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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): 1aeb3fa

Add batch 52

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  1. 1a86/1a86_ligand.mol2 +118 -0
  2. 1a86/1a86_ligand.sdf +110 -0
  3. 1a86/1a86_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1a86/1a86_protein_processed_fix.pdb +0 -0
  5. 1dbb/1dbb_ligand.mol2 +125 -0
  6. 1dbb/1dbb_ligand.sdf +115 -0
  7. 1dbb/1dbb_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1dbb/1dbb_protein_processed_fix.pdb +0 -0
  9. 1gx4/1gx4_ligand.mol2 +89 -0
  10. 1gx4/1gx4_ligand.sdf +85 -0
  11. 1gx4/1gx4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1gx4/1gx4_protein_processed_fix.pdb +0 -0
  13. 1i2s/1i2s_ligand.mol2 +51 -0
  14. 1i2s/1i2s_ligand.sdf +47 -0
  15. 1i2s/1i2s_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1i2s/1i2s_protein_processed_fix.pdb +0 -0
  17. 1lvc/1lvc_ligand.mol2 +131 -0
  18. 1lvc/1lvc_ligand.sdf +129 -0
  19. 1lvc/1lvc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1lvc/1lvc_protein_processed_fix.pdb +0 -0
  21. 1mrs/1mrs_ligand.mol2 +87 -0
  22. 1mrs/1mrs_ligand.sdf +81 -0
  23. 1mrs/1mrs_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1mrs/1mrs_protein_processed_fix.pdb +0 -0
  25. 1pip/1pip_ligand.mol2 +206 -0
  26. 1pip/1pip_ligand.sdf +198 -0
  27. 1pip/1pip_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1pip/1pip_protein_processed_fix.pdb +0 -0
  29. 1qhc/1qhc_ligand.mol2 +162 -0
  30. 1qhc/1qhc_ligand.sdf +164 -0
  31. 1qhc/1qhc_protein_esmfold_aligned_tr_fix.pdb +962 -0
  32. 1qhc/1qhc_protein_processed_fix.pdb +0 -0
  33. 1vkj/1vkj_ligand.mol2 +94 -0
  34. 1vkj/1vkj_ligand.sdf +92 -0
  35. 1vkj/1vkj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1vkj/1vkj_protein_processed_fix.pdb +0 -0
  37. 2aq7/2aq7_ligand.mol2 +78 -0
  38. 2aq7/2aq7_ligand.sdf +68 -0
  39. 2aq7/2aq7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2aq7/2aq7_protein_processed_fix.pdb +0 -0
  41. 2bdl/2bdl_ligand.mol2 +178 -0
  42. 2bdl/2bdl_ligand.sdf +168 -0
  43. 2bdl/2bdl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2bdl/2bdl_protein_processed_fix.pdb +0 -0
  45. 2bgd/2bgd_ligand.mol2 +90 -0
  46. 2bgd/2bgd_ligand.sdf +80 -0
  47. 2bgd/2bgd_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2bgd/2bgd_protein_processed_fix.pdb +0 -0
  49. 2gz8/2gz8_ligand.mol2 +84 -0
  50. 2gz8/2gz8_ligand.sdf +72 -0
1a86/1a86_ligand.mol2 ADDED
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1a86/1a86_ligand.sdf ADDED
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1a86/1a86_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a86/1a86_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1dbb/1dbb_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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1lvc/1lvc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1mrs/1mrs_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mrs/1mrs_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1pip/1pip_ligand.mol2 ADDED
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The diff for this file is too large to render. See raw diff
 
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+ ATOM 18 OE2 GLU A 2 33.572 -12.204 28.345 1.00 0.00 O
20
+ ATOM 19 N THR A 3 34.353 -15.509 23.854 1.00 0.00 N
21
+ ATOM 20 CA THR A 3 34.132 -14.989 22.508 1.00 0.00 C
22
+ ATOM 21 C THR A 3 34.265 -13.470 22.486 1.00 0.00 C
23
+ ATOM 22 CB THR A 3 32.746 -15.394 21.974 1.00 0.00 C
24
+ ATOM 23 O THR A 3 34.196 -12.820 23.532 1.00 0.00 O
25
+ ATOM 24 CG2 THR A 3 32.540 -16.903 22.064 1.00 0.00 C
26
+ ATOM 25 OG1 THR A 3 31.732 -14.739 22.746 1.00 0.00 O
27
+ ATOM 26 N ALA A 4 34.520 -12.920 21.246 1.00 0.00 N
28
+ ATOM 27 CA ALA A 4 34.584 -11.467 21.100 1.00 0.00 C
29
+ ATOM 28 C ALA A 4 33.297 -10.810 21.590 1.00 0.00 C
30
+ ATOM 29 CB ALA A 4 34.850 -11.091 19.645 1.00 0.00 C
31
+ ATOM 30 O ALA A 4 33.337 -9.761 22.239 1.00 0.00 O
32
+ ATOM 31 N ALA A 5 32.127 -11.373 21.301 1.00 0.00 N
33
+ ATOM 32 CA ALA A 5 30.842 -10.844 21.750 1.00 0.00 C
34
+ ATOM 33 C ALA A 5 30.729 -10.897 23.271 1.00 0.00 C
35
+ ATOM 34 CB ALA A 5 29.694 -11.617 21.107 1.00 0.00 C
36
+ ATOM 35 O ALA A 5 30.255 -9.947 23.898 1.00 0.00 O
37
+ ATOM 36 N ALA A 6 31.134 -11.981 23.834 1.00 0.00 N
38
+ ATOM 37 CA ALA A 6 31.096 -12.114 25.288 1.00 0.00 C
39
+ ATOM 38 C ALA A 6 32.040 -11.116 25.955 1.00 0.00 C
40
+ ATOM 39 CB ALA A 6 31.455 -13.540 25.702 1.00 0.00 C
41
+ ATOM 40 O ALA A 6 31.708 -10.537 26.992 1.00 0.00 O
42
+ ATOM 41 N LYS A 7 33.179 -11.000 25.328 1.00 0.00 N
43
+ ATOM 42 CA LYS A 7 34.126 -10.008 25.830 1.00 0.00 C
44
+ ATOM 43 C LYS A 7 33.533 -8.603 25.771 1.00 0.00 C
45
+ ATOM 44 CB LYS A 7 35.430 -10.061 25.033 1.00 0.00 C
46
+ ATOM 45 O LYS A 7 33.675 -7.825 26.717 1.00 0.00 O
47
+ ATOM 46 CG LYS A 7 36.505 -9.113 25.542 1.00 0.00 C
48
+ ATOM 47 CD LYS A 7 37.787 -9.232 24.728 1.00 0.00 C
49
+ ATOM 48 CE LYS A 7 38.865 -8.284 25.237 1.00 0.00 C
50
+ ATOM 49 NZ LYS A 7 40.129 -8.408 24.451 1.00 0.00 N
51
+ ATOM 50 N PHE A 8 32.845 -8.233 24.666 1.00 0.00 N
52
+ ATOM 51 CA PHE A 8 32.166 -6.948 24.542 1.00 0.00 C
53
+ ATOM 52 C PHE A 8 31.163 -6.756 25.673 1.00 0.00 C
54
+ ATOM 53 CB PHE A 8 31.457 -6.843 23.189 1.00 0.00 C
55
+ ATOM 54 O PHE A 8 31.138 -5.704 26.316 1.00 0.00 O
56
+ ATOM 55 CG PHE A 8 30.650 -5.583 23.023 1.00 0.00 C
57
+ ATOM 56 CD1 PHE A 8 31.208 -4.457 22.430 1.00 0.00 C
58
+ ATOM 57 CD2 PHE A 8 29.333 -5.525 23.460 1.00 0.00 C
59
+ ATOM 58 CE1 PHE A 8 30.463 -3.289 22.275 1.00 0.00 C
60
+ ATOM 59 CE2 PHE A 8 28.583 -4.363 23.310 1.00 0.00 C
61
+ ATOM 60 CZ PHE A 8 29.150 -3.245 22.718 1.00 0.00 C
62
+ ATOM 61 N GLU A 9 30.357 -7.741 25.919 1.00 0.00 N
63
+ ATOM 62 CA GLU A 9 29.323 -7.638 26.945 1.00 0.00 C
64
+ ATOM 63 C GLU A 9 29.936 -7.454 28.330 1.00 0.00 C
65
+ ATOM 64 CB GLU A 9 28.424 -8.877 26.928 1.00 0.00 C
66
+ ATOM 65 O GLU A 9 29.495 -6.599 29.101 1.00 0.00 O
67
+ ATOM 66 CG GLU A 9 27.557 -8.990 25.683 1.00 0.00 C
68
+ ATOM 67 CD GLU A 9 26.620 -10.188 25.711 1.00 0.00 C
69
+ ATOM 68 OE1 GLU A 9 26.272 -10.659 26.817 1.00 0.00 O
70
+ ATOM 69 OE2 GLU A 9 26.233 -10.658 24.619 1.00 0.00 O
71
+ ATOM 70 N ARG A 10 30.909 -8.259 28.610 1.00 0.00 N
72
+ ATOM 71 CA ARG A 10 31.573 -8.162 29.906 1.00 0.00 C
73
+ ATOM 72 C ARG A 10 32.199 -6.785 30.099 1.00 0.00 C
74
+ ATOM 73 CB ARG A 10 32.644 -9.247 30.044 1.00 0.00 C
75
+ ATOM 74 O ARG A 10 32.097 -6.197 31.178 1.00 0.00 O
76
+ ATOM 75 CG ARG A 10 33.460 -9.148 31.323 1.00 0.00 C
77
+ ATOM 76 CD ARG A 10 34.434 -10.308 31.462 1.00 0.00 C
78
+ ATOM 77 NE ARG A 10 35.343 -10.390 30.322 1.00 0.00 N
79
+ ATOM 78 NH1 ARG A 10 36.749 -8.712 31.061 1.00 0.00 N
80
+ ATOM 79 NH2 ARG A 10 37.180 -9.786 29.082 1.00 0.00 N
81
+ ATOM 80 CZ ARG A 10 36.422 -9.629 30.159 1.00 0.00 C
82
+ ATOM 81 N GLN A 11 32.789 -6.232 29.061 1.00 0.00 N
83
+ ATOM 82 CA GLN A 11 33.568 -5.003 29.181 1.00 0.00 C
84
+ ATOM 83 C GLN A 11 32.667 -3.773 29.125 1.00 0.00 C
85
+ ATOM 84 CB GLN A 11 34.628 -4.928 28.082 1.00 0.00 C
86
+ ATOM 85 O GLN A 11 32.993 -2.730 29.695 1.00 0.00 O
87
+ ATOM 86 CG GLN A 11 35.735 -5.964 28.223 1.00 0.00 C
88
+ ATOM 87 CD GLN A 11 36.861 -5.760 27.228 1.00 0.00 C
89
+ ATOM 88 NE2 GLN A 11 37.839 -6.659 27.245 1.00 0.00 N
90
+ ATOM 89 OE1 GLN A 11 36.852 -4.801 26.449 1.00 0.00 O
91
+ ATOM 90 N HIS A 12 31.423 -3.879 28.516 1.00 0.00 N
92
+ ATOM 91 CA HIS A 12 30.771 -2.613 28.199 1.00 0.00 C
93
+ ATOM 92 C HIS A 12 29.322 -2.605 28.673 1.00 0.00 C
94
+ ATOM 93 CB HIS A 12 30.833 -2.341 26.695 1.00 0.00 C
95
+ ATOM 94 O HIS A 12 28.704 -1.543 28.779 1.00 0.00 O
96
+ ATOM 95 CG HIS A 12 32.223 -2.168 26.172 1.00 0.00 C
97
+ ATOM 96 CD2 HIS A 12 33.009 -2.997 25.446 1.00 0.00 C
98
+ ATOM 97 ND1 HIS A 12 32.962 -1.025 26.389 1.00 0.00 N
99
+ ATOM 98 CE1 HIS A 12 34.147 -1.160 25.815 1.00 0.00 C
100
+ ATOM 99 NE2 HIS A 12 34.201 -2.347 25.236 1.00 0.00 N
101
+ ATOM 100 N MET A 13 28.719 -3.694 28.947 1.00 0.00 N
102
+ ATOM 101 CA MET A 13 27.294 -3.726 29.265 1.00 0.00 C
103
+ ATOM 102 C MET A 13 27.070 -3.660 30.772 1.00 0.00 C
104
+ ATOM 103 CB MET A 13 26.643 -4.988 28.694 1.00 0.00 C
105
+ ATOM 104 O MET A 13 27.689 -4.409 31.528 1.00 0.00 O
