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114a369
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1 Parent(s): 09a4c03

Add batch 165

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Files changed (50) hide show
  1. 186l/186l_ligand.mol2 +64 -0
  2. 186l/186l_ligand.sdf +54 -0
  3. 186l/186l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 186l/186l_protein_processed_fix.pdb +0 -0
  5. 1cr6/1cr6_ligand.mol2 +103 -0
  6. 1cr6/1cr6_ligand.sdf +93 -0
  7. 1cr6/1cr6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1cr6/1cr6_protein_processed_fix.pdb +0 -0
  9. 1izi/1izi_ligand.mol2 +216 -0
  10. 1izi/1izi_ligand.sdf +206 -0
  11. 1izi/1izi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1izi/1izi_protein_processed_fix.pdb +0 -0
  13. 1m7d/1m7d_ligand.mol2 +162 -0
  14. 1m7d/1m7d_ligand.sdf +152 -0
  15. 1m7d/1m7d_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1m7d/1m7d_protein_processed_fix.pdb +0 -0
  17. 1o38/1o38_ligand.mol2 +121 -0
  18. 1o38/1o38_ligand.sdf +107 -0
  19. 1o38/1o38_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1o38/1o38_protein_processed_fix.pdb +0 -0
  21. 1o41/1o41_ligand.mol2 +64 -0
  22. 1o41/1o41_ligand.sdf +58 -0
  23. 1o41/1o41_protein_esmfold_aligned_tr_fix.pdb +857 -0
  24. 1o41/1o41_protein_processed_fix.pdb +0 -0
  25. 1uz4/1uz4_ligand.mol2 +60 -0
  26. 1uz4/1uz4_ligand.sdf +50 -0
  27. 1uz4/1uz4_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1uz4/1uz4_protein_processed_fix.pdb +0 -0
  29. 1y2j/1y2j_ligand.mol2 +89 -0
  30. 1y2j/1y2j_ligand.sdf +79 -0
  31. 1y2j/1y2j_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1y2j/1y2j_protein_processed_fix.pdb +0 -0
  33. 1yw2/1yw2_ligand.mol2 +117 -0
  34. 1yw2/1yw2_ligand.sdf +107 -0
  35. 1yw2/1yw2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1yw2/1yw2_protein_processed_fix.pdb +0 -0
  37. 2asu/2asu_ligand.mol2 +127 -0
  38. 2asu/2asu_ligand.sdf +115 -0
  39. 2asu/2asu_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2asu/2asu_protein_processed_fix.pdb +0 -0
  41. 2cf9/2cf9_ligand.mol2 +158 -0
  42. 2cf9/2cf9_ligand.sdf +146 -0
  43. 2cf9/2cf9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2cf9/2cf9_protein_processed_fix.pdb +0 -0
  45. 2gg9/2gg9_ligand.mol2 +148 -0
  46. 2gg9/2gg9_ligand.sdf +138 -0
  47. 2gg9/2gg9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2gg9/2gg9_protein_processed_fix.pdb +0 -0
  49. 2oji/2oji_ligand.mol2 +107 -0
  50. 2oji/2oji_ligand.sdf +93 -0
186l/186l_ligand.mol2 ADDED
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186l/186l_ligand.sdf ADDED
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186l/186l_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
186l/186l_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cr6/1cr6_ligand.mol2 ADDED
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1cr6/1cr6_ligand.sdf ADDED
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+ $$$$
1cr6/1cr6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cr6/1cr6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1izi/1izi_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
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+ 1izi_ligand
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+ 99 101 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+ ATOM 68 CG TYR A 8 4.184 21.216 12.124 1.00 93.40 C
69
+ ATOM 69 CZ TYR A 8 5.420 22.915 10.287 1.00 89.74 C
70
+ ATOM 70 N TYR A 8 2.886 19.882 15.457 1.00 95.11 N
71
+ ATOM 71 O TYR A 8 1.799 22.399 14.298 1.00 93.59 O
72
+ ATOM 72 OH TYR A 8 6.031 23.754 9.382 1.00 83.46 O
73
+ ATOM 73 C PHE A 9 3.696 25.490 14.251 1.00 92.90 C
74
+ ATOM 74 CA PHE A 9 3.229 24.519 15.328 1.00 93.94 C
75
+ ATOM 75 CB PHE A 9 3.677 25.010 16.709 1.00 93.57 C
76
+ ATOM 76 CD1 PHE A 9 2.179 25.410 18.690 1.00 90.80 C
77
+ ATOM 77 CD2 PHE A 9 2.642 23.153 18.050 1.00 90.52 C
78
+ ATOM 78 CE1 PHE A 9 1.381 24.954 19.736 1.00 90.18 C
79
+ ATOM 79 CE2 PHE A 9 1.846 22.690 19.093 1.00 90.64 C
80
+ ATOM 80 CG PHE A 9 2.815 24.515 17.839 1.00 92.96 C
81
+ ATOM 81 CZ PHE A 9 1.217 23.592 19.936 1.00 89.86 C
82
+ ATOM 82 N PHE A 9 3.738 23.177 15.073 1.00 94.07 N
83
+ ATOM 83 O PHE A 9 3.343 26.671 14.277 1.00 90.99 O
84
+ ATOM 84 C GLY A 10 5.861 26.911 12.628 1.00 92.92 C
85
+ ATOM 85 CA GLY A 10 4.931 25.788 12.214 1.00 92.96 C
