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THU-ATOM
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PDBbind

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linbc20 commited on
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1 Parent(s): 9c504ed

Add batch 198

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  1. 1a4k/1a4k_ligand.mol2 +125 -0
  2. 1a4k/1a4k_ligand.sdf +117 -0
  3. 1a4k/1a4k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1a4k/1a4k_protein_processed_fix.pdb +0 -0
  5. 1au0/1au0_ligand.mol2 +189 -0
  6. 1au0/1au0_ligand.sdf +179 -0
  7. 1au0/1au0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1au0/1au0_protein_processed_fix.pdb +0 -0
  9. 1g1e/1g1e_ligand.mol2 +566 -0
  10. 1g1e/1g1e_ligand.sdf +560 -0
  11. 1g1e/1g1e_protein_esmfold_aligned_tr_fix.pdb +736 -0
  12. 1g1e/1g1e_protein_processed_fix.pdb +0 -0
  13. 1jrs/1jrs_ligand.mol2 +157 -0
  14. 1jrs/1jrs_ligand.sdf +145 -0
  15. 1jrs/1jrs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1jrs/1jrs_protein_processed_fix.pdb +0 -0
  17. 1oko/1oko_protein_esmfold_aligned_tr_fix.pdb +904 -0
  18. 1oko/1oko_protein_processed_fix.pdb +0 -0
  19. 1qca/1qca_ligand.mol2 +187 -0
  20. 1qca/1qca_ligand.sdf +179 -0
  21. 1qca/1qca_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 1qca/1qca_protein_processed_fix.pdb +0 -0
  23. 1rhu/1rhu_ligand.mol2 +177 -0
  24. 1rhu/1rhu_ligand.sdf +171 -0
  25. 1rhu/1rhu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1rhu/1rhu_protein_processed_fix.pdb +0 -0
  27. 1v2r/1v2r_ligand.mol2 +127 -0
  28. 1v2r/1v2r_ligand.sdf +115 -0
  29. 1v2r/1v2r_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1v2r/1v2r_protein_processed_fix.pdb +0 -0
  31. 1wkm/1wkm_ligand.mol2 +55 -0
  32. 1wkm/1wkm_ligand.sdf +47 -0
  33. 1wkm/1wkm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1wkm/1wkm_protein_processed_fix.pdb +0 -0
  35. 1y8o/1y8o_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1y8o/1y8o_protein_processed_fix.pdb +0 -0
  37. 2b4l/2b4l_ligand.mol2 +53 -0
  38. 2b4l/2b4l_ligand.sdf +45 -0
  39. 2b4l/2b4l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2b4l/2b4l_protein_processed_fix.pdb +0 -0
  41. 2b53/2b53_ligand.mol2 +108 -0
  42. 2b53/2b53_ligand.sdf +98 -0
  43. 2b53/2b53_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2b53/2b53_protein_processed_fix.pdb +0 -0
  45. 2b8l/2b8l_ligand.mol2 +179 -0
  46. 2b8l/2b8l_ligand.sdf +169 -0
  47. 2b8l/2b8l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2b8l/2b8l_protein_processed_fix.pdb +0 -0
  49. 2c1p/2c1p_ligand.mol2 +96 -0
  50. 2c1p/2c1p_ligand.sdf +86 -0
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1a4k/1a4k_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a4k/1a4k_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1au0/1au0_ligand.mol2 ADDED
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101
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102
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109
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110
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118
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120
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121
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122
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130
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136
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137
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138
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139
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151
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153
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155
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171
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+ M END
560
+ $$$$
1g1e/1g1e_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,736 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N SER A 1 12.939 17.075 -9.945 1.00 0.00 N
3
+ ATOM 2 CA SER A 1 12.560 16.320 -11.136 1.00 0.00 C
4
+ ATOM 3 C SER A 1 11.656 15.144 -10.780 1.00 0.00 C
5
+ ATOM 4 CB SER A 1 13.803 15.814 -11.869 1.00 0.00 C
6
+ ATOM 5 O SER A 1 12.076 14.223 -10.076 1.00 0.00 O
7
+ ATOM 6 OG SER A 1 14.010 14.435 -11.616 1.00 0.00 O
8
+ ATOM 7 N LEU A 2 10.550 15.318 -10.131 1.00 0.00 N
9
+ ATOM 8 CA LEU A 2 9.611 14.515 -9.355 1.00 0.00 C
10
+ ATOM 9 C LEU A 2 8.720 13.682 -10.271 1.00 0.00 C
11
+ ATOM 10 CB LEU A 2 8.748 15.411 -8.462 1.00 0.00 C
12
+ ATOM 11 O LEU A 2 8.107 12.708 -9.830 1.00 0.00 O
13
+ ATOM 12 CG LEU A 2 9.385 15.877 -7.152 1.00 0.00 C
14
+ ATOM 13 CD1 LEU A 2 8.723 17.163 -6.669 1.00 0.00 C
15
+ ATOM 14 CD2 LEU A 2 9.283 14.787 -6.091 1.00 0.00 C
16
+ ATOM 15 N GLN A 3 8.906 13.746 -11.671 1.00 0.00 N
17
+ ATOM 16 CA GLN A 3 8.213 13.009 -12.722 1.00 0.00 C
18
+ ATOM 17 C GLN A 3 9.075 11.866 -13.253 1.00 0.00 C
19
+ ATOM 18 CB GLN A 3 7.819 13.944 -13.867 1.00 0.00 C
20
+ ATOM 19 O GLN A 3 8.553 10.874 -13.766 1.00 0.00 O
21
+ ATOM 20 CG GLN A 3 6.461 14.606 -13.680 1.00 0.00 C
22
+ ATOM 21 CD GLN A 3 5.988 15.338 -14.922 1.00 0.00 C
23
+ ATOM 22 NE2 GLN A 3 4.712 15.705 -14.946 1.00 0.00 N
24
+ ATOM 23 OE1 GLN A 3 6.765 15.572 -15.853 1.00 0.00 O
25
+ ATOM 24 N ASN A 4 10.429 11.847 -12.940 1.00 0.00 N
26
+ ATOM 25 CA ASN A 4 11.206 10.797 -13.591 1.00 0.00 C
27
+ ATOM 26 C ASN A 4 11.433 9.609 -12.661 1.00 0.00 C
28
+ ATOM 27 CB ASN A 4 12.544 11.348 -14.086 1.00 0.00 C
29
+ ATOM 28 O ASN A 4 11.660 8.489 -13.123 1.00 0.00 O
30
+ ATOM 29 CG ASN A 4 12.557 11.597 -15.581 1.00 0.00 C
31
+ ATOM 30 ND2 ASN A 4 13.639 12.188 -16.075 1.00 0.00 N
32
+ ATOM 31 OD1 ASN A 4 11.602 11.262 -16.287 1.00 0.00 O
33
+ ATOM 32 N ASN A 5 11.184 9.789 -11.313 1.00 0.00 N
34
+ ATOM 33 CA ASN A 5 11.312 8.582 -10.504 1.00 0.00 C
35
+ ATOM 34 C ASN A 5 9.975 7.861 -10.357 1.00 0.00 C
36
+ ATOM 35 CB ASN A 5 11.890 8.916 -9.127 1.00 0.00 C
37
+ ATOM 36 O ASN A 5 9.920 6.743 -9.841 1.00 0.00 O
38
+ ATOM 37 CG ASN A 5 13.406 8.909 -9.113 1.00 0.00 C
39
+ ATOM 38 ND2 ASN A 5 13.990 9.426 -8.039 1.00 0.00 N
40
+ ATOM 39 OD1 ASN A 5 14.046 8.443 -10.060 1.00 0.00 O
41
+ ATOM 40 N GLN A 6 8.847 8.455 -10.856 1.00 0.00 N
42
+ ATOM 41 CA GLN A 6 7.555 7.819 -10.617 1.00 0.00 C
43
+ ATOM 42 C GLN A 6 7.468 6.470 -11.325 1.00 0.00 C
44
+ ATOM 43 CB GLN A 6 6.415 8.728 -11.078 1.00 0.00 C
45
+ ATOM 44 O GLN A 6 6.995 5.489 -10.746 1.00 0.00 O
46
+ ATOM 45 CG GLN A 6 6.161 9.912 -10.154 1.00 0.00 C
47
+ ATOM 46 CD GLN A 6 4.727 10.402 -10.209 1.00 0.00 C
48
+ ATOM 47 NE2 GLN A 6 4.379 11.322 -9.315 1.00 0.00 N
49
+ ATOM 48 OE1 GLN A 6 3.936 9.957 -11.048 1.00 0.00 O
50
+ ATOM 49 N PRO A 7 8.067 6.408 -12.538 1.00 0.00 N
51
+ ATOM 50 CA PRO A 7 7.884 5.065 -13.093 1.00 0.00 C
52
+ ATOM 51 C PRO A 7 8.643 3.996 -12.310 1.00 0.00 C
53
+ ATOM 52 CB PRO A 7 8.433 5.194 -14.515 1.00 0.00 C
54
+ ATOM 53 O PRO A 7 8.110 2.909 -12.068 1.00 0.00 O
55
+ ATOM 54 CG PRO A 7 8.737 6.648 -14.678 1.00 0.00 C
56
+ ATOM 55 CD PRO A 7 8.620 7.312 -13.336 1.00 0.00 C
57
+ ATOM 56 N VAL A 8 9.893 4.291 -11.938 1.00 0.00 N
58
+ ATOM 57 CA VAL A 8 10.646 3.287 -11.193 1.00 0.00 C
59
+ ATOM 58 C VAL A 8 9.941 2.989 -9.872 1.00 0.00 C
60
+ ATOM 59 CB VAL A 8 12.098 3.745 -10.932 1.00 0.00 C
61
+ ATOM 60 O VAL A 8 9.816 1.827 -9.476 1.00 0.00 O
62
+ ATOM 61 CG1 VAL A 8 12.852 2.704 -10.107 1.00 0.00 C
63
+ ATOM 62 CG2 VAL A 8 12.819 4.010 -12.252 1.00 0.00 C
64
+ ATOM 63 N GLU A 9 9.352 4.063 -9.341 1.00 0.00 N
65
+ ATOM 64 CA GLU A 9 8.656 3.821 -8.081 1.00 0.00 C
66
+ ATOM 65 C GLU A 9 7.398 2.984 -8.297 1.00 0.00 C
67
+ ATOM 66 CB GLU A 9 8.297 5.146 -7.403 1.00 0.00 C
68
+ ATOM 67 O GLU A 9 7.098 2.090 -7.504 1.00 0.00 O
69
+ ATOM 68 CG GLU A 9 9.489 5.867 -6.793 1.00 0.00 C
70
+ ATOM 69 CD GLU A 9 9.105 7.126 -6.032 1.00 0.00 C
71
+ ATOM 70 OE1 GLU A 9 7.911 7.501 -6.042 1.00 0.00 O
72
+ ATOM 71 OE2 GLU A 9 10.005 7.743 -5.420 1.00 0.00 O
73
+ ATOM 72 N PHE A 10 6.861 3.226 -9.508 1.00 0.00 N
74
+ ATOM 73 CA PHE A 10 5.641 2.468 -9.757 1.00 0.00 C
75
+ ATOM 74 C PHE A 10 5.951 0.989 -9.953 1.00 0.00 C
76
+ ATOM 75 CB PHE A 10 4.907 3.017 -10.985 1.00 0.00 C
77
+ ATOM 76 O PHE A 10 5.285 0.128 -9.376 1.00 0.00 O
78
+ ATOM 77 CG PHE A 10 3.610 2.314 -11.284 1.00 0.00 C
79
+ ATOM 78 CD1 PHE A 10 2.492 2.518 -10.483 1.00 0.00 C
80
+ ATOM 79 CD2 PHE A 10 3.509 1.447 -12.364 1.00 0.00 C
81
+ ATOM 80 CE1 PHE A 10 1.291 1.868 -10.756 1.00 0.00 C
82
+ ATOM 81 CE2 PHE A 10 2.313 0.795 -12.643 1.00 0.00 C
83
+ ATOM 82 CZ PHE A 10 1.205 1.005 -11.838 1.00 0.00 C
84
+ ATOM 83 N ASN A 11 6.985 0.771 -10.881 1.00 0.00 N
85
+ ATOM 84 CA ASN A 11 7.331 -0.629 -11.103 1.00 0.00 C
86
+ ATOM 85 C ASN A 11 7.770 -1.309 -9.810 1.00 0.00 C
87
+ ATOM 86 CB ASN A 11 8.427 -0.748 -12.164 1.00 0.00 C
88
+ ATOM 87 O ASN A 11 7.435 -2.471 -9.570 1.00 0.00 O
89
+ ATOM 88 CG ASN A 11 7.921 -0.447 -13.561 1.00 0.00 C
90
+ ATOM 89 ND2 ASN A 11 8.817 0.009 -14.431 1.00 0.00 N
91
+ ATOM 90 OD1 ASN A 11 6.737 -0.621 -13.857 1.00 0.00 O
92
+ ATOM 91 N HIS A 12 8.412 -0.544 -9.097 1.00 0.00 N
93
+ ATOM 92 CA HIS A 12 8.835 -1.089 -7.812 1.00 0.00 C
94
+ ATOM 93 C HIS A 12 7.636 -1.382 -6.917 1.00 0.00 C
95
+ ATOM 94 CB HIS A 12 9.792 -0.124 -7.110 1.00 0.00 C
96
+ ATOM 95 O HIS A 12 7.586 -2.425 -6.261 1.00 0.00 O
97
+ ATOM 96 CG HIS A 12 10.636 -0.774 -6.060 1.00 0.00 C
98
+ ATOM 97 CD2 HIS A 12 10.689 -2.057 -5.630 1.00 0.00 C
99
+ ATOM 98 ND1 HIS A 12 11.565 -0.080 -5.316 1.00 0.00 N
100
+ ATOM 99 CE1 HIS A 12 12.154 -0.910 -4.472 1.00 0.00 C
101
+ ATOM 100 NE2 HIS A 12 11.641 -2.116 -4.642 1.00 0.00 N
102
+ ATOM 101 N ALA A 13 6.763 -0.499 -6.924 1.00 0.00 N
103
+ ATOM 102 CA ALA A 13 5.568 -0.671 -6.102 1.00 0.00 C
104
+ ATOM 103 C ALA A 13 4.754 -1.877 -6.563 1.00 0.00 C
105
+ ATOM 104 CB ALA A 13 4.710 0.592 -6.140 1.00 0.00 C
106
+ ATOM 105 O ALA A 13 4.298 -2.677 -5.742 1.00 0.00 O
107
+ ATOM 106 N ILE A 14 4.585 -1.984 -7.875 1.00 0.00 N
108
+ ATOM 107 CA ILE A 14 3.802 -3.092 -8.409 1.00 0.00 C
109
+ ATOM 108 C ILE A 14 4.493 -4.415 -8.086 1.00 0.00 C
110
+ ATOM 109 CB ILE A 14 3.594 -2.954 -9.934 1.00 0.00 C
111
+ ATOM 110 O ILE A 14 3.837 -5.391 -7.716 1.00 0.00 O
112
+ ATOM 111 CG1 ILE A 14 2.566 -1.857 -10.236 1.00 0.00 C
113
+ ATOM 112 CG2 ILE A 14 3.164 -4.291 -10.544 1.00 0.00 C
114
+ ATOM 113 CD1 ILE A 14 2.425 -1.532 -11.717 1.00 0.00 C
115
+ ATOM 114 N ASN A 15 5.795 -4.409 -8.266 1.00 0.00 N
116
+ ATOM 115 CA ASN A 15 6.548 -5.618 -7.944 1.00 0.00 C
117
+ ATOM 116 C ASN A 15 6.386 -6.003 -6.477 1.00 0.00 C
118
+ ATOM 117 CB ASN A 15 8.028 -5.435 -8.286 1.00 0.00 C
119
+ ATOM 118 O ASN A 15 6.274 -7.187 -6.151 1.00 0.00 O
120
+ ATOM 119 CG ASN A 15 8.292 -5.470 -9.778 1.00 0.00 C
121
+ ATOM 120 ND2 ASN A 15 9.426 -4.918 -10.192 1.00 0.00 N
122
+ ATOM 121 OD1 ASN A 15 7.482 -5.986 -10.552 1.00 0.00 O
123
+ ATOM 122 N TYR A 16 6.382 -5.055 -5.671 1.00 0.00 N
124
+ ATOM 123 CA TYR A 16 6.233 -5.292 -4.240 1.00 0.00 C
125
+ ATOM 124 C TYR A 16 4.856 -5.863 -3.921 1.00 0.00 C
126
+ ATOM 125 CB TYR A 16 6.455 -3.996 -3.454 1.00 0.00 C
127
+ ATOM 126 O TYR A 16 4.740 -6.849 -3.189 1.00 0.00 O
128
+ ATOM 127 CG TYR A 16 6.337 -4.165 -1.958 1.00 0.00 C
129
+ ATOM 128 CD1 TYR A 16 7.268 -4.919 -1.247 1.00 0.00 C
130
+ ATOM 129 CD2 TYR A 16 5.294 -3.573 -1.254 1.00 0.00 C
131
+ ATOM 130 CE1 TYR A 16 7.161 -5.079 0.131 1.00 0.00 C
132
+ ATOM 131 CE2 TYR A 16 5.177 -3.726 0.123 1.00 0.00 C
133
+ ATOM 132 OH TYR A 16 6.004 -4.635 2.170 1.00 0.00 O
134
+ ATOM 133 CZ TYR A 16 6.115 -4.479 0.806 1.00 0.00 C
135
+ ATOM 134 N VAL A 17 3.841 -5.214 -4.438 1.00 0.00 N
136
+ ATOM 135 CA VAL A 17 2.481 -5.690 -4.208 1.00 0.00 C
137
+ ATOM 136 C VAL A 17 2.349 -7.133 -4.691 1.00 0.00 C
138
+ ATOM 137 CB VAL A 17 1.440 -4.794 -4.917 1.00 0.00 C
139
+ ATOM 138 O VAL A 17 1.731 -7.964 -4.022 1.00 0.00 O
140
+ ATOM 139 CG1 VAL A 17 0.059 -5.448 -4.890 1.00 0.00 C
141
+ ATOM 140 CG2 VAL A 17 1.393 -3.414 -4.264 1.00 0.00 C
142
+ ATOM 141 N ASN A 18 2.964 -7.406 -5.827 1.00 0.00 N
143
+ ATOM 142 CA ASN A 18 2.927 -8.771 -6.342 1.00 0.00 C
144
+ ATOM 143 C ASN A 18 3.677 -9.735 -5.427 1.00 0.00 C
145
+ ATOM 144 CB ASN A 18 3.503 -8.826 -7.758 1.00 0.00 C
146
+ ATOM 145 O ASN A 18 3.263 -10.883 -5.255 1.00 0.00 O
147
+ ATOM 146 CG ASN A 18 2.564 -8.240 -8.794 1.00 0.00 C
148
+ ATOM 147 ND2 ASN A 18 3.127 -7.722 -9.880 1.00 0.00 N
149
+ ATOM 148 OD1 ASN A 18 1.343 -8.252 -8.620 1.00 0.00 O
150
+ ATOM 149 N LYS A 19 4.773 -9.301 -4.922 1.00 0.00 N
151
+ ATOM 150 CA LYS A 19 5.517 -10.120 -3.968 1.00 0.00 C
152
+ ATOM 151 C LYS A 19 4.658 -10.476 -2.759 1.00 0.00 C
153
+ ATOM 152 CB LYS A 19 6.785 -9.395 -3.515 1.00 0.00 C
154
+ ATOM 153 O LYS A 19 4.658 -11.622 -2.306 1.00 0.00 O
155
+ ATOM 154 CG LYS A 19 7.697 -10.237 -2.634 1.00 0.00 C
156
+ ATOM 155 CD LYS A 19 8.917 -9.448 -2.177 1.00 0.00 C
157
+ ATOM 156 CE LYS A 19 9.952 -9.323 -3.288 1.00 0.00 C
158
+ ATOM 157 NZ LYS A 19 11.164 -8.578 -2.834 1.00 0.00 N
159
+ ATOM 158 N ILE A 20 3.930 -9.538 -2.318 1.00 0.00 N
160
+ ATOM 159 CA ILE A 20 3.050 -9.756 -1.175 1.00 0.00 C
161
+ ATOM 160 C ILE A 20 1.945 -10.740 -1.554 1.00 0.00 C
162
+ ATOM 161 CB ILE A 20 2.439 -8.430 -0.672 1.00 0.00 C
163
+ ATOM 162 O ILE A 20 1.632 -11.655 -0.790 1.00 0.00 O
164
+ ATOM 163 CG1 ILE A 20 3.533 -7.517 -0.107 1.00 0.00 C
165
+ ATOM 164 CG2 ILE A 20 1.355 -8.700 0.377 1.00 0.00 C
166