106
+ ATOM 105 CG MET A 13 26.762 -5.110 27.183 1.00 0.00 C
107
+ ATOM 106 SD MET A 13 26.006 -3.688 26.303 1.00 0.00 S
108
+ ATOM 107 CE MET A 13 24.279 -3.867 26.830 1.00 0.00 C
109
+ ATOM 108 N ASP A 14 26.264 -2.782 31.194 1.00 0.00 N
110
+ ATOM 109 CA ASP A 14 25.741 -2.710 32.555 1.00 0.00 C
111
+ ATOM 110 C ASP A 14 24.303 -2.196 32.564 1.00 0.00 C
112
+ ATOM 111 CB ASP A 14 26.626 -1.813 33.422 1.00 0.00 C
113
+ ATOM 112 O ASP A 14 24.067 -1.000 32.748 1.00 0.00 O
114
+ ATOM 113 CG ASP A 14 26.181 -1.767 34.875 1.00 0.00 C
115
+ ATOM 114 OD1 ASP A 14 25.497 -2.706 35.332 1.00 0.00 O
116
+ ATOM 115 OD2 ASP A 14 26.516 -0.780 35.565 1.00 0.00 O
117
+ ATOM 116 N SER A 15 23.328 -3.118 32.369 1.00 0.00 N
118
+ ATOM 117 CA SER A 15 21.927 -2.722 32.263 1.00 0.00 C
119
+ ATOM 118 C SER A 15 21.325 -2.443 33.635 1.00 0.00 C
120
+ ATOM 119 CB SER A 15 21.117 -3.807 31.553 1.00 0.00 C
121
+ ATOM 120 O SER A 15 20.194 -1.962 33.737 1.00 0.00 O
122
+ ATOM 121 OG SER A 15 21.366 -5.079 32.129 1.00 0.00 O
123
+ ATOM 122 N SER A 16 22.026 -2.601 34.639 1.00 0.00 N
124
+ ATOM 123 CA SER A 16 21.573 -2.310 35.996 1.00 0.00 C
125
+ ATOM 124 C SER A 16 21.910 -0.877 36.395 1.00 0.00 C
126
+ ATOM 125 CB SER A 16 22.201 -3.286 36.992 1.00 0.00 C
127
+ ATOM 126 O SER A 16 23.077 -0.482 36.387 1.00 0.00 O
128
+ ATOM 127 OG SER A 16 21.849 -2.944 38.322 1.00 0.00 O
129
+ ATOM 128 N THR A 17 21.018 0.156 36.069 1.00 0.00 N
130
+ ATOM 129 CA THR A 17 21.119 1.611 36.093 1.00 0.00 C
131
+ ATOM 130 C THR A 17 21.401 2.110 37.507 1.00 0.00 C
132
+ ATOM 131 CB THR A 17 19.833 2.269 35.560 1.00 0.00 C
133
+ ATOM 132 O THR A 17 21.790 3.264 37.698 1.00 0.00 O
134
+ ATOM 133 CG2 THR A 17 19.598 1.913 34.096 1.00 0.00 C
135
+ ATOM 134 OG1 THR A 17 18.716 1.819 36.336 1.00 0.00 O
136
+ ATOM 135 N SER A 18 21.002 1.474 38.531 1.00 0.00 N
137
+ ATOM 136 CA SER A 18 20.812 2.127 39.823 1.00 0.00 C
138
+ ATOM 137 C SER A 18 22.131 2.653 40.376 1.00 0.00 C
139
+ ATOM 138 CB SER A 18 20.180 1.160 40.824 1.00 0.00 C
140
+ ATOM 139 O SER A 18 22.161 3.686 41.049 1.00 0.00 O
141
+ ATOM 140 OG SER A 18 20.988 0.006 40.988 1.00 0.00 O
142
+ ATOM 141 N ALA A 19 23.236 2.186 39.918 1.00 0.00 N
143
+ ATOM 142 CA ALA A 19 24.491 2.586 40.550 1.00 0.00 C
144
+ ATOM 143 C ALA A 19 25.259 3.568 39.671 1.00 0.00 C
145
+ ATOM 144 CB ALA A 19 25.350 1.360 40.850 1.00 0.00 C
146
+ ATOM 145 O ALA A 19 26.273 4.130 40.094 1.00 0.00 O
147
+ ATOM 146 N ALA A 20 24.765 3.916 38.578 1.00 0.00 N
148
+ ATOM 147 CA ALA A 20 25.540 4.777 37.690 1.00 0.00 C
149
+ ATOM 148 C ALA A 20 25.671 6.184 38.267 1.00 0.00 C
150
+ ATOM 149 CB ALA A 20 24.899 4.830 36.306 1.00 0.00 C
151
+ ATOM 150 O ALA A 20 26.579 6.932 37.896 1.00 0.00 O
152
+ ATOM 151 N SER A 21 24.898 6.485 39.339 1.00 0.00 N
153
+ ATOM 152 CA SER A 21 24.947 7.844 39.868 1.00 0.00 C
154
+ ATOM 153 C SER A 21 26.038 7.987 40.924 1.00 0.00 C
155
+ ATOM 154 CB SER A 21 23.594 8.238 40.463 1.00 0.00 C
156
+ ATOM 155 O SER A 21 26.319 9.094 41.388 1.00 0.00 O
157
+ ATOM 156 OG SER A 21 23.175 7.289 41.428 1.00 0.00 O
158
+ ATOM 157 N SER A 22 26.618 6.885 41.170 1.00 0.00 N
159
+ ATOM 158 CA SER A 22 27.656 6.989 42.190 1.00 0.00 C
160
+ ATOM 159 C SER A 22 28.975 7.466 41.591 1.00 0.00 C
161
+ ATOM 160 CB SER A 22 27.860 5.642 42.886 1.00 0.00 C
162
+ ATOM 161 O SER A 22 29.363 7.030 40.505 1.00 0.00 O
163
+ ATOM 162 OG SER A 22 29.032 5.660 43.683 1.00 0.00 O
164
+ ATOM 163 N SER A 23 29.650 8.398 42.255 1.00 0.00 N
165
+ ATOM 164 CA SER A 23 30.960 8.893 41.845 1.00 0.00 C
166
+ ATOM 165 C SER A 23 31.998 7.775 41.844 1.00 0.00 C
167
+ ATOM 166 CB SER A 23 31.418 10.026 42.765 1.00 0.00 C
168
+ ATOM 167 O SER A 23 33.021 7.871 41.162 1.00 0.00 O
169
+ ATOM 168 OG SER A 23 31.473 9.589 44.112 1.00 0.00 O
170
+ ATOM 169 N ASN A 24 31.658 6.704 42.552 1.00 0.00 N
171
+ ATOM 170 CA ASN A 24 32.590 5.588 42.666 1.00 0.00 C
172
+ ATOM 171 C ASN A 24 32.276 4.491 41.651 1.00 0.00 C
173
+ ATOM 172 CB ASN A 24 32.576 5.018 44.085 1.00 0.00 C
174
+ ATOM 173 O ASN A 24 32.839 3.397 41.721 1.00 0.00 O
175
+ ATOM 174 CG ASN A 24 33.825 4.221 44.406 1.00 0.00 C
176
+ ATOM 175 ND2 ASN A 24 33.681 3.211 45.257 1.00 0.00 N
177
+ ATOM 176 OD1 ASN A 24 34.909 4.510 43.896 1.00 0.00 O
178
+ ATOM 177 N TYR A 25 31.275 4.669 40.831 1.00 0.00 N
179
+ ATOM 178 CA TYR A 25 30.799 3.672 39.878 1.00 0.00 C
180
+ ATOM 179 C TYR A 25 31.956 3.086 39.079 1.00 0.00 C
181
+ ATOM 180 CB TYR A 25 29.766 4.288 38.928 1.00 0.00 C
182
+ ATOM 181 O TYR A 25 32.122 1.866 39.020 1.00 0.00 O
183
+ ATOM 182 CG TYR A 25 29.395 3.391 37.772 1.00 0.00 C
184
+ ATOM 183 CD1 TYR A 25 30.043 3.502 36.544 1.00 0.00 C
185
+ ATOM 184 CD2 TYR A 25 28.397 2.432 37.905 1.00 0.00 C
186
+ ATOM 185 CE1 TYR A 25 29.704 2.678 35.475 1.00 0.00 C
187
+ ATOM 186 CE2 TYR A 25 28.049 1.604 36.843 1.00 0.00 C
188
+ ATOM 187 OH TYR A 25 28.367 0.917 34.579 1.00 0.00 O
189
+ ATOM 188 CZ TYR A 25 28.708 1.734 35.634 1.00 0.00 C
190
+ ATOM 189 N CYS A 26 32.713 3.985 38.483 1.00 0.00 N
191
+ ATOM 190 CA CYS A 26 33.776 3.522 37.597 1.00 0.00 C
192
+ ATOM 191 C CYS A 26 34.805 2.701 38.364 1.00 0.00 C
193
+ ATOM 192 CB CYS A 26 34.458 4.707 36.915 1.00 0.00 C
194
+ ATOM 193 O CYS A 26 35.233 1.643 37.898 1.00 0.00 O
195
+ ATOM 194 SG CYS A 26 33.513 5.401 35.542 1.00 0.00 S
196
+ ATOM 195 N ASN A 27 35.231 3.170 39.562 1.00 0.00 N
197
+ ATOM 196 CA ASN A 27 36.208 2.412 40.334 1.00 0.00 C
198
+ ATOM 197 C ASN A 27 35.702 1.009 40.656 1.00 0.00 C
199
+ ATOM 198 CB ASN A 27 36.570 3.154 41.623 1.00 0.00 C
200
+ ATOM 199 O ASN A 27 36.452 0.036 40.558 1.00 0.00 O
201
+ ATOM 200 CG ASN A 27 37.366 4.418 41.365 1.00 0.00 C
202
+ ATOM 201 ND2 ASN A 27 37.202 5.410 42.232 1.00 0.00 N
203
+ ATOM 202 OD1 ASN A 27 38.121 4.503 40.392 1.00 0.00 O
204
+ ATOM 203 N GLN A 28 34.459 0.893 40.985 1.00 0.00 N
205
+ ATOM 204 CA GLN A 28 33.859 -0.389 41.341 1.00 0.00 C
206
+ ATOM 205 C GLN A 28 33.703 -1.283 40.114 1.00 0.00 C
207
+ ATOM 206 CB GLN A 28 32.502 -0.179 42.014 1.00 0.00 C
208
+ ATOM 207 O GLN A 28 34.081 -2.456 40.142 1.00 0.00 O
209
+ ATOM 208 CG GLN A 28 32.592 0.449 43.398 1.00 0.00 C
210
+ ATOM 209 CD GLN A 28 31.231 0.664 44.034 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 28 31.215 1.317 45.191 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 28 30.204 0.250 43.490 1.00 0.00 O
213
+ ATOM 212 N MET A 29 33.217 -0.693 39.054 1.00 0.00 N
214
+ ATOM 213 CA MET A 29 32.883 -1.506 37.887 1.00 0.00 C
215
+ ATOM 214 C MET A 29 34.145 -1.956 37.159 1.00 0.00 C
216
+ ATOM 215 CB MET A 29 31.977 -0.728 36.931 1.00 0.00 C
217
+ ATOM 216 O MET A 29 34.228 -3.096 36.698 1.00 0.00 O
218
+ ATOM 217 CG MET A 29 30.542 -0.599 37.416 1.00 0.00 C
219
+ ATOM 218 SD MET A 29 29.695 -2.221 37.547 1.00 0.00 S
220
+ ATOM 219 CE MET A 29 29.404 -2.573 35.791 1.00 0.00 C
221
+ ATOM 220 N MET A 30 35.168 -1.012 37.027 1.00 0.00 N
222
+ ATOM 221 CA MET A 30 36.417 -1.398 36.376 1.00 0.00 C
223
+ ATOM 222 C MET A 30 37.056 -2.585 37.086 1.00 0.00 C
224
+ ATOM 223 CB MET A 30 37.393 -0.220 36.342 1.00 0.00 C
225
+ ATOM 224 O MET A 30 37.526 -3.522 36.438 1.00 0.00 O
226
+ ATOM 225 CG MET A 30 36.872 0.986 35.577 1.00 0.00 C
227
+ ATOM 226 SD MET A 30 36.792 0.690 33.767 1.00 0.00 S
228
+ ATOM 227 CE MET A 30 38.546 0.874 33.336 1.00 0.00 C
229
+ ATOM 228 N LYS A 31 36.990 -2.615 38.368 1.00 0.00 N
230
+ ATOM 229 CA LYS A 31 37.560 -3.695 39.167 1.00 0.00 C
231
+ ATOM 230 C LYS A 31 36.704 -4.956 39.080 1.00 0.00 C
232
+ ATOM 231 CB LYS A 31 37.710 -3.262 40.626 1.00 0.00 C
233
+ ATOM 232 O LYS A 31 37.220 -6.047 38.829 1.00 0.00 O
234
+ ATOM 233 CG LYS A 31 38.442 -4.271 41.499 1.00 0.00 C
235
+ ATOM 234 CD LYS A 31 38.653 -3.740 42.911 1.00 0.00 C
236
+ ATOM 235 CE LYS A 31 39.388 -4.748 43.784 1.00 0.00 C
237
+ ATOM 236 NZ LYS A 31 39.623 -4.219 45.162 1.00 0.00 N
238
+ ATOM 237 N SER A 32 35.385 -4.872 39.244 1.00 0.00 N
239
+ ATOM 238 CA SER A 32 34.498 -6.029 39.291 1.00 0.00 C
240
+ ATOM 239 C SER A 32 34.462 -6.752 37.948 1.00 0.00 C
241
+ ATOM 240 CB SER A 32 33.084 -5.607 39.689 1.00 0.00 C
242
+ ATOM 241 O SER A 32 34.242 -7.964 37.895 1.00 0.00 O
243
+ ATOM 242 OG SER A 32 32.447 -4.915 38.627 1.00 0.00 O
244
