 53.855 104.389 1.00 74.78 C
874
+ ATOM 874 CB LEU A 112 -0.118 55.017 104.893 1.00 71.50 C
875
+ ATOM 875 CD1 LEU A 112 0.918 56.310 106.775 1.00 65.19 C
876
+ ATOM 876 CD2 LEU A 112 -1.511 55.684 106.872 1.00 65.79 C
877
+ ATOM 877 CG LEU A 112 -0.123 55.259 106.404 1.00 68.25 C
878
+ ATOM 878 N LEU A 112 -0.481 52.588 104.916 1.00 74.41 N
879
+ ATOM 879 O LEU A 112 -0.076 53.307 102.235 1.00 71.79 O
880
+ ATOM 880 C THR A 113 -1.161 55.639 100.423 1.00 80.71 C
881
+ ATOM 881 CA THR A 113 -2.066 54.477 100.821 1.00 80.58 C
882
+ ATOM 882 CB THR A 113 -3.497 54.743 100.317 1.00 77.72 C
883
+ ATOM 883 CG2 THR A 113 -4.457 53.656 100.790 1.00 71.19 C
884
+ ATOM 884 N THR A 113 -2.043 54.275 102.265 1.00 79.74 N
885
+ ATOM 885 O THR A 113 -0.808 56.474 101.260 1.00 79.13 O
886
+ ATOM 886 OG1 THR A 113 -3.946 56.009 100.814 1.00 75.49 O
887
+ ATOM 887 C ASP A 114 -0.578 58.077 98.860 1.00 82.06 C
888
+ ATOM 888 CA ASP A 114 0.136 56.748 98.619 1.00 81.88 C
889
+ ATOM 889 CB ASP A 114 0.430 56.573 97.127 1.00 79.36 C
890
+ ATOM 890 CG ASP A 114 1.438 55.471 96.848 1.00 73.32 C
891
+ ATOM 891 N ASP A 114 -0.655 55.629 99.120 1.00 81.37 N
892
+ ATOM 892 O ASP A 114 0.063 59.086 99.161 1.00 80.89 O
893
+ ATOM 893 OD1 ASP A 114 2.199 55.094 97.765 1.00 71.32 O
894
+ ATOM 894 OD2 ASP A 114 1.474 54.980 95.699 1.00 73.58 O
895
+ ATOM 895 C GLU A 115 -2.663 59.713 100.481 1.00 82.19 C
896
+ ATOM 896 CA GLU A 115 -2.751 59.244 99.031 1.00 82.40 C
897
+ ATOM 897 CB GLU A 115 -4.213 59.017 98.639 1.00 78.61 C
898
+ ATOM 898 CD GLU A 115 -4.264 57.723 96.453 1.00 67.41 C
899
+ ATOM 899 CG GLU A 115 -4.462 59.066 97.139 1.00 70.36 C
900
+ ATOM 900 N GLU A 115 -1.967 58.031 98.820 1.00 81.71 N
901
+ ATOM 901 O GLU A 115 -2.538 60.910 100.746 1.00 80.26 O
902
+ ATOM 902 OE1 GLU A 115 -4.087 56.703 97.156 1.00 66.33 O
903
+ ATOM 903 OE2 GLU A 115 -4.286 57.692 95.202 1.00 61.91 O
904
+ ATOM 904 C GLU A 116 -1.298 59.680 103.137 1.00 81.71 C
905
+ ATOM 905 CA GLU A 116 -2.668 59.115 102.774 1.00 82.01 C
906
+ ATOM 906 CB GLU A 116 -2.976 57.888 103.637 1.00 80.26 C
907
+ ATOM 907 CD GLU A 116 -4.715 56.188 104.369 1.00 75.33 C
908
+ ATOM 908 CG GLU A 116 -4.448 57.501 103.653 1.00 76.83 C
909
+ ATOM 909 N GLU A 116 -2.741 58.777 101.356 1.00 81.70 N
910
+ ATOM 910 O GLU A 116 -1.200 60.639 103.907 1.00 80.38 O
911
+ ATOM 911 OE1 GLU A 116 -3.851 55.283 104.321 1.00 75.33 O
912
+ ATOM 912 OE2 GLU A 116 -5.798 56.062 104.983 1.00 74.90 O
913
+ ATOM 913 C VAL A 117 1.307 60.948 102.211 1.00 83.95 C
914
+ ATOM 914 CA VAL A 117 1.145 59.534 102.766 1.00 83.96 C
915
+ ATOM 915 CB VAL A 117 2.190 58.588 102.131 1.00 82.33 C
916
+ ATOM 916 CG1 VAL A 117 3.587 59.201 102.204 1.00 76.81 C
917
+ ATOM 917 CG2 VAL A 117 2.163 57.226 102.821 1.00 77.10 C
918
+ ATOM 918 N VAL A 117 -0.217 59.064 102.530 1.00 83.54 N
919
+ ATOM 919 O VAL A 117 1.845 61.828 102.887 1.00 82.90 O
920
+ ATOM 920 C ASP A 118 0.148 63.549 101.209 1.00 83.86 C
921
+ ATOM 921 CA ASP A 118 0.896 62.492 100.399 1.00 84.50 C
922
+ ATOM 922 CB ASP A 118 0.338 62.429 98.975 1.00 82.15 C
923
+ ATOM 923 CG ASP A 118 1.256 61.699 98.011 1.00 76.31 C
924
+ ATOM 924 N ASP A 118 0.811 61.184 101.039 1.00 84.36 N
925
+ ATOM 925 O ASP A 118 0.620 64.680 101.347 1.00 81.94 O
926
+ ATOM 926 OD1 ASP A 118 2.449 61.506 98.332 1.00 74.11 O
927
+ ATOM 927 OD2 ASP A 118 0.782 61.314 96.920 1.00 76.50 O
928
+ ATOM 928 C GLU A 119 -1.061 64.399 103.826 1.00 83.29 C
929
+ ATOM 929 CA GLU A 119 -1.795 64.039 102.539 1.00 83.96 C
930
+ ATOM 930 CB GLU A 119 -3.162 63.431 102.866 1.00 80.95 C
931
+ ATOM 931 CD GLU A 119 -5.531 63.869 103.673 1.00 69.65 C
932
+ ATOM 932 CG GLU A 119 -4.104 64.386 103.585 1.00 72.88 C
933
+ ATOM 933 N GLU A 119 -1.009 63.121 101.721 1.00 84.03 N
934
+ ATOM 934 O GLU A 119 -1.067 65.558 104.248 1.00 80.94 O
935
+ ATOM 935 OE1 GLU A 119 -5.786 62.716 103.255 1.00 68.55 O
936
+ ATOM 936 OE2 GLU A 119 -6.401 64.623 104.163 1.00 65.51 O
937
+ ATOM 937 C MET A 120 1.434 64.611 105.390 1.00 83.14 C
938
+ ATOM 938 CA MET A 120 0.270 63.659 105.645 1.00 83.35 C
939
+ ATOM 939 CB MET A 120 0.788 62.345 106.230 1.00 81.27 C
940
+ ATOM 940 CE MET A 120 1.170 60.644 109.087 1.00 67.76 C
941
+ ATOM 941 CG MET A 120 -0.297 61.482 106.855 1.00 75.31 C
942
+ ATOM 942 N MET A 120 -0.481 63.414 104.417 1.00 83.15 N
943
+ ATOM 943 O MET A 120 1.674 65.528 106.177 1.00 81.64 O
944
+ ATOM 944 SD MET A 120 0.373 59.950 107.613 1.00 75.27 S
945
+ ATOM 945 C ILE A 121 2.755 66.682 103.661 1.00 85.17 C
946
+ ATOM 946 CA ILE A 121 3.251 65.262 103.929 1.00 86.07 C
947
+ ATOM 947 CB ILE A 121 3.984 64.708 102.687 1.00 84.26 C
948
+ ATOM 948 CD1 ILE A 121 5.889 63.531 103.934 1.00 75.29 C
949
+ ATOM 949 CG1 ILE A 121 4.678 63.383 103.024 1.00 78.23 C
950
+ ATOM 950 CG2 ILE A 121 4.991 65.731 102.153 1.00 77.67 C
951
+ ATOM 951 N ILE A 121 2.129 64.412 104.311 1.00 85.79 N
952
+ ATOM 952 O ILE A 121 3.360 67.654 104.119 1.00 83.33 O
953
+ ATOM 953 C ARG A 122 0.720 68.916 103.876 1.00 84.34 C
954
+ ATOM 954 CA ARG A 122 1.088 68.153 102.608 1.00 85.40 C
955
+ ATOM 955 CB ARG A 122 -0.141 68.013 101.706 1.00 82.78 C
956
+ ATOM 956 CD ARG A 122 -1.845 69.139 100.233 1.00 72.04 C
957
+ ATOM 957 CG ARG A 122 -0.549 69.304 101.015 1.00 74.99 C
958
+ ATOM 958 CZ ARG A 122 -2.589 67.035 99.169 1.00 65.77 C
959
+ ATOM 959 N ARG A 122 1.643 66.842 102.926 1.00 85.92 N
960
+ ATOM 960 NE ARG A 122 -1.749 68.063 99.251 1.00 65.18 N
961
+ ATOM 961 NH1 ARG A 122 -3.607 66.923 100.013 1.00 53.83 N
962
+ ATOM 962 NH2 ARG A 122 -2.408 66.111 98.236 1.00 49.65 N
963
+ ATOM 963 O ARG A 122 0.944 70.125 103.967 1.00 81.53 O
964
+ ATOM 964 C GLU A 123 0.963 69.312 106.901 1.00 81.87 C
965
+ ATOM 965 CA GLU A 123 -0.247 68.831 106.105 1.00 82.54 C
966
+ ATOM 966 CB GLU A 123 -1.082 67.863 106.948 1.00 79.58 C
967
+ ATOM 967 CD GLU A 123 -3.314 66.696 107.274 1.00 69.17 C
968
+ ATOM 968 CG GLU A 123 -2.487 67.635 106.411 1.00 71.62 C
969
+ ATOM 969 N GLU A 123 0.161 68.200 104.854 1.00 83.34 N
970
+ ATOM 970 O GLU A 123 0.904 70.350 107.564 1.00 79.44 O
971
+ ATOM 971 OE1 GLU A 123 -2.789 66.185 108.291 1.00 66.97 O
972
+ ATOM 972 OE2 GLU A 123 -4.495 66.466 106.931 1.00 65.12 O
973
+ ATOM 973 C ALA A 124 4.167 69.827 106.826 1.00 84.46 C
974
+ ATOM 974 CA ALA A 124 3.240 68.868 107.568 1.00 84.82 C
975
+ ATOM 975 CB ALA A 124 3.985 67.587 107.932 1.00 83.05 C
976
+ ATOM 976 N ALA A 124 2.057 68.558 106.769 1.00 84.50 N
977
+ ATOM 977 O ALA A 124 4.999 70.498 107.443 1.00 82.56 O
978
+ ATOM 978 C ASP A 125 4.550 72.074 104.607 1.00 82.30 C
979
+ ATOM 979 CA ASP A 125 4.979 70.610 104.650 1.00 84.64 C
980
+ ATOM 980 CB ASP A 125 4.977 70.021 103.238 1.00 80.22 C
981
+ ATOM 981 CG ASP A 125 5.926 70.738 102.294 1.00 74.97 C
982
+ ATOM 982 N ASP A 125 4.111 69.834 105.530 1.00 82.86 N
983
+ ATOM 983 O ASP A 125 3.922 72.515 103.643 1.00 78.24 O
984
+ ATOM 984 OD1 ASP A 125 6.876 71.398 102.770 1.00 75.76 O
985
+ ATOM 985 OD2 ASP A 125 5.722 70.645 101.064 1.00 81.77 O
986
+ ATOM 986 C ILE A 126 4.967 75.124 104.515 1.00 81.39 C
987
+ ATOM 987 CA ILE A 126 4.384 74.314 105.670 1.00 83.14 C
988
+ ATOM 988 CB ILE A 126 4.801 74.933 107.023 1.00 78.04 C
989
+ ATOM 989 CD1 ILE A 126 4.600 74.626 109.560 1.00 64.69 C
990
+ ATOM 990 CG1 ILE A 126 4.113 74.201 108.181 1.00 67.24 C
991
+ ATOM 991 CG2 ILE A 126 4.480 76.430 107.054 1.00 65.57 C
992
+ ATOM 992 N ILE A 126 4.814 72.924 105.565 1.00 81.61 N
993
+ ATOM 993 O ILE A 126 4.287 75.979 103.942 1.00 78.80 O
994
+ ATOM 994 C ASP A 127 6.490 75.161 101.612 1.00 82.77 C
995
+ ATOM 995 CA ASP A 127 6.798 75.742 102.991 1.00 83.61 C
996
+ ATOM 996 CB ASP A 127 8.310 75.846 103.192 1.00 81.21 C
997
+ ATOM 997 CG ASP A 127 9.022 74.513 103.042 1.00 79.70 C
998
+ ATOM 998 N ASP A 127 6.195 74.933 104.046 1.00 83.12 N
999
+ ATOM 999 O ASP A 127 6.939 75.694 100.595 1.00 81.09 O
1000
+ ATOM 1000 OD1 ASP A 127 8.348 73.481 102.832 1.00 80.30 O
1001
+ ATOM 1001 OD2 ASP A 127 10.268 74.493 103.139 1.00 82.47 O
1002
+ ATOM 1002 C GLY A 128 6.468 72.825 99.302 1.00 81.15 C
1003
+ ATOM 1003 CA GLY A 128 5.383 73.484 100.134 1.00 83.77 C
1004
+ ATOM 1004 N GLY A 128 5.872 74.004 101.402 1.00 82.14 N
1005
+ ATOM 1005 O GLY A 128 6.369 72.772 98.075 1.00 77.88 O
1006
+ ATOM 1006 C ASP A 129 8.543 70.391 98.775 1.00 84.09 C
1007
+ ATOM 1007 CA ASP A 129 8.698 71.898 98.961 1.00 86.78 C
1008
+ ATOM 1008 CB ASP A 129 10.063 72.216 99.572 1.00 84.46 C
1009
+ ATOM 1009 CG ASP A 129 10.275 71.560 100.926 1.00 83.70 C
1010
+ ATOM 1010 N ASP A 129 7.626 72.437 99.793 1.00 86.99 N
1011
+ ATOM 1011 O ASP A 129 9.382 69.749 98.138 1.00 80.36 O
1012
+ ATOM 1012 OD1 ASP A 129 9.298 71.053 101.517 1.00 82.92 O
1013
+ ATOM 1013 OD2 ASP A 129 11.429 71.551 101.405 1.00 84.48 O
1014
+ ATOM 1014 C GLY A 130 7.727 67.480 100.053 1.00 84.83 C
1015
+ ATOM 1015 CA GLY A 130 7.075 68.411 99.048 1.00 86.94 C
1016
+ ATOM 1016 N GLY A 130 7.379 69.814 99.286 1.00 85.91 N
1017
+ ATOM 1017 O GLY A 130 7.672 66.259 99.902 1.00 80.80 O
1018
+ ATOM 1018 C GLN A 131 8.953 67.885 103.401 1.00 88.27 C
1019
+ ATOM 1019 CA GLN A 131 9.138 67.224 102.039 1.00 88.98 C
1020
+ ATOM 1020 CB GLN A 131 10.628 67.074 101.725 1.00 86.04 C
1021
+ ATOM 1021 CD GLN A 131 12.401 66.573 99.989 1.00 75.59 C
1022
+ ATOM 1022 CG GLN A 131 10.921 66.767 100.263 1.00 77.95 C
1023
+ ATOM 1023 N GLN A 131 8.468 67.986 100.989 1.00 88.22 N
1024
+ ATOM 1024 NE2 GLN A 131 12.787 66.676 98.722 1.00 72.23 N
1025
+ ATOM 1025 O GLN A 131 8.439 69.001 103.492 1.00 86.42 O
1026
+ ATOM 1026 OE1 GLN A 131 13.189 66.331 100.908 1.00 75.72 O
1027
+ ATOM 1027 C VAL A 132 10.499 67.915 106.457 1.00 87.51 C
1028
+ ATOM 1028 CA VAL A 132 9.124 67.711 105.826 1.00 88.27 C
1029
+ ATOM 1029 CB VAL A 132 8.270 66.768 106.702 1.00 86.05 C
1030
+ ATOM 1030 CG1 VAL A 132 8.138 67.319 108.120 1.00 79.21 C
1031
+ ATOM 1031 CG2 VAL A 132 6.892 66.560 106.076 1.00 78.77 C
1032
+ ATOM 1032 N VAL A 132 9.274 67.194 104.470 1.00 88.23 N
1033
+ ATOM 1033 O VAL A 132 11.285 66.971 106.564 1.00 85.04 O
1034
+ ATOM 1034 C ASN A 133 11.989 69.336 108.978 1.00 87.77 C
1035
+ ATOM 1035 CA ASN A 133 12.140 69.421 107.462 1.00 88.99 C
1036
+ ATOM 1036 CB ASN A 133 12.721 70.779 107.061 1.00 87.08 C
1037
+ ATOM 1037 CG ASN A 133 11.829 71.936 107.463 1.00 82.38 C
1038
+ ATOM 1038 N ASN A 133 10.870 69.187 106.783 1.00 89.15 N
1039
+ ATOM 1039 ND2 ASN A 133 11.786 72.969 106.630 1.00 80.10 N
1040
+ ATOM 1040 O ASN A 133 10.891 69.102 109.484 1.00 84.94 O
1041
+ ATOM 1041 OD1 ASN A 133 11.185 71.904 108.515 1.00 79.18 O
1042
+ ATOM 1042 C TYR A 134 12.112 70.190 111.837 1.00 82.19 C
1043
+ ATOM 1043 CA TYR A 134 13.070 69.202 111.183 1.00 83.12 C
1044
+ ATOM 1044 CB TYR A 134 14.474 69.368 111.770 1.00 81.09 C
1045
+ ATOM 1045 CD1 TYR A 134 14.306 68.071 113.931 1.00 73.62 C
1046
+ ATOM 1046 CD2 TYR A 134 14.765 70.413 114.048 1.00 74.48 C
1047
+ ATOM 1047 CE1 TYR A 134 14.342 67.988 115.319 1.00 75.87 C
1048
+ ATOM 1048 CE2 TYR A 134 14.803 70.341 115.437 1.00 74.90 C
1049
+ ATOM 1049 CG TYR A 134 14.516 69.283 113.277 1.00 77.69 C
1050
+ ATOM 1050 CZ TYR A 134 14.591 69.126 116.062 1.00 73.08 C
1051
+ ATOM 1051 N TYR A 134 13.095 69.379 109.735 1.00 83.31 N
1052
+ ATOM 1052 O TYR A 134 11.337 69.820 112.723 1.00 79.76 O
1053
+ ATOM 1053 OH TYR A 134 14.627 69.050 117.436 1.00 69.78 O
1054
+ ATOM 1054 C GLU A 135 9.782 72.221 111.808 1.00 81.95 C
1055
+ ATOM 1055 CA GLU A 135 11.257 72.543 112.027 1.00 82.69 C
1056
+ ATOM 1056 CB GLU A 135 11.591 73.913 111.430 1.00 78.49 C
1057
+ ATOM 1057 CD GLU A 135 14.123 73.986 111.242 1.00 67.83 C
1058
+ ATOM 1058 CG GLU A 135 12.887 74.512 111.955 1.00 69.76 C
1059
+ ATOM 1059 N GLU A 135 12.113 71.510 111.453 1.00 81.43 N
1060
+ ATOM 1060 O GLU A 135 8.963 72.383 112.716 1.00 80.01 O
1061
+ ATOM 1061 OE1 GLU A 135 13.979 73.284 110.216 1.00 67.22 O
1062
+ ATOM 1062 OE2 GLU A 135 15.245 74.277 111.715 1.00 62.99 O
1063
+ ATOM 1063 C GLU A 136 7.621 70.158 110.986 1.00 80.86 C
1064
+ ATOM 1064 CA GLU A 136 8.059 71.396 110.209 1.00 83.41 C
1065
+ ATOM 1065 CB GLU A 136 7.910 71.153 108.704 1.00 81.41 C
1066
+ ATOM 1066 CD GLU A 136 8.164 72.126 106.371 1.00 78.01 C
1067
+ ATOM 1067 CG GLU A 136 8.053 72.411 107.860 1.00 79.02 C
1068
+ ATOM 1068 N GLU A 136 9.432 71.766 110.535 1.00 82.55 N
1069
+ ATOM 1069 O GLU A 136 6.466 70.059 111.407 1.00 77.97 O
1070
+ ATOM 1070 OE1 GLU A 136 8.701 71.060 105.996 1.00 82.85 O
1071
+ ATOM 1071 OE2 GLU A 136 7.709 72.976 105.573 1.00 85.14 O
1072
+ ATOM 1072 C PHE A 137 8.059 68.342 113.438 1.00 78.46 C
1073
+ ATOM 1073 CA PHE A 137 8.335 68.001 111.978 1.00 80.35 C
1074
+ ATOM 1074 CB PHE A 137 9.538 67.057 111.879 1.00 77.92 C
1075
+ ATOM 1075 CD1 PHE A 137 8.538 64.752 112.011 1.00 70.64 C
1076
+ ATOM 1076 CD2 PHE A 137 9.942 65.488 113.801 1.00 72.33 C
1077
+ ATOM 1077 CE1 PHE A 137 8.348 63.531 112.655 1.00 74.66 C
1078
+ ATOM 1078 CE2 PHE A 137 9.758 64.270 114.450 1.00 73.14 C
1079
+ ATOM 1079 CG PHE A 137 9.335 65.739 112.577 1.00 74.70 C
1080
+ ATOM 1080 CZ PHE A 137 8.960 63.295 113.876 1.00 73.91 C
1081
+ ATOM 1081 N PHE A 137 8.566 69.211 111.199 1.00 80.31 N
1082
+ ATOM 1082 O PHE A 137 7.158 67.770 114.055 1.00 75.19 O
1083
+ ATOM 1083 C VAL A 138 7.271 70.359 115.564 1.00 77.74 C
1084
+ ATOM 1084 CA VAL A 138 8.649 69.724 115.397 1.00 78.51 C
1085
+ ATOM 1085 CB VAL A 138 9.750 70.717 115.832 1.00 76.41 C
1086
+ ATOM 1086 CG1 VAL A 138 9.428 71.317 117.200 1.00 68.28 C
1087
+ ATOM 1087 CG2 VAL A 138 11.113 70.028 115.854 1.00 68.41 C
1088
+ ATOM 1088 N VAL A 138 8.832 69.293 114.015 1.00 78.95 N
1089
+ ATOM 1089 O VAL A 138 6.582 70.111 116.556 1.00 75.49 O
1090
+ ATOM 1090 C GLN A 139 4.413 70.834 114.565 1.00 76.41 C
1091
+ ATOM 1091 CA GLN A 139 5.557 71.842 114.628 1.00 78.02 C
1092
+ ATOM 1092 CB GLN A 139 5.438 72.844 113.478 1.00 74.52 C
1093
+ ATOM 1093 CD GLN A 139 5.985 75.154 112.599 1.00 65.54 C
1094
+ ATOM 1094 CG GLN A 139 6.144 74.167 113.740 1.00 67.69 C
1095
+ ATOM 1095 N GLN A 139 6.851 71.170 114.590 1.00 77.77 N
1096
+ ATOM 1096 NE2 GLN A 139 6.691 76.276 112.683 1.00 56.61 N
1097
+ ATOM 1097 O GLN A 139 3.374 71.026 115.201 1.00 73.60 O
1098
+ ATOM 1098 OE1 GLN A 139 5.234 74.909 111.650 1.00 64.15 O
1099
+ ATOM 1099 C MET A 140 3.472 67.936 114.922 1.00 75.93 C
1100
+ ATOM 1100 CA MET A 140 3.578 68.754 113.640 1.00 77.82 C
1101
+ ATOM 1101 CB MET A 140 3.896 67.835 112.459 1.00 75.27 C
1102
+ ATOM 1102 CE MET A 140 4.828 64.872 111.761 1.00 65.26 C
1103
+ ATOM 1103 CG MET A 140 2.830 66.783 112.196 1.00 70.12 C
1104
+ ATOM 1104 N MET A 140 4.594 69.794 113.769 1.00 77.88 N
1105
+ ATOM 1105 O MET A 140 2.384 67.487 115.290 1.00 72.75 O
1106
+ ATOM 1106 SD MET A 140 3.355 65.548 110.945 1.00 66.83 S
1107
+ ATOM 1107 C MET A 141 4.150 67.639 118.131 1.00 69.73 C
1108
+ ATOM 1108 CA MET A 141 4.545 66.820 116.907 1.00 71.91 C
1109
+ ATOM 1109 CB MET A 141 5.943 66.230 117.102 1.00 69.49 C
1110
+ ATOM 1110 CE MET A 141 5.951 62.982 117.727 1.00 57.70 C
1111
+ ATOM 1111 CG MET A 141 6.323 65.195 116.056 1.00 65.01 C
1112
+ ATOM 1112 N MET A 141 4.494 67.634 115.697 1.00 73.03 N
1113
+ ATOM 1113 O MET A 141 3.813 67.079 119.176 1.00 65.91 O
1114
+ ATOM 1114 SD MET A 141 5.310 63.669 116.175 1.00 62.89 S
1115
+ ATOM 1115 C THR A 142 2.140 70.362 118.733 1.00 65.32 C
1116
+ ATOM 1116 CA THR A 142 3.582 69.942 119.002 1.00 68.51 C
1117
+ ATOM 1117 CB THR A 142 4.466 71.196 119.146 1.00 64.23 C
1118
+ ATOM 1118 CG2 THR A 142 5.897 70.820 119.516 1.00 55.26 C
1119
+ ATOM 1119 N THR A 142 4.073 69.069 117.942 1.00 67.78 N
1120
+ ATOM 1120 O THR A 142 1.339 70.479 119.663 1.00 62.39 O
1121
+ ATOM 1121 OG1 THR A 142 4.477 71.911 117.904 1.00 57.38 O
1122
+ TER 1122 THR A 142
1123
+ END
6eeb/6eeb_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6eeb/6eeb_rdkit_ligand.pdb ADDED
@@ -0,0 +1,75 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6eeb_ligand
2
+ HETATM 1 C1 UNL 1 5.148 1.786 -0.293 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 4.426 0.996 -1.194 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 3.271 0.369 -0.827 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 1.422 -0.783 -0.662 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 1.616 -0.219 0.576 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 0.647 -0.456 1.697 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -0.707 -0.351 1.073 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 -0.951 -1.269 -0.078 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 -2.106 -0.733 -0.930 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 -2.908 0.117 -0.030 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 -3.057 -0.452 1.364 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 -4.185 0.606 -0.520 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 -4.355 1.814 0.006 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 -3.142 2.120 0.870 1.00 0.00 C
16
+ HETATM 15 C15 UNL 1 -0.928 1.124 0.700 1.00 0.00 C
17
+ HETATM 16 C16 UNL 1 0.241 -1.638 -0.886 1.00 0.00 C
18
+ HETATM 17 C17 UNL 1 0.682 -3.059 -0.498 1.00 0.00 C
19
+ HETATM 18 C18 UNL 1 -0.039 -1.704 -2.372 1.00 0.00 C
20
+ HETATM 19 C19 UNL 1 2.802 0.515 0.458 1.00 0.00 C
21
+ HETATM 20 C20 UNL 1 3.495 1.284 1.352 1.00 0.00 C
22
+ HETATM 21 C21 UNL 1 4.667 1.926 0.995 1.00 0.00 C
23
+ HETATM 22 N1 UNL 1 2.417 -0.422 -1.484 1.00 0.00 N
24
+ HETATM 23 N2 UNL 1 -1.799 -0.602 2.023 1.00 0.00 N
25
+ HETATM 24 N3 UNL 1 -2.167 1.383 0.105 1.00 0.00 N1+
26
+ HETATM 25 O1 UNL 1 -4.160 -0.747 1.856 1.00 0.00 O
27
+ HETATM 26 CL1 UNL 1 6.617 2.589 -0.745 1.00 0.00 CL
28
+ HETATM 27 CL2 UNL 1 5.530 2.905 2.169 1.00 0.00 CL
29
+ HETATM 28 H1 UNL 1 4.860 0.928 -2.193 1.00 0.00 H
30
+ HETATM 29 H2 UNL 1 0.832 -1.422 2.199 1.00 0.00 H
31
+ HETATM 30 H3 UNL 1 0.767 0.395 2.393 1.00 0.00 H
32
+ HETATM 31 H4 UNL 1 -1.376 -2.227 0.333 1.00 0.00 H
33
+ HETATM 32 H5 UNL 1 -2.684 -1.569 -1.381 1.00 0.00 H
34
+ HETATM 33 H6 UNL 1 -1.658 -0.076 -1.727 1.00 0.00 H
35
+ HETATM 34 H7 UNL 1 -4.874 0.109 -1.179 1.00 0.00 H
36
+ HETATM 35 H8 UNL 1 -5.169 2.524 -0.099 1.00 0.00 H
37
+ HETATM 36 H9 UNL 1 -2.955 3.190 0.938 1.00 0.00 H
38
+ HETATM 37 H10 UNL 1 -3.354 1.622 1.838 1.00 0.00 H
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+ HETATM 38 H11 UNL 1 -0.109 1.449 0.001 1.00 0.00 H
40
+ HETATM 39 H12 UNL 1 -0.768 1.689 1.631 1.00 0.00 H
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+ HETATM 40 H13 UNL 1 1.528 -3.020 0.219 1.00 0.00 H
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+ HETATM 41 H14 UNL 1 0.986 -3.648 -1.360 1.00 0.00 H
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+ HETATM 42 H15 UNL 1 -0.137 -3.595 0.021 1.00 0.00 H
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+ HETATM 47 H20 UNL 1 2.519 -0.714 -2.503 1.00 0.00 H
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50
+ HETATM 49 H22 UNL 1 -2.123 1.828 -0.847 1.00 0.00 H
51
+ CONECT 1 2 2 21 26
52
+ CONECT 2 3 28
53
+ CONECT 3 19 19 22
54
+ CONECT 4 5 5 16 22
55
+ CONECT 5 6 19
56
+ CONECT 6 7 29 30
57
+ CONECT 7 8 15 23
58
+ CONECT 8 9 16 31
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+ CONECT 9 10 32 33
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+ CONECT 10 11 12 24
61
+ CONECT 11 23 25 25
62
+ CONECT 12 13 13 34
63
+ CONECT 13 14 35
64
+ CONECT 14 24 36 37
65
+ CONECT 15 24 38 39
66
+ CONECT 16 17 18
67
+ CONECT 17 40 41 42
68
+ CONECT 18 43 44 45
69
+ CONECT 19 20
70
+ CONECT 20 21 21 46
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+ CONECT 21 27
72
+ CONECT 22 47
73
+ CONECT 23 48
74
+ CONECT 24 49
75
+ END
6efk/6efk_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Aug 2 16:13:16 2021
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+ ###
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+
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6efk/6efk_ligand.sdf ADDED
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+ $$$$
6efk/6efk_protein_alphafold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1071 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-08-19
2
+ ATOM 1 N SER A 1 9.551 15.361 56.315 1.00 0.00 N
3
+ ATOM 2 CA SER A 1 9.232 14.397 55.269 1.00 0.00 C
4
+ ATOM 3 C SER A 1 7.996 14.821 54.483 1.00 0.00 C
5
+ ATOM 4 CB SER A 1 9.012 13.007 55.870 1.00 0.00 C
6
+ ATOM 5 O SER A 1 7.048 15.364 55.053 1.00 0.00 O
7
+ ATOM 6 OG SER A 1 10.223 12.489 56.394 1.00 0.00 O
8
+ ATOM 7 N PRO A 2 8.081 14.755 53.174 1.00 0.00 N
9
+ ATOM 8 CA PRO A 2 6.926 15.220 52.403 1.00 0.00 C
10
+ ATOM 9 C PRO A 2 5.630 14.515 52.798 1.00 0.00 C
11
+ ATOM 10 CB PRO A 2 7.310 14.889 50.958 1.00 0.00 C
12
+ ATOM 11 O PRO A 2 5.655 13.349 53.200 1.00 0.00 O
13
+ ATOM 12 CG PRO A 2 8.366 13.838 51.075 1.00 0.00 C
14
+ ATOM 13 CD PRO A 2 9.096 14.038 52.372 1.00 0.00 C
15
+ ATOM 14 N SER A 3 4.579 15.259 52.813 1.00 0.00 N
16
+ ATOM 15 CA SER A 3 3.261 14.681 53.050 1.00 0.00 C
17
+ ATOM 16 C SER A 3 2.863 13.731 51.924 1.00 0.00 C
18
+ ATOM 17 CB SER A 3 2.210 15.782 53.192 1.00 0.00 C
19
+ ATOM 18 O SER A 3 3.510 13.698 50.875 1.00 0.00 O
20
+ ATOM 19 OG SER A 3 1.994 16.435 51.954 1.00 0.00 O
21
+ ATOM 20 N ALA A 4 1.782 12.927 52.199 1.00 0.00 N
22