+ ATOM 165 CD1 ILE A 20 3.021 -6.176 0.399 1.00 0.00 C
167
+ ATOM 166 N LYS A 21 1.333 -10.497 -2.694 1.00 0.00 N
168
+ ATOM 167 CA LYS A 21 0.281 -11.387 -3.176 1.00 0.00 C
169
+ ATOM 168 C LYS A 21 0.777 -12.827 -3.264 1.00 0.00 C
170
+ ATOM 169 CB LYS A 21 -0.231 -10.924 -4.540 1.00 0.00 C
171
+ ATOM 170 O LYS A 21 0.092 -13.754 -2.827 1.00 0.00 O
172
+ ATOM 171 CG LYS A 21 -1.468 -11.667 -5.022 1.00 0.00 C
173
+ ATOM 172 CD LYS A 21 -1.974 -11.111 -6.347 1.00 0.00 C
174
+ ATOM 173 CE LYS A 21 -3.216 -11.850 -6.826 1.00 0.00 C
175
+ ATOM 174 NZ LYS A 21 -3.738 -11.283 -8.106 1.00 0.00 N
176
+ ATOM 175 N ASN A 22 2.006 -12.998 -3.749 1.00 0.00 N
177
+ ATOM 176 CA ASN A 22 2.579 -14.329 -3.918 1.00 0.00 C
178
+ ATOM 177 C ASN A 22 2.941 -14.958 -2.575 1.00 0.00 C
179
+ ATOM 178 CB ASN A 22 3.809 -14.273 -4.826 1.00 0.00 C
180
+ ATOM 179 O ASN A 22 2.718 -16.152 -2.364 1.00 0.00 O
181
+ ATOM 180 CG ASN A 22 3.450 -14.044 -6.281 1.00 0.00 C
182
+ ATOM 181 ND2 ASN A 22 4.392 -13.506 -7.047 1.00 0.00 N
183
+ ATOM 182 OD1 ASN A 22 2.335 -14.348 -6.714 1.00 0.00 O
184
+ ATOM 183 N ARG A 23 3.529 -14.186 -1.759 1.00 0.00 N
185
+ ATOM 184 CA ARG A 23 3.958 -14.691 -0.459 1.00 0.00 C
186
+ ATOM 185 C ARG A 23 2.763 -15.143 0.374 1.00 0.00 C
187
+ ATOM 186 CB ARG A 23 4.751 -13.625 0.298 1.00 0.00 C
188
+ ATOM 187 O ARG A 23 2.841 -16.141 1.093 1.00 0.00 O
189
+ ATOM 188 CG ARG A 23 5.294 -14.097 1.638 1.00 0.00 C
190
+ ATOM 189 CD ARG A 23 6.509 -14.998 1.469 1.00 0.00 C
191
+ ATOM 190 NE ARG A 23 7.527 -14.377 0.625 1.00 0.00 N
192
+ ATOM 191 NH1 ARG A 23 9.103 -14.192 2.305 1.00 0.00 N
193
+ ATOM 192 NH2 ARG A 23 9.584 -13.453 0.188 1.00 0.00 N
194
+ ATOM 193 CZ ARG A 23 8.735 -14.009 1.041 1.00 0.00 C
195
+ ATOM 194 N PHE A 24 1.644 -14.429 0.240 1.00 0.00 N
196
+ ATOM 195 CA PHE A 24 0.502 -14.730 1.096 1.00 0.00 C
197
+ ATOM 196 C PHE A 24 -0.618 -15.384 0.294 1.00 0.00 C
198
+ ATOM 197 CB PHE A 24 -0.014 -13.459 1.776 1.00 0.00 C
199
+ ATOM 198 O PHE A 24 -1.795 -15.232 0.624 1.00 0.00 O
200
+ ATOM 199 CG PHE A 24 0.913 -12.917 2.831 1.00 0.00 C
201
+ ATOM 200 CD1 PHE A 24 1.100 -13.597 4.028 1.00 0.00 C
202
+ ATOM 201 CD2 PHE A 24 1.597 -11.725 2.626 1.00 0.00 C
203
+ ATOM 202 CE1 PHE A 24 1.956 -13.099 5.006 1.00 0.00 C
204
+ ATOM 203 CE2 PHE A 24 2.455 -11.221 3.599 1.00 0.00 C
205
+ ATOM 204 CZ PHE A 24 2.633 -11.908 4.788 1.00 0.00 C
206
+ ATOM 205 N GLN A 25 -0.406 -16.086 -0.728 1.00 0.00 N
207
+ ATOM 206 CA GLN A 25 -1.405 -16.784 -1.529 1.00 0.00 C
208
+ ATOM 207 C GLN A 25 -2.204 -17.767 -0.677 1.00 0.00 C
209
+ ATOM 208 CB GLN A 25 -0.742 -17.520 -2.694 1.00 0.00 C
210
+ ATOM 209 O GLN A 25 -3.414 -17.917 -0.863 1.00 0.00 O
211
+ ATOM 210 CG GLN A 25 -1.729 -18.059 -3.722 1.00 0.00 C
212
+ ATOM 211 CD GLN A 25 -1.043 -18.732 -4.896 1.00 0.00 C
213
+ ATOM 212 NE2 GLN A 25 -1.832 -19.176 -5.869 1.00 0.00 N
214
+ ATOM 213 OE1 GLN A 25 0.185 -18.854 -4.929 1.00 0.00 O
215
+ ATOM 214 N GLY A 26 -1.566 -18.335 0.303 1.00 0.00 N
216
+ ATOM 215 CA GLY A 26 -2.233 -19.279 1.187 1.00 0.00 C
217
+ ATOM 216 C GLY A 26 -2.957 -18.608 2.339 1.00 0.00 C
218
+ ATOM 217 O GLY A 26 -3.622 -19.275 3.133 1.00 0.00 O
219
+ ATOM 218 N GLN A 27 -2.716 -17.345 2.438 1.00 0.00 N
220
+ ATOM 219 CA GLN A 27 -3.337 -16.549 3.492 1.00 0.00 C
221
+ ATOM 220 C GLN A 27 -3.958 -15.276 2.925 1.00 0.00 C
222
+ ATOM 221 CB GLN A 27 -2.315 -16.198 4.574 1.00 0.00 C
223
+ ATOM 222 O GLN A 27 -3.464 -14.174 3.173 1.00 0.00 O
224
+ ATOM 223 CG GLN A 27 -1.704 -17.412 5.260 1.00 0.00 C
225
+ ATOM 224 CD GLN A 27 -0.624 -17.040 6.259 1.00 0.00 C
226
+ ATOM 225 NE2 GLN A 27 0.445 -17.828 6.298 1.00 0.00 N
227
+ ATOM 226 OE1 GLN A 27 -0.749 -16.052 6.990 1.00 0.00 O
228
+ ATOM 227 N PRO A 28 -5.079 -15.397 2.241 1.00 0.00 N
229
+ ATOM 228 CA PRO A 28 -5.667 -14.251 1.543 1.00 0.00 C
230
+ ATOM 229 C PRO A 28 -6.113 -13.145 2.498 1.00 0.00 C
231
+ ATOM 230 CB PRO A 28 -6.869 -14.862 0.815 1.00 0.00 C
232
+ ATOM 231 O PRO A 28 -6.270 -11.994 2.083 1.00 0.00 O
233
+ ATOM 232 CG PRO A 28 -7.192 -16.102 1.586 1.00 0.00 C
234
+ ATOM 233 CD PRO A 28 -5.913 -16.681 2.116 1.00 0.00 C
235
+ ATOM 234 N ASP A 29 -6.368 -13.486 3.767 1.00 0.00 N
236
+ ATOM 235 CA ASP A 29 -6.801 -12.477 4.729 1.00 0.00 C
237
+ ATOM 236 C ASP A 29 -5.702 -11.446 4.975 1.00 0.00 C
238
+ ATOM 237 CB ASP A 29 -7.210 -13.135 6.048 1.00 0.00 C
239
+ ATOM 238 O ASP A 29 -5.988 -10.266 5.188 1.00 0.00 O
240
+ ATOM 239 CG ASP A 29 -8.493 -13.941 5.937 1.00 0.00 C
241
+ ATOM 240 OD1 ASP A 29 -9.319 -13.651 5.045 1.00 0.00 O
242
+ ATOM 241 OD2 ASP A 29 -8.680 -14.871 6.750 1.00 0.00 O
243
+ ATOM 242 N ILE A 30 -4.499 -11.936 4.962 1.00 0.00 N
244
+ ATOM 243 CA ILE A 30 -3.378 -11.033 5.200 1.00 0.00 C
245
+ ATOM 244 C ILE A 30 -3.229 -10.074 4.020 1.00 0.00 C
246
+ ATOM 245 CB ILE A 30 -2.064 -11.811 5.429 1.00 0.00 C
247
+ ATOM 246 O ILE A 30 -3.037 -8.871 4.210 1.00 0.00 O
248
+ ATOM 247 CG1 ILE A 30 -2.123 -12.582 6.752 1.00 0.00 C
249
+ ATOM 248 CG2 ILE A 30 -0.862 -10.862 5.401 1.00 0.00 C
250
+ ATOM 249 CD1 ILE A 30 -0.867 -13.388 7.055 1.00 0.00 C
251
+ ATOM 250 N TYR A 31 -3.281 -10.607 2.809 1.00 0.00 N
252
+ ATOM 251 CA TYR A 31 -3.193 -9.779 1.611 1.00 0.00 C
253
+ ATOM 252 C TYR A 31 -4.320 -8.753 1.574 1.00 0.00 C
254
+ ATOM 253 CB TYR A 31 -3.238 -10.650 0.352 1.00 0.00 C
255
+ ATOM 254 O TYR A 31 -4.083 -7.572 1.312 1.00 0.00 O
256
+ ATOM 255 CG TYR A 31 -3.174 -9.862 -0.933 1.00 0.00 C
257
+ ATOM 256 CD1 TYR A 31 -2.072 -9.064 -1.230 1.00 0.00 C
258
+ ATOM 257 CD2 TYR A 31 -4.217 -9.911 -1.854 1.00 0.00 C
259
+ ATOM 258 CE1 TYR A 31 -2.008 -8.333 -2.412 1.00 0.00 C
260
+ ATOM 259 CE2 TYR A 31 -4.165 -9.186 -3.039 1.00 0.00 C
261
+ ATOM 260 OH TYR A 31 -3.002 -7.681 -4.481 1.00 0.00 O
262
+ ATOM 261 CZ TYR A 31 -3.058 -8.401 -3.309 1.00 0.00 C
263
+ ATOM 262 N LYS A 32 -5.539 -9.243 1.828 1.00 0.00 N
264
+ ATOM 263 CA LYS A 32 -6.701 -8.359 1.842 1.00 0.00 C
265
+ ATOM 264 C LYS A 32 -6.543 -7.258 2.886 1.00 0.00 C
266
+ ATOM 265 CB LYS A 32 -7.979 -9.157 2.109 1.00 0.00 C
267
+ ATOM 266 O LYS A 32 -6.877 -6.099 2.630 1.00 0.00 O
268
+ ATOM 267 CG LYS A 32 -9.258 -8.352 1.933 1.00 0.00 C
269
+ ATOM 268 CD LYS A 32 -10.495 -9.215 2.151 1.00 0.00 C
270
+ ATOM 269 CE LYS A 32 -11.775 -8.397 2.038 1.00 0.00 C
271
+ ATOM 270 NZ LYS A 32 -12.988 -9.230 2.287 1.00 0.00 N
272
+ ATOM 271 N ALA A 33 -6.047 -7.618 4.046 1.00 0.00 N
273
+ ATOM 272 CA ALA A 33 -5.824 -6.642 5.110 1.00 0.00 C
274
+ ATOM 273 C ALA A 33 -4.800 -5.593 4.686 1.00 0.00 C
275
+ ATOM 274 CB ALA A 33 -5.366 -7.343 6.387 1.00 0.00 C
276
+ ATOM 275 O ALA A 33 -4.975 -4.403 4.955 1.00 0.00 O
277
+ ATOM 276 N PHE A 34 -3.755 -6.045 4.048 1.00 0.00 N
278
+ ATOM 277 CA PHE A 34 -2.729 -5.140 3.546 1.00 0.00 C
279
+ ATOM 278 C PHE A 34 -3.329 -4.123 2.582 1.00 0.00 C
280
+ ATOM 279 CB PHE A 34 -1.610 -5.924 2.855 1.00 0.00 C
281
+ ATOM 280 O PHE A 34 -3.087 -2.922 2.709 1.00 0.00 O
282
+ ATOM 281 CG PHE A 34 -0.587 -5.052 2.178 1.00 0.00 C
283
+ ATOM 282 CD1 PHE A 34 0.331 -4.325 2.925 1.00 0.00 C
284
+ ATOM 283 CD2 PHE A 34 -0.544 -4.959 0.793 1.00 0.00 C
285
+ ATOM 284 CE1 PHE A 34 1.279 -3.518 2.302 1.00 0.00 C
286
+ ATOM 285 CE2 PHE A 34 0.401 -4.153 0.162 1.00 0.00 C
287
+ ATOM 286 CZ PHE A 34 1.311 -3.433 0.918 1.00 0.00 C
288
+ ATOM 287 N LEU A 35 -4.169 -4.607 1.659 1.00 0.00 N
289
+ ATOM 288 CA LEU A 35 -4.790 -3.716 0.686 1.00 0.00 C
290
+ ATOM 289 C LEU A 35 -5.727 -2.728 1.372 1.00 0.00 C
291
+ ATOM 290 CB LEU A 35 -5.561 -4.523 -0.364 1.00 0.00 C
292
+ ATOM 291 O LEU A 35 -5.809 -1.565 0.975 1.00 0.00 O
293
+ ATOM 292 CG LEU A 35 -4.719 -5.367 -1.321 1.00 0.00 C
294
+ ATOM 293 CD1 LEU A 35 -5.619 -6.105 -2.308 1.00 0.00 C
295
+ ATOM 294 CD2 LEU A 35 -3.710 -4.495 -2.059 1.00 0.00 C
296
+ ATOM 295 N GLU A 36 -6.384 -3.205 2.411 1.00 0.00 N
297
+ ATOM 296 CA GLU A 36 -7.300 -2.335 3.145 1.00 0.00 C
298
+ ATOM 297 C GLU A 36 -6.548 -1.209 3.849 1.00 0.00 C
299
+ ATOM 298 CB GLU A 36 -8.110 -3.143 4.163 1.00 0.00 C
300
+ ATOM 299 O GLU A 36 -7.008 -0.066 3.869 1.00 0.00 O
301
+ ATOM 300 CG GLU A 36 -9.217 -3.981 3.541 1.00 0.00 C
302
+ ATOM 301 CD GLU A 36 -9.962 -4.836 4.553 1.00 0.00 C
303
+ ATOM 302 OE1 GLU A 36 -9.557 -4.865 5.738 1.00 0.00 O
304
+ ATOM 303 OE2 GLU A 36 -10.958 -5.483 4.158 1.00 0.00 O
305
+ ATOM 304 N ILE A 37 -5.383 -1.533 4.399 1.00 0.00 N
306
+ ATOM 305 CA ILE A 37 -4.563 -0.520 5.052 1.00 0.00 C
307
+ ATOM 306 C ILE A 37 -4.165 0.552 4.039 1.00 0.00 C
308
+ ATOM 307 CB ILE A 37 -3.304 -1.141 5.698 1.00 0.00 C
309
+ ATOM 308 O ILE A 37 -4.288 1.748 4.312 1.00 0.00 O
310
+ ATOM 309 CG1 ILE A 37 -3.690 -1.976 6.924 1.00 0.00 C
311
+ ATOM 310 CG2 ILE A 37 -2.296 -0.050 6.073 1.00 0.00 C
312
+ ATOM 311 CD1 ILE A 37 -2.586 -2.901 7.416 1.00 0.00 C
313
+ ATOM 312 N LEU A 38 -3.727 0.124 2.856 1.00 0.00 N
314
+ ATOM 313 CA LEU A 38 -3.310 1.060 1.818 1.00 0.00 C
315
+ ATOM 314 C LEU A 38 -4.484 1.918 1.356 1.00 0.00 C
316
+ ATOM 315 CB LEU A 38 -2.713 0.309 0.626 1.00 0.00 C
317
+ ATOM 316 O LEU A 38 -4.335 3.125 1.154 1.00 0.00 O
318
+ ATOM 317 CG LEU A 38 -1.372 -0.386 0.865 1.00 0.00 C
319
+ ATOM 318 CD1 LEU A 38 -0.889 -1.062 -0.414 1.00 0.00 C
320
+ ATOM 319 CD2 LEU A 38 -0.336 0.611 1.372 1.00 0.00 C
321
+ ATOM 320 N HIS A 39 -5.605 1.250 1.155 1.00 0.00 N
322
+ ATOM 321 CA HIS A 39 -6.804 1.959 0.721 1.00 0.00 C
323
+ ATOM 322 C HIS A 39 -7.214 3.019 1.739 1.00 0.00 C
324
+ ATOM 323 CB HIS A 39 -7.954 0.978 0.494 1.00 0.00 C
325
+ ATOM 324 O HIS A 39 -7.520 4.155 1.369 1.00 0.00 O
326
+ ATOM 325 CG HIS A 39 -9.186 1.617 -0.064 1.00 0.00 C
327
+ ATOM 326 CD2 HIS A 39 -10.373 1.917 0.516 1.00 0.00 C
328
+ ATOM 327 ND1 HIS A 39 -9.285 2.023 -1.377 1.00 0.00 N
329
+ ATOM 328 CE1 HIS A 39 -10.482 2.547 -1.581 1.00 0.00 C
330
+ ATOM 329 NE2 HIS A 39 -11.161 2.495 -0.448 1.00 0.00 N
331
+ ATOM 330 N THR A 40 -7.224 2.677 3.020 1.00 0.00 N
332
+ ATOM 331 CA THR A 40 -7.586 3.611 4.080 1.00 0.00 C
333
+ ATOM 332 C THR A 40 -6.618 4.789 4.118 1.00 0.00 C
334
+ ATOM 333 CB THR A 40 -7.607 2.915 5.454 1.00 0.00 C
335
+ ATOM 334 O THR A 40 -7.035 5.938 4.272 1.00 0.00 O
336
+ ATOM 335 CG2 THR A 40 -7.956 3.901 6.564 1.00 0.00 C
337
+ ATOM 336 OG1 THR A 40 -8.584 1.866 5.437 1.00 0.00 O
338
+ ATOM 337 N TYR A 41 -5.366 4.497 3.973 1.00 0.00 N
339
+ ATOM 338 CA TYR A 41 -4.349 5.543 3.983 1.00 0.00 C
340
+ ATOM 339 C TYR A 41 -4.554 6.515 2.827 1.00 0.00 C
341
+ ATOM 340 CB TYR A 41 -2.947 4.932 3.908 1.00 0.00 C
342
+ ATOM 341 O TYR A 41 -4.513 7.732 3.017 1.00 0.00 O
343
+ ATOM 342 CG TYR A 41 -1.840 5.956 3.856 1.00 0.00 C
344
+ ATOM 343 CD1 TYR A 41 -1.570 6.776 4.950 1.00 0.00 C
345
+ ATOM 344 CD2 TYR A 41 -1.062 6.108 2.714 1.00 0.00 C
346
+ ATOM 345 CE1 TYR A 41 -0.552 7.723 4.906 1.00 0.00 C
347
+ ATOM 346 CE2 TYR A 41 -0.041 7.051 2.659 1.00 0.00 C
348
+ ATOM 347 OH TYR A 41 1.215 8.788 3.708 1.00 0.00 O
349
+ ATOM 348 CZ TYR A 41 0.206 7.852 3.758 1.00 0.00 C
350
+ ATOM 349 N GLN A 42 -4.760 5.947 1.665 1.00 0.00 N
351
+ ATOM 350 CA GLN A 42 -4.969 6.777 0.483 1.00 0.00 C
352
+ ATOM 351 C GLN A 42 -6.181 7.688 0.658 1.00 0.00 C
353
+ ATOM 352 CB GLN A 42 -5.142 5.906 -0.762 1.00 0.00 C
354
+ ATOM 353 O GLN A 42 -6.133 8.868 0.304 1.00 0.00 O
355
+ ATOM 354 CG GLN A 42 -5.200 6.698 -2.063 1.00 0.00 C
356
+ ATOM 355 CD GLN A 42 -5.419 5.815 -3.276 1.00 0.00 C
357
+ ATOM 356 NE2 GLN A 42 -4.603 6.010 -4.306 1.00 0.00 N
358
+ ATOM 357 OE1 GLN A 42 -6.314 4.963 -3.288 1.00 0.00 O
359
+ ATOM 358 N LYS A 43 -7.249 7.130 1.156 1.00 0.00 N
360
+ ATOM 359 CA LYS A 43 -8.456 7.916 1.396 1.00 0.00 C
361
+ ATOM 360 C LYS A 43 -8.190 9.042 2.391 1.00 0.00 C
362
+ ATOM 361 CB LYS A 43 -9.587 7.022 1.906 1.00 0.00 C
363
+ ATOM 362 O LYS A 43 -8.645 10.171 2.196 1.00 0.00 O
364
+ ATOM 363 CG LYS A 43 -10.901 7.754 2.133 1.00 0.00 C
365
+ ATOM 364 CD LYS A 43 -11.989 6.811 2.632 1.00 0.00 C
366
+ ATOM 365 CE LYS A 43 -13.277 7.558 2.948 1.00 0.00 C
367
+ ATOM 366 NZ LYS A 43 -14.343 6.638 3.444 1.00 0.00 N
368
+ ATOM 367 N GLU A 44 -7.470 8.741 3.424 1.00 0.00 N
369
+ ATOM 368 CA GLU A 44 -7.137 9.744 4.432 1.00 0.00 C
370
+ ATOM 369 C GLU A 44 -6.285 10.862 3.838 1.00 0.00 C
371
+ ATOM 370 CB GLU A 44 -6.409 9.098 5.612 1.00 0.00 C
372
+ ATOM 371 O GLU A 44 -6.465 12.033 4.177 1.00 0.00 O
373
+ ATOM 372 CG GLU A 44 -7.308 8.254 6.504 1.00 0.00 C
374
+ ATOM 373 CD GLU A 44 -8.345 9.072 7.258 1.00 0.00 C
375
+ ATOM 374 OE1 GLU A 44 -7.984 10.121 7.838 1.00 0.00 O
376
+ ATOM 375 OE2 GLU A 44 -9.526 8.661 7.269 1.00 0.00 O
377
+ ATOM 376 N GLN A 45 -5.331 10.461 3.002 1.00 0.00 N
378
+ ATOM 377 CA GLN A 45 -4.488 11.455 2.347 1.00 0.00 C
379
+ ATOM 378 C GLN A 45 -5.316 12.376 1.455 1.00 0.00 C
380
+ ATOM 379 CB GLN A 45 -3.392 10.774 1.526 1.00 0.00 C
381
+ ATOM 380 O GLN A 45 -5.097 13.589 1.432 1.00 0.00 O
382
+ ATOM 381 CG GLN A 45 -2.323 10.094 2.370 1.00 0.00 C
383
+ ATOM 382 CD GLN A 45 -1.535 11.074 3.220 1.00 0.00 C
384
+ ATOM 383 NE2 GLN A 45 -1.260 10.693 4.463 1.00 0.00 N
385
+ ATOM 384 OE1 GLN A 45 -1.176 12.164 2.762 1.00 0.00 O
386
+ ATOM 385 N ARG A 46 -6.248 11.884 0.764 1.00 0.00 N
387
+ ATOM 386 CA ARG A 46 -7.111 12.690 -0.094 1.00 0.00 C
388
+ ATOM 387 C ARG A 46 -7.963 13.648 0.732 1.00 0.00 C
389
+ ATOM 388 CB ARG A 46 -8.009 11.792 -0.948 1.00 0.00 C
390
+ ATOM 389 O ARG A 46 -8.107 14.820 0.378 1.00 0.00 O
391
+ ATOM 390 CG ARG A 46 -7.289 11.131 -2.113 1.00 0.00 C
392
+ ATOM 391 CD ARG A 46 -8.266 10.488 -3.087 1.00 0.00 C