+ ATOM 243 N ARG A 33 34.744 -5.993 36.871 1.00 0.00 N
245
+ ATOM 244 CA ARG A 33 34.719 -6.599 35.544 1.00 0.00 C
246
+ ATOM 245 C ARG A 33 36.120 -7.010 35.103 1.00 0.00 C
247
+ ATOM 246 CB ARG A 33 34.111 -5.635 34.524 1.00 0.00 C
248
+ ATOM 247 O ARG A 33 36.337 -7.342 33.936 1.00 0.00 O
249
+ ATOM 248 CG ARG A 33 32.672 -5.246 34.825 1.00 0.00 C
250
+ ATOM 249 CD ARG A 33 31.725 -6.429 34.674 1.00 0.00 C
251
+ ATOM 250 NE ARG A 33 30.335 -6.037 34.887 1.00 0.00 N
252
+ ATOM 251 NH1 ARG A 33 29.638 -6.580 32.752 1.00 0.00 N
253
+ ATOM 252 NH2 ARG A 33 28.144 -5.733 34.271 1.00 0.00 N
254
+ ATOM 253 CZ ARG A 33 29.375 -6.117 33.970 1.00 0.00 C
255
+ ATOM 254 N ASN A 34 37.043 -6.985 36.045 1.00 0.00 N
256
+ ATOM 255 CA ASN A 34 38.416 -7.430 35.827 1.00 0.00 C
257
+ ATOM 256 C ASN A 34 39.079 -6.664 34.686 1.00 0.00 C
258
+ ATOM 257 CB ASN A 34 38.455 -8.934 35.549 1.00 0.00 C
259
+ ATOM 258 O ASN A 34 39.838 -7.239 33.904 1.00 0.00 O
260
+ ATOM 259 CG ASN A 34 38.177 -9.764 36.787 1.00 0.00 C
261
+ ATOM 260 ND2 ASN A 34 37.387 -10.819 36.629 1.00 0.00 N
262
+ ATOM 261 OD1 ASN A 34 38.668 -9.459 37.877 1.00 0.00 O
263
+ ATOM 262 N LEU A 35 38.819 -5.381 34.577 1.00 0.00 N
264
+ ATOM 263 CA LEU A 35 39.410 -4.550 33.534 1.00 0.00 C
265
+ ATOM 264 C LEU A 35 40.708 -3.912 34.017 1.00 0.00 C
266
+ ATOM 265 CB LEU A 35 38.426 -3.462 33.094 1.00 0.00 C
267
+ ATOM 266 O LEU A 35 41.398 -3.239 33.248 1.00 0.00 O
268
+ ATOM 267 CG LEU A 35 37.092 -3.945 32.524 1.00 0.00 C
269
+ ATOM 268 CD1 LEU A 35 36.211 -2.756 32.157 1.00 0.00 C
270
+ ATOM 269 CD2 LEU A 35 37.321 -4.842 31.312 1.00 0.00 C
271
+ ATOM 270 N THR A 36 41.045 -4.170 35.270 1.00 0.00 N
272
+ ATOM 271 CA THR A 36 42.254 -3.616 35.869 1.00 0.00 C
273
+ ATOM 272 C THR A 36 43.144 -4.728 36.418 1.00 0.00 C
274
+ ATOM 273 CB THR A 36 41.915 -2.623 36.997 1.00 0.00 C
275
+ ATOM 274 O THR A 36 43.936 -4.501 37.335 1.00 0.00 O
276
+ ATOM 275 CG2 THR A 36 41.106 -1.444 36.467 1.00 0.00 C
277
+ ATOM 276 OG1 THR A 36 41.151 -3.298 38.005 1.00 0.00 O
278
+ ATOM 277 N LYS A 37 42.933 -5.978 35.990 1.00 0.00 N
279
+ ATOM 278 CA LYS A 37 43.656 -7.135 36.512 1.00 0.00 C
280
+ ATOM 279 C LYS A 37 45.158 -6.994 36.281 1.00 0.00 C
281
+ ATOM 280 CB LYS A 37 43.145 -8.423 35.866 1.00 0.00 C
282
+ ATOM 281 O LYS A 37 45.958 -7.282 37.173 1.00 0.00 O
283
+ ATOM 282 CG LYS A 37 43.768 -9.691 36.433 1.00 0.00 C
284
+ ATOM 283 CD LYS A 37 43.207 -10.938 35.763 1.00 0.00 C
285
+ ATOM 284 CE LYS A 37 43.912 -12.198 36.247 1.00 0.00 C
286
+ ATOM 285 NZ LYS A 37 43.372 -13.424 35.586 1.00 0.00 N
287
+ ATOM 286 N ASP A 38 45.677 -6.501 35.206 1.00 0.00 N
288
+ ATOM 287 CA ASP A 38 47.096 -6.457 34.866 1.00 0.00 C
289
+ ATOM 288 C ASP A 38 47.612 -5.020 34.841 1.00 0.00 C
290
+ ATOM 289 CB ASP A 38 47.345 -7.128 33.513 1.00 0.00 C
291
+ ATOM 290 O ASP A 38 48.774 -4.766 35.162 1.00 0.00 O
292
+ ATOM 291 CG ASP A 38 47.060 -8.619 33.530 1.00 0.00 C
293
+ ATOM 292 OD1 ASP A 38 47.468 -9.307 34.490 1.00 0.00 O
294
+ ATOM 293 OD2 ASP A 38 46.424 -9.111 32.572 1.00 0.00 O
295
+ ATOM 294 N ARG A 39 46.887 -4.094 34.499 1.00 0.00 N
296
+ ATOM 295 CA ARG A 39 47.191 -2.671 34.400 1.00 0.00 C
297
+ ATOM 296 C ARG A 39 45.925 -1.831 34.533 1.00 0.00 C
298
+ ATOM 297 CB ARG A 39 47.889 -2.360 33.074 1.00 0.00 C
299
+ ATOM 298 O ARG A 39 44.813 -2.354 34.438 1.00 0.00 O
300
+ ATOM 299 CG ARG A 39 47.019 -2.599 31.849 1.00 0.00 C
301
+ ATOM 300 CD ARG A 39 47.771 -2.306 30.558 1.00 0.00 C
302
+ ATOM 301 NE ARG A 39 46.931 -2.525 29.384 1.00 0.00 N
303
+ ATOM 302 NH1 ARG A 39 48.307 -1.374 27.929 1.00 0.00 N
304
+ ATOM 303 NH2 ARG A 39 46.371 -2.333 27.165 1.00 0.00 N
305
+ ATOM 304 CZ ARG A 39 47.205 -2.077 28.162 1.00 0.00 C
306
+ ATOM 305 N CYS A 40 46.130 -0.636 34.792 1.00 0.00 N
307
+ ATOM 306 CA CYS A 40 44.986 0.269 34.772 1.00 0.00 C
308
+ ATOM 307 C CYS A 40 44.544 0.559 33.343 1.00 0.00 C
309
+ ATOM 308 CB CYS A 40 45.324 1.577 35.486 1.00 0.00 C
310
+ ATOM 309 O CYS A 40 45.312 1.109 32.551 1.00 0.00 O
311
+ ATOM 310 SG CYS A 40 45.791 1.362 37.217 1.00 0.00 S
312
+ ATOM 311 N LYS A 41 43.340 0.092 32.953 1.00 0.00 N
313
+ ATOM 312 CA LYS A 41 42.793 0.426 31.642 1.00 0.00 C
314
+ ATOM 313 C LYS A 41 42.484 1.917 31.539 1.00 0.00 C
315
+ ATOM 314 CB LYS A 41 41.531 -0.392 31.362 1.00 0.00 C
316
+ ATOM 315 O LYS A 41 41.705 2.450 32.332 1.00 0.00 O
317
+ ATOM 316 CG LYS A 41 40.976 -0.212 29.957 1.00 0.00 C
318
+ ATOM 317 CD LYS A 41 39.843 -1.190 29.673 1.00 0.00 C
319
+ ATOM 318 CE LYS A 41 39.266 -0.991 28.278 1.00 0.00 C
320
+ ATOM 319 NZ LYS A 41 38.236 -2.021 27.953 1.00 0.00 N
321
+ ATOM 320 N PRO A 42 43.038 2.602 30.597 1.00 0.00 N
322
+ ATOM 321 CA PRO A 42 42.936 4.063 30.587 1.00 0.00 C
323
+ ATOM 322 C PRO A 42 41.500 4.554 30.413 1.00 0.00 C
324
+ ATOM 323 CB PRO A 42 43.799 4.468 29.389 1.00 0.00 C
325
+ ATOM 324 O PRO A 42 41.114 5.565 31.006 1.00 0.00 O
326
+ ATOM 325 CG PRO A 42 44.806 3.372 29.256 1.00 0.00 C
327
+ ATOM 326 CD PRO A 42 44.170 2.084 29.694 1.00 0.00 C
328
+ ATOM 327 N VAL A 43 40.716 3.857 29.605 1.00 0.00 N
329
+ ATOM 328 CA VAL A 43 39.356 4.312 29.340 1.00 0.00 C
330
+ ATOM 329 C VAL A 43 38.451 3.111 29.082 1.00 0.00 C
331
+ ATOM 330 CB VAL A 43 39.306 5.284 28.140 1.00 0.00 C
332
+ ATOM 331 O VAL A 43 38.881 2.115 28.496 1.00 0.00 O
333
+ ATOM 332 CG1 VAL A 43 37.865 5.686 27.830 1.00 0.00 C
334
+ ATOM 333 CG2 VAL A 43 40.160 6.520 28.419 1.00 0.00 C
335
+ ATOM 334 N ASN A 44 37.227 3.223 29.524 1.00 0.00 N
336
+ ATOM 335 CA ASN A 44 36.157 2.283 29.209 1.00 0.00 C
337
+ ATOM 336 C ASN A 44 34.790 2.960 29.236 1.00 0.00 C
338
+ ATOM 337 CB ASN A 44 36.182 1.098 30.177 1.00 0.00 C
339
+ ATOM 338 O ASN A 44 34.610 3.979 29.907 1.00 0.00 O
340
+ ATOM 339 CG ASN A 44 35.366 -0.079 29.679 1.00 0.00 C
341
+ ATOM 340 ND2 ASN A 44 34.156 -0.228 30.207 1.00 0.00 N
342
+ ATOM 341 OD1 ASN A 44 35.819 -0.849 28.828 1.00 0.00 O
343
+ ATOM 342 N THR A 45 33.886 2.442 28.479 1.00 0.00 N
344
+ ATOM 343 CA THR A 45 32.510 2.928 28.463 1.00 0.00 C
345
+ ATOM 344 C THR A 45 31.537 1.809 28.819 1.00 0.00 C
346
+ ATOM 345 CB THR A 45 32.141 3.515 27.088 1.00 0.00 C
347
+ ATOM 346 O THR A 45 31.606 0.716 28.253 1.00 0.00 O
348
+ ATOM 347 CG2 THR A 45 30.713 4.050 27.084 1.00 0.00 C
349
+ ATOM 348 OG1 THR A 45 33.041 4.586 26.774 1.00 0.00 O
350
+ ATOM 349 N PHE A 46 30.655 2.050 29.744 1.00 0.00 N
351
+ ATOM 350 CA PHE A 46 29.571 1.127 30.065 1.00 0.00 C
352
+ ATOM 351 C PHE A 46 28.246 1.635 29.511 1.00 0.00 C
353
+ ATOM 352 CB PHE A 46 29.465 0.926 31.580 1.00 0.00 C
354
+ ATOM 353 O PHE A 46 27.891 2.799 29.704 1.00 0.00 O
355
+ ATOM 354 CG PHE A 46 30.650 0.222 32.183 1.00 0.00 C
356
+ ATOM 355 CD1 PHE A 46 30.794 -1.155 32.062 1.00 0.00 C
357
+ ATOM 356 CD2 PHE A 46 31.620 0.937 32.873 1.00 0.00 C
358
+ ATOM 357 CE1 PHE A 46 31.890 -1.810 32.619 1.00 0.00 C
359
+ ATOM 358 CE2 PHE A 46 32.718 0.290 33.432 1.00 0.00 C
360
+ ATOM 359 CZ PHE A 46 32.851 -1.084 33.306 1.00 0.00 C
361
+ ATOM 360 N VAL A 47 27.578 0.762 28.785 1.00 0.00 N
362
+ ATOM 361 CA VAL A 47 26.272 1.076 28.214 1.00 0.00 C
363
+ ATOM 362 C VAL A 47 25.168 0.538 29.122 1.00 0.00 C
364
+ ATOM 363 CB VAL A 47 26.121 0.496 26.791 1.00 0.00 C
365
+ ATOM 364 O VAL A 47 25.183 -0.636 29.499 1.00 0.00 O
366
+ ATOM 365 CG1 VAL A 47 24.793 0.927 26.169 1.00 0.00 C
367
+ ATOM 366 CG2 VAL A 47 27.292 0.930 25.911 1.00 0.00 C
368
+ ATOM 367 N HIS A 48 24.189 1.341 29.448 1.00 0.00 N
369
+ ATOM 368 CA HIS A 48 23.206 0.994 30.467 1.00 0.00 C
370
+ ATOM 369 C HIS A 48 21.893 0.542 29.837 1.00 0.00 C
371
+ ATOM 370 CB HIS A 48 22.960 2.182 31.399 1.00 0.00 C
372
+ ATOM 371 O HIS A 48 20.921 0.271 30.546 1.00 0.00 O
373
+ ATOM 372 CG HIS A 48 24.179 2.621 32.147 1.00 0.00 C
374
+ ATOM 373 CD2 HIS A 48 24.827 3.809 32.171 1.00 0.00 C
375
+ ATOM 374 ND1 HIS A 48 24.873 1.785 32.995 1.00 0.00 N
376
+ ATOM 375 CE1 HIS A 48 25.899 2.443 33.509 1.00 0.00 C
377
+ ATOM 376 NE2 HIS A 48 25.893 3.673 33.025 1.00 0.00 N
378
+ ATOM 377 N GLU A 49 21.899 0.380 28.538 1.00 0.00 N
379
+ ATOM 378 CA GLU A 49 20.753 -0.146 27.803 1.00 0.00 C
380
+ ATOM 379 C GLU A 49 20.736 -1.673 27.825 1.00 0.00 C
381
+ ATOM 380 CB GLU A 49 20.763 0.358 26.358 1.00 0.00 C
382