+ ATOM 21 CA ALA A 4 1.268 12.031 51.167 1.00 0.00 C
23
+ ATOM 22 C ALA A 4 0.823 12.812 49.933 1.00 0.00 C
24
+ ATOM 23 CB ALA A 4 0.110 11.200 51.713 1.00 0.00 C
25
+ ATOM 24 O ALA A 4 1.065 12.386 48.802 1.00 0.00 O
26
+ ATOM 25 N GLN A 5 0.224 13.903 50.167 1.00 0.00 N
27
+ ATOM 26 CA GLN A 5 -0.261 14.736 49.072 1.00 0.00 C
28
+ ATOM 27 C GLN A 5 0.897 15.309 48.260 1.00 0.00 C
29
+ ATOM 28 CB GLN A 5 -1.139 15.868 49.605 1.00 0.00 C
30
+ ATOM 29 O GLN A 5 0.829 15.374 47.032 1.00 0.00 O
31
+ ATOM 30 CG GLN A 5 -1.827 16.680 48.516 1.00 0.00 C
32
+ ATOM 31 CD GLN A 5 -2.745 15.838 47.650 1.00 0.00 C
33
+ ATOM 32 NE2 GLN A 5 -3.061 16.338 46.460 1.00 0.00 N
34
+ ATOM 33 OE1 GLN A 5 -3.167 14.748 48.046 1.00 0.00 O
35
+ ATOM 34 N GLU A 6 1.922 15.715 48.887 1.00 0.00 N
36
+ ATOM 35 CA GLU A 6 3.101 16.227 48.195 1.00 0.00 C
37
+ ATOM 36 C GLU A 6 3.772 15.136 47.365 1.00 0.00 C
38
+ ATOM 37 CB GLU A 6 4.099 16.816 49.196 1.00 0.00 C
39
+ ATOM 38 O GLU A 6 4.233 15.393 46.252 1.00 0.00 O
40
+ ATOM 39 CG GLU A 6 3.705 18.189 49.722 1.00 0.00 C
41
+ ATOM 40 CD GLU A 6 4.526 18.628 50.923 1.00 0.00 C
42
+ ATOM 41 OE1 GLU A 6 4.805 19.842 51.057 1.00 0.00 O
43
+ ATOM 42 OE2 GLU A 6 4.896 17.752 51.737 1.00 0.00 O
44
+ ATOM 43 N LEU A 7 3.800 14.023 47.910 1.00 0.00 N
45
+ ATOM 44 CA LEU A 7 4.363 12.880 47.201 1.00 0.00 C
46
+ ATOM 45 C LEU A 7 3.542 12.554 45.958 1.00 0.00 C
47
+ ATOM 46 CB LEU A 7 4.428 11.657 48.119 1.00 0.00 C
48
+ ATOM 47 O LEU A 7 4.102 12.279 44.894 1.00 0.00 O
49
+ ATOM 48 CG LEU A 7 5.475 11.701 49.233 1.00 0.00 C
50
+ ATOM 49 CD1 LEU A 7 5.177 10.634 50.283 1.00 0.00 C
51
+ ATOM 50 CD2 LEU A 7 6.876 11.518 48.660 1.00 0.00 C
52
+ ATOM 51 N LYS A 8 2.265 12.628 46.119 1.00 0.00 N
53
+ ATOM 52 CA LYS A 8 1.388 12.427 44.969 1.00 0.00 C
54
+ ATOM 53 C LYS A 8 1.664 13.461 43.880 1.00 0.00 C
55
+ ATOM 54 CB LYS A 8 -0.080 12.494 45.395 1.00 0.00 C
56
+ ATOM 55 O LYS A 8 1.759 13.117 42.700 1.00 0.00 O
57
+ ATOM 56 CG LYS A 8 -1.065 12.287 44.254 1.00 0.00 C
58
+ ATOM 57 CD LYS A 8 -2.379 13.014 44.513 1.00 0.00 C
59
+ ATOM 58 CE LYS A 8 -2.340 14.444 43.993 1.00 0.00 C
60
+ ATOM 59 NZ LYS A 8 -3.705 15.048 43.931 1.00 0.00 N
61
+ ATOM 60 N GLU A 9 1.862 14.649 44.249 1.00 0.00 N
62
+ ATOM 61 CA GLU A 9 2.113 15.718 43.286 1.00 0.00 C
63
+ ATOM 62 C GLU A 9 3.469 15.545 42.610 1.00 0.00 C
64
+ ATOM 63 CB GLU A 9 2.036 17.086 43.968 1.00 0.00 C
65
+ ATOM 64 O GLU A 9 3.611 15.807 41.414 1.00 0.00 O
66
+ ATOM 65 CG GLU A 9 0.619 17.525 44.308 1.00 0.00 C
67
+ ATOM 66 CD GLU A 9 0.526 18.986 44.720 1.00 0.00 C
68
+ ATOM 67 OE1 GLU A 9 -0.603 19.488 44.923 1.00 0.00 O
69
+ ATOM 68 OE2 GLU A 9 1.590 19.632 44.842 1.00 0.00 O
70
+ ATOM 69 N GLN A 10 4.366 15.155 43.387 1.00 0.00 N
71
+ ATOM 70 CA GLN A 10 5.659 14.822 42.799 1.00 0.00 C
72
+ ATOM 71 C GLN A 10 5.527 13.693 41.781 1.00 0.00 C
73
+ ATOM 72 CB GLN A 10 6.661 14.434 43.888 1.00 0.00 C
74
+ ATOM 73 O GLN A 10 6.095 13.764 40.690 1.00 0.00 O
75
+ ATOM 74 CG GLN A 10 8.116 14.615 43.478 1.00 0.00 C
76
+ ATOM 75 CD GLN A 10 9.086 14.274 44.593 1.00 0.00 C
77
+ ATOM 76 NE2 GLN A 10 10.379 14.416 44.318 1.00 0.00 N
78
+ ATOM 77 OE1 GLN A 10 8.678 13.888 45.693 1.00 0.00 O
79
+ ATOM 78 N GLY A 11 4.826 12.656 42.131 1.00 0.00 N
80
+ ATOM 79 CA GLY A 11 4.553 11.575 41.196 1.00 0.00 C
81
+ ATOM 80 C GLY A 11 3.885 12.046 39.919 1.00 0.00 C
82
+ ATOM 81 O GLY A 11 4.268 11.633 38.823 1.00 0.00 O
83
+ ATOM 82 N ASN A 12 2.951 12.948 40.056 1.00 0.00 N
84
+ ATOM 83 CA ASN A 12 2.264 13.506 38.896 1.00 0.00 C
85
+ ATOM 84 C ASN A 12 3.236 14.215 37.956 1.00 0.00 C
86
+ ATOM 85 CB ASN A 12 1.158 14.466 39.337 1.00 0.00 C
87
+ ATOM 86 O ASN A 12 3.142 14.073 36.736 1.00 0.00 O
88
+ ATOM 87 CG ASN A 12 -0.015 13.750 39.979 1.00 0.00 C
89
+ ATOM 88 ND2 ASN A 12 -0.924 14.515 40.571 1.00 0.00 N
90
+ ATOM 89 OD1 ASN A 12 -0.101 12.520 39.943 1.00 0.00 O
91
+ ATOM 90 N ARG A 13 4.114 14.944 38.493 1.00 0.00 N
92
+ ATOM 91 CA ARG A 13 5.100 15.658 37.690 1.00 0.00 C
93
+ ATOM 92 C ARG A 13 6.005 14.685 36.941 1.00 0.00 C
94
+ ATOM 93 CB ARG A 13 5.943 16.583 38.570 1.00 0.00 C
95
+ ATOM 94 O ARG A 13 6.272 14.869 35.752 1.00 0.00 O
96
+ ATOM 95 CG ARG A 13 5.263 17.901 38.908 1.00 0.00 C
97
+ ATOM 96 CD ARG A 13 6.192 18.838 39.665 1.00 0.00 C
98
+ ATOM 97 NE ARG A 13 6.265 18.497 41.083 1.00 0.00 N
99
+ ATOM 98 NH1 ARG A 13 6.627 20.663 41.799 1.00 0.00 N
100
+ ATOM 99 NH2 ARG A 13 6.518 18.950 43.320 1.00 0.00 N
101
+ ATOM 100 CZ ARG A 13 6.470 19.371 42.064 1.00 0.00 C
102
+ ATOM 101 N LEU A 14 6.433 13.715 37.597 1.00 0.00 N
103
+ ATOM 102 CA LEU A 14 7.293 12.698 37.002 1.00 0.00 C
104
+ ATOM 103 C LEU A 14 6.555 11.935 35.907 1.00 0.00 C
105
+ ATOM 104 CB LEU A 14 7.791 11.723 38.072 1.00 0.00 C
106
+ ATOM 105 O LEU A 14 7.129 11.639 34.856 1.00 0.00 O
107
+ ATOM 106 CG LEU A 14 8.820 12.271 39.063 1.00 0.00 C
108
+ ATOM 107 CD1 LEU A 14 8.919 11.362 40.282 1.00 0.00 C
109
+ ATOM 108 CD2 LEU A 14 10.180 12.424 38.391 1.00 0.00 C
110
+ ATOM 109 N PHE A 15 5.295 11.701 36.136 1.00 0.00 N
111
+ ATOM 110 CA PHE A 15 4.480 10.999 35.152 1.00 0.00 C
112
+ ATOM 111 C PHE A 15 4.368 11.808 33.865 1.00 0.00 C
113
+ ATOM 112 CB PHE A 15 3.084 10.713 35.715 1.00 0.00 C
114
+ ATOM 113 O PHE A 15 4.517 11.263 32.768 1.00 0.00 O
115
+ ATOM 114 CG PHE A 15 2.211 9.904 34.793 1.00 0.00 C
116
+ ATOM 115 CD1 PHE A 15 1.373 10.531 33.879 1.00 0.00 C
117
+ ATOM 116 CD2 PHE A 15 2.230 8.516 34.840 1.00 0.00 C
118
+ ATOM 117 CE1 PHE A 15 0.564 9.786 33.025 1.00 0.00 C
119
+ ATOM 118 CE2 PHE A 15 1.425 7.765 33.988 1.00 0.00 C
120
+ ATOM 119 CZ PHE A 15 0.592 8.401 33.082 1.00 0.00 C
121
+ ATOM 120 N VAL A 16 4.138 13.043 33.972 1.00 0.00 N
122
+ ATOM 121 CA VAL A 16 4.046 13.932 32.819 1.00 0.00 C
123
+ ATOM 122 C VAL A 16 5.365 13.923 32.052 1.00 0.00 C
124
+ ATOM 123 CB VAL A 16 3.687 15.375 33.243 1.00 0.00 C
125
+ ATOM 124 O VAL A 16 5.374 13.964 30.819 1.00 0.00 O
126
+ ATOM 125 CG1 VAL A 16 3.857 16.341 32.072 1.00 0.00 C
127
+ ATOM 126 CG2 VAL A 16 2.259 15.432 33.783 1.00 0.00 C
128
+ ATOM 127 N GLY A 17 6.393 13.836 32.785 1.00 0.00 N
129
+ ATOM 128 CA GLY A 17 7.719 13.755 32.195 1.00 0.00 C
130
+ ATOM 129 C GLY A 17 8.050 12.375 31.658 1.00 0.00 C
131
+ ATOM 130 O GLY A 17 9.186 12.117 31.255 1.00 0.00 O
132
+ ATOM 131 N ARG A 18 7.169 11.439 31.816 1.00 0.00 N
133
+ ATOM 132 CA ARG A 18 7.254 10.073 31.307 1.00 0.00 C
134
+ ATOM 133 C ARG A 18 8.276 9.259 32.094 1.00 0.00 C
135
+ ATOM 134 CB ARG A 18 7.618 10.075 29.821 1.00 0.00 C
136
+ ATOM 135 O ARG A 18 8.780 8.246 31.605 1.00 0.00 O
137
+ ATOM 136 CG ARG A 18 6.655 10.867 28.952 1.00 0.00 C
138
+ ATOM 137 CD ARG A 18 6.956 10.691 27.470 1.00 0.00 C
139
+ ATOM 138 NE ARG A 18 6.025 11.447 26.637 1.00 0.00 N
140
+ ATOM 139 NH1 ARG A 18 6.437 10.233 24.714 1.00 0.00 N
141
+ ATOM 140 NH2 ARG A 18 4.931 11.961 24.684 1.00 0.00 N
142
+ ATOM 141 CZ ARG A 18 5.800 11.212 25.347 1.00 0.00 C
143
+ ATOM 142 N LYS A 19 8.627 9.675 33.209 1.00 0.00 N
144
+ ATOM 143 CA LYS A 19 9.467 8.936 34.145 1.00 0.00 C
145
+ ATOM 144 C LYS A 19 8.630 7.998 35.012 1.00 0.00 C
146
+ ATOM 145 CB LYS A 19 10.260 9.898 35.031 1.00 0.00 C
147
+ ATOM 146 O LYS A 19 8.517 8.200 36.223 1.00 0.00 O
148
+ ATOM 147 CG LYS A 19 11.253 10.763 34.269 1.00 0.00 C
149
+ ATOM 148 CD LYS A 19 12.055 11.655 35.209 1.00 0.00 C
150
+ ATOM 149 CE LYS A 19 13.048 12.521 34.448 1.00 0.00 C
151
+ ATOM 150 NZ LYS A 19 13.852 13.381 35.368 1.00 0.00 N
152
+ ATOM 151 N TYR A 20 8.150 6.950 34.508 1.00 0.00 N
153
+ ATOM 152 CA TYR A 20 7.102 6.121 35.092 1.00 0.00 C
154
+ ATOM 153 C TYR A 20 7.619 5.367 36.312 1.00 0.00 C
155
+ ATOM 154 CB TYR A 20 6.559 5.131 34.057 1.00 0.00 C
156
+ ATOM 155 O TYR A 20 6.929 5.274 37.330 1.00 0.00 O
157
+ ATOM 156 CG TYR A 20 5.977 5.793 32.832 1.00 0.00 C
158
+ ATOM 157 CD1 TYR A 20 5.027 6.806 32.948 1.00 0.00 C
159
+ ATOM 158 CD2 TYR A 20 6.375 5.406 31.557 1.00 0.00 C
160
+ ATOM 159 CE1 TYR A 20 4.487 7.417 31.821 1.00 0.00 C
161
+ ATOM 160 CE2 TYR A 20 5.841 6.010 30.423 1.00 0.00 C
162
+ ATOM 161 OH TYR A 20 4.368 7.615 29.446 1.00 0.00 O
163
+ ATOM 162 CZ TYR A 20 4.900 7.013 30.565 1.00 0.00 C
164
+ ATOM 163 N PRO A 21 8.874 4.854 36.268 1.00 0.00 N
165
+ ATOM 164 CA PRO A 21 9.347 4.160 37.468 1.00 0.00 C
166
+ ATOM 165 C PRO A 21 9.456 5.082 38.679 1.00 0.00 C
167
+ ATOM 166 CB PRO A 21 10.725 3.638 37.053 1.00 0.00 C
168
+ ATOM 167 O PRO A 21 9.077 4.697 39.789 1.00 0.00 O
169
+ ATOM 168 CG PRO A 21 10.652 3.505 35.566 1.00 0.00 C
170
+ ATOM 169 CD PRO A 21 9.816 4.631 35.027 1.00 0.00 C
171
+ ATOM 170 N GLU A 22 9.920 6.216 38.406 1.00 0.00 N
172
+ ATOM 171 CA GLU A 22 10.070 7.177 39.495 1.00 0.00 C
173
+ ATOM 172 C GLU A 22 8.712 7.663 39.993 1.00 0.00 C
174
+ ATOM 173 CB GLU A 22 10.924 8.366 39.048 1.00 0.00 C
175
+ ATOM 174 O GLU A 22 8.517 7.849 41.196 1.00 0.00 O
176
+ ATOM 175 CG GLU A 22 12.378 8.010 38.772 1.00 0.00 C
177
+ ATOM 176 CD GLU A 22 12.638 7.631 37.323 1.00 0.00 C
178
+ ATOM 177 OE1 GLU A 22 13.784 7.798 36.847 1.00 0.00 O
179
+ ATOM 178 OE2 GLU A 22 11.688 7.163 36.657 1.00 0.00 O
180
+ ATOM 179 N ALA A 23 7.833 7.875 39.075 1.00 0.00 N
181
+ ATOM 180 CA ALA A 23 6.474 8.258 39.454 1.00 0.00 C
182
+ ATOM 181 C ALA A 23 5.828 7.188 40.329 1.00 0.00 C
183
+ ATOM 182 CB ALA A 23 5.626 8.509 38.210 1.00 0.00 C
184
+ ATOM 183 O ALA A 23 5.257 7.497 41.378 1.00 0.00 O
185
+ ATOM 184 N ALA A 24 5.978 5.955 39.916 1.00 0.00 N
186
+ ATOM 185 CA ALA A 24 5.421 4.843 40.681 1.00 0.00 C
187
+ ATOM 186 C ALA A 24 5.993 4.807 42.095 1.00 0.00 C
188
+ ATOM 187 CB ALA A 24 5.691 3.520 39.969 1.00 0.00 C
189
+ ATOM 188 O ALA A 24 5.272 4.534 43.057 1.00 0.00 O
190
+ ATOM 189 N ALA A 25 7.249 5.075 42.193 1.00 0.00 N
191
+ ATOM 190 CA ALA A 25 7.893 5.095 43.503 1.00 0.00 C
192
+ ATOM 191 C ALA A 25 7.308 6.194 44.385 1.00 0.00 C
193
+ ATOM 192 CB ALA A 25 9.402 5.283 43.353 1.00 0.00 C
194
+ ATOM 193 O ALA A 25 7.100 5.991 45.584 1.00 0.00 O
195
+ ATOM 194 N CYS A 26 7.068 7.350 43.812 1.00 0.00 N
196
+ ATOM 195 CA CYS A 26 6.467 8.450 44.558 1.00 0.00 C
197
+ ATOM 196 C CYS A 26 5.076 8.078 45.053 1.00 0.00 C
198
+ ATOM 197 CB CYS A 26 6.390 9.707 43.691 1.00 0.00 C
199
+ ATOM 198 O CYS A 26 4.748 8.295 46.221 1.00 0.00 O
200
+ ATOM 199 SG CYS A 26 7.978 10.541 43.477 1.00 0.00 S
201
+ ATOM 200 N TYR A 27 4.276 7.501 44.232 1.00 0.00 N
202
+ ATOM 201 CA TYR A 27 2.949 7.063 44.650 1.00 0.00 C
203
+ ATOM 202 C TYR A 27 3.044 5.981 45.720 1.00 0.00 C
204
+ ATOM 203 CB TYR A 27 2.150 6.544 43.451 1.00 0.00 C
205
+ ATOM 204 O TYR A 27 2.234 5.945 46.650 1.00 0.00 O
206
+ ATOM 205 CG TYR A 27 1.954 7.570 42.362 1.00 0.00 C
207
+ ATOM 206 CD1 TYR A 27 1.518 8.858 42.662 1.00 0.00 C
208
+ ATOM 207 CD2 TYR A 27 2.203 7.254 41.031 1.00 0.00 C
209
+ ATOM 208 CE1 TYR A 27 1.333 9.806 41.662 1.00 0.00 C
210
+ ATOM 209 CE2 TYR A 27 2.022 8.194 40.022 1.00 0.00 C
211
+ ATOM 210 OH TYR A 27 1.407 10.401 39.352 1.00 0.00 O
212
+ ATOM 211 CZ TYR A 27 1.588 9.466 40.347 1.00 0.00 C
213
+ ATOM 212 N GLY A 28 4.047 5.121 45.518 1.00 0.00 N
214
+ ATOM 213 CA GLY A 28 4.272 4.119 46.547 1.00 0.00 C
215
+ ATOM 214 C GLY A 28 4.538 4.718 47.915 1.00 0.00 C
216
+ ATOM 215 O GLY A 28 4.007 4.242 48.920 1.00 0.00 O
217
+ ATOM 216 N ARG A 29 5.318 5.731 47.934 1.00 0.00 N
218
+ ATOM 217 CA ARG A 29 5.593 6.422 49.189 1.00 0.00 C
219
+ ATOM 218 C ARG A 29 4.342 7.116 49.718 1.00 0.00 C
220
+ ATOM 219 CB ARG A 29 6.719 7.442 49.006 1.00 0.00 C
221
+ ATOM 220 O ARG A 29 4.114 7.160 50.928 1.00 0.00 O
222
+ ATOM 221 CG ARG A 29 8.082 6.816 48.756 1.00 0.00 C
223
+ ATOM 222 CD ARG A 29 9.134 7.866 48.430 1.00 0.00 C
224
+ ATOM 223 NE ARG A 29 9.085 8.987 49.365 1.00 0.00 N
225
+ ATOM 224 NH1 ARG A 29 10.512 10.334 48.147 1.00 0.00 N
226
+ ATOM 225 NH2 ARG A 29 9.625 11.087 50.123 1.00 0.00 N
227
+ ATOM 226 CZ ARG A 29 9.740 10.133 49.210 1.00 0.00 C
228
+ ATOM 227 N ALA A 30 3.549 7.686 48.888 1.00 0.00 N
229
+ ATOM 228 CA ALA A 30 2.280 8.285 49.292 1.00 0.00 C
230
+ ATOM 229 C ALA A 30 1.364 7.249 49.935 1.00 0.00 C
231
+ ATOM 230 CB ALA A 30 1.590 8.929 48.092 1.00 0.00 C
232
+ ATOM 231 O ALA A 30 0.749 7.512 50.972 1.00 0.00 O
233
+ ATOM 232 N ILE A 31 1.341 6.092 49.417 1.00 0.00 N
234
+ ATOM 233 CA ILE A 31 0.520 4.991 49.911 1.00 0.00 C
235
+ ATOM 234 C ILE A 31 1.003 4.566 51.296 1.00 0.00 C
236
+ ATOM 235 CB ILE A 31 0.547 3.787 48.943 1.00 0.00 C
237
+ ATOM 236 O ILE A 31 0.196 4.341 52.200 1.00 0.00 O
238
+ ATOM 237 CG1 ILE A 31 -0.237 4.111 47.665 1.00 0.00 C
239
+ ATOM 238 CG2 ILE A 31 -0.008 2.533 49.623 1.00 0.00 C
240
+ ATOM 239 CD1 ILE A 31 0.042 3.161 46.509 1.00 0.00 C
241
+ ATOM 240 N THR A 32 2.246 4.460 51.419 1.00 0.00 N
242
+ ATOM 241 CA THR A 32 2.810 4.091 52.713 1.00 0.00 C
243
+ ATOM 242 C THR A 32 2.391 5.088 53.789 1.00 0.00 C
244
+ ATOM 243 CB THR A 32 4.345 4.012 52.651 1.00 0.00 C
245
+ ATOM 244 O THR A 32 2.114 4.702 54.927 1.00 0.00 O
246
+ ATOM 245 CG2 THR A 32 4.929 3.583 53.994 1.00 0.00 C
247
+ ATOM 246 OG1 THR A 32 4.730 3.061 51.650 1.00 0.00 O
248
+ ATOM 247 N ARG A 33 2.302 6.306 53.390 1.00 0.00 N
249
+ ATOM 248 CA ARG A 33 1.946 7.366 54.327 1.00 0.00 C
250
+ ATOM 249 C ARG A 33 0.447 7.372 54.604 1.00 0.00 C
251
+ ATOM 250 CB ARG A 33 2.385 8.730 53.789 1.00 0.00 C
252
+ ATOM 251 O ARG A 33 0.019 7.650 55.725 1.00 0.00 O
253
+ ATOM 252 CG ARG A 33 3.668 9.255 54.413 1.00 0.00 C
254
+ ATOM 253 CD ARG A 33 4.089 10.585 53.803 1.00 0.00 C
255
+ ATOM 254 NE ARG A 33 5.315 11.093 54.412 1.00 0.00 N
256
+ ATOM 255 NH1 ARG A 33 5.566 12.850 52.932 1.00 0.00 N
257
+ ATOM 256 NH2 ARG A 33 7.093 12.533 54.611 1.00 0.00 N
258
+ ATOM 257 CZ ARG A 33 5.989 12.157 53.984 1.00 0.00 C
259
+ ATOM 258 N ASN A 34 -0.305 7.179 53.639 1.00 0.00 N
260
+ ATOM 259 CA ASN A 34 -1.757 7.121 53.765 1.00 0.00 C
261
+ ATOM 260 C ASN A 34 -2.362 6.098 52.807 1.00 0.00 C
262
+ ATOM 261 CB ASN A 34 -2.371 8.502 53.525 1.00 0.00 C
263
+ ATOM 262 O ASN A 34 -2.740 6.440 51.685 1.00 0.00 O
264
+ ATOM 263 CG ASN A 34 -3.853 8.546 53.848 1.00 0.00 C
265
+ ATOM 264 ND2 ASN A 34 -4.443 9.732 53.760 1.00 0.00 N
266
+ ATOM 265 OD1 ASN A 34 -4.460 7.523 54.175 1.00 0.00 O
267
+ ATOM 266 N PRO A 35 -2.561 4.919 53.306 1.00 0.00 N
268
+ ATOM 267 CA PRO A 35 -3.012 3.834 52.431 1.00 0.00 C
269
+ ATOM 268 C PRO A 35 -4.517 3.870 52.175 1.00 0.00 C
270
+ ATOM 269 CB PRO A 35 -2.619 2.572 53.201 1.00 0.00 C
271
+ ATOM 270 O PRO A 35 -5.048 3.008 51.470 1.00 0.00 O
272
+ ATOM 271 CG PRO A 35 -2.676 2.971 54.641 1.00 0.00 C
273
+ ATOM 272 CD PRO A 35 -2.265 4.411 54.754 1.00 0.00 C
274
+ ATOM 273 N LEU A 36 -5.258 4.866 52.662 1.00 0.00 N
275
+ ATOM 274 CA LEU A 36 -6.715 4.848 52.605 1.00 0.00 C
276
+ ATOM 275 C LEU A 36 -7.225 5.730 51.469 1.00 0.00 C
277
+ ATOM 276 CB LEU A 36 -7.310 5.314 53.935 1.00 0.00 C
278
+ ATOM 277 O LEU A 36 -8.428 5.985 51.368 1.00 0.00 O
279
+ ATOM 278 CG LEU A 36 -6.988 4.456 55.160 1.00 0.00 C
280
+ ATOM 279 CD1 LEU A 36 -7.658 5.032 56.403 1.00 0.00 C
281
+ ATOM 280 CD2 LEU A 36 -7.425 3.013 54.931 1.00 0.00 C
282
+ ATOM 281 N VAL A 37 -6.354 6.201 50.642 1.00 0.00 N
283
+ ATOM 282 CA VAL A 37 -6.736 7.084 49.545 1.00 0.00 C
284
+ ATOM 283 C VAL A 37 -6.671 6.324 48.223 1.00 0.00 C
285
+ ATOM 284 CB VAL A 37 -5.835 8.337 49.485 1.00 0.00 C
286
+ ATOM 285 O VAL A 37 -5.584 5.996 47.741 1.00 0.00 O
287
+ ATOM 286 CG1 VAL A 37 -6.221 9.223 48.303 1.00 0.00 C
288
+ ATOM 287 CG2 VAL A 37 -5.923 9.120 50.795 1.00 0.00 C
289
+ ATOM 288 N ALA A 38 -7.778 6.151 47.537 1.00 0.00 N
290
+ ATOM 289 CA ALA A 38 -7.919 5.334 46.334 1.00 0.00 C
291
+ ATOM 290 C ALA A 38 -7.114 5.919 45.177 1.00 0.00 C
292
+ ATOM 291 CB ALA A 38 -9.390 5.209 45.944 1.00 0.00 C
293
+ ATOM 292 O ALA A 38 -6.522 5.179 44.387 1.00 0.00 O
294
+ ATOM 293 N VAL A 39 -7.022 7.183 45.129 1.00 0.00 N
295
+ ATOM 294 CA VAL A 39 -6.417 7.877 43.997 1.00 0.00 C
296
+ ATOM 295 C VAL A 39 -4.934 7.522 43.907 1.00 0.00 C
297
+ ATOM 296 CB VAL A 39 -6.594 9.407 44.108 1.00 0.00 C
298
+ ATOM 297 O VAL A 39 -4.376 7.436 42.811 1.00 0.00 O
299
+ ATOM 298 CG1 VAL A 39 -5.415 10.135 43.463 1.00 0.00 C
300
+ ATOM 299 CG2 VAL A 39 -7.910 9.840 43.464 1.00 0.00 C
301
+ ATOM 300 N TYR A 40 -4.273 7.273 45.000 1.00 0.00 N
302
+ ATOM 301 CA TYR A 40 -2.859 6.915 44.957 1.00 0.00 C
303
+ ATOM 302 C TYR A 40 -2.653 5.600 44.213 1.00 0.00 C
304
+ ATOM 303 CB TYR A 40 -2.288 6.807 46.375 1.00 0.00 C
305
+ ATOM 304 O TYR A 40 -1.711 5.466 43.428 1.00 0.00 O
306
+ ATOM 305 CG TYR A 40 -2.396 8.085 47.170 1.00 0.00 C
307
+ ATOM 306 CD1 TYR A 40 -2.535 9.316 46.532 1.00 0.00 C
308
+ ATOM 307 CD2 TYR A 40 -2.356 8.066 48.561 1.00 0.00 C
309
+ ATOM 308 CE1 TYR A 40 -2.631 10.498 47.261 1.00 0.00 C
310
+ ATOM 309 CE2 TYR A 40 -2.452 9.241 49.299 1.00 0.00 C
311
+ ATOM 310 OH TYR A 40 -2.686 11.615 49.369 1.00 0.00 O
312
+ ATOM 311 CZ TYR A 40 -2.590 10.449 48.642 1.00 0.00 C
313
+ ATOM 312 N TYR A 41 -3.543 4.729 44.380 1.00 0.00 N
314
+ ATOM 313 CA TYR A 41 -3.466 3.421 43.737 1.00 0.00 C
315
+ ATOM 314 C TYR A 41 -3.750 3.529 42.244 1.00 0.00 C
316
+ ATOM 315 CB TYR A 41 -4.451 2.444 44.387 1.00 0.00 C
317
+ ATOM 316 O TYR A 41 -3.036 2.945 41.426 1.00 0.00 O
318
+ ATOM 317 CG TYR A 41 -4.100 2.084 45.810 1.00 0.00 C
319
+ ATOM 318 CD1 TYR A 41 -3.229 1.034 46.089 1.00 0.00 C
320
+ ATOM 319 CD2 TYR A 41 -4.638 2.793 46.878 1.00 0.00 C
321
+ ATOM 320 CE1 TYR A 41 -2.904 0.697 47.398 1.00 0.00 C
322
+ ATOM 321 CE2 TYR A 41 -4.321 2.466 48.192 1.00 0.00 C
323
+ ATOM 322 OH TYR A 41 -3.136 1.089 49.741 1.00 0.00 O
324
+ ATOM 323 CZ TYR A 41 -3.454 1.418 48.442 1.00 0.00 C
325
+ ATOM 324 N THR A 42 -4.729 4.269 41.887 1.00 0.00 N
326
+ ATOM 325 CA THR A 42 -5.040 4.382 40.466 1.00 0.00 C
327
+ ATOM 326 C THR A 42 -3.917 5.097 39.722 1.00 0.00 C
328
+ ATOM 327 CB THR A 42 -6.367 5.131 40.242 1.00 0.00 C
329
+ ATOM 328 O THR A 42 -3.613 4.761 38.575 1.00 0.00 O
330
+ ATOM 329 CG2 THR A 42 -7.552 4.311 40.740 1.00 0.00 C
331
+ ATOM 330 OG1 THR A 42 -6.331 6.376 40.949 1.00 0.00 O
332
+ ATOM 331 N ASN A 43 -3.320 6.060 40.376 1.00 0.00 N
333
+ ATOM 332 CA ASN A 43 -2.188 6.738 39.754 1.00 0.00 C
334
+ ATOM 333 C ASN A 43 -1.011 5.788 39.544 1.00 0.00 C
335
+ ATOM 334 CB ASN A 43 -1.755 7.941 40.593 1.00 0.00 C
336
+ ATOM 335 O ASN A 43 -0.380 5.799 38.486 1.00 0.00 O
337
+ ATOM 336 CG ASN A 43 -2.712 9.111 40.472 1.00 0.00 C
338
+ ATOM 337 ND2 ASN A 43 -2.473 10.156 41.256 1.00 0.00 N
339
+ ATOM 338 OD1 ASN A 43 -3.659 9.076 39.682 1.00 0.00 O
340
+ ATOM 339 N ARG A 44 -0.734 5.004 40.509 1.00 0.00 N
341
+ ATOM 340 CA ARG A 44 0.357 4.045 40.371 1.00 0.00 C
342
+ ATOM 341 C ARG A 44 0.014 2.971 39.345 1.00 0.00 C
343
+ ATOM 342 CB ARG A 44 0.679 3.399 41.720 1.00 0.00 C
344
+ ATOM 343 O ARG A 44 0.870 2.562 38.557 1.00 0.00 O
345
+ ATOM 344 CG ARG A 44 1.983 2.617 41.731 1.00 0.00 C
346
+ ATOM 345 CD ARG A 44 2.388 2.217 43.144 1.00 0.00 C
347
+ ATOM 346 NE ARG A 44 1.435 1.279 43.732 1.00 0.00 N
348
+ ATOM 347 NH1 ARG A 44 2.547 1.095 45.749 1.00 0.00 N
349
+ ATOM 348 NH2 ARG A 44 0.610 -0.079 45.391 1.00 0.00 N
350
+ ATOM 349 CZ ARG A 44 1.533 0.767 44.955 1.00 0.00 C
351
+ ATOM 350 N ALA A 45 -1.240 2.538 39.336 1.00 0.00 N
352
+ ATOM 351 CA ALA A 45 -1.693 1.570 38.340 1.00 0.00 C
353
+ ATOM 352 C ALA A 45 -1.429 2.076 36.925 1.00 0.00 C
354
+ ATOM 353 CB ALA A 45 -3.178 1.272 38.528 1.00 0.00 C
355
+ ATOM 354 O ALA A 45 -0.990 1.316 36.059 1.00 0.00 O
356
+ ATOM 355 N LEU A 46 -1.660 3.304 36.712 1.00 0.00 N
357
+ ATOM 356 CA LEU A 46 -1.454 3.890 35.391 1.00 0.00 C
358
+ ATOM 357 C LEU A 46 0.019 3.843 35.000 1.00 0.00 C
359
+ ATOM 358 CB LEU A 46 -1.956 5.335 35.361 1.00 0.00 C
360
+ ATOM 359 O LEU A 46 0.349 3.614 33.834 1.00 0.00 O
361
+ ATOM 360 CG LEU A 46 -1.817 6.073 34.028 1.00 0.00 C
362
+ ATOM 361 CD1 LEU A 46 -2.541 5.312 32.923 1.00 0.00 C
363
+ ATOM 362 CD2 LEU A 46 -2.356 7.495 34.146 1.00 0.00 C
364
+ ATOM 363 N CYS A 47 0.911 4.066 35.934 1.00 0.00 N
365
+ ATOM 364 CA CYS A 47 2.335 3.916 35.655 1.00 0.00 C
366
+ ATOM 365 C CYS A 47 2.659 2.491 35.222 1.00 0.00 C
367
+ ATOM 366 CB CYS A 47 3.164 4.286 36.885 1.00 0.00 C
368
+ ATOM 367 O CYS A 47 3.359 2.283 34.230 1.00 0.00 O
369
+ ATOM 368 SG CYS A 47 2.999 6.015 37.380 1.00 0.00 S
370
+ ATOM 369 N TYR A 48 2.118 1.543 35.905 1.00 0.00 N
371
+ ATOM 370 CA TYR A 48 2.360 0.137 35.603 1.00 0.00 C
372
+ ATOM 371 C TYR A 48 1.805 -0.231 34.233 1.00 0.00 C
373
+ ATOM 372 CB TYR A 48 1.734 -0.759 36.677 1.00 0.00 C
374
+ ATOM 373 O TYR A 48 2.428 -0.990 33.488 1.00 0.00 O
375
+ ATOM 374 CG TYR A 48 2.415 -0.663 38.021 1.00 0.00 C
376
+ ATOM 375 CD1 TYR A 48 3.794 -0.488 38.114 1.00 0.00 C
377
+ ATOM 376 CD2 TYR A 48 1.682 -0.746 39.200 1.00 0.00 C
378
+ ATOM 377 CE1 TYR A 48 4.426 -0.400 39.350 1.00 0.00 C
379
+ ATOM 378 CE2 TYR A 48 2.303 -0.659 40.441 1.00 0.00 C
380
+ ATOM 379 OH TYR A 48 4.293 -0.400 41.733 1.00 0.00 O
381
+ ATOM 380 CZ TYR A 48 3.673 -0.486 40.506 1.00 0.00 C
382
+ ATOM 381 N LEU A 49 0.664 0.306 33.918 1.00 0.00 N
383
+ ATOM 382 CA LEU A 49 0.111 0.084 32.587 1.00 0.00 C
384
+ ATOM 383 C LEU A 49 1.066 0.589 31.511 1.00 0.00 C
385
+ ATOM 384 CB LEU A 49 -1.247 0.778 32.449 1.00 0.00 C
386
+ ATOM 385 O LEU A 49 1.333 -0.113 30.533 1.00 0.00 O