393
+ ATOM 392 NE ARG A 46 -9.092 9.476 -2.435 1.00 0.00 N
394
+ ATOM 393 NH1 ARG A 46 -8.081 7.681 -3.479 1.00 0.00 N
395
+ ATOM 394 NH2 ARG A 46 -9.787 7.334 -1.988 1.00 0.00 N
396
+ ATOM 395 CZ ARG A 46 -8.984 8.166 -2.636 1.00 0.00 C
397
+ ATOM 396 N ASN A 47 -8.533 13.107 1.811 1.00 0.00 N
398
+ ATOM 397 CA ASN A 47 -9.349 13.941 2.686 1.00 0.00 C
399
+ ATOM 398 C ASN A 47 -8.537 15.086 3.286 1.00 0.00 C
400
+ ATOM 399 CB ASN A 47 -9.979 13.097 3.796 1.00 0.00 C
401
+ ATOM 400 O ASN A 47 -9.034 16.207 3.406 1.00 0.00 O
402
+ ATOM 401 CG ASN A 47 -11.092 12.202 3.289 1.00 0.00 C
403
+ ATOM 402 ND2 ASN A 47 -11.443 11.189 4.074 1.00 0.00 N
404
+ ATOM 403 OD1 ASN A 47 -11.632 12.417 2.200 1.00 0.00 O
405
+ ATOM 404 N ALA A 48 -7.328 14.771 3.705 1.00 0.00 N
406
+ ATOM 405 CA ALA A 48 -6.449 15.784 4.282 1.00 0.00 C
407
+ ATOM 406 C ALA A 48 -6.175 16.906 3.285 1.00 0.00 C
408
+ ATOM 407 CB ALA A 48 -5.137 15.151 4.741 1.00 0.00 C
409
+ ATOM 408 O ALA A 48 -6.154 18.083 3.654 1.00 0.00 O
410
+ ATOM 409 N LYS A 49 -5.972 16.557 2.088 1.00 0.00 N
411
+ ATOM 410 CA LYS A 49 -5.699 17.545 1.046 1.00 0.00 C
412
+ ATOM 411 C LYS A 49 -6.925 18.413 0.778 1.00 0.00 C
413
+ ATOM 412 CB LYS A 49 -5.253 16.855 -0.243 1.00 0.00 C
414
+ ATOM 413 O LYS A 49 -6.802 19.623 0.577 1.00 0.00 O
415
+ ATOM 414 CG LYS A 49 -3.815 16.361 -0.215 1.00 0.00 C
416
+ ATOM 415 CD LYS A 49 -3.421 15.709 -1.535 1.00 0.00 C
417
+ ATOM 416 CE LYS A 49 -2.006 15.148 -1.482 1.00 0.00 C
418
+ ATOM 417 NZ LYS A 49 -1.630 14.475 -2.761 1.00 0.00 N
419
+ ATOM 418 N GLU A 50 -8.085 17.790 0.789 1.00 0.00 N
420
+ ATOM 419 CA GLU A 50 -9.327 18.490 0.476 1.00 0.00 C
421
+ ATOM 420 C GLU A 50 -9.758 19.391 1.629 1.00 0.00 C
422
+ ATOM 421 CB GLU A 50 -10.439 17.490 0.146 1.00 0.00 C
423
+ ATOM 422 O GLU A 50 -10.325 20.464 1.407 1.00 0.00 O
424
+ ATOM 423 CG GLU A 50 -10.257 16.785 -1.190 1.00 0.00 C
425
+ ATOM 424 CD GLU A 50 -11.320 15.735 -1.466 1.00 0.00 C
426
+ ATOM 425 OE1 GLU A 50 -12.257 15.591 -0.646 1.00 0.00 O
427
+ ATOM 426 OE2 GLU A 50 -11.217 15.050 -2.507 1.00 0.00 O
428
+ ATOM 427 N ALA A 51 -9.641 18.934 2.864 1.00 0.00 N
429
+ ATOM 428 CA ALA A 51 -10.132 19.648 4.040 1.00 0.00 C
430
+ ATOM 429 C ALA A 51 -9.275 20.875 4.334 1.00 0.00 C
431
+ ATOM 430 CB ALA A 51 -10.161 18.719 5.252 1.00 0.00 C
432
+ ATOM 431 O ALA A 51 -9.752 21.845 4.927 1.00 0.00 O
433
+ ATOM 432 N GLY A 52 -8.020 20.897 3.804 1.00 0.00 N
434
+ ATOM 433 CA GLY A 52 -7.225 22.053 4.188 1.00 0.00 C
435
+ ATOM 434 C GLY A 52 -6.735 21.991 5.622 1.00 0.00 C
436
+ ATOM 435 O GLY A 52 -6.877 20.964 6.288 1.00 0.00 O
437
+ ATOM 436 N GLY A 53 -5.588 22.717 6.206 1.00 0.00 N
438
+ ATOM 437 CA GLY A 53 -4.653 22.749 7.319 1.00 0.00 C
439
+ ATOM 438 C GLY A 53 -5.265 22.285 8.627 1.00 0.00 C
440
+ ATOM 439 O GLY A 53 -4.546 22.000 9.588 1.00 0.00 O
441
+ ATOM 440 N ASN A 54 -6.622 22.021 8.729 1.00 0.00 N
442
+ ATOM 441 CA ASN A 54 -7.167 21.590 10.012 1.00 0.00 C
443
+ ATOM 442 C ASN A 54 -7.499 20.100 10.008 1.00 0.00 C
444
+ ATOM 443 CB ASN A 54 -8.408 22.410 10.370 1.00 0.00 C
445
+ ATOM 444 O ASN A 54 -8.128 19.599 10.941 1.00 0.00 O
446
+ ATOM 445 CG ASN A 54 -8.065 23.795 10.882 1.00 0.00 C
447
+ ATOM 446 ND2 ASN A 54 -9.048 24.687 10.883 1.00 0.00 N
448
+ ATOM 447 OD1 ASN A 54 -6.925 24.061 11.273 1.00 0.00 O
449
+ ATOM 448 N TYR A 55 -7.069 19.356 9.041 1.00 0.00 N
450
+ ATOM 449 CA TYR A 55 -7.361 17.926 9.012 1.00 0.00 C
451
+ ATOM 450 C TYR A 55 -6.208 17.123 9.601 1.00 0.00 C
452
+ ATOM 451 CB TYR A 55 -7.640 17.463 7.579 1.00 0.00 C
453
+ ATOM 452 O TYR A 55 -5.048 17.328 9.234 1.00 0.00 O
454
+ ATOM 453 CG TYR A 55 -7.903 15.982 7.460 1.00 0.00 C
455
+ ATOM 454 CD1 TYR A 55 -6.894 15.106 7.066 1.00 0.00 C
456
+ ATOM 455 CD2 TYR A 55 -9.159 15.456 7.741 1.00 0.00 C
457
+ ATOM 456 CE1 TYR A 55 -7.131 13.739 6.953 1.00 0.00 C
458
+ ATOM 457 CE2 TYR A 55 -9.408 14.091 7.631 1.00 0.00 C
459
+ ATOM 458 OH TYR A 55 -8.630 11.892 7.128 1.00 0.00 O
460
+ ATOM 459 CZ TYR A 55 -8.389 13.243 7.238 1.00 0.00 C
461
+ ATOM 460 N THR A 56 -6.407 16.415 10.719 1.00 0.00 N
462
+ ATOM 461 CA THR A 56 -5.465 15.452 11.278 1.00 0.00 C
463
+ ATOM 462 C THR A 56 -5.717 14.057 10.712 1.00 0.00 C
464
+ ATOM 463 CB THR A 56 -5.556 15.408 12.814 1.00 0.00 C
465
+ ATOM 464 O THR A 56 -6.788 13.483 10.915 1.00 0.00 O
466
+ ATOM 465 CG2 THR A 56 -4.441 14.553 13.408 1.00 0.00 C
467
+ ATOM 466 OG1 THR A 56 -5.448 16.740 13.332 1.00 0.00 O
468
+ ATOM 467 N PRO A 57 -4.888 13.598 9.944 1.00 0.00 N
469
+ ATOM 468 CA PRO A 57 -5.140 12.267 9.386 1.00 0.00 C
470
+ ATOM 469 C PRO A 57 -5.301 11.196 10.463 1.00 0.00 C
471
+ ATOM 470 CB PRO A 57 -3.898 12.001 8.533 1.00 0.00 C
472
+ ATOM 471 O PRO A 57 -4.614 11.237 11.487 1.00 0.00 O
473
+ ATOM 472 CG PRO A 57 -2.912 13.041 8.959 1.00 0.00 C
474
+ ATOM 473 CD PRO A 57 -3.639 14.092 9.747 1.00 0.00 C
475
+ ATOM 474 N ALA A 58 -6.285 10.390 10.382 1.00 0.00 N
476
+ ATOM 475 CA ALA A 58 -6.476 9.245 11.268 1.00 0.00 C
477
+ ATOM 476 C ALA A 58 -5.292 8.285 11.185 1.00 0.00 C
478
+ ATOM 477 CB ALA A 58 -7.772 8.516 10.925 1.00 0.00 C
479
+ ATOM 478 O ALA A 58 -4.998 7.567 12.144 1.00 0.00 O
480
+ ATOM 479 N LEU A 59 -4.722 8.266 10.064 1.00 0.00 N
481
+ ATOM 480 CA LEU A 59 -3.623 7.318 9.916 1.00 0.00 C
482
+ ATOM 481 C LEU A 59 -2.357 8.025 9.445 1.00 0.00 C
483
+ ATOM 482 CB LEU A 59 -4.000 6.211 8.929 1.00 0.00 C
484
+ ATOM 483 O LEU A 59 -2.327 8.594 8.352 1.00 0.00 O
485
+ ATOM 484 CG LEU A 59 -4.952 5.133 9.450 1.00 0.00 C
486
+ ATOM 485 CD1 LEU A 59 -5.417 4.238 8.306 1.00 0.00 C
487
+ ATOM 486 CD2 LEU A 59 -4.279 4.308 10.542 1.00 0.00 C
488
+ ATOM 487 N THR A 60 -1.359 8.121 10.283 1.00 0.00 N
489
+ ATOM 488 CA THR A 60 -0.055 8.653 9.904 1.00 0.00 C
490
+ ATOM 489 C THR A 60 0.798 7.574 9.244 1.00 0.00 C
491
+ ATOM 490 CB THR A 60 0.691 9.226 11.124 1.00 0.00 C
492
+ ATOM 491 O THR A 60 0.490 6.385 9.343 1.00 0.00 O
493
+ ATOM 492 CG2 THR A 60 -0.158 10.265 11.849 1.00 0.00 C
494
+ ATOM 493 OG1 THR A 60 0.999 8.161 12.031 1.00 0.00 O
495
+ ATOM 494 N GLU A 61 1.860 7.972 8.576 1.00 0.00 N
496
+ ATOM 495 CA GLU A 61 2.795 7.023 7.978 1.00 0.00 C
497
+ ATOM 496 C GLU A 61 3.321 6.038 9.017 1.00 0.00 C
498
+ ATOM 497 CB GLU A 61 3.960 7.762 7.315 1.00 0.00 C
499
+ ATOM 498 O GLU A 61 3.496 4.853 8.724 1.00 0.00 O
500
+ ATOM 499 CG GLU A 61 3.573 8.516 6.052 1.00 0.00 C
501
+ ATOM 500 CD GLU A 61 3.092 9.932 6.321 1.00 0.00 C
502
+ ATOM 501 OE1 GLU A 61 3.033 10.339 7.503 1.00 0.00 O
503
+ ATOM 502 OE2 GLU A 61 2.771 10.642 5.341 1.00 0.00 O
504
+ ATOM 503 N GLN A 62 3.588 6.544 10.257 1.00 0.00 N
505
+ ATOM 504 CA GLN A 62 4.062 5.682 11.336 1.00 0.00 C
506
+ ATOM 505 C GLN A 62 3.016 4.633 11.701 1.00 0.00 C
507
+ ATOM 506 CB GLN A 62 4.425 6.513 12.568 1.00 0.00 C
508
+ ATOM 507 O GLN A 62 3.355 3.475 11.957 1.00 0.00 O
509
+ ATOM 508 CG GLN A 62 5.725 7.293 12.422 1.00 0.00 C
510
+ ATOM 509 CD GLN A 62 5.525 8.655 11.784 1.00 0.00 C
511
+ ATOM 510 NE2 GLN A 62 6.623 9.360 11.537 1.00 0.00 N
512
+ ATOM 511 OE1 GLN A 62 4.393 9.068 11.515 1.00 0.00 O
513
+ ATOM 512 N GLU A 63 1.762 5.073 11.754 1.00 0.00 N
514
+ ATOM 513 CA GLU A 63 0.691 4.136 12.077 1.00 0.00 C
515
+ ATOM 514 C GLU A 63 0.511 3.101 10.970 1.00 0.00 C
516
+ ATOM 515 CB GLU A 63 -0.623 4.883 12.318 1.00 0.00 C
517
+ ATOM 516 O GLU A 63 0.273 1.923 11.246 1.00 0.00 O
518
+ ATOM 517 CG GLU A 63 -0.685 5.601 13.658 1.00 0.00 C
519
+ ATOM 518 CD GLU A 63 -1.825 6.604 13.749 1.00 0.00 C
520
+ ATOM 519 OE1 GLU A 63 -2.370 7.000 12.694 1.00 0.00 O
521
+ ATOM 520 OE2 GLU A 63 -2.174 6.997 14.885 1.00 0.00 O
522
+ ATOM 521 N VAL A 64 0.606 3.543 9.717 1.00 0.00 N
523
+ ATOM 522 CA VAL A 64 0.524 2.611 8.597 1.00 0.00 C
524
+ ATOM 523 C VAL A 64 1.642 1.577 8.702 1.00 0.00 C
525
+ ATOM 524 CB VAL A 64 0.602 3.345 7.240 1.00 0.00 C
526
+ ATOM 525 O VAL A 64 1.398 0.374 8.580 1.00 0.00 O
527
+ ATOM 526 CG1 VAL A 64 0.817 2.351 6.100 1.00 0.00 C
528
+ ATOM 527 CG2 VAL A 64 -0.663 4.168 7.005 1.00 0.00 C
529
+ ATOM 528 N TYR A 65 2.868 2.057 8.976 1.00 0.00 N
530
+ ATOM 529 CA TYR A 65 3.998 1.144 9.111 1.00 0.00 C
531
+ ATOM 530 C TYR A 65 3.760 0.142 10.234 1.00 0.00 C
532
+ ATOM 531 CB TYR A 65 5.290 1.925 9.373 1.00 0.00 C
533
+ ATOM 532 O TYR A 65 4.026 -1.051 10.076 1.00 0.00 O
534
+ ATOM 533 CG TYR A 65 6.526 1.059 9.403 1.00 0.00 C
535
+ ATOM 534 CD1 TYR A 65 7.192 0.722 8.227 1.00 0.00 C
536
+ ATOM 535 CD2 TYR A 65 7.029 0.576 10.606 1.00 0.00 C
537
+ ATOM 536 CE1 TYR A 65 8.331 -0.076 8.250 1.00 0.00 C
538
+ ATOM 537 CE2 TYR A 65 8.167 -0.223 10.640 1.00 0.00 C
539
+ ATOM 538 OH TYR A 65 9.937 -1.335 9.486 1.00 0.00 O
540
+ ATOM 539 CZ TYR A 65 8.810 -0.544 9.459 1.00 0.00 C
541
+ ATOM 540 N ALA A 66 3.288 0.639 11.370 1.00 0.00 N
542
+ ATOM 541 CA ALA A 66 3.039 -0.219 12.526 1.00 0.00 C
543
+ ATOM 542 C ALA A 66 1.989 -1.279 12.207 1.00 0.00 C
544
+ ATOM 543 CB ALA A 66 2.598 0.618 13.724 1.00 0.00 C
545
+ ATOM 544 O ALA A 66 2.129 -2.439 12.604 1.00 0.00 O
546
+ ATOM 545 N GLN A 67 0.919 -0.862 11.540 1.00 0.00 N
547
+ ATOM 546 CA GLN A 67 -0.118 -1.819 11.173 1.00 0.00 C
548
+ ATOM 547 C GLN A 67 0.423 -2.879 10.217 1.00 0.00 C
549
+ ATOM 548 CB GLN A 67 -1.312 -1.102 10.541 1.00 0.00 C
550
+ ATOM 549 O GLN A 67 0.113 -4.064 10.356 1.00 0.00 O
551
+ ATOM 550 CG GLN A 67 -2.120 -0.267 11.525 1.00 0.00 C
552
+ ATOM 551 CD GLN A 67 -3.421 0.243 10.935 1.00 0.00 C
553
+ ATOM 552 NE2 GLN A 67 -3.815 1.451 11.322 1.00 0.00 N
554
+ ATOM 553 OE1 GLN A 67 -4.066 -0.443 10.134 1.00 0.00 O
555
+ ATOM 554 N VAL A 68 1.205 -2.427 9.244 1.00 0.00 N
556
+ ATOM 555 CA VAL A 68 1.765 -3.374 8.286 1.00 0.00 C
557
+ ATOM 556 C VAL A 68 2.753 -4.300 8.992 1.00 0.00 C
558
+ ATOM 557 CB VAL A 68 2.460 -2.649 7.111 1.00 0.00 C
559
+ ATOM 558 O VAL A 68 2.821 -5.493 8.688 1.00 0.00 O
560
+ ATOM 559 CG1 VAL A 68 3.243 -3.641 6.252 1.00 0.00 C
561
+ ATOM 560 CG2 VAL A 68 1.433 -1.899 6.265 1.00 0.00 C
562
+ ATOM 561 N ALA A 69 3.513 -3.802 9.948 1.00 0.00 N
563
+ ATOM 562 CA ALA A 69 4.467 -4.607 10.707 1.00 0.00 C
564
+ ATOM 563 C ALA A 69 3.759 -5.728 11.463 1.00 0.00 C
565
+ ATOM 564 CB ALA A 69 5.253 -3.729 11.677 1.00 0.00 C
566
+ ATOM 565 O ALA A 69 4.280 -6.841 11.566 1.00 0.00 O
567
+ ATOM 566 N ARG A 70 2.541 -5.430 11.949 1.00 0.00 N
568
+ ATOM 567 CA ARG A 70 1.769 -6.444 12.658 1.00 0.00 C
569
+ ATOM 568 C ARG A 70 1.286 -7.532 11.704 1.00 0.00 C
570
+ ATOM 569 CB ARG A 70 0.575 -5.809 13.375 1.00 0.00 C
571
+ ATOM 570 O ARG A 70 1.263 -8.713 12.061 1.00 0.00 O
572
+ ATOM 571 CG ARG A 70 0.955 -4.994 14.601 1.00 0.00 C
573
+ ATOM 572 CD ARG A 70 -0.263 -4.639 15.441 1.00 0.00 C
574
+ ATOM 573 NE ARG A 70 -1.154 -3.721 14.739 1.00 0.00 N
575
+ ATOM 574 NH1 ARG A 70 -0.086 -1.803 15.460 1.00 0.00 N
576
+ ATOM 575 NH2 ARG A 70 -1.915 -1.653 14.087 1.00 0.00 N
577
+ ATOM 576 CZ ARG A 70 -1.050 -2.394 14.763 1.00 0.00 C
578
+ ATOM 577 N LEU A 71 0.954 -7.047 10.474 1.00 0.00 N
579
+ ATOM 578 CA LEU A 71 0.483 -7.992 9.468 1.00 0.00 C
580
+ ATOM 579 C LEU A 71 1.624 -8.876 8.974 1.00 0.00 C
581
+ ATOM 580 CB LEU A 71 -0.149 -7.248 8.288 1.00 0.00 C
582
+ ATOM 581 O LEU A 71 1.429 -10.068 8.726 1.00 0.00 O
583
+ ATOM 582 CG LEU A 71 -1.522 -6.622 8.537 1.00 0.00 C
584
+ ATOM 583 CD1 LEU A 71 -2.036 -5.947 7.270 1.00 0.00 C
585
+ ATOM 584 CD2 LEU A 71 -2.510 -7.676 9.026 1.00 0.00 C
586
+ ATOM 585 N PHE A 72 2.741 -8.271 8.837 1.00 0.00 N
587
+ ATOM 586 CA PHE A 72 3.887 -8.957 8.255 1.00 0.00 C
588
+ ATOM 587 C PHE A 72 4.792 -9.521 9.345 1.00 0.00 C
589
+ ATOM 588 CB PHE A 72 4.683 -8.008 7.353 1.00 0.00 C
590
+ ATOM 589 O PHE A 72 6.011 -9.582 9.178 1.00 0.00 O
591
+ ATOM 590 CG PHE A 72 4.011 -7.714 6.039 1.00 0.00 C
592
+ ATOM 591 CD1 PHE A 72 2.855 -8.390 5.667 1.00 0.00 C
593
+ ATOM 592 CD2 PHE A 72 4.536 -6.762 5.175 1.00 0.00 C
594
+ ATOM 593 CE1 PHE A 72 2.231 -8.121 4.451 1.00 0.00 C
595
+ ATOM 594 CE2 PHE A 72 3.918 -6.488 3.958 1.00 0.00 C
596
+ ATOM 595 CZ PHE A 72 2.766 -7.168 3.598 1.00 0.00 C
597
+ ATOM 596 N LYS A 73 4.246 -9.999 10.378 1.00 0.00 N
598
+ ATOM 597 CA LYS A 73 5.006 -10.658 11.435 1.00 0.00 C
599
+ ATOM 598 C LYS A 73 5.847 -11.802 10.876 1.00 0.00 C
600
+ ATOM 599 CB LYS A 73 4.069 -11.182 12.524 1.00 0.00 C
601
+ ATOM 600 O LYS A 73 5.353 -12.620 10.097 1.00 0.00 O
602
+ ATOM 601 CG LYS A 73 4.786 -11.720 13.754 1.00 0.00 C
603
+ ATOM 602 CD LYS A 73 3.800 -12.159 14.829 1.00 0.00 C
604
+ ATOM 603 CE LYS A 73 4.518 -12.692 16.063 1.00 0.00 C
605
+ ATOM 604 NZ LYS A 73 3.556 -13.094 17.131 1.00 0.00 N
606
+ ATOM 605 N ASN A 74 7.089 -11.760 11.049 1.00 0.00 N
607
+ ATOM 606 CA ASN A 74 8.083 -12.751 10.652 1.00 0.00 C
608
+ ATOM 607 C ASN A 74 8.408 -12.654 9.164 1.00 0.00 C
609
+ ATOM 608 CB ASN A 74 7.603 -14.162 10.999 1.00 0.00 C
610
+ ATOM 609 O ASN A 74 8.987 -13.578 8.589 1.00 0.00 O
611
+ ATOM 610 CG ASN A 74 7.388 -14.355 12.488 1.00 0.00 C
612
+ ATOM 611 ND2 ASN A 74 6.308 -15.040 12.846 1.00 0.00 N
613
+ ATOM 612 OD1 ASN A 74 8.184 -13.892 13.308 1.00 0.00 O
614
+ ATOM 613 N GLN A 75 7.963 -11.664 8.566 1.00 0.00 N
615
+ ATOM 614 CA GLN A 75 8.318 -11.337 7.189 1.00 0.00 C
616
+ ATOM 615 C GLN A 75 9.044 -9.997 7.112 1.00 0.00 C
617
+ ATOM 616 CB GLN A 75 7.070 -11.308 6.305 1.00 0.00 C
618
+ ATOM 617 O GLN A 75 8.536 -9.041 6.522 1.00 0.00 O
619
+ ATOM 618 CG GLN A 75 6.192 -12.545 6.440 1.00 0.00 C
620
+ ATOM 619 CD GLN A 75 6.781 -13.761 5.750 1.00 0.00 C
621