+ ATOM 381 O GLU A 49 21.713 -2.303 28.233 1.00 0.00 O
383
+ ATOM 382 CG GLU A 49 20.805 1.874 26.236 1.00 0.00 C
384
+ ATOM 383 CD GLU A 49 19.585 2.558 26.835 1.00 0.00 C
385
+ ATOM 384 OE1 GLU A 49 18.506 1.925 26.902 1.00 0.00 O
386
+ ATOM 385 OE2 GLU A 49 19.709 3.735 27.239 1.00 0.00 O
387
+ ATOM 386 N SER A 50 19.612 -2.207 27.441 1.00 0.00 N
388
+ ATOM 387 CA SER A 50 19.542 -3.661 27.346 1.00 0.00 C
389
+ ATOM 388 C SER A 50 20.475 -4.189 26.260 1.00 0.00 C
390
+ ATOM 389 CB SER A 50 18.109 -4.112 27.061 1.00 0.00 C
391
+ ATOM 390 O SER A 50 20.787 -3.478 25.303 1.00 0.00 O
392
+ ATOM 391 OG SER A 50 17.735 -3.791 25.733 1.00 0.00 O
393
+ ATOM 392 N LEU A 51 20.938 -5.364 26.455 1.00 0.00 N
394
+ ATOM 393 CA LEU A 51 21.784 -6.004 25.455 1.00 0.00 C
395
+ ATOM 394 C LEU A 51 21.081 -6.061 24.104 1.00 0.00 C
396
+ ATOM 395 CB LEU A 51 22.169 -7.416 25.903 1.00 0.00 C
397
+ ATOM 396 O LEU A 51 21.708 -5.848 23.062 1.00 0.00 O
398
+ ATOM 397 CG LEU A 51 23.020 -8.229 24.927 1.00 0.00 C
399
+ ATOM 398 CD1 LEU A 51 24.312 -7.485 24.603 1.00 0.00 C
400
+ ATOM 399 CD2 LEU A 51 23.323 -9.610 25.501 1.00 0.00 C
401
+ ATOM 400 N ALA A 52 19.784 -6.349 24.113 1.00 0.00 N
402
+ ATOM 401 CA ALA A 52 19.011 -6.408 22.876 1.00 0.00 C
403
+ ATOM 402 C ALA A 52 19.056 -5.074 22.137 1.00 0.00 C
404
+ ATOM 403 CB ALA A 52 17.566 -6.802 23.170 1.00 0.00 C
405
+ ATOM 404 O ALA A 52 19.199 -5.039 20.912 1.00 0.00 O
406
+ ATOM 405 N ASP A 53 18.942 -3.971 22.860 1.00 0.00 N
407
+ ATOM 406 CA ASP A 53 18.991 -2.646 22.252 1.00 0.00 C
408
+ ATOM 407 C ASP A 53 20.367 -2.367 21.652 1.00 0.00 C
409
+ ATOM 408 CB ASP A 53 18.637 -1.569 23.279 1.00 0.00 C
410
+ ATOM 409 O ASP A 53 20.473 -1.794 20.566 1.00 0.00 O
411
+ ATOM 410 CG ASP A 53 17.165 -1.568 23.654 1.00 0.00 C
412
+ ATOM 411 OD1 ASP A 53 16.330 -2.029 22.846 1.00 0.00 O
413
+ ATOM 412 OD2 ASP A 53 16.838 -1.100 24.766 1.00 0.00 O
414
+ ATOM 413 N VAL A 54 21.409 -2.797 22.335 1.00 0.00 N
415
+ ATOM 414 CA VAL A 54 22.762 -2.555 21.845 1.00 0.00 C
416
+ ATOM 415 C VAL A 54 23.043 -3.448 20.638 1.00 0.00 C
417
+ ATOM 416 CB VAL A 54 23.818 -2.802 22.946 1.00 0.00 C
418
+ ATOM 417 O VAL A 54 23.665 -3.012 19.667 1.00 0.00 O
419
+ ATOM 418 CG1 VAL A 54 25.231 -2.694 22.375 1.00 0.00 C
420
+ ATOM 419 CG2 VAL A 54 23.627 -1.817 24.098 1.00 0.00 C
421
+ ATOM 420 N GLN A 55 22.545 -4.656 20.623 1.00 0.00 N
422
+ ATOM 421 CA GLN A 55 22.713 -5.544 19.477 1.00 0.00 C
423
+ ATOM 422 C GLN A 55 21.978 -5.008 18.252 1.00 0.00 C
424
+ ATOM 423 CB GLN A 55 22.217 -6.952 19.812 1.00 0.00 C
425
+ ATOM 424 O GLN A 55 22.434 -5.186 17.121 1.00 0.00 O
426
+ ATOM 425 CG GLN A 55 23.148 -7.729 20.733 1.00 0.00 C
427
+ ATOM 426 CD GLN A 55 22.580 -9.075 21.142 1.00 0.00 C
428
+ ATOM 427 NE2 GLN A 55 23.459 -10.004 21.504 1.00 0.00 N
429
+ ATOM 428 OE1 GLN A 55 21.362 -9.278 21.132 1.00 0.00 O
430
+ ATOM 429 N ALA A 56 20.873 -4.359 18.522 1.00 0.00 N
431
+ ATOM 430 CA ALA A 56 20.075 -3.811 17.429 1.00 0.00 C
432
+ ATOM 431 C ALA A 56 20.836 -2.713 16.691 1.00 0.00 C
433
+ ATOM 432 CB ALA A 56 18.748 -3.273 17.957 1.00 0.00 C
434
+ ATOM 433 O ALA A 56 20.491 -2.362 15.561 1.00 0.00 O
435
+ ATOM 434 N VAL A 57 21.885 -2.113 17.305 1.00 0.00 N
436
+ ATOM 435 CA VAL A 57 22.675 -1.053 16.686 1.00 0.00 C
437
+ ATOM 436 C VAL A 57 23.350 -1.581 15.423 1.00 0.00 C
438
+ ATOM 437 CB VAL A 57 23.734 -0.492 17.661 1.00 0.00 C
439
+ ATOM 438 O VAL A 57 23.579 -0.829 14.472 1.00 0.00 O
440
+ ATOM 439 CG1 VAL A 57 24.649 0.504 16.950 1.00 0.00 C
441
+ ATOM 440 CG2 VAL A 57 23.057 0.165 18.863 1.00 0.00 C
442
+ ATOM 441 N CYS A 58 23.621 -2.878 15.348 1.00 0.00 N
443
+ ATOM 442 CA CYS A 58 24.345 -3.506 14.248 1.00 0.00 C
444
+ ATOM 443 C CYS A 58 23.530 -3.454 12.961 1.00 0.00 C
445
+ ATOM 444 CB CYS A 58 24.686 -4.955 14.589 1.00 0.00 C
446
+ ATOM 445 O CYS A 58 24.047 -3.753 11.882 1.00 0.00 O
447
+ ATOM 446 SG CYS A 58 26.014 -5.125 15.800 1.00 0.00 S
448
+ ATOM 447 N SER A 59 22.319 -3.071 12.976 1.00 0.00 N
449
+ ATOM 448 CA SER A 59 21.487 -2.940 11.784 1.00 0.00 C
450
+ ATOM 449 C SER A 59 21.065 -1.492 11.561 1.00 0.00 C
451
+ ATOM 450 CB SER A 59 20.248 -3.830 11.894 1.00 0.00 C
452
+ ATOM 451 O SER A 59 20.087 -1.226 10.858 1.00 0.00 O
453
+ ATOM 452 OG SER A 59 20.617 -5.180 12.118 1.00 0.00 O
454
+ ATOM 453 N GLN A 60 21.755 -0.574 12.187 1.00 0.00 N
455
+ ATOM 454 CA GLN A 60 21.372 0.828 12.068 1.00 0.00 C
456
+ ATOM 455 C GLN A 60 22.288 1.568 11.096 1.00 0.00 C
457
+ ATOM 456 CB GLN A 60 21.397 1.511 13.436 1.00 0.00 C
458
+ ATOM 457 O GLN A 60 22.495 1.120 9.967 1.00 0.00 O
459
+ ATOM 458 CG GLN A 60 20.378 0.952 14.420 1.00 0.00 C
460
+ ATOM 459 CD GLN A 60 20.355 1.711 15.735 1.00 0.00 C
461
+ ATOM 460 NE2 GLN A 60 19.771 1.100 16.760 1.00 0.00 N
462
+ ATOM 461 OE1 GLN A 60 20.858 2.835 15.827 1.00 0.00 O
463
+ ATOM 462 N LYS A 61 22.813 2.782 11.509 1.00 0.00 N
464
+ ATOM 463 CA LYS A 61 23.591 3.607 10.589 1.00 0.00 C
465
+ ATOM 464 C LYS A 61 25.021 3.088 10.462 1.00 0.00 C
466
+ ATOM 465 CB LYS A 61 23.602 5.065 11.052 1.00 0.00 C
467
+ ATOM 466 O LYS A 61 25.795 3.146 11.419 1.00 0.00 O
468
+ ATOM 467 CG LYS A 61 24.325 6.009 10.103 1.00 0.00 C
469
+ ATOM 468 CD LYS A 61 24.354 7.432 10.646 1.00 0.00 C
470
+ ATOM 469 CE LYS A 61 25.169 8.356 9.752 1.00 0.00 C
471
+ ATOM 470 NZ LYS A 61 25.257 9.737 10.315 1.00 0.00 N
472
+ ATOM 471 N ASN A 62 25.341 2.609 9.265 1.00 0.00 N
473
+ ATOM 472 CA ASN A 62 26.706 2.171 8.991 1.00 0.00 C
474
+ ATOM 473 C ASN A 62 27.664 3.355 8.888 1.00 0.00 C
475
+ ATOM 474 CB ASN A 62 26.754 1.335 7.711 1.00 0.00 C
476
+ ATOM 475 O ASN A 62 27.397 4.312 8.159 1.00 0.00 O
477
+ ATOM 476 CG ASN A 62 28.124 0.739 7.455 1.00 0.00 C
478
+ ATOM 477 ND2 ASN A 62 28.556 -0.155 8.337 1.00 0.00 N
479
+ ATOM 478 OD1 ASN A 62 28.788 1.077 6.471 1.00 0.00 O
480
+ ATOM 479 N VAL A 63 28.835 3.317 9.626 1.00 0.00 N
481
+ ATOM 480 CA VAL A 63 29.841 4.373 9.649 1.00 0.00 C
482
+ ATOM 481 C VAL A 63 31.237 3.757 9.605 1.00 0.00 C
483
+ ATOM 482 CB VAL A 63 29.694 5.272 10.897 1.00 0.00 C
484
+ ATOM 483 O VAL A 63 31.407 2.565 9.877 1.00 0.00 O
485
+ ATOM 484 CG1 VAL A 63 28.332 5.962 10.907 1.00 0.00 C
486
+ ATOM 485 CG2 VAL A 63 29.891 4.451 12.170 1.00 0.00 C
487
+ ATOM 486 N ALA A 64 32.225 4.568 9.241 1.00 0.00 N
488
+ ATOM 487 CA ALA A 64 33.610 4.108 9.266 1.00 0.00 C
489
+ ATOM 488 C ALA A 64 34.133 4.017 10.697 1.00 0.00 C
490
+ ATOM 489 CB ALA A 64 34.495 5.037 8.438 1.00 0.00 C
491
+ ATOM 490 O ALA A 64 33.917 4.926 11.502 1.00 0.00 O
492
+ ATOM 491 N CYS A 65 34.765 2.851 10.986 1.00 0.00 N
493
+ ATOM 492 CA CYS A 65 35.408 2.707 12.287 1.00 0.00 C
494
+ ATOM 493 C CYS A 65 36.600 3.646 12.414 1.00 0.00 C
495
+ ATOM 494 CB CYS A 65 35.859 1.263 12.506 1.00 0.00 C
496
+ ATOM 495 O CYS A 65 37.128 4.126 11.408 1.00 0.00 O
497
+ ATOM 496 SG CYS A 65 34.563 0.042 12.206 1.00 0.00 S
498
+ ATOM 497 N LYS A 66 37.080 3.950 13.692 1.00 0.00 N
499
+ ATOM 498 CA LYS A 66 38.246 4.794 13.933 1.00 0.00 C
500
+ ATOM 499 C LYS A 66 39.476 4.251 13.211 1.00 0.00 C
501
+ ATOM 500 CB LYS A 66 38.527 4.907 15.432 1.00 0.00 C
502
+ ATOM 501 O LYS A 66 40.334 5.020 12.771 1.00 0.00 O
503
+ ATOM 502 CG LYS A 66 37.579 5.842 16.170 1.00 0.00 C
504
+ ATOM 503 CD LYS A 66 37.963 5.983 17.637 1.00 0.00 C
505
+ ATOM 504 CE LYS A 66 37.027 6.931 18.373 1.00 0.00 C
506
+ ATOM 505 NZ LYS A 66 37.308 6.961 19.840 1.00 0.00 N
507
+ ATOM 506 N ASN A 67 39.554 2.878 13.043 1.00 0.00 N
508
+ ATOM 507 CA ASN A 67 40.711 2.263 12.403 1.00 0.00 C
509
+ ATOM 508 C ASN A 67 40.515 2.130 10.896 1.00 0.00 C
510
+ ATOM 509 CB ASN A 67 41.003 0.894 13.023 1.00 0.00 C
511
+ ATOM 510 O ASN A 67 41.343 1.529 10.209 1.00 0.00 O
512
+ ATOM 511 CG ASN A 67 39.869 -0.091 12.821 1.00 0.00 C
513
+ ATOM 512 ND2 ASN A 67 39.982 -1.260 13.441 1.00 0.00 N
514
+ ATOM 513 OD1 ASN A 67 38.900 0.195 12.112 1.00 0.00 O
515
+ ATOM 514 N GLY A 68 39.321 2.582 10.406 1.00 0.00 N
516
+ ATOM 515 CA GLY A 68 39.087 2.592 8.970 1.00 0.00 C
517
+ ATOM 516 C GLY A 68 38.262 1.412 8.493 1.00 0.00 C
518
+ ATOM 517 O GLY A 68 37.848 1.367 7.333 1.00 0.00 O
519
+ ATOM 518 N GLN A 69 37.993 0.429 9.352 1.00 0.00 N
520
+ ATOM 519 CA GLN A 69 37.133 -0.692 8.987 1.00 0.00 C