86
+ ATOM 86 N GLY A 10 4.489 24.969 13.332 1.00 93.21 N
87
+ ATOM 87 O GLY A 10 6.835 26.684 13.349 1.00 91.80 O
88
+ ATOM 88 C LYS A 11 6.079 30.039 13.629 1.00 91.59 C
89
+ ATOM 89 CA LYS A 11 6.439 29.295 12.346 1.00 92.09 C
90
+ ATOM 90 CB LYS A 11 6.389 30.252 11.154 1.00 90.46 C
91
+ ATOM 91 CD LYS A 11 6.923 30.683 8.732 1.00 79.77 C
92
+ ATOM 92 CE LYS A 11 7.445 30.086 7.432 1.00 73.45 C
93
+ ATOM 93 CG LYS A 11 6.964 29.671 9.870 1.00 84.14 C
94
+ ATOM 94 N LYS A 11 5.548 28.159 12.129 1.00 92.20 N
95
+ ATOM 95 NZ LYS A 11 7.361 31.059 6.303 1.00 63.07 N
96
+ ATOM 96 O LYS A 11 5.307 30.999 13.601 1.00 89.78 O
97
+ ATOM 97 C ILE A 12 7.633 30.516 16.575 1.00 92.69 C
98
+ ATOM 98 CA ILE A 12 6.246 30.279 15.982 1.00 92.74 C
99
+ ATOM 99 CB ILE A 12 5.346 29.545 17.001 1.00 91.92 C
100
+ ATOM 100 CD1 ILE A 12 5.418 27.648 18.722 1.00 85.36 C
101
+ ATOM 101 CG1 ILE A 12 5.997 28.228 17.438 1.00 89.02 C
102
+ ATOM 102 CG2 ILE A 12 3.953 29.299 16.412 1.00 88.88 C
103
+ ATOM 103 N ILE A 12 6.364 29.528 14.737 1.00 92.83 N
104
+ ATOM 104 O ILE A 12 8.549 29.717 16.366 1.00 91.77 O
105
+ ATOM 105 C THR A 13 9.425 31.146 19.063 1.00 92.81 C
106
+ ATOM 106 CA THR A 13 9.099 32.010 17.847 1.00 92.43 C
107
+ ATOM 107 CB THR A 13 9.120 33.496 18.249 1.00 91.32 C
108
+ ATOM 108 CG2 THR A 13 8.731 34.389 17.076 1.00 85.06 C
109
+ ATOM 109 N THR A 13 7.810 31.635 17.277 1.00 92.27 N
110
+ ATOM 110 O THR A 13 8.532 30.536 19.654 1.00 92.35 O
111
+ ATOM 111 OG1 THR A 13 8.196 33.708 19.324 1.00 85.72 O
112
+ ATOM 112 C ARG A 14 10.417 31.000 21.753 1.00 92.34 C
113
+ ATOM 113 CA ARG A 14 11.152 30.461 20.532 1.00 92.50 C
114
+ ATOM 114 CB ARG A 14 12.661 30.648 20.704 1.00 91.16 C
115
+ ATOM 115 CD ARG A 14 14.734 30.155 22.047 1.00 82.90 C
116
+ ATOM 116 CG ARG A 14 13.222 30.002 21.961 1.00 85.48 C
117
+ ATOM 117 CZ ARG A 14 16.144 28.559 23.304 1.00 75.41 C
118
+ ATOM 118 N ARG A 14 10.690 31.113 19.311 1.00 92.44 N
119
+ ATOM 119 NE ARG A 14 15.268 29.559 23.269 1.00 79.14 N
120
+ ATOM 120 NH1 ARG A 14 16.605 28.020 22.181 1.00 66.66 N
121
+ ATOM 121 NH2 ARG A 14 16.563 28.094 24.471 1.00 64.94 N
122
+ ATOM 122 O ARG A 14 9.968 30.228 22.604 1.00 91.51 O
123
+ ATOM 123 C ARG A 15 8.149 32.503 23.112 1.00 92.68 C
124
+ ATOM 124 CA ARG A 15 9.615 32.911 23.011 1.00 92.43 C
125
+ ATOM 125 CB ARG A 15 9.730 34.432 22.895 1.00 90.72 C
126
+ ATOM 126 CD ARG A 15 9.430 36.685 23.979 1.00 76.04 C
127
+ ATOM 127 CG ARG A 15 9.245 35.181 24.127 1.00 80.65 C
128
+ ATOM 128 CZ ARG A 15 9.024 38.721 25.324 1.00 66.28 C
129
+ ATOM 129 N ARG A 15 10.264 32.259 21.878 1.00 92.45 N
130
+ ATOM 130 NE ARG A 15 8.930 37.406 25.148 1.00 70.24 N
131
+ ATOM 131 NH1 ARG A 15 9.604 39.488 24.407 1.00 53.08 N
132
+ ATOM 132 NH2 ARG A 15 8.535 39.274 26.424 1.00 48.32 N
133
+ ATOM 133 O ARG A 15 7.640 32.260 24.207 1.00 91.98 O
134
+ ATOM 134 C GLU A 16 5.892 30.627 22.396 1.00 93.19 C
135
+ ATOM 135 CA GLU A 16 6.030 32.093 21.996 1.00 92.82 C
136
+ ATOM 136 CB GLU A 16 5.401 32.323 20.619 1.00 91.23 C
137
+ ATOM 137 CD GLU A 16 3.056 32.705 21.519 1.00 75.89 C
138
+ ATOM 138 CG GLU A 16 3.932 31.937 20.541 1.00 81.51 C
139
+ ATOM 139 N GLU A 16 7.428 32.511 21.998 1.00 92.89 N
140
+ ATOM 140 O GLU A 16 4.977 30.264 23.138 1.00 92.54 O
141
+ ATOM 141 OE1 GLU A 16 3.553 33.662 22.155 1.00 71.01 O
142
+ ATOM 142 OE2 GLU A 16 1.865 32.346 21.651 1.00 68.99 O
143
+ ATOM 143 C SER A 17 7.006 28.253 23.810 1.00 93.59 C
144
+ ATOM 144 CA SER A 17 6.814 28.406 22.306 1.00 93.84 C
145
+ ATOM 145 CB SER A 17 7.889 27.612 21.563 1.00 92.99 C
146
+ ATOM 146 N SER A 17 6.849 29.810 21.907 1.00 93.68 N
147
+ ATOM 147 O SER A 17 6.337 27.436 24.447 1.00 92.76 O
148
+ ATOM 148 OG SER A 17 9.184 27.979 22.009 1.00 83.23 O
149
+ ATOM 149 C GLU A 18 6.847 29.389 26.588 1.00 92.19 C
150
+ ATOM 150 CA GLU A 18 8.090 28.946 25.821 1.00 92.67 C
151
+ ATOM 151 CB GLU A 18 9.286 29.820 26.207 1.00 91.82 C
152
+ ATOM 152 CD GLU A 18 11.792 30.197 26.029 1.00 86.95 C
153
+ ATOM 153 CG GLU A 18 10.629 29.250 25.774 1.00 88.89 C
154
+ ATOM 154 N GLU A 18 7.864 28.992 24.379 1.00 92.77 N
155
+ ATOM 155 O GLU A 18 6.477 28.773 27.590 1.00 91.14 O
156
+ ATOM 156 OE1 GLU A 18 11.553 31.359 26.429 1.00 84.96 O
157