+ ATOM 620 NE2 GLN A 75 6.383 -14.947 6.195 1.00 0.00 N
622
+ ATOM 621 OE1 GLN A 75 7.588 -13.636 4.822 1.00 0.00 O
623
+ ATOM 622 N GLU A 76 10.234 -9.937 7.812 1.00 0.00 N
624
+ ATOM 623 CA GLU A 76 10.994 -8.706 8.006 1.00 0.00 C
625
+ ATOM 624 C GLU A 76 11.474 -8.137 6.674 1.00 0.00 C
626
+ ATOM 625 CB GLU A 76 12.186 -8.951 8.935 1.00 0.00 C
627
+ ATOM 626 O GLU A 76 11.659 -6.926 6.540 1.00 0.00 O
628
+ ATOM 627 CG GLU A 76 11.797 -9.179 10.388 1.00 0.00 C
629
+ ATOM 628 CD GLU A 76 11.390 -10.614 10.682 1.00 0.00 C
630
+ ATOM 629 OE1 GLU A 76 11.501 -11.474 9.779 1.00 0.00 O
631
+ ATOM 630 OE2 GLU A 76 10.956 -10.881 11.825 1.00 0.00 O
632
+ ATOM 631 N ASP A 77 11.703 -9.040 5.712 1.00 0.00 N
633
+ ATOM 632 CA ASP A 77 12.154 -8.573 4.404 1.00 0.00 C
634
+ ATOM 633 C ASP A 77 11.072 -7.746 3.713 1.00 0.00 C
635
+ ATOM 634 CB ASP A 77 12.556 -9.756 3.521 1.00 0.00 C
636
+ ATOM 635 O ASP A 77 11.360 -6.694 3.137 1.00 0.00 O
637
+ ATOM 636 CG ASP A 77 11.444 -10.778 3.357 1.00 0.00 C
638
+ ATOM 637 OD1 ASP A 77 10.715 -11.048 4.335 1.00 0.00 O
639
+ ATOM 638 OD2 ASP A 77 11.298 -11.319 2.239 1.00 0.00 O
640
+ ATOM 639 N LEU A 78 9.802 -8.177 3.775 1.00 0.00 N
641
+ ATOM 640 CA LEU A 78 8.705 -7.425 3.175 1.00 0.00 C
642
+ ATOM 641 C LEU A 78 8.518 -6.083 3.876 1.00 0.00 C
643
+ ATOM 642 CB LEU A 78 7.405 -8.231 3.238 1.00 0.00 C
644
+ ATOM 643 O LEU A 78 8.286 -5.063 3.223 1.00 0.00 O
645
+ ATOM 644 CG LEU A 78 7.338 -9.479 2.355 1.00 0.00 C
646
+ ATOM 645 CD1 LEU A 78 6.023 -10.217 2.579 1.00 0.00 C
647
+ ATOM 646 CD2 LEU A 78 7.506 -9.105 0.886 1.00 0.00 C
648
+ ATOM 647 N LEU A 79 8.705 -6.141 5.247 1.00 0.00 N
649
+ ATOM 648 CA LEU A 79 8.490 -4.919 6.015 1.00 0.00 C
650
+ ATOM 649 C LEU A 79 9.571 -3.888 5.706 1.00 0.00 C
651
+ ATOM 650 CB LEU A 79 8.472 -5.225 7.515 1.00 0.00 C
652
+ ATOM 651 O LEU A 79 9.277 -2.699 5.559 1.00 0.00 O
653
+ ATOM 652 CG LEU A 79 8.215 -4.038 8.445 1.00 0.00 C
654
+ ATOM 653 CD1 LEU A 79 6.874 -3.389 8.116 1.00 0.00 C
655
+ ATOM 654 CD2 LEU A 79 8.257 -4.482 9.903 1.00 0.00 C
656
+ ATOM 655 N SER A 80 10.862 -4.392 5.683 1.00 0.00 N
657
+ ATOM 656 CA SER A 80 11.970 -3.504 5.343 1.00 0.00 C
658
+ ATOM 657 C SER A 80 11.758 -2.853 3.980 1.00 0.00 C
659
+ ATOM 658 CB SER A 80 13.293 -4.272 5.349 1.00 0.00 C
660
+ ATOM 659 O SER A 80 11.965 -1.648 3.823 1.00 0.00 O
661
+ ATOM 660 OG SER A 80 14.375 -3.411 5.041 1.00 0.00 O
662
+ ATOM 661 N GLU A 81 11.283 -3.606 3.039 1.00 0.00 N
663
+ ATOM 662 CA GLU A 81 11.012 -3.081 1.703 1.00 0.00 C
664
+ ATOM 663 C GLU A 81 9.848 -2.095 1.723 1.00 0.00 C
665
+ ATOM 664 CB GLU A 81 10.717 -4.223 0.726 1.00 0.00 C
666
+ ATOM 665 O GLU A 81 9.890 -1.063 1.052 1.00 0.00 O
667
+ ATOM 666 CG GLU A 81 10.702 -3.794 -0.733 1.00 0.00 C
668
+ ATOM 667 CD GLU A 81 10.676 -4.966 -1.703 1.00 0.00 C
669
+ ATOM 668 OE1 GLU A 81 10.774 -6.129 -1.251 1.00 0.00 O
670
+ ATOM 669 OE2 GLU A 81 10.556 -4.718 -2.924 1.00 0.00 O
671
+ ATOM 670 N PHE A 82 8.844 -2.352 2.480 1.00 0.00 N
672
+ ATOM 671 CA PHE A 82 7.682 -1.478 2.591 1.00 0.00 C
673
+ ATOM 672 C PHE A 82 8.091 -0.096 3.088 1.00 0.00 C
674
+ ATOM 673 CB PHE A 82 6.637 -2.086 3.530 1.00 0.00 C
675
+ ATOM 674 O PHE A 82 7.551 0.916 2.637 1.00 0.00 O
676
+ ATOM 675 CG PHE A 82 5.389 -1.256 3.669 1.00 0.00 C
677
+ ATOM 676 CD1 PHE A 82 4.547 -1.054 2.582 1.00 0.00 C
678
+ ATOM 677 CD2 PHE A 82 5.059 -0.678 4.888 1.00 0.00 C
679
+ ATOM 678 CE1 PHE A 82 3.392 -0.287 2.709 1.00 0.00 C
680
+ ATOM 679 CE2 PHE A 82 3.906 0.092 5.021 1.00 0.00 C
681
+ ATOM 680 CZ PHE A 82 3.074 0.286 3.930 1.00 0.00 C
682
+ ATOM 681 N GLY A 83 9.015 -0.057 4.046 1.00 0.00 N
683
+ ATOM 682 CA GLY A 83 9.501 1.190 4.617 1.00 0.00 C
684
+ ATOM 683 C GLY A 83 10.080 2.134 3.581 1.00 0.00 C
685
+ ATOM 684 O GLY A 83 10.099 3.350 3.782 1.00 0.00 O
686
+ ATOM 685 N GLN A 84 10.480 1.586 2.491 1.00 0.00 N
687
+ ATOM 686 CA GLN A 84 11.072 2.401 1.436 1.00 0.00 C
688
+ ATOM 687 C GLN A 84 10.002 3.190 0.686 1.00 0.00 C
689
+ ATOM 688 CB GLN A 84 11.861 1.527 0.461 1.00 0.00 C
690
+ ATOM 689 O GLN A 84 10.309 4.172 0.007 1.00 0.00 O
691
+ ATOM 690 CG GLN A 84 13.041 0.807 1.097 1.00 0.00 C
692
+ ATOM 691 CD GLN A 84 13.776 -0.091 0.120 1.00 0.00 C
693
+ ATOM 692 NE2 GLN A 84 14.729 -0.866 0.628 1.00 0.00 N
694
+ ATOM 693 OE1 GLN A 84 13.490 -0.089 -1.081 1.00 0.00 O
695
+ ATOM 694 N PHE A 85 8.827 2.742 0.759 1.00 0.00 N
696
+ ATOM 695 CA PHE A 85 7.735 3.382 0.036 1.00 0.00 C
697
+ ATOM 696 C PHE A 85 7.123 4.507 0.862 1.00 0.00 C
698
+ ATOM 697 CB PHE A 85 6.659 2.356 -0.333 1.00 0.00 C
699
+ ATOM 698 O PHE A 85 6.363 5.325 0.341 1.00 0.00 O
700
+ ATOM 699 CG PHE A 85 7.102 1.354 -1.364 1.00 0.00 C
701
+ ATOM 700 CD1 PHE A 85 7.115 1.683 -2.713 1.00 0.00 C
702
+ ATOM 701 CD2 PHE A 85 7.507 0.081 -0.982 1.00 0.00 C
703
+ ATOM 702 CE1 PHE A 85 7.524 0.758 -3.670 1.00 0.00 C
704
+ ATOM 703 CE2 PHE A 85 7.918 -0.849 -1.933 1.00 0.00 C
705
+ ATOM 704 CZ PHE A 85 7.925 -0.510 -3.276 1.00 0.00 C
706
+ ATOM 705 N LEU A 86 7.331 4.475 2.232 1.00 0.00 N
707
+ ATOM 706 CA LEU A 86 6.740 5.495 3.092 1.00 0.00 C
708
+ ATOM 707 C LEU A 86 7.589 6.762 3.092 1.00 0.00 C
709
+ ATOM 708 CB LEU A 86 6.586 4.969 4.522 1.00 0.00 C
710
+ ATOM 709 O LEU A 86 8.812 6.695 2.960 1.00 0.00 O
711
+ ATOM 710 CG LEU A 86 5.593 3.823 4.719 1.00 0.00 C
712
+ ATOM 711 CD1 LEU A 86 5.656 3.308 6.153 1.00 0.00 C
713
+ ATOM 712 CD2 LEU A 86 4.178 4.275 4.369 1.00 0.00 C
714
+ ATOM 713 N PRO A 87 6.910 7.893 3.084 1.00 0.00 N
715
+ ATOM 714 CA PRO A 87 7.676 9.135 3.204 1.00 0.00 C
716
+ ATOM 715 C PRO A 87 8.533 9.181 4.467 1.00 0.00 C
717
+ ATOM 716 CB PRO A 87 6.591 10.216 3.242 1.00 0.00 C
718
+ ATOM 717 O PRO A 87 8.194 8.551 5.471 1.00 0.00 O
719
+ ATOM 718 CG PRO A 87 5.329 9.502 2.875 1.00 0.00 C
720
+ ATOM 719 CD PRO A 87 5.537 8.029 3.083 1.00 0.00 C
721
+ ATOM 720 N ASP A 88 9.864 9.707 4.425 1.00 0.00 N
722
+ ATOM 721 CA ASP A 88 10.692 9.940 5.605 1.00 0.00 C
723
+ ATOM 722 C ASP A 88 9.917 10.696 6.680 1.00 0.00 C
724
+ ATOM 723 CB ASP A 88 11.958 10.713 5.228 1.00 0.00 C
725
+ ATOM 724 O ASP A 88 9.063 11.529 6.368 1.00 0.00 O
726
+ ATOM 725 CG ASP A 88 12.913 9.903 4.367 1.00 0.00 C
727
+ ATOM 726 OD1 ASP A 88 12.898 8.656 4.446 1.00 0.00 O
728
+ ATOM 727 OD2 ASP A 88 13.690 10.519 3.606 1.00 0.00 O
729
+ ATOM 728 N ALA A 89 9.714 10.088 7.863 1.00 0.00 N
730
+ ATOM 729 CA ALA A 89 9.107 10.815 8.974 1.00 0.00 C
731
+ ATOM 730 C ALA A 89 9.744 12.192 9.141 1.00 0.00 C
732
+ ATOM 731 CB ALA A 89 9.229 10.014 10.267 1.00 0.00 C
733
+ ATOM 732 O ALA A 89 10.922 12.379 8.828 1.00 0.00 O
734
+ ATOM 733 OXT ALA A 89 8.678 12.559 9.577 1.00 0.00 O
735
+ TER 734 ALA A 89
736
+ END
1g1e/1g1e_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jrs/1jrs_ligand.mol2 ADDED
@@ -0,0 +1,157 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
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+
5
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+ 1jrs_ligand
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+ 71 70 1 0 0
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+ 7 O 56.2130 -11.3200 12.6310 O.2 1 LEU -0.3944
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+ 9 CG 52.1010 -11.7480 10.5830 C.3 1 LEU -0.0425
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+ 10 CD1 50.8980 -11.1130 11.2610 C.3 1 LEU -0.0625
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+ 11 CD2 52.6050 -10.7660 9.5230 C.3 1 LEU -0.0625
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+ 12 H1 55.2078 -15.9895 10.0040 H 1 ACE 0.0467
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+ 13 N 55.3950 -13.2900 13.3740 N.am 1 LEU -0.2637
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+ 14 CA 56.1860 -13.3330 14.6030 C.3 1 LEU 0.1311
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42
+ 30 CZ 59.9470 -7.4350 11.6560 C.cat 1 AR7 0.2882
43
+ 31 NH1 60.6380 -6.5380 12.3660 N.pl3 1 AR7 -0.2849
44
+ 32 NH2 59.4790 -7.0900 10.4370 N.pl3 1 AR7 -0.2849
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+ 33 H3 55.2711 -15.4966 8.2778 H 1 ACE 0.0467
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+
1jrs/1jrs_ligand.sdf ADDED
@@ -0,0 +1,145 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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32
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33
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34
+ 59.4790 -7.0900 10.4370 N 0 0 0 0 0
35
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36
+ 56.7748 -15.5856 9.2421 H 0 0 0 0 0
37
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38
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39
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44
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+ 50.1342 -10.8961 10.5142 H 0 0 0 0 0
46
+ 52.8547 -9.8172 9.9980 H 0 0 0 0 0
47
+ 53.4921 -11.1772 9.0412 H 0 0 0 0 0
48
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49
+ 54.7677 -14.0683 13.1712 H 0 0 0 0 0
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+ 56.6445 -14.6180 16.1834 H 0 0 0 0 0
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55
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56
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+ 53.6212 -15.9667 17.7022 H 0 0 0 0 0
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66
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+ 30 69 1 0 0 0
143
+ 30 70 1 0 0 0
144
+ M END
145
+ $$$$
1jrs/1jrs_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jrs/1jrs_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1oko/1oko_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,904 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-28
2
+ ATOM 1 N ALA A 1 13.928 0.361 15.640 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 13.547 0.734 16.999 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 14.614 0.310 18.005 1.00 0.00 C
5
+ ATOM 4 CB ALA A 1 12.200 0.112 17.363 1.00 0.00 C
6
+ ATOM 5 O ALA A 1 15.392 -0.610 17.742 1.00 0.00 O
7
+ ATOM 6 N TRP A 2 14.791 1.062 18.958 1.00 0.00 N
8
+ ATOM 7 CA TRP A 2 15.714 0.761 20.048 1.00 0.00 C
9
+ ATOM 8 C TRP A 2 14.987 0.751 21.390 1.00 0.00 C
10
+ ATOM 9 CB TRP A 2 16.858 1.778 20.081 1.00 0.00 C
11
+ ATOM 10 O TRP A 2 14.134 1.604 21.647 1.00 0.00 O
12
+ ATOM 11 CG TRP A 2 17.911 1.476 21.106 1.00 0.00 C
13
+ ATOM 12 CD1 TRP A 2 19.038 0.722 20.931 1.00 0.00 C
14
+ ATOM 13 CD2 TRP A 2 17.929 1.917 22.466 1.00 0.00 C
15
+ ATOM 14 CE2 TRP A 2 19.100 1.395 23.060 1.00 0.00 C
16
+ ATOM 15 CE3 TRP A 2 17.069 2.707 23.242 1.00 0.00 C
17
+ ATOM 16 NE1 TRP A 2 19.758 0.671 22.103 1.00 0.00 N
18
+ ATOM 17 CH2 TRP A 2 18.574 2.412 25.131 1.00 0.00 C
19
+ ATOM 18 CZ2 TRP A 2 19.433 1.637 24.394 1.00 0.00 C
20
+ ATOM 19 CZ3 TRP A 2 17.403 2.946 24.571 1.00 0.00 C
21
+ ATOM 20 N LYS A 3 15.350 -0.253 22.205 1.00 0.00 N
22
+ ATOM 21 CA LYS A 3 14.871 -0.339 23.581 1.00 0.00 C
23
+ ATOM 22 C LYS A 3 16.024 -0.580 24.551 1.00 0.00 C
24
+ ATOM 23 CB LYS A 3 13.830 -1.452 23.718 1.00 0.00 C
25
+ ATOM 24 O LYS A 3 16.899 -1.408 24.290 1.00 0.00 O
26
+ ATOM 25 CG LYS A 3 13.196 -1.540 25.099 1.00 0.00 C
27
+ ATOM 26 CD LYS A 3 12.128 -2.624 25.156 1.00 0.00 C
28
+ ATOM 27 CE LYS A 3 11.521 -2.740 26.547 1.00 0.00 C
29
+ ATOM 28 NZ LYS A 3 10.464 -3.793 26.604 1.00 0.00 N
30
+ ATOM 29 N GLY A 4 15.999 0.176 25.628 1.00 0.00 N
31
+ ATOM 30 CA GLY A 4 17.068 0.003 26.598 1.00 0.00 C
32
+ ATOM 31 C GLY A 4 16.838 0.775 27.883 1.00 0.00 C
33
+ ATOM 32 O GLY A 4 15.822 1.458 28.030 1.00 0.00 O
34
+ ATOM 33 N GLU A 5 17.821 0.614 28.768 1.00 0.00 N
35
+ ATOM 34 CA GLU A 5 17.785 1.273 30.070 1.00 0.00 C
36
+ ATOM 35 C GLU A 5 18.787 2.421 30.136 1.00 0.00 C
37
+ ATOM 36 CB GLU A 5 18.063 0.266 31.190 1.00 0.00 C
38
+ ATOM 37 O GLU A 5 19.911 2.299 29.645 1.00 0.00 O
39
+ ATOM 38 CG GLU A 5 17.013 -0.830 31.308 1.00 0.00 C
40
+ ATOM 39 CD GLU A 5 15.682 -0.329 31.845 1.00 0.00 C
41
+ ATOM 40 OE1 GLU A 5 15.667 0.348 32.898 1.00 0.00 O
42
+ ATOM 41 OE2 GLU A 5 14.644 -0.619 31.208 1.00 0.00 O
43
+ ATOM 42 N VAL A 6 18.352 3.491 30.710 1.00 0.00 N
44
+ ATOM 43 CA VAL A 6 19.233 4.611 31.023 1.00 0.00 C
45
+ ATOM 44 C VAL A 6 19.472 4.673 32.531 1.00 0.00 C
46
+ ATOM 45 CB VAL A 6 18.651 5.950 30.519 1.00 0.00 C
47
+ ATOM 46 O VAL A 6 18.560 4.995 33.297 1.00 0.00 O
48
+ ATOM 47 CG1 VAL A 6 19.592 7.107 30.852 1.00 0.00 C
49
+ ATOM 48 CG2 VAL A 6 18.389 5.885 29.016 1.00 0.00 C
50
+ ATOM 49 N LEU A 7 20.640 4.313 32.864 1.00 0.00 N
51
+ ATOM 50 CA LEU A 7 20.977 4.271 34.282 1.00 0.00 C
52
+ ATOM 51 C LEU A 7 21.199 5.678 34.830 1.00 0.00 C
53
+ ATOM 52 CB LEU A 7 22.227 3.420 34.512 1.00 0.00 C
54
+ ATOM 53 O LEU A 7 21.868 6.497 34.198 1.00 0.00 O
55
+ ATOM 54 CG LEU A 7 22.142 1.957 34.071 1.00 0.00 C
56
+ ATOM 55 CD1 LEU A 7 23.486 1.264 34.271 1.00 0.00 C
57
+ ATOM 56 CD2 LEU A 7 21.040 1.231 34.835 1.00 0.00 C
58
+ ATOM 57 N ALA A 8 20.752 5.884 36.036 1.00 0.00 N
59
+ ATOM 58 CA ALA A 8 20.859 7.196 36.670 1.00 0.00 C
60
+ ATOM 59 C ALA A 8 22.305 7.509 37.045 1.00 0.00 C
61
+ ATOM 60 CB ALA A 8 19.965 7.265 37.906 1.00 0.00 C
62
+ ATOM 61 O ALA A 8 22.688 8.676 37.151 1.00 0.00 O
63
+ ATOM 62 N ASN A 9 23.102 6.408 37.307 1.00 0.00 N
64
+ ATOM 63 CA ASN A 9 24.460 6.613 37.799 1.00 0.00 C
65
+ ATOM 64 C ASN A 9 25.481 6.564 36.665 1.00 0.00 C
66
+ ATOM 65 CB ASN A 9 24.807 5.577 38.869 1.00 0.00 C
67
+ ATOM 66 O ASN A 9 26.685 6.476 36.910 1.00 0.00 O
68
+ ATOM 67 CG ASN A 9 24.813 4.159 38.330 1.00 0.00 C