521
+ ATOM 520 C GLN A 69 35.707 -0.225 8.708 1.00 0.00 C
522
+ ATOM 521 CB GLN A 69 37.133 -1.749 10.092 1.00 0.00 C
523
+ ATOM 522 O GLN A 69 35.305 0.854 9.148 1.00 0.00 O
524
+ ATOM 523 CG GLN A 69 38.490 -2.401 10.321 1.00 0.00 C
525
+ ATOM 524 CD GLN A 69 38.480 -3.387 11.474 1.00 0.00 C
526
+ ATOM 525 NE2 GLN A 69 39.017 -4.580 11.238 1.00 0.00 N
527
+ ATOM 526 OE1 GLN A 69 37.996 -3.080 12.567 1.00 0.00 O
528
+ ATOM 527 N THR A 70 34.963 -1.066 7.988 1.00 0.00 N
529
+ ATOM 528 CA THR A 70 33.656 -0.630 7.511 1.00 0.00 C
530
+ ATOM 529 C THR A 70 32.539 -1.376 8.234 1.00 0.00 C
531
+ ATOM 530 CB THR A 70 33.517 -0.841 5.991 1.00 0.00 C
532
+ ATOM 531 O THR A 70 31.389 -1.368 7.790 1.00 0.00 O
533
+ ATOM 532 CG2 THR A 70 34.538 -0.008 5.224 1.00 0.00 C
534
+ ATOM 533 OG1 THR A 70 33.722 -2.227 5.687 1.00 0.00 O
535
+ ATOM 534 N ASN A 71 32.847 -2.061 9.301 1.00 0.00 N
536
+ ATOM 535 CA ASN A 71 31.824 -2.840 9.991 1.00 0.00 C
537
+ ATOM 536 C ASN A 71 31.362 -2.152 11.272 1.00 0.00 C
538
+ ATOM 537 CB ASN A 71 32.339 -4.248 10.300 1.00 0.00 C
539
+ ATOM 538 O ASN A 71 30.985 -2.817 12.237 1.00 0.00 O
540
+ ATOM 539 CG ASN A 71 33.519 -4.241 11.252 1.00 0.00 C
541
+ ATOM 540 ND2 ASN A 71 33.634 -5.287 12.061 1.00 0.00 N
542
+ ATOM 541 OD1 ASN A 71 34.321 -3.303 11.260 1.00 0.00 O
543
+ ATOM 542 N CYS A 72 31.411 -0.808 11.275 1.00 0.00 N
544
+ ATOM 543 CA CYS A 72 30.946 -0.071 12.445 1.00 0.00 C
545
+ ATOM 544 C CYS A 72 29.573 0.541 12.194 1.00 0.00 C
546
+ ATOM 545 CB CYS A 72 31.943 1.027 12.818 1.00 0.00 C
547
+ ATOM 546 O CYS A 72 29.257 0.927 11.067 1.00 0.00 O
548
+ ATOM 547 SG CYS A 72 33.389 0.421 13.713 1.00 0.00 S
549
+ ATOM 548 N TYR A 73 28.783 0.566 13.237 1.00 0.00 N
550
+ ATOM 549 CA TYR A 73 27.416 1.074 13.183 1.00 0.00 C
551
+ ATOM 550 C TYR A 73 27.145 2.033 14.336 1.00 0.00 C
552
+ ATOM 551 CB TYR A 73 26.411 -0.083 13.217 1.00 0.00 C
553
+ ATOM 552 O TYR A 73 27.575 1.793 15.466 1.00 0.00 O
554
+ ATOM 553 CG TYR A 73 26.575 -1.062 12.081 1.00 0.00 C
555
+ ATOM 554 CD1 TYR A 73 25.771 -0.984 10.947 1.00 0.00 C
556
+ ATOM 555 CD2 TYR A 73 27.533 -2.069 12.140 1.00 0.00 C
557
+ ATOM 556 CE1 TYR A 73 25.916 -1.887 9.898 1.00 0.00 C
558
+ ATOM 557 CE2 TYR A 73 27.687 -2.977 11.098 1.00 0.00 C
559
+ ATOM 558 OH TYR A 73 27.025 -3.773 8.948 1.00 0.00 O
560
+ ATOM 559 CZ TYR A 73 26.876 -2.877 9.983 1.00 0.00 C
561
+ ATOM 560 N GLN A 74 26.455 3.085 14.035 1.00 0.00 N
562
+ ATOM 561 CA GLN A 74 26.071 4.108 15.002 1.00 0.00 C
563
+ ATOM 562 C GLN A 74 24.593 3.996 15.365 1.00 0.00 C
564
+ ATOM 563 CB GLN A 74 26.374 5.504 14.456 1.00 0.00 C
565
+ ATOM 564 O GLN A 74 23.744 3.834 14.487 1.00 0.00 O
566
+ ATOM 565 CG GLN A 74 25.955 6.633 15.387 1.00 0.00 C
567
+ ATOM 566 CD GLN A 74 26.256 8.006 14.818 1.00 0.00 C
568
+ ATOM 567 NE2 GLN A 74 25.550 9.020 15.307 1.00 0.00 N
569
+ ATOM 568 OE1 GLN A 74 27.118 8.156 13.945 1.00 0.00 O
570
+ ATOM 569 N SER A 75 24.301 4.087 16.628 1.00 0.00 N
571
+ ATOM 570 CA SER A 75 22.915 4.035 17.085 1.00 0.00 C
572
+ ATOM 571 C SER A 75 22.121 5.233 16.576 1.00 0.00 C
573
+ ATOM 572 CB SER A 75 22.855 3.985 18.612 1.00 0.00 C
574
+ ATOM 573 O SER A 75 22.662 6.333 16.444 1.00 0.00 O
575
+ ATOM 574 OG SER A 75 23.394 5.169 19.175 1.00 0.00 O
576
+ ATOM 575 N TYR A 76 20.842 5.002 16.254 1.00 0.00 N
577
+ ATOM 576 CA TYR A 76 19.951 6.070 15.816 1.00 0.00 C
578
+ ATOM 577 C TYR A 76 19.606 7.001 16.972 1.00 0.00 C
579
+ ATOM 578 CB TYR A 76 18.669 5.489 15.214 1.00 0.00 C
580
+ ATOM 579 O TYR A 76 19.484 8.214 16.786 1.00 0.00 O
581
+ ATOM 580 CG TYR A 76 18.850 4.935 13.820 1.00 0.00 C
582
+ ATOM 581 CD1 TYR A 76 19.736 5.529 12.924 1.00 0.00 C
583
+ ATOM 582 CD2 TYR A 76 18.135 3.821 13.398 1.00 0.00 C
584
+ ATOM 583 CE1 TYR A 76 19.904 5.024 11.638 1.00 0.00 C
585
+ ATOM 584 CE2 TYR A 76 18.295 3.307 12.114 1.00 0.00 C
586
+ ATOM 585 OH TYR A 76 19.343 3.411 9.972 1.00 0.00 O
587
+ ATOM 586 CZ TYR A 76 19.181 3.915 11.244 1.00 0.00 C
588
+ ATOM 587 N SER A 77 19.449 6.485 18.143 1.00 0.00 N
589
+ ATOM 588 CA SER A 77 19.112 7.255 19.336 1.00 0.00 C
590
+ ATOM 589 C SER A 77 20.254 7.238 20.346 1.00 0.00 C
591
+ ATOM 590 CB SER A 77 17.839 6.710 19.984 1.00 0.00 C
592
+ ATOM 591 O SER A 77 21.119 6.361 20.299 1.00 0.00 O
593
+ ATOM 592 OG SER A 77 18.014 5.361 20.380 1.00 0.00 O
594
+ ATOM 593 N THR A 78 20.252 8.260 21.176 1.00 0.00 N
595
+ ATOM 594 CA THR A 78 21.242 8.270 22.246 1.00 0.00 C
596
+ ATOM 595 C THR A 78 20.954 7.167 23.260 1.00 0.00 C
597
+ ATOM 596 CB THR A 78 21.277 9.633 22.962 1.00 0.00 C
598
+ ATOM 597 O THR A 78 19.806 6.744 23.415 1.00 0.00 O
599
+ ATOM 598 CG2 THR A 78 21.629 10.756 21.991 1.00 0.00 C
600
+ ATOM 599 OG1 THR A 78 19.991 9.898 23.536 1.00 0.00 O
601
+ ATOM 600 N MET A 79 21.978 6.712 23.768 1.00 0.00 N
602
+ ATOM 601 CA MET A 79 21.914 5.694 24.813 1.00 0.00 C
603
+ ATOM 602 C MET A 79 22.583 6.184 26.092 1.00 0.00 C
604
+ ATOM 603 CB MET A 79 22.573 4.397 24.341 1.00 0.00 C
605
+ ATOM 604 O MET A 79 23.511 6.994 26.042 1.00 0.00 O
606
+ ATOM 605 CG MET A 79 21.904 3.775 23.125 1.00 0.00 C
607
+ ATOM 606 SD MET A 79 22.636 2.156 22.672 1.00 0.00 S
608
+ ATOM 607 CE MET A 79 21.504 1.653 21.346 1.00 0.00 C
609
+ ATOM 608 N SER A 80 22.013 5.755 27.240 1.00 0.00 N
610
+ ATOM 609 CA SER A 80 22.609 6.089 28.529 1.00 0.00 C
611
+ ATOM 610 C SER A 80 23.926 5.348 28.737 1.00 0.00 C
612
+ ATOM 611 CB SER A 80 21.644 5.760 29.668 1.00 0.00 C
613
+ ATOM 612 O SER A 80 23.972 4.119 28.657 1.00 0.00 O
614
+ ATOM 613 OG SER A 80 22.186 6.154 30.917 1.00 0.00 O
615
+ ATOM 614 N ILE A 81 25.073 6.141 28.958 1.00 0.00 N
616
+ ATOM 615 CA ILE A 81 26.385 5.524 29.111 1.00 0.00 C
617
+ ATOM 616 C ILE A 81 27.123 6.165 30.284 1.00 0.00 C
618
+ ATOM 617 CB ILE A 81 27.223 5.648 27.818 1.00 0.00 C
619
+ ATOM 618 O ILE A 81 26.764 7.258 30.729 1.00 0.00 O
620
+ ATOM 619 CG1 ILE A 81 27.479 7.123 27.488 1.00 0.00 C
621
+ ATOM 620 CG2 ILE A 81 26.527 4.938 26.653 1.00 0.00 C
622
+ ATOM 621 CD1 ILE A 81 28.610 7.347 26.494 1.00 0.00 C
623
+ ATOM 622 N THR A 82 28.072 5.471 30.803 1.00 0.00 N
624
+ ATOM 623 CA THR A 82 29.064 6.006 31.730 1.00 0.00 C
625
+ ATOM 624 C THR A 82 30.473 5.845 31.165 1.00 0.00 C
626
+ ATOM 625 CB THR A 82 28.975 5.314 33.102 1.00 0.00 C
627
+ ATOM 626 O THR A 82 30.896 4.732 30.846 1.00 0.00 O
628
+ ATOM 627 CG2 THR A 82 30.034 5.853 34.059 1.00 0.00 C
629
+ ATOM 628 OG1 THR A 82 27.677 5.545 33.664 1.00 0.00 O
630
+ ATOM 629 N ASP A 83 31.176 6.942 30.975 1.00 0.00 N
631
+ ATOM 630 CA ASP A 83 32.584 6.945 30.586 1.00 0.00 C
632
+ ATOM 631 C ASP A 83 33.492 6.920 31.813 1.00 0.00 C
633
+ ATOM 632 CB ASP A 83 32.899 8.169 29.723 1.00 0.00 C
634
+ ATOM 633 O ASP A 83 33.334 7.733 32.726 1.00 0.00 O
635
+ ATOM 634 CG ASP A 83 32.333 8.066 28.318 1.00 0.00 C
636
+ ATOM 635 OD1 ASP A 83 32.395 6.974 27.714 1.00 0.00 O
637
+ ATOM 636 OD2 ASP A 83 31.822 9.088 27.809 1.00 0.00 O
638
+ ATOM 637 N CYS A 84 34.275 5.954 31.848 1.00 0.00 N
639
+ ATOM 638 CA CYS A 84 35.298 5.811 32.878 1.00 0.00 C
640
+ ATOM 639 C CYS A 84 36.673 6.181 32.335 1.00 0.00 C
641
+ ATOM 640 CB CYS A 84 35.320 4.380 33.415 1.00 0.00 C
642
+ ATOM 641 O CYS A 84 37.184 5.522 31.426 1.00 0.00 O
643
+ ATOM 642 SG CYS A 84 33.764 3.864 34.173 1.00 0.00 S
644
+ ATOM 643 N ARG A 85 37.265 7.190 32.880 1.00 0.00 N
645
+ ATOM 644 CA ARG A 85 38.586 7.637 32.448 1.00 0.00 C
646
+ ATOM 645 C ARG A 85 39.567 7.653 33.615 1.00 0.00 C
647
+ ATOM 646 CB ARG A 85 38.502 9.027 31.814 1.00 0.00 C
648
+ ATOM 647 O ARG A 85 39.279 8.225 34.668 1.00 0.00 O
649
+ ATOM 648 CG ARG A 85 39.825 9.530 31.258 1.00 0.00 C
650
+ ATOM 649 CD ARG A 85 39.663 10.860 30.536 1.00 0.00 C
651
+ ATOM 650 NE ARG A 85 38.903 10.712 29.298 1.00 0.00 N
652
+ ATOM 651 NH1 ARG A 85 40.760 10.489 27.942 1.00 0.00 N
653
+ ATOM 652 NH2 ARG A 85 38.657 10.415 27.034 1.00 0.00 N
654
+ ATOM 653 CZ ARG A 85 39.442 10.540 28.093 1.00 0.00 C
655
+ ATOM 654 N GLU A 86 40.662 7.040 33.373 1.00 0.00 N
656
+ ATOM 655 CA GLU A 86 41.715 7.006 34.385 1.00 0.00 C
657
+ ATOM 656 C GLU A 86 42.158 8.416 34.766 1.00 0.00 C
658
+ ATOM 657 CB GLU A 86 42.914 6.195 33.886 1.00 0.00 C
659
+ ATOM 658 O GLU A 86 42.342 9.271 33.897 1.00 0.00 O