+ ATOM 157 OE2 GLU A 18 12.951 29.773 25.825 1.00 84.89 O
158
+ ATOM 158 C ARG A 19 3.953 29.826 26.835 1.00 91.52 C
159
+ ATOM 159 CA ARG A 19 5.018 30.917 26.788 1.00 91.53 C
160
+ ATOM 160 CB ARG A 19 4.474 32.149 26.062 1.00 90.27 C
161
+ ATOM 161 CD ARG A 19 2.712 33.946 25.946 1.00 79.29 C
162
+ ATOM 162 CG ARG A 19 3.324 32.833 26.786 1.00 83.74 C
163
+ ATOM 163 CZ ARG A 19 0.829 32.894 24.737 1.00 70.36 C
164
+ ATOM 164 N ARG A 19 6.234 30.436 26.141 1.00 91.86 N
165
+ ATOM 165 NE ARG A 19 2.050 33.421 24.755 1.00 73.24 N
166
+ ATOM 166 NH1 ARG A 19 0.111 32.809 25.851 1.00 54.77 N
167
+ ATOM 167 NH2 ARG A 19 0.323 32.446 23.597 1.00 50.28 N
168
+ ATOM 168 O ARG A 19 3.290 29.642 27.857 1.00 90.54 O
169
+ ATOM 169 C LEU A 20 3.183 26.829 26.598 1.00 92.33 C
170
+ ATOM 170 CA LEU A 20 2.785 28.015 25.726 1.00 92.39 C
171
+ ATOM 171 CB LEU A 20 2.598 27.558 24.276 1.00 91.78 C
172
+ ATOM 172 CD1 LEU A 20 2.058 28.076 21.884 1.00 87.10 C
173
+ ATOM 173 CD2 LEU A 20 0.510 28.833 23.709 1.00 86.83 C
174
+ ATOM 174 CG LEU A 20 1.963 28.572 23.323 1.00 89.83 C
175
+ ATOM 175 N LEU A 20 3.783 29.076 25.803 1.00 92.38 N
176
+ ATOM 176 O LEU A 20 2.346 26.265 27.306 1.00 91.58 O
177
+ ATOM 177 C LEU A 21 5.044 25.497 28.759 1.00 91.89 C
178
+ ATOM 178 CA LEU A 21 4.905 25.288 27.256 1.00 92.82 C
179
+ ATOM 179 CB LEU A 21 6.244 24.837 26.666 1.00 92.50 C
180
+ ATOM 180 CD1 LEU A 21 7.586 24.099 24.680 1.00 90.87 C
181
+ ATOM 181 CD2 LEU A 21 5.571 22.783 25.390 1.00 90.61 C
182
+ ATOM 182 CG LEU A 21 6.189 24.173 25.289 1.00 92.32 C
183
+ ATOM 183 N LEU A 21 4.444 26.508 26.601 1.00 92.77 N
184
+ ATOM 184 O LEU A 21 4.982 24.537 29.532 1.00 90.34 O
185
+ ATOM 185 C LEU A 22 4.140 27.210 31.316 1.00 88.51 C
186
+ ATOM 186 CA LEU A 22 5.471 27.021 30.598 1.00 89.73 C
187
+ ATOM 187 CB LEU A 22 6.342 28.266 30.776 1.00 88.68 C
188
+ ATOM 188 CD1 LEU A 22 8.520 29.475 30.476 1.00 82.98 C
189
+ ATOM 189 CD2 LEU A 22 8.505 27.100 31.291 1.00 82.68 C
190
+ ATOM 190 CG LEU A 22 7.817 28.123 30.393 1.00 86.57 C
191
+ ATOM 191 N LEU A 22 5.263 26.741 29.181 1.00 90.44 N
192
+ ATOM 192 O LEU A 22 4.112 27.517 32.510 1.00 85.81 O
193
+ ATOM 193 C ASN A 23 1.780 25.882 32.414 1.00 86.64 C
194
+ ATOM 194 CA ASN A 23 1.794 26.945 31.319 1.00 86.66 C
195
+ ATOM 195 CB ASN A 23 0.649 26.707 30.334 1.00 84.81 C
196
+ ATOM 196 CG ASN A 23 -0.716 26.879 30.972 1.00 77.86 C
197
+ ATOM 197 N ASN A 23 3.074 26.975 30.619 1.00 87.67 N
198
+ ATOM 198 ND2 ASN A 23 -1.699 27.277 30.173 1.00 69.75 N
199
+ ATOM 199 O ASN A 23 2.147 24.732 32.173 1.00 84.43 O
200
+ ATOM 200 OD1 ASN A 23 -0.885 26.656 32.174 1.00 71.65 O
201
+ ATOM 201 C ALA A 24 0.737 24.106 34.665 1.00 81.79 C
202
+ ATOM 202 CA ALA A 24 1.554 25.383 34.842 1.00 81.13 C
203
+ ATOM 203 CB ALA A 24 1.088 26.144 36.081 1.00 76.17 C
204
+ ATOM 204 N ALA A 24 1.461 26.233 33.657 1.00 81.25 N
205
+ ATOM 205 O ALA A 24 1.028 23.085 35.293 1.00 78.71 O
206
+ ATOM 206 C GLU A 25 -0.368 21.835 32.812 1.00 85.58 C
207
+ ATOM 207 CA GLU A 25 -1.041 22.886 33.691 1.00 84.22 C
208
+ ATOM 208 CB GLU A 25 -2.384 23.298 33.084 1.00 80.56 C
209
+ ATOM 209 CD GLU A 25 -4.600 24.491 33.426 1.00 68.90 C
210
+ ATOM 210 CG GLU A 25 -3.226 24.180 33.995 1.00 72.18 C
211
+ ATOM 211 N GLU A 25 -0.181 24.052 33.872 1.00 84.20 N
212
+ ATOM 212 O GLU A 25 -0.814 20.687 32.757 1.00 83.66 O
213
+ ATOM 213 OE1 GLU A 25 -4.840 24.209 32.230 1.00 66.64 O
214
+ ATOM 214 OE2 GLU A 25 -5.445 25.022 34.182 1.00 62.00 O
215
+ ATOM 215 C ASN A 26 2.332 20.381 32.112 1.00 86.73 C
216
+ ATOM 216 CA ASN A 26 1.415 21.307 31.319 1.00 87.54 C
217
+ ATOM 217 CB ASN A 26 2.207 22.037 30.233 1.00 86.35 C
218
+ ATOM 218 CG ASN A 26 1.314 22.677 29.188 1.00 85.68 C
219
+ ATOM 219 N ASN A 26 0.736 22.262 32.189 1.00 87.06 N
220
+ ATOM 220 ND2 ASN A 26 1.835 23.685 28.500 1.00 84.98 N
221
+ ATOM 221 O ASN A 26 3.184 20.845 32.872 1.00 84.44 O
222
+ ATOM 222 OD1 ASN A 26 0.165 22.268 29.001 1.00 84.86 O
223
+ ATOM 223 C PRO A 27 4.360 18.214 32.033 1.00 89.49 C
224
+ ATOM 224 CA PRO A 27 2.970 18.191 32.664 1.00 89.06 C
225
+ ATOM 225 CB PRO A 27 2.308 16.823 32.476 1.00 87.85 C
226
+ ATOM 226 CD PRO A 27 1.048 18.338 31.051 1.00 84.81 C
227
+ ATOM 227 CG PRO A 27 1.562 16.933 31.185 1.00 85.25 C
228
+ ATOM 228 N PRO A 27 2.036 19.110 32.009 1.00 88.84 N