69
+ ATOM 68 ND2 ASN A 9 25.145 3.200 39.187 1.00 0.00 N
70
+ ATOM 69 OD1 ASN A 9 24.524 3.928 37.153 1.00 0.00 O
71
+ ATOM 70 N ASN A 10 25.006 6.589 35.505 1.00 0.00 N
72
+ ATOM 71 CA ASN A 10 25.883 6.593 34.338 1.00 0.00 C
73
+ ATOM 72 C ASN A 10 25.996 7.986 33.727 1.00 0.00 C
74
+ ATOM 73 CB ASN A 10 25.389 5.591 33.291 1.00 0.00 C
75
+ ATOM 74 O ASN A 10 25.188 8.362 32.874 1.00 0.00 O
76
+ ATOM 75 CG ASN A 10 26.324 5.481 32.103 1.00 0.00 C
77
+ ATOM 76 ND2 ASN A 10 25.857 4.840 31.038 1.00 0.00 N
78
+ ATOM 77 OD1 ASN A 10 27.457 5.966 32.142 1.00 0.00 O
79
+ ATOM 78 N GLU A 11 27.002 8.674 34.103 1.00 0.00 N
80
+ ATOM 79 CA GLU A 11 27.202 10.048 33.652 1.00 0.00 C
81
+ ATOM 80 C GLU A 11 27.453 10.104 32.148 1.00 0.00 C
82
+ ATOM 81 CB GLU A 11 28.368 10.697 34.404 1.00 0.00 C
83
+ ATOM 82 O GLU A 11 27.047 11.057 31.480 1.00 0.00 O
84
+ ATOM 83 CG GLU A 11 28.661 12.126 33.969 1.00 0.00 C
85
+ ATOM 84 CD GLU A 11 29.727 12.803 34.816 1.00 0.00 C
86
+ ATOM 85 OE1 GLU A 11 30.005 12.325 35.939 1.00 0.00 O
87
+ ATOM 86 OE2 GLU A 11 30.287 13.822 34.352 1.00 0.00 O
88
+ ATOM 87 N ALA A 12 28.090 9.156 31.622 1.00 0.00 N
89
+ ATOM 88 CA ALA A 12 28.420 9.122 30.200 1.00 0.00 C
90
+ ATOM 89 C ALA A 12 27.172 8.894 29.352 1.00 0.00 C
91
+ ATOM 90 CB ALA A 12 29.456 8.036 29.920 1.00 0.00 C
92
+ ATOM 91 O ALA A 12 27.165 9.188 28.154 1.00 0.00 O
93
+ ATOM 92 N GLY A 13 26.065 8.356 29.972 1.00 0.00 N
94
+ ATOM 93 CA GLY A 13 24.816 8.089 29.277 1.00 0.00 C
95
+ ATOM 94 C GLY A 13 24.820 6.771 28.526 1.00 0.00 C
96
+ ATOM 95 O GLY A 13 25.821 6.050 28.532 1.00 0.00 O
97
+ ATOM 96 N GLN A 14 23.719 6.479 27.983 1.00 0.00 N
98
+ ATOM 97 CA GLN A 14 23.489 5.277 27.186 1.00 0.00 C
99
+ ATOM 98 C GLN A 14 23.477 5.600 25.695 1.00 0.00 C
100
+ ATOM 99 CB GLN A 14 22.173 4.610 27.589 1.00 0.00 C
101
+ ATOM 100 O GLN A 14 22.560 6.264 25.205 1.00 0.00 O
102
+ ATOM 101 CG GLN A 14 21.895 3.306 26.853 1.00 0.00 C
103
+ ATOM 102 CD GLN A 14 22.919 2.230 27.158 1.00 0.00 C
104
+ ATOM 103 NE2 GLN A 14 23.483 1.634 26.111 1.00 0.00 N
105
+ ATOM 104 OE1 GLN A 14 23.203 1.936 28.323 1.00 0.00 O
106
+ ATOM 105 N VAL A 15 24.506 5.118 24.988 1.00 0.00 N
107
+ ATOM 106 CA VAL A 15 24.528 5.255 23.536 1.00 0.00 C
108
+ ATOM 107 C VAL A 15 23.591 4.226 22.906 1.00 0.00 C
109
+ ATOM 108 CB VAL A 15 25.957 5.091 22.971 1.00 0.00 C
110
+ ATOM 109 O VAL A 15 23.668 3.035 23.218 1.00 0.00 O
111
+ ATOM 110 CG1 VAL A 15 25.957 5.250 21.451 1.00 0.00 C
112
+ ATOM 111 CG2 VAL A 15 26.904 6.101 23.618 1.00 0.00 C
113
+ ATOM 112 N THR A 16 22.756 4.777 22.081 1.00 0.00 N
114
+ ATOM 113 CA THR A 16 21.816 3.880 21.417 1.00 0.00 C
115
+ ATOM 114 C THR A 16 22.331 3.485 20.036 1.00 0.00 C
116
+ ATOM 115 CB THR A 16 20.426 4.527 21.284 1.00 0.00 C
117
+ ATOM 116 O THR A 16 23.307 4.056 19.544 1.00 0.00 O
118
+ ATOM 117 CG2 THR A 16 20.018 5.226 22.576 1.00 0.00 C
119
+ ATOM 118 OG1 THR A 16 20.452 5.489 20.222 1.00 0.00 O
120
+ ATOM 119 N SER A 17 21.636 2.496 19.419 1.00 0.00 N
121
+ ATOM 120 CA SER A 17 22.000 2.090 18.065 1.00 0.00 C
122
+ ATOM 121 C SER A 17 21.289 2.945 17.021 1.00 0.00 C
123
+ ATOM 122 CB SER A 17 21.667 0.614 17.839 1.00 0.00 C
124
+ ATOM 123 O SER A 17 21.465 2.739 15.819 1.00 0.00 O
125
+ ATOM 124 OG SER A 17 20.281 0.378 18.019 1.00 0.00 O
126
+ ATOM 125 N ILE A 18 20.512 3.831 17.471 1.00 0.00 N
127
+ ATOM 126 CA ILE A 18 19.758 4.677 16.551 1.00 0.00 C
128
+ ATOM 127 C ILE A 18 20.640 5.826 16.067 1.00 0.00 C
129
+ ATOM 128 CB ILE A 18 18.474 5.228 17.211 1.00 0.00 C
130
+ ATOM 129 O ILE A 18 21.135 6.618 16.872 1.00 0.00 O
131
+ ATOM 130 CG1 ILE A 18 17.574 4.075 17.671 1.00 0.00 C
132
+ ATOM 131 CG2 ILE A 18 17.728 6.156 16.248 1.00 0.00 C
133
+ ATOM 132 CD1 ILE A 18 17.007 3.240 16.532 1.00 0.00 C
134
+ ATOM 133 N ILE A 19 20.934 5.739 14.834 1.00 0.00 N
135
+ ATOM 134 CA ILE A 19 21.629 6.837 14.172 1.00 0.00 C
136
+ ATOM 135 C ILE A 19 20.611 7.829 13.613 1.00 0.00 C
137
+ ATOM 136 CB ILE A 19 22.552 6.324 13.044 1.00 0.00 C
138
+ ATOM 137 O ILE A 19 19.742 7.456 12.821 1.00 0.00 O
139
+ ATOM 138 CG1 ILE A 19 23.503 5.249 13.580 1.00 0.00 C
140
+ ATOM 139 CG2 ILE A 19 23.332 7.482 12.415 1.00 0.00 C
141
+ ATOM 140 CD1 ILE A 19 24.453 5.746 14.662 1.00 0.00 C
142
+ ATOM 141 N TYR A 20 20.771 8.954 14.143 1.00 0.00 N
143
+ ATOM 142 CA TYR A 20 19.866 10.013 13.713 1.00 0.00 C
144
+ ATOM 143 C TYR A 20 20.386 10.696 12.453 1.00 0.00 C
145
+ ATOM 144 CB TYR A 20 19.679 11.047 14.828 1.00 0.00 C
146
+ ATOM 145 O TYR A 20 21.563 11.057 12.377 1.00 0.00 O
147
+ ATOM 146 CG TYR A 20 18.511 11.977 14.604 1.00 0.00 C
148
+ ATOM 147 CD1 TYR A 20 17.200 11.517 14.696 1.00 0.00 C
149
+ ATOM 148 CD2 TYR A 20 18.718 13.318 14.297 1.00 0.00 C
150
+ ATOM 149 CE1 TYR A 20 16.121 12.370 14.487 1.00 0.00 C
151
+ ATOM 150 CE2 TYR A 20 17.646 14.181 14.087 1.00 0.00 C
152
+ ATOM 151 OH TYR A 20 15.290 14.547 13.978 1.00 0.00 O
153
+ ATOM 152 CZ TYR A 20 16.354 13.698 14.184 1.00 0.00 C
154
+ ATOM 153 N ASN A 21 19.553 10.990 11.351 1.00 0.00 N
155
+ ATOM 154 CA ASN A 21 19.869 11.742 10.141 1.00 0.00 C
156
+ ATOM 155 C ASN A 21 18.902 12.905 9.937 1.00 0.00 C
157
+ ATOM 156 CB ASN A 21 19.859 10.822 8.919 1.00 0.00 C
158
+ ATOM 157 O ASN A 21 17.758 12.853 10.387 1.00 0.00 O
159
+ ATOM 158 CG ASN A 21 20.888 9.712 9.015 1.00 0.00 C
160
+ ATOM 159 ND2 ASN A 21 20.422 8.469 8.993 1.00 0.00 N
161
+ ATOM 160 OD1 ASN A 21 22.091 9.970 9.109 1.00 0.00 O
162
+ ATOM 161 N PRO A 22 19.428 14.004 9.306 1.00 0.00 N
163
+ ATOM 162 CA PRO A 22 18.518 15.114 9.012 1.00 0.00 C
164
+ ATOM 163 C PRO A 22 17.217 14.652 8.360 1.00 0.00 C
165
+ ATOM 164 CB PRO A 22 19.328 15.989 8.053 1.00 0.00 C
166
+ ATOM 165 O PRO A 22 17.241 13.845 7.428 1.00 0.00 O
167
+ ATOM 166 CG PRO A 22 20.756 15.733 8.415 1.00 0.00 C
168
+ ATOM 167 CD PRO A 22 20.899 14.287 8.795 1.00 0.00 C
169
+ ATOM 168 N GLY A 23 16.113 15.119 8.895 1.00 0.00 N
170
+ ATOM 169 CA GLY A 23 14.806 14.767 8.360 1.00 0.00 C
171
+ ATOM 170 C GLY A 23 14.154 13.610 9.092 1.00 0.00 C
172
+ ATOM 171 O GLY A 23 12.966 13.342 8.906 1.00 0.00 O
173
+ ATOM 172 N ASP A 24 14.997 12.823 9.816 1.00 0.00 N
174
+ ATOM 173 CA ASP A 24 14.423 11.732 10.599 1.00 0.00 C
175
+ ATOM 174 C ASP A 24 13.441 12.261 11.641 1.00 0.00 C
176
+ ATOM 175 CB ASP A 24 15.528 10.921 11.280 1.00 0.00 C
177
+ ATOM 176 O ASP A 24 13.583 13.388 12.120 1.00 0.00 O
178
+ ATOM 177 CG ASP A 24 16.327 10.073 10.306 1.00 0.00 C
179
+ ATOM 178 OD1 ASP A 24 15.883 9.885 9.153 1.00 0.00 O
180
+ ATOM 179 OD2 ASP A 24 17.411 9.587 10.696 1.00 0.00 O
181
+ ATOM 180 N VAL A 25 12.405 11.530 11.933 1.00 0.00 N
182
+ ATOM 181 CA VAL A 25 11.503 11.773 13.054 1.00 0.00 C
183
+ ATOM 182 C VAL A 25 11.691 10.690 14.114 1.00 0.00 C
184
+ ATOM 183 CB VAL A 25 10.028 11.819 12.595 1.00 0.00 C
185
+ ATOM 184 O VAL A 25 11.620 9.497 13.812 1.00 0.00 O
186
+ ATOM 185 CG1 VAL A 25 9.101 12.067 13.783 1.00 0.00 C
187
+ ATOM 186 CG2 VAL A 25 9.834 12.894 11.528 1.00 0.00 C
188
+ ATOM 187 N ILE A 26 11.863 11.094 15.303 1.00 0.00 N
189
+ ATOM 188 CA ILE A 26 12.063 10.125 16.375 1.00 0.00 C
190
+ ATOM 189 C ILE A 26 10.937 10.248 17.398 1.00 0.00 C
191
+ ATOM 190 CB ILE A 26 13.435 10.313 17.060 1.00 0.00 C
192
+ ATOM 191 O ILE A 26 10.458 11.351 17.674 1.00 0.00 O
193
+ ATOM 192 CG1 ILE A 26 13.563 11.737 17.614 1.00 0.00 C
194
+ ATOM 193 CG2 ILE A 26 14.573 10.001 16.086 1.00 0.00 C
195
+ ATOM 194 CD1 ILE A 26 14.768 11.942 18.521 1.00 0.00 C
196
+ ATOM 195 N THR A 27 10.532 9.204 17.882 1.00 0.00 N
197
+ ATOM 196 CA THR A 27 9.604 9.106 19.003 1.00 0.00 C
198
+ ATOM 197 C THR A 27 10.260 8.401 20.188 1.00 0.00 C
199
+ ATOM 198 CB THR A 27 8.320 8.357 18.602 1.00 0.00 C
200
+ ATOM 199 O THR A 27 10.831 7.319 20.034 1.00 0.00 O
201
+ ATOM 200 CG2 THR A 27 7.316 8.335 19.750 1.00 0.00 C
202
+ ATOM 201 OG1 THR A 27 7.727 9.009 17.474 1.00 0.00 O
203
+ ATOM 202 N ILE A 28 10.219 9.045 21.271 1.00 0.00 N
204
+ ATOM 203 CA ILE A 28 10.811 8.501 22.488 1.00 0.00 C
205
+ ATOM 204 C ILE A 28 9.739 8.357 23.565 1.00 0.00 C
206
+ ATOM 205 CB ILE A 28 11.969 9.387 22.999 1.00 0.00 C
207
+ ATOM 206 O ILE A 28 8.979 9.294 23.821 1.00 0.00 O
208
+ ATOM 207 CG1 ILE A 28 13.061 9.509 21.928 1.00 0.00 C
209
+ ATOM 208 CG2 ILE A 28 12.542 8.828 24.304 1.00 0.00 C
210
+ ATOM 209 CD1 ILE A 28 14.190 10.461 22.301 1.00 0.00 C
211
+ ATOM 210 N VAL A 29 9.696 7.190 24.127 1.00 0.00 N
212
+ ATOM 211 CA VAL A 29 8.873 6.908 25.299 1.00 0.00 C
213
+ ATOM 212 C VAL A 29 9.752 6.398 26.438 1.00 0.00 C
214
+ ATOM 213 CB VAL A 29 7.764 5.881 24.980 1.00 0.00 C
215
+ ATOM 214 O VAL A 29 10.550 5.477 26.250 1.00 0.00 O
216
+ ATOM 215 CG1 VAL A 29 6.889 5.631 26.206 1.00 0.00 C
217
+ ATOM 216 CG2 VAL A 29 6.915 6.360 23.802 1.00 0.00 C
218
+ ATOM 217 N ALA A 30 9.590 7.025 27.531 1.00 0.00 N
219
+ ATOM 218 CA ALA A 30 10.401 6.663 28.690 1.00 0.00 C
220
+ ATOM 219 C ALA A 30 9.535 6.505 29.938 1.00 0.00 C
221
+ ATOM 220 CB ALA A 30 11.487 7.710 28.929 1.00 0.00 C
222
+ ATOM 221 O ALA A 30 8.537 7.211 30.100 1.00 0.00 O
223
+ ATOM 222 N ALA A 31 9.916 5.592 30.691 1.00 0.00 N
224
+ ATOM 223 CA ALA A 31 9.240 5.310 31.955 1.00 0.00 C
225
+ ATOM 224 C ALA A 31 10.229 4.822 33.009 1.00 0.00 C
226
+ ATOM 225 CB ALA A 31 8.136 4.276 31.748 1.00 0.00 C
227
+ ATOM 226 O ALA A 31 11.357 4.441 32.684 1.00 0.00 O
228
+ ATOM 227 N GLY A 32 9.773 4.801 34.298 1.00 0.00 N
229
+ ATOM 228 CA GLY A 32 10.631 4.359 35.385 1.00 0.00 C
230
+ ATOM 229 C GLY A 32 10.872 5.432 36.430 1.00 0.00 C
231
+ ATOM 230 O GLY A 32 10.434 6.574 36.267 1.00 0.00 O
232
+ ATOM 231 N TRP A 33 11.628 4.997 37.362 1.00 0.00 N
233
+ ATOM 232 CA TRP A 33 11.938 5.839 38.512 1.00 0.00 C
234
+ ATOM 233 C TRP A 33 13.426 5.785 38.841 1.00 0.00 C
235
+ ATOM 234 CB TRP A 33 11.118 5.410 39.732 1.00 0.00 C
236
+ ATOM 235 O TRP A 33 14.017 4.704 38.899 1.00 0.00 O
237
+ ATOM 236 CG TRP A 33 9.637 5.570 39.556 1.00 0.00 C
238
+ ATOM 237 CD1 TRP A 33 8.733 4.592 39.248 1.00 0.00 C
239
+ ATOM 238 CD2 TRP A 33 8.889 6.784 39.675 1.00 0.00 C
240
+ ATOM 239 CE2 TRP A 33 7.536 6.467 39.425 1.00 0.00 C
241
+ ATOM 240 CE3 TRP A 33 9.233 8.111 39.968 1.00 0.00 C
242
+ ATOM 241 NE1 TRP A 33 7.467 5.124 39.168 1.00 0.00 N
243
+ ATOM 242 CH2 TRP A 33 6.888 8.720 39.751 1.00 0.00 C
244
+ ATOM 243 CZ2 TRP A 33 6.524 7.430 39.462 1.00 0.00 C
245
+ ATOM 244 CZ3 TRP A 33 8.225 9.068 40.004 1.00 0.00 C
246
+ ATOM 245 N ALA A 34 13.983 7.000 39.005 1.00 0.00 N
247
+ ATOM 246 CA ALA A 34 15.404 7.121 39.325 1.00 0.00 C
248
+ ATOM 247 C ALA A 34 15.652 8.281 40.283 1.00 0.00 C
249
+ ATOM 248 CB ALA A 34 16.222 7.303 38.049 1.00 0.00 C
250
+ ATOM 249 O ALA A 34 14.818 9.179 40.411 1.00 0.00 O
251
+ ATOM 250 N SER A 35 16.881 8.246 40.909 1.00 0.00 N
252
+ ATOM 251 CA SER A 35 17.201 9.218 41.950 1.00 0.00 C
253
+ ATOM 252 C SER A 35 18.561 9.863 41.705 1.00 0.00 C
254
+ ATOM 253 CB SER A 35 17.183 8.555 43.327 1.00 0.00 C
255
+ ATOM 254 O SER A 35 19.482 9.212 41.208 1.00 0.00 O
256
+ ATOM 255 OG SER A 35 17.678 9.439 44.318 1.00 0.00 O
257
+ ATOM 256 N TYR A 36 18.658 11.197 41.987 1.00 0.00 N
258
+ ATOM 257 CA TYR A 36 19.956 11.863 42.004 1.00 0.00 C
259
+ ATOM 258 C TYR A 36 20.455 12.050 43.432 1.00 0.00 C
260
+ ATOM 259 CB TYR A 36 19.873 13.221 41.298 1.00 0.00 C
261
+ ATOM 260 O TYR A 36 21.362 12.848 43.680 1.00 0.00 O
262
+ ATOM 261 CG TYR A 36 18.779 14.115 41.829 1.00 0.00 C
263
+ ATOM 262 CD1 TYR A 36 17.548 14.200 41.182 1.00 0.00 C
264
+ ATOM 263 CD2 TYR A 36 18.972 14.874 42.977 1.00 0.00 C
265
+ ATOM 264 CE1 TYR A 36 16.537 15.024 41.665 1.00 0.00 C
266
+ ATOM 265 CE2 TYR A 36 17.968 15.701 43.471 1.00 0.00 C
267
+ ATOM 266 OH TYR A 36 15.758 16.586 43.292 1.00 0.00 O
268
+ ATOM 267 CZ TYR A 36 16.755 15.769 42.809 1.00 0.00 C
269
+ ATOM 268 N GLY A 37 19.943 11.343 44.414 1.00 0.00 N
270
+ ATOM 269 CA GLY A 37 20.254 11.342 45.834 1.00 0.00 C
271
+ ATOM 270 C GLY A 37 19.589 10.208 46.590 1.00 0.00 C
272
+ ATOM 271 O GLY A 37 18.955 9.340 45.987 1.00 0.00 O
273
+ ATOM 272 N PRO A 38 19.852 10.088 47.871 1.00 0.00 N
274
+ ATOM 273 CA PRO A 38 19.494 8.886 48.627 1.00 0.00 C
275
+ ATOM 274 C PRO A 38 17.989 8.755 48.848 1.00 0.00 C
276
+ ATOM 275 CB PRO A 38 20.228 9.072 49.956 1.00 0.00 C
277
+ ATOM 276 O PRO A 38 17.512 7.698 49.269 1.00 0.00 O
278
+ ATOM 277 CG PRO A 38 20.469 10.543 50.057 1.00 0.00 C
279
+ ATOM 278 CD PRO A 38 20.595 11.101 48.668 1.00 0.00 C
280
+ ATOM 279 N THR A 39 17.177 9.737 48.698 1.00 0.00 N
281
+ ATOM 280 CA THR A 39 15.869 9.659 49.340 1.00 0.00 C
282
+ ATOM 281 C THR A 39 14.759 9.557 48.297 1.00 0.00 C
283
+ ATOM 282 CB THR A 39 15.618 10.879 50.245 1.00 0.00 C
284
+ ATOM 283 O THR A 39 13.835 8.755 48.444 1.00 0.00 O
285
+ ATOM 284 CG2 THR A 39 16.581 10.895 51.427 1.00 0.00 C
286
+ ATOM 285 OG1 THR A 39 15.797 12.078 49.480 1.00 0.00 O
287
+ ATOM 286 N GLN A 40 14.716 10.253 47.211 1.00 0.00 N
288
+ ATOM 287 CA GLN A 40 13.535 10.399 46.366 1.00 0.00 C
289
+ ATOM 288 C GLN A 40 13.836 9.991 44.927 1.00 0.00 C
290
+ ATOM 289 CB GLN A 40 13.020 11.838 46.406 1.00 0.00 C
291
+ ATOM 290 O GLN A 40 14.960 10.160 44.450 1.00 0.00 O
292
+ ATOM 291 CG GLN A 40 12.450 12.250 47.758 1.00 0.00 C
293
+ ATOM 292 CD GLN A 40 11.908 13.667 47.758 1.00 0.00 C
294
+ ATOM 293 NE2 GLN A 40 11.874 14.289 48.932 1.00 0.00 N
295
+ ATOM 294 OE1 GLN A 40 11.522 14.199 46.712 1.00 0.00 O
296
+ ATOM 295 N LYS A 41 12.807 9.384 44.323 1.00 0.00 N