660
+ ATOM 659 CG GLU A 86 43.975 5.950 34.949 1.00 0.00 C
661
+ ATOM 660 CD GLU A 86 45.179 5.181 34.429 1.00 0.00 C
662
+ ATOM 661 OE1 GLU A 86 45.355 5.093 33.193 1.00 0.00 O
663
+ ATOM 662 OE2 GLU A 86 45.951 4.660 35.265 1.00 0.00 O
664
+ ATOM 663 N THR A 87 42.272 8.650 36.091 1.00 0.00 N
665
+ ATOM 664 CA THR A 87 42.658 9.961 36.598 1.00 0.00 C
666
+ ATOM 665 C THR A 87 44.175 10.068 36.721 1.00 0.00 C
667
+ ATOM 666 CB THR A 87 42.008 10.246 37.965 1.00 0.00 C
668
+ ATOM 667 O THR A 87 44.881 9.059 36.666 1.00 0.00 O
669
+ ATOM 668 CG2 THR A 87 40.500 10.024 37.913 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 87 42.574 9.371 38.948 1.00 0.00 O
671
+ ATOM 670 N GLY A 88 44.666 11.370 36.877 1.00 0.00 N
672
+ ATOM 671 CA GLY A 88 46.085 11.624 37.064 1.00 0.00 C
673
+ ATOM 672 C GLY A 88 46.642 10.994 38.326 1.00 0.00 C
674
+ ATOM 673 O GLY A 88 47.851 10.777 38.436 1.00 0.00 O
675
+ ATOM 674 N SER A 89 45.805 10.674 39.256 1.00 0.00 N
676
+ ATOM 675 CA SER A 89 46.237 10.112 40.532 1.00 0.00 C
677
+ ATOM 676 C SER A 89 46.261 8.588 40.484 1.00 0.00 C
678
+ ATOM 677 CB SER A 89 45.319 10.580 41.662 1.00 0.00 C
679
+ ATOM 678 O SER A 89 46.612 7.936 41.471 1.00 0.00 O
680
+ ATOM 679 OG SER A 89 43.991 10.134 41.450 1.00 0.00 O
681
+ ATOM 680 N SER A 90 45.991 7.999 39.418 1.00 0.00 N
682
+ ATOM 681 CA SER A 90 45.918 6.549 39.275 1.00 0.00 C
683
+ ATOM 682 C SER A 90 47.309 5.923 39.280 1.00 0.00 C
684
+ ATOM 683 CB SER A 90 45.186 6.172 37.988 1.00 0.00 C
685
+ ATOM 684 O SER A 90 48.208 6.388 38.577 1.00 0.00 O
686
+ ATOM 685 OG SER A 90 45.011 4.768 37.901 1.00 0.00 O
687
+ ATOM 686 N LYS A 91 47.454 4.862 40.036 1.00 0.00 N
688
+ ATOM 687 CA LYS A 91 48.647 4.024 40.109 1.00 0.00 C
689
+ ATOM 688 C LYS A 91 48.276 2.552 40.267 1.00 0.00 C
690
+ ATOM 689 CB LYS A 91 49.543 4.466 41.267 1.00 0.00 C
691
+ ATOM 690 O LYS A 91 47.606 2.175 41.230 1.00 0.00 O
692
+ ATOM 691 CG LYS A 91 50.934 3.849 41.246 1.00 0.00 C
693
+ ATOM 692 CD LYS A 91 51.820 4.427 42.341 1.00 0.00 C
694
+ ATOM 693 CE LYS A 91 53.206 3.797 42.331 1.00 0.00 C
695
+ ATOM 694 NZ LYS A 91 54.100 4.410 43.359 1.00 0.00 N
696
+ ATOM 695 N TYR A 92 48.815 1.754 39.366 1.00 0.00 N
697
+ ATOM 696 CA TYR A 92 48.544 0.326 39.491 1.00 0.00 C
698
+ ATOM 697 C TYR A 92 49.169 -0.238 40.761 1.00 0.00 C
699
+ ATOM 698 CB TYR A 92 49.073 -0.430 38.268 1.00 0.00 C
700
+ ATOM 699 O TYR A 92 50.330 0.043 41.067 1.00 0.00 O
701
+ ATOM 700 CG TYR A 92 48.820 -1.918 38.319 1.00 0.00 C
702
+ ATOM 701 CD1 TYR A 92 47.586 -2.448 37.949 1.00 0.00 C
703
+ ATOM 702 CD2 TYR A 92 49.814 -2.796 38.738 1.00 0.00 C
704
+ ATOM 703 CE1 TYR A 92 47.348 -3.817 37.996 1.00 0.00 C
705
+ ATOM 704 CE2 TYR A 92 49.588 -4.167 38.788 1.00 0.00 C
706
+ ATOM 705 OH TYR A 92 48.123 -6.024 38.464 1.00 0.00 O
707
+ ATOM 706 CZ TYR A 92 48.354 -4.668 38.416 1.00 0.00 C
708
+ ATOM 707 N PRO A 93 48.428 -1.023 41.446 1.00 0.00 N
709
+ ATOM 708 CA PRO A 93 47.131 -1.639 41.157 1.00 0.00 C
710
+ ATOM 709 C PRO A 93 45.959 -0.830 41.707 1.00 0.00 C
711
+ ATOM 710 CB PRO A 93 47.227 -3.002 41.848 1.00 0.00 C
712
+ ATOM 711 O PRO A 93 44.820 -1.304 41.699 1.00 0.00 O
713
+ ATOM 712 CG PRO A 93 48.081 -2.762 43.050 1.00 0.00 C
714
+ ATOM 713 CD PRO A 93 49.127 -1.745 42.698 1.00 0.00 C
715
+ ATOM 714 N ASN A 94 46.228 0.373 42.277 1.00 0.00 N
716
+ ATOM 715 CA ASN A 94 45.171 1.252 42.767 1.00 0.00 C
717
+ ATOM 716 C ASN A 94 44.672 2.192 41.673 1.00 0.00 C
718
+ ATOM 717 CB ASN A 94 45.657 2.053 43.976 1.00 0.00 C
719
+ ATOM 718 O ASN A 94 44.996 3.381 41.676 1.00 0.00 O
720
+ ATOM 719 CG ASN A 94 46.093 1.168 45.127 1.00 0.00 C
721
+ ATOM 720 ND2 ASN A 94 47.201 1.527 45.765 1.00 0.00 N
722
+ ATOM 721 OD1 ASN A 94 45.439 0.170 45.440 1.00 0.00 O
723
+ ATOM 722 N CYS A 95 43.915 1.661 40.797 1.00 0.00 N
724
+ ATOM 723 CA CYS A 95 43.409 2.416 39.657 1.00 0.00 C
725
+ ATOM 724 C CYS A 95 42.269 3.337 40.075 1.00 0.00 C
726
+ ATOM 725 CB CYS A 95 42.933 1.470 38.554 1.00 0.00 C
727
+ ATOM 726 O CYS A 95 41.380 2.930 40.826 1.00 0.00 O
728
+ ATOM 727 SG CYS A 95 44.189 0.287 38.019 1.00 0.00 S
729
+ ATOM 728 N ALA A 96 42.310 4.597 39.730 1.00 0.00 N
730
+ ATOM 729 CA ALA A 96 41.300 5.609 40.027 1.00 0.00 C
731
+ ATOM 730 C ALA A 96 40.706 6.184 38.745 1.00 0.00 C
732
+ ATOM 731 CB ALA A 96 41.900 6.725 40.879 1.00 0.00 C
733
+ ATOM 732 O ALA A 96 41.439 6.531 37.816 1.00 0.00 O
734
+ ATOM 733 N TYR A 97 39.382 6.290 38.749 1.00 0.00 N
735
+ ATOM 734 CA TYR A 97 38.709 6.694 37.519 1.00 0.00 C
736
+ ATOM 735 C TYR A 97 37.701 7.804 37.788 1.00 0.00 C
737
+ ATOM 736 CB TYR A 97 38.007 5.497 36.870 1.00 0.00 C
738
+ ATOM 737 O TYR A 97 37.025 7.802 38.820 1.00 0.00 O
739
+ ATOM 738 CG TYR A 97 38.953 4.414 36.414 1.00 0.00 C
740
+ ATOM 739 CD1 TYR A 97 39.479 4.420 35.124 1.00 0.00 C
741
+ ATOM 740 CD2 TYR A 97 39.321 3.381 37.269 1.00 0.00 C
742
+ ATOM 741 CE1 TYR A 97 40.350 3.423 34.697 1.00 0.00 C
743
+ ATOM 742 CE2 TYR A 97 40.191 2.378 36.853 1.00 0.00 C
744
+ ATOM 743 OH TYR A 97 41.561 1.417 35.151 1.00 0.00 O
745
+ ATOM 744 CZ TYR A 97 40.700 2.408 35.568 1.00 0.00 C
746
+ ATOM 745 N LYS A 98 37.638 8.718 36.868 1.00 0.00 N
747
+ ATOM 746 CA LYS A 98 36.546 9.684 36.798 1.00 0.00 C
748
+ ATOM 747 C LYS A 98 35.306 9.065 36.158 1.00 0.00 C
749
+ ATOM 748 CB LYS A 98 36.975 10.925 36.014 1.00 0.00 C
750
+ ATOM 749 O LYS A 98 35.400 8.399 35.125 1.00 0.00 O
751
+ ATOM 750 CG LYS A 98 35.936 12.036 35.994 1.00 0.00 C
752
+ ATOM 751 CD LYS A 98 36.431 13.250 35.221 1.00 0.00 C
753
+ ATOM 752 CE LYS A 98 35.382 14.354 35.179 1.00 0.00 C
754
+ ATOM 753 NZ LYS A 98 35.846 15.530 34.383 1.00 0.00 N
755
+ ATOM 754 N THR A 99 34.175 9.280 36.787 1.00 0.00 N
756
+ ATOM 755 CA THR A 99 32.882 8.790 36.324 1.00 0.00 C
757
+ ATOM 756 C THR A 99 32.095 9.904 35.640 1.00 0.00 C
758
+ ATOM 757 CB THR A 99 32.054 8.215 37.488 1.00 0.00 C
759
+ ATOM 758 O THR A 99 31.821 10.942 36.247 1.00 0.00 O
760
+ ATOM 759 CG2 THR A 99 30.698 7.713 37.003 1.00 0.00 C
761
+ ATOM 760 OG1 THR A 99 32.770 7.125 38.083 1.00 0.00 O
762
+ ATOM 761 N THR A 100 31.833 9.709 34.379 1.00 0.00 N
763
+ ATOM 762 CA THR A 100 31.051 10.686 33.630 1.00 0.00 C
764
+ ATOM 763 C THR A 100 29.842 10.024 32.975 1.00 0.00 C
765
+ ATOM 764 CB THR A 100 31.906 11.380 32.553 1.00 0.00 C
766
+ ATOM 765 O THR A 100 29.994 9.174 32.095 1.00 0.00 O
767
+ ATOM 766 CG2 THR A 100 31.114 12.472 31.841 1.00 0.00 C
768
+ ATOM 767 OG1 THR A 100 33.058 11.966 33.171 1.00 0.00 O
769
+ ATOM 768 N GLN A 101 28.721 10.413 33.356 1.00 0.00 N
770
+ ATOM 769 CA GLN A 101 27.485 9.928 32.749 1.00 0.00 C
771
+ ATOM 770 C GLN A 101 27.030 10.846 31.618 1.00 0.00 C
772
+ ATOM 771 CB GLN A 101 26.382 9.806 33.802 1.00 0.00 C
773
+ ATOM 772 O GLN A 101 27.171 12.067 31.708 1.00 0.00 O
774
+ ATOM 773 CG GLN A 101 26.663 8.756 34.869 1.00 0.00 C
775
+ ATOM 774 CD GLN A 101 25.567 8.673 35.915 1.00 0.00 C
776
+ ATOM 775 NE2 GLN A 101 25.610 7.631 36.737 1.00 0.00 N
777
+ ATOM 776 OE1 GLN A 101 24.690 9.539 35.982 1.00 0.00 O
778
+ ATOM 777 N ALA A 102 26.468 10.187 30.620 1.00 0.00 N
779
+ ATOM 778 CA ALA A 102 25.981 10.969 29.487 1.00 0.00 C
780
+ ATOM 779 C ALA A 102 25.010 10.156 28.636 1.00 0.00 C
781
+ ATOM 780 CB ALA A 102 27.150 11.458 28.636 1.00 0.00 C
782
+ ATOM 781 O ALA A 102 24.950 8.929 28.751 1.00 0.00 O
783
+ ATOM 782 N ASN A 103 24.225 10.864 27.899 1.00 0.00 N
784
+ ATOM 783 CA ASN A 103 23.446 10.289 26.808 1.00 0.00 C
785
+ ATOM 784 C ASN A 103 24.068 10.601 25.450 1.00 0.00 C
786
+ ATOM 785 CB ASN A 103 22.001 10.788 26.858 1.00 0.00 C
787
+ ATOM 786 O ASN A 103 24.094 11.758 25.026 1.00 0.00 O
788
+ ATOM 787 CG ASN A 103 21.248 10.276 28.070 1.00 0.00 C
789
+ ATOM 788 ND2 ASN A 103 20.449 11.143 28.681 1.00 0.00 N
790
+ ATOM 789 OD1 ASN A 103 21.383 9.112 28.454 1.00 0.00 O
791
+ ATOM 790 N LYS A 104 24.601 9.633 24.846 1.00 0.00 N
792
+ ATOM 791 CA LYS A 104 25.307 9.811 23.580 1.00 0.00 C
793
+ ATOM 792 C LYS A 104 24.947 8.708 22.590 1.00 0.00 C
794
+ ATOM 793 CB LYS A 104 26.820 9.837 23.807 1.00 0.00 C
795
+ ATOM 794 O LYS A 104 24.494 7.633 22.988 1.00 0.00 O
796
+ ATOM 795 CG LYS A 104 27.304 11.036 24.610 1.00 0.00 C
797
+ ATOM 796 CD LYS A 104 28.825 11.099 24.656 1.00 0.00 C