229
+ ATOM 229 O PRO A 27 4.531 18.729 30.925 1.00 88.88 O
230
+ ATOM 230 C ARG A 28 6.559 16.619 31.038 1.00 91.12 C
231
+ ATOM 231 CA ARG A 28 6.602 17.497 32.284 1.00 90.37 C
232
+ ATOM 232 CB ARG A 28 7.474 16.841 33.357 1.00 88.82 C
233
+ ATOM 233 CD ARG A 28 9.776 16.154 34.115 1.00 80.30 C
234
+ ATOM 234 CG ARG A 28 8.952 16.791 33.003 1.00 82.92 C
235
+ ATOM 235 CZ ARG A 28 12.127 15.462 34.445 1.00 72.79 C
236
+ ATOM 236 N ARG A 28 5.258 17.745 32.796 1.00 90.02 N
237
+ ATOM 237 NE ARG A 28 11.203 16.175 33.805 1.00 75.19 N
238
+ ATOM 238 NH1 ARG A 28 11.789 14.658 35.447 1.00 61.86 N
239
+ ATOM 239 NH2 ARG A 28 13.398 15.556 34.082 1.00 58.91 N
240
+ ATOM 240 O ARG A 28 5.790 15.657 30.976 1.00 90.63 O
241
+ ATOM 241 C GLY A 29 6.426 16.827 27.688 1.00 93.38 C
242
+ ATOM 242 CA GLY A 29 7.399 16.313 28.732 1.00 93.01 C
243
+ ATOM 243 N GLY A 29 7.364 17.076 29.970 1.00 92.43 N
244
+ ATOM 244 O GLY A 29 6.331 16.269 26.593 1.00 92.93 O
245
+ ATOM 245 C THR A 30 5.729 19.141 25.929 1.00 94.81 C
246
+ ATOM 246 CA THR A 30 4.845 18.551 27.024 1.00 94.50 C
247
+ ATOM 247 CB THR A 30 3.975 19.663 27.638 1.00 93.68 C
248
+ ATOM 248 CG2 THR A 30 3.108 20.332 26.576 1.00 90.13 C
249
+ ATOM 249 N THR A 30 5.655 17.890 28.042 1.00 94.21 N
250
+ ATOM 250 O THR A 30 6.764 19.746 26.218 1.00 94.61 O
251
+ ATOM 251 OG1 THR A 30 3.126 19.096 28.645 1.00 89.03 O
252
+ ATOM 252 C PHE A 31 5.572 19.879 22.402 1.00 95.70 C
253
+ ATOM 253 CA PHE A 31 6.288 19.318 23.623 1.00 95.79 C
254
+ ATOM 254 CB PHE A 31 7.115 18.090 23.228 1.00 95.60 C
255
+ ATOM 255 CD1 PHE A 31 5.560 16.114 23.137 1.00 94.32 C
256
+ ATOM 256 CD2 PHE A 31 6.378 17.015 21.079 1.00 94.05 C
257
+ ATOM 257 CE1 PHE A 31 4.837 15.152 22.435 1.00 93.52 C
258
+ ATOM 258 CE2 PHE A 31 5.660 16.058 20.370 1.00 93.70 C
259
+ ATOM 259 CG PHE A 31 6.335 17.052 22.467 1.00 95.18 C
260
+ ATOM 260 CZ PHE A 31 4.890 15.126 21.049 1.00 93.00 C
261
+ ATOM 261 N PHE A 31 5.334 18.978 24.673 1.00 95.58 N
262
+ ATOM 262 O PHE A 31 4.359 19.710 22.254 1.00 95.41 O
263
+ ATOM 263 C LEU A 32 7.040 20.949 19.235 1.00 95.65 C
264
+ ATOM 264 CA LEU A 32 5.842 20.866 20.176 1.00 95.65 C
265
+ ATOM 265 CB LEU A 32 5.124 22.217 20.230 1.00 95.12 C
266
+ ATOM 266 CD1 LEU A 32 6.865 23.950 19.725 1.00 87.49 C
267
+ ATOM 267 CD2 LEU A 32 4.996 24.476 21.315 1.00 87.05 C
268
+ ATOM 268 CG LEU A 32 5.929 23.390 20.791 1.00 92.72 C
269
+ ATOM 269 N LEU A 32 6.258 20.454 21.512 1.00 95.56 N
270
+ ATOM 270 O LEU A 32 8.185 21.006 19.686 1.00 95.34 O
271
+ ATOM 271 C VAL A 33 7.519 22.297 16.153 1.00 95.47 C
272
+ ATOM 272 CA VAL A 33 7.801 21.023 16.947 1.00 95.77 C
273
+ ATOM 273 CB VAL A 33 7.836 19.802 16.002 1.00 95.29 C
274
+ ATOM 274 CG1 VAL A 33 8.796 20.046 14.839 1.00 92.94 C
275
+ ATOM 275 CG2 VAL A 33 8.233 18.544 16.771 1.00 92.62 C
276
+ ATOM 276 N VAL A 33 6.798 20.863 17.994 1.00 95.78 N
277
+ ATOM 277 O VAL A 33 6.380 22.547 15.754 1.00 94.82 O
278
+ ATOM 278 C ARG A 34 9.509 24.497 14.199 1.00 94.29 C
279
+ ATOM 279 CA ARG A 34 8.397 24.329 15.228 1.00 94.52 C
280
+ ATOM 280 CB ARG A 34 8.405 25.506 16.205 1.00 93.97 C
281
+ ATOM 281 CD ARG A 34 9.541 26.685 18.119 1.00 91.03 C
282
+ ATOM 282 CG ARG A 34 9.627 25.552 17.106 1.00 92.69 C
283
+ ATOM 283 CZ ARG A 34 11.906 27.163 18.657 1.00 87.69 C
284
+ ATOM 284 N ARG A 34 8.534 23.066 15.946 1.00 94.56 N
285
+ ATOM 285 NE ARG A 34 10.704 26.710 19.000 1.00 89.32 N
286
+ ATOM 286 NH1 ARG A 34 12.129 27.640 17.437 1.00 80.49 N
287
+ ATOM 287 NH2 ARG A 34 12.895 27.139 19.538 1.00 79.93 N
288
+ ATOM 288 O ARG A 34 10.507 23.773 14.231 1.00 93.63 O
289
+ ATOM 289 C GLU A 35 11.450 26.665 13.093 1.00 93.03 C
290
+ ATOM 290 CA GLU A 35 10.395 25.818 12.386 1.00 93.43 C
291
+ ATOM 291 CB GLU A 35 9.828 26.579 11.185 1.00 92.37 C
292
+ ATOM 292 CD GLU A 35 8.348 26.514 9.121 1.00 85.24 C
293
+ ATOM 293 CG GLU A 35 8.918 25.740 10.300 1.00 88.10 C
294
+ ATOM 294 N GLU A 35 9.326 25.433 13.303 1.00 93.56 N
295
+ ATOM 295 O GLU A 35 11.122 27.475 13.962 1.00 92.02 O
296
+ ATOM 296 OE1 GLU A 35 8.987 27.492 8.671 1.00 82.33 O
297
+ ATOM 297 OE2 GLU A 35 7.253 26.139 8.645 1.00 82.10 O
298
+ ATOM 298 C SER A 36 13.718 28.594 12.842 1.00 89.81 C
299
+ ATOM 299 CA SER A 36 13.761 27.150 13.331 1.00 90.32 C
300