297
+ ATOM 296 CA LYS A 41 12.879 8.989 42.919 1.00 0.00 C
298
+ ATOM 297 C LYS A 41 11.896 9.792 42.071 1.00 0.00 C
299
+ ATOM 298 CB LYS A 41 12.603 7.493 42.767 1.00 0.00 C
300
+ ATOM 299 O LYS A 41 10.813 10.147 42.538 1.00 0.00 O
301
+ ATOM 300 CG LYS A 41 13.632 6.601 43.446 1.00 0.00 C
302
+ ATOM 301 CD LYS A 41 13.329 5.125 43.220 1.00 0.00 C
303
+ ATOM 302 CE LYS A 41 14.353 4.232 43.907 1.00 0.00 C
304
+ ATOM 303 NZ LYS A 41 14.061 2.783 43.687 1.00 0.00 N
305
+ ATOM 304 N TRP A 42 12.350 10.109 40.972 1.00 0.00 N
306
+ ATOM 305 CA TRP A 42 11.524 10.848 40.022 1.00 0.00 C
307
+ ATOM 306 C TRP A 42 11.446 10.118 38.685 1.00 0.00 C
308
+ ATOM 307 CB TRP A 42 12.075 12.261 39.814 1.00 0.00 C
309
+ ATOM 308 O TRP A 42 12.323 9.316 38.357 1.00 0.00 O
310
+ ATOM 309 CG TRP A 42 12.065 13.106 41.053 1.00 0.00 C
311
+ ATOM 310 CD1 TRP A 42 11.058 13.923 41.485 1.00 0.00 C
312
+ ATOM 311 CD2 TRP A 42 13.117 13.221 42.016 1.00 0.00 C
313
+ ATOM 312 CE2 TRP A 42 12.678 14.126 43.008 1.00 0.00 C
314
+ ATOM 313 CE3 TRP A 42 14.389 12.646 42.137 1.00 0.00 C
315
+ ATOM 314 NE1 TRP A 42 11.420 14.539 42.661 1.00 0.00 N
316
+ ATOM 315 CH2 TRP A 42 14.708 13.891 44.203 1.00 0.00 C
317
+ ATOM 316 CZ2 TRP A 42 13.468 14.468 44.108 1.00 0.00 C
318
+ ATOM 317 CZ3 TRP A 42 15.173 12.988 43.233 1.00 0.00 C
319
+ ATOM 318 N GLY A 43 10.351 10.441 37.949 1.00 0.00 N
320
+ ATOM 319 CA GLY A 43 10.217 9.943 36.589 1.00 0.00 C
321
+ ATOM 320 C GLY A 43 11.026 10.735 35.581 1.00 0.00 C
322
+ ATOM 321 O GLY A 43 11.740 11.670 35.948 1.00 0.00 O
323
+ ATOM 322 N PRO A 44 10.982 10.319 34.358 1.00 0.00 N
324
+ ATOM 323 CA PRO A 44 11.823 10.897 33.308 1.00 0.00 C
325
+ ATOM 324 C PRO A 44 11.632 12.406 33.162 1.00 0.00 C
326
+ ATOM 325 CB PRO A 44 11.366 10.164 32.044 1.00 0.00 C
327
+ ATOM 326 O PRO A 44 12.414 13.067 32.474 1.00 0.00 O
328
+ ATOM 327 CG PRO A 44 10.831 8.858 32.533 1.00 0.00 C
329
+ ATOM 328 CD PRO A 44 10.218 9.070 33.887 1.00 0.00 C
330
+ ATOM 329 N GLN A 45 10.604 12.961 33.748 1.00 0.00 N
331
+ ATOM 330 CA GLN A 45 10.385 14.404 33.721 1.00 0.00 C
332
+ ATOM 331 C GLN A 45 11.309 15.119 34.702 1.00 0.00 C
333
+ ATOM 332 CB GLN A 45 8.925 14.731 34.039 1.00 0.00 C
334
+ ATOM 333 O GLN A 45 11.573 16.314 34.557 1.00 0.00 O
335
+ ATOM 334 CG GLN A 45 8.576 16.204 33.874 1.00 0.00 C
336
+ ATOM 335 CD GLN A 45 8.659 16.669 32.433 1.00 0.00 C
337
+ ATOM 336 NE2 GLN A 45 9.243 17.844 32.222 1.00 0.00 N
338
+ ATOM 337 OE1 GLN A 45 8.204 15.977 31.516 1.00 0.00 O
339
+ ATOM 338 N GLY A 46 11.781 14.428 35.653 1.00 0.00 N
340
+ ATOM 339 CA GLY A 46 12.688 15.004 36.632 1.00 0.00 C
341
+ ATOM 340 C GLY A 46 11.971 15.693 37.778 1.00 0.00 C
342
+ ATOM 341 O GLY A 46 10.755 15.556 37.928 1.00 0.00 O
343
+ ATOM 342 N ASP A 47 12.737 16.339 38.559 1.00 0.00 N
344
+ ATOM 343 CA ASP A 47 12.331 17.059 39.763 1.00 0.00 C
345
+ ATOM 344 C ASP A 47 12.050 18.528 39.456 1.00 0.00 C
346
+ ATOM 345 CB ASP A 47 13.408 16.944 40.844 1.00 0.00 C
347
+ ATOM 346 O ASP A 47 12.978 19.317 39.268 1.00 0.00 O
348
+ ATOM 347 CG ASP A 47 13.036 17.664 42.129 1.00 0.00 C
349
+ ATOM 348 OD1 ASP A 47 11.928 18.236 42.210 1.00 0.00 O
350
+ ATOM 349 OD2 ASP A 47 13.862 17.662 43.069 1.00 0.00 O
351
+ ATOM 350 N ARG A 48 10.807 18.913 39.554 1.00 0.00 N
352
+ ATOM 351 CA ARG A 48 10.380 20.266 39.212 1.00 0.00 C
353
+ ATOM 352 C ARG A 48 10.775 21.257 40.301 1.00 0.00 C
354
+ ATOM 353 CB ARG A 48 8.866 20.312 38.986 1.00 0.00 C
355
+ ATOM 354 O ARG A 48 10.819 22.466 40.061 1.00 0.00 O
356
+ ATOM 355 CG ARG A 48 8.398 19.509 37.783 1.00 0.00 C
357
+ ATOM 356 CD ARG A 48 6.906 19.681 37.536 1.00 0.00 C
358
+ ATOM 357 NE ARG A 48 6.451 18.878 36.404 1.00 0.00 N
359
+ ATOM 358 NH1 ARG A 48 4.281 19.668 36.450 1.00 0.00 N
360
+ ATOM 359 NH2 ARG A 48 4.908 18.119 34.882 1.00 0.00 N
361
+ ATOM 360 CZ ARG A 48 5.214 18.891 35.915 1.00 0.00 C
362
+ ATOM 361 N GLU A 49 11.189 20.755 41.456 1.00 0.00 N
363
+ ATOM 362 CA GLU A 49 11.454 21.633 42.592 1.00 0.00 C
364
+ ATOM 363 C GLU A 49 12.949 21.894 42.750 1.00 0.00 C
365
+ ATOM 364 CB GLU A 49 10.886 21.031 43.880 1.00 0.00 C
366
+ ATOM 365 O GLU A 49 13.361 22.680 43.606 1.00 0.00 O
367
+ ATOM 366 CG GLU A 49 9.370 20.903 43.883 1.00 0.00 C
368
+ ATOM 367 CD GLU A 49 8.765 20.954 45.277 1.00 0.00 C
369
+ ATOM 368 OE1 GLU A 49 9.481 20.652 46.260 1.00 0.00 O
370
+ ATOM 369 OE2 GLU A 49 7.568 21.297 45.387 1.00 0.00 O
371
+ ATOM 370 N HIS A 50 13.749 21.168 42.108 1.00 0.00 N
372
+ ATOM 371 CA HIS A 50 15.188 21.368 42.236 1.00 0.00 C
373
+ ATOM 372 C HIS A 50 15.690 22.413 41.245 1.00 0.00 C
374
+ ATOM 373 CB HIS A 50 15.932 20.047 42.029 1.00 0.00 C
375
+ ATOM 374 O HIS A 50 15.244 22.449 40.097 1.00 0.00 O
376
+ ATOM 375 CG HIS A 50 17.358 20.085 42.480 1.00 0.00 C
377
+ ATOM 376 CD2 HIS A 50 17.972 19.502 43.536 1.00 0.00 C
378
+ ATOM 377 ND1 HIS A 50 18.331 20.794 41.809 1.00 0.00 N
379
+ ATOM 378 CE1 HIS A 50 19.486 20.644 42.436 1.00 0.00 C
380
+ ATOM 379 NE2 HIS A 50 19.296 19.865 43.487 1.00 0.00 N
381
+ ATOM 380 N PRO A 51 16.545 23.234 41.745 1.00 0.00 N
382
+ ATOM 381 CA PRO A 51 17.109 24.245 40.849 1.00 0.00 C
383
+ ATOM 382 C PRO A 51 17.952 23.638 39.730 1.00 0.00 C
384
+ ATOM 383 CB PRO A 51 17.972 25.099 41.781 1.00 0.00 C
385
+ ATOM 384 O PRO A 51 18.595 22.603 39.929 1.00 0.00 O
386
+ ATOM 385 CG PRO A 51 18.275 24.210 42.944 1.00 0.00 C
387
+ ATOM 386 CD PRO A 51 17.173 23.198 43.070 1.00 0.00 C
388
+ ATOM 387 N ASP A 52 17.928 24.217 38.537 1.00 0.00 N
389
+ ATOM 388 CA ASP A 52 18.592 23.789 37.309 1.00 0.00 C
390
+ ATOM 389 C ASP A 52 20.069 24.177 37.319 1.00 0.00 C
391
+ ATOM 390 CB ASP A 52 17.898 24.390 36.085 1.00 0.00 C
392
+ ATOM 391 O ASP A 52 20.755 24.060 36.301 1.00 0.00 O
393
+ ATOM 392 CG ASP A 52 16.493 23.853 35.877 1.00 0.00 C
394
+ ATOM 393 OD1 ASP A 52 16.139 22.818 36.483 1.00 0.00 O
395
+ ATOM 394 OD2 ASP A 52 15.735 24.468 35.098 1.00 0.00 O
396
+ ATOM 395 N GLN A 53 20.718 24.444 38.457 1.00 0.00 N
397
+ ATOM 396 CA GLN A 53 22.083 24.959 38.464 1.00 0.00 C
398
+ ATOM 397 C GLN A 53 23.100 23.828 38.349 1.00 0.00 C
399
+ ATOM 398 CB GLN A 53 22.345 25.773 39.732 1.00 0.00 C
400
+ ATOM 399 O GLN A 53 22.988 22.813 39.042 1.00 0.00 O
401
+ ATOM 400 CG GLN A 53 21.595 27.098 39.779 1.00 0.00 C
402
+ ATOM 401 CD GLN A 53 21.936 27.922 41.006 1.00 0.00 C
403
+ ATOM 402 NE2 GLN A 53 21.314 29.091 41.126 1.00 0.00 N
404
+ ATOM 403 OE1 GLN A 53 22.750 27.513 41.839 1.00 0.00 O
405
+ ATOM 404 N GLY A 54 24.002 23.932 37.326 1.00 0.00 N
406
+ ATOM 405 CA GLY A 54 25.149 23.056 37.144 1.00 0.00 C
407
+ ATOM 406 C GLY A 54 24.801 21.754 36.447 1.00 0.00 C
408
+ ATOM 407 O GLY A 54 25.635 20.852 36.354 1.00 0.00 O
409
+ ATOM 408 N LEU A 55 23.587 21.609 35.951 1.00 0.00 N
410
+ ATOM 409 CA LEU A 55 23.140 20.382 35.298 1.00 0.00 C
411
+ ATOM 410 C LEU A 55 23.753 20.254 33.907 1.00 0.00 C
412
+ ATOM 411 CB LEU A 55 21.613 20.352 35.201 1.00 0.00 C
413
+ ATOM 412 O LEU A 55 24.114 21.257 33.288 1.00 0.00 O
414
+ ATOM 413 CG LEU A 55 20.848 20.370 36.526 1.00 0.00 C
415
+ ATOM 414 CD1 LEU A 55 19.349 20.489 36.271 1.00 0.00 C
416
+ ATOM 415 CD2 LEU A 55 21.161 19.120 37.340 1.00 0.00 C
417
+ ATOM 416 N ILE A 56 23.778 19.059 33.345 1.00 0.00 N
418
+ ATOM 417 CA ILE A 56 24.256 18.781 31.995 1.00 0.00 C
419
+ ATOM 418 C ILE A 56 23.363 19.487 30.976 1.00 0.00 C
420
+ ATOM 419 CB ILE A 56 24.297 17.263 31.710 1.00 0.00 C
421
+ ATOM 420 O ILE A 56 23.855 20.042 29.991 1.00 0.00 O
422
+ ATOM 421 CG1 ILE A 56 25.418 16.599 32.518 1.00 0.00 C
423
+ ATOM 422 CG2 ILE A 56 24.471 16.999 30.212 1.00 0.00 C
424
+ ATOM 423 CD1 ILE A 56 25.418 15.078 32.442 1.00 0.00 C
425
+ ATOM 424 N CYS A 57 22.138 19.452 31.181 1.00 0.00 N
426
+ ATOM 425 CA CYS A 57 21.133 20.146 30.384 1.00 0.00 C
427
+ ATOM 426 C CYS A 57 20.371 21.161 31.228 1.00 0.00 C
428
+ ATOM 427 CB CYS A 57 20.155 19.146 29.767 1.00 0.00 C
429
+ ATOM 428 O CYS A 57 19.590 20.785 32.104 1.00 0.00 O
430
+ ATOM 429 SG CYS A 57 18.974 19.896 28.624 1.00 0.00 S
431
+ ATOM 430 N HIS A 58 20.527 22.406 30.931 1.00 0.00 N
432
+ ATOM 431 CA HIS A 58 19.947 23.474 31.737 1.00 0.00 C
433
+ ATOM 432 C HIS A 58 18.487 23.712 31.368 1.00 0.00 C
434
+ ATOM 433 CB HIS A 58 20.749 24.766 31.571 1.00 0.00 C
435
+ ATOM 434 O HIS A 58 17.766 24.407 32.088 1.00 0.00 O
436
+ ATOM 435 CG HIS A 58 22.157 24.667 32.067 1.00 0.00 C
437
+ ATOM 436 CD2 HIS A 58 23.326 24.528 31.399 1.00 0.00 C
438
+ ATOM 437 ND1 HIS A 58 22.478 24.706 33.406 1.00 0.00 N
439
+ ATOM 438 CE1 HIS A 58 23.789 24.596 33.542 1.00 0.00 C
440
+ ATOM 439 NE2 HIS A 58 24.327 24.486 32.339 1.00 0.00 N
441
+ ATOM 440 N ASP A 59 18.121 23.104 30.281 1.00 0.00 N
442
+ ATOM 441 CA ASP A 59 16.753 23.281 29.803 1.00 0.00 C
443
+ ATOM 442 C ASP A 59 15.841 22.173 30.325 1.00 0.00 C
444
+ ATOM 443 CB ASP A 59 16.718 23.313 28.274 1.00 0.00 C
445
+ ATOM 444 O ASP A 59 14.674 22.089 29.938 1.00 0.00 O
446
+ ATOM 445 CG ASP A 59 17.384 24.547 27.691 1.00 0.00 C
447
+ ATOM 446 OD1 ASP A 59 17.338 25.623 28.326 1.00 0.00 O
448
+ ATOM 447 OD2 ASP A 59 17.958 24.444 26.585 1.00 0.00 O
449
+ ATOM 448 N ALA A 60 16.304 21.295 31.146 1.00 0.00 N
450
+ ATOM 449 CA ALA A 60 15.548 20.211 31.767 1.00 0.00 C
451
+ ATOM 450 C ALA A 60 15.764 20.186 33.277 1.00 0.00 C
452
+ ATOM 451 CB ALA A 60 15.942 18.868 31.155 1.00 0.00 C
453
+ ATOM 452 O ALA A 60 16.784 20.671 33.773 1.00 0.00 O
454
+ ATOM 453 N PHE A 61 14.812 19.622 33.970 1.00 0.00 N
455
+ ATOM 454 CA PHE A 61 14.898 19.550 35.424 1.00 0.00 C
456
+ ATOM 455 C PHE A 61 15.947 18.533 35.855 1.00 0.00 C
457
+ ATOM 456 CB PHE A 61 13.536 19.186 36.026 1.00 0.00 C
458
+ ATOM 457 O PHE A 61 16.363 17.687 35.060 1.00 0.00 O
459
+ ATOM 458 CG PHE A 61 12.458 20.196 35.741 1.00 0.00 C
460
+ ATOM 459 CD1 PHE A 61 12.643 21.538 36.046 1.00 0.00 C
461
+ ATOM 460 CD2 PHE A 61 11.255 19.801 35.167 1.00 0.00 C
462
+ ATOM 461 CE1 PHE A 61 11.646 22.475 35.782 1.00 0.00 C
463
+ ATOM 462 CE2 PHE A 61 10.254 20.732 34.901 1.00 0.00 C
464
+ ATOM 463 CZ PHE A 61 10.452 22.067 35.211 1.00 0.00 C
465
+ ATOM 464 N CYS A 62 16.324 18.672 37.095 1.00 0.00 N
466
+ ATOM 465 CA CYS A 62 17.238 17.699 37.682 1.00 0.00 C
467
+ ATOM 466 C CYS A 62 16.632 16.302 37.666 1.00 0.00 C
468
+ ATOM 467 CB CYS A 62 17.596 18.094 39.115 1.00 0.00 C
469
+ ATOM 468 O CYS A 62 15.475 16.119 38.048 1.00 0.00 O
470
+ ATOM 469 SG CYS A 62 18.918 17.099 39.836 1.00 0.00 S
471
+ ATOM 470 N GLY A 63 17.395 15.336 37.238 1.00 0.00 N
472
+ ATOM 471 CA GLY A 63 16.942 13.953 37.237 1.00 0.00 C
473
+ ATOM 472 C GLY A 63 16.138 13.590 36.004 1.00 0.00 C
474
+ ATOM 473 O GLY A 63 15.624 12.474 35.898 1.00 0.00 O
475
+ ATOM 474 N ALA A 64 15.946 14.526 35.082 1.00 0.00 N
476
+ ATOM 475 CA ALA A 64 15.163 14.282 33.873 1.00 0.00 C
477
+ ATOM 476 C ALA A 64 15.969 13.490 32.848 1.00 0.00 C
478
+ ATOM 477 CB ALA A 64 14.690 15.602 33.269 1.00 0.00 C
479
+ ATOM 478 O ALA A 64 17.200 13.451 32.914 1.00 0.00 O
480
+ ATOM 479 N LEU A 65 15.297 12.914 31.915 1.00 0.00 N
481
+ ATOM 480 CA LEU A 65 15.915 12.309 30.740 1.00 0.00 C
482
+ ATOM 481 C LEU A 65 16.229 13.366 29.686 1.00 0.00 C
483
+ ATOM 482 CB LEU A 65 15.000 11.234 30.146 1.00 0.00 C
484
+ ATOM 483 O LEU A 65 15.358 14.155 29.314 1.00 0.00 O
485
+ ATOM 484 CG LEU A 65 15.538 10.484 28.926 1.00 0.00 C
486
+ ATOM 485 CD1 LEU A 65 16.763 9.661 29.310 1.00 0.00 C
487
+ ATOM 486 CD2 LEU A 65 14.455 9.593 28.326 1.00 0.00 C
488
+ ATOM 487 N VAL A 66 17.434 13.365 29.215 1.00 0.00 N
489
+ ATOM 488 CA VAL A 66 17.864 14.253 28.140 1.00 0.00 C
490
+ ATOM 489 C VAL A 66 18.607 13.451 27.074 1.00 0.00 C
491
+ ATOM 490 CB VAL A 66 18.761 15.394 28.671 1.00 0.00 C
492
+ ATOM 491 O VAL A 66 18.987 12.301 27.306 1.00 0.00 O
493
+ ATOM 492 CG1 VAL A 66 18.065 16.144 29.805 1.00 0.00 C
494
+ ATOM 493 CG2 VAL A 66 20.106 14.842 29.137 1.00 0.00 C
495
+ ATOM 494 N MET A 67 18.781 14.041 25.950 1.00 0.00 N
496
+ ATOM 495 CA MET A 67 19.461 13.327 24.873 1.00 0.00 C
497
+ ATOM 496 C MET A 67 20.502 14.218 24.202 1.00 0.00 C
498
+ ATOM 497 CB MET A 67 18.453 12.828 23.836 1.00 0.00 C
499
+ ATOM 498 O MET A 67 20.429 15.444 24.295 1.00 0.00 O
500
+ ATOM 499 CG MET A 67 17.765 13.943 23.064 1.00 0.00 C
501
+ ATOM 500 SD MET A 67 16.594 13.305 21.803 1.00 0.00 S
502
+ ATOM 501 CE MET A 67 16.015 14.868 21.087 1.00 0.00 C
503
+ ATOM 502 N LYS A 68 21.415 13.562 23.696 1.00 0.00 N
504
+ ATOM 503 CA LYS A 68 22.426 14.141 22.816 1.00 0.00 C
505
+ ATOM 504 C LYS A 68 22.498 13.388 21.490 1.00 0.00 C
506
+ ATOM 505 CB LYS A 68 23.797 14.136 23.496 1.00 0.00 C
507
+ ATOM 506 O LYS A 68 22.387 12.160 21.461 1.00 0.00 O
508
+ ATOM 507 CG LYS A 68 24.881 14.857 22.709 1.00 0.00 C
509
+ ATOM 508 CD LYS A 68 26.211 14.846 23.451 1.00 0.00 C
510
+ ATOM 509 CE LYS A 68 27.308 15.526 22.643 1.00 0.00 C
511
+ ATOM 510 NZ LYS A 68 28.621 15.495 23.356 1.00 0.00 N
512
+ ATOM 511 N ILE A 69 22.638 14.128 20.362 1.00 0.00 N
513
+ ATOM 512 CA ILE A 69 22.780 13.511 19.046 1.00 0.00 C
514
+ ATOM 513 C ILE A 69 24.141 13.869 18.453 1.00 0.00 C
515
+ ATOM 514 CB ILE A 69 21.647 13.948 18.091 1.00 0.00 C
516
+ ATOM 515 O ILE A 69 24.412 15.038 18.168 1.00 0.00 O
517
+ ATOM 516 CG1 ILE A 69 20.279 13.644 18.710 1.00 0.00 C
518
+ ATOM 517 CG2 ILE A 69 21.797 13.266 16.729 1.00 0.00 C
519
+ ATOM 518 CD1 ILE A 69 19.111 14.302 17.989 1.00 0.00 C
520
+ ATOM 519 N GLY A 70 24.941 12.848 18.270 1.00 0.00 N
521