798
+ ATOM 797 CE LYS A 104 29.312 12.363 25.355 1.00 0.00 C
799
+ ATOM 798 NZ LYS A 104 30.801 12.470 25.329 1.00 0.00 N
800
+ ATOM 799 N HIS A 105 25.144 8.954 21.329 1.00 0.00 N
801
+ ATOM 800 CA HIS A 105 25.151 7.871 20.353 1.00 0.00 C
802
+ ATOM 801 C HIS A 105 26.408 7.016 20.486 1.00 0.00 C
803
+ ATOM 802 CB HIS A 105 25.044 8.428 18.933 1.00 0.00 C
804
+ ATOM 803 O HIS A 105 27.488 7.535 20.780 1.00 0.00 O
805
+ ATOM 804 CG HIS A 105 23.799 9.220 18.691 1.00 0.00 C
806
+ ATOM 805 CD2 HIS A 105 23.569 10.553 18.744 1.00 0.00 C
807
+ ATOM 806 ND1 HIS A 105 22.598 8.635 18.351 1.00 0.00 N
808
+ ATOM 807 CE1 HIS A 105 21.682 9.576 18.205 1.00 0.00 C
809
+ ATOM 808 NE2 HIS A 105 22.245 10.750 18.438 1.00 0.00 N
810
+ ATOM 809 N ILE A 106 26.257 5.774 20.292 1.00 0.00 N
811
+ ATOM 810 CA ILE A 106 27.420 4.898 20.370 1.00 0.00 C
812
+ ATOM 811 C ILE A 106 27.723 4.317 18.990 1.00 0.00 C
813
+ ATOM 812 CB ILE A 106 27.205 3.761 21.394 1.00 0.00 C
814
+ ATOM 813 O ILE A 106 26.829 4.200 18.149 1.00 0.00 O
815
+ ATOM 814 CG1 ILE A 106 26.045 2.860 20.955 1.00 0.00 C
816
+ ATOM 815 CG2 ILE A 106 26.955 4.334 22.792 1.00 0.00 C
817
+ ATOM 816 CD1 ILE A 106 25.965 1.541 21.711 1.00 0.00 C
818
+ ATOM 817 N ILE A 107 28.941 4.077 18.777 1.00 0.00 N
819
+ ATOM 818 CA ILE A 107 29.434 3.373 17.598 1.00 0.00 C
820
+ ATOM 819 C ILE A 107 30.079 2.054 18.017 1.00 0.00 C
821
+ ATOM 820 CB ILE A 107 30.442 4.235 16.806 1.00 0.00 C
822
+ ATOM 821 O ILE A 107 30.985 2.036 18.854 1.00 0.00 O
823
+ ATOM 822 CG1 ILE A 107 29.774 5.527 16.320 1.00 0.00 C
824
+ ATOM 823 CG2 ILE A 107 31.022 3.443 15.630 1.00 0.00 C
825
+ ATOM 824 CD1 ILE A 107 30.732 6.507 15.656 1.00 0.00 C
826
+ ATOM 825 N VAL A 108 29.632 0.917 17.467 1.00 0.00 N
827
+ ATOM 826 CA VAL A 108 30.168 -0.405 17.775 1.00 0.00 C
828
+ ATOM 827 C VAL A 108 30.563 -1.116 16.483 1.00 0.00 C
829
+ ATOM 828 CB VAL A 108 29.151 -1.260 18.564 1.00 0.00 C
830
+ ATOM 829 O VAL A 108 29.978 -0.867 15.427 1.00 0.00 O
831
+ ATOM 830 CG1 VAL A 108 28.858 -0.631 19.925 1.00 0.00 C
832
+ ATOM 831 CG2 VAL A 108 27.862 -1.430 17.762 1.00 0.00 C
833
+ ATOM 832 N ALA A 109 31.564 -1.966 16.584 1.00 0.00 N
834
+ ATOM 833 CA ALA A 109 31.926 -2.875 15.499 1.00 0.00 C
835
+ ATOM 834 C ALA A 109 31.167 -4.194 15.614 1.00 0.00 C
836
+ ATOM 835 CB ALA A 109 33.431 -3.129 15.497 1.00 0.00 C
837
+ ATOM 836 O ALA A 109 31.072 -4.770 16.700 1.00 0.00 O
838
+ ATOM 837 N CYS A 110 30.583 -4.592 14.565 1.00 0.00 N
839
+ ATOM 838 CA CYS A 110 29.730 -5.775 14.585 1.00 0.00 C
840
+ ATOM 839 C CYS A 110 30.300 -6.872 13.692 1.00 0.00 C
841
+ ATOM 840 CB CYS A 110 28.313 -5.422 14.134 1.00 0.00 C
842
+ ATOM 841 O CYS A 110 30.861 -6.587 12.632 1.00 0.00 O
843
+ ATOM 842 SG CYS A 110 27.523 -4.151 15.145 1.00 0.00 S
844
+ ATOM 843 N GLU A 111 30.245 -8.051 14.174 1.00 0.00 N
845
+ ATOM 844 CA GLU A 111 30.766 -9.185 13.418 1.00 0.00 C
846
+ ATOM 845 C GLU A 111 30.006 -10.466 13.750 1.00 0.00 C
847
+ ATOM 846 CB GLU A 111 32.260 -9.374 13.692 1.00 0.00 C
848
+ ATOM 847 O GLU A 111 29.265 -10.517 14.733 1.00 0.00 O
849
+ ATOM 848 CG GLU A 111 33.118 -8.193 13.263 1.00 0.00 C
850
+ ATOM 849 CD GLU A 111 34.595 -8.381 13.571 1.00 0.00 C
851
+ ATOM 850 OE1 GLU A 111 34.999 -9.506 13.941 1.00 0.00 O
852
+ ATOM 851 OE2 GLU A 111 35.354 -7.394 13.442 1.00 0.00 O
853
+ ATOM 852 N GLY A 112 30.250 -11.483 12.947 1.00 0.00 N
854
+ ATOM 853 CA GLY A 112 29.791 -12.829 13.252 1.00 0.00 C
855
+ ATOM 854 C GLY A 112 28.375 -13.098 12.779 1.00 0.00 C
856
+ ATOM 855 O GLY A 112 27.733 -12.221 12.196 1.00 0.00 O
857
+ ATOM 856 N ASN A 113 27.934 -14.244 12.919 1.00 0.00 N
858
+ ATOM 857 CA ASN A 113 26.579 -14.764 12.771 1.00 0.00 C
859
+ ATOM 858 C ASN A 113 26.074 -15.392 14.067 1.00 0.00 C
860
+ ATOM 859 CB ASN A 113 26.518 -15.782 11.629 1.00 0.00 C
861
+ ATOM 860 O ASN A 113 26.466 -16.507 14.416 1.00 0.00 O
862
+ ATOM 861 CG ASN A 113 25.098 -16.166 11.266 1.00 0.00 C
863
+ ATOM 862 ND2 ASN A 113 24.955 -17.049 10.283 1.00 0.00 N
864
+ ATOM 863 OD1 ASN A 113 24.136 -15.675 11.862 1.00 0.00 O
865
+ ATOM 864 N PRO A 114 25.270 -14.769 14.745 1.00 0.00 N
866
+ ATOM 865 CA PRO A 114 24.536 -13.539 14.441 1.00 0.00 C
867
+ ATOM 866 C PRO A 114 25.434 -12.304 14.429 1.00 0.00 C
868
+ ATOM 867 CB PRO A 114 23.505 -13.455 15.569 1.00 0.00 C
869
+ ATOM 868 O PRO A 114 26.548 -12.340 14.958 1.00 0.00 O
870
+ ATOM 869 CG PRO A 114 24.154 -14.133 16.731 1.00 0.00 C
871
+ ATOM 870 CD PRO A 114 25.024 -15.243 16.212 1.00 0.00 C
872
+ ATOM 871 N TYR A 115 24.992 -11.355 13.746 1.00 0.00 N
873
+ ATOM 872 CA TYR A 115 25.672 -10.075 13.595 1.00 0.00 C
874
+ ATOM 873 C TYR A 115 25.510 -9.220 14.846 1.00 0.00 C
875
+ ATOM 874 CB TYR A 115 25.134 -9.320 12.375 1.00 0.00 C
876
+ ATOM 875 O TYR A 115 24.444 -8.647 15.081 1.00 0.00 O
877
+ ATOM 876 CG TYR A 115 26.044 -8.215 11.896 1.00 0.00 C
878
+ ATOM 877 CD1 TYR A 115 27.348 -8.486 11.490 1.00 0.00 C
879
+ ATOM 878 CD2 TYR A 115 25.602 -6.897 11.849 1.00 0.00 C
880
+ ATOM 879 CE1 TYR A 115 28.191 -7.471 11.049 1.00 0.00 C
881
+ ATOM 880 CE2 TYR A 115 26.435 -5.874 11.411 1.00 0.00 C
882
+ ATOM 881 OH TYR A 115 28.555 -5.161 10.577 1.00 0.00 O
883
+ ATOM 882 CZ TYR A 115 27.726 -6.170 11.012 1.00 0.00 C
884
+ ATOM 883 N VAL A 116 26.565 -9.244 15.805 1.00 0.00 N
885
+ ATOM 884 CA VAL A 116 26.469 -8.673 17.144 1.00 0.00 C
886
+ ATOM 885 C VAL A 116 27.696 -7.810 17.427 1.00 0.00 C
887
+ ATOM 886 CB VAL A 116 26.332 -9.773 18.221 1.00 0.00 C
888
+ ATOM 887 O VAL A 116 28.733 -7.962 16.778 1.00 0.00 O
889
+ ATOM 888 CG1 VAL A 116 24.984 -10.482 18.099 1.00 0.00 C
890
+ ATOM 889 CG2 VAL A 116 27.479 -10.776 18.107 1.00 0.00 C
891
+ ATOM 890 N PRO A 117 27.542 -6.872 18.407 1.00 0.00 N
892
+ ATOM 891 CA PRO A 117 28.677 -6.025 18.778 1.00 0.00 C
893
+ ATOM 892 C PRO A 117 29.846 -6.823 19.351 1.00 0.00 C
894
+ ATOM 893 CB PRO A 117 28.088 -5.087 19.834 1.00 0.00 C
895
+ ATOM 894 O PRO A 117 29.645 -7.706 20.189 1.00 0.00 O
896
+ ATOM 895 CG PRO A 117 26.611 -5.143 19.613 1.00 0.00 C
897
+ ATOM 896 CD PRO A 117 26.250 -6.523 19.147 1.00 0.00 C
898
+ ATOM 897 N VAL A 118 31.122 -6.509 18.875 1.00 0.00 N
899
+ ATOM 898 CA VAL A 118 32.314 -7.211 19.339 1.00 0.00 C
900
+ ATOM 899 C VAL A 118 33.359 -6.200 19.808 1.00 0.00 C
901
+ ATOM 900 CB VAL A 118 32.905 -8.115 18.234 1.00 0.00 C
902
+ ATOM 901 O VAL A 118 34.357 -6.573 20.429 1.00 0.00 O
903
+ ATOM 902 CG1 VAL A 118 31.937 -9.242 17.882 1.00 0.00 C
904
+ ATOM 903 CG2 VAL A 118 33.244 -7.289 16.994 1.00 0.00 C
905
+ ATOM 904 N HIS A 119 33.115 -4.919 19.548 1.00 0.00 N
906
+ ATOM 905 CA HIS A 119 34.035 -3.863 19.960 1.00 0.00 C
907
+ ATOM 906 C HIS A 119 33.313 -2.527 20.097 1.00 0.00 C
908
+ ATOM 907 CB HIS A 119 35.187 -3.738 18.961 1.00 0.00 C
909
+ ATOM 908 O HIS A 119 32.478 -2.178 19.259 1.00 0.00 O
910
+ ATOM 909 CG HIS A 119 36.137 -2.626 19.278 1.00 0.00 C
911
+ ATOM 910 CD2 HIS A 119 37.257 -2.604 20.038 1.00 0.00 C
912
+ ATOM 911 ND1 HIS A 119 35.976 -1.349 18.787 1.00 0.00 N
913
+ ATOM 912 CE1 HIS A 119 36.960 -0.586 19.234 1.00 0.00 C
914
+ ATOM 913 NE2 HIS A 119 37.750 -1.324 19.995 1.00 0.00 N
915
+ ATOM 914 N PHE A 120 33.605 -1.852 21.162 1.00 0.00 N
916
+ ATOM 915 CA PHE A 120 33.131 -0.486 21.354 1.00 0.00 C
917
+ ATOM 916 C PHE A 120 34.065 0.511 20.678 1.00 0.00 C
918
+ ATOM 917 CB PHE A 120 33.010 -0.162 22.847 1.00 0.00 C
919
+ ATOM 918 O PHE A 120 35.203 0.697 21.113 1.00 0.00 O
920
+ ATOM 919 CG PHE A 120 32.191 1.067 23.136 1.00 0.00 C
921
+ ATOM 920 CD1 PHE A 120 32.734 2.335 22.971 1.00 0.00 C
922
+ ATOM 921 CD2 PHE A 120 30.878 0.953 23.575 1.00 0.00 C
923
+ ATOM 922 CE1 PHE A 120 31.978 3.474 23.240 1.00 0.00 C
924
+ ATOM 923 CE2 PHE A 120 30.117 2.086 23.845 1.00 0.00 C
925
+ ATOM 924 CZ PHE A 120 30.669 3.346 23.677 1.00 0.00 C
926
+ ATOM 925 N ASP A 121 33.560 1.237 19.673 1.00 0.00 N
927
+ ATOM 926 CA ASP A 121 34.451 2.067 18.867 1.00 0.00 C
928
+ ATOM 927 C ASP A 121 34.489 3.501 19.392 1.00 0.00 C
929
+ ATOM 928 CB ASP A 121 34.017 2.055 17.400 1.00 0.00 C
930
+ ATOM 929 O ASP A 121 35.560 4.102 19.496 1.00 0.00 O
931
+ ATOM 930 CG ASP A 121 35.077 2.609 16.464 1.00 0.00 C
932
+ ATOM 931 OD1 ASP A 121 36.175 2.021 16.370 1.00 0.00 O