+ ATOM 300 CB SER A 36 15.115 26.527 12.987 1.00 89.20 C
301
+ ATOM 301 N SER A 36 12.675 26.363 12.755 1.00 90.64 N
302
+ ATOM 302 O SER A 36 13.490 28.846 11.657 1.00 88.41 O
303
+ ATOM 303 OG SER A 36 16.177 27.345 13.448 1.00 85.05 O
304
+ ATOM 304 C GLU A 37 15.384 31.238 12.759 1.00 86.89 C
305
+ ATOM 305 CA GLU A 37 14.044 30.885 13.400 1.00 87.94 C
306
+ ATOM 306 CB GLU A 37 13.789 31.782 14.614 1.00 86.26 C
307
+ ATOM 307 CD GLU A 37 12.183 32.459 16.463 1.00 79.39 C
308
+ ATOM 308 CG GLU A 37 12.385 31.654 15.188 1.00 81.29 C
309
+ ATOM 309 N GLU A 37 13.997 29.477 13.784 1.00 88.70 N
310
+ ATOM 310 O GLU A 37 15.455 32.129 11.910 1.00 84.43 O
311
+ ATOM 311 OE1 GLU A 37 12.547 31.967 17.554 1.00 75.53 O
312
+ ATOM 312 OE2 GLU A 37 11.655 33.590 16.367 1.00 75.12 O
313
+ ATOM 313 C THR A 38 18.255 30.153 11.552 1.00 85.65 C
314
+ ATOM 314 CA THR A 38 17.715 30.955 12.732 1.00 86.55 C
315
+ ATOM 315 CB THR A 38 18.679 30.826 13.927 1.00 84.90 C
316
+ ATOM 316 CG2 THR A 38 18.263 31.747 15.071 1.00 76.48 C
317
+ ATOM 317 N THR A 38 16.371 30.514 13.087 1.00 87.42 N
318
+ ATOM 318 O THR A 38 19.201 30.578 10.886 1.00 83.17 O
319
+ ATOM 319 OG1 THR A 38 18.674 29.471 14.393 1.00 78.54 O
320
+ ATOM 320 C THR A 39 16.984 27.748 9.370 1.00 85.07 C
321
+ ATOM 321 CA THR A 39 18.136 28.100 10.307 1.00 85.26 C
322
+ ATOM 322 CB THR A 39 18.756 26.808 10.871 1.00 83.86 C
323
+ ATOM 323 CG2 THR A 39 19.396 25.976 9.765 1.00 79.15 C
324
+ ATOM 324 N THR A 39 17.682 28.979 11.377 1.00 85.62 N
325
+ ATOM 325 O THR A 39 16.031 27.081 9.774 1.00 83.49 O
326
+ ATOM 326 OG1 THR A 39 19.756 27.146 11.838 1.00 78.25 O
327
+ ATOM 327 C LYS A 40 15.950 26.471 6.892 1.00 83.98 C
328
+ ATOM 328 CA LYS A 40 16.054 27.965 7.188 1.00 84.13 C
329
+ ATOM 329 CB LYS A 40 16.345 28.736 5.899 1.00 81.85 C
330
+ ATOM 330 CD LYS A 40 15.529 29.537 3.656 1.00 73.87 C
331
+ ATOM 331 CE LYS A 40 14.412 29.466 2.624 1.00 65.28 C
332
+ ATOM 332 CG LYS A 40 15.215 28.686 4.880 1.00 76.40 C
333
+ ATOM 333 N LYS A 40 17.083 28.232 8.188 1.00 84.44 N
334
+ ATOM 334 NZ LYS A 40 14.711 30.304 1.424 1.00 60.97 N
335
+ ATOM 335 O LYS A 40 16.958 25.814 6.627 1.00 82.00 O
336
+ ATOM 336 C GLY A 41 14.672 23.724 7.783 1.00 83.87 C
337
+ ATOM 337 CA GLY A 41 14.461 24.672 6.618 1.00 83.53 C
338
+ ATOM 338 N GLY A 41 14.706 26.063 6.962 1.00 83.69 N
339
+ ATOM 339 O GLY A 41 14.399 22.526 7.672 1.00 82.40 O
340
+ ATOM 340 C ALA A 42 14.299 23.455 11.014 1.00 89.61 C
341
+ ATOM 341 CA ALA A 42 15.492 23.360 10.066 1.00 88.39 C
342
+ ATOM 342 CB ALA A 42 16.773 23.773 10.786 1.00 86.82 C
343
+ ATOM 343 N ALA A 42 15.286 24.184 8.878 1.00 88.21 N
344
+ ATOM 344 O ALA A 42 13.487 24.377 10.907 1.00 89.40 O
345
+ ATOM 345 C TYR A 43 13.665 22.466 14.266 1.00 93.55 C
346
+ ATOM 346 CA TYR A 43 13.080 22.496 12.859 1.00 93.54 C
347
+ ATOM 347 CB TYR A 43 12.176 21.278 12.643 1.00 92.93 C
348
+ ATOM 348 CD1 TYR A 43 10.305 21.908 11.068 1.00 88.94 C
349
+ ATOM 349 CD2 TYR A 43 12.088 20.560 10.226 1.00 88.86 C
350
+ ATOM 350 CE1 TYR A 43 9.687 21.881 9.822 1.00 88.95 C
351
+ ATOM 351 CE2 TYR A 43 11.480 20.527 8.976 1.00 89.11 C
352
+ ATOM 352 CG TYR A 43 11.512 21.249 11.288 1.00 91.51 C
353
+ ATOM 353 CZ TYR A 43 10.281 21.190 8.783 1.00 88.16 C
354
+ ATOM 354 N TYR A 43 14.137 22.533 11.855 1.00 93.15 N
355
+ ATOM 355 O TYR A 43 14.850 22.175 14.446 1.00 93.09 O
356
+ ATOM 356 OH TYR A 43 9.675 21.160 7.548 1.00 84.75 O
357
+ ATOM 357 C CYS A 44 12.179 21.916 17.419 1.00 95.12 C
358
+ ATOM 358 CA CYS A 44 13.233 22.664 16.611 1.00 94.88 C
359
+ ATOM 359 CB CYS A 44 13.417 24.072 17.176 1.00 93.42 C
360
+ ATOM 360 N CYS A 44 12.866 22.722 15.200 1.00 94.75 N
361
+ ATOM 361 O CYS A 44 10.981 22.065 17.172 1.00 94.76 O
362
+ ATOM 362 SG CYS A 44 14.815 24.966 16.461 1.00 64.22 S
363
+ ATOM 363 C LEU A 45 11.899 21.176 20.576 1.00 95.51 C
364
+ ATOM 364 CA LEU A 45 11.816 20.437 19.244 1.00 95.57 C
365
+ ATOM 365 CB LEU A 45 12.264 18.984 19.424 1.00 95.12 C
366
+ ATOM 366 CD1 LEU A 45 10.120 17.964 20.232 1.00 90.44 C
367
+ ATOM 367 CD2 LEU A 45 12.312 16.881 20.793 1.00 90.19 C
368
+ ATOM 368 CG LEU A 45 11.592 18.203 20.554 1.00 93.61 C
369
+ ATOM 369 N LEU A 45 12.630 21.101 18.230 1.00 95.45 N
370
+ ATOM 370 O LEU A 45 12.992 21.387 21.107 1.00 95.11 O