387
+ ATOM 386 CG LEU A 49 -2.451 0.035 33.030 1.00 0.00 C
388
+ ATOM 387 CD1 LEU A 49 -3.674 0.945 33.055 1.00 0.00 C
389
+ ATOM 388 CD2 LEU A 49 -2.736 -1.230 32.229 1.00 0.00 C
390
+ ATOM 389 N LYS A 50 1.619 1.760 31.751 1.00 0.00 N
391
+ ATOM 390 CA LYS A 50 2.545 2.348 30.786 1.00 0.00 C
392
+ ATOM 391 C LYS A 50 3.826 1.526 30.684 1.00 0.00 C
393
+ ATOM 392 CB LYS A 50 2.875 3.791 31.169 1.00 0.00 C
394
+ ATOM 393 O LYS A 50 4.460 1.482 29.628 1.00 0.00 O
395
+ ATOM 394 CG LYS A 50 1.690 4.741 31.087 1.00 0.00 C
396
+ ATOM 395 CD LYS A 50 1.121 4.804 29.675 1.00 0.00 C
397
+ ATOM 396 CE LYS A 50 -0.061 5.760 29.590 1.00 0.00 C
398
+ ATOM 397 NZ LYS A 50 -0.703 5.728 28.241 1.00 0.00 N
399
+ ATOM 398 N MET A 51 4.171 0.844 31.683 1.00 0.00 N
400
+ ATOM 399 CA MET A 51 5.379 0.025 31.738 1.00 0.00 C
401
+ ATOM 400 C MET A 51 5.070 -1.424 31.374 1.00 0.00 C
402
+ ATOM 401 CB MET A 51 6.011 0.090 33.129 1.00 0.00 C
403
+ ATOM 402 O MET A 51 5.928 -2.298 31.506 1.00 0.00 O
404
+ ATOM 403 CG MET A 51 6.566 1.459 33.487 1.00 0.00 C
405
+ ATOM 404 SD MET A 51 7.417 1.471 35.112 1.00 0.00 S
406
+ ATOM 405 CE MET A 51 6.002 1.215 36.217 1.00 0.00 C
407
+ ATOM 406 N GLN A 52 3.867 -1.699 31.045 1.00 0.00 N
408
+ ATOM 407 CA GLN A 52 3.387 -3.017 30.643 1.00 0.00 C
409
+ ATOM 408 C GLN A 52 3.529 -4.025 31.780 1.00 0.00 C
410
+ ATOM 409 CB GLN A 52 4.141 -3.509 29.407 1.00 0.00 C
411
+ ATOM 410 O GLN A 52 3.774 -5.210 31.539 1.00 0.00 O
412
+ ATOM 411 CG GLN A 52 4.007 -2.591 28.199 1.00 0.00 C
413
+ ATOM 412 CD GLN A 52 4.358 -3.283 26.895 1.00 0.00 C
414
+ ATOM 413 NE2 GLN A 52 4.399 -2.516 25.810 1.00 0.00 N
415
+ ATOM 414 OE1 GLN A 52 4.589 -4.495 26.862 1.00 0.00 O
416
+ ATOM 415 N GLN A 53 3.470 -3.596 32.955 1.00 0.00 N
417
+ ATOM 416 CA GLN A 53 3.413 -4.426 34.153 1.00 0.00 C
418
+ ATOM 417 C GLN A 53 1.970 -4.662 34.593 1.00 0.00 C
419
+ ATOM 418 CB GLN A 53 4.209 -3.784 35.290 1.00 0.00 C
420
+ ATOM 419 O GLN A 53 1.529 -4.122 35.609 1.00 0.00 O
421
+ ATOM 420 CG GLN A 53 5.695 -3.631 34.990 1.00 0.00 C
422
+ ATOM 421 CD GLN A 53 6.471 -3.048 36.157 1.00 0.00 C
423
+ ATOM 422 NE2 GLN A 53 7.652 -2.509 35.872 1.00 0.00 N
424
+ ATOM 423 OE1 GLN A 53 6.014 -3.082 37.303 1.00 0.00 O
425
+ ATOM 424 N HIS A 54 1.259 -5.547 33.973 1.00 0.00 N
426
+ ATOM 425 CA HIS A 54 -0.195 -5.658 34.031 1.00 0.00 C
427
+ ATOM 426 C HIS A 54 -0.648 -6.275 35.350 1.00 0.00 C
428
+ ATOM 427 CB HIS A 54 -0.716 -6.488 32.856 1.00 0.00 C
429
+ ATOM 428 O HIS A 54 -1.689 -5.896 35.892 1.00 0.00 O
430
+ ATOM 429 CG HIS A 54 -0.387 -5.907 31.519 1.00 0.00 C
431
+ ATOM 430 CD2 HIS A 54 0.281 -6.430 30.462 1.00 0.00 C
432
+ ATOM 431 ND1 HIS A 54 -0.754 -4.631 31.150 1.00 0.00 N
433
+ ATOM 432 CE1 HIS A 54 -0.327 -4.394 29.921 1.00 0.00 C
434
+ ATOM 433 NE2 HIS A 54 0.303 -5.469 29.482 1.00 0.00 N
435
+ ATOM 434 N GLU A 55 0.100 -7.171 35.888 1.00 0.00 N
436
+ ATOM 435 CA GLU A 55 -0.274 -7.794 37.155 1.00 0.00 C
437
+ ATOM 436 C GLU A 55 -0.254 -6.781 38.296 1.00 0.00 C
438
+ ATOM 437 CB GLU A 55 0.661 -8.964 37.474 1.00 0.00 C
439
+ ATOM 438 O GLU A 55 -1.161 -6.760 39.130 1.00 0.00 O
440
+ ATOM 439 CG GLU A 55 0.258 -10.271 36.805 1.00 0.00 C
441
+ ATOM 440 CD GLU A 55 1.429 -11.215 36.580 1.00 0.00 C
442
+ ATOM 441 OE1 GLU A 55 1.238 -12.280 35.952 1.00 0.00 O
443
+ ATOM 442 OE2 GLU A 55 2.547 -10.886 37.037 1.00 0.00 O
444
+ ATOM 443 N GLN A 56 0.771 -5.974 38.258 1.00 0.00 N
445
+ ATOM 444 CA GLN A 56 0.870 -4.935 39.276 1.00 0.00 C
446
+ ATOM 445 C GLN A 56 -0.238 -3.898 39.114 1.00 0.00 C
447
+ ATOM 446 CB GLN A 56 2.238 -4.255 39.221 1.00 0.00 C
448
+ ATOM 447 O GLN A 56 -0.826 -3.450 40.100 1.00 0.00 O
449
+ ATOM 448 CG GLN A 56 3.386 -5.143 39.684 1.00 0.00 C
450
+ ATOM 449 CD GLN A 56 4.491 -5.259 38.652 1.00 0.00 C
451
+ ATOM 450 NE2 GLN A 56 5.700 -4.861 39.032 1.00 0.00 N
452
+ ATOM 451 OE1 GLN A 56 4.261 -5.705 37.523 1.00 0.00 O
453
+ ATOM 452 N ALA A 57 -0.514 -3.535 37.913 1.00 0.00 N
454
+ ATOM 453 CA ALA A 57 -1.602 -2.600 37.643 1.00 0.00 C
455
+ ATOM 454 C ALA A 57 -2.939 -3.160 38.119 1.00 0.00 C
456
+ ATOM 455 CB ALA A 57 -1.666 -2.274 36.152 1.00 0.00 C
457
+ ATOM 456 O ALA A 57 -3.724 -2.454 38.755 1.00 0.00 O
458
+ ATOM 457 N LEU A 58 -3.134 -4.401 37.861 1.00 0.00 N
459
+ ATOM 458 CA LEU A 58 -4.364 -5.076 38.264 1.00 0.00 C
460
+ ATOM 459 C LEU A 58 -4.529 -5.046 39.779 1.00 0.00 C
461
+ ATOM 460 CB LEU A 58 -4.369 -6.523 37.766 1.00 0.00 C
462
+ ATOM 461 O LEU A 58 -5.609 -4.728 40.285 1.00 0.00 O
463
+ ATOM 462 CG LEU A 58 -5.720 -7.240 37.785 1.00 0.00 C
464
+ ATOM 463 CD1 LEU A 58 -5.885 -8.091 36.529 1.00 0.00 C
465
+ ATOM 464 CD2 LEU A 58 -5.853 -8.099 39.038 1.00 0.00 C
466
+ ATOM 465 N ALA A 59 -3.505 -5.377 40.477 1.00 0.00 N
467
+ ATOM 466 CA ALA A 59 -3.535 -5.393 41.937 1.00 0.00 C
468
+ ATOM 467 C ALA A 59 -3.875 -4.014 42.494 1.00 0.00 C
469
+ ATOM 468 CB ALA A 59 -2.194 -5.870 42.490 1.00 0.00 C
470
+ ATOM 469 O ALA A 59 -4.697 -3.892 43.406 1.00 0.00 O
471
+ ATOM 470 N ASP A 60 -3.296 -2.997 41.936 1.00 0.00 N
472
+ ATOM 471 CA ASP A 60 -3.554 -1.633 42.386 1.00 0.00 C
473
+ ATOM 472 C ASP A 60 -4.991 -1.216 42.079 1.00 0.00 C
474
+ ATOM 473 CB ASP A 60 -2.572 -0.657 41.735 1.00 0.00 C
475
+ ATOM 474 O ASP A 60 -5.639 -0.556 42.893 1.00 0.00 O
476
+ ATOM 475 CG ASP A 60 -1.286 -0.494 42.526 1.00 0.00 C
477
+ ATOM 476 OD1 ASP A 60 -1.173 -1.066 43.631 1.00 0.00 O
478
+ ATOM 477 OD2 ASP A 60 -0.379 0.216 42.041 1.00 0.00 O
479
+ ATOM 478 N CYS A 61 -5.501 -1.565 40.976 1.00 0.00 N
480
+ ATOM 479 CA CYS A 61 -6.883 -1.242 40.640 1.00 0.00 C
481
+ ATOM 480 C CYS A 61 -7.852 -1.931 41.593 1.00 0.00 C
482
+ ATOM 481 CB CYS A 61 -7.194 -1.649 39.200 1.00 0.00 C
483
+ ATOM 482 O CYS A 61 -8.831 -1.327 42.035 1.00 0.00 O
484
+ ATOM 483 SG CYS A 61 -6.348 -0.644 37.961 1.00 0.00 S
485
+ ATOM 484 N ARG A 62 -7.577 -3.115 41.916 1.00 0.00 N
486
+ ATOM 485 CA ARG A 62 -8.434 -3.840 42.850 1.00 0.00 C
487
+ ATOM 486 C ARG A 62 -8.428 -3.178 44.224 1.00 0.00 C
488
+ ATOM 487 CB ARG A 62 -7.988 -5.298 42.968 1.00 0.00 C
489
+ ATOM 488 O ARG A 62 -9.486 -2.981 44.828 1.00 0.00 O
490
+ ATOM 489 CG ARG A 62 -8.322 -6.146 41.751 1.00 0.00 C
491
+ ATOM 490 CD ARG A 62 -7.848 -7.583 41.918 1.00 0.00 C
492
+ ATOM 491 NE ARG A 62 -8.323 -8.436 40.832 1.00 0.00 N
493
+ ATOM 492 NH1 ARG A 62 -7.078 -10.279 41.457 1.00 0.00 N
494
+ ATOM 493 NH2 ARG A 62 -8.441 -10.382 39.617 1.00 0.00 N
495
+ ATOM 494 CZ ARG A 62 -7.946 -9.697 40.637 1.00 0.00 C
496
+ ATOM 495 N ARG A 63 -7.303 -2.807 44.665 1.00 0.00 N
497
+ ATOM 496 CA ARG A 63 -7.206 -2.116 45.947 1.00 0.00 C
498
+ ATOM 497 C ARG A 63 -7.959 -0.790 45.912 1.00 0.00 C
499
+ ATOM 498 CB ARG A 63 -5.742 -1.878 46.320 1.00 0.00 C
500
+ ATOM 499 O ARG A 63 -8.649 -0.437 46.871 1.00 0.00 O
501
+ ATOM 500 CG ARG A 63 -5.550 -1.263 47.698 1.00 0.00 C
502
+ ATOM 501 CD ARG A 63 -6.188 -2.113 48.788 1.00 0.00 C
503
+ ATOM 502 NE ARG A 63 -5.975 -1.539 50.114 1.00 0.00 N
504
+ ATOM 503 NH1 ARG A 63 -7.858 -2.489 51.055 1.00 0.00 N
505
+ ATOM 504 NH2 ARG A 63 -6.485 -1.160 52.320 1.00 0.00 N
506
+ ATOM 505 CZ ARG A 63 -6.772 -1.730 51.160 1.00 0.00 C
507
+ ATOM 506 N ALA A 64 -7.802 -0.075 44.823 1.00 0.00 N
508
+ ATOM 507 CA ALA A 64 -8.532 1.180 44.666 1.00 0.00 C
509
+ ATOM 508 C ALA A 64 -10.038 0.954 44.760 1.00 0.00 C
510
+ ATOM 509 CB ALA A 64 -8.178 1.839 43.335 1.00 0.00 C
511
+ ATOM 510 O ALA A 64 -10.755 1.752 45.370 1.00 0.00 O
512
+ ATOM 511 N LEU A 65 -10.507 -0.100 44.274 1.00 0.00 N
513
+ ATOM 512 CA LEU A 65 -11.936 -0.389 44.246 1.00 0.00 C
514
+ ATOM 513 C LEU A 65 -12.425 -0.846 45.616 1.00 0.00 C
515
+ ATOM 514 CB LEU A 65 -12.246 -1.461 43.197 1.00 0.00 C
516
+ ATOM 515 O LEU A 65 -13.591 -0.646 45.962 1.00 0.00 O
517
+ ATOM 516 CG LEU A 65 -12.191 -1.014 41.735 1.00 0.00 C
518
+ ATOM 517 CD1 LEU A 65 -12.361 -2.213 40.809 1.00 0.00 C
519
+ ATOM 518 CD2 LEU A 65 -13.259 0.039 41.457 1.00 0.00 C
520
+ ATOM 519 N GLU A 66 -11.566 -1.459 46.350 1.00 0.00 N
521
+ ATOM 520 CA GLU A 66 -11.890 -1.777 47.737 1.00 0.00 C
522
+ ATOM 521 C GLU A 66 -12.129 -0.510 48.553 1.00 0.00 C
523
+ ATOM 522 CB GLU A 66 -10.772 -2.609 48.373 1.00 0.00 C
524
+ ATOM 523 O GLU A 66 -12.986 -0.489 49.439 1.00 0.00 O
525
+ ATOM 524 CG GLU A 66 -10.676 -4.027 47.831 1.00 0.00 C
526
+ ATOM 525 CD GLU A 66 -9.438 -4.770 48.308 1.00 0.00 C
527
+ ATOM 526 OE1 GLU A 66 -9.196 -5.906 47.845 1.00 0.00 O
528
+ ATOM 527 OE2 GLU A 66 -8.706 -4.210 49.154 1.00 0.00 O
529
+ ATOM 528 N LEU A 67 -11.393 0.431 48.255 1.00 0.00 N
530
+ ATOM 529 CA LEU A 67 -11.474 1.696 48.978 1.00 0.00 C
531
+ ATOM 530 C LEU A 67 -12.624 2.549 48.453 1.00 0.00 C
532
+ ATOM 531 CB LEU A 67 -10.156 2.466 48.861 1.00 0.00 C
533
+ ATOM 532 O LEU A 67 -13.279 3.256 49.223 1.00 0.00 O
534
+ ATOM 533 CG LEU A 67 -8.939 1.832 49.535 1.00 0.00 C
535
+ ATOM 534 CD1 LEU A 67 -7.667 2.576 49.139 1.00 0.00 C
536
+ ATOM 535 CD2 LEU A 67 -9.109 1.823 51.050 1.00 0.00 C
537
+ ATOM 536 N ASP A 68 -12.881 2.560 47.161 1.00 0.00 N
538
+ ATOM 537 CA ASP A 68 -13.929 3.308 46.473 1.00 0.00 C
539
+ ATOM 538 C ASP A 68 -14.507 2.501 45.313 1.00 0.00 C
540
+ ATOM 539 CB ASP A 68 -13.387 4.646 45.964 1.00 0.00 C
541
+ ATOM 540 O ASP A 68 -14.018 2.587 44.184 1.00 0.00 O
542
+ ATOM 541 CG ASP A 68 -14.429 5.463 45.219 1.00 0.00 C
543
+ ATOM 542 OD1 ASP A 68 -15.627 5.108 45.262 1.00 0.00 O
544
+ ATOM 543 OD2 ASP A 68 -14.048 6.468 44.581 1.00 0.00 O
545
+ ATOM 544 N GLY A 69 -15.536 1.890 45.526 1.00 0.00 N
546
+ ATOM 545 CA GLY A 69 -16.169 1.026 44.543 1.00 0.00 C
547
+ ATOM 546 C GLY A 69 -16.760 1.787 43.371 1.00 0.00 C
548
+ ATOM 547 O GLY A 69 -17.088 1.194 42.341 1.00 0.00 O
549
+ ATOM 548 N GLN A 70 -16.814 3.098 43.471 1.00 0.00 N
550
+ ATOM 549 CA GLN A 70 -17.427 3.913 42.428 1.00 0.00 C
551
+ ATOM 550 C GLN A 70 -16.372 4.687 41.643 1.00 0.00 C
552
+ ATOM 551 CB GLN A 70 -18.446 4.881 43.032 1.00 0.00 C
553
+ ATOM 552 O GLN A 70 -16.698 5.614 40.901 1.00 0.00 O
554
+ ATOM 553 CG GLN A 70 -19.634 4.192 43.690 1.00 0.00 C
555
+ ATOM 554 CD GLN A 70 -20.443 3.358 42.714 1.00 0.00 C
556
+ ATOM 555 NE2 GLN A 70 -20.720 2.112 43.086 1.00 0.00 N
557
+ ATOM 556 OE1 GLN A 70 -20.817 3.829 41.636 1.00 0.00 O
558
+ ATOM 557 N SER A 71 -15.123 4.308 41.769 1.00 0.00 N
559
+ ATOM 558 CA SER A 71 -14.042 4.984 41.060 1.00 0.00 C
560
+ ATOM 559 C SER A 71 -14.074 4.664 39.569 1.00 0.00 C
561
+ ATOM 560 CB SER A 71 -12.686 4.588 41.645 1.00 0.00 C
562
+ ATOM 561 O SER A 71 -13.752 3.546 39.162 1.00 0.00 O
563
+ ATOM 562 OG SER A 71 -11.628 5.143 40.883 1.00 0.00 O
564
+ ATOM 563 N VAL A 72 -14.323 5.687 38.799 1.00 0.00 N
565
+ ATOM 564 CA VAL A 72 -14.353 5.548 37.347 1.00 0.00 C
566
+ ATOM 565 C VAL A 72 -12.974 5.134 36.839 1.00 0.00 C
567
+ ATOM 566 CB VAL A 72 -14.805 6.855 36.660 1.00 0.00 C
568
+ ATOM 567 O VAL A 72 -12.854 4.209 36.032 1.00 0.00 O
569
+ ATOM 568 CG1 VAL A 72 -14.732 6.719 35.140 1.00 0.00 C
570
+ ATOM 569 CG2 VAL A 72 -16.220 7.227 37.099 1.00 0.00 C
571
+ ATOM 570 N LYS A 73 -11.946 5.737 37.331 1.00 0.00 N
572
+ ATOM 571 CA LYS A 73 -10.578 5.471 36.898 1.00 0.00 C
573
+ ATOM 572 C LYS A 73 -10.166 4.039 37.229 1.00 0.00 C
574
+ ATOM 573 CB LYS A 73 -9.608 6.459 37.546 1.00 0.00 C
575
+ ATOM 574 O LYS A 73 -9.520 3.371 36.419 1.00 0.00 O
576
+ ATOM 575 CG LYS A 73 -9.547 7.813 36.854 1.00 0.00 C
577
+ ATOM 576 CD LYS A 73 -8.473 8.705 37.462 1.00 0.00 C
578
+ ATOM 577 CE LYS A 73 -8.662 10.162 37.062 1.00 0.00 C
579
+ ATOM 578 NZ LYS A 73 -7.599 11.037 37.641 1.00 0.00 N
580
+ ATOM 579 N ALA A 74 -10.520 3.586 38.374 1.00 0.00 N
581
+ ATOM 580 CA ALA A 74 -10.137 2.232 38.766 1.00 0.00 C
582
+ ATOM 581 C ALA A 74 -10.767 1.195 37.842 1.00 0.00 C
583
+ ATOM 582 CB ALA A 74 -10.538 1.964 40.214 1.00 0.00 C
584
+ ATOM 583 O ALA A 74 -10.084 0.288 37.358 1.00 0.00 O
585
+ ATOM 584 N HIS A 75 -12.030 1.359 37.561 1.00 0.00 N
586
+ ATOM 585 CA HIS A 75 -12.692 0.455 36.627 1.00 0.00 C
587
+ ATOM 586 C HIS A 75 -12.087 0.565 35.231 1.00 0.00 C
588
+ ATOM 587 CB HIS A 75 -14.193 0.746 36.572 1.00 0.00 C
589
+ ATOM 588 O HIS A 75 -11.874 -0.448 34.561 1.00 0.00 O
590
+ ATOM 589 CG HIS A 75 -14.960 0.165 37.717 1.00 0.00 C
591
+ ATOM 590 CD2 HIS A 75 -15.601 0.758 38.752 1.00 0.00 C
592
+ ATOM 591 ND1 HIS A 75 -15.126 -1.193 37.888 1.00 0.00 N
593
+ ATOM 592 CE1 HIS A 75 -15.840 -1.409 38.979 1.00 0.00 C
594
+ ATOM 593 NE2 HIS A 75 -16.141 -0.241 39.522 1.00 0.00 N
595
+ ATOM 594 N PHE A 76 -11.810 1.758 34.855 1.00 0.00 N
596
+ ATOM 595 CA PHE A 76 -11.255 1.975 33.524 1.00 0.00 C
597
+ ATOM 596 C PHE A 76 -9.887 1.315 33.394 1.00 0.00 C
598
+ ATOM 597 CB PHE A 76 -11.147 3.473 33.222 1.00 0.00 C
599
+ ATOM 598 O PHE A 76 -9.648 0.546 32.461 1.00 0.00 O
600
+ ATOM 599 CG PHE A 76 -10.545 3.779 31.879 1.00 0.00 C
601
+ ATOM 600 CD1 PHE A 76 -9.433 4.606 31.772 1.00 0.00 C
602
+ ATOM 601 CD2 PHE A 76 -11.090 3.241 30.721 1.00 0.00 C
603
+ ATOM 602 CE1 PHE A 76 -8.873 4.892 30.529 1.00 0.00 C
604
+ ATOM 603 CE2 PHE A 76 -10.537 3.521 29.475 1.00 0.00 C
605
+ ATOM 604 CZ PHE A 76 -9.428 4.348 29.381 1.00 0.00 C
606
+ ATOM 605 N PHE A 77 -8.977 1.566 34.315 1.00 0.00 N
607
+ ATOM 606 CA PHE A 77 -7.634 1.004 34.240 1.00 0.00 C
608
+ ATOM 607 C PHE A 77 -7.669 -0.509 34.431 1.00 0.00 C
609
+ ATOM 608 CB PHE A 77 -6.723 1.643 35.292 1.00 0.00 C
610
+ ATOM 609 O PHE A 77 -6.869 -1.232 33.835 1.00 0.00 O
611
+ ATOM 610 CG PHE A 77 -6.460 3.107 35.058 1.00 0.00 C
612
+ ATOM 611 CD1 PHE A 77 -6.646 3.667 33.801 1.00 0.00 C
613
+ ATOM 612 CD2 PHE A 77 -6.025 3.921 36.096 1.00 0.00 C
614
+ ATOM 613 CE1 PHE A 77 -6.402 5.022 33.581 1.00 0.00 C
615
+ ATOM 614 CE2 PHE A 77 -5.781 5.274 35.884 1.00 0.00 C
616
+ ATOM 615 CZ PHE A 77 -5.968 5.822 34.626 1.00 0.00 C
617
+ ATOM 616 N LEU A 78 -8.606 -1.000 35.203 1.00 0.00 N
618
+ ATOM 617 CA LEU A 78 -8.788 -2.440 35.343 1.00 0.00 C
619
+ ATOM 618 C LEU A 78 -9.180 -3.070 34.012 1.00 0.00 C
620
+ ATOM 619 CB LEU A 78 -9.853 -2.746 36.400 1.00 0.00 C
621
+ ATOM 620 O LEU A 78 -8.600 -4.078 33.602 1.00 0.00 O
622
+ ATOM 621 CG LEU A 78 -10.102 -4.224 36.703 1.00 0.00 C
623
+ ATOM 622 CD1 LEU A 78 -8.807 -4.900 37.141 1.00 0.00 C
624
+ ATOM 623 CD2 LEU A 78 -11.179 -4.376 37.772 1.00 0.00 C
625
+ ATOM 624 N GLY A 79 -10.116 -2.434 33.374 1.00 0.00 N
626
+ ATOM 625 CA GLY A 79 -10.505 -2.895 32.051 1.00 0.00 C
627
+ ATOM 626 C GLY A 79 -9.360 -2.888 31.056 1.00 0.00 C
628
+ ATOM 627 O GLY A 79 -9.211 -3.822 30.265 1.00 0.00 O
629
+ ATOM 628 N GLN A 80 -8.585 -1.861 31.088 1.00 0.00 N
630
+ ATOM 629 CA GLN A 80 -7.426 -1.772 30.206 1.00 0.00 C
631
+ ATOM 630 C GLN A 80 -6.434 -2.897 30.488 1.00 0.00 C
632
+ ATOM 631 CB GLN A 80 -6.738 -0.415 30.358 1.00 0.00 C
633
+ ATOM 632 O GLN A 80 -5.898 -3.505 29.558 1.00 0.00 O
634
+ ATOM 633 CG GLN A 80 -7.414 0.708 29.583 1.00 0.00 C
635
+ ATOM 634 CD GLN A 80 -6.784 0.946 28.224 1.00 0.00 C
636
+ ATOM 635 NE2 GLN A 80 -7.005 2.131 27.667 1.00 0.00 N
637
+ ATOM 636 OE1 GLN A 80 -6.103 0.071 27.679 1.00 0.00 O
638
+ ATOM 637 N CYS A 81 -6.181 -3.147 31.739 1.00 0.00 N
639
+ ATOM 638 CA CYS A 81 -5.301 -4.244 32.126 1.00 0.00 C
640
+ ATOM 639 C CYS A 81 -5.819 -5.573 31.587 1.00 0.00 C
641
+ ATOM 640 CB CYS A 81 -5.171 -4.316 33.647 1.00 0.00 C
642
+ ATOM 641 O CYS A 81 -5.058 -6.350 31.007 1.00 0.00 O
643
+ ATOM 642 SG CYS A 81 -3.845 -3.287 34.313 1.00 0.00 S
644
+ ATOM 643 N GLN A 82 -7.043 -5.782 31.724 1.00 0.00 N
645
+ ATOM 644 CA GLN A 82 -7.682 -7.029 31.319 1.00 0.00 C
646
+ ATOM 645 C GLN A 82 -7.661 -7.189 29.801 1.00 0.00 C
647
+ ATOM 646 CB GLN A 82 -9.121 -7.087 31.833 1.00 0.00 C
648
+ ATOM 647 O GLN A 82 -7.527 -8.304 29.291 1.00 0.00 O
649
+ ATOM 648 CG GLN A 82 -9.229 -7.320 33.334 1.00 0.00 C
650
+ ATOM 649 CD GLN A 82 -10.628 -7.076 33.867 1.00 0.00 C
651
+ ATOM 650 NE2 GLN A 82 -10.937 -7.669 35.016 1.00 0.00 N
652
+ ATOM 651 OE1 GLN A 82 -11.425 -6.359 33.254 1.00 0.00 O
653
+ ATOM 652 N LEU A 83 -7.807 -6.067 29.164 1.00 0.00 N
654
+ ATOM 653 CA LEU A 83 -7.708 -6.078 27.707 1.00 0.00 C
655
+ ATOM 654 C LEU A 83 -6.328 -6.550 27.261 1.00 0.00 C
656
+ ATOM 655 CB LEU A 83 -7.993 -4.686 27.140 1.00 0.00 C
657
+ ATOM 656 O LEU A 83 -6.215 -7.421 26.396 1.00 0.00 O
658
+ ATOM 657 CG LEU A 83 -8.131 -4.589 25.619 1.00 0.00 C
659
+ ATOM 658 CD1 LEU A 83 -9.377 -5.333 25.152 1.00 0.00 C
660
+ ATOM 659 CD2 LEU A 83 -8.176 -3.130 25.178 1.00 0.00 C
661
+ ATOM 660 N GLU A 84 -5.274 -6.054 27.861 1.00 0.00 N
662
+ ATOM 661 CA GLU A 84 -3.898 -6.407 27.529 1.00 0.00 C
663
+ ATOM 662 C GLU A 84 -3.590 -7.852 27.914 1.00 0.00 C
664
+ ATOM 663 CB GLU A 84 -2.917 -5.458 28.221 1.00 0.00 C
665
+ ATOM 664 O GLU A 84 -2.753 -8.503 27.286 1.00 0.00 O
666
+ ATOM 665 CG GLU A 84 -3.043 -4.009 27.772 1.00 0.00 C
667
+ ATOM 666 CD GLU A 84 -2.742 -3.809 26.295 1.00 0.00 C
668
+ ATOM 667 OE1 GLU A 84 -3.384 -2.946 25.657 1.00 0.00 O
669
+ ATOM 668 OE2 GLU A 84 -1.857 -4.524 25.773 1.00 0.00 O
670
+ ATOM 669 N MET A 85 -4.312 -8.332 28.822 1.00 0.00 N
671
+ ATOM 670 CA MET A 85 -4.105 -9.697 29.295 1.00 0.00 C
672
+ ATOM 671 C MET A 85 -5.034 -10.669 28.574 1.00 0.00 C
673
+ ATOM 672 CB MET A 85 -4.329 -9.783 30.806 1.00 0.00 C
674
+ ATOM 673 O MET A 85 -5.155 -11.829 28.974 1.00 0.00 O
675
+ ATOM 674 CG MET A 85 -3.313 -9.001 31.622 1.00 0.00 C
676
+ ATOM 675 SD MET A 85 -3.695 -9.010 33.416 1.00 0.00 S
677
+ ATOM 676 CE MET A 85 -3.221 -10.710 33.836 1.00 0.00 C
678
+ ATOM 677 N GLU A 86 -5.776 -10.216 27.717 1.00 0.00 N
679
+ ATOM 678 CA GLU A 86 -6.648 -10.970 26.821 1.00 0.00 C
680
+ ATOM 679 C GLU A 86 -7.836 -11.560 27.575 1.00 0.00 C
681
+ ATOM 680 CB GLU A 86 -5.866 -12.081 26.117 1.00 0.00 C
682
+ ATOM 681 O GLU A 86 -8.421 -12.555 27.142 1.00 0.00 O
683
+ ATOM 682 CG GLU A 86 -4.678 -11.581 25.309 1.00 0.00 C
684
+ ATOM 683 CD GLU A 86 -4.031 -12.664 24.462 1.00 0.00 C
685
+ ATOM 684 OE1 GLU A 86 -3.071 -12.360 23.717 1.00 0.00 O
686
+ ATOM 685 OE2 GLU A 86 -4.486 -13.827 24.543 1.00 0.00 O
687
+ ATOM 686 N SER A 87 -8.124 -11.087 28.671 1.00 0.00 N
688
+ ATOM 687 CA SER A 87 -9.374 -11.362 29.372 1.00 0.00 C
689
+ ATOM 688 C SER A 87 -10.493 -10.448 28.887 1.00 0.00 C
690
+ ATOM 689 CB SER A 87 -9.190 -11.200 30.881 1.00 0.00 C
691
+ ATOM 690 O SER A 87 -10.934 -9.558 29.616 1.00 0.00 O
692
+ ATOM 691 OG SER A 87 -8.244 -12.133 31.376 1.00 0.00 O
693
+ ATOM 692 N TYR A 88 -10.997 -10.713 27.719 1.00 0.00 N
694
+ ATOM 693 CA TYR A 88 -11.798 -9.754 26.967 1.00 0.00 C
695
+ ATOM 694 C TYR A 88 -13.170 -9.570 27.603 1.00 0.00 C
696
+ ATOM 695 CB TYR A 88 -11.952 -10.207 25.512 1.00 0.00 C
697
+ ATOM 696 O TYR A 88 -13.686 -8.452 27.669 1.00 0.00 O
698
+ ATOM 697 CG TYR A 88 -10.641 -10.352 24.779 1.00 0.00 C
699
+ ATOM 698 CD1 TYR A 88 -9.734 -9.297 24.719 1.00 0.00 C
700
+ ATOM 699 CD2 TYR A 88 -10.308 -11.543 24.144 1.00 0.00 C
701
+ ATOM 700 CE1 TYR A 88 -8.525 -9.425 24.043 1.00 0.00 C
702
+ ATOM 701 CE2 TYR A 88 -9.102 -11.683 23.464 1.00 0.00 C
703
+ ATOM 702 OH TYR A 88 -7.024 -10.754 22.749 1.00 0.00 O
704
+ ATOM 703 CZ TYR A 88 -8.218 -10.621 23.420 1.00 0.00 C
705
+ ATOM 704 N ASP A 89 -13.740 -10.629 28.062 1.00 0.00 N
706
+ ATOM 705 CA ASP A 89 -15.066 -10.505 28.658 1.00 0.00 C
707
+ ATOM 706 C ASP A 89 -15.018 -9.668 29.935 1.00 0.00 C
708
+ ATOM 707 CB ASP A 89 -15.652 -11.886 28.955 1.00 0.00 C
709
+ ATOM 708 O ASP A 89 -15.874 -8.807 30.152 1.00 0.00 O
710
+ ATOM 709 CG ASP A 89 -16.105 -12.619 27.705 1.00 0.00 C
711
+ ATOM 710 OD1 ASP A 89 -16.543 -11.962 26.737 1.00 0.00 O
712
+ ATOM 711 OD2 ASP A 89 -16.027 -13.867 27.690 1.00 0.00 O
713
+ ATOM 712 N GLU A 90 -14.046 -9.904 30.705 1.00 0.00 N
714
+ ATOM 713 CA GLU A 90 -13.863 -9.112 31.918 1.00 0.00 C
715
+ ATOM 714 C GLU A 90 -13.543 -7.658 31.585 1.00 0.00 C
716
+ ATOM 715 CB GLU A 90 -12.752 -9.710 32.787 1.00 0.00 C
717
+ ATOM 716 O GLU A 90 -14.022 -6.742 32.256 1.00 0.00 O
718
+ ATOM 717 CG GLU A 90 -13.118 -11.044 33.421 1.00 0.00 C
719
+ ATOM 718 CD GLU A 90 -12.762 -12.239 32.551 1.00 0.00 C
720
+ ATOM 719 OE1 GLU A 90 -12.652 -13.367 33.085 1.00 0.00 O
721
+ ATOM 720 OE2 GLU A 90 -12.588 -12.046 31.327 1.00 0.00 O
722
+ ATOM 721 N ALA A 91 -12.765 -7.463 30.582 1.00 0.00 N
723
+ ATOM 722 CA ALA A 91 -12.443 -6.109 30.138 1.00 0.00 C
724
+ ATOM 723 C ALA A 91 -13.704 -5.348 29.741 1.00 0.00 C
725
+ ATOM 724 CB ALA A 91 -11.462 -6.153 28.969 1.00 0.00 C
726
+ ATOM 725 O ALA A 91 -13.916 -4.214 30.178 1.00 0.00 O
727
+ ATOM 726 N ILE A 92 -14.494 -5.964 28.969 1.00 0.00 N
728
+ ATOM 727 CA ILE A 92 -15.733 -5.349 28.503 1.00 0.00 C
729
+ ATOM 728 C ILE A 92 -16.615 -4.997 29.699 1.00 0.00 C
730
+ ATOM 729 CB ILE A 92 -16.493 -6.278 27.531 1.00 0.00 C
731
+ ATOM 730 O ILE A 92 -17.171 -3.897 29.766 1.00 0.00 O
732
+ ATOM 731 CG1 ILE A 92 -15.751 -6.372 26.192 1.00 0.00 C
733
+ ATOM 732 CG2 ILE A 92 -17.929 -5.786 27.327 1.00 0.00 C
734
+ ATOM 733 CD1 ILE A 92 -16.237 -7.500 25.292 1.00 0.00 C
735
+ ATOM 734 N ALA A 93 -16.739 -5.897 30.621 1.00 0.00 N
736
+ ATOM 735 CA ALA A 93 -17.578 -5.667 31.794 1.00 0.00 C
737
+ ATOM 736 C ALA A 93 -17.099 -4.451 32.581 1.00 0.00 C
738
+ ATOM 737 CB ALA A 93 -17.590 -6.904 32.690 1.00 0.00 C
739
+ ATOM 738 O ALA A 93 -17.898 -3.580 32.935 1.00 0.00 O