+ ATOM 520 CA GLY A 70 26.289 13.144 17.814 1.00 0.00 C
522
+ ATOM 521 C GLY A 70 27.006 14.157 18.688 1.00 0.00 C
523
+ ATOM 522 O GLY A 70 27.178 13.939 19.888 1.00 0.00 O
524
+ ATOM 523 N ASN A 71 27.400 15.257 18.154 1.00 0.00 N
525
+ ATOM 524 CA ASN A 71 28.139 16.300 18.860 1.00 0.00 C
526
+ ATOM 525 C ASN A 71 27.236 17.476 19.223 1.00 0.00 C
527
+ ATOM 526 CB ASN A 71 29.324 16.780 18.020 1.00 0.00 C
528
+ ATOM 527 O ASN A 71 27.725 18.562 19.543 1.00 0.00 O
529
+ ATOM 528 CG ASN A 71 30.408 15.729 17.888 1.00 0.00 C
530
+ ATOM 529 ND2 ASN A 71 31.137 15.765 16.778 1.00 0.00 N
531
+ ATOM 530 OD1 ASN A 71 30.591 14.893 18.776 1.00 0.00 O
532
+ ATOM 531 N SER A 72 25.963 17.228 19.125 1.00 0.00 N
533
+ ATOM 532 CA SER A 72 25.042 18.303 19.479 1.00 0.00 C
534
+ ATOM 533 C SER A 72 25.094 18.605 20.973 1.00 0.00 C
535
+ ATOM 534 CB SER A 72 23.613 17.942 19.072 1.00 0.00 C
536
+ ATOM 535 O SER A 72 25.695 17.853 21.743 1.00 0.00 O
537
+ ATOM 536 OG SER A 72 23.073 16.968 19.948 1.00 0.00 O
538
+ ATOM 537 N GLY A 73 24.496 19.820 21.410 1.00 0.00 N
539
+ ATOM 538 CA GLY A 73 24.176 20.027 22.814 1.00 0.00 C
540
+ ATOM 539 C GLY A 73 23.107 19.083 23.328 1.00 0.00 C
541
+ ATOM 540 O GLY A 73 22.542 18.299 22.561 1.00 0.00 O
542
+ ATOM 541 N THR A 74 22.948 19.117 24.602 1.00 0.00 N
543
+ ATOM 542 CA THR A 74 21.920 18.279 25.209 1.00 0.00 C
544
+ ATOM 543 C THR A 74 20.529 18.837 24.923 1.00 0.00 C
545
+ ATOM 544 CB THR A 74 22.125 18.159 26.730 1.00 0.00 C
546
+ ATOM 545 O THR A 74 20.341 20.054 24.872 1.00 0.00 O
547
+ ATOM 546 CG2 THR A 74 23.377 17.352 27.055 1.00 0.00 C
548
+ ATOM 547 OG1 THR A 74 22.255 19.470 27.294 1.00 0.00 O
549
+ ATOM 548 N ILE A 75 19.552 17.992 24.699 1.00 0.00 N
550
+ ATOM 549 CA ILE A 75 18.166 18.305 24.369 1.00 0.00 C
551
+ ATOM 550 C ILE A 75 17.234 17.660 25.392 1.00 0.00 C
552
+ ATOM 551 CB ILE A 75 17.805 17.834 22.942 1.00 0.00 C
553
+ ATOM 552 O ILE A 75 17.304 16.452 25.630 1.00 0.00 O
554
+ ATOM 553 CG1 ILE A 75 18.757 18.460 21.916 1.00 0.00 C
555
+ ATOM 554 CG2 ILE A 75 16.347 18.172 22.614 1.00 0.00 C
556
+ ATOM 555 CD1 ILE A 75 18.827 17.704 20.596 1.00 0.00 C
557
+ ATOM 556 N PRO A 76 16.362 18.417 26.003 1.00 0.00 N
558
+ ATOM 557 CA PRO A 76 15.389 17.800 26.907 1.00 0.00 C
559
+ ATOM 558 C PRO A 76 14.452 16.829 26.192 1.00 0.00 C
560
+ ATOM 559 CB PRO A 76 14.615 18.998 27.463 1.00 0.00 C
561
+ ATOM 560 O PRO A 76 13.998 17.110 25.080 1.00 0.00 O
562
+ ATOM 561 CG PRO A 76 15.469 20.183 27.149 1.00 0.00 C
563
+ ATOM 562 CD PRO A 76 16.320 19.856 25.956 1.00 0.00 C
564
+ ATOM 563 N VAL A 77 14.307 15.717 26.757 1.00 0.00 N
565
+ ATOM 564 CA VAL A 77 13.309 14.769 26.271 1.00 0.00 C
566
+ ATOM 565 C VAL A 77 11.995 14.973 27.023 1.00 0.00 C
567
+ ATOM 566 CB VAL A 77 13.789 13.309 26.425 1.00 0.00 C
568
+ ATOM 567 O VAL A 77 11.926 14.760 28.236 1.00 0.00 O
569
+ ATOM 568 CG1 VAL A 77 12.696 12.332 26.000 1.00 0.00 C
570
+ ATOM 569 CG2 VAL A 77 15.062 13.079 25.612 1.00 0.00 C
571
+ ATOM 570 N ASN A 78 11.105 15.649 26.528 1.00 0.00 N
572
+ ATOM 571 CA ASN A 78 9.789 15.937 27.089 1.00 0.00 C
573
+ ATOM 572 C ASN A 78 8.937 14.677 27.196 1.00 0.00 C
574
+ ATOM 573 CB ASN A 78 9.068 16.997 26.251 1.00 0.00 C
575
+ ATOM 574 O ASN A 78 8.759 13.958 26.212 1.00 0.00 O
576
+ ATOM 575 CG ASN A 78 9.709 18.366 26.364 1.00 0.00 C
577
+ ATOM 576 ND2 ASN A 78 9.555 19.180 25.327 1.00 0.00 N
578
+ ATOM 577 OD1 ASN A 78 10.337 18.689 27.375 1.00 0.00 O
579
+ ATOM 578 N THR A 79 8.766 14.198 28.406 1.00 0.00 N
580
+ ATOM 579 CA THR A 79 8.278 12.847 28.665 1.00 0.00 C
581
+ ATOM 580 C THR A 79 6.761 12.782 28.508 1.00 0.00 C
582
+ ATOM 581 CB THR A 79 8.672 12.372 30.075 1.00 0.00 C
583
+ ATOM 582 O THR A 79 6.085 13.813 28.516 1.00 0.00 O
584
+ ATOM 583 CG2 THR A 79 10.188 12.334 30.239 1.00 0.00 C
585
+ ATOM 584 OG1 THR A 79 8.120 13.269 31.047 1.00 0.00 O
586
+ ATOM 585 N GLY A 80 6.145 11.720 28.131 1.00 0.00 N
587
+ ATOM 586 CA GLY A 80 4.982 11.031 27.596 1.00 0.00 C
588
+ ATOM 587 C GLY A 80 5.229 10.413 26.233 1.00 0.00 C
589
+ ATOM 588 O GLY A 80 5.643 9.256 26.135 1.00 0.00 O
590
+ ATOM 589 N LEU A 81 4.930 11.258 25.340 1.00 0.00 N
591
+ ATOM 590 CA LEU A 81 5.291 11.060 23.940 1.00 0.00 C
592
+ ATOM 591 C LEU A 81 6.109 12.236 23.418 1.00 0.00 C
593
+ ATOM 592 CB LEU A 81 4.035 10.877 23.083 1.00 0.00 C
594
+ ATOM 593 O LEU A 81 5.587 13.342 23.266 1.00 0.00 O
595
+ ATOM 594 CG LEU A 81 4.263 10.504 21.618 1.00 0.00 C
596
+ ATOM 595 CD1 LEU A 81 4.696 9.046 21.503 1.00 0.00 C
597
+ ATOM 596 CD2 LEU A 81 3.003 10.758 20.798 1.00 0.00 C
598
+ ATOM 597 N PHE A 82 7.305 12.118 23.442 1.00 0.00 N
599
+ ATOM 598 CA PHE A 82 8.190 13.121 22.859 1.00 0.00 C
600
+ ATOM 599 C PHE A 82 8.409 12.852 21.376 1.00 0.00 C
601
+ ATOM 600 CB PHE A 82 9.534 13.146 23.593 1.00 0.00 C
602
+ ATOM 601 O PHE A 82 8.802 11.748 20.991 1.00 0.00 O
603
+ ATOM 602 CG PHE A 82 10.484 14.197 23.084 1.00 0.00 C
604
+ ATOM 603 CD1 PHE A 82 10.310 15.532 23.423 1.00 0.00 C
605
+ ATOM 604 CD2 PHE A 82 11.550 13.847 22.266 1.00 0.00 C
606
+ ATOM 605 CE1 PHE A 82 11.188 16.507 22.953 1.00 0.00 C
607
+ ATOM 606 CE2 PHE A 82 12.431 14.815 21.793 1.00 0.00 C
608
+ ATOM 607 CZ PHE A 82 12.248 16.145 22.136 1.00 0.00 C
609
+ ATOM 608 N ARG A 83 7.924 13.722 20.696 1.00 0.00 N
610
+ ATOM 609 CA ARG A 83 8.141 13.691 19.253 1.00 0.00 C
611
+ ATOM 610 C ARG A 83 9.014 14.858 18.805 1.00 0.00 C
612
+ ATOM 611 CB ARG A 83 6.805 13.719 18.508 1.00 0.00 C
613
+ ATOM 612 O ARG A 83 8.740 16.011 19.143 1.00 0.00 O
614
+ ATOM 613 CG ARG A 83 6.898 13.265 17.059 1.00 0.00 C
615
+ ATOM 614 CD ARG A 83 5.529 13.216 16.395 1.00 0.00 C
616
+ ATOM 615 NE ARG A 83 5.629 12.871 14.980 1.00 0.00 N
617
+ ATOM 616 NH1 ARG A 83 3.394 13.235 14.521 1.00 0.00 N
618
+ ATOM 617 NH2 ARG A 83 4.815 12.556 12.856 1.00 0.00 N
619
+ ATOM 618 CZ ARG A 83 4.612 12.888 14.122 1.00 0.00 C
620
+ ATOM 619 N TRP A 84 10.067 14.515 18.158 1.00 0.00 N
621
+ ATOM 620 CA TRP A 84 11.058 15.534 17.825 1.00 0.00 C
622
+ ATOM 621 C TRP A 84 11.505 15.403 16.372 1.00 0.00 C
623
+ ATOM 622 CB TRP A 84 12.269 15.432 18.756 1.00 0.00 C
624
+ ATOM 623 O TRP A 84 11.777 14.298 15.897 1.00 0.00 O
625
+ ATOM 624 CG TRP A 84 13.164 16.633 18.724 1.00 0.00 C
626
+ ATOM 625 CD1 TRP A 84 12.891 17.878 19.218 1.00 0.00 C
627
+ ATOM 626 CD2 TRP A 84 14.479 16.705 18.162 1.00 0.00 C
628
+ ATOM 627 CE2 TRP A 84 14.944 18.025 18.353 1.00 0.00 C
629
+ ATOM 628 CE3 TRP A 84 15.310 15.779 17.517 1.00 0.00 C
630
+ ATOM 629 NE1 TRP A 84 13.957 18.719 18.999 1.00 0.00 N
631
+ ATOM 630 CH2 TRP A 84 16.998 17.517 17.292 1.00 0.00 C
632
+ ATOM 631 CZ2 TRP A 84 16.205 18.442 17.921 1.00 0.00 C
633
+ ATOM 632 CZ3 TRP A 84 16.564 16.197 17.088 1.00 0.00 C
634
+ ATOM 633 N VAL A 85 11.467 16.414 15.613 1.00 0.00 N
635
+ ATOM 634 CA VAL A 85 11.916 16.474 14.225 1.00 0.00 C
636
+ ATOM 635 C VAL A 85 13.284 17.148 14.154 1.00 0.00 C
637
+ ATOM 636 CB VAL A 85 10.904 17.226 13.333 1.00 0.00 C
638
+ ATOM 637 O VAL A 85 13.461 18.262 14.655 1.00 0.00 O
639
+ ATOM 638 CG1 VAL A 85 11.374 17.243 11.880 1.00 0.00 C
640
+ ATOM 639 CG2 VAL A 85 9.520 16.588 13.444 1.00 0.00 C
641
+ ATOM 640 N ALA A 86 14.331 16.497 13.732 1.00 0.00 N
642
+ ATOM 641 CA ALA A 86 15.714 16.966 13.711 1.00 0.00 C
643
+ ATOM 642 C ALA A 86 15.848 18.241 12.884 1.00 0.00 C
644
+ ATOM 643 CB ALA A 86 16.636 15.879 13.161 1.00 0.00 C
645
+ ATOM 644 O ALA A 86 15.239 18.365 11.820 1.00 0.00 O
646
+ ATOM 645 N PRO A 87 16.600 19.128 13.497 1.00 0.00 N
647
+ ATOM 646 CA PRO A 87 17.051 20.213 12.621 1.00 0.00 C
648
+ ATOM 647 C PRO A 87 18.078 19.750 11.590 1.00 0.00 C
649
+ ATOM 648 CB PRO A 87 17.670 21.218 13.596 1.00 0.00 C
650
+ ATOM 649 O PRO A 87 18.714 18.709 11.771 1.00 0.00 O
651
+ ATOM 650 CG PRO A 87 17.392 20.654 14.952 1.00 0.00 C
652
+ ATOM 651 CD PRO A 87 16.891 19.248 14.792 1.00 0.00 C
653
+ ATOM 652 N ASN A 88 18.255 20.294 10.480 1.00 0.00 N
654
+ ATOM 653 CA ASN A 88 19.038 19.880 9.320 1.00 0.00 C
655
+ ATOM 654 C ASN A 88 20.513 19.707 9.672 1.00 0.00 C
656
+ ATOM 655 CB ASN A 88 18.879 20.887 8.179 1.00 0.00 C
657
+ ATOM 656 O ASN A 88 21.256 19.049 8.942 1.00 0.00 O
658
+ ATOM 657 CG ASN A 88 17.513 20.818 7.525 1.00 0.00 C
659
+ ATOM 658 ND2 ASN A 88 17.135 21.883 6.828 1.00 0.00 N
660
+ ATOM 659 OD1 ASN A 88 16.805 19.815 7.644 1.00 0.00 O
661
+ ATOM 660 N ASN A 89 20.976 20.137 10.815 1.00 0.00 N
662
+ ATOM 661 CA ASN A 89 22.416 20.155 11.052 1.00 0.00 C
663
+ ATOM 662 C ASN A 89 22.811 19.197 12.172 1.00 0.00 C
664
+ ATOM 663 CB ASN A 89 22.889 21.574 11.374 1.00 0.00 C
665
+ ATOM 664 O ASN A 89 23.907 19.302 12.726 1.00 0.00 O
666
+ ATOM 665 CG ASN A 89 22.225 22.143 12.612 1.00 0.00 C
667
+ ATOM 666 ND2 ASN A 89 22.890 23.094 13.258 1.00 0.00 N
668
+ ATOM 667 OD1 ASN A 89 21.124 21.731 12.987 1.00 0.00 O
669
+ ATOM 668 N VAL A 90 22.007 18.375 12.569 1.00 0.00 N
670
+ ATOM 669 CA VAL A 90 22.305 17.436 13.646 1.00 0.00 C
671
+ ATOM 670 C VAL A 90 22.252 16.006 13.114 1.00 0.00 C
672
+ ATOM 671 CB VAL A 90 21.327 17.601 14.830 1.00 0.00 C
673
+ ATOM 672 O VAL A 90 21.300 15.628 12.428 1.00 0.00 O
674
+ ATOM 673 CG1 VAL A 90 21.649 16.601 15.939 1.00 0.00 C
675
+ ATOM 674 CG2 VAL A 90 21.374 19.031 15.366 1.00 0.00 C
676
+ ATOM 675 N GLN A 91 23.294 15.276 13.286 1.00 0.00 N
677
+ ATOM 676 CA GLN A 91 23.382 13.882 12.866 1.00 0.00 C
678
+ ATOM 677 C GLN A 91 24.268 13.077 13.812 1.00 0.00 C
679
+ ATOM 678 CB GLN A 91 23.916 13.784 11.436 1.00 0.00 C
680
+ ATOM 679 O GLN A 91 25.174 13.627 14.440 1.00 0.00 O
681
+ ATOM 680 CG GLN A 91 25.382 14.176 11.300 1.00 0.00 C
682
+ ATOM 681 CD GLN A 91 25.902 14.020 9.883 1.00 0.00 C
683
+ ATOM 682 NE2 GLN A 91 27.219 13.910 9.743 1.00 0.00 N
684
+ ATOM 683 OE1 GLN A 91 25.126 13.996 8.923 1.00 0.00 O
685
+ ATOM 684 N GLY A 92 23.949 11.779 13.867 1.00 0.00 N
686
+ ATOM 685 CA GLY A 92 24.759 10.875 14.667 1.00 0.00 C
687
+ ATOM 686 C GLY A 92 23.943 10.033 15.628 1.00 0.00 C
688
+ ATOM 687 O GLY A 92 22.712 10.037 15.574 1.00 0.00 O
689
+ ATOM 688 N ALA A 93 24.695 9.332 16.452 1.00 0.00 N
690
+ ATOM 689 CA ALA A 93 24.061 8.430 17.410 1.00 0.00 C
691
+ ATOM 690 C ALA A 93 23.360 9.211 18.518 1.00 0.00 C
692
+ ATOM 691 CB ALA A 93 25.092 7.476 18.006 1.00 0.00 C
693
+ ATOM 692 O ALA A 93 23.845 10.259 18.949 1.00 0.00 O
694
+ ATOM 693 N ILE A 94 22.240 8.705 18.930 1.00 0.00 N
695
+ ATOM 694 CA ILE A 94 21.538 9.276 20.075 1.00 0.00 C
696
+ ATOM 695 C ILE A 94 22.134 8.728 21.371 1.00 0.00 C
697
+ ATOM 696 CB ILE A 94 20.023 8.978 20.015 1.00 0.00 C
698
+ ATOM 697 O ILE A 94 22.298 7.515 21.522 1.00 0.00 O
699
+ ATOM 698 CG1 ILE A 94 19.398 9.639 18.780 1.00 0.00 C
700
+ ATOM 699 CG2 ILE A 94 19.330 9.448 21.297 1.00 0.00 C
701
+ ATOM 700 CD1 ILE A 94 17.909 9.365 18.619 1.00 0.00 C
702
+ ATOM 701 N THR A 95 22.541 9.572 22.206 1.00 0.00 N
703
+ ATOM 702 CA THR A 95 22.928 9.251 23.575 1.00 0.00 C
704
+ ATOM 703 C THR A 95 21.876 9.748 24.563 1.00 0.00 C
705
+ ATOM 704 CB THR A 95 24.296 9.864 23.927 1.00 0.00 C
706
+ ATOM 705 O THR A 95 21.474 10.912 24.518 1.00 0.00 O
707
+ ATOM 706 CG2 THR A 95 24.739 9.452 25.326 1.00 0.00 C
708
+ ATOM 707 OG1 THR A 95 25.272 9.416 22.977 1.00 0.00 O
709
+ ATOM 708 N LEU A 96 21.418 8.894 25.388 1.00 0.00 N
710
+ ATOM 709 CA LEU A 96 20.464 9.257 26.430 1.00 0.00 C
711
+ ATOM 710 C LEU A 96 21.163 9.414 27.776 1.00 0.00 C
712
+ ATOM 711 CB LEU A 96 19.360 8.201 26.536 1.00 0.00 C
713
+ ATOM 712 O LEU A 96 21.988 8.578 28.154 1.00 0.00 O
714
+ ATOM 713 CG LEU A 96 18.521 7.969 25.279 1.00 0.00 C
715
+ ATOM 714 CD1 LEU A 96 17.675 6.710 25.431 1.00 0.00 C
716
+ ATOM 715 CD2 LEU A 96 17.639 9.180 24.993 1.00 0.00 C
717
+ ATOM 716 N ILE A 97 20.821 10.457 28.553 1.00 0.00 N
718
+ ATOM 717 CA ILE A 97 21.556 10.807 29.762 1.00 0.00 C
719
+ ATOM 718 C ILE A 97 20.576 11.189 30.870 1.00 0.00 C
720
+ ATOM 719 CB ILE A 97 22.550 11.962 29.505 1.00 0.00 C
721
+ ATOM 720 O ILE A 97 19.561 11.840 30.612 1.00 0.00 O
722
+ ATOM 721 CG1 ILE A 97 23.450 11.635 28.308 1.00 0.00 C
723
+ ATOM 722 CG2 ILE A 97 23.385 12.246 30.757 1.00 0.00 C
724
+ ATOM 723 CD1 ILE A 97 24.223 12.831 27.770 1.00 0.00 C
725
+ ATOM 724 N TYR A 98 20.885 10.730 32.062 1.00 0.00 N
726
+ ATOM 725 CA TYR A 98 20.222 11.228 33.263 1.00 0.00 C
727
+ ATOM 726 C TYR A 98 20.729 12.619 33.629 1.00 0.00 C
728
+ ATOM 727 CB TYR A 98 20.441 10.267 34.435 1.00 0.00 C
729
+ ATOM 728 O TYR A 98 21.934 12.827 33.780 1.00 0.00 O
730
+ ATOM 729 CG TYR A 98 19.590 10.578 35.642 1.00 0.00 C
731
+ ATOM 730 CD1 TYR A 98 20.070 11.390 36.667 1.00 0.00 C
732
+ ATOM 731 CD2 TYR A 98 18.305 10.059 35.761 1.00 0.00 C
733
+ ATOM 732 CE1 TYR A 98 19.290 11.677 37.782 1.00 0.00 C
734
+ ATOM 733 CE2 TYR A 98 17.516 10.340 36.871 1.00 0.00 C
735
+ ATOM 734 OH TYR A 98 17.239 11.430 38.976 1.00 0.00 O
736
+ ATOM 735 CZ TYR A 98 18.016 11.149 37.875 1.00 0.00 C
737
+ ATOM 736 N ASN A 99 19.907 13.575 33.800 1.00 0.00 N
738
+ ATOM 737 CA ASN A 99 20.260 14.987 33.912 1.00 0.00 C
739
+ ATOM 738 C ASN A 99 20.651 15.355 35.341 1.00 0.00 C
740
+ ATOM 739 CB ASN A 99 19.105 15.869 33.434 1.00 0.00 C
741
+ ATOM 740 O ASN A 99 19.790 15.664 36.165 1.00 0.00 O
742
+ ATOM 741 CG ASN A 99 19.528 17.302 33.185 1.00 0.00 C
743
+ ATOM 742 ND2 ASN A 99 18.615 18.239 33.412 1.00 0.00 N
744
+ ATOM 743 OD1 ASN A 99 20.667 17.566 32.790 1.00 0.00 O
745
+ ATOM 744 N ASP A 100 21.881 15.360 35.626 1.00 0.00 N
746