371
+ ATOM 371 C SER A 46 9.993 21.399 23.427 1.00 94.87 C
372
+ ATOM 372 CA SER A 46 10.737 22.270 22.419 1.00 95.01 C
373
+ ATOM 373 CB SER A 46 10.051 23.631 22.303 1.00 94.42 C
374
+ ATOM 374 N SER A 46 10.812 21.622 21.113 1.00 94.90 N
375
+ ATOM 375 O SER A 46 8.886 20.934 23.153 1.00 94.37 O
376
+ ATOM 376 OG SER A 46 10.773 24.487 21.435 1.00 89.39 O
377
+ ATOM 377 C VAL A 47 10.051 20.933 26.919 1.00 94.08 C
378
+ ATOM 378 CA VAL A 47 10.026 20.287 25.536 1.00 94.45 C
379
+ ATOM 379 CB VAL A 47 10.808 18.954 25.556 1.00 93.52 C
380
+ ATOM 380 CG1 VAL A 47 10.098 17.926 26.435 1.00 84.64 C
381
+ ATOM 381 CG2 VAL A 47 10.985 18.418 24.136 1.00 83.99 C
382
+ ATOM 382 N VAL A 47 10.571 21.212 24.548 1.00 94.49 N
383
+ ATOM 383 O VAL A 47 11.069 21.494 27.330 1.00 93.08 O
384
+ ATOM 384 C SER A 48 9.552 20.404 29.960 1.00 92.11 C
385
+ ATOM 385 CA SER A 48 8.873 21.366 28.991 1.00 92.49 C
386
+ ATOM 386 CB SER A 48 7.422 21.593 29.420 1.00 91.12 C
387
+ ATOM 387 N SER A 48 8.930 20.867 27.621 1.00 92.82 N
388
+ ATOM 388 O SER A 48 9.432 19.185 29.818 1.00 90.86 O
389
+ ATOM 389 OG SER A 48 6.719 20.364 29.481 1.00 76.50 O
390
+ ATOM 390 C ASP A 49 10.865 20.970 33.204 1.00 88.81 C
391
+ ATOM 391 CA ASP A 49 10.983 20.251 31.862 1.00 89.98 C
392
+ ATOM 392 CB ASP A 49 12.456 20.035 31.510 1.00 89.00 C
393
+ ATOM 393 CG ASP A 49 13.093 18.900 32.294 1.00 86.62 C
394
+ ATOM 394 N ASP A 49 10.308 20.998 30.806 1.00 90.63 N
395
+ ATOM 395 O ASP A 49 10.491 22.143 33.256 1.00 86.70 O
396
+ ATOM 396 OD1 ASP A 49 12.360 18.098 32.910 1.00 85.30 O
397
+ ATOM 397 OD2 ASP A 49 14.341 18.811 32.297 1.00 84.20 O
398
+ ATOM 398 C PHE A 50 12.223 20.343 36.323 1.00 84.42 C
399
+ ATOM 399 CA PHE A 50 10.979 20.791 35.565 1.00 85.75 C
400
+ ATOM 400 CB PHE A 50 9.719 20.358 36.321 1.00 83.56 C
401
+ ATOM 401 CD1 PHE A 50 9.056 22.200 37.901 1.00 74.19 C
402
+ ATOM 402 CD2 PHE A 50 10.066 20.232 38.808 1.00 74.58 C
403
+ ATOM 403 CE1 PHE A 50 8.955 22.742 39.181 1.00 73.47 C
404
+ ATOM 404 CE2 PHE A 50 9.969 20.767 40.088 1.00 73.68 C
405
+ ATOM 405 CG PHE A 50 9.611 20.942 37.704 1.00 78.87 C
406
+ ATOM 406 CZ PHE A 50 9.414 22.022 40.273 1.00 70.33 C
407
+ ATOM 407 N PHE A 50 10.976 20.250 34.211 1.00 86.20 N
408
+ ATOM 408 O PHE A 50 12.543 19.153 36.355 1.00 81.30 O
409
+ ATOM 409 C ASP A 51 14.080 21.717 38.879 1.00 82.47 C
410
+ ATOM 410 CA ASP A 51 14.259 21.057 37.514 1.00 82.00 C
411
+ ATOM 411 CB ASP A 51 15.526 21.582 36.838 1.00 78.76 C
412
+ ATOM 412 CG ASP A 51 16.773 21.388 37.683 1.00 71.11 C
413
+ ATOM 413 N ASP A 51 13.093 21.285 36.666 1.00 82.12 N
414
+ ATOM 414 O ASP A 51 13.587 22.843 38.972 1.00 80.64 O
415
+ ATOM 415 OD1 ASP A 51 17.087 22.264 38.517 1.00 64.70 O
416
+ ATOM 416 OD2 ASP A 51 17.449 20.352 37.511 1.00 67.69 O
417
+ ATOM 417 C ASN A 52 14.818 22.773 41.631 1.00 79.62 C
418
+ ATOM 418 CA ASN A 52 14.127 21.431 41.408 1.00 80.04 C
419
+ ATOM 419 CB ASN A 52 14.622 20.402 42.426 1.00 75.96 C
420
+ ATOM 420 CG ASN A 52 13.733 19.177 42.498 1.00 70.23 C
421
+ ATOM 421 N ASN A 52 14.329 20.944 40.047 1.00 79.42 N
422
+ ATOM 422 ND2 ASN A 52 14.300 18.057 42.930 1.00 67.08 N
423
+ ATOM 423 O ASN A 52 14.303 23.629 42.352 1.00 77.10 O
424
+ ATOM 424 OD1 ASN A 52 12.545 19.236 42.168 1.00 68.31 O
425
+ ATOM 425 C ALA A 53 16.147 25.248 40.342 1.00 79.61 C
426
+ ATOM 426 CA ALA A 53 16.678 24.114 41.214 1.00 80.27 C
427
+ ATOM 427 CB ALA A 53 18.153 23.861 40.912 1.00 76.21 C
428
+ ATOM 428 N ALA A 53 15.901 22.893 41.018 1.00 79.76 N
429
+ ATOM 429 O ALA A 53 16.015 26.385 40.802 1.00 77.68 O
430
+ ATOM 430 C LYS A 54 13.915 26.275 38.021 1.00 79.68 C
431
+ ATOM 431 CA LYS A 54 15.423 26.096 38.180 1.00 79.44 C
432
+ ATOM 432 CB LYS A 54 16.057 25.764 36.828 1.00 76.53 C
433
+ ATOM 433 CD LYS A 54 18.147 25.504 35.450 1.00 68.37 C
434
+ ATOM 434 CE LYS A 54 19.671 25.488 35.465 1.00 60.85 C
435
+ ATOM 435 CG LYS A 54 17.578 25.815 36.829 1.00 70.82 C
436
+ ATOM 436 N LYS A 54 15.728 25.056 39.158 1.00 79.92 N
437
+ ATOM 437 NZ LYS A 54 20.232 25.098 34.138 1.00 54.91 N
438
+ ATOM 438 O LYS A 54 13.456 27.321 37.556 1.00 77.03 O
439
+ ATOM 439 C GLY A 55 11.381 24.946 36.914 1.00 83.37 C
440
+ ATOM 440 CA GLY A 55 11.745 25.309 38.341 1.00 83.01 C
441
+ ATOM 441 N GLY A 55 13.175 25.254 38.598 1.00 82.76 N