740
+ ATOM 739 N ASN A 94 -15.851 -4.342 32.837 1.00 0.00 N
741
+ ATOM 740 CA ASN A 94 -15.319 -3.241 33.632 1.00 0.00 C
742
+ ATOM 741 C ASN A 94 -15.335 -1.927 32.855 1.00 0.00 C
743
+ ATOM 742 CB ASN A 94 -13.900 -3.559 34.107 1.00 0.00 C
744
+ ATOM 743 O ASN A 94 -15.605 -0.868 33.423 1.00 0.00 O
745
+ ATOM 744 CG ASN A 94 -13.880 -4.360 35.394 1.00 0.00 C
746
+ ATOM 745 ND2 ASN A 94 -13.412 -5.600 35.315 1.00 0.00 N
747
+ ATOM 746 OD1 ASN A 94 -14.283 -3.867 36.452 1.00 0.00 O
748
+ ATOM 747 N LEU A 95 -15.058 -1.941 31.608 1.00 0.00 N
749
+ ATOM 748 CA LEU A 95 -15.123 -0.737 30.786 1.00 0.00 C
750
+ ATOM 749 C LEU A 95 -16.556 -0.224 30.688 1.00 0.00 C
751
+ ATOM 750 CB LEU A 95 -14.570 -1.012 29.387 1.00 0.00 C
752
+ ATOM 751 O LEU A 95 -16.788 0.988 30.698 1.00 0.00 O
753
+ ATOM 752 CG LEU A 95 -13.060 -1.236 29.287 1.00 0.00 C
754
+ ATOM 753 CD1 LEU A 95 -12.697 -1.797 27.915 1.00 0.00 C
755
+ ATOM 754 CD2 LEU A 95 -12.307 0.062 29.555 1.00 0.00 C
756
+ ATOM 755 N GLN A 96 -17.438 -1.112 30.618 1.00 0.00 N
757
+ ATOM 756 CA GLN A 96 -18.843 -0.717 30.628 1.00 0.00 C
758
+ ATOM 757 C GLN A 96 -19.226 -0.079 31.960 1.00 0.00 C
759
+ ATOM 758 CB GLN A 96 -19.742 -1.923 30.347 1.00 0.00 C
760
+ ATOM 759 O GLN A 96 -19.974 0.901 31.993 1.00 0.00 O
761
+ ATOM 760 CG GLN A 96 -20.542 -1.806 29.057 1.00 0.00 C
762
+ ATOM 761 CD GLN A 96 -20.709 -3.137 28.348 1.00 0.00 C
763
+ ATOM 762 NE2 GLN A 96 -21.572 -3.167 27.338 1.00 0.00 N
764
+ ATOM 763 OE1 GLN A 96 -20.068 -4.131 28.704 1.00 0.00 O
765
+ ATOM 764 N ARG A 97 -18.800 -0.692 32.985 1.00 0.00 N
766
+ ATOM 765 CA ARG A 97 -19.052 -0.110 34.299 1.00 0.00 C
767
+ ATOM 766 C ARG A 97 -18.449 1.286 34.406 1.00 0.00 C
768
+ ATOM 767 CB ARG A 97 -18.488 -1.009 35.403 1.00 0.00 C
769
+ ATOM 768 O ARG A 97 -19.094 2.210 34.905 1.00 0.00 O
770
+ ATOM 769 CG ARG A 97 -18.763 -0.503 36.810 1.00 0.00 C
771
+ ATOM 770 CD ARG A 97 -20.255 -0.379 37.085 1.00 0.00 C
772
+ ATOM 771 NE ARG A 97 -20.519 -0.006 38.471 1.00 0.00 N
773
+ ATOM 772 NH1 ARG A 97 -22.586 0.931 38.042 1.00 0.00 N
774
+ ATOM 773 NH2 ARG A 97 -21.757 0.902 40.179 1.00 0.00 N
775
+ ATOM 774 CZ ARG A 97 -21.620 0.608 38.895 1.00 0.00 C
776
+ ATOM 775 N ALA A 98 -17.247 1.476 33.990 1.00 0.00 N
777
+ ATOM 776 CA ALA A 98 -16.601 2.786 33.968 1.00 0.00 C
778
+ ATOM 777 C ALA A 98 -17.432 3.795 33.180 1.00 0.00 C
779
+ ATOM 778 CB ALA A 98 -15.198 2.678 33.377 1.00 0.00 C
780
+ ATOM 779 O ALA A 98 -17.600 4.940 33.606 1.00 0.00 O
781
+ ATOM 780 N TYR A 99 -17.940 3.413 32.085 1.00 0.00 N
782
+ ATOM 781 CA TYR A 99 -18.752 4.275 31.232 1.00 0.00 C
783
+ ATOM 782 C TYR A 99 -20.019 4.719 31.954 1.00 0.00 C
784
+ ATOM 783 CB TYR A 99 -19.118 3.553 29.931 1.00 0.00 C
785
+ ATOM 784 O TYR A 99 -20.352 5.906 31.962 1.00 0.00 O
786
+ ATOM 785 CG TYR A 99 -19.896 4.409 28.961 1.00 0.00 C
787
+ ATOM 786 CD1 TYR A 99 -21.249 4.177 28.728 1.00 0.00 C
788
+ ATOM 787 CD2 TYR A 99 -19.278 5.450 28.276 1.00 0.00 C
789
+ ATOM 788 CE1 TYR A 99 -21.969 4.962 27.833 1.00 0.00 C
790
+ ATOM 789 CE2 TYR A 99 -19.988 6.241 27.379 1.00 0.00 C
791
+ ATOM 790 OH TYR A 99 -22.039 6.771 26.278 1.00 0.00 O
792
+ ATOM 791 CZ TYR A 99 -21.331 5.990 27.165 1.00 0.00 C
793
+ ATOM 792 N SER A 100 -20.668 3.798 32.508 1.00 0.00 N
794
+ ATOM 793 CA SER A 100 -21.904 4.089 33.227 1.00 0.00 C
795
+ ATOM 794 C SER A 100 -21.654 5.041 34.391 1.00 0.00 C
796
+ ATOM 795 CB SER A 100 -22.541 2.797 33.741 1.00 0.00 C
797
+ ATOM 796 O SER A 100 -22.393 6.011 34.576 1.00 0.00 O
798
+ ATOM 797 OG SER A 100 -22.932 1.965 32.662 1.00 0.00 O
799
+ ATOM 798 N LEU A 101 -20.636 4.751 35.141 1.00 0.00 N
800
+ ATOM 799 CA LEU A 101 -20.299 5.586 36.287 1.00 0.00 C
801
+ ATOM 800 C LEU A 101 -19.929 6.998 35.843 1.00 0.00 C
802
+ ATOM 801 CB LEU A 101 -19.142 4.968 37.078 1.00 0.00 C
803
+ ATOM 802 O LEU A 101 -20.292 7.975 36.501 1.00 0.00 O
804
+ ATOM 803 CG LEU A 101 -19.496 3.789 37.985 1.00 0.00 C
805
+ ATOM 804 CD1 LEU A 101 -18.227 3.095 38.470 1.00 0.00 C
806
+ ATOM 805 CD2 LEU A 101 -20.340 4.255 39.166 1.00 0.00 C
807
+ ATOM 806 N ALA A 102 -19.242 7.051 34.779 1.00 0.00 N
808
+ ATOM 807 CA ALA A 102 -18.862 8.363 34.261 1.00 0.00 C
809
+ ATOM 808 C ALA A 102 -20.094 9.196 33.920 1.00 0.00 C
810
+ ATOM 809 CB ALA A 102 -17.969 8.211 33.031 1.00 0.00 C
811
+ ATOM 810 O ALA A 102 -20.141 10.393 34.209 1.00 0.00 O
812
+ ATOM 811 N LYS A 103 -20.955 8.625 33.310 1.00 0.00 N
813
+ ATOM 812 CA LYS A 103 -22.210 9.289 32.972 1.00 0.00 C
814
+ ATOM 813 C LYS A 103 -22.968 9.708 34.230 1.00 0.00 C
815
+ ATOM 814 CB LYS A 103 -23.086 8.377 32.113 1.00 0.00 C
816
+ ATOM 815 O LYS A 103 -23.438 10.842 34.330 1.00 0.00 O
817
+ ATOM 816 CG LYS A 103 -24.011 9.122 31.162 1.00 0.00 C
818
+ ATOM 817 CD LYS A 103 -24.871 8.163 30.351 1.00 0.00 C
819
+ ATOM 818 CE LYS A 103 -25.949 8.901 29.569 1.00 0.00 C
820
+ ATOM 819 NZ LYS A 103 -26.797 7.963 28.774 1.00 0.00 N
821
+ ATOM 820 N GLU A 104 -23.090 8.797 35.132 1.00 0.00 N
822
+ ATOM 821 CA GLU A 104 -23.793 9.047 36.386 1.00 0.00 C
823
+ ATOM 822 C GLU A 104 -23.148 10.194 37.161 1.00 0.00 C
824
+ ATOM 823 CB GLU A 104 -23.825 7.783 37.248 1.00 0.00 C
825
+ ATOM 824 O GLU A 104 -23.847 11.018 37.755 1.00 0.00 O
826
+ ATOM 825 CG GLU A 104 -25.227 7.346 37.648 1.00 0.00 C
827
+ ATOM 826 CD GLU A 104 -25.243 6.090 38.504 1.00 0.00 C
828
+ ATOM 827 OE1 GLU A 104 -26.339 5.659 38.930 1.00 0.00 O
829
+ ATOM 828 OE2 GLU A 104 -24.151 5.532 38.751 1.00 0.00 O
830
+ ATOM 829 N GLN A 105 -21.898 10.232 37.129 1.00 0.00 N
831
+ ATOM 830 CA GLN A 105 -21.147 11.205 37.915 1.00 0.00 C
832
+ ATOM 831 C GLN A 105 -20.834 12.452 37.093 1.00 0.00 C
833
+ ATOM 832 CB GLN A 105 -19.851 10.584 38.441 1.00 0.00 C
834
+ ATOM 833 O GLN A 105 -20.087 13.324 37.540 1.00 0.00 O
835
+ ATOM 834 CG GLN A 105 -20.071 9.439 39.418 1.00 0.00 C
836
+ ATOM 835 CD GLN A 105 -18.773 8.835 39.918 1.00 0.00 C
837
+ ATOM 836 NE2 GLN A 105 -18.847 7.619 40.447 1.00 0.00 N
838
+ ATOM 837 OE1 GLN A 105 -17.709 9.457 39.829 1.00 0.00 O
839
+ ATOM 838 N ARG A 106 -21.336 12.492 35.945 1.00 0.00 N
840
+ ATOM 839 CA ARG A 106 -21.190 13.625 35.037 1.00 0.00 C
841
+ ATOM 840 C ARG A 106 -19.719 13.965 34.820 1.00 0.00 C
842
+ ATOM 841 CB ARG A 106 -21.936 14.847 35.577 1.00 0.00 C
843
+ ATOM 842 O ARG A 106 -19.332 15.134 34.882 1.00 0.00 O
844
+ ATOM 843 CG ARG A 106 -23.428 14.622 35.768 1.00 0.00 C
845
+ ATOM 844 CD ARG A 106 -24.139 15.896 36.203 1.00 0.00 C
846
+ ATOM 845 NE ARG A 106 -25.579 15.693 36.328 1.00 0.00 N
847
+ ATOM 846 NH1 ARG A 106 -26.036 17.859 36.989 1.00 0.00 N
848
+ ATOM 847 NH2 ARG A 106 -27.737 16.337 36.780 1.00 0.00 N
849
+ ATOM 848 CZ ARG A 106 -26.448 16.630 36.699 1.00 0.00 C
850
+ ATOM 849 N LEU A 107 -18.898 12.929 34.740 1.00 0.00 N
851
+ ATOM 850 CA LEU A 107 -17.485 13.080 34.408 1.00 0.00 C
852
+ ATOM 851 C LEU A 107 -17.265 12.961 32.904 1.00 0.00 C
853
+ ATOM 852 CB LEU A 107 -16.648 12.029 35.142 1.00 0.00 C
854
+ ATOM 853 O LEU A 107 -17.897 12.137 32.242 1.00 0.00 O
855
+ ATOM 854 CG LEU A 107 -16.646 12.110 36.669 1.00 0.00 C
856
+ ATOM 855 CD1 LEU A 107 -15.967 10.880 37.265 1.00 0.00 C
857
+ ATOM 856 CD2 LEU A 107 -15.957 13.386 37.137 1.00 0.00 C
858
+ ATOM 857 N ASN A 108 -16.344 13.794 32.484 1.00 0.00 N
859
+ ATOM 858 CA ASN A 108 -16.055 13.788 31.054 1.00 0.00 C
860
+ ATOM 859 C ASN A 108 -14.730 13.093 30.751 1.00 0.00 C
861
+ ATOM 860 CB ASN A 108 -16.044 15.215 30.502 1.00 0.00 C
862
+ ATOM 861 O ASN A 108 -13.665 13.589 31.125 1.00 0.00 O
863
+ ATOM 862 CG ASN A 108 -16.004 15.255 28.987 1.00 0.00 C
864
+ ATOM 863 ND2 ASN A 108 -15.830 16.447 28.429 1.00 0.00 N
865
+ ATOM 864 OD1 ASN A 108 -16.130 14.222 28.323 1.00 0.00 O
866
+ ATOM 865 N PHE A 109 -14.713 11.991 30.080 1.00 0.00 N
867
+ ATOM 866 CA PHE A 109 -13.533 11.239 29.670 1.00 0.00 C
868
+ ATOM 867 C PHE A 109 -13.416 11.202 28.151 1.00 0.00 C
869
+ ATOM 868 CB PHE A 109 -13.581 9.813 30.228 1.00 0.00 C
870
+ ATOM 869 O PHE A 109 -12.615 10.442 27.603 1.00 0.00 O
871
+ ATOM 870 CG PHE A 109 -13.149 9.710 31.666 1.00 0.00 C
872
+ ATOM 871 CD1 PHE A 109 -11.844 9.367 31.992 1.00 0.00 C
873
+ ATOM 872 CD2 PHE A 109 -14.052 9.957 32.693 1.00 0.00 C
874
+ ATOM 873 CE1 PHE A 109 -11.442 9.271 33.322 1.00 0.00 C
875
+ ATOM 874 CE2 PHE A 109 -13.658 9.861 34.025 1.00 0.00 C
876
+ ATOM 875 CZ PHE A 109 -12.353 9.517 34.337 1.00 0.00 C
877
+ ATOM 876 N GLY A 110 -14.162 12.050 27.459 1.00 0.00 N
878
+ ATOM 877 CA GLY A 110 -14.146 12.082 26.004 1.00 0.00 C
879
+ ATOM 878 C GLY A 110 -14.470 10.740 25.376 1.00 0.00 C
880
+ ATOM 879 O GLY A 110 -15.455 10.097 25.744 1.00 0.00 O
881
+ ATOM 880 N ASP A 111 -13.617 10.422 24.379 1.00 0.00 N
882
+ ATOM 881 CA ASP A 111 -13.865 9.178 23.655 1.00 0.00 C
883
+ ATOM 882 C ASP A 111 -12.991 8.047 24.192 1.00 0.00 C
884
+ ATOM 883 CB ASP A 111 -13.615 9.370 22.158 1.00 0.00 C
885
+ ATOM 884 O ASP A 111 -12.950 6.959 23.615 1.00 0.00 O
886
+ ATOM 885 CG ASP A 111 -14.207 8.257 21.311 1.00 0.00 C
887
+ ATOM 886 OD1 ASP A 111 -15.326 7.791 21.614 1.00 0.00 O
888
+ ATOM 887 OD2 ASP A 111 -13.549 7.843 20.332 1.00 0.00 O
889
+ ATOM 888 N ASP A 112 -12.386 8.273 25.270 1.00 0.00 N
890
+ ATOM 889 CA ASP A 112 -11.421 7.297 25.765 1.00 0.00 C
891
+ ATOM 890 C ASP A 112 -12.108 5.986 26.142 1.00 0.00 C
892
+ ATOM 891 CB ASP A 112 -10.659 7.856 26.968 1.00 0.00 C
893
+ ATOM 892 O ASP A 112 -11.719 4.916 25.669 1.00 0.00 O
894
+ ATOM 893 CG ASP A 112 -9.651 8.927 26.587 1.00 0.00 C
895
+ ATOM 894 OD1 ASP A 112 -9.316 9.049 25.390 1.00 0.00 O
896
+ ATOM 895 OD2 ASP A 112 -9.186 9.651 27.493 1.00 0.00 O
897
+ ATOM 896 N ILE A 113 -13.171 6.104 26.976 1.00 0.00 N
898
+ ATOM 897 CA ILE A 113 -13.841 4.907 27.473 1.00 0.00 C
899
+ ATOM 898 C ILE A 113 -14.610 4.238 26.335 1.00 0.00 C
900
+ ATOM 899 CB ILE A 113 -14.795 5.238 28.642 1.00 0.00 C
901
+ ATOM 900 O ILE A 113 -14.446 3.041 26.088 1.00 0.00 O
902
+ ATOM 901 CG1 ILE A 113 -14.000 5.747 29.851 1.00 0.00 C
903
+ ATOM 902 CG2 ILE A 113 -15.637 4.014 29.015 1.00 0.00 C
904
+ ATOM 903 CD1 ILE A 113 -14.868 6.149 31.036 1.00 0.00 C
905
+ ATOM 904 N PRO A 114 -15.343 4.953 25.550 1.00 0.00 N
906
+ ATOM 905 CA PRO A 114 -16.011 4.323 24.408 1.00 0.00 C
907
+ ATOM 906 C PRO A 114 -15.029 3.670 23.438 1.00 0.00 C
908
+ ATOM 907 CB PRO A 114 -16.745 5.489 23.741 1.00 0.00 C
909
+ ATOM 908 O PRO A 114 -15.299 2.584 22.918 1.00 0.00 O
910
+ ATOM 909 CG PRO A 114 -16.944 6.489 24.834 1.00 0.00 C
911
+ ATOM 910 CD PRO A 114 -15.782 6.399 25.781 1.00 0.00 C
912
+ ATOM 911 N SER A 115 -13.965 4.284 23.210 1.00 0.00 N
913
+ ATOM 912 CA SER A 115 -12.968 3.717 22.309 1.00 0.00 C
914
+ ATOM 913 C SER A 115 -12.410 2.407 22.856 1.00 0.00 C
915
+ ATOM 914 CB SER A 115 -11.828 4.709 22.077 1.00 0.00 C
916
+ ATOM 915 O SER A 115 -12.252 1.436 22.113 1.00 0.00 O
917
+ ATOM 916 OG SER A 115 -12.244 5.765 21.229 1.00 0.00 O
918
+ ATOM 917 N ALA A 116 -12.119 2.404 24.081 1.00 0.00 N
919
+ ATOM 918 CA ALA A 116 -11.616 1.183 24.705 1.00 0.00 C
920
+ ATOM 919 C ALA A 116 -12.645 0.059 24.620 1.00 0.00 C
921
+ ATOM 920 CB ALA A 116 -11.237 1.445 26.161 1.00 0.00 C
922
+ ATOM 921 O ALA A 116 -12.290 -1.101 24.399 1.00 0.00 O
923
+ ATOM 922 N LEU A 117 -13.889 0.429 24.799 1.00 0.00 N
924
+ ATOM 923 CA LEU A 117 -14.970 -0.545 24.697 1.00 0.00 C
925
+ ATOM 924 C LEU A 117 -15.036 -1.138 23.293 1.00 0.00 C
926
+ ATOM 925 CB LEU A 117 -16.311 0.103 25.052 1.00 0.00 C
927
+ ATOM 926 O LEU A 117 -15.162 -2.355 23.134 1.00 0.00 O
928
+ ATOM 927 CG LEU A 117 -17.194 -0.663 26.038 1.00 0.00 C
929
+ ATOM 928 CD1 LEU A 117 -17.374 0.139 27.323 1.00 0.00 C
930
+ ATOM 929 CD2 LEU A 117 -18.546 -0.983 25.409 1.00 0.00 C
931
+ ATOM 930 N ARG A 118 -14.945 -0.324 22.363 1.00 0.00 N
932
+ ATOM 931 CA ARG A 118 -14.976 -0.789 20.979 1.00 0.00 C
933
+ ATOM 932 C ARG A 118 -13.816 -1.737 20.694 1.00 0.00 C
934
+ ATOM 933 CB ARG A 118 -14.935 0.396 20.012 1.00 0.00 C
935
+ ATOM 934 O ARG A 118 -14.001 -2.781 20.066 1.00 0.00 O
936
+ ATOM 935 CG ARG A 118 -16.292 1.034 19.761 1.00 0.00 C
937
+ ATOM 936 CD ARG A 118 -16.223 2.094 18.671 1.00 0.00 C
938
+ ATOM 937 NE ARG A 118 -15.362 3.208 19.056 1.00 0.00 N
939
+ ATOM 938 NH1 ARG A 118 -16.995 4.824 18.814 1.00 0.00 N
940
+ ATOM 939 NH2 ARG A 118 -14.881 5.414 19.478 1.00 0.00 N
941
+ ATOM 940 CZ ARG A 118 -15.748 4.480 19.115 1.00 0.00 C
942
+ ATOM 941 N ILE A 119 -12.677 -1.413 21.079 1.00 0.00 N
943
+ ATOM 942 CA ILE A 119 -11.490 -2.233 20.867 1.00 0.00 C
944
+ ATOM 943 C ILE A 119 -11.665 -3.584 21.556 1.00 0.00 C
945
+ ATOM 944 CB ILE A 119 -10.216 -1.528 21.384 1.00 0.00 C
946
+ ATOM 945 O ILE A 119 -11.379 -4.629 20.968 1.00 0.00 O
947
+ ATOM 946 CG1 ILE A 119 -9.870 -0.328 20.495 1.00 0.00 C
948
+ ATOM 947 CG2 ILE A 119 -9.045 -2.513 21.455 1.00 0.00 C
949
+ ATOM 948 CD1 ILE A 119 -8.820 0.600 21.088 1.00 0.00 C
950
+ ATOM 949 N ALA A 120 -12.099 -3.525 22.777 1.00 0.00 N
951
+ ATOM 950 CA ALA A 120 -12.296 -4.759 23.534 1.00 0.00 C
952
+ ATOM 951 C ALA A 120 -13.280 -5.685 22.827 1.00 0.00 C
953
+ ATOM 952 CB ALA A 120 -12.786 -4.444 24.945 1.00 0.00 C
954
+ ATOM 953 O ALA A 120 -13.045 -6.892 22.726 1.00 0.00 O
955
+ ATOM 954 N LYS A 121 -14.310 -5.200 22.373 1.00 0.00 N
956
+ ATOM 955 CA LYS A 121 -15.316 -5.995 21.675 1.00 0.00 C
957
+ ATOM 956 C LYS A 121 -14.753 -6.587 20.386 1.00 0.00 C
958
+ ATOM 957 CB LYS A 121 -16.551 -5.148 21.366 1.00 0.00 C
959
+ ATOM 958 O LYS A 121 -14.997 -7.754 20.073 1.00 0.00 O
960
+ ATOM 959 CG LYS A 121 -17.399 -4.820 22.587 1.00 0.00 C
961
+ ATOM 960 CD LYS A 121 -18.596 -3.953 22.220 1.00 0.00 C
962
+ ATOM 961 CE LYS A 121 -19.470 -3.663 23.433 1.00 0.00 C
963
+ ATOM 962 NZ LYS A 121 -20.640 -2.805 23.081 1.00 0.00 N
964
+ ATOM 963 N LYS A 122 -14.062 -5.817 19.708 1.00 0.00 N
965
+ ATOM 964 CA LYS A 122 -13.448 -6.295 18.472 1.00 0.00 C
966
+ ATOM 965 C LYS A 122 -12.469 -7.431 18.747 1.00 0.00 C
967
+ ATOM 966 CB LYS A 122 -12.734 -5.151 17.751 1.00 0.00 C
968
+ ATOM 967 O LYS A 122 -12.475 -8.446 18.048 1.00 0.00 O
969
+ ATOM 968 CG LYS A 122 -12.108 -5.552 16.423 1.00 0.00 C
970
+ ATOM 969 CD LYS A 122 -11.418 -4.371 15.751 1.00 0.00 C
971
+ ATOM 970 CE LYS A 122 -10.669 -4.800 14.497 1.00 0.00 C
972
+ ATOM 971 NZ LYS A 122 -10.021 -3.640 13.815 1.00 0.00 N
973
+ ATOM 972 N LYS A 123 -11.659 -7.271 19.668 1.00 0.00 N
974
+ ATOM 973 CA LYS A 123 -10.680 -8.298 20.011 1.00 0.00 C
975
+ ATOM 974 C LYS A 123 -11.368 -9.578 20.482 1.00 0.00 C
976
+ ATOM 975 CB LYS A 123 -9.724 -7.792 21.091 1.00 0.00 C
977
+ ATOM 976 O LYS A 123 -10.924 -10.682 20.160 1.00 0.00 O
978
+ ATOM 977 CG LYS A 123 -8.705 -6.778 20.589 1.00 0.00 C
979
+ ATOM 978 CD LYS A 123 -7.541 -6.628 21.560 1.00 0.00 C
980
+ ATOM 979 CE LYS A 123 -6.428 -5.771 20.970 1.00 0.00 C
981
+ ATOM 980 NZ LYS A 123 -5.192 -5.818 21.808 1.00 0.00 N
982
+ ATOM 981 N ARG A 124 -12.347 -9.382 21.247 1.00 0.00 N
983
+ ATOM 982 CA ARG A 124 -13.127 -10.535 21.686 1.00 0.00 C
984
+ ATOM 983 C ARG A 124 -13.672 -11.314 20.494 1.00 0.00 C
985
+ ATOM 984 CB ARG A 124 -14.276 -10.092 22.594 1.00 0.00 C
986
+ ATOM 985 O ARG A 124 -13.581 -12.542 20.454 1.00 0.00 O
987
+ ATOM 986 CG ARG A 124 -15.045 -11.244 23.220 1.00 0.00 C
988
+ ATOM 987 CD ARG A 124 -16.336 -10.770 23.876 1.00 0.00 C
989
+ ATOM 988 NE ARG A 124 -17.088 -11.881 24.451 1.00 0.00 N
990
+ ATOM 989 NH1 ARG A 124 -18.705 -11.910 22.801 1.00 0.00 N
991
+ ATOM 990 NH2 ARG A 124 -18.800 -13.408 24.534 1.00 0.00 N
992
+ ATOM 991 CZ ARG A 124 -18.196 -12.398 23.928 1.00 0.00 C
993
+ ATOM 992 N TRP A 125 -14.210 -10.618 19.628 1.00 0.00 N
994
+ ATOM 993 CA TRP A 125 -14.752 -11.234 18.422 1.00 0.00 C
995
+ ATOM 994 C TRP A 125 -13.661 -11.962 17.644 1.00 0.00 C
996
+ ATOM 995 CB TRP A 125 -15.416 -10.181 17.531 1.00 0.00 C
997
+ ATOM 996 O TRP A 125 -13.840 -13.114 17.241 1.00 0.00 O
998
+ ATOM 997 CG TRP A 125 -16.010 -10.735 16.271 1.00 0.00 C
999
+ ATOM 998 CD1 TRP A 125 -17.259 -11.271 16.116 1.00 0.00 C
1000
+ ATOM 999 CD2 TRP A 125 -15.379 -10.811 14.989 1.00 0.00 C
1001
+ ATOM 1000 CE2 TRP A 125 -16.303 -11.405 14.103 1.00 0.00 C
1002
+ ATOM 1001 CE3 TRP A 125 -14.119 -10.433 14.505 1.00 0.00 C
1003
+ ATOM 1002 NE1 TRP A 125 -17.442 -11.676 14.814 1.00 0.00 N
1004
+ ATOM 1003 CH2 TRP A 125 -14.768 -11.251 12.308 1.00 0.00 C
1005
+ ATOM 1004 CZ2 TRP A 125 -16.007 -11.630 12.756 1.00 0.00 C
1006
+ ATOM 1005 CZ3 TRP A 125 -13.827 -10.658 13.165 1.00 0.00 C
1007
+ ATOM 1006 N ASN A 126 -12.582 -11.343 17.435 1.00 0.00 N
1008
+ ATOM 1007 CA ASN A 126 -11.467 -11.951 16.715 1.00 0.00 C
1009
+ ATOM 1008 C ASN A 126 -10.994 -13.232 17.395 1.00 0.00 C
1010
+ ATOM 1009 CB ASN A 126 -10.309 -10.959 16.584 1.00 0.00 C
1011
+ ATOM 1010 O ASN A 126 -10.669 -14.213 16.722 1.00 0.00 O
1012
+ ATOM 1011 CG ASN A 126 -10.619 -9.820 15.633 1.00 0.00 C
1013
+ ATOM 1012 ND2 ASN A 126 -9.791 -8.783 15.659 1.00 0.00 N
1014
+ ATOM 1013 OD1 ASN A 126 -11.596 -9.873 14.880 1.00 0.00 O
1015
+ ATOM 1014 N SER A 127 -10.953 -13.229 18.629 1.00 0.00 N
1016
+ ATOM 1015 CA SER A 127 -10.504 -14.396 19.381 1.00 0.00 C
1017
+ ATOM 1016 C SER A 127 -11.460 -15.571 19.200 1.00 0.00 C
1018
+ ATOM 1017 CB SER A 127 -10.373 -14.059 20.867 1.00 0.00 C
1019
+ ATOM 1018 O SER A 127 -11.029 -16.725 19.147 1.00 0.00 O
1020
+ ATOM 1019 OG SER A 127 -10.824 -15.137 21.669 1.00 0.00 O
1021
+ ATOM 1020 N ILE A 128 -12.766 -15.330 19.127 1.00 0.00 N
1022
+ ATOM 1021 CA ILE A 128 -13.782 -16.359 18.928 1.00 0.00 C
1023
+ ATOM 1022 C ILE A 128 -13.655 -16.943 17.523 1.00 0.00 C
1024
+ ATOM 1023 CB ILE A 128 -15.204 -15.798 19.150 1.00 0.00 C
1025
+ ATOM 1024 O ILE A 128 -13.715 -18.162 17.343 1.00 0.00 O
1026
+ ATOM 1025 CG1 ILE A 128 -15.421 -15.461 20.629 1.00 0.00 C
1027
+ ATOM 1026 CG2 ILE A 128 -16.259 -16.791 18.654 1.00 0.00 C
1028
+ ATOM 1027 CD1 ILE A 128 -16.687 -14.661 20.903 1.00 0.00 C
1029
+ ATOM 1028 N GLU A 129 -13.317 -16.064 16.651 1.00 0.00 N
1030
+ ATOM 1029 CA GLU A 129 -13.213 -16.480 15.255 1.00 0.00 C
1031
+ ATOM 1030 C GLU A 129 -11.956 -17.312 15.020 1.00 0.00 C
1032
+ ATOM 1031 CB GLU A 129 -13.220 -15.263 14.329 1.00 0.00 C
1033
+ ATOM 1032 O GLU A 129 -11.972 -18.264 14.236 1.00 0.00 O
1034
+ ATOM 1033 CG GLU A 129 -14.603 -14.669 14.103 1.00 0.00 C
1035
+ ATOM 1034 CD GLU A 129 -15.563 -15.628 13.419 1.00 0.00 C
1036
+ ATOM 1035 OE1 GLU A 129 -16.628 -15.940 13.999 1.00 0.00 O
1037
+ ATOM 1036 OE2 GLU A 129 -15.248 -16.073 12.291 1.00 0.00 O
1038
+ ATOM 1037 N GLU A 130 -10.968 -17.020 15.652 1.00 0.00 N
1039
+ ATOM 1038 CA GLU A 130 -9.716 -17.752 15.490 1.00 0.00 C
1040
+ ATOM 1039 C GLU A 130 -9.812 -19.151 16.094 1.00 0.00 C
1041
+ ATOM 1040 CB GLU A 130 -8.556 -16.983 16.129 1.00 0.00 C
1042
+ ATOM 1041 O GLU A 130 -9.096 -20.064 15.676 1.00 0.00 O
1043
+ ATOM 1042 CG GLU A 130 -8.103 -15.774 15.324 1.00 0.00 C
1044
+ ATOM 1043 CD GLU A 130 -7.017 -14.966 16.016 1.00 0.00 C
1045
+ ATOM 1044 OE1 GLU A 130 -6.514 -13.988 15.418 1.00 0.00 O
1046
+ ATOM 1045 OE2 GLU A 130 -6.666 -15.313 17.166 1.00 0.00 O
1047
+ ATOM 1046 N ARG A 131 -10.641 -19.428 16.997 1.00 0.00 N
1048
+ ATOM 1047 CA ARG A 131 -10.782 -20.715 17.669 1.00 0.00 C
1049
+ ATOM 1048 C ARG A 131 -11.761 -21.617 16.923 1.00 0.00 C
1050
+ ATOM 1049 CB ARG A 131 -11.246 -20.521 19.114 1.00 0.00 C
1051
+ ATOM 1050 O ARG A 131 -11.865 -22.809 17.220 1.00 0.00 O
1052
+ ATOM 1051 CG ARG A 131 -10.205 -19.871 20.012 1.00 0.00 C
1053
+ ATOM 1052 CD ARG A 131 -10.682 -19.779 21.455 1.00 0.00 C
1054
+ ATOM 1053 NE ARG A 131 -9.738 -19.041 22.289 1.00 0.00 N
1055
+ ATOM 1054 NH1 ARG A 131 -10.817 -19.505 24.279 1.00 0.00 N
1056
+ ATOM 1055 NH2 ARG A 131 -8.909 -18.234 24.273 1.00 0.00 N
1057
+ ATOM 1056 CZ ARG A 131 -9.823 -18.929 23.612 1.00 0.00 C
1058
+ ATOM 1057 N ARG A 132 -12.478 -21.092 15.937 1.00 0.00 N
1059
+ ATOM 1058 CA ARG A 132 -13.407 -21.883 15.138 1.00 0.00 C
1060
+ ATOM 1059 C ARG A 132 -12.697 -22.534 13.955 1.00 0.00 C
1061
+ ATOM 1060 CB ARG A 132 -14.565 -21.016 14.640 1.00 0.00 C
1062
+ ATOM 1061 O ARG A 132 -12.972 -23.685 13.614 1.00 0.00 O
1063
+ ATOM 1062 CG ARG A 132 -15.585 -20.676 15.715 1.00 0.00 C
1064
+ ATOM 1063 CD ARG A 132 -16.764 -19.897 15.147 1.00 0.00 C
1065
+ ATOM 1064 NE ARG A 132 -17.707 -19.508 16.193 1.00 0.00 N
1066
+ ATOM 1065 NH1 ARG A 132 -19.316 -18.718 14.735 1.00 0.00 N
1067
+ ATOM 1066 NH2 ARG A 132 -19.676 -18.642 16.998 1.00 0.00 N
1068
+ ATOM 1067 CZ ARG A 132 -18.897 -18.957 15.973 1.00 0.00 C
1069
+ ATOM 1068 OXT ARG A 132 -12.087 -21.512 13.822 1.00 0.00 O
1070
+ TER 1069 ARG A 132
1071
+ END
6efk/6efk_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1071 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N SER A 1 10.178 15.052 56.259 1.00 0.00 N
3
+ ATOM 2 CA SER A 1 9.716 14.065 55.288 1.00 0.00 C
4
+ ATOM 3 C SER A 1 8.429 14.520 54.609 1.00 0.00 C
5
+ ATOM 4 CB SER A 1 9.494 12.711 55.964 1.00 0.00 C
6
+ ATOM 5 O SER A 1 7.520 15.031 55.266 1.00 0.00 O
7
+ ATOM 6 OG SER A 1 8.954 11.775 55.048 1.00 0.00 O
8
+ ATOM 7 N PRO A 2 8.431 14.402 53.171 1.00 0.00 N
9
+ ATOM 8 CA PRO A 2 7.250 14.878 52.447 1.00 0.00 C
10
+ ATOM 9 C PRO A 2 5.972 14.153 52.861 1.00 0.00 C
11
+ ATOM 10 CB PRO A 2 7.593 14.587 50.984 1.00 0.00 C
12