+ ATOM 745 CA ASP A 100 22.452 15.684 36.929 1.00 0.00 C
747
+ ATOM 746 C ASP A 100 23.732 16.502 36.780 1.00 0.00 C
748
+ ATOM 747 CB ASP A 100 22.735 14.407 37.723 1.00 0.00 C
749
+ ATOM 748 O ASP A 100 24.247 16.662 35.671 1.00 0.00 O
750
+ ATOM 749 CG ASP A 100 22.864 14.653 39.216 1.00 0.00 C
751
+ ATOM 750 OD1 ASP A 100 22.642 15.798 39.668 1.00 0.00 O
752
+ ATOM 751 OD2 ASP A 100 23.195 13.695 39.948 1.00 0.00 O
753
+ ATOM 752 N VAL A 101 24.230 16.983 37.954 1.00 0.00 N
754
+ ATOM 753 CA VAL A 101 25.464 17.762 37.991 1.00 0.00 C
755
+ ATOM 754 C VAL A 101 26.656 16.856 37.691 1.00 0.00 C
756
+ ATOM 755 CB VAL A 101 25.654 18.459 39.357 1.00 0.00 C
757
+ ATOM 756 O VAL A 101 26.829 15.816 38.332 1.00 0.00 O
758
+ ATOM 757 CG1 VAL A 101 26.965 19.243 39.386 1.00 0.00 C
759
+ ATOM 758 CG2 VAL A 101 24.471 19.377 39.656 1.00 0.00 C
760
+ ATOM 759 N PRO A 102 27.453 17.218 36.706 1.00 0.00 N
761
+ ATOM 760 CA PRO A 102 28.630 16.396 36.418 1.00 0.00 C
762
+ ATOM 761 C PRO A 102 29.487 16.136 37.655 1.00 0.00 C
763
+ ATOM 762 CB PRO A 102 29.398 17.229 35.388 1.00 0.00 C
764
+ ATOM 763 O PRO A 102 29.682 17.037 38.475 1.00 0.00 O
765
+ ATOM 764 CG PRO A 102 28.352 18.048 34.702 1.00 0.00 C
766
+ ATOM 765 CD PRO A 102 27.317 18.445 35.717 1.00 0.00 C
767
+ ATOM 766 N GLY A 103 29.949 14.926 37.769 1.00 0.00 N
768
+ ATOM 767 CA GLY A 103 30.807 14.545 38.879 1.00 0.00 C
769
+ ATOM 768 C GLY A 103 30.034 14.057 40.089 1.00 0.00 C
770
+ ATOM 769 O GLY A 103 30.630 13.633 41.082 1.00 0.00 O
771
+ ATOM 770 N THR A 104 28.646 14.014 40.090 1.00 0.00 N
772
+ ATOM 771 CA THR A 104 27.842 13.703 41.267 1.00 0.00 C
773
+ ATOM 772 C THR A 104 27.030 12.430 41.047 1.00 0.00 C
774
+ ATOM 773 CB THR A 104 26.894 14.865 41.619 1.00 0.00 C
775
+ ATOM 774 O THR A 104 26.092 12.148 41.796 1.00 0.00 O
776
+ ATOM 775 CG2 THR A 104 27.662 16.173 41.776 1.00 0.00 C
777
+ ATOM 776 OG1 THR A 104 25.924 15.015 40.575 1.00 0.00 O
778
+ ATOM 777 N TYR A 105 27.356 11.621 40.013 1.00 0.00 N
779
+ ATOM 778 CA TYR A 105 26.488 10.519 39.618 1.00 0.00 C
780
+ ATOM 779 C TYR A 105 26.671 9.322 40.543 1.00 0.00 C
781
+ ATOM 780 CB TYR A 105 26.768 10.106 38.169 1.00 0.00 C
782
+ ATOM 781 O TYR A 105 25.956 8.324 40.426 1.00 0.00 O
783
+ ATOM 782 CG TYR A 105 26.077 10.975 37.147 1.00 0.00 C
784
+ ATOM 783 CD1 TYR A 105 25.120 10.443 36.285 1.00 0.00 C
785
+ ATOM 784 CD2 TYR A 105 26.381 12.328 37.038 1.00 0.00 C
786
+ ATOM 785 CE1 TYR A 105 24.482 11.240 35.339 1.00 0.00 C
787
+ ATOM 786 CE2 TYR A 105 25.750 13.134 36.097 1.00 0.00 C
788
+ ATOM 787 OH TYR A 105 24.175 13.375 34.319 1.00 0.00 O
789
+ ATOM 788 CZ TYR A 105 24.803 12.581 35.253 1.00 0.00 C
790
+ ATOM 789 N GLY A 106 27.703 9.394 41.530 1.00 0.00 N
791
+ ATOM 790 CA GLY A 106 27.981 8.263 42.400 1.00 0.00 C
792
+ ATOM 791 C GLY A 106 26.850 7.962 43.366 1.00 0.00 C
793
+ ATOM 792 O GLY A 106 26.711 6.830 43.834 1.00 0.00 O
794
+ ATOM 793 N ASN A 107 25.995 8.926 43.627 1.00 0.00 N
795
+ ATOM 794 CA ASN A 107 24.918 8.734 44.592 1.00 0.00 C
796
+ ATOM 795 C ASN A 107 23.579 8.504 43.899 1.00 0.00 C
797
+ ATOM 796 CB ASN A 107 24.826 9.932 45.539 1.00 0.00 C
798
+ ATOM 797 O ASN A 107 22.535 8.465 44.552 1.00 0.00 O
799
+ ATOM 798 CG ASN A 107 24.482 11.221 44.820 1.00 0.00 C
800
+ ATOM 799 ND2 ASN A 107 24.042 12.222 45.573 1.00 0.00 N
801
+ ATOM 800 OD1 ASN A 107 24.610 11.316 43.596 1.00 0.00 O
802
+ ATOM 801 N ASN A 108 23.608 8.427 42.494 1.00 0.00 N
803
+ ATOM 802 CA ASN A 108 22.372 8.190 41.755 1.00 0.00 C
804
+ ATOM 803 C ASN A 108 21.971 6.718 41.790 1.00 0.00 C
805
+ ATOM 804 CB ASN A 108 22.512 8.666 40.307 1.00 0.00 C
806
+ ATOM 805 O ASN A 108 22.829 5.839 41.902 1.00 0.00 O
807
+ ATOM 806 CG ASN A 108 22.780 10.155 40.206 1.00 0.00 C
808
+ ATOM 807 ND2 ASN A 108 22.983 10.639 38.986 1.00 0.00 N
809
+ ATOM 808 OD1 ASN A 108 22.808 10.863 41.216 1.00 0.00 O
810
+ ATOM 809 N SER A 109 20.718 6.417 41.700 1.00 0.00 N
811
+ ATOM 810 CA SER A 109 20.242 5.040 41.643 1.00 0.00 C
812
+ ATOM 811 C SER A 109 18.987 4.924 40.784 1.00 0.00 C
813
+ ATOM 812 CB SER A 109 19.957 4.511 43.050 1.00 0.00 C
814
+ ATOM 813 O SER A 109 18.260 5.903 40.602 1.00 0.00 O
815
+ ATOM 814 OG SER A 109 18.876 5.211 43.641 1.00 0.00 O
816
+ ATOM 815 N GLY A 110 18.764 3.733 40.221 1.00 0.00 N
817
+ ATOM 816 CA GLY A 110 17.620 3.468 39.364 1.00 0.00 C
818
+ ATOM 817 C GLY A 110 17.910 3.704 37.894 1.00 0.00 C
819
+ ATOM 818 O GLY A 110 19.063 3.910 37.508 1.00 0.00 O
820
+ ATOM 819 N SER A 111 16.750 3.684 37.089 1.00 0.00 N
821
+ ATOM 820 CA SER A 111 16.905 3.805 35.643 1.00 0.00 C
822
+ ATOM 821 C SER A 111 15.576 4.130 34.969 1.00 0.00 C
823
+ ATOM 822 CB SER A 111 17.484 2.517 35.055 1.00 0.00 C
824
+ ATOM 823 O SER A 111 14.514 3.988 35.579 1.00 0.00 O
825
+ ATOM 824 OG SER A 111 16.546 1.458 35.147 1.00 0.00 O
826
+ ATOM 825 N PHE A 112 15.693 4.528 33.832 1.00 0.00 N
827
+ ATOM 826 CA PHE A 112 14.551 4.700 32.941 1.00 0.00 C
828
+ ATOM 827 C PHE A 112 14.557 3.644 31.843 1.00 0.00 C
829
+ ATOM 828 CB PHE A 112 14.559 6.101 32.320 1.00 0.00 C
830
+ ATOM 829 O PHE A 112 15.596 3.379 31.233 1.00 0.00 O
831
+ ATOM 830 CG PHE A 112 14.521 7.214 33.333 1.00 0.00 C
832
+ ATOM 831 CD1 PHE A 112 13.649 7.159 34.413 1.00 0.00 C
833
+ ATOM 832 CD2 PHE A 112 15.357 8.315 33.204 1.00 0.00 C
834
+ ATOM 833 CE1 PHE A 112 13.612 8.188 35.353 1.00 0.00 C
835
+ ATOM 834 CE2 PHE A 112 15.326 9.347 34.138 1.00 0.00 C
836
+ ATOM 835 CZ PHE A 112 14.452 9.281 35.211 1.00 0.00 C
837
+ ATOM 836 N SER A 113 13.417 3.034 31.638 1.00 0.00 N
838
+ ATOM 837 CA SER A 113 13.194 2.246 30.431 1.00 0.00 C
839
+ ATOM 838 C SER A 113 12.787 3.132 29.259 1.00 0.00 C
840
+ ATOM 839 CB SER A 113 12.121 1.183 30.674 1.00 0.00 C
841
+ ATOM 840 O SER A 113 11.865 3.941 29.376 1.00 0.00 O
842
+ ATOM 841 OG SER A 113 11.978 0.344 29.541 1.00 0.00 O
843
+ ATOM 842 N VAL A 114 13.475 3.016 28.204 1.00 0.00 N
844
+ ATOM 843 CA VAL A 114 13.274 3.930 27.085 1.00 0.00 C
845
+ ATOM 844 C VAL A 114 13.051 3.134 25.801 1.00 0.00 C
846
+ ATOM 845 CB VAL A 114 14.470 4.893 26.916 1.00 0.00 C
847
+ ATOM 846 O VAL A 114 13.755 2.154 25.542 1.00 0.00 O
848
+ ATOM 847 CG1 VAL A 114 14.197 5.904 25.804 1.00 0.00 C
849
+ ATOM 848 CG2 VAL A 114 14.768 5.609 28.233 1.00 0.00 C
850
+ ATOM 849 N ASN A 115 12.079 3.534 25.048 1.00 0.00 N
851
+ ATOM 850 CA ASN A 115 11.808 3.084 23.686 1.00 0.00 C
852
+ ATOM 851 C ASN A 115 11.925 4.230 22.684 1.00 0.00 C
853
+ ATOM 852 CB ASN A 115 10.422 2.442 23.599 1.00 0.00 C
854
+ ATOM 853 O ASN A 115 11.360 5.305 22.894 1.00 0.00 O
855
+ ATOM 854 CG ASN A 115 10.322 1.158 24.397 1.00 0.00 C
856
+ ATOM 855 ND2 ASN A 115 9.572 1.195 25.492 1.00 0.00 N
857
+ ATOM 856 OD1 ASN A 115 10.916 0.138 24.033 1.00 0.00 O
858
+ ATOM 857 N ILE A 116 12.684 3.978 21.665 1.00 0.00 N
859
+ ATOM 858 CA ILE A 116 12.846 4.954 20.593 1.00 0.00 C
860
+ ATOM 859 C ILE A 116 12.316 4.374 19.284 1.00 0.00 C
861
+ ATOM 860 CB ILE A 116 14.323 5.377 20.433 1.00 0.00 C
862
+ ATOM 861 O ILE A 116 12.676 3.258 18.901 1.00 0.00 O
863
+ ATOM 862 CG1 ILE A 116 14.878 5.893 21.765 1.00 0.00 C
864
+ ATOM 863 CG2 ILE A 116 14.465 6.436 19.335 1.00 0.00 C
865
+ ATOM 864 CD1 ILE A 116 16.361 6.237 21.727 1.00 0.00 C
866
+ ATOM 865 N GLY A 117 11.414 5.087 18.732 1.00 0.00 N
867
+ ATOM 866 CA GLY A 117 11.007 4.825 17.361 1.00 0.00 C
868
+ ATOM 867 C GLY A 117 11.560 5.833 16.371 1.00 0.00 C
869
+ ATOM 868 O GLY A 117 11.722 7.010 16.701 1.00 0.00 O
870
+ ATOM 869 N LYS A 118 11.877 5.375 15.300 1.00 0.00 N
871
+ ATOM 870 CA LYS A 118 12.366 6.219 14.215 1.00 0.00 C
872
+ ATOM 871 C LYS A 118 11.522 6.041 12.957 1.00 0.00 C
873
+ ATOM 872 CB LYS A 118 13.832 5.907 13.911 1.00 0.00 C
874
+ ATOM 873 O LYS A 118 11.294 4.914 12.510 1.00 0.00 O
875
+ ATOM 874 CG LYS A 118 14.428 6.754 12.797 1.00 0.00 C
876
+ ATOM 875 CD LYS A 118 15.875 6.372 12.516 1.00 0.00 C
877
+ ATOM 876 CE LYS A 118 16.390 7.026 11.240 1.00 0.00 C
878
+ ATOM 877 NZ LYS A 118 17.847 6.772 11.037 1.00 0.00 N
879
+ ATOM 878 N ASP A 119 10.865 7.103 12.513 1.00 0.00 N
880
+ ATOM 879 CA ASP A 119 10.194 7.154 11.218 1.00 0.00 C
881
+ ATOM 880 C ASP A 119 11.006 7.963 10.209 1.00 0.00 C
882
+ ATOM 881 CB ASP A 119 8.793 7.751 11.363 1.00 0.00 C
883
+ ATOM 882 O ASP A 119 11.574 9.003 10.552 1.00 0.00 O
884
+ ATOM 883 CG ASP A 119 7.882 6.915 12.244 1.00 0.00 C
885
+ ATOM 884 OD1 ASP A 119 7.969 5.670 12.205 1.00 0.00 O
886
+ ATOM 885 OD2 ASP A 119 7.065 7.508 12.982 1.00 0.00 O
887
+ ATOM 886 N GLN A 120 11.238 7.247 8.978 1.00 0.00 N
888
+ ATOM 887 CA GLN A 120 11.921 7.922 7.879 1.00 0.00 C
889
+ ATOM 888 C GLN A 120 11.001 8.931 7.197 1.00 0.00 C
890
+ ATOM 889 CB GLN A 120 12.431 6.903 6.858 1.00 0.00 C
891
+ ATOM 890 O GLN A 120 9.795 8.706 7.087 1.00 0.00 O
892
+ ATOM 891 CG GLN A 120 13.627 6.093 7.343 1.00 0.00 C
893
+ ATOM 892 CD GLN A 120 14.194 5.186 6.268 1.00 0.00 C
894
+ ATOM 893 NE2 GLN A 120 15.370 4.625 6.526 1.00 0.00 N
895
+ ATOM 894 OE1 GLN A 120 13.580 4.989 5.215 1.00 0.00 O
896
+ ATOM 895 N SER A 121 11.458 10.229 6.986 1.00 0.00 N
897
+ ATOM 896 CA SER A 121 10.662 11.193 6.234 1.00 0.00 C
898
+ ATOM 897 C SER A 121 10.522 10.775 4.774 1.00 0.00 C
899
+ ATOM 898 CB SER A 121 11.288 12.586 6.317 1.00 0.00 C
900
+ ATOM 899 O SER A 121 11.413 10.129 4.220 1.00 0.00 O
901
+ ATOM 900 OG SER A 121 12.677 12.529 6.046 1.00 0.00 O
902
+ ATOM 901 OXT SER A 121 9.451 11.338 4.786 1.00 0.00 O
903
+ TER 902 SER A 121
904
+ END
1oko/1oko_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qca/1qca_ligand.mol2 ADDED
@@ -0,0 +1,187 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1qca_ligand
7
+ 84 87 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 -0.2410 16.4710 15.9770 C.3 1 FUA -0.0447
14
+ 2 C2 -1.2180 16.0020 17.0800 C.3 1 FUA -0.0261
15
+ 3 C3 -1.7290 14.6010 16.9690 C.3 1 FUA 0.0581
16
+ 4 C4 -0.6090 13.5550 16.4850 C.3 1 FUA -0.0145
17
+ 5 C5 0.1980 14.1680 15.3940 C.3 1 FUA -0.0303
18
+ 6 C6 0.9790 13.1370 14.6140 C.3 1 FUA -0.0489
19
+ 7 C7 1.8780 13.6690 13.4630 C.3 1 FUA -0.0463
20
+ 8 C8 1.6100 15.1440 13.1120 C.3 1 FUA -0.0185
21
+ 9 C9 1.7570 15.9960 14.4160 C.3 1 FUA -0.0031
22
+ 10 C10 0.8500 15.4800 15.6280 C.3 1 FUA -0.0231
23
+ 11 C11 1.5380 17.5540 14.0620 C.3 1 FUA 0.0613
24
+ 12 C12 2.6000 18.0240 13.0630 C.3 1 FUA -0.0127
25
+ 13 C13 2.5610 17.1960 11.7450 C.3 1 FUA 0.0021
26
+ 14 C14 2.7330 15.6930 12.0730 C.3 1 FUA -0.0084
27
+ 15 C15 2.7120 15.1100 10.7000 C.3 1 FUA -0.0032
28
+ 16 C16 3.4150 16.1260 9.7730 C.3 1 FUA 0.1207
29
+ 17 C17 3.4310 17.4300 10.5910 C.2 1 FUA -0.0221
30
+ 18 C18 -1.4160 12.3510 16.1600 C.3 1 FUA -0.0598
31
+ 19 C19 1.7630 15.2600 16.8810 C.3 1 FUA -0.0589
32
+ 20 C20 0.2620 15.2980 12.5590 C.3 1 FUA -0.0585
33
+ 21 C21 4.2240 15.5230 12.4730 C.3 1 FUA -0.0565
34
+ 22 C22 4.2290 18.3590 10.0920 C.2 1 FUA -0.0312
35
+ 23 C23 4.4120 19.7030 10.7610 C.3 1 FUA -0.0324
36
+ 24 C24 5.5740 20.6240 10.3970 C.3 1 FUA -0.0436
37
+ 25 C25 6.0130 21.7040 11.3200 C.2 1 FUA -0.1081
38
+ 26 C26 5.3030 22.5780 11.8380 C.2 1 FUA -0.0870
39
+ 27 C27 5.4330 23.7750 12.8540 C.3 1 FUA -0.0406
40
+ 28 C28 3.7270 22.6820 11.5350 C.3 1 FUA -0.0406
41
+ 29 C29 5.0180 18.1410 8.8800 C.2 1 FUA 0.0324
42
+ 30 C31 5.3920 14.9770 8.9030 C.2 1 FUA 0.2331
43
+ 31 C32 6.7890 14.8630 9.1190 C.3 1 FUA 0.0374
44
+ 32 O1 0.2370 17.6070 13.4510 O.3 1 FUA -0.3913
45
+ 33 O2 4.8790 15.8570 9.7960 O.3 1 FUA -0.2594
46
+ 34 O3 4.7480 14.4230 8.1390 O.2 1 FUA -0.3705
47
+ 35 O4 6.2070 18.5770 8.8280 O.co2 1 FUA -0.5737
48
+ 36 O5 4.6050 17.6150 7.7740 O.co2 1 FUA -0.5737
49
+ 37 O6 -2.8510 14.6200 16.0410 O.3 1 FUA -0.3915
50
+ 38 H1 -0.8246 16.6715 15.0664 H 1 FUA 0.0271
51
+ 39 H2 0.2381 17.4007 16.3177 H 1 FUA 0.0271
52
+ 40 H3 -2.0869 16.6764 17.0653 H 1 FUA 0.0290
53
+ 41 H4 -0.6996 16.0928 18.0459 H 1 FUA 0.0290
54
+ 42 H5 -2.0866 14.2796 17.9583 H 1 FUA 0.0596
55
+ 43 H6 0.0774 13.3115 17.3093 H 1 FUA 0.0326
56
+ 44 H7 -0.5834 14.4546 14.6748 H 1 FUA 0.0310
57
+ 45 H8 0.2567 12.4330 14.1750 H 1 FUA 0.0268
58
+ 46 H9 1.6273 12.6022 15.3237 H 1 FUA 0.0268
59
+ 47 H10 1.6952 13.0582 12.5666 H 1 FUA 0.0271
60
+ 48 H11 2.9303 13.5683 13.7670 H 1 FUA 0.0271
61
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1qca/1qca_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1wkm/1wkm_protein_processed_fix.pdb ADDED
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2b8l/2b8l_protein_esmfold_aligned_tr_fix.pdb ADDED
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2b8l/2b8l_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1
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+ ###
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15
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26
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27
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28
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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44
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+ 39 H15 52.8351 40.8702 66.1447 H 1 FNZ 0.2104
52
+ @<TRIPOS>BOND
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+ 1 1 2 1
54
+ 2 1 10 1
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+ 3 22 1 1
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+ 4 2 3 1
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 FNZ 1
96
+
2c1p/2c1p_ligand.sdf ADDED
@@ -0,0 +1,86 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ M END
86
+ $$$$