442
+ ATOM 442 O GLY A 55 12.093 24.179 36.262 1.00 81.04 O
443
+ ATOM 443 C LEU A 56 10.633 25.690 34.045 1.00 85.98 C
444
+ ATOM 444 CA LEU A 56 9.748 25.055 35.112 1.00 85.37 C
445
+ ATOM 445 CB LEU A 56 8.309 25.557 34.963 1.00 82.56 C
446
+ ATOM 446 CD1 LEU A 56 5.931 25.548 35.759 1.00 68.27 C
447
+ ATOM 447 CD2 LEU A 56 7.007 23.410 35.001 1.00 68.65 C
448
+ ATOM 448 CG LEU A 56 7.231 24.752 35.691 1.00 75.10 C
449
+ ATOM 449 N LEU A 56 10.254 25.346 36.449 1.00 85.20 N
450
+ ATOM 450 O LEU A 56 10.990 26.866 34.147 1.00 84.10 O
451
+ ATOM 451 C ASN A 57 11.587 24.680 30.691 1.00 90.74 C
452
+ ATOM 452 CA ASN A 57 11.872 25.433 31.988 1.00 89.81 C
453
+ ATOM 453 CB ASN A 57 13.363 25.364 32.325 1.00 87.94 C
454
+ ATOM 454 CG ASN A 57 13.846 23.945 32.550 1.00 80.76 C
455
+ ATOM 455 N ASN A 57 11.072 24.916 33.094 1.00 89.71 N
456
+ ATOM 456 ND2 ASN A 57 14.236 23.639 33.783 1.00 74.54 N
457
+ ATOM 457 O ASN A 57 10.813 23.721 30.683 1.00 90.11 O
458
+ ATOM 458 OD1 ASN A 57 13.871 23.130 31.625 1.00 75.77 O
459
+ ATOM 459 C VAL A 58 13.196 24.297 27.682 1.00 92.06 C
460
+ ATOM 460 CA VAL A 58 11.835 24.569 28.319 1.00 92.24 C
461
+ ATOM 461 CB VAL A 58 10.989 25.479 27.401 1.00 91.32 C
462
+ ATOM 462 CG1 VAL A 58 10.846 24.861 26.012 1.00 86.43 C
463
+ ATOM 463 CG2 VAL A 58 9.617 25.734 28.021 1.00 85.67 C
464
+ ATOM 464 N VAL A 58 12.018 25.161 29.640 1.00 91.83 N
465
+ ATOM 465 O VAL A 58 14.065 25.172 27.663 1.00 91.18 O
466
+ ATOM 466 C LYS A 59 14.348 22.742 24.999 1.00 93.08 C
467
+ ATOM 467 CA LYS A 59 14.624 22.770 26.500 1.00 92.62 C
468
+ ATOM 468 CB LYS A 59 15.160 21.414 26.959 1.00 91.07 C
469
+ ATOM 469 CD LYS A 59 16.725 22.245 28.748 1.00 76.25 C
470
+ ATOM 470 CE LYS A 59 17.096 22.185 30.223 1.00 68.19 C
471
+ ATOM 471 CG LYS A 59 15.524 21.361 28.436 1.00 80.91 C
472
+ ATOM 472 N LYS A 59 13.423 23.129 27.248 1.00 92.59 N
473
+ ATOM 473 NZ LYS A 59 18.292 23.026 30.528 1.00 59.63 N
474
+ ATOM 474 O LYS A 59 13.320 22.221 24.562 1.00 92.62 O
475
+ ATOM 475 C HIS A 60 16.185 22.505 22.153 1.00 92.98 C
476
+ ATOM 476 CA HIS A 60 15.118 23.366 22.820 1.00 93.54 C
477
+ ATOM 477 CB HIS A 60 15.229 24.811 22.330 1.00 92.75 C
478
+ ATOM 478 CD2 HIS A 60 14.442 26.585 24.052 1.00 88.30 C
479
+ ATOM 479 CE1 HIS A 60 12.367 26.780 23.371 1.00 88.75 C
480
+ ATOM 480 CG HIS A 60 14.275 25.747 23.002 1.00 91.14 C
481
+ ATOM 481 N HIS A 60 15.227 23.310 24.273 1.00 93.22 N
482
+ ATOM 482 ND1 HIS A 60 12.966 25.891 22.597 1.00 88.18 N
483
+ ATOM 483 NE2 HIS A 60 13.240 27.216 24.263 1.00 89.82 N
484
+ ATOM 484 O HIS A 60 17.368 22.604 22.487 1.00 91.99 O
485
+ ATOM 485 C TYR A 61 16.525 21.037 19.066 1.00 93.47 C
486
+ ATOM 486 CA TYR A 61 16.627 20.787 20.566 1.00 93.80 C
487
+ ATOM 487 CB TYR A 61 16.315 19.319 20.872 1.00 93.52 C
488
+ ATOM 488 CD1 TYR A 61 17.632 18.556 22.888 1.00 92.04 C
489
+ ATOM 489 CD2 TYR A 61 15.311 19.048 23.171 1.00 91.79 C
490
+ ATOM 490 CE1 TYR A 61 17.734 18.230 24.237 1.00 91.12 C
491
+ ATOM 491 CE2 TYR A 61 15.401 18.725 24.521 1.00 91.23 C
492
+ ATOM 492 CG TYR A 61 16.421 18.968 22.337 1.00 93.11 C
493
+ ATOM 493 CZ TYR A 61 16.615 18.319 25.044 1.00 90.79 C
494
+ ATOM 494 N TYR A 61 15.728 21.666 21.305 1.00 93.70 N
495
+ ATOM 495 O TYR A 61 15.444 20.923 18.484 1.00 92.75 O
496
+ ATOM 496 OH TYR A 61 16.710 17.997 26.380 1.00 88.29 O
497
+ ATOM 497 C LYS A 62 17.459 20.149 16.294 1.00 92.85 C
498
+ ATOM 498 CA LYS A 62 17.623 21.495 16.995 1.00 92.67 C
499
+ ATOM 499 CB LYS A 62 18.915 22.173 16.534 1.00 91.14 C
500
+ ATOM 500 CD LYS A 62 20.141 23.402 14.711 1.00 80.21 C
501
+ ATOM 501 CE LYS A 62 20.091 23.886 13.268 1.00 71.69 C
502
+ ATOM 502 CG LYS A 62 18.915 22.569 15.065 1.00 83.73 C
503
+ ATOM 503 N LYS A 62 17.619 21.335 18.447 1.00 92.70 N
504
+ ATOM 504 NZ LYS A 62 21.245 24.775 12.942 1.00 63.78 N
505
+ ATOM 505 O LYS A 62 18.163 19.188 16.611 1.00 92.19 O
506
+ ATOM 506 C ILE A 63 16.998 19.248 13.146 1.00 92.08 C
507
+ ATOM 507 CA ILE A 63 16.310 18.955 14.478 1.00 93.37 C
508
+ ATOM 508 CB ILE A 63 14.822 18.606 14.248 1.00 93.05 C
509
+ ATOM 509 CD1 ILE A 63 12.600 18.327 15.493 1.00 91.04 C
510
+ ATOM 510 CG1 ILE A 63 14.120 18.354 15.586 1.00 92.29 C
511
+ ATOM 511 CG2 ILE A 63 14.688 17.394 13.322 1.00 91.90 C