+ ATOM 11 O PRO A 2 6.017 12.977 53.231 1.00 0.00 O
13
+ ATOM 12 CG PRO A 2 8.563 13.451 51.037 1.00 0.00 C
14
+ ATOM 13 CD PRO A 2 9.364 13.567 52.302 1.00 0.00 C
15
+ ATOM 14 N SER A 3 4.906 14.826 52.996 1.00 0.00 N
16
+ ATOM 15 CA SER A 3 3.576 14.280 53.248 1.00 0.00 C
17
+ ATOM 16 C SER A 3 3.109 13.406 52.089 1.00 0.00 C
18
+ ATOM 17 CB SER A 3 2.570 15.408 53.485 1.00 0.00 C
19
+ ATOM 18 O SER A 3 3.699 13.434 51.006 1.00 0.00 O
20
+ ATOM 19 OG SER A 3 2.300 16.102 52.279 1.00 0.00 O
21
+ ATOM 20 N ALA A 4 2.106 12.534 52.354 1.00 0.00 N
22
+ ATOM 21 CA ALA A 4 1.528 11.712 51.295 1.00 0.00 C
23
+ ATOM 22 C ALA A 4 1.064 12.572 50.124 1.00 0.00 C
24
+ ATOM 23 CB ALA A 4 0.365 10.885 51.838 1.00 0.00 C
25
+ ATOM 24 O ALA A 4 1.259 12.208 48.962 1.00 0.00 O
26
+ ATOM 25 N GLN A 5 0.448 13.750 50.372 1.00 0.00 N
27
+ ATOM 26 CA GLN A 5 -0.020 14.659 49.331 1.00 0.00 C
28
+ ATOM 27 C GLN A 5 1.149 15.234 48.535 1.00 0.00 C
29
+ ATOM 28 CB GLN A 5 -0.849 15.791 49.939 1.00 0.00 C
30
+ ATOM 29 O GLN A 5 1.072 15.359 47.312 1.00 0.00 O
31
+ ATOM 30 CG GLN A 5 -1.407 16.766 48.911 1.00 0.00 C
32
+ ATOM 31 CD GLN A 5 -2.330 16.097 47.909 1.00 0.00 C
33
+ ATOM 32 NE2 GLN A 5 -2.498 16.723 46.748 1.00 0.00 N
34
+ ATOM 33 OE1 GLN A 5 -2.886 15.027 48.175 1.00 0.00 O
35
+ ATOM 34 N GLU A 6 2.184 15.596 49.227 1.00 0.00 N
36
+ ATOM 35 CA GLU A 6 3.367 16.110 48.543 1.00 0.00 C
37
+ ATOM 36 C GLU A 6 3.992 15.042 47.649 1.00 0.00 C
38
+ ATOM 37 CB GLU A 6 4.396 16.617 49.556 1.00 0.00 C
39
+ ATOM 38 O GLU A 6 4.447 15.340 46.542 1.00 0.00 O
40
+ ATOM 39 CG GLU A 6 4.011 17.932 50.218 1.00 0.00 C
41
+ ATOM 40 CD GLU A 6 4.883 18.280 51.414 1.00 0.00 C
42
+ ATOM 41 OE1 GLU A 6 5.487 17.361 52.012 1.00 0.00 O
43
+ ATOM 42 OE2 GLU A 6 4.962 19.481 51.756 1.00 0.00 O
44
+ ATOM 43 N LEU A 7 4.095 13.783 48.164 1.00 0.00 N
45
+ ATOM 44 CA LEU A 7 4.610 12.664 47.381 1.00 0.00 C
46
+ ATOM 45 C LEU A 7 3.744 12.420 46.149 1.00 0.00 C
47
+ ATOM 46 CB LEU A 7 4.673 11.395 48.235 1.00 0.00 C
48
+ ATOM 47 O LEU A 7 4.264 12.145 45.066 1.00 0.00 O
49
+ ATOM 48 CG LEU A 7 5.763 11.354 49.308 1.00 0.00 C
50
+ ATOM 49 CD1 LEU A 7 5.483 10.233 50.304 1.00 0.00 C
51
+ ATOM 50 CD2 LEU A 7 7.136 11.178 48.669 1.00 0.00 C
52
+ ATOM 51 N LYS A 8 2.414 12.538 46.306 1.00 0.00 N
53
+ ATOM 52 CA LYS A 8 1.508 12.404 45.169 1.00 0.00 C
54
+ ATOM 53 C LYS A 8 1.784 13.476 44.118 1.00 0.00 C
55
+ ATOM 54 CB LYS A 8 0.053 12.486 45.630 1.00 0.00 C
56
+ ATOM 55 O LYS A 8 1.857 13.177 42.923 1.00 0.00 O
57
+ ATOM 56 CG LYS A 8 -0.962 12.331 44.506 1.00 0.00 C
58
+ ATOM 57 CD LYS A 8 -2.318 12.908 44.895 1.00 0.00 C
59
+ ATOM 58 CE LYS A 8 -2.303 14.430 44.881 1.00 0.00 C
60
+ ATOM 59 NZ LYS A 8 -3.680 14.999 44.991 1.00 0.00 N
61
+ ATOM 60 N GLU A 9 1.954 14.698 44.496 1.00 0.00 N
62
+ ATOM 61 CA GLU A 9 2.213 15.792 43.565 1.00 0.00 C
63
+ ATOM 62 C GLU A 9 3.545 15.601 42.845 1.00 0.00 C
64
+ ATOM 63 CB GLU A 9 2.199 17.137 44.297 1.00 0.00 C
65
+ ATOM 64 O GLU A 9 3.655 15.878 41.649 1.00 0.00 O
66
+ ATOM 65 CG GLU A 9 0.816 17.572 44.759 1.00 0.00 C
67
+ ATOM 66 CD GLU A 9 0.846 18.763 45.703 1.00 0.00 C
68
+ ATOM 67 OE1 GLU A 9 1.943 19.312 45.953 1.00 0.00 O
69
+ ATOM 68 OE2 GLU A 9 -0.237 19.150 46.197 1.00 0.00 O
70
+ ATOM 69 N GLN A 10 4.548 15.208 43.624 1.00 0.00 N
71
+ ATOM 70 CA GLN A 10 5.818 14.877 42.987 1.00 0.00 C
72
+ ATOM 71 C GLN A 10 5.642 13.772 41.950 1.00 0.00 C
73
+ ATOM 72 CB GLN A 10 6.850 14.454 44.033 1.00 0.00 C
74
+ ATOM 73 O GLN A 10 6.179 13.861 40.843 1.00 0.00 O
75
+ ATOM 74 CG GLN A 10 8.242 14.215 43.463 1.00 0.00 C
76
+ ATOM 75 CD GLN A 10 9.275 13.932 44.538 1.00 0.00 C
77
+ ATOM 76 NE2 GLN A 10 10.524 13.745 44.124 1.00 0.00 N
78
+ ATOM 77 OE1 GLN A 10 8.953 13.881 45.729 1.00 0.00 O
79
+ ATOM 78 N GLY A 11 4.968 12.683 42.315 1.00 0.00 N
80
+ ATOM 79 CA GLY A 11 4.660 11.625 41.366 1.00 0.00 C
81
+ ATOM 80 C GLY A 11 3.964 12.129 40.116 1.00 0.00 C
82
+ ATOM 81 O GLY A 11 4.272 11.689 39.007 1.00 0.00 O
83
+ ATOM 82 N ASN A 12 3.013 13.048 40.266 1.00 0.00 N
84
+ ATOM 83 CA ASN A 12 2.287 13.613 39.133 1.00 0.00 C
85
+ ATOM 84 C ASN A 12 3.222 14.356 38.183 1.00 0.00 C
86
+ ATOM 85 CB ASN A 12 1.174 14.544 39.620 1.00 0.00 C
87
+ ATOM 86 O ASN A 12 3.091 14.240 36.963 1.00 0.00 O
88
+ ATOM 87 CG ASN A 12 0.030 13.795 40.273 1.00 0.00 C
89
+ ATOM 88 ND2 ASN A 12 -0.861 14.528 40.930 1.00 0.00 N
90
+ ATOM 89 OD1 ASN A 12 -0.053 12.566 40.188 1.00 0.00 O
91
+ ATOM 90 N ARG A 13 4.110 15.133 38.724 1.00 0.00 N
92
+ ATOM 91 CA ARG A 13 5.070 15.842 37.885 1.00 0.00 C
93
+ ATOM 92 C ARG A 13 5.950 14.865 37.113 1.00 0.00 C
94
+ ATOM 93 CB ARG A 13 5.942 16.774 38.732 1.00 0.00 C
95
+ ATOM 94 O ARG A 13 6.209 15.060 35.923 1.00 0.00 O
96
+ ATOM 95 CG ARG A 13 5.197 17.979 39.284 1.00 0.00 C
97
+ ATOM 96 CD ARG A 13 6.154 19.048 39.793 1.00 0.00 C
98
+ ATOM 97 NE ARG A 13 6.949 18.568 40.920 1.00 0.00 N
99
+ ATOM 98 NH1 ARG A 13 5.441 19.243 42.535 1.00 0.00 N
100
+ ATOM 99 NH2 ARG A 13 7.390 18.201 43.143 1.00 0.00 N
101
+ ATOM 100 CZ ARG A 13 6.591 18.671 42.198 1.00 0.00 C
102
+ ATOM 101 N LEU A 14 6.391 13.809 37.772 1.00 0.00 N
103
+ ATOM 102 CA LEU A 14 7.226 12.796 37.135 1.00 0.00 C
104
+ ATOM 103 C LEU A 14 6.446 12.049 36.058 1.00 0.00 C
105
+ ATOM 104 CB LEU A 14 7.756 11.806 38.176 1.00 0.00 C
106
+ ATOM 105 O LEU A 14 6.998 11.713 35.007 1.00 0.00 O
107
+ ATOM 106 CG LEU A 14 8.819 12.339 39.139 1.00 0.00 C
108
+ ATOM 107 CD1 LEU A 14 9.015 11.371 40.300 1.00 0.00 C
109
+ ATOM 108 CD2 LEU A 14 10.134 12.579 38.406 1.00 0.00 C
110
+ ATOM 109 N PHE A 15 5.154 11.820 36.320 1.00 0.00 N
111
+ ATOM 110 CA PHE A 15 4.315 11.127 35.348 1.00 0.00 C
112
+ ATOM 111 C PHE A 15 4.193 11.937 34.063 1.00 0.00 C
113
+ ATOM 112 CB PHE A 15 2.925 10.857 35.932 1.00 0.00 C
114
+ ATOM 113 O PHE A 15 4.312 11.389 32.965 1.00 0.00 O
115
+ ATOM 114 CG PHE A 15 2.041 10.030 35.038 1.00 0.00 C
116
+ ATOM 115 CD1 PHE A 15 2.043 8.643 35.126 1.00 0.00 C
117
+ ATOM 116 CD2 PHE A 15 1.208 10.640 34.109 1.00 0.00 C
118
+ ATOM 117 CE1 PHE A 15 1.227 7.874 34.300 1.00 0.00 C
119
+ ATOM 118 CE2 PHE A 15 0.389 9.878 33.280 1.00 0.00 C
120
+ ATOM 119 CZ PHE A 15 0.400 8.495 33.376 1.00 0.00 C
121
+ ATOM 120 N VAL A 16 3.887 13.208 34.180 1.00 0.00 N
122
+ ATOM 121 CA VAL A 16 3.775 14.088 33.021 1.00 0.00 C
123
+ ATOM 122 C VAL A 16 5.092 14.094 32.248 1.00 0.00 C
124
+ ATOM 123 CB VAL A 16 3.393 15.526 33.436 1.00 0.00 C
125
+ ATOM 124 O VAL A 16 5.097 14.159 31.017 1.00 0.00 O
126
+ ATOM 125 CG1 VAL A 16 3.539 16.485 32.255 1.00 0.00 C
127
+ ATOM 126 CG2 VAL A 16 1.967 15.561 33.983 1.00 0.00 C
128
+ ATOM 127 N GLY A 17 6.211 13.943 32.991 1.00 0.00 N
129
+ ATOM 128 CA GLY A 17 7.522 13.888 32.362 1.00 0.00 C
130
+ ATOM 129 C GLY A 17 7.862 12.516 31.812 1.00 0.00 C
131
+ ATOM 130 O GLY A 17 8.999 12.271 31.403 1.00 0.00 O
132
+ ATOM 131 N ARG A 18 6.972 11.557 31.851 1.00 0.00 N
133
+ ATOM 132 CA ARG A 18 7.062 10.195 31.335 1.00 0.00 C
134
+ ATOM 133 C ARG A 18 8.122 9.394 32.084 1.00 0.00 C
135
+ ATOM 134 CB ARG A 18 7.376 10.205 29.838 1.00 0.00 C
136
+ ATOM 135 O ARG A 18 8.694 8.448 31.540 1.00 0.00 O
137
+ ATOM 136 CG ARG A 18 6.308 10.879 28.990 1.00 0.00 C
138
+ ATOM 137 CD ARG A 18 6.610 10.758 27.503 1.00 0.00 C
139
+ ATOM 138 NE ARG A 18 5.560 11.365 26.688 1.00 0.00 N
140
+ ATOM 139 NH1 ARG A 18 6.461 10.706 24.666 1.00 0.00 N
141
+ ATOM 140 NH2 ARG A 18 4.512 11.912 24.720 1.00 0.00 N
142
+ ATOM 141 CZ ARG A 18 5.514 11.327 25.360 1.00 0.00 C
143
+ ATOM 142 N LYS A 19 8.444 9.880 33.257 1.00 0.00 N
144
+ ATOM 143 CA LYS A 19 9.285 9.116 34.173 1.00 0.00 C
145
+ ATOM 144 C LYS A 19 8.445 8.190 35.047 1.00 0.00 C
146
+ ATOM 145 CB LYS A 19 10.115 10.054 35.050 1.00 0.00 C
147
+ ATOM 146 O LYS A 19 8.289 8.431 36.246 1.00 0.00 O
148
+ ATOM 147 CG LYS A 19 11.072 10.945 34.272 1.00 0.00 C
149
+ ATOM 148 CD LYS A 19 11.904 11.818 35.202 1.00 0.00 C
150
+ ATOM 149 CE LYS A 19 12.902 12.668 34.427 1.00 0.00 C
151
+ ATOM 150 NZ LYS A 19 13.736 13.509 35.336 1.00 0.00 N
152
+ ATOM 151 N TYR A 20 7.902 7.136 34.437 1.00 0.00 N
153
+ ATOM 152 CA TYR A 20 6.859 6.303 35.023 1.00 0.00 C
154
+ ATOM 153 C TYR A 20 7.399 5.502 36.202 1.00 0.00 C
155
+ ATOM 154 CB TYR A 20 6.273 5.354 33.973 1.00 0.00 C
156
+ ATOM 155 O TYR A 20 6.748 5.407 37.246 1.00 0.00 O
157
+ ATOM 156 CG TYR A 20 5.680 6.062 32.779 1.00 0.00 C
158
+ ATOM 157 CD1 TYR A 20 4.701 7.039 32.941 1.00 0.00 C
159
+ ATOM 158 CD2 TYR A 20 6.094 5.754 31.488 1.00 0.00 C
160
+ ATOM 159 CE1 TYR A 20 4.149 7.694 31.844 1.00 0.00 C
161
+ ATOM 160 CE2 TYR A 20 5.551 6.401 30.384 1.00 0.00 C
162
+ ATOM 161 OH TYR A 20 4.037 8.012 29.482 1.00 0.00 O
163
+ ATOM 162 CZ TYR A 20 4.580 7.368 30.571 1.00 0.00 C
164
+ ATOM 163 N PRO A 21 8.669 4.899 36.144 1.00 0.00 N
165
+ ATOM 164 CA PRO A 21 9.156 4.174 37.320 1.00 0.00 C
166
+ ATOM 165 C PRO A 21 9.332 5.078 38.538 1.00 0.00 C
167
+ ATOM 166 CB PRO A 21 10.502 3.613 36.856 1.00 0.00 C
168
+ ATOM 167 O PRO A 21 8.968 4.696 39.653 1.00 0.00 O
169
+ ATOM 168 CG PRO A 21 10.376 3.495 35.371 1.00 0.00 C
170
+ ATOM 169 CD PRO A 21 9.543 4.640 34.871 1.00 0.00 C
171
+ ATOM 170 N GLU A 22 9.873 6.238 38.315 1.00 0.00 N
172
+ ATOM 171 CA GLU A 22 10.061 7.185 39.410 1.00 0.00 C
173
+ ATOM 172 C GLU A 22 8.722 7.664 39.962 1.00 0.00 C
174
+ ATOM 173 CB GLU A 22 10.897 8.381 38.948 1.00 0.00 C
175
+ ATOM 174 O GLU A 22 8.559 7.808 41.175 1.00 0.00 O
176
+ ATOM 175 CG GLU A 22 12.331 8.024 38.582 1.00 0.00 C
177
+ ATOM 176 CD GLU A 22 12.497 7.630 37.124 1.00 0.00 C
178
+ ATOM 177 OE1 GLU A 22 11.492 7.259 36.477 1.00 0.00 O
179
+ ATOM 178 OE2 GLU A 22 13.643 7.689 36.624 1.00 0.00 O
180
+ ATOM 179 N ALA A 23 7.788 7.923 39.073 1.00 0.00 N
181
+ ATOM 180 CA ALA A 23 6.449 8.311 39.508 1.00 0.00 C
182
+ ATOM 181 C ALA A 23 5.811 7.218 40.363 1.00 0.00 C
183
+ ATOM 182 CB ALA A 23 5.566 8.621 38.302 1.00 0.00 C
184
+ ATOM 183 O ALA A 23 5.241 7.500 41.419 1.00 0.00 O
185
+ ATOM 184 N ALA A 24 5.918 5.928 39.960 1.00 0.00 N
186
+ ATOM 185 CA ALA A 24 5.370 4.797 40.705 1.00 0.00 C
187
+ ATOM 186 C ALA A 24 5.982 4.712 42.101 1.00 0.00 C
188
+ ATOM 187 CB ALA A 24 5.605 3.495 39.944 1.00 0.00 C
189
+ ATOM 188 O ALA A 24 5.289 4.397 43.070 1.00 0.00 O
190
+ ATOM 189 N ALA A 25 7.250 5.014 42.181 1.00 0.00 N
191
+ ATOM 190 CA ALA A 25 7.924 4.992 43.476 1.00 0.00 C
192
+ ATOM 191 C ALA A 25 7.364 6.068 44.403 1.00 0.00 C
193
+ ATOM 192 CB ALA A 25 9.428 5.177 43.298 1.00 0.00 C
194
+ ATOM 193 O ALA A 25 7.119 5.811 45.585 1.00 0.00 O
195
+ ATOM 194 N CYS A 26 7.136 7.260 43.873 1.00 0.00 N
196
+ ATOM 195 CA CYS A 26 6.563 8.338 44.671 1.00 0.00 C
197
+ ATOM 196 C CYS A 26 5.167 7.973 45.160 1.00 0.00 C
198
+ ATOM 197 CB CYS A 26 6.506 9.633 43.860 1.00 0.00 C
199
+ ATOM 198 O CYS A 26 4.839 8.182 46.329 1.00 0.00 O
200
+ ATOM 199 SG CYS A 26 8.110 10.441 43.666 1.00 0.00 S
201
+ ATOM 200 N TYR A 27 4.297 7.414 44.264 1.00 0.00 N
202
+ ATOM 201 CA TYR A 27 2.960 6.979 44.654 1.00 0.00 C
203
+ ATOM 202 C TYR A 27 3.030 5.866 45.693 1.00 0.00 C
204
+ ATOM 203 CB TYR A 27 2.173 6.501 43.429 1.00 0.00 C
205
+ ATOM 204 O TYR A 27 2.219 5.823 46.621 1.00 0.00 O
206
+ ATOM 205 CG TYR A 27 1.838 7.604 42.455 1.00 0.00 C
207
+ ATOM 206 CD1 TYR A 27 1.267 8.797 42.893 1.00 0.00 C
208
+ ATOM 207 CD2 TYR A 27 2.089 7.455 41.096 1.00 0.00 C
209
+ ATOM 208 CE1 TYR A 27 0.954 9.816 41.998 1.00 0.00 C
210
+ ATOM 209 CE2 TYR A 27 1.781 8.467 40.193 1.00 0.00 C
211
+ ATOM 210 OH TYR A 27 0.908 10.647 39.762 1.00 0.00 O
212
+ ATOM 211 CZ TYR A 27 1.215 9.642 40.653 1.00 0.00 C
213
+ ATOM 212 N GLY A 28 4.036 4.915 45.559 1.00 0.00 N
214
+ ATOM 213 CA GLY A 28 4.252 3.885 46.562 1.00 0.00 C
215
+ ATOM 214 C GLY A 28 4.540 4.447 47.942 1.00 0.00 C
216
+ ATOM 215 O GLY A 28 4.012 3.953 48.942 1.00 0.00 O
217
+ ATOM 216 N ARG A 29 5.375 5.493 47.944 1.00 0.00 N
218
+ ATOM 217 CA ARG A 29 5.687 6.136 49.217 1.00 0.00 C
219
+ ATOM 218 C ARG A 29 4.462 6.843 49.787 1.00 0.00 C
220
+ ATOM 219 CB ARG A 29 6.836 7.133 49.049 1.00 0.00 C
221
+ ATOM 220 O ARG A 29 4.234 6.821 50.998 1.00 0.00 O
222
+ ATOM 221 CG ARG A 29 8.178 6.480 48.754 1.00 0.00 C
223
+ ATOM 222 CD ARG A 29 9.245 7.513 48.420 1.00 0.00 C
224
+ ATOM 223 NE ARG A 29 9.545 8.368 49.564 1.00 0.00 N
225
+ ATOM 224 NH1 ARG A 29 10.453 10.082 48.310 1.00 0.00 N
226
+ ATOM 225 NH2 ARG A 29 10.338 10.263 50.592 1.00 0.00 N
227
+ ATOM 226 CZ ARG A 29 10.112 9.569 49.486 1.00 0.00 C
228
+ ATOM 227 N ALA A 30 3.680 7.466 48.959 1.00 0.00 N
229
+ ATOM 228 CA ALA A 30 2.427 8.076 49.394 1.00 0.00 C
230
+ ATOM 229 C ALA A 30 1.490 7.034 49.999 1.00 0.00 C
231
+ ATOM 230 CB ALA A 30 1.745 8.782 48.224 1.00 0.00 C
232
+ ATOM 231 O ALA A 30 0.856 7.284 51.027 1.00 0.00 O
233
+ ATOM 232 N ILE A 31 1.390 5.863 49.426 1.00 0.00 N
234
+ ATOM 233 CA ILE A 31 0.558 4.756 49.885 1.00 0.00 C
235
+ ATOM 234 C ILE A 31 1.043 4.277 51.252 1.00 0.00 C
236
+ ATOM 235 CB ILE A 31 0.565 3.586 48.875 1.00 0.00 C
237
+ ATOM 236 O ILE A 31 0.234 4.003 52.143 1.00 0.00 O
238
+ ATOM 237 CG1 ILE A 31 -0.235 3.958 47.622 1.00 0.00 C
239
+ ATOM 238 CG2 ILE A 31 0.013 2.312 49.520 1.00 0.00 C
240
+ ATOM 239 CD1 ILE A 31 0.015 3.041 46.432 1.00 0.00 C
241
+ ATOM 240 N THR A 32 2.344 4.219 51.428 1.00 0.00 N
242
+ ATOM 241 CA THR A 32 2.901 3.825 52.718 1.00 0.00 C
243
+ ATOM 242 C THR A 32 2.480 4.804 53.811 1.00 0.00 C
244
+ ATOM 243 CB THR A 32 4.438 3.745 52.661 1.00 0.00 C
245
+ ATOM 244 O THR A 32 2.157 4.395 54.927 1.00 0.00 O
246
+ ATOM 245 CG2 THR A 32 5.018 3.363 54.019 1.00 0.00 C
247
+ ATOM 246 OG1 THR A 32 4.823 2.758 51.695 1.00 0.00 O
248
+ ATOM 247 N ARG A 33 2.375 6.038 53.522 1.00 0.00 N
249
+ ATOM 248 CA ARG A 33 2.025 7.060 54.503 1.00 0.00 C
250
+ ATOM 249 C ARG A 33 0.522 7.080 54.760 1.00 0.00 C
251
+ ATOM 250 CB ARG A 33 2.495 8.439 54.035 1.00 0.00 C
252
+ ATOM 251 O ARG A 33 0.082 7.318 55.887 1.00 0.00 O
253
+ ATOM 252 CG ARG A 33 4.005 8.614 54.057 1.00 0.00 C
254
+ ATOM 253 CD ARG A 33 4.405 10.078 53.937 1.00 0.00 C
255
+ ATOM 254 NE ARG A 33 5.854 10.250 54.007 1.00 0.00 N
256
+ ATOM 255 NH1 ARG A 33 5.849 12.396 53.151 1.00 0.00 N
257
+ ATOM 256 NH2 ARG A 33 7.825 11.395 53.738 1.00 0.00 N
258
+ ATOM 257 CZ ARG A 33 6.506 11.347 53.632 1.00 0.00 C
259
+ ATOM 258 N ASN A 34 -0.181 6.959 53.670 1.00 0.00 N
260
+ ATOM 259 CA ASN A 34 -1.639 6.974 53.747 1.00 0.00 C
261
+ ATOM 260 C ASN A 34 -2.261 5.971 52.780 1.00 0.00 C
262
+ ATOM 261 CB ASN A 34 -2.175 8.380 53.471 1.00 0.00 C
263
+ ATOM 262 O ASN A 34 -2.580 6.315 51.641 1.00 0.00 O
264
+ ATOM 263 CG ASN A 34 -3.665 8.497 53.730 1.00 0.00 C
265
+ ATOM 264 ND2 ASN A 34 -4.192 9.711 53.623 1.00 0.00 N
266
+ ATOM 265 OD1 ASN A 34 -4.336 7.505 54.024 1.00 0.00 O
267
+ ATOM 266 N PRO A 35 -2.449 4.755 53.237 1.00 0.00 N
268
+ ATOM 267 CA PRO A 35 -2.864 3.690 52.321 1.00 0.00 C
269
+ ATOM 268 C PRO A 35 -4.357 3.738 52.000 1.00 0.00 C
270
+ ATOM 269 CB PRO A 35 -2.511 2.411 53.083 1.00 0.00 C
271
+ ATOM 270 O PRO A 35 -4.857 2.898 51.248 1.00 0.00 O
272
+ ATOM 271 CG PRO A 35 -2.449 2.826 54.518 1.00 0.00 C
273
+ ATOM 272 CD PRO A 35 -1.952 4.242 54.584 1.00 0.00 C
274
+ ATOM 273 N LEU A 36 -5.162 4.701 52.558 1.00 0.00 N
275
+ ATOM 274 CA LEU A 36 -6.615 4.671 52.439 1.00 0.00 C
276
+ ATOM 275 C LEU A 36 -7.090 5.615 51.339 1.00 0.00 C
277
+ ATOM 276 CB LEU A 36 -7.270 5.050 53.770 1.00 0.00 C
278
+ ATOM 277 O LEU A 36 -8.284 5.904 51.235 1.00 0.00 O
279
+ ATOM 278 CG LEU A 36 -7.045 4.085 54.935 1.00 0.00 C
280
+ ATOM 279 CD1 LEU A 36 -7.762 4.586 56.185 1.00 0.00 C
281
+ ATOM 280 CD2 LEU A 36 -7.520 2.683 54.567 1.00 0.00 C
282
+ ATOM 281 N VAL A 37 -6.200 6.046 50.508 1.00 0.00 N
283
+ ATOM 282 CA VAL A 37 -6.551 6.968 49.434 1.00 0.00 C
284
+ ATOM 283 C VAL A 37 -6.482 6.246 48.090 1.00 0.00 C
285
+ ATOM 284 CB VAL A 37 -5.625 8.206 49.422 1.00 0.00 C
286
+ ATOM 285 O VAL A 37 -5.394 5.919 47.609 1.00 0.00 O
287
+ ATOM 286 CG1 VAL A 37 -5.999 9.150 48.282 1.00 0.00 C
288
+ ATOM 287 CG2 VAL A 37 -5.690 8.931 50.765 1.00 0.00 C
289
+ ATOM 288 N ALA A 38 -7.582 6.041 47.444 1.00 0.00 N
290
+ ATOM 289 CA ALA A 38 -7.709 5.252 46.221 1.00 0.00 C
291
+ ATOM 290 C ALA A 38 -6.909 5.875 45.081 1.00 0.00 C
292
+ ATOM 291 CB ALA A 38 -9.177 5.118 45.826 1.00 0.00 C
293
+ ATOM 292 O ALA A 38 -6.318 5.162 44.267 1.00 0.00 O
294
+ ATOM 293 N VAL A 39 -6.797 7.182 44.991 1.00 0.00 N
295
+ ATOM 294 CA VAL A 39 -6.183 7.866 43.858 1.00 0.00 C
296
+ ATOM 295 C VAL A 39 -4.693 7.533 43.799 1.00 0.00 C
297
+ ATOM 296 CB VAL A 39 -6.384 9.396 43.940 1.00 0.00 C
298
+ ATOM 297 O VAL A 39 -4.101 7.496 42.718 1.00 0.00 O
299
+ ATOM 298 CG1 VAL A 39 -5.627 9.976 45.134 1.00 0.00 C
300
+ ATOM 299 CG2 VAL A 39 -5.934 10.063 42.642 1.00 0.00 C
301
+ ATOM 300 N TYR A 40 -4.066 7.221 44.959 1.00 0.00 N
302
+ ATOM 301 CA TYR A 40 -2.659 6.836 44.934 1.00 0.00 C
303
+ ATOM 302 C TYR A 40 -2.460 5.544 44.149 1.00 0.00 C
304
+ ATOM 303 CB TYR A 40 -2.122 6.668 46.359 1.00 0.00 C
305
+ ATOM 304 O TYR A 40 -1.515 5.425 43.367 1.00 0.00 O
306
+ ATOM 305 CG TYR A 40 -2.178 7.933 47.181 1.00 0.00 C
307
+ ATOM 306 CD1 TYR A 40 -2.280 9.180 46.570 1.00 0.00 C
308
+ ATOM 307 CD2 TYR A 40 -2.130 7.882 48.570 1.00 0.00 C
309
+ ATOM 308 CE1 TYR A 40 -2.331 10.349 47.324 1.00 0.00 C
310
+ ATOM 309 CE2 TYR A 40 -2.181 9.044 49.334 1.00 0.00 C
311
+ ATOM 310 OH TYR A 40 -2.331 11.423 49.454 1.00 0.00 O
312
+ ATOM 311 CZ TYR A 40 -2.281 10.270 48.703 1.00 0.00 C
313
+ ATOM 312 N TYR A 41 -3.389 4.613 44.354 1.00 0.00 N
314
+ ATOM 313 CA TYR A 41 -3.329 3.316 43.688 1.00 0.00 C
315
+ ATOM 314 C TYR A 41 -3.651 3.448 42.205 1.00 0.00 C
316
+ ATOM 315 CB TYR A 41 -4.298 2.329 44.347 1.00 0.00 C
317
+ ATOM 316 O TYR A 41 -2.964 2.869 41.360 1.00 0.00 O
318
+ ATOM 317 CG TYR A 41 -3.909 1.945 45.754 1.00 0.00 C
319
+ ATOM 318 CD1 TYR A 41 -3.042 0.881 45.992 1.00 0.00 C
320
+ ATOM 319 CD2 TYR A 41 -4.410 2.643 46.848 1.00 0.00 C
321
+ ATOM 320 CE1 TYR A 41 -2.683 0.522 47.288 1.00 0.00 C
322
+ ATOM 321 CE2 TYR A 41 -4.058 2.293 48.147 1.00 0.00 C
323
+ ATOM 322 OH TYR A 41 -2.842 0.882 49.640 1.00 0.00 O
324
+ ATOM 323 CZ TYR A 41 -3.195 1.233 48.357 1.00 0.00 C
325
+ ATOM 324 N THR A 42 -4.650 4.268 41.831 1.00 0.00 N
326
+ ATOM 325 CA THR A 42 -4.982 4.411 40.417 1.00 0.00 C
327
+ ATOM 326 C THR A 42 -3.846 5.095 39.661 1.00 0.00 C
328
+ ATOM 327 CB THR A 42 -6.284 5.210 40.226 1.00 0.00 C
329
+ ATOM 328 O THR A 42 -3.520 4.709 38.537 1.00 0.00 O
330
+ ATOM 329 CG2 THR A 42 -7.491 4.425 40.731 1.00 0.00 C
331
+ ATOM 330 OG1 THR A 42 -6.192 6.442 40.953 1.00 0.00 O
332
+ ATOM 331 N ASN A 43 -3.203 6.108 40.295 1.00 0.00 N
333
+ ATOM 332 CA ASN A 43 -2.074 6.766 39.647 1.00 0.00 C
334
+ ATOM 333 C ASN A 43 -0.900 5.809 39.458 1.00 0.00 C
335
+ ATOM 334 CB ASN A 43 -1.636 7.994 40.447 1.00 0.00 C
336
+ ATOM 335 O ASN A 43 -0.258 5.807 38.407 1.00 0.00 O
337
+ ATOM 336 CG ASN A 43 -2.611 9.148 40.327 1.00 0.00 C
338
+ ATOM 337 ND2 ASN A 43 -2.369 10.211 41.085 1.00 0.00 N
339
+ ATOM 338 OD1 ASN A 43 -3.575 9.084 39.560 1.00 0.00 O
340
+ ATOM 339 N ARG A 44 -0.673 4.946 40.443 1.00 0.00 N
341
+ ATOM 340 CA ARG A 44 0.420 3.990 40.299 1.00 0.00 C
342
+ ATOM 341 C ARG A 44 0.060 2.891 39.305 1.00 0.00 C
343
+ ATOM 342 CB ARG A 44 0.776 3.374 41.654 1.00 0.00 C
344
+ ATOM 343 O ARG A 44 0.914 2.432 38.544 1.00 0.00 O
345
+ ATOM 344 CG ARG A 44 2.098 2.622 41.661 1.00 0.00 C
346
+ ATOM 345 CD ARG A 44 2.550 2.287 43.075 1.00 0.00 C
347
+ ATOM 346 NE ARG A 44 1.687 1.286 43.695 1.00 0.00 N
348
+ ATOM 347 NH1 ARG A 44 2.910 1.138 45.649 1.00 0.00 N
349
+ ATOM 348 NH2 ARG A 44 1.030 -0.141 45.369 1.00 0.00 N
350
+ ATOM 349 CZ ARG A 44 1.878 0.763 44.903 1.00 0.00 C
351
+ ATOM 350 N ALA A 45 -1.200 2.528 39.245 1.00 0.00 N
352
+ ATOM 351 CA ALA A 45 -1.684 1.599 38.227 1.00 0.00 C
353
+ ATOM 352 C ALA A 45 -1.426 2.139 36.823 1.00 0.00 C
354
+ ATOM 353 CB ALA A 45 -3.172 1.323 38.423 1.00 0.00 C
355
+ ATOM 354 O ALA A 45 -1.023 1.392 35.929 1.00 0.00 O
356
+ ATOM 355 N LEU A 46 -1.710 3.442 36.641 1.00 0.00 N
357
+ ATOM 356 CA LEU A 46 -1.463 4.059 35.343 1.00 0.00 C
358
+ ATOM 357 C LEU A 46 0.016 3.991 34.982 1.00 0.00 C
359
+ ATOM 358 CB LEU A 46 -1.934 5.515 35.343 1.00 0.00 C
360
+ ATOM 359 O LEU A 46 0.368 3.705 33.834 1.00 0.00 O
361
+ ATOM 360 CG LEU A 46 -1.768 6.282 34.030 1.00 0.00 C
362
+ ATOM 361 CD1 LEU A 46 -2.415 5.514 32.883 1.00 0.00 C
363
+ ATOM 362 CD2 LEU A 46 -2.365 7.681 34.148 1.00 0.00 C
364
+ ATOM 363 N CYS A 47 0.932 4.179 35.940 1.00 0.00 N
365
+ ATOM 364 CA CYS A 47 2.359 4.014 35.684 1.00 0.00 C
366
+ ATOM 365 C CYS A 47 2.675 2.586 35.257 1.00 0.00 C
367
+ ATOM 366 CB CYS A 47 3.171 4.377 36.926 1.00 0.00 C
368
+ ATOM 367 O CYS A 47 3.419 2.371 34.299 1.00 0.00 O
369
+ ATOM 368 SG CYS A 47 3.123 6.134 37.342 1.00 0.00 S
370
+ ATOM 369 N TYR A 48 2.067 1.641 35.928 1.00 0.00 N
371
+ ATOM 370 CA TYR A 48 2.302 0.236 35.616 1.00 0.00 C
372
+ ATOM 371 C TYR A 48 1.771 -0.111 34.230 1.00 0.00 C
373
+ ATOM 372 CB TYR A 48 1.645 -0.665 36.667 1.00 0.00 C
374
+ ATOM 373 O TYR A 48 2.396 -0.879 33.494 1.00 0.00 O
375
+ ATOM 374 CG TYR A 48 2.349 -0.655 38.001 1.00 0.00 C
376
+ ATOM 375 CD1 TYR A 48 3.740 -0.640 38.076 1.00 0.00 C
377