933
+ ATOM 932 OD2 ASP A 121 34.811 3.644 15.816 1.00 0.00 O
934
+ ATOM 933 N ALA A 122 33.297 4.003 19.697 1.00 0.00 N
935
+ ATOM 934 CA ALA A 122 33.262 5.378 20.187 1.00 0.00 C
936
+ ATOM 935 C ALA A 122 31.881 5.730 20.735 1.00 0.00 C
937
+ ATOM 936 CB ALA A 122 33.653 6.349 19.076 1.00 0.00 C
938
+ ATOM 937 O ALA A 122 30.920 4.983 20.538 1.00 0.00 O
939
+ ATOM 938 N SER A 123 31.823 6.754 21.491 1.00 0.00 N
940
+ ATOM 939 CA SER A 123 30.588 7.458 21.819 1.00 0.00 C
941
+ ATOM 940 C SER A 123 30.607 8.887 21.286 1.00 0.00 C
942
+ ATOM 941 CB SER A 123 30.365 7.473 23.333 1.00 0.00 C
943
+ ATOM 942 O SER A 123 31.640 9.558 21.331 1.00 0.00 O
944
+ ATOM 943 OG SER A 123 31.396 8.194 23.985 1.00 0.00 O
945
+ ATOM 944 N VAL A 124 29.451 9.290 20.680 1.00 0.00 N
946
+ ATOM 945 CA VAL A 124 29.410 10.603 20.046 1.00 0.00 C
947
+ ATOM 946 C VAL A 124 28.123 11.325 20.435 1.00 0.00 C
948
+ ATOM 947 CB VAL A 124 29.516 10.495 18.508 1.00 0.00 C
949
+ ATOM 948 O VAL A 124 27.116 10.687 20.750 1.00 0.00 O
950
+ ATOM 949 CG1 VAL A 124 30.873 9.924 18.099 1.00 0.00 C
951
+ ATOM 950 CG2 VAL A 124 28.382 9.633 17.955 1.00 0.00 C
952
+ ATOM 951 OXT VAL A 124 28.729 12.358 20.246 1.00 0.00 O
953
+ TER 952 VAL A 124
954
+ CONECT 194 642
955
+ CONECT 310 727
956
+ CONECT 446 842
957
+ CONECT 496 547
958
+ CONECT 547 496
959
+ CONECT 642 194
960
+ CONECT 727 310
961
+ CONECT 842 446
962
+ END
1qhc/1qhc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1vkj/1vkj_ligand.mol2 ADDED
@@ -0,0 +1,94 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1vkj_ligand
7
+ 38 40 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 P1 18.9850 85.5140 28.6730 P.3 1 A3P 0.2013
14
+ 2 O1P 19.0000 86.0600 30.0970 O.co2 1 A3P -0.5537
15
+ 3 O2P 19.6970 84.1740 28.6080 O.co2 1 A3P -0.5537
16
+ 4 O3P 17.6240 85.4170 28.0210 O.co2 1 A3P -0.5537
17
+ 5 P2 20.8180 88.6690 22.5970 P.3 1 A3P 0.2008
18
+ 6 O4P 22.1350 89.1370 21.9970 O.co2 1 A3P -0.5537
19
+ 7 O5P 19.7360 89.7240 22.4470 O.co2 1 A3P -0.5537
20
+ 8 O6P 20.3500 87.3010 22.1140 O.co2 1 A3P -0.5537
21
+ 9 O5 21.1260 88.5330 24.2000 O.3 1 A3P -0.2734
22
+ 10 C5 20.0680 88.1380 25.0920 C.3 1 A3P 0.1075
23
+ 11 C4 20.4570 88.4020 26.5140 C.3 1 A3P 0.1229
24
+ 12 O4 20.4640 89.8180 26.7630 O.3 1 A3P -0.3361
25
+ 13 C3 19.5210 87.8500 27.5760 C.3 1 A3P 0.1487
26
+ 14 O3 19.9300 86.5220 27.8410 O.3 1 A3P -0.2674
27
+ 15 C2 19.7730 88.7740 28.7720 C.3 1 A3P 0.1432
28
+ 16 O2 20.6440 88.1730 29.6860 O.3 1 A3P -0.3832
29
+ 17 C1 20.4720 89.9970 28.1510 C.3 1 A3P 0.2013
30
+ 18 N9 19.8770 91.3010 28.4570 N.pl3 1 A3P -0.1919
31
+ 19 C8 20.5720 92.4700 28.6470 C.2 1 A3P 0.1123
32
+ 20 N7 19.8140 93.5010 28.9460 N.2 1 A3P -0.2958
33
+ 21 C5 18.5370 92.9750 28.9510 C.ar 1 A3P 0.1045
34
+ 22 C6 17.2990 93.5530 29.2310 C.ar 1 A3P 0.1298
35
+ 23 N6 17.1690 94.8130 29.6470 N.pl3 1 A3P -0.3152
36
+ 24 N1 16.1910 92.7810 29.0990 N.ar 1 A3P -0.2698
37
+ 25 C2 16.3560 91.4960 28.7640 C.ar 1 A3P 0.0533
38
+ 26 N3 17.4910 90.8140 28.5450 N.ar 1 A3P -0.2714
39
+ 27 C4 18.5550 91.6260 28.6360 C.ar 1 A3P 0.1613
40
+ 28 H1 19.8687 87.0638 24.9644 H 1 A3P 0.0639
41
+ 29 H2 19.1597 88.7104 24.8527 H 1 A3P 0.0639
42
+ 30 H3 21.4619 87.9830 26.6712 H 1 A3P 0.0654
43
+ 31 H4 18.4670 87.8763 27.2622 H 1 A3P 0.0704
44
+ 32 H5 18.8312 89.0520 29.2678 H 1 A3P 0.0680
45
+ 33 H6 20.2619 87.3616 29.9993 H 1 A3P 0.2101
46
+ 34 H7 21.5111 90.0119 28.5117 H 1 A3P 0.0996
47
+ 35 H8 21.6553 92.5368 28.5578 H 1 A3P 0.1349
48
+ 36 H9 16.2333 95.1971 29.8416 H 1 A3P 0.1820
49
+ 37 H10 18.0042 95.4023 29.7737 H 1 A3P 0.1820
50
+ 38 H11 15.4419 90.9239 28.6537 H 1 A3P 0.0996
51
+ @<TRIPOS>BOND
52
+ 1 1 2 ar
53
+ 2 1 3 ar
54
+ 3 1 4 ar
55
+ 4 14 1 1
56
+ 5 5 6 ar
57
+ 6 5 7 ar
58
+ 7 5 8 ar
59
+ 8 9 5 1
60
+ 9 10 9 1
61
+ 10 11 10 1
62
+ 11 11 12 1
63
+ 12 13 11 1
64
+ 13 12 17 1
65
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66
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67
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68
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69
+ 18 17 18 1
70
+ 19 18 19 1
71
+ 20 18 27 1
72
+ 21 19 20 2
73
+ 22 20 21 1
74
+ 23 21 22 ar
75
+ 24 21 27 ar
76
+ 25 22 23 1
77
+ 26 22 24 ar
78
+ 27 24 25 ar
79
+ 28 25 26 ar
80
+ 29 26 27 ar
81
+ 30 10 28 1
82
+ 31 10 29 1
83
+ 32 11 30 1
84
+ 33 13 31 1
85
+ 34 15 32 1
86
+ 35 16 33 1
87
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88
+ 37 19 35 1
89
+ 38 23 36 1
90
+ 39 23 37 1
91
+ 40 25 38 1
92
+ @<TRIPOS>SUBSTRUCTURE
93
+ 1 A3P 1
94
+
1vkj/1vkj_ligand.sdf ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1vkj_ligand
2
+ -I-interpret-
3
+
4
+ 42 44 0 0 0 0 0 0 0 0999 V2000
5
+ 18.9850 85.5140 28.6730 P 0 0 0 0 0
6
+ 19.0000 86.0600 30.0970 O 0 0 0 0 0
7
+ 19.6970 84.1740 28.6080 O 0 0 0 0 0
8
+ 17.6240 85.4170 28.0210 O 0 0 0 0 0
9
+ 20.8180 88.6690 22.5970 P 0 0 0 0 0
10
+ 22.1350 89.1370 21.9970 O 0 0 0 0 0
11
+ 19.7360 89.7240 22.4470 O 0 0 0 0 0
12
+ 20.3500 87.3010 22.1140 O 0 0 0 0 0
13
+ 21.1260 88.5330 24.2000 O 0 0 0 0 0
14
+ 20.0680 88.1380 25.0920 C 0 0 0 0 0
15
+ 20.4570 88.4020 26.5140 C 0 0 0 0 0
16
+ 20.4640 89.8180 26.7630 O 0 0 0 0 0
17
+ 19.5210 87.8500 27.5760 C 0 0 0 0 0
18
+ 19.9300 86.5220 27.8410 O 0 0 0 0 0
19
+ 19.7730 88.7740 28.7720 C 0 0 0 0 0
20
+ 20.6440 88.1730 29.6860 O 0 0 0 0 0
21
+ 20.4720 89.9970 28.1510 C 0 0 0 0 0
22
+ 19.8770 91.3010 28.4570 N 0 0 0 0 0
23
+ 20.5720 92.4700 28.6470 C 0 0 0 0 0
24
+ 19.8140 93.5010 28.9460 N 0 0 0 0 0
25
+ 18.5370 92.9750 28.9510 C 0 0 0 0 0
26
+ 17.2990 93.5530 29.2310 C 0 0 0 0 0
27
+ 17.1690 94.8130 29.6470 N 0 0 0 0 0
28
+ 16.1910 92.7810 29.0990 N 0 0 0 0 0
29
+ 16.3560 91.4960 28.7640 C 0 0 0 0 0
30
+ 17.4910 90.8140 28.5450 N 0 0 0 0 0
31
+ 18.5550 91.6260 28.6360 C 0 0 0 0 0
32
+ 19.9036 86.0823 30.4205 H 0 0 0 0 0
33
+ 20.5584 84.2500 29.0249 H 0 0 0 0 0
34
+ 22.7972 88.4507 22.1069 H 0 0 0 0 0
35
+ 21.0594 86.6638 22.2249 H 0 0 0 0 0
36
+ 19.8791 87.0717 24.9680 H 0 0 0 0 0
37
+ 19.1724 88.7130 24.8567 H 0 0 0 0 0
38
+ 21.4245 87.9073 26.5999 H 0 0 0 0 0
39
+ 18.4642 87.8228 27.3103 H 0 0 0 0 0
40
+ 18.8538 89.0142 29.3062 H 0 0 0 0 0
41
+ 20.7887 88.7667 30.4264 H 0 0 0 0 0
42
+ 21.4697 90.0346 28.5884 H 0 0 0 0 0
43
+ 21.6563 92.5368 28.5577 H 0 0 0 0 0
44
+ 17.9961 95.3965 29.7725 H 0 0 0 0 0
45
+ 16.2424 95.1934 29.8397 H 0 0 0 0 0
46
+ 15.4368 90.9207 28.6531 H 0 0 0 0 0
47
+ 1 2 1 0 0 0
48
+ 1 3 1 0 0 0
49
+ 1 4 2 0 0 0
50
+ 14 1 1 0 0 0
51
+ 5 6 1 0 0 0
52
+ 5 7 2 0 0 0
53
+ 5 8 1 0 0 0
54
+ 9 5 1 0 0 0
55
+ 10 9 1 0 0 0
56
+ 11 10 1 0 0 0
57
+ 11 12 1 0 0 0
58
+ 13 11 1 0 0 0
59
+ 12 17 1 0 0 0
60
+ 13 14 1 0 0 0
61
+ 13 15 1 0 0 0
62
+ 15 16 1 0 0 0
63
+ 15 17 1 0 0 0
64
+ 17 18 1 0 0 0
65
+ 18 19 4 0 0 0
66
+ 18 27 4 0 0 0
67
+ 19 20 4 0 0 0
68
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+ $$$$
2bdl/2bdl_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2bdl/2bdl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2bgd/2bgd_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
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+ ###
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2bgd/2bgd_ligand.sdf ADDED
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+ $$$$
2bgd/2bgd_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2bgd/2bgd_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gz8/2gz8_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:54 2018
3
+ ###
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+
5
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2gz8/2gz8_ligand.sdf ADDED
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40
+ 3 4 4 0 0 0
41
+ 4 5 4 0 0 0
42
+ 5 6 4 0 0 0
43
+ 6 7 1 0 0 0
44
+ 7 8 3 0 0 0
45
+ 8 9 1 0 0 0
46
+ 9 10 4 0 0 0
47
+ 9 11 4 0 0 0
48
+ 10 13 4 0 0 0
49
+ 11 12 4 0 0 0
50
+ 12 13 4 0 0 0
51
+ 13 14 1 0 0 0
52
+ 14 15 2 0 0 0
53
+ 14 16 1 0 0 0
54
+ 16 17 1 0 0 0
55
+ 17 18 4 0 0 0
56
+ 17 25 4 0 0 0
57
+ 18 19 4 0 0 0
58
+ 19 20 1 0 0 0
59
+ 19 24 4 0 0 0
60
+ 20 21 1 0 0 0
61
+ 20 22 1 0 0 0
62
+ 20 23 1 0 0 0
63
+ 24 25 4 0 0 0
64
+ 1 26 1 0 0 0
65
+ 2 27 1 0 0 0
66
+ 3 28 1 0 0 0
67
+ 4 29 1 0 0 0
68
+ 5 30 1 0 0 0
69
+ 11 31 1 0 0 0
70
+ 12 32 1 0 0 0
71
+ M END
72
+ $$$$