+ ATOM 376 CD2 TYR A 48 1.626 -0.660 39.189 1.00 0.00 C
378
+ ATOM 377 CE1 TYR A 48 4.394 -0.632 39.304 1.00 0.00 C
379
+ ATOM 378 CE2 TYR A 48 2.269 -0.652 40.423 1.00 0.00 C
380
+ ATOM 379 OH TYR A 48 4.292 -0.630 41.688 1.00 0.00 O
381
+ ATOM 380 CZ TYR A 48 3.651 -0.638 40.470 1.00 0.00 C
382
+ ATOM 381 N LEU A 49 0.632 0.470 33.844 1.00 0.00 N
383
+ ATOM 382 CA LEU A 49 0.099 0.247 32.505 1.00 0.00 C
384
+ ATOM 383 C LEU A 49 1.052 0.790 31.444 1.00 0.00 C
385
+ ATOM 384 CB LEU A 49 -1.275 0.905 32.357 1.00 0.00 C
386
+ ATOM 385 O LEU A 49 1.306 0.127 30.435 1.00 0.00 O
387
+ ATOM 386 CG LEU A 49 -2.457 0.152 32.969 1.00 0.00 C
388
+ ATOM 387 CD1 LEU A 49 -3.698 1.038 32.988 1.00 0.00 C
389
+ ATOM 388 CD2 LEU A 49 -2.726 -1.137 32.200 1.00 0.00 C
390
+ ATOM 389 N LYS A 50 1.608 1.956 31.700 1.00 0.00 N
391
+ ATOM 390 CA LYS A 50 2.552 2.544 30.752 1.00 0.00 C
392
+ ATOM 391 C LYS A 50 3.832 1.719 30.666 1.00 0.00 C
393
+ ATOM 392 CB LYS A 50 2.883 3.984 31.149 1.00 0.00 C
394
+ ATOM 393 O LYS A 50 4.486 1.685 29.622 1.00 0.00 O
395
+ ATOM 394 CG LYS A 50 1.706 4.942 31.040 1.00 0.00 C
396
+ ATOM 395 CD LYS A 50 1.246 5.100 29.596 1.00 0.00 C
397
+ ATOM 396 CE LYS A 50 0.113 6.110 29.476 1.00 0.00 C
398
+ ATOM 397 NZ LYS A 50 -0.484 6.114 28.107 1.00 0.00 N
399
+ ATOM 398 N MET A 51 4.114 0.962 31.725 1.00 0.00 N
400
+ ATOM 399 CA MET A 51 5.324 0.146 31.769 1.00 0.00 C
401
+ ATOM 400 C MET A 51 5.019 -1.300 31.394 1.00 0.00 C
402
+ ATOM 401 CB MET A 51 5.961 0.204 33.159 1.00 0.00 C
403
+ ATOM 402 O MET A 51 5.880 -2.173 31.519 1.00 0.00 O
404
+ ATOM 403 CG MET A 51 6.493 1.578 33.533 1.00 0.00 C
405
+ ATOM 404 SD MET A 51 7.305 1.593 35.178 1.00 0.00 S
406
+ ATOM 405 CE MET A 51 5.859 1.369 36.251 1.00 0.00 C
407
+ ATOM 406 N GLN A 52 3.762 -1.545 31.021 1.00 0.00 N
408
+ ATOM 407 CA GLN A 52 3.313 -2.865 30.591 1.00 0.00 C
409
+ ATOM 408 C GLN A 52 3.427 -3.881 31.722 1.00 0.00 C
410
+ ATOM 409 CB GLN A 52 4.115 -3.337 29.377 1.00 0.00 C
411
+ ATOM 410 O GLN A 52 3.700 -5.060 31.481 1.00 0.00 O
412
+ ATOM 411 CG GLN A 52 3.936 -2.463 28.143 1.00 0.00 C
413
+ ATOM 412 CD GLN A 52 4.592 -3.050 26.908 1.00 0.00 C
414
+ ATOM 413 NE2 GLN A 52 4.592 -2.291 25.818 1.00 0.00 N
415
+ ATOM 414 OE1 GLN A 52 5.097 -4.178 26.934 1.00 0.00 O
416
+ ATOM 415 N GLN A 53 3.304 -3.484 32.894 1.00 0.00 N
417
+ ATOM 416 CA GLN A 53 3.246 -4.338 34.077 1.00 0.00 C
418
+ ATOM 417 C GLN A 53 1.806 -4.552 34.531 1.00 0.00 C
419
+ ATOM 418 CB GLN A 53 4.071 -3.735 35.215 1.00 0.00 C
420
+ ATOM 419 O GLN A 53 1.371 -3.975 35.530 1.00 0.00 O
421
+ ATOM 420 CG GLN A 53 5.554 -3.600 34.895 1.00 0.00 C
422
+ ATOM 421 CD GLN A 53 6.332 -2.913 36.001 1.00 0.00 C
423
+ ATOM 422 NE2 GLN A 53 7.654 -3.044 35.965 1.00 0.00 N
424
+ ATOM 423 OE1 GLN A 53 5.751 -2.270 36.881 1.00 0.00 O
425
+ ATOM 424 N HIS A 54 1.086 -5.410 33.844 1.00 0.00 N
426
+ ATOM 425 CA HIS A 54 -0.366 -5.528 33.926 1.00 0.00 C
427
+ ATOM 426 C HIS A 54 -0.792 -6.174 35.239 1.00 0.00 C
428
+ ATOM 427 CB HIS A 54 -0.906 -6.336 32.744 1.00 0.00 C
429
+ ATOM 428 O HIS A 54 -1.835 -5.826 35.798 1.00 0.00 O
430
+ ATOM 429 CG HIS A 54 -0.601 -5.726 31.413 1.00 0.00 C
431
+ ATOM 430 CD2 HIS A 54 0.077 -6.212 30.347 1.00 0.00 C
432
+ ATOM 431 ND1 HIS A 54 -1.011 -4.458 31.063 1.00 0.00 N
433
+ ATOM 432 CE1 HIS A 54 -0.598 -4.191 29.836 1.00 0.00 C
434
+ ATOM 433 NE2 HIS A 54 0.065 -5.239 29.378 1.00 0.00 N
435
+ ATOM 434 N GLU A 55 0.001 -7.075 35.775 1.00 0.00 N
436
+ ATOM 435 CA GLU A 55 -0.361 -7.714 37.037 1.00 0.00 C
437
+ ATOM 436 C GLU A 55 -0.344 -6.711 38.187 1.00 0.00 C
438
+ ATOM 437 CB GLU A 55 0.584 -8.880 37.340 1.00 0.00 C
439
+ ATOM 438 O GLU A 55 -1.246 -6.706 39.026 1.00 0.00 O
440
+ ATOM 439 CG GLU A 55 0.410 -10.071 36.410 1.00 0.00 C
441
+ ATOM 440 CD GLU A 55 1.325 -11.237 36.750 1.00 0.00 C
442
+ ATOM 441 OE1 GLU A 55 2.135 -11.116 37.697 1.00 0.00 O
443
+ ATOM 442 OE2 GLU A 55 1.231 -12.278 36.064 1.00 0.00 O
444
+ ATOM 443 N GLN A 56 0.679 -5.900 38.192 1.00 0.00 N
445
+ ATOM 444 CA GLN A 56 0.769 -4.878 39.228 1.00 0.00 C
446
+ ATOM 445 C GLN A 56 -0.350 -3.849 39.084 1.00 0.00 C
447
+ ATOM 446 CB GLN A 56 2.130 -4.183 39.182 1.00 0.00 C
448
+ ATOM 447 O GLN A 56 -0.932 -3.413 40.079 1.00 0.00 O
449
+ ATOM 448 CG GLN A 56 3.296 -5.090 39.551 1.00 0.00 C
450
+ ATOM 449 CD GLN A 56 3.920 -5.765 38.343 1.00 0.00 C
451
+ ATOM 450 NE2 GLN A 56 5.246 -5.752 38.276 1.00 0.00 N
452
+ ATOM 451 OE1 GLN A 56 3.215 -6.294 37.478 1.00 0.00 O
453
+ ATOM 452 N ALA A 57 -0.581 -3.481 37.838 1.00 0.00 N
454
+ ATOM 453 CA ALA A 57 -1.675 -2.545 37.590 1.00 0.00 C
455
+ ATOM 454 C ALA A 57 -3.009 -3.127 38.047 1.00 0.00 C
456
+ ATOM 455 CB ALA A 57 -1.737 -2.179 36.108 1.00 0.00 C
457
+ ATOM 456 O ALA A 57 -3.825 -2.427 38.651 1.00 0.00 O
458
+ ATOM 457 N LEU A 58 -3.216 -4.423 37.794 1.00 0.00 N
459
+ ATOM 458 CA LEU A 58 -4.431 -5.114 38.213 1.00 0.00 C
460
+ ATOM 459 C LEU A 58 -4.577 -5.082 39.730 1.00 0.00 C
461
+ ATOM 460 CB LEU A 58 -4.420 -6.563 37.720 1.00 0.00 C
462
+ ATOM 461 O LEU A 58 -5.660 -4.799 40.247 1.00 0.00 O
463
+ ATOM 462 CG LEU A 58 -5.695 -7.372 37.965 1.00 0.00 C
464
+ ATOM 463 CD1 LEU A 58 -6.821 -6.870 37.068 1.00 0.00 C
465
+ ATOM 464 CD2 LEU A 58 -5.439 -8.857 37.730 1.00 0.00 C
466
+ ATOM 465 N ALA A 59 -3.519 -5.366 40.434 1.00 0.00 N
467
+ ATOM 466 CA ALA A 59 -3.541 -5.358 41.895 1.00 0.00 C
468
+ ATOM 467 C ALA A 59 -3.899 -3.975 42.431 1.00 0.00 C
469
+ ATOM 468 CB ALA A 59 -2.190 -5.808 42.449 1.00 0.00 C
470
+ ATOM 469 O ALA A 59 -4.720 -3.849 43.343 1.00 0.00 O
471
+ ATOM 470 N ASP A 60 -3.338 -2.907 41.852 1.00 0.00 N
472
+ ATOM 471 CA ASP A 60 -3.618 -1.543 42.290 1.00 0.00 C
473
+ ATOM 472 C ASP A 60 -5.065 -1.157 41.992 1.00 0.00 C
474
+ ATOM 473 CB ASP A 60 -2.662 -0.556 41.617 1.00 0.00 C
475
+ ATOM 474 O ASP A 60 -5.724 -0.515 42.813 1.00 0.00 O
476
+ ATOM 475 CG ASP A 60 -1.308 -0.482 42.302 1.00 0.00 C
477
+ ATOM 476 OD1 ASP A 60 -1.149 -1.056 43.401 1.00 0.00 O
478
+ ATOM 477 OD2 ASP A 60 -0.395 0.160 41.740 1.00 0.00 O
479
+ ATOM 478 N CYS A 61 -5.587 -1.593 40.847 1.00 0.00 N
480
+ ATOM 479 CA CYS A 61 -6.973 -1.286 40.509 1.00 0.00 C
481
+ ATOM 480 C CYS A 61 -7.934 -1.966 41.477 1.00 0.00 C
482
+ ATOM 481 CB CYS A 61 -7.284 -1.722 39.077 1.00 0.00 C
483
+ ATOM 482 O CYS A 61 -8.922 -1.364 41.902 1.00 0.00 O
484
+ ATOM 483 SG CYS A 61 -6.431 -0.748 37.818 1.00 0.00 S
485
+ ATOM 484 N ARG A 62 -7.647 -3.161 41.848 1.00 0.00 N
486
+ ATOM 485 CA ARG A 62 -8.489 -3.884 42.796 1.00 0.00 C
487
+ ATOM 486 C ARG A 62 -8.460 -3.222 44.169 1.00 0.00 C
488
+ ATOM 487 CB ARG A 62 -8.044 -5.343 42.908 1.00 0.00 C
489
+ ATOM 488 O ARG A 62 -9.501 -3.070 44.813 1.00 0.00 O
490
+ ATOM 489 CG ARG A 62 -8.359 -6.180 41.678 1.00 0.00 C
491
+ ATOM 490 CD ARG A 62 -7.945 -7.633 41.864 1.00 0.00 C
492
+ ATOM 491 NE ARG A 62 -8.321 -8.451 40.714 1.00 0.00 N
493
+ ATOM 492 NH1 ARG A 62 -7.138 -10.316 41.393 1.00 0.00 N
494
+ ATOM 493 NH2 ARG A 62 -8.331 -10.359 39.435 1.00 0.00 N
495
+ ATOM 494 CZ ARG A 62 -7.930 -9.707 40.517 1.00 0.00 C
496
+ ATOM 495 N ARG A 63 -7.277 -2.863 44.541 1.00 0.00 N
497
+ ATOM 496 CA ARG A 63 -7.175 -2.169 45.821 1.00 0.00 C
498
+ ATOM 497 C ARG A 63 -7.919 -0.839 45.784 1.00 0.00 C
499
+ ATOM 498 CB ARG A 63 -5.708 -1.940 46.192 1.00 0.00 C
500
+ ATOM 499 O ARG A 63 -8.620 -0.487 46.735 1.00 0.00 O
501
+ ATOM 500 CG ARG A 63 -5.510 -1.323 47.568 1.00 0.00 C
502
+ ATOM 501 CD ARG A 63 -6.107 -2.193 48.666 1.00 0.00 C
503
+ ATOM 502 NE ARG A 63 -5.882 -1.618 49.990 1.00 0.00 N
504
+ ATOM 503 NH1 ARG A 63 -7.716 -2.629 50.967 1.00 0.00 N
505
+ ATOM 504 NH2 ARG A 63 -6.355 -1.265 52.209 1.00 0.00 N
506
+ ATOM 505 CZ ARG A 63 -6.652 -1.838 51.052 1.00 0.00 C
507
+ ATOM 506 N ALA A 64 -7.730 -0.083 44.747 1.00 0.00 N
508
+ ATOM 507 CA ALA A 64 -8.439 1.183 44.581 1.00 0.00 C
509
+ ATOM 508 C ALA A 64 -9.949 0.979 44.655 1.00 0.00 C
510
+ ATOM 509 CB ALA A 64 -8.058 1.835 43.254 1.00 0.00 C
511
+ ATOM 510 O ALA A 64 -10.660 1.780 45.269 1.00 0.00 O
512
+ ATOM 511 N LEU A 65 -10.463 -0.104 44.065 1.00 0.00 N
513
+ ATOM 512 CA LEU A 65 -11.900 -0.358 44.045 1.00 0.00 C
514
+ ATOM 513 C LEU A 65 -12.388 -0.834 45.409 1.00 0.00 C
515
+ ATOM 514 CB LEU A 65 -12.246 -1.397 42.975 1.00 0.00 C
516
+ ATOM 515 O LEU A 65 -13.553 -0.639 45.760 1.00 0.00 O
517
+ ATOM 516 CG LEU A 65 -12.107 -0.944 41.521 1.00 0.00 C
518
+ ATOM 517 CD1 LEU A 65 -12.346 -2.117 40.575 1.00 0.00 C
519
+ ATOM 518 CD2 LEU A 65 -13.074 0.196 41.221 1.00 0.00 C
520
+ ATOM 519 N GLU A 66 -11.579 -1.456 46.176 1.00 0.00 N
521
+ ATOM 520 CA GLU A 66 -11.930 -1.775 47.557 1.00 0.00 C
522
+ ATOM 521 C GLU A 66 -12.130 -0.506 48.381 1.00 0.00 C
523
+ ATOM 522 CB GLU A 66 -10.852 -2.653 48.197 1.00 0.00 C
524
+ ATOM 523 O GLU A 66 -13.032 -0.439 49.219 1.00 0.00 O
525
+ ATOM 524 CG GLU A 66 -10.818 -4.076 47.658 1.00 0.00 C
526
+ ATOM 525 CD GLU A 66 -9.655 -4.893 48.194 1.00 0.00 C
527
+ ATOM 526 OE1 GLU A 66 -8.933 -4.406 49.094 1.00 0.00 O
528
+ ATOM 527 OE2 GLU A 66 -9.461 -6.032 47.711 1.00 0.00 O
529
+ ATOM 528 N LEU A 67 -11.374 0.470 48.088 1.00 0.00 N
530
+ ATOM 529 CA LEU A 67 -11.429 1.726 48.827 1.00 0.00 C
531
+ ATOM 530 C LEU A 67 -12.550 2.617 48.301 1.00 0.00 C
532
+ ATOM 531 CB LEU A 67 -10.091 2.462 48.735 1.00 0.00 C
533
+ ATOM 532 O LEU A 67 -13.201 3.324 49.072 1.00 0.00 O
534
+ ATOM 533 CG LEU A 67 -8.896 1.782 49.405 1.00 0.00 C
535
+ ATOM 534 CD1 LEU A 67 -7.606 2.516 49.059 1.00 0.00 C
536
+ ATOM 535 CD2 LEU A 67 -9.093 1.721 50.916 1.00 0.00 C
537
+ ATOM 536 N ASP A 68 -12.640 2.571 46.990 1.00 0.00 N
538
+ ATOM 537 CA ASP A 68 -13.643 3.375 46.301 1.00 0.00 C
539
+ ATOM 538 C ASP A 68 -14.249 2.611 45.126 1.00 0.00 C
540
+ ATOM 539 CB ASP A 68 -13.033 4.691 45.812 1.00 0.00 C
541
+ ATOM 540 O ASP A 68 -13.707 2.629 44.020 1.00 0.00 O
542
+ ATOM 541 CG ASP A 68 -14.027 5.567 45.070 1.00 0.00 C
543
+ ATOM 542 OD1 ASP A 68 -15.245 5.289 45.124 1.00 0.00 O
544
+ ATOM 543 OD2 ASP A 68 -13.590 6.542 44.423 1.00 0.00 O
545
+ ATOM 544 N GLY A 69 -15.357 1.941 45.461 1.00 0.00 N
546
+ ATOM 545 CA GLY A 69 -16.016 1.138 44.443 1.00 0.00 C
547
+ ATOM 546 C GLY A 69 -16.607 1.968 43.319 1.00 0.00 C
548
+ ATOM 547 O GLY A 69 -17.053 1.422 42.307 1.00 0.00 O
549
+ ATOM 548 N GLN A 70 -16.624 3.312 43.423 1.00 0.00 N
550
+ ATOM 549 CA GLN A 70 -17.225 4.176 42.414 1.00 0.00 C
551
+ ATOM 550 C GLN A 70 -16.155 4.917 41.616 1.00 0.00 C
552
+ ATOM 551 CB GLN A 70 -18.182 5.177 43.063 1.00 0.00 C
553
+ ATOM 552 O GLN A 70 -16.455 5.884 40.912 1.00 0.00 O
554
+ ATOM 553 CG GLN A 70 -19.361 4.528 43.774 1.00 0.00 C
555
+ ATOM 554 CD GLN A 70 -20.342 3.881 42.813 1.00 0.00 C
556
+ ATOM 555 NE2 GLN A 70 -20.710 2.636 43.092 1.00 0.00 N
557
+ ATOM 556 OE1 GLN A 70 -20.766 4.497 41.830 1.00 0.00 O
558
+ ATOM 557 N SER A 71 -14.908 4.459 41.764 1.00 0.00 N
559
+ ATOM 558 CA SER A 71 -13.813 5.082 41.027 1.00 0.00 C
560
+ ATOM 559 C SER A 71 -13.881 4.740 39.542 1.00 0.00 C
561
+ ATOM 560 CB SER A 71 -12.464 4.644 41.598 1.00 0.00 C
562
+ ATOM 561 O SER A 71 -13.609 3.604 39.148 1.00 0.00 O
563
+ ATOM 562 OG SER A 71 -11.398 5.158 40.819 1.00 0.00 O
564
+ ATOM 563 N VAL A 72 -14.207 5.751 38.704 1.00 0.00 N
565
+ ATOM 564 CA VAL A 72 -14.281 5.586 37.256 1.00 0.00 C
566
+ ATOM 565 C VAL A 72 -12.914 5.178 36.712 1.00 0.00 C
567
+ ATOM 566 CB VAL A 72 -14.764 6.880 36.562 1.00 0.00 C
568
+ ATOM 567 O VAL A 72 -12.808 4.229 35.931 1.00 0.00 O
569
+ ATOM 568 CG1 VAL A 72 -14.727 6.725 35.043 1.00 0.00 C
570
+ ATOM 569 CG2 VAL A 72 -16.173 7.241 37.031 1.00 0.00 C
571
+ ATOM 570 N LYS A 73 -11.890 5.788 37.172 1.00 0.00 N
572
+ ATOM 571 CA LYS A 73 -10.545 5.509 36.678 1.00 0.00 C
573
+ ATOM 572 C LYS A 73 -10.117 4.085 37.021 1.00 0.00 C
574
+ ATOM 573 CB LYS A 73 -9.544 6.510 37.256 1.00 0.00 C
575
+ ATOM 574 O LYS A 73 -9.510 3.398 36.196 1.00 0.00 O
576
+ ATOM 575 CG LYS A 73 -9.629 7.898 36.639 1.00 0.00 C
577
+ ATOM 576 CD LYS A 73 -8.530 8.812 37.163 1.00 0.00 C
578
+ ATOM 577 CE LYS A 73 -8.610 10.199 36.539 1.00 0.00 C
579
+ ATOM 578 NZ LYS A 73 -7.575 11.120 37.100 1.00 0.00 N
580
+ ATOM 579 N ALA A 74 -10.415 3.642 38.235 1.00 0.00 N
581
+ ATOM 580 CA ALA A 74 -10.027 2.288 38.621 1.00 0.00 C
582
+ ATOM 581 C ALA A 74 -10.717 1.249 37.743 1.00 0.00 C
583
+ ATOM 582 CB ALA A 74 -10.354 2.040 40.092 1.00 0.00 C
584
+ ATOM 583 O ALA A 74 -10.081 0.299 37.279 1.00 0.00 O
585
+ ATOM 584 N HIS A 75 -12.022 1.475 37.491 1.00 0.00 N
586
+ ATOM 585 CA HIS A 75 -12.729 0.563 36.598 1.00 0.00 C
587
+ ATOM 586 C HIS A 75 -12.149 0.612 35.189 1.00 0.00 C
588
+ ATOM 587 CB HIS A 75 -14.221 0.895 36.563 1.00 0.00 C
589
+ ATOM 588 O HIS A 75 -11.962 -0.428 34.553 1.00 0.00 O
590
+ ATOM 589 CG HIS A 75 -14.983 0.358 37.732 1.00 0.00 C
591
+ ATOM 590 CD2 HIS A 75 -15.599 0.989 38.759 1.00 0.00 C
592
+ ATOM 591 ND1 HIS A 75 -15.174 -0.991 37.940 1.00 0.00 N
593
+ ATOM 592 CE1 HIS A 75 -15.878 -1.166 39.046 1.00 0.00 C
594
+ ATOM 593 NE2 HIS A 75 -16.148 0.021 39.562 1.00 0.00 N
595
+ ATOM 594 N PHE A 76 -11.885 1.769 34.712 1.00 0.00 N
596
+ ATOM 595 CA PHE A 76 -11.342 1.936 33.369 1.00 0.00 C
597
+ ATOM 596 C PHE A 76 -9.989 1.246 33.244 1.00 0.00 C
598
+ ATOM 597 CB PHE A 76 -11.207 3.422 33.023 1.00 0.00 C
599
+ ATOM 598 O PHE A 76 -9.765 0.472 32.311 1.00 0.00 O
600
+ ATOM 599 CG PHE A 76 -10.596 3.678 31.673 1.00 0.00 C
601
+ ATOM 600 CD1 PHE A 76 -11.222 3.232 30.515 1.00 0.00 C
602
+ ATOM 601 CD2 PHE A 76 -9.394 4.363 31.560 1.00 0.00 C
603
+ ATOM 602 CE1 PHE A 76 -10.658 3.467 29.263 1.00 0.00 C
604
+ ATOM 603 CE2 PHE A 76 -8.823 4.602 30.313 1.00 0.00 C
605
+ ATOM 604 CZ PHE A 76 -9.457 4.153 29.165 1.00 0.00 C
606
+ ATOM 605 N PHE A 77 -9.120 1.425 34.189 1.00 0.00 N
607
+ ATOM 606 CA PHE A 77 -7.782 0.845 34.133 1.00 0.00 C
608
+ ATOM 607 C PHE A 77 -7.839 -0.665 34.333 1.00 0.00 C
609
+ ATOM 608 CB PHE A 77 -6.874 1.481 35.190 1.00 0.00 C
610
+ ATOM 609 O PHE A 77 -7.058 -1.405 33.732 1.00 0.00 O
611
+ ATOM 610 CG PHE A 77 -6.568 2.932 34.933 1.00 0.00 C
612
+ ATOM 611 CD1 PHE A 77 -6.699 3.470 33.659 1.00 0.00 C
613
+ ATOM 612 CD2 PHE A 77 -6.148 3.758 35.968 1.00 0.00 C
614
+ ATOM 613 CE1 PHE A 77 -6.416 4.812 33.419 1.00 0.00 C
615
+ ATOM 614 CE2 PHE A 77 -5.863 5.100 35.735 1.00 0.00 C
616
+ ATOM 615 CZ PHE A 77 -5.997 5.625 34.460 1.00 0.00 C
617
+ ATOM 616 N LEU A 78 -8.773 -1.090 35.197 1.00 0.00 N
618
+ ATOM 617 CA LEU A 78 -8.965 -2.529 35.345 1.00 0.00 C
619
+ ATOM 618 C LEU A 78 -9.403 -3.155 34.026 1.00 0.00 C
620
+ ATOM 619 CB LEU A 78 -10.001 -2.823 36.432 1.00 0.00 C
621
+ ATOM 620 O LEU A 78 -8.882 -4.198 33.625 1.00 0.00 O
622
+ ATOM 621 CG LEU A 78 -10.258 -4.298 36.742 1.00 0.00 C
623
+ ATOM 622 CD1 LEU A 78 -8.953 -5.000 37.097 1.00 0.00 C
624
+ ATOM 623 CD2 LEU A 78 -11.271 -4.438 37.873 1.00 0.00 C
625
+ ATOM 624 N GLY A 79 -10.316 -2.521 33.342 1.00 0.00 N
626
+ ATOM 625 CA GLY A 79 -10.722 -2.979 32.023 1.00 0.00 C
627
+ ATOM 626 C GLY A 79 -9.578 -3.012 31.026 1.00 0.00 C
628
+ ATOM 627 O GLY A 79 -9.451 -3.962 30.251 1.00 0.00 O
629
+ ATOM 628 N GLN A 80 -8.731 -2.022 31.029 1.00 0.00 N
630
+ ATOM 629 CA GLN A 80 -7.583 -1.972 30.128 1.00 0.00 C
631
+ ATOM 630 C GLN A 80 -6.604 -3.105 30.423 1.00 0.00 C
632
+ ATOM 631 CB GLN A 80 -6.873 -0.621 30.237 1.00 0.00 C
633
+ ATOM 632 O GLN A 80 -6.065 -3.721 29.501 1.00 0.00 O
634
+ ATOM 633 CG GLN A 80 -7.652 0.534 29.624 1.00 0.00 C
635
+ ATOM 634 CD GLN A 80 -6.778 1.738 29.324 1.00 0.00 C
636
+ ATOM 635 NE2 GLN A 80 -7.254 2.922 29.690 1.00 0.00 N
637
+ ATOM 636 OE1 GLN A 80 -5.682 1.603 28.770 1.00 0.00 O
638
+ ATOM 637 N CYS A 81 -6.402 -3.343 31.716 1.00 0.00 N
639
+ ATOM 638 CA CYS A 81 -5.523 -4.441 32.100 1.00 0.00 C
640
+ ATOM 639 C CYS A 81 -6.076 -5.777 31.617 1.00 0.00 C
641
+ ATOM 640 CB CYS A 81 -5.336 -4.475 33.616 1.00 0.00 C
642
+ ATOM 641 O CYS A 81 -5.341 -6.592 31.057 1.00 0.00 O
643
+ ATOM 642 SG CYS A 81 -4.360 -3.098 34.260 1.00 0.00 S
644
+ ATOM 643 N GLN A 82 -7.333 -5.951 31.781 1.00 0.00 N
645
+ ATOM 644 CA GLN A 82 -7.996 -7.194 31.397 1.00 0.00 C
646
+ ATOM 645 C GLN A 82 -7.993 -7.373 29.882 1.00 0.00 C
647
+ ATOM 646 CB GLN A 82 -9.430 -7.223 31.927 1.00 0.00 C
648
+ ATOM 647 O GLN A 82 -7.871 -8.494 29.385 1.00 0.00 O
649
+ ATOM 648 CG GLN A 82 -9.524 -7.376 33.440 1.00 0.00 C
650
+ ATOM 649 CD GLN A 82 -10.917 -7.097 33.973 1.00 0.00 C
651
+ ATOM 650 NE2 GLN A 82 -11.263 -7.731 35.088 1.00 0.00 N
652
+ ATOM 651 OE1 GLN A 82 -11.675 -6.318 33.387 1.00 0.00 O
653
+ ATOM 652 N LEU A 83 -8.137 -6.273 29.197 1.00 0.00 N
654
+ ATOM 653 CA LEU A 83 -8.030 -6.315 27.742 1.00 0.00 C
655
+ ATOM 654 C LEU A 83 -6.649 -6.795 27.312 1.00 0.00 C
656
+ ATOM 655 CB LEU A 83 -8.312 -4.933 27.145 1.00 0.00 C
657
+ ATOM 656 O LEU A 83 -6.531 -7.666 26.447 1.00 0.00 O
658
+ ATOM 657 CG LEU A 83 -8.335 -4.847 25.618 1.00 0.00 C
659
+ ATOM 658 CD1 LEU A 83 -9.388 -5.793 25.049 1.00 0.00 C
660
+ ATOM 659 CD2 LEU A 83 -8.597 -3.414 25.167 1.00 0.00 C
661
+ ATOM 660 N GLU A 84 -5.603 -6.284 27.919 1.00 0.00 N
662
+ ATOM 661 CA GLU A 84 -4.232 -6.669 27.598 1.00 0.00 C
663
+ ATOM 662 C GLU A 84 -3.961 -8.120 27.979 1.00 0.00 C
664
+ ATOM 663 CB GLU A 84 -3.236 -5.744 28.302 1.00 0.00 C
665
+ ATOM 664 O GLU A 84 -3.136 -8.789 27.353 1.00 0.00 O
666
+ ATOM 665 CG GLU A 84 -3.282 -4.303 27.816 1.00 0.00 C
667
+ ATOM 666 CD GLU A 84 -2.867 -4.147 26.362 1.00 0.00 C
668
+ ATOM 667 OE1 GLU A 84 -1.980 -4.901 25.900 1.00 0.00 O
669
+ ATOM 668 OE2 GLU A 84 -3.433 -3.265 25.679 1.00 0.00 O
670
+ ATOM 669 N MET A 85 -4.676 -8.605 28.956 1.00 0.00 N
671
+ ATOM 670 CA MET A 85 -4.508 -9.978 29.423 1.00 0.00 C
672
+ ATOM 671 C MET A 85 -5.481 -10.916 28.715 1.00 0.00 C
673
+ ATOM 672 CB MET A 85 -4.709 -10.061 30.936 1.00 0.00 C
674
+ ATOM 673 O MET A 85 -5.626 -12.075 29.106 1.00 0.00 O
675
+ ATOM 674 CG MET A 85 -3.676 -9.283 31.736 1.00 0.00 C
676
+ ATOM 675 SD MET A 85 -4.002 -9.328 33.540 1.00 0.00 S
677
+ ATOM 676 CE MET A 85 -3.655 -11.076 33.885 1.00 0.00 C
678
+ ATOM 677 N GLU A 86 -6.181 -10.351 27.720 1.00 0.00 N
679
+ ATOM 678 CA GLU A 86 -7.104 -11.079 26.855 1.00 0.00 C
680
+ ATOM 679 C GLU A 86 -8.252 -11.683 27.658 1.00 0.00 C
681
+ ATOM 680 CB GLU A 86 -6.366 -12.177 26.085 1.00 0.00 C
682
+ ATOM 681 O GLU A 86 -8.782 -12.736 27.296 1.00 0.00 O
683
+ ATOM 682 CG GLU A 86 -5.228 -11.661 25.216 1.00 0.00 C
684
+ ATOM 683 CD GLU A 86 -4.620 -12.731 24.324 1.00 0.00 C
685
+ ATOM 684 OE1 GLU A 86 -4.919 -13.930 24.526 1.00 0.00 O
686
+ ATOM 685 OE2 GLU A 86 -3.837 -12.369 23.418 1.00 0.00 O
687
+ ATOM 686 N SER A 87 -8.564 -11.142 28.807 1.00 0.00 N
688
+ ATOM 687 CA SER A 87 -9.799 -11.399 29.541 1.00 0.00 C
689
+ ATOM 688 C SER A 87 -10.916 -10.465 29.089 1.00 0.00 C
690
+ ATOM 689 CB SER A 87 -9.571 -11.245 31.045 1.00 0.00 C
691
+ ATOM 690 O SER A 87 -11.296 -9.545 29.817 1.00 0.00 O
692
+ ATOM 691 OG SER A 87 -8.615 -12.183 31.508 1.00 0.00 O
693
+ ATOM 692 N TYR A 88 -11.475 -10.731 27.944 1.00 0.00 N
694
+ ATOM 693 CA TYR A 88 -12.291 -9.772 27.210 1.00 0.00 C
695
+ ATOM 694 C TYR A 88 -13.640 -9.570 27.889 1.00 0.00 C
696
+ ATOM 695 CB TYR A 88 -12.498 -10.236 25.765 1.00 0.00 C
697
+ ATOM 696 O TYR A 88 -14.142 -8.447 27.967 1.00 0.00 O
698
+ ATOM 697 CG TYR A 88 -11.215 -10.375 24.982 1.00 0.00 C
699
+ ATOM 698 CD1 TYR A 88 -10.338 -9.300 24.848 1.00 0.00 C
700
+ ATOM 699 CD2 TYR A 88 -10.878 -11.578 24.374 1.00 0.00 C
701
+ ATOM 700 CE1 TYR A 88 -9.156 -9.422 24.126 1.00 0.00 C
702
+ ATOM 701 CE2 TYR A 88 -9.697 -11.712 23.649 1.00 0.00 C
703
+ ATOM 702 OH TYR A 88 -7.675 -10.756 22.815 1.00 0.00 O
704
+ ATOM 703 CZ TYR A 88 -8.844 -10.629 23.532 1.00 0.00 C
705
+ ATOM 704 N ASP A 89 -14.239 -10.652 28.420 1.00 0.00 N
706
+ ATOM 705 CA ASP A 89 -15.527 -10.510 29.092 1.00 0.00 C
707
+ ATOM 706 C ASP A 89 -15.409 -9.608 30.319 1.00 0.00 C
708
+ ATOM 707 CB ASP A 89 -16.073 -11.880 29.499 1.00 0.00 C
709
+ ATOM 708 O ASP A 89 -16.234 -8.714 30.519 1.00 0.00 O
710
+ ATOM 709 CG ASP A 89 -16.542 -12.707 28.314 1.00 0.00 C
711
+ ATOM 710 OD1 ASP A 89 -17.000 -12.124 27.307 1.00 0.00 O
712
+ ATOM 711 OD2 ASP A 89 -16.456 -13.952 28.388 1.00 0.00 O
713
+ ATOM 712 N GLU A 90 -14.394 -9.859 31.134 1.00 0.00 N
714
+ ATOM 713 CA GLU A 90 -14.159 -9.025 32.309 1.00 0.00 C
715
+ ATOM 714 C GLU A 90 -13.834 -7.589 31.911 1.00 0.00 C
716
+ ATOM 715 CB GLU A 90 -13.028 -9.604 33.162 1.00 0.00 C
717
+ ATOM 716 O GLU A 90 -14.294 -6.642 32.554 1.00 0.00 O
718
+ ATOM 717 CG GLU A 90 -13.376 -10.925 33.832 1.00 0.00 C
719
+ ATOM 718 CD GLU A 90 -13.071 -12.137 32.966 1.00 0.00 C
720
+ ATOM 719 OE1 GLU A 90 -12.827 -11.967 31.749 1.00 0.00 O
721
+ ATOM 720 OE2 GLU A 90 -13.077 -13.265 33.507 1.00 0.00 O
722
+ ATOM 721 N ALA A 91 -13.043 -7.466 30.838 1.00 0.00 N
723
+ ATOM 722 CA ALA A 91 -12.695 -6.135 30.347 1.00 0.00 C
724
+ ATOM 723 C ALA A 91 -13.944 -5.349 29.960 1.00 0.00 C
725
+ ATOM 724 CB ALA A 91 -11.746 -6.240 29.156 1.00 0.00 C
726
+ ATOM 725 O ALA A 91 -14.109 -4.195 30.365 1.00 0.00 O
727
+ ATOM 726 N ILE A 92 -14.843 -5.948 29.235 1.00 0.00 N
728
+ ATOM 727 CA ILE A 92 -16.056 -5.289 28.764 1.00 0.00 C
729
+ ATOM 728 C ILE A 92 -16.935 -4.914 29.955 1.00 0.00 C
730
+ ATOM 729 CB ILE A 92 -16.841 -6.185 27.779 1.00 0.00 C
731
+ ATOM 730 O ILE A 92 -17.466 -3.802 30.017 1.00 0.00 O
732
+ ATOM 731 CG1 ILE A 92 -16.087 -6.303 26.449 1.00 0.00 C
733
+ ATOM 732 CG2 ILE A 92 -18.255 -5.639 27.562 1.00 0.00 C
734
+ ATOM 733 CD1 ILE A 92 -16.597 -7.418 25.547 1.00 0.00 C
735
+ ATOM 734 N ALA A 93 -17.038 -5.766 30.894 1.00 0.00 N
736
+ ATOM 735 CA ALA A 93 -17.849 -5.503 32.081 1.00 0.00 C
737
+ ATOM 736 C ALA A 93 -17.329 -4.287 32.842 1.00 0.00 C
738
+ ATOM 737 CB ALA A 93 -17.872 -6.727 32.992 1.00 0.00 C
739
+ ATOM 738 O ALA A 93 -18.102 -3.402 33.215 1.00 0.00 O
740
+ ATOM 739 N ASN A 94 -16.030 -4.224 33.072 1.00 0.00 N
741
+ ATOM 740 CA ASN A 94 -15.448 -3.120 33.826 1.00 0.00 C
742
+ ATOM 741 C ASN A 94 -15.459 -1.823 33.022 1.00 0.00 C
743
+ ATOM 742 CB ASN A 94 -14.022 -3.461 34.263 1.00 0.00 C
744
+ ATOM 743 O ASN A 94 -15.671 -0.745 33.579 1.00 0.00 O
745
+ ATOM 744 CG ASN A 94 -13.984 -4.392 35.459 1.00 0.00 C
746
+ ATOM 745 ND2 ASN A 94 -13.325 -5.534 35.301 1.00 0.00 N
747
+ ATOM 746 OD1 ASN A 94 -14.543 -4.089 36.516 1.00 0.00 O
748
+ ATOM 747 N LEU A 95 -15.268 -1.911 31.721 1.00 0.00 N
749
+ ATOM 748 CA LEU A 95 -15.351 -0.721 30.884 1.00 0.00 C
750
+ ATOM 749 C LEU A 95 -16.779 -0.185 30.839 1.00 0.00 C
751
+ ATOM 750 CB LEU A 95 -14.864 -1.027 29.464 1.00 0.00 C
752
+ ATOM 751 O LEU A 95 -16.991 1.030 30.848 1.00 0.00 O
753
+ ATOM 752 CG LEU A 95 -13.365 -1.287 29.303 1.00 0.00 C
754
+ ATOM 753 CD1 LEU A 95 -13.076 -1.886 27.931 1.00 0.00 C
755
+ ATOM 754 CD2 LEU A 95 -12.574 0.000 29.509 1.00 0.00 C
756
+ ATOM 755 N GLN A 96 -17.745 -1.092 30.776 1.00 0.00 N
757
+ ATOM 756 CA GLN A 96 -19.140 -0.669 30.816 1.00 0.00 C
758
+ ATOM 757 C GLN A 96 -19.474 -0.000 32.147 1.00 0.00 C
759
+ ATOM 758 CB GLN A 96 -20.071 -1.860 30.579 1.00 0.00 C
760
+ ATOM 759 O GLN A 96 -20.193 1.001 32.182 1.00 0.00 O
761
+ ATOM 760 CG GLN A 96 -20.119 -2.324 29.130 1.00 0.00 C
762
+ ATOM 761 CD GLN A 96 -20.948 -3.580 28.942 1.00 0.00 C
763
+ ATOM 762 NE2 GLN A 96 -21.452 -3.782 27.730 1.00 0.00 N
764
+ ATOM 763 OE1 GLN A 96 -21.135 -4.362 29.880 1.00 0.00 O
765
+ ATOM 764 N ARG A 97 -18.949 -0.535 33.208 1.00 0.00 N
766
+ ATOM 765 CA ARG A 97 -19.150 0.085 34.513 1.00 0.00 C
767
+ ATOM 766 C ARG A 97 -18.511 1.469 34.568 1.00 0.00 C
768
+ ATOM 767 CB ARG A 97 -18.580 -0.800 35.623 1.00 0.00 C
769
+ ATOM 768 O ARG A 97 -19.112 2.417 35.076 1.00 0.00 O
770
+ ATOM 769 CG ARG A 97 -18.804 -0.254 37.024 1.00 0.00 C
771
+ ATOM 770 CD ARG A 97 -20.284 -0.093 37.337 1.00 0.00 C
772
+ ATOM 771 NE ARG A 97 -20.505 0.256 38.738 1.00 0.00 N
773
+ ATOM 772 NH1 ARG A 97 -22.691 0.940 38.438 1.00 0.00 N
774
+ ATOM 773 NH2 ARG A 97 -21.734 1.024 40.520 1.00 0.00 N
775
+ ATOM 774 CZ ARG A 97 -21.643 0.739 39.228 1.00 0.00 C
776
+ ATOM 775 N ALA A 98 -17.313 1.588 34.131 1.00 0.00 N
777
+ ATOM 776 CA ALA A 98 -16.642 2.883 34.069 1.00 0.00 C
778
+ ATOM 777 C ALA A 98 -17.469 3.891 33.274 1.00 0.00 C
779
+ ATOM 778 CB ALA A 98 -15.253 2.735 33.452 1.00 0.00 C
780
+ ATOM 779 O ALA A 98 -17.619 5.044 33.686 1.00 0.00 O
781
+ ATOM 780 N TYR A 99 -18.037 3.458 32.140 1.00 0.00 N
782
+ ATOM 781 CA TYR A 99 -18.840 4.323 31.282 1.00 0.00 C
783
+ ATOM 782 C TYR A 99 -20.090 4.803 32.009 1.00 0.00 C
784
+ ATOM 783 CB TYR A 99 -19.232 3.591 29.996 1.00 0.00 C
785
+ ATOM 784 O TYR A 99 -20.397 5.997 32.007 1.00 0.00 O
786
+ ATOM 785 CG TYR A 99 -19.975 4.456 29.007 1.00 0.00 C
787
+ ATOM 786 CD1 TYR A 99 -19.365 5.567 28.429 1.00 0.00 C
788
+ ATOM 787 CD2 TYR A 99 -21.287 4.165 28.649 1.00 0.00 C
789
+ ATOM 788 CE1 TYR A 99 -20.046 6.369 27.519 1.00 0.00 C
790
+ ATOM 789 CE2 TYR A 99 -21.977 4.960 27.739 1.00 0.00 C
791
+ ATOM 790 OH TYR A 99 -22.027 6.848 26.280 1.00 0.00 O
792
+ ATOM 791 CZ TYR A 99 -21.348 6.058 27.180 1.00 0.00 C
793
+ ATOM 792 N SER A 100 -20.786 3.845 32.656 1.00 0.00 N
794
+ ATOM 793 CA SER A 100 -22.003 4.186 33.386 1.00 0.00 C
795
+ ATOM 794 C SER A 100 -21.710 5.158 34.525 1.00 0.00 C
796
+ ATOM 795 CB SER A 100 -22.666 2.925 33.940 1.00 0.00 C
797
+ ATOM 796 O SER A 100 -22.430 6.141 34.709 1.00 0.00 O
798
+ ATOM 797 OG SER A 100 -23.117 2.090 32.887 1.00 0.00 O
799
+ ATOM 798 N LEU A 101 -20.653 4.938 35.229 1.00 0.00 N
800
+ ATOM 799 CA LEU A 101 -20.287 5.811 36.339 1.00 0.00 C
801
+ ATOM 800 C LEU A 101 -19.873 7.189 35.835 1.00 0.00 C
802
+ ATOM 801 CB LEU A 101 -19.149 5.191 37.155 1.00 0.00 C
803
+ ATOM 802 O LEU A 101 -20.168 8.203 36.473 1.00 0.00 O
804
+ ATOM 803 CG LEU A 101 -19.509 3.970 38.004 1.00 0.00 C
805
+ ATOM 804 CD1 LEU A 101 -18.253 3.358 38.612 1.00 0.00 C
806
+ ATOM 805 CD2 LEU A 101 -20.505 4.353 39.094 1.00 0.00 C
807
+ ATOM 806 N ALA A 102 -19.117 7.189 34.773 1.00 0.00 N
808
+ ATOM 807 CA ALA A 102 -18.710 8.472 34.206 1.00 0.00 C
809
+ ATOM 808 C ALA A 102 -19.926 9.321 33.844 1.00 0.00 C
810
+ ATOM 809 CB ALA A 102 -17.832 8.255 32.976 1.00 0.00 C
811
+ ATOM 810 O ALA A 102 -19.946 10.527 34.100 1.00 0.00 O
812
+ ATOM 811 N LYS A 103 -20.982 8.759 33.345 1.00 0.00 N
813
+ ATOM 812 CA LYS A 103 -22.211 9.470 33.006 1.00 0.00 C
814
+ ATOM 813 C LYS A 103 -22.924 9.964 34.262 1.00 0.00 C
815
+ ATOM 814 CB LYS A 103 -23.145 8.571 32.194 1.00 0.00 C
816
+ ATOM 815 O LYS A 103 -23.346 11.121 34.327 1.00 0.00 O
817
+ ATOM 816 CG LYS A 103 -22.691 8.343 30.760 1.00 0.00 C
818
+ ATOM 817 CD LYS A 103 -23.719 7.543 29.969 1.00 0.00 C
819
+ ATOM 818 CE LYS A 103 -23.358 7.475 28.491 1.00 0.00 C
820
+ ATOM 819 NZ LYS A 103 -24.352 6.675 27.714 1.00 0.00 N
821
+ ATOM 820 N GLU A 104 -23.013 9.083 35.188 1.00 0.00 N
822
+ ATOM 821 CA GLU A 104 -23.692 9.418 36.435 1.00 0.00 C
823
+ ATOM 822 C GLU A 104 -22.991 10.568 37.154 1.00 0.00 C
824
+ ATOM 823 CB GLU A 104 -23.768 8.193 37.351 1.00 0.00 C
825
+ ATOM 824 O GLU A 104 -23.647 11.463 37.690 1.00 0.00 O
826
+ ATOM 825 CG GLU A 104 -24.733 7.121 36.867 1.00 0.00 C
827
+ ATOM 826 CD GLU A 104 -24.682 5.849 37.696 1.00 0.00 C
828
+ ATOM 827 OE1 GLU A 104 -24.080 5.863 38.794 1.00 0.00 O
829
+ ATOM 828 OE2 GLU A 104 -25.248 4.828 37.245 1.00 0.00 O
830
+ ATOM 829 N GLN A 105 -21.665 10.489 37.085 1.00 0.00 N
831
+ ATOM 830 CA GLN A 105 -20.857 11.470 37.801 1.00 0.00 C
832
+ ATOM 831 C GLN A 105 -20.555 12.681 36.922 1.00 0.00 C
833
+ ATOM 832 CB GLN A 105 -19.554 10.838 38.291 1.00 0.00 C
834
+ ATOM 833 O GLN A 105 -19.822 13.583 37.331 1.00 0.00 O
835
+ ATOM 834 CG GLN A 105 -19.757 9.702 39.285 1.00 0.00 C
836
+ ATOM 835 CD GLN A 105 -18.457 9.028 39.680 1.00 0.00 C
837
+ ATOM 836 NE2 GLN A 105 -18.547 7.780 40.127 1.00 0.00 N
838
+ ATOM 837 OE1 GLN A 105 -17.379 9.623 39.582 1.00 0.00 O
839
+ ATOM 838 N ARG A 106 -21.008 12.604 35.725 1.00 0.00 N
840
+ ATOM 839 CA ARG A 106 -20.874 13.676 34.744 1.00 0.00 C
841
+ ATOM 840 C ARG A 106 -19.407 14.002 34.485 1.00 0.00 C
842
+ ATOM 841 CB ARG A 106 -21.615 14.931 35.212 1.00 0.00 C
843
+ ATOM 842 O ARG A 106 -19.024 15.174 34.443 1.00 0.00 O
844
+ ATOM 843 CG ARG A 106 -23.111 14.731 35.393 1.00 0.00 C
845
+ ATOM 844 CD ARG A 106 -23.804 16.015 35.826 1.00 0.00 C
846
+ ATOM 845 NE ARG A 106 -25.219 15.796 36.108 1.00 0.00 N
847
+ ATOM 846 NH1 ARG A 106 -25.635 17.968 36.777 1.00 0.00 N
848
+ ATOM 847 NH2 ARG A 106 -27.326 16.420 36.778 1.00 0.00 N
849
+ ATOM 848 CZ ARG A 106 -26.057 16.728 36.554 1.00 0.00 C
850
+ ATOM 849 N LEU A 107 -18.659 12.953 34.502 1.00 0.00 N
851
+ ATOM 850 CA LEU A 107 -17.254 13.099 34.138 1.00 0.00 C
852
+ ATOM 851 C LEU A 107 -17.066 12.967 32.631 1.00 0.00 C
853
+ ATOM 852 CB LEU A 107 -16.400 12.055 34.863 1.00 0.00 C
854
+ ATOM 853 O LEU A 107 -17.733 12.154 31.986 1.00 0.00 O
855
+ ATOM 854 CG LEU A 107 -16.409 12.115 36.392 1.00 0.00 C
856
+ ATOM 855 CD1 LEU A 107 -15.646 10.930 36.973 1.00 0.00 C
857
+ ATOM 856 CD2 LEU A 107 -15.814 13.432 36.879 1.00 0.00 C
858
+ ATOM 857 N ASN A 108 -16.141 13.761 32.110 1.00 0.00 N
859
+ ATOM 858 CA ASN A 108 -15.840 13.740 30.684 1.00 0.00 C
860
+ ATOM 859 C ASN A 108 -14.553 12.972 30.393 1.00 0.00 C
861
+ ATOM 860 CB ASN A 108 -15.741 15.166 30.134 1.00 0.00 C
862
+ ATOM 861 O ASN A 108 -13.460 13.436 30.722 1.00 0.00 O
863
+ ATOM 862 CG ASN A 108 -15.593 15.201 28.626 1.00 0.00 C
864
+ ATOM 863 ND2 ASN A 108 -15.432 16.398 28.075 1.00 0.00 N
865
+ ATOM 864 OD1 ASN A 108 -15.622 14.161 27.963 1.00 0.00 O
866
+ ATOM 865 N PHE A 109 -14.699 11.809 29.864 1.00 0.00 N
867
+ ATOM 866 CA PHE A 109 -13.550 11.023 29.431 1.00 0.00 C
868
+ ATOM 867 C PHE A 109 -13.412 11.058 27.914 1.00 0.00 C
869
+ ATOM 868 CB PHE A 109 -13.676 9.575 29.913 1.00 0.00 C
870
+ ATOM 869 O PHE A 109 -12.658 10.271 27.335 1.00 0.00 O
871
+ ATOM 870 CG PHE A 109 -13.339 9.388 31.368 1.00 0.00 C
872
+ ATOM 871 CD1 PHE A 109 -12.068 8.983 31.755 1.00 0.00 C
873
+ ATOM 872 CD2 PHE A 109 -14.295 9.618 32.350 1.00 0.00 C
874
+ ATOM 873 CE1 PHE A 109 -11.753 8.809 33.101 1.00 0.00 C
875
+ ATOM 874 CE2 PHE A 109 -13.987 9.447 33.696 1.00 0.00 C
876
+ ATOM 875 CZ PHE A 109 -12.716 9.041 34.070 1.00 0.00 C
877
+ ATOM 876 N GLY A 110 -14.122 12.071 27.291 1.00 0.00 N
878
+ ATOM 877 CA GLY A 110 -14.089 12.078 25.838 1.00 0.00 C
879
+ ATOM 878 C GLY A 110 -14.411 10.727 25.227 1.00 0.00 C
880
+ ATOM 879 O GLY A 110 -15.380 10.076 25.623 1.00 0.00 O
881
+ ATOM 880 N ASP A 111 -13.604 10.313 24.242 1.00 0.00 N
882
+ ATOM 881 CA ASP A 111 -13.847 9.064 23.526 1.00 0.00 C
883
+ ATOM 882 C ASP A 111 -13.025 7.922 24.119 1.00 0.00 C
884
+ ATOM 883 CB ASP A 111 -13.526 9.227 22.040 1.00 0.00 C
885
+ ATOM 884 O ASP A 111 -12.907 6.855 23.513 1.00 0.00 O
886
+ ATOM 885 CG ASP A 111 -14.212 8.190 21.167 1.00 0.00 C
887
+ ATOM 886 OD1 ASP A 111 -15.416 7.923 21.370 1.00 0.00 O
888
+ ATOM 887 OD2 ASP A 111 -13.542 7.633 20.271 1.00 0.00 O
889
+ ATOM 888 N ASP A 112 -12.354 8.118 25.240 1.00 0.00 N
890
+ ATOM 889 CA ASP A 112 -11.439 7.113 25.772 1.00 0.00 C
891
+ ATOM 890 C ASP A 112 -12.182 5.828 26.131 1.00 0.00 C
892
+ ATOM 891 CB ASP A 112 -10.701 7.654 26.998 1.00 0.00 C
893
+ ATOM 892 O ASP A 112 -11.803 4.742 25.689 1.00 0.00 O
894
+ ATOM 893 CG ASP A 112 -9.633 8.676 26.645 1.00 0.00 C
895
+ ATOM 894 OD1 ASP A 112 -9.296 8.817 25.449 1.00 0.00 O
896
+ ATOM 895 OD2 ASP A 112 -9.123 9.343 27.571 1.00 0.00 O
897
+ ATOM 896 N ILE A 113 -13.303 6.006 26.862 1.00 0.00 N
898
+ ATOM 897 CA ILE A 113 -13.995 4.816 27.344 1.00 0.00 C
899
+ ATOM 898 C ILE A 113 -14.776 4.174 26.199 1.00 0.00 C
900
+ ATOM 899 CB ILE A 113 -14.943 5.150 28.518 1.00 0.00 C
901
+ ATOM 900 O ILE A 113 -14.679 2.965 25.975 1.00 0.00 O
902
+ ATOM 901 CG1 ILE A 113 -14.141 5.634 29.731 1.00 0.00 C
903
+ ATOM 902 CG2 ILE A 113 -15.805 3.937 28.879 1.00 0.00 C
904
+ ATOM 903 CD1 ILE A 113 -15.003 6.116 30.890 1.00 0.00 C
905
+ ATOM 904 N PRO A 114 -15.501 4.900 25.372 1.00 0.00 N
906
+ ATOM 905 CA PRO A 114 -16.172 4.269 24.234 1.00 0.00 C
907
+ ATOM 906 C PRO A 114 -15.197 3.576 23.284 1.00 0.00 C
908
+ ATOM 907 CB PRO A 114 -16.868 5.443 23.540 1.00 0.00 C
909
+ ATOM 908 O PRO A 114 -15.477 2.476 22.801 1.00 0.00 O
910
+ ATOM 909 CG PRO A 114 -17.139 6.425 24.633 1.00 0.00 C
911
+ ATOM 910 CD PRO A 114 -15.988 6.396 25.597 1.00 0.00 C
912
+ ATOM 911 N SER A 115 -14.100 4.199 23.028 1.00 0.00 N
913
+ ATOM 912 CA SER A 115 -13.102 3.578 22.163 1.00 0.00 C
914
+ ATOM 913 C SER A 115 -12.589 2.271 22.759 1.00 0.00 C
915
+ ATOM 914 CB SER A 115 -11.931 4.533 21.924 1.00 0.00 C
916
+ ATOM 915 O SER A 115 -12.449 1.273 22.049 1.00 0.00 O
917
+ ATOM 916 OG SER A 115 -10.916 3.903 21.163 1.00 0.00 O
918
+ ATOM 917 N ALA A 116 -12.289 2.247 23.989 1.00 0.00 N
919
+ ATOM 918 CA ALA A 116 -11.818 1.032 24.649 1.00 0.00 C
920
+ ATOM 919 C ALA A 116 -12.874 -0.068 24.590 1.00 0.00 C
921
+ ATOM 920 CB ALA A 116 -11.440 1.326 26.099 1.00 0.00 C
922
+ ATOM 921 O ALA A 116 -12.548 -1.240 24.385 1.00 0.00 O
923
+ ATOM 922 N LEU A 117 -14.131 0.309 24.740 1.00 0.00 N
924
+ ATOM 923 CA LEU A 117 -15.223 -0.656 24.657 1.00 0.00 C
925
+ ATOM 924 C LEU A 117 -15.314 -1.253 23.256 1.00 0.00 C
926
+ ATOM 925 CB LEU A 117 -16.552 0.006 25.029 1.00 0.00 C
927
+ ATOM 926 O LEU A 117 -15.465 -2.468 23.104 1.00 0.00 O
928
+ ATOM 927 CG LEU A 117 -16.860 0.114 26.523 1.00 0.00 C
929
+ ATOM 928 CD1 LEU A 117 -18.023 1.073 26.757 1.00 0.00 C
930
+ ATOM 929 CD2 LEU A 117 -17.169 -1.260 27.107 1.00 0.00 C
931
+ ATOM 930 N ARG A 118 -15.221 -0.349 22.274 1.00 0.00 N
932
+ ATOM 931 CA ARG A 118 -15.267 -0.843 20.902 1.00 0.00 C
933
+ ATOM 932 C ARG A 118 -14.129 -1.822 20.635 1.00 0.00 C
934
+ ATOM 933 CB ARG A 118 -15.202 0.320 19.909 1.00 0.00 C
935
+ ATOM 934 O ARG A 118 -14.343 -2.886 20.048 1.00 0.00 O
936
+ ATOM 935 CG ARG A 118 -16.489 1.123 19.817 1.00 0.00 C
937
+ ATOM 936 CD ARG A 118 -16.507 2.021 18.587 1.00 0.00 C
938
+ ATOM 937 NE ARG A 118 -15.399 2.970 18.596 1.00 0.00 N
939
+ ATOM 938 NH1 ARG A 118 -16.549 4.622 19.728 1.00 0.00 N
940
+ ATOM 939 NH2 ARG A 118 -14.375 4.966 19.089 1.00 0.00 N
941
+ ATOM 940 CZ ARG A 118 -15.444 4.184 19.138 1.00 0.00 C
942
+ ATOM 941 N ILE A 119 -12.975 -1.478 21.112 1.00 0.00 N
943
+ ATOM 942 CA ILE A 119 -11.794 -2.310 20.913 1.00 0.00 C
944
+ ATOM 943 C ILE A 119 -11.978 -3.647 21.627 1.00 0.00 C
945
+ ATOM 944 CB ILE A 119 -10.515 -1.604 21.417 1.00 0.00 C
946
+ ATOM 945 O ILE A 119 -11.681 -4.704 21.065 1.00 0.00 O
947
+ ATOM 946 CG1 ILE A 119 -10.160 -0.426 20.503 1.00 0.00 C
948
+ ATOM 947 CG2 ILE A 119 -9.351 -2.596 21.508 1.00 0.00 C
949
+ ATOM 948 CD1 ILE A 119 -9.095 0.501 21.074 1.00 0.00 C
950
+ ATOM 949 N ALA A 120 -12.465 -3.656 22.838 1.00 0.00 N
951
+ ATOM 950 CA ALA A 120 -12.662 -4.876 23.618 1.00 0.00 C
952
+ ATOM 951 C ALA A 120 -13.675 -5.798 22.946 1.00 0.00 C
953
+ ATOM 952 CB ALA A 120 -13.115 -4.534 25.035 1.00 0.00 C
954
+ ATOM 953 O ALA A 120 -13.459 -7.009 22.860 1.00 0.00 O
955
+ ATOM 954 N LYS A 121 -14.753 -5.243 22.459 1.00 0.00 N
956
+ ATOM 955 CA LYS A 121 -15.779 -6.045 21.797 1.00 0.00 C
957
+ ATOM 956 C LYS A 121 -15.246 -6.665 20.509 1.00 0.00 C
958
+ ATOM 957 CB LYS A 121 -17.014 -5.194 21.497 1.00 0.00 C
959
+ ATOM 958 O LYS A 121 -15.515 -7.832 20.219 1.00 0.00 O
960
+ ATOM 959 CG LYS A 121 -17.815 -4.808 22.732 1.00 0.00 C
961
+ ATOM 960 CD LYS A 121 -18.995 -3.914 22.377 1.00 0.00 C
962
+ ATOM 961 CE LYS A 121 -19.812 -3.548 23.609 1.00 0.00 C
963
+ ATOM 962 NZ LYS A 121 -20.954 -2.649 23.269 1.00 0.00 N
964
+ ATOM 963 N LYS A 122 -14.507 -5.831 19.821 1.00 0.00 N
965
+ ATOM 964 CA LYS A 122 -13.919 -6.359 18.593 1.00 0.00 C
966
+ ATOM 965 C LYS A 122 -12.950 -7.499 18.893 1.00 0.00 C
967
+ ATOM 966 CB LYS A 122 -13.203 -5.250 17.820 1.00 0.00 C
968
+ ATOM 967 O LYS A 122 -12.980 -8.538 18.231 1.00 0.00 O
969
+ ATOM 968 CG LYS A 122 -12.605 -5.704 16.496 1.00 0.00 C
970
+ ATOM 969 CD LYS A 122 -12.004 -4.537 15.724 1.00 0.00 C
971
+ ATOM 970 CE LYS A 122 -11.433 -4.986 14.387 1.00 0.00 C
972
+ ATOM 971 NZ LYS A 122 -10.887 -3.837 13.604 1.00 0.00 N
973
+ ATOM 972 N LYS A 123 -12.084 -7.337 19.797 1.00 0.00 N
974
+ ATOM 973 CA LYS A 123 -11.116 -8.377 20.135 1.00 0.00 C
975
+ ATOM 974 C LYS A 123 -11.814 -9.628 20.661 1.00 0.00 C
976
+ ATOM 975 CB LYS A 123 -10.115 -7.861 21.171 1.00 0.00 C
977
+ ATOM 976 O LYS A 123 -11.386 -10.749 20.378 1.00 0.00 O
978
+ ATOM 977 CG LYS A 123 -9.095 -6.881 20.612 1.00 0.00 C
979
+ ATOM 978 CD LYS A 123 -8.034 -6.527 21.646 1.00 0.00 C
980
+ ATOM 979 CE LYS A 123 -6.923 -5.681 21.041 1.00 0.00 C
981
+ ATOM 980 NZ LYS A 123 -5.835 -5.409 22.027 1.00 0.00 N
982
+ ATOM 981 N ARG A 124 -12.801 -9.440 21.460 1.00 0.00 N
983
+ ATOM 982 CA ARG A 124 -13.598 -10.573 21.918 1.00 0.00 C
984
+ ATOM 983 C ARG A 124 -14.184 -11.343 20.739 1.00 0.00 C
985
+ ATOM 984 CB ARG A 124 -14.721 -10.100 22.845 1.00 0.00 C
986
+ ATOM 985 O ARG A 124 -14.070 -12.569 20.674 1.00 0.00 O
987
+ ATOM 986 CG ARG A 124 -15.545 -11.230 23.441 1.00 0.00 C
988
+ ATOM 987 CD ARG A 124 -16.670 -10.704 24.321 1.00 0.00 C
989
+ ATOM 988 NE ARG A 124 -17.489 -11.789 24.853 1.00 0.00 N
990
+ ATOM 989 NH1 ARG A 124 -19.167 -11.571 23.279 1.00 0.00 N
991
+ ATOM 990 NH2 ARG A 124 -19.321 -13.175 24.909 1.00 0.00 N
992
+ ATOM 991 CZ ARG A 124 -18.657 -12.175 24.346 1.00 0.00 C
993
+ ATOM 992 N TRP A 125 -14.781 -10.585 19.788 1.00 0.00 N
994
+ ATOM 993 CA TRP A 125 -15.357 -11.205 18.600 1.00 0.00 C
995
+ ATOM 994 C TRP A 125 -14.300 -11.985 17.825 1.00 0.00 C
996
+ ATOM 995 CB TRP A 125 -15.993 -10.147 17.694 1.00 0.00 C
997
+ ATOM 996 O TRP A 125 -14.532 -13.128 17.423 1.00 0.00 O
998
+ ATOM 997 CG TRP A 125 -16.480 -10.682 16.381 1.00 0.00 C
999
+ ATOM 998 CD1 TRP A 125 -15.864 -10.569 15.166 1.00 0.00 C
1000
+ ATOM 999 CD2 TRP A 125 -17.690 -11.411 16.152 1.00 0.00 C
1001
+ ATOM 1000 CE2 TRP A 125 -17.742 -11.709 14.772 1.00 0.00 C
1002
+ ATOM 1001 CE3 TRP A 125 -18.734 -11.842 16.979 1.00 0.00 C
1003
+ ATOM 1002 NE1 TRP A 125 -16.618 -11.185 14.194 1.00 0.00 N
1004
+ ATOM 1003 CH2 TRP A 125 -19.811 -12.830 15.034 1.00 0.00 C
1005
+ ATOM 1004 CZ2 TRP A 125 -18.802 -12.419 14.202 1.00 0.00 C
1006
+ ATOM 1005 CZ3 TRP A 125 -19.788 -12.549 16.411 1.00 0.00 C
1007
+ ATOM 1006 N ASN A 126 -13.192 -11.409 17.620 1.00 0.00 N
1008
+ ATOM 1007 CA ASN A 126 -12.101 -12.065 16.910 1.00 0.00 C
1009
+ ATOM 1008 C ASN A 126 -11.644 -13.331 17.629 1.00 0.00 C
1010
+ ATOM 1009 CB ASN A 126 -10.923 -11.105 16.728 1.00 0.00 C
1011
+ ATOM 1010 O ASN A 126 -11.334 -14.337 16.988 1.00 0.00 O
1012
+ ATOM 1011 CG ASN A 126 -11.207 -10.019 15.709 1.00 0.00 C
1013
+ ATOM 1012 ND2 ASN A 126 -10.408 -8.959 15.732 1.00 0.00 N
1014
+ ATOM 1013 OD1 ASN A 126 -12.139 -10.131 14.908 1.00 0.00 O
1015
+ ATOM 1014 N SER A 127 -11.590 -13.322 18.907 1.00 0.00 N
1016
+ ATOM 1015 CA SER A 127 -11.168 -14.478 19.693 1.00 0.00 C
1017
+ ATOM 1016 C SER A 127 -12.153 -15.633 19.552 1.00 0.00 C
1018
+ ATOM 1017 CB SER A 127 -11.021 -14.099 21.168 1.00 0.00 C
1019
+ ATOM 1018 O SER A 127 -11.748 -16.790 19.432 1.00 0.00 O
1020
+ ATOM 1019 OG SER A 127 -10.711 -15.240 21.951 1.00 0.00 O
1021
+ ATOM 1020 N ILE A 128 -13.378 -15.321 19.498 1.00 0.00 N
1022
+ ATOM 1021 CA ILE A 128 -14.419 -16.330 19.338 1.00 0.00 C
1023
+ ATOM 1022 C ILE A 128 -14.355 -16.919 17.931 1.00 0.00 C
1024
+ ATOM 1023 CB ILE A 128 -15.823 -15.741 19.609 1.00 0.00 C
1025
+ ATOM 1024 O ILE A 128 -14.449 -18.136 17.755 1.00 0.00 O
1026
+ ATOM 1025 CG1 ILE A 128 -15.977 -15.391 21.093 1.00 0.00 C
1027
+ ATOM 1026 CG2 ILE A 128 -16.913 -16.718 19.160 1.00 0.00 C
1028
+ ATOM 1027 CD1 ILE A 128 -17.216 -14.564 21.408 1.00 0.00 C
1029
+ ATOM 1028 N GLU A 129 -14.214 -16.087 16.925 1.00 0.00 N
1030
+ ATOM 1029 CA GLU A 129 -14.150 -16.536 15.538 1.00 0.00 C
1031
+ ATOM 1030 C GLU A 129 -12.942 -17.438 15.305 1.00 0.00 C
1032
+ ATOM 1031 CB GLU A 129 -14.104 -15.338 14.586 1.00 0.00 C
1033
+ ATOM 1032 O GLU A 129 -13.032 -18.431 14.580 1.00 0.00 O
1034
+ ATOM 1033 CG GLU A 129 -15.431 -14.604 14.456 1.00 0.00 C
1035
+ ATOM 1034 CD GLU A 129 -16.490 -15.406 13.716 1.00 0.00 C
1036
+ ATOM 1035 OE1 GLU A 129 -16.148 -16.096 12.729 1.00 0.00 O
1037
+ ATOM 1036 OE2 GLU A 129 -17.670 -15.343 14.127 1.00 0.00 O
1038
+ ATOM 1037 N GLU A 130 -11.913 -17.110 15.912 1.00 0.00 N
1039
+ ATOM 1038 CA GLU A 130 -10.707 -17.916 15.750 1.00 0.00 C
1040
+ ATOM 1039 C GLU A 130 -10.893 -19.313 16.336 1.00 0.00 C
1041
+ ATOM 1040 CB GLU A 130 -9.507 -17.227 16.405 1.00 0.00 C
1042
+ ATOM 1041 O GLU A 130 -10.343 -20.287 15.818 1.00 0.00 O
1043
+ ATOM 1042 CG GLU A 130 -8.927 -16.086 15.581 1.00 0.00 C
1044
+ ATOM 1043 CD GLU A 130 -7.804 -15.345 16.289 1.00 0.00 C
1045
+ ATOM 1044 OE1 GLU A 130 -7.415 -15.756 17.406 1.00 0.00 O
1046
+ ATOM 1045 OE2 GLU A 130 -7.309 -14.346 15.722 1.00 0.00 O
1047
+ ATOM 1046 N ARG A 131 -11.613 -19.376 17.401 1.00 0.00 N
1048
+ ATOM 1047 CA ARG A 131 -11.849 -20.671 18.033 1.00 0.00 C
1049
+ ATOM 1048 C ARG A 131 -12.791 -21.526 17.193 1.00 0.00 C
1050
+ ATOM 1049 CB ARG A 131 -12.422 -20.486 19.439 1.00 0.00 C
1051
+ ATOM 1050 O ARG A 131 -12.747 -22.756 17.261 1.00 0.00 O
1052
+ ATOM 1051 CG ARG A 131 -11.409 -19.986 20.457 1.00 0.00 C
1053
+ ATOM 1052 CD ARG A 131 -12.025 -19.844 21.842 1.00 0.00 C
1054
+ ATOM 1053 NE ARG A 131 -11.258 -18.924 22.679 1.00 0.00 N
1055
+ ATOM 1054 NH1 ARG A 131 -12.688 -19.057 24.490 1.00 0.00 N
1056
+ ATOM 1055 NH2 ARG A 131 -10.824 -17.728 24.591 1.00 0.00 N
1057
+ ATOM 1056 CZ ARG A 131 -11.592 -18.572 23.918 1.00 0.00 C
1058
+ ATOM 1057 N ARG A 132 -13.516 -20.863 16.338 1.00 0.00 N
1059
+ ATOM 1058 CA ARG A 132 -14.423 -21.589 15.456 1.00 0.00 C
1060
+ ATOM 1059 C ARG A 132 -13.682 -22.141 14.243 1.00 0.00 C
1061
+ ATOM 1060 CB ARG A 132 -15.572 -20.685 15.003 1.00 0.00 C
1062
+ ATOM 1061 O ARG A 132 -13.947 -23.262 13.803 1.00 0.00 O
1063
+ ATOM 1062 CG ARG A 132 -16.572 -20.363 16.101 1.00 0.00 C
1064
+ ATOM 1063 CD ARG A 132 -17.726 -19.517 15.582 1.00 0.00 C
1065
+ ATOM 1064 NE ARG A 132 -18.712 -19.253 16.625 1.00 0.00 N
1066
+ ATOM 1065 NH1 ARG A 132 -20.058 -17.918 15.304 1.00 0.00 N
1067
+ ATOM 1066 NH2 ARG A 132 -20.630 -18.326 17.487 1.00 0.00 N
1068
+ ATOM 1067 CZ ARG A 132 -19.798 -18.500 16.470 1.00 0.00 C
1069
+ ATOM 1068 OXT ARG A 132 -13.073 -21.114 14.206 1.00 0.00 O
1070
+ TER 1069 ARG A 132
1071
+ END
6efk/6efk_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6efk/6efk_rdkit_ligand.pdb ADDED
@@ -0,0 +1,126 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6efk_ligand
2
+ HETATM 1 C1 UNL 1 -8.616 0.630 -0.264 1.00 0.00 C
3
+ HETATM 2 O1 UNL 1 -8.802 1.660 0.404 1.00 0.00 O
4
+ HETATM 3 C2 UNL 1 -9.876 -0.106 -0.638 1.00 0.00 C
5
+ HETATM 4 N1 UNL 1 -7.378 0.125 -0.664 1.00 0.00 N
6
+ HETATM 5 C3 UNL 1 -6.167 0.771 -0.235 1.00 0.00 C
7
+ HETATM 6 C4 UNL 1 -5.035 -0.247 -0.391 1.00 0.00 C
8
+ HETATM 7 O2 UNL 1 -5.327 -1.410 -0.622 1.00 0.00 O
9
+ HETATM 8 C5 UNL 1 -6.384 0.609 1.375 1.00 0.00 C
10
+ HETATM 9 C6 UNL 1 -5.373 1.400 2.125 1.00 0.00 C
11
+ HETATM 10 C7 UNL 1 -6.049 -0.876 1.712 1.00 0.00 C
12
+ HETATM 11 C8 UNL 1 -5.793 1.424 3.603 1.00 0.00 C
13
+ HETATM 12 N2 UNL 1 -3.720 0.200 -0.257 1.00 0.00 N
14
+ HETATM 13 C9 UNL 1 -2.657 -0.603 0.016 1.00 0.00 C
15
+ HETATM 14 C10 UNL 1 -1.349 -0.031 -0.373 1.00 0.00 C
16
+ HETATM 15 O3 UNL 1 -1.249 1.128 -0.886 1.00 0.00 O
17
+ HETATM 16 C11 UNL 1 -2.583 -2.049 -0.432 1.00 0.00 C
18
+ HETATM 17 C12 UNL 1 -2.726 -2.331 -1.858 1.00 0.00 C
19
+ HETATM 18 C13 UNL 1 -2.371 -1.297 -2.829 1.00 0.00 C
20
+ HETATM 19 O4 UNL 1 -3.098 -0.269 -2.914 1.00 0.00 O
21
+ HETATM 20 O5 UNL 1 -1.315 -1.380 -3.583 1.00 0.00 O
22
+ HETATM 21 N3 UNL 1 -0.165 -0.828 -0.315 1.00 0.00 N
23
+ HETATM 22 C14 UNL 1 1.107 -0.589 -0.807 1.00 0.00 C
24
+ HETATM 23 C15 UNL 1 2.208 0.028 -0.135 1.00 0.00 C
25
+ HETATM 24 O6 UNL 1 2.045 0.896 0.707 1.00 0.00 O
26
+ HETATM 25 C16 UNL 1 0.989 0.436 -2.022 1.00 0.00 C
27
+ HETATM 26 C17 UNL 1 0.114 -0.131 -3.079 1.00 0.00 C
28
+ HETATM 27 C18 UNL 1 0.730 -0.706 -4.298 1.00 0.00 C
29
+ HETATM 28 O7 UNL 1 0.838 -1.872 -4.645 1.00 0.00 O
30
+ HETATM 29 O8 UNL 1 1.173 0.291 -5.168 1.00 0.00 O
31
+ HETATM 30 N4 UNL 1 3.491 -0.441 -0.438 1.00 0.00 N
32
+ HETATM 31 C19 UNL 1 4.703 0.185 -0.187 1.00 0.00 C
33
+ HETATM 32 C20 UNL 1 5.744 -0.600 0.389 1.00 0.00 C
34
+ HETATM 33 O9 UNL 1 5.564 -1.823 0.614 1.00 0.00 O
35
+ HETATM 34 C21 UNL 1 4.619 1.622 0.150 1.00 0.00 C
36
+ HETATM 35 C22 UNL 1 3.820 2.423 -0.862 1.00 0.00 C
37
+ HETATM 36 C23 UNL 1 4.516 1.993 1.561 1.00 0.00 C
38
+ HETATM 37 N5 UNL 1 7.009 -0.042 0.796 1.00 0.00 N
39
+ HETATM 38 C24 UNL 1 8.122 -0.899 1.091 1.00 0.00 C
40
+ HETATM 39 C25 UNL 1 7.885 -2.066 1.952 1.00 0.00 C
41
+ HETATM 40 O10 UNL 1 6.847 -2.294 2.783 1.00 0.00 O
42
+ HETATM 41 C26 UNL 1 9.337 -0.152 1.504 1.00 0.00 C
43
+ HETATM 42 C27 UNL 1 9.166 0.540 2.781 1.00 0.00 C
44
+ HETATM 43 O11 UNL 1 9.218 -0.272 3.923 1.00 0.00 O
45
+ HETATM 44 O12 UNL 1 8.993 1.754 2.892 1.00 0.00 O
46
+ HETATM 45 O13 UNL 1 8.807 -2.955 1.880 1.00 0.00 O
47
+ HETATM 46 H1 UNL 1 -10.623 0.535 -1.102 1.00 0.00 H
48
+ HETATM 47 H2 UNL 1 -10.341 -0.476 0.363 1.00 0.00 H
49
+ HETATM 48 H3 UNL 1 -9.579 -1.050 -1.138 1.00 0.00 H
50
+ HETATM 49 H4 UNL 1 -7.353 -0.695 -1.358 1.00 0.00 H
51
+ HETATM 50 H5 UNL 1 -5.948 1.769 -0.346 1.00 0.00 H
52
+ HETATM 51 H6 UNL 1 -7.368 0.750 1.657 1.00 0.00 H
53
+ HETATM 52 H7 UNL 1 -4.389 0.850 2.155 1.00 0.00 H
54
+ HETATM 53 H8 UNL 1 -5.235 2.411 1.715 1.00 0.00 H
55
+ HETATM 54 H9 UNL 1 -6.596 -1.575 1.077 1.00 0.00 H
56
+ HETATM 55 H10 UNL 1 -4.966 -0.998 1.740 1.00 0.00 H
57
+ HETATM 56 H11 UNL 1 -6.466 -1.093 2.753 1.00 0.00 H
58
+ HETATM 57 H12 UNL 1 -6.609 2.248 3.689 1.00 0.00 H
59
+ HETATM 58 H13 UNL 1 -4.974 1.790 4.241 1.00 0.00 H
60
+ HETATM 59 H14 UNL 1 -6.280 0.526 3.914 1.00 0.00 H
61
+ HETATM 60 H15 UNL 1 -3.524 1.241 -0.500 1.00 0.00 H
62
+ HETATM 61 H16 UNL 1 -2.616 -0.747 1.177 1.00 0.00 H
63
+ HETATM 62 H17 UNL 1 -1.787 -2.562 0.094 1.00 0.00 H
64
+ HETATM 63 H18 UNL 1 -3.524 -2.621 0.067 1.00 0.00 H
65
+ HETATM 64 H19 UNL 1 -3.551 -2.841 -2.317 1.00 0.00 H
66
+ HETATM 65 H20 UNL 1 -1.807 -3.124 -2.069 1.00 0.00 H
67
+ HETATM 66 H21 UNL 1 -1.179 -0.560 -4.319 1.00 0.00 H
68
+ HETATM 67 H22 UNL 1 -0.179 -1.644 0.414 1.00 0.00 H
69
+ HETATM 68 H23 UNL 1 1.378 -1.518 -1.388 1.00 0.00 H
70
+ HETATM 69 H24 UNL 1 1.960 0.289 -2.591 1.00 0.00 H
71
+ HETATM 70 H25 UNL 1 0.772 1.422 -1.828 1.00 0.00 H
72
+ HETATM 71 H26 UNL 1 -0.269 -1.060 -2.410 1.00 0.00 H
73
+ HETATM 72 H27 UNL 1 -0.711 0.604 -3.272 1.00 0.00 H
74
+ HETATM 73 H28 UNL 1 1.709 0.112 -5.963 1.00 0.00 H
75
+ HETATM 74 H29 UNL 1 3.569 -1.399 -0.921 1.00 0.00 H
76
+ HETATM 75 H30 UNL 1 5.122 0.257 -1.322 1.00 0.00 H
77
+ HETATM 76 H31 UNL 1 5.702 1.986 -0.167 1.00 0.00 H
78
+ HETATM 77 H32 UNL 1 3.199 1.794 -1.533 1.00 0.00 H
79
+ HETATM 78 H33 UNL 1 3.093 3.108 -0.266 1.00 0.00 H
80
+ HETATM 79 H34 UNL 1 4.322 3.128 -1.506 1.00 0.00 H
81
+ HETATM 80 H35 UNL 1 4.399 1.058 2.202 1.00 0.00 H
82
+ HETATM 81 H36 UNL 1 5.448 2.453 1.975 1.00 0.00 H
83
+ HETATM 82 H37 UNL 1 3.719 2.737 1.760 1.00 0.00 H
84
+ HETATM 83 H38 UNL 1 7.063 0.983 0.897 1.00 0.00 H
85
+ HETATM 84 H39 UNL 1 8.341 -1.379 0.047 1.00 0.00 H
86
+ HETATM 85 H40 UNL 1 6.525 -3.219 2.972 1.00 0.00 H
87
+ HETATM 86 H41 UNL 1 9.542 0.618 0.712 1.00 0.00 H
88
+ HETATM 87 H42 UNL 1 10.185 -0.834 1.566 1.00 0.00 H
89
+ HETATM 88 H43 UNL 1 8.813 -0.008 4.777 1.00 0.00 H
90
+ CONECT 1 2 2 3 4
91
+ CONECT 3 46 47 48
92
+ CONECT 4 5 49
93
+ CONECT 5 6 8 50
94
+ CONECT 6 7 7 12
95
+ CONECT 8 9 10 51
96
+ CONECT 9 11 52 53
97
+ CONECT 10 54 55 56
98
+ CONECT 11 57 58 59
99
+ CONECT 12 13 60
100
+ CONECT 13 14 16 61
101
+ CONECT 14 15 15 21
102
+ CONECT 16 17 62 63
103
+ CONECT 17 18 64 65
104
+ CONECT 18 19 19 20
105
+ CONECT 20 66
106
+ CONECT 21 22 67
107
+ CONECT 22 23 25 68
108
+ CONECT 23 24 24 30
109
+ CONECT 25 26 69 70
110
+ CONECT 26 27 71 72
111
+ CONECT 27 28 28 29
112
+ CONECT 29 73
113
+ CONECT 30 31 74
114
+ CONECT 31 32 34 75
115
+ CONECT 32 33 33 37
116
+ CONECT 34 35 36 76
117
+ CONECT 35 77 78 79
118
+ CONECT 36 80 81 82
119
+ CONECT 37 38 83
120
+ CONECT 38 39 41 84
121
+ CONECT 39 40 45 45
122
+ CONECT 40 85
123
+ CONECT 41 42 86 87
124
+ CONECT 42 43 44 44
125
+ CONECT 43 88
126
+ END
6fcj/6fcj_ligand.mol2 ADDED
@@ -0,0 +1,80 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:13:22 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6fcj_ligand
7
+ 31 33 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 64.9080 34.6860 23.2450 C.2 1 D4W 0.0964
14
+ 2 C3 64.8070 33.8300 24.4590 C.ar 1 D4W 0.0337
15
+ 3 N6 65.5200 36.3180 21.8270 N.2 1 D4W -0.2113
16
+ 4 C7 65.9710 33.2370 24.9810 C.ar 1 D4W -0.0653
17
+ 5 C8 63.5840 33.6640 25.1530 C.ar 1 D4W 0.0948
18
+ 6 C9 64.5650 35.6320 21.2460 C.2 1 D4W -0.0089
19
+ 7 C10 67.9940 35.6920 24.0300 C.ar 1 D4W -0.0254
20
+ 8 C11 66.3220 37.0950 25.0650 C.ar 1 D4W 0.0753
21
+ 9 C12 65.9410 32.5200 26.1630 C.ar 1 D4W -0.0413
22
+ 10 C13 63.5520 32.9050 26.3210 C.ar 1 D4W -0.0020
23
+ 11 C14 68.9010 36.0630 25.0170 C.ar 1 D4W -0.0658
24
+ 12 C15 67.2420 37.4890 26.0310 C.ar 1 D4W -0.0519
25
+ 13 C16 64.7290 32.3470 26.8260 C.ar 1 D4W 0.0819
26
+ 14 N2 65.7570 35.7610 23.0930 N.pl3 1 D4W -0.1625
27
+ 15 C4 64.1610 34.6010 22.1000 C.2 1 D4W -0.0452
28
+ 16 C5 66.6960 36.2090 24.0430 C.ar 1 D4W 0.1235
29
+ 17 C17 68.5310 36.9680 26.0080 C.ar 1 D4W -0.0682
30
+ 18 CL1 64.7220 37.7550 25.1190 Cl 1 D4W -0.0740
31
+ 19 O19 62.4260 34.2030 24.6980 O.3 1 D4W -0.3318
32
+ 20 O20 64.7050 31.6240 27.9690 O.3 1 D4W -0.3341
33
+ 21 H1 66.9083 33.3441 24.4470 H 1 D4W 0.0575
34
+ 22 H2 64.1532 35.8329 20.2581 H 1 D4W 0.0655
35
+ 23 H3 68.2943 35.0014 23.2503 H 1 D4W 0.0585
36
+ 24 H4 66.8524 32.0967 26.5695 H 1 D4W 0.0465
37
+ 25 H5 62.6127 32.7473 26.8385 H 1 D4W 0.0468
38
+ 26 H6 69.9013 35.6453 25.0146 H 1 D4W 0.0601
39
+ 27 H7 66.9554 38.1990 26.7983 H 1 D4W 0.0605
40
+ 28 H8 63.3892 33.8615 21.8917 H 1 D4W 0.0318
41
+ 29 H9 69.2490 37.2671 26.7630 H 1 D4W 0.0557
42
+ 30 H10 61.8035 33.5081 24.5187 H 1 D4W 0.2502
43
+ 31 H11 64.1281 30.8774 27.8581 H 1 D4W 0.2491
44
+ @<TRIPOS>BOND
45
+ 1 1 2 1
46
+ 2 14 1 1
47
+ 3 1 15 2
48
+ 4 2 4 ar
49
+ 5 2 5 ar
50
+ 6 3 6 2
51
+ 7 14 3 1
52
+ 8 4 9 ar
53
+ 9 5 10 ar
54
+ 10 5 19 1
55
+ 11 6 15 1
56
+ 12 7 11 ar
57
+ 13 16 7 ar
58
+ 14 8 12 ar
59
+ 15 16 8 ar
60
+ 16 8 18 1
61
+ 17 9 13 ar
62
+ 18 10 13 ar
63
+ 19 11 17 ar
64
+ 20 12 17 ar
65
+ 21 13 20 1
66
+ 22 14 16 1
67
+ 23 4 21 1
68
+ 24 6 22 1
69
+ 25 7 23 1
70
+ 26 9 24 1
71
+ 27 10 25 1
72
+ 28 11 26 1
73
+ 29 12 27 1
74
+ 30 15 28 1
75
+ 31 17 29 1
76
+ 32 19 30 1
77
+ 33 20 31 1
78
+ @<TRIPOS>SUBSTRUCTURE
79
+ 1 D4W 1
80
+
6fcj/6fcj_ligand.sdf ADDED
@@ -0,0 +1,70 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6fcj_ligand
2
+ -I-interpret-
3
+
4
+ 31 33 0 0 0 0 0 0 0 0999 V2000
5
+ 64.9080 34.6860 23.2450 C 0 0 0 0 0
6
+ 64.8070 33.8300 24.4590 C 0 0 0 0 0
7
+ 65.5200 36.3180 21.8270 N 0 0 0 0 0
8
+ 65.9710 33.2370 24.9810 C 0 0 0 0 0
9
+ 63.5840 33.6640 25.1530 C 0 0 0 0 0
10
+ 64.5650 35.6320 21.2460 C 0 0 0 0 0
11
+ 67.9940 35.6920 24.0300 C 0 0 0 0 0
12
+ 66.3220 37.0950 25.0650 C 0 0 0 0 0
13
+ 65.9410 32.5200 26.1630 C 0 0 0 0 0
14
+ 63.5520 32.9050 26.3210 C 0 0 0 0 0
15
+ 68.9010 36.0630 25.0170 C 0 0 0 0 0
16
+ 67.2420 37.4890 26.0310 C 0 0 0 0 0
17
+ 64.7290 32.3470 26.8260 C 0 0 0 0 0
18
+ 65.7570 35.7610 23.0930 N 0 0 0 0 0
19
+ 64.1610 34.6010 22.1000 C 0 0 0 0 0
20
+ 66.6960 36.2090 24.0430 C 0 0 0 0 0
21
+ 68.5310 36.9680 26.0080 C 0 0 0 0 0
22
+ 64.7220 37.7550 25.1190 Cl 0 0 0 0 0
23
+ 62.4260 34.2030 24.6980 O 0 0 0 0 0
24
+ 64.7050 31.6240 27.9690 O 0 0 0 0 0
25
+ 66.9135 33.3446 24.4441 H 0 0 0 0 0
26
+ 64.1528 35.8330 20.2572 H 0 0 0 0 0
27
+ 68.2959 34.9976 23.2460 H 0 0 0 0 0
28
+ 66.8574 32.0943 26.5717 H 0 0 0 0 0
29
+ 62.6075 32.7464 26.8414 H 0 0 0 0 0
30
+ 69.9068 35.6429 25.0146 H 0 0 0 0 0
31
+ 66.9538 38.2030 26.8026 H 0 0 0 0 0
32
+ 63.3885 33.8608 21.8915 H 0 0 0 0 0
33
+ 69.2530 37.2687 26.7672 H 0 0 0 0 0
34
+ 61.7127 33.9819 25.3013 H 0 0 0 0 0
35
+ 63.8073 31.5928 28.3078 H 0 0 0 0 0
36
+ 1 2 1 0 0 0
37
+ 14 1 4 0 0 0
38
+ 1 15 4 0 0 0
39
+ 2 4 4 0 0 0
40
+ 2 5 4 0 0 0
41
+ 3 6 4 0 0 0
42
+ 14 3 4 0 0 0
43
+ 4 9 4 0 0 0
44
+ 5 10 4 0 0 0
45
+ 5 19 1 0 0 0
46
+ 6 15 4 0 0 0
47
+ 7 11 4 0 0 0
48
+ 16 7 4 0 0 0
49
+ 8 12 4 0 0 0
50
+ 16 8 4 0 0 0
51
+ 8 18 1 0 0 0
52
+ 9 13 4 0 0 0
53
+ 10 13 4 0 0 0
54
+ 11 17 4 0 0 0
55
+ 12 17 4 0 0 0
56
+ 13 20 1 0 0 0
57
+ 14 16 1 0 0 0
58
+ 4 21 1 0 0 0
59
+ 6 22 1 0 0 0
60
+ 7 23 1 0 0 0
61
+ 9 24 1 0 0 0
62
+ 10 25 1 0 0 0
63
+ 11 26 1 0 0 0
64
+ 12 27 1 0 0 0
65
+ 15 28 1 0 0 0
66
+ 17 29 1 0 0 0
67
+ 19 30 1 0 0 0
68
+ 20 31 1 0 0 0
69
+ M END
70
+ $$$$
6fcj/6fcj_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6fcj/6fcj_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6fcj/6fcj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6fcj/6fcj_rdkit_ligand.pdb ADDED
@@ -0,0 +1,51 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6fcj_ligand
2
+ HETATM 1 C1 UNL 1 -0.149 -1.628 -0.132 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -1.204 -0.716 0.280 1.00 0.00 C
4
+ HETATM 3 N1 UNL 1 1.804 -2.466 -0.703 1.00 0.00 N
5
+ HETATM 4 C3 UNL 1 -2.087 -1.021 1.296 1.00 0.00 C
6
+ HETATM 5 C4 UNL 1 -1.366 0.497 -0.347 1.00 0.00 C
7
+ HETATM 6 C5 UNL 1 0.954 -3.519 -0.741 1.00 0.00 C
8
+ HETATM 7 C6 UNL 1 1.701 0.634 0.927 1.00 0.00 C
9
+ HETATM 8 C7 UNL 1 2.647 0.373 -1.238 1.00 0.00 C
10
+ HETATM 9 C8 UNL 1 -3.096 -0.157 1.681 1.00 0.00 C
11
+ HETATM 10 C9 UNL 1 -2.372 1.381 0.024 1.00 0.00 C
12
+ HETATM 11 C10 UNL 1 2.379 1.838 1.028 1.00 0.00 C
13
+ HETATM 12 C11 UNL 1 3.313 1.578 -1.112 1.00 0.00 C
14
+ HETATM 13 C12 UNL 1 -3.224 1.032 1.040 1.00 0.00 C
15
+ HETATM 14 N2 UNL 1 1.148 -1.359 -0.343 1.00 0.00 N
16
+ HETATM 15 C13 UNL 1 -0.265 -2.987 -0.383 1.00 0.00 C
17
+ HETATM 16 C14 UNL 1 1.832 -0.119 -0.224 1.00 0.00 C
18
+ HETATM 17 C15 UNL 1 3.186 2.331 0.031 1.00 0.00 C
19
+ HETATM 18 CL1 UNL 1 2.832 -0.559 -2.710 1.00 0.00 CL
20
+ HETATM 19 O1 UNL 1 -0.536 0.917 -1.389 1.00 0.00 O
21
+ HETATM 20 O2 UNL 1 -4.254 1.909 1.437 1.00 0.00 O
22
+ HETATM 21 H1 UNL 1 -1.963 -1.969 1.786 1.00 0.00 H
23
+ HETATM 22 H2 UNL 1 1.239 -4.522 -1.003 1.00 0.00 H
24
+ HETATM 23 H3 UNL 1 1.066 0.257 1.726 1.00 0.00 H
25
+ HETATM 24 H4 UNL 1 -3.790 -0.393 2.478 1.00 0.00 H
26
+ HETATM 25 H5 UNL 1 -2.494 2.348 -0.481 1.00 0.00 H
27
+ HETATM 26 H6 UNL 1 2.238 2.390 1.961 1.00 0.00 H
28
+ HETATM 27 H7 UNL 1 3.949 1.971 -1.894 1.00 0.00 H
29
+ HETATM 28 H8 UNL 1 -1.170 -3.570 -0.315 1.00 0.00 H
30
+ HETATM 29 H9 UNL 1 3.679 3.277 0.189 1.00 0.00 H
31
+ HETATM 30 H10 UNL 1 -0.835 0.784 -2.341 1.00 0.00 H
32
+ HETATM 31 H11 UNL 1 -5.165 1.471 1.608 1.00 0.00 H
33
+ CONECT 1 2 14 15 15
34
+ CONECT 2 4 4 5
35
+ CONECT 3 6 6 14
36
+ CONECT 4 9 21
37
+ CONECT 5 10 10 19
38
+ CONECT 6 15 22
39
+ CONECT 7 11 11 16 23
40
+ CONECT 8 12 16 16 18
41
+ CONECT 9 13 13 24
42
+ CONECT 10 13 25
43
+ CONECT 11 17 26
44
+ CONECT 12 17 17 27
45
+ CONECT 13 20
46
+ CONECT 14 16
47
+ CONECT 15 28
48
+ CONECT 17 29
49
+ CONECT 19 30
50
+ CONECT 20 31
51
+ END
6fe5/6fe5_ligand.mol2 ADDED
@@ -0,0 +1,91 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:13:23 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6fe5_ligand
7
+ 38 37 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 OE1 13.1030 46.9940 39.8140 O.co2 1 D6E -0.5690
14
+ 2 CD 13.8640 47.5640 40.6240 C.2 1 D6E 0.0350
15
+ 3 OE2 13.8560 48.7940 40.8410 O.co2 1 D6E -0.5690
16
+ 4 CG 15.0650 46.7920 41.1590 C.3 1 D6E 0.0038
17
+ 5 CB 14.8010 45.2630 41.3540 C.3 1 D6E -0.0066
18
+ 6 CA 16.1530 44.5590 41.6920 C.3 1 D6E 0.0962
19
+ 7 C 17.1090 44.6850 40.4570 C.2 1 D6E 0.0600
20
+ 8 OXT 16.9800 43.8240 39.5470 O.co2 1 D6E -0.5666
21
+ 9 O 17.9920 45.5850 40.4310 O.co2 1 D6E -0.5666
22
+ 10 N 16.8350 45.2030 42.8170 N.am 1 D6E -0.2575
23
+ 11 CAR 18.0990 44.8640 43.1620 C.2 1 D6E 0.2608
24
+ 12 OAF 18.5930 43.8100 42.7300 O.2 1 D6E -0.4006
25
+ 13 NAN 18.6780 45.6370 44.0590 N.am 1 D6E -0.2576
26
+ 14 CAU 20.0620 45.4250 44.5220 C.3 1 D6E 0.0949
27
+ 15 CAQ 20.2220 46.0070 45.9090 C.2 1 D6E 0.0599
28
+ 16 OAI 19.7790 47.1630 46.1180 O.co2 1 D6E -0.5666
29
+ 17 OAE 20.7420 45.2280 46.7370 O.co2 1 D6E -0.5666
30
+ 18 CAL 20.9430 46.1700 43.4770 C.3 1 D6E -0.0158
31
+ 19 CAS 22.4100 46.2990 43.9050 C.3 1 D6E -0.0431
32
+ 20 CAB 23.1790 47.1410 42.8670 C.3 1 D6E -0.0625
33
+ 21 CAA 23.0390 44.8840 43.9490 C.3 1 D6E -0.0625
34
+ 22 H1 15.3472 47.2213 42.1317 H 1 D6E 0.0432
35
+ 23 H2 15.8974 46.9118 40.4499 H 1 D6E 0.0432
36
+ 24 H3 14.3843 44.8386 40.4287 H 1 D6E 0.0323
37
+ 25 H4 14.0894 45.1128 42.1793 H 1 D6E 0.0323
38
+ 26 H5 15.9653 43.5007 41.9261 H 1 D6E 0.0724
39
+ 27 H6 16.3567 45.9078 43.3410 H 1 D6E 0.1869
40
+ 28 H7 18.1566 46.3996 44.4418 H 1 D6E 0.1869
41
+ 29 H8 20.3111 44.3538 44.5416 H 1 D6E 0.0723
42
+ 30 H9 20.5319 47.1796 43.3295 H 1 D6E 0.0308
43
+ 31 H10 20.9034 45.6157 42.5277 H 1 D6E 0.0308
44
+ 32 H11 22.4721 46.7735 44.8955 H 1 D6E 0.0297
45
+ 33 H12 24.2308 47.2324 43.1757 H 1 D6E 0.0232
46
+ 34 H13 22.7282 48.1421 42.8004 H 1 D6E 0.0232
47
+ 35 H14 23.1267 46.6491 41.8845 H 1 D6E 0.0232
48
+ 36 H15 22.5029 44.2672 44.6853 H 1 D6E 0.0232
49
+ 37 H16 24.0976 44.9621 44.2375 H 1 D6E 0.0232
50
+ 38 H17 22.9631 44.4179 42.9555 H 1 D6E 0.0232
51
+ @<TRIPOS>BOND
52
+ 1 1 2 ar
53
+ 2 2 3 ar
54
+ 3 2 4 1
55
+ 4 4 5 1
56
+ 5 5 6 1
57
+ 6 6 7 1
58
+ 7 6 10 1
59
+ 8 7 8 ar
60
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61
+ 10 10 11 am
62
+ 11 11 12 2
63
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64
+ 13 13 14 1
65
+ 14 14 15 1
66
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67
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68
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69
+ 18 18 19 1
70
+ 19 19 20 1
71
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72
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73
+ 22 4 23 1
74
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75
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76
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77
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78
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79
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80
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81
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82
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83
+ 32 20 33 1
84
+ 33 20 34 1
85
+ 34 20 35 1
86
+ 35 21 36 1
87
+ 36 21 37 1
88
+ 37 21 38 1
89
+ @<TRIPOS>SUBSTRUCTURE
90
+ 1 D6E 1
91
+
6fe5/6fe5_ligand.sdf ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6fe5_ligand
2
+ -I-interpret-
3
+
4
+ 41 40 0 0 0 0 0 0 0 0999 V2000
5
+ 13.1030 46.9940 39.8140 O 0 0 0 0 0
6
+ 13.8640 47.5640 40.6240 C 0 0 0 0 0
7
+ 13.8560 48.7940 40.8410 O 0 0 0 0 0
8
+ 15.0650 46.7920 41.1590 C 0 0 0 0 0
9
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10
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11
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12
+ 16.9800 43.8240 39.5470 O 0 0 0 0 0
13
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14
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15
+ 18.0990 44.8640 43.1620 C 0 0 0 0 0
16
+ 18.5930 43.8100 42.7300 O 0 0 0 0 0
17
+ 18.6780 45.6370 44.0590 N 0 0 0 0 0
18
+ 20.0620 45.4250 44.5220 C 0 0 0 0 0
19
+ 20.2220 46.0070 45.9090 C 0 0 0 0 0
20
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21
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22
+ 20.9430 46.1700 43.4770 C 0 0 0 0 0
23
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24
+ 23.1790 47.1410 42.8670 C 0 0 0 0 0
25
+ 23.0390 44.8840 43.9490 C 0 0 0 0 0
26
+ 13.2868 46.0518 39.8126 H 0 0 0 0 0
27
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+ M END
87
+ $$$$
6fe5/6fe5_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6fe5/6fe5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6fe5/6fe5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6fe5/6fe5_rdkit_ligand.pdb ADDED
@@ -0,0 +1,60 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6fe5_ligand
2
+ HETATM 1 O1 UNL 1 6.152 0.372 2.369 1.00 0.00 O
3
+ HETATM 2 C1 UNL 1 6.069 0.439 1.001 1.00 0.00 C
4
+ HETATM 3 O2 UNL 1 6.910 -0.130 0.281 1.00 0.00 O
5
+ HETATM 4 C2 UNL 1 4.930 1.221 0.401 1.00 0.00 C
6
+ HETATM 5 C3 UNL 1 3.848 0.287 -0.059 1.00 0.00 C
7
+ HETATM 6 C4 UNL 1 2.680 1.033 -0.636 1.00 0.00 C
8
+ HETATM 7 C5 UNL 1 2.985 1.861 -1.807 1.00 0.00 C
9
+ HETATM 8 O3 UNL 1 2.390 1.644 -2.915 1.00 0.00 O
10
+ HETATM 9 O4 UNL 1 3.897 2.885 -1.778 1.00 0.00 O
11
+ HETATM 10 N1 UNL 1 1.592 0.083 -0.953 1.00 0.00 N
12
+ HETATM 11 C6 UNL 1 0.354 0.116 -0.256 1.00 0.00 C
13
+ HETATM 12 O5 UNL 1 0.230 0.990 0.639 1.00 0.00 O
14
+ HETATM 13 N2 UNL 1 -0.706 -0.754 -0.511 1.00 0.00 N
15
+ HETATM 14 C7 UNL 1 -2.000 -0.717 0.219 1.00 0.00 C
16
+ HETATM 15 C8 UNL 1 -2.164 -1.948 1.001 1.00 0.00 C
17
+ HETATM 16 O6 UNL 1 -3.162 -2.233 1.904 1.00 0.00 O
18
+ HETATM 17 O7 UNL 1 -1.298 -2.880 0.855 1.00 0.00 O
19
+ HETATM 18 C9 UNL 1 -3.079 -0.466 -0.757 1.00 0.00 C
20
+ HETATM 19 C10 UNL 1 -4.479 -0.381 -0.315 1.00 0.00 C
21
+ HETATM 20 C11 UNL 1 -4.685 0.716 0.727 1.00 0.00 C
22
+ HETATM 21 C12 UNL 1 -5.212 -1.623 0.008 1.00 0.00 C
23
+ HETATM 22 H1 UNL 1 6.738 -0.318 2.863 1.00 0.00 H
24
+ HETATM 23 H2 UNL 1 4.559 1.940 1.158 1.00 0.00 H
25
+ HETATM 24 H3 UNL 1 5.326 1.844 -0.435 1.00 0.00 H
26
+ HETATM 25 H4 UNL 1 3.486 -0.277 0.829 1.00 0.00 H
27
+ HETATM 26 H5 UNL 1 4.277 -0.426 -0.806 1.00 0.00 H
28
+ HETATM 27 H6 UNL 1 2.279 1.681 0.195 1.00 0.00 H
29
+ HETATM 28 H7 UNL 1 3.768 3.738 -2.343 1.00 0.00 H
30
+ HETATM 29 H8 UNL 1 1.703 -0.639 -1.698 1.00 0.00 H
31
+ HETATM 30 H9 UNL 1 -0.627 -1.483 -1.245 1.00 0.00 H
32
+ HETATM 31 H10 UNL 1 -1.862 0.133 0.951 1.00 0.00 H
33
+ HETATM 32 H11 UNL 1 -3.298 -3.179 2.290 1.00 0.00 H
34
+ HETATM 33 H12 UNL 1 -2.833 0.515 -1.282 1.00 0.00 H
35
+ HETATM 34 H13 UNL 1 -2.963 -1.207 -1.613 1.00 0.00 H
36
+ HETATM 35 H14 UNL 1 -5.030 0.086 -1.234 1.00 0.00 H
37
+ HETATM 36 H15 UNL 1 -4.165 0.457 1.666 1.00 0.00 H
38
+ HETATM 37 H16 UNL 1 -4.325 1.651 0.263 1.00 0.00 H
39
+ HETATM 38 H17 UNL 1 -5.763 0.862 0.935 1.00 0.00 H
40
+ HETATM 39 H18 UNL 1 -4.716 -2.574 -0.247 1.00 0.00 H
41
+ HETATM 40 H19 UNL 1 -5.632 -1.647 1.057 1.00 0.00 H
42
+ HETATM 41 H20 UNL 1 -6.175 -1.673 -0.610 1.00 0.00 H
43
+ CONECT 1 2 22
44
+ CONECT 2 3 3 4
45
+ CONECT 4 5 23 24
46
+ CONECT 5 6 25 26
47
+ CONECT 6 7 10 27
48
+ CONECT 7 8 8 9
49
+ CONECT 9 28
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+ CONECT 10 11 29
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+ CONECT 11 12 12 13
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+ CONECT 13 14 30
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+ CONECT 14 15 18 31
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+ CONECT 15 16 17 17
55
+ CONECT 16 32
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+ CONECT 18 19 33 34
57
+ CONECT 19 20 21 35
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+ CONECT 20 36 37 38
59
+ CONECT 21 39 40 41
60
+ END
6ffe/6ffe_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:13:23 2021
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 6ffe_ligand
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+ 45 48 1 0 0
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+
6ffe/6ffe_ligand.sdf ADDED
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1
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+ M END
101
+ $$$$