512
+ ATOM 512 N ILE A 63 16.459 20.098 15.372 1.00 93.51 N
513
+ ATOM 513 O ILE A 63 16.598 20.162 12.423 1.00 90.12 O
514
+ ATOM 514 C ARG A 64 18.287 17.685 10.597 1.00 89.72 C
515
+ ATOM 515 CA ARG A 64 18.749 18.663 11.673 1.00 89.67 C
516
+ ATOM 516 CB ARG A 64 20.248 18.490 11.930 1.00 87.69 C
517
+ ATOM 517 CD ARG A 64 22.300 19.236 13.184 1.00 78.77 C
518
+ ATOM 518 CG ARG A 64 20.823 19.491 12.919 1.00 80.28 C
519
+ ATOM 519 CZ ARG A 64 24.115 20.215 14.548 1.00 68.97 C
520
+ ATOM 520 N ARG A 64 17.993 18.481 12.908 1.00 90.25 N
521
+ ATOM 521 NE ARG A 64 22.854 20.203 14.128 1.00 72.53 N
522
+ ATOM 522 NH1 ARG A 64 24.984 19.308 14.115 1.00 62.15 N
523
+ ATOM 523 NH2 ARG A 64 24.513 21.141 15.409 1.00 59.42 N
524
+ ATOM 524 O ARG A 64 17.787 16.603 10.910 1.00 88.53 O
525
+ ATOM 525 C LYS A 65 19.303 16.922 7.486 1.00 86.63 C
526
+ ATOM 526 CA LYS A 65 18.043 17.316 8.253 1.00 87.16 C
527
+ ATOM 527 CB LYS A 65 17.083 18.068 7.330 1.00 85.06 C
528
+ ATOM 528 CD LYS A 65 15.473 17.986 5.396 1.00 77.80 C
529
+ ATOM 529 CE LYS A 65 14.880 17.128 4.288 1.00 71.29 C
530
+ ATOM 530 CG LYS A 65 16.504 17.216 6.211 1.00 79.09 C
531
+ ATOM 531 N LYS A 65 18.371 18.127 9.422 1.00 87.79 N
532
+ ATOM 532 NZ LYS A 65 13.943 17.908 3.424 1.00 66.96 N
533
+ ATOM 533 O LYS A 65 20.154 17.767 7.203 1.00 84.57 O
534
+ ATOM 534 C LEU A 66 20.287 15.528 4.902 1.00 85.67 C
535
+ ATOM 535 CA LEU A 66 20.525 15.204 6.374 1.00 86.09 C
536
+ ATOM 536 CB LEU A 66 20.718 13.696 6.552 1.00 84.40 C
537
+ ATOM 537 CD1 LEU A 66 21.046 11.715 8.053 1.00 74.01 C
538
+ ATOM 538 CD2 LEU A 66 22.607 13.674 8.206 1.00 74.10 C
539
+ ATOM 539 CG LEU A 66 21.174 13.230 7.936 1.00 79.24 C
540
+ ATOM 540 N LEU A 66 19.417 15.679 7.196 1.00 86.47 N
541
+ ATOM 541 O LEU A 66 19.142 15.688 4.475 1.00 83.73 O
542
+ ATOM 542 C ASP A 67 20.393 14.707 2.056 1.00 82.34 C
543
+ ATOM 543 CA ASP A 67 21.237 15.814 2.683 1.00 82.91 C
544
+ ATOM 544 CB ASP A 67 22.618 15.860 2.025 1.00 80.06 C
545
+ ATOM 545 CG ASP A 67 23.408 17.104 2.391 1.00 74.31 C
546
+ ATOM 546 N ASP A 67 21.362 15.625 4.125 1.00 82.68 N
547
+ ATOM 547 O ASP A 67 19.668 14.945 1.087 1.00 80.31 O
548
+ ATOM 548 OD1 ASP A 67 22.795 18.123 2.777 1.00 72.32 O
549
+ ATOM 549 OD2 ASP A 67 24.653 17.066 2.288 1.00 76.76 O
550
+ ATOM 550 C SER A 68 18.322 12.419 2.502 1.00 82.00 C
551
+ ATOM 551 CA SER A 68 19.793 12.365 2.107 1.00 83.01 C
552
+ ATOM 552 CB SER A 68 20.418 11.062 2.610 1.00 80.47 C
553
+ ATOM 553 N SER A 68 20.524 13.516 2.627 1.00 83.96 N
554
+ ATOM 554 O SER A 68 17.526 11.584 2.067 1.00 78.82 O
555
+ ATOM 555 OG SER A 68 20.390 11.005 4.025 1.00 72.59 O
556
+ ATOM 556 C GLY A 69 16.261 13.166 5.092 1.00 82.77 C
557
+ ATOM 557 CA GLY A 69 16.569 13.635 3.682 1.00 82.99 C
558
+ ATOM 558 N GLY A 69 17.962 13.447 3.310 1.00 83.01 N
559
+ ATOM 559 O GLY A 69 15.137 13.324 5.572 1.00 79.82 O
560
+ ATOM 560 C GLY A 70 16.936 13.169 8.219 1.00 87.60 C
561
+ ATOM 561 CA GLY A 70 16.898 12.065 7.179 1.00 87.36 C
562
+ ATOM 562 N GLY A 70 17.120 12.547 5.824 1.00 87.08 N
563
+ ATOM 563 O GLY A 70 17.578 14.202 8.012 1.00 85.71 O
564
+ ATOM 564 C PHE A 71 16.817 13.367 11.684 1.00 91.14 C
565
+ ATOM 565 CA PHE A 71 16.138 13.920 10.437 1.00 91.33 C
566
+ ATOM 566 CB PHE A 71 14.686 14.296 10.753 1.00 90.44 C
567
+ ATOM 567 CD1 PHE A 71 14.002 16.329 9.439 1.00 86.67 C
568
+ ATOM 568 CD2 PHE A 71 13.250 14.185 8.693 1.00 87.01 C
569
+ ATOM 569 CE1 PHE A 71 13.335 16.938 8.378 1.00 88.17 C
570
+ ATOM 570 CE2 PHE A 71 12.581 14.787 7.631 1.00 88.11 C
571
+ ATOM 571 CG PHE A 71 13.965 14.950 9.606 1.00 89.13 C
572
+ ATOM 572 CZ PHE A 71 12.625 16.163 7.475 1.00 87.13 C
573
+ ATOM 573 N PHE A 71 16.191 12.954 9.346 1.00 90.40 N
574
+ ATOM 574 O PHE A 71 16.757 12.164 11.948 1.00 90.27 O
575
+ ATOM 575 C TYR A 72 18.239 14.959 14.574 1.00 91.03 C
576
+ ATOM 576 CA TYR A 72 18.013 13.798 13.613 1.00 91.13 C
577
+ ATOM 577 CB TYR A 72 19.341 13.093 13.325 1.00 90.10 C
578
+ ATOM 578 CD1 TYR A 72 20.421 14.298 11.385 1.00 84.37 C
579
+ ATOM 579 CD2 TYR A 72 21.377 14.566 13.558 1.00 84.94 C
580
+ ATOM 580 CE1 TYR A 72 21.394 15.135 10.847 1.00 84.80 C
581
+ ATOM 581 CE2 TYR A 72 22.354 15.403 13.031 1.00 85.39 C
582
+ ATOM 582 CG TYR A 72 20.398 14.002 12.746 1.00 87.76 C
583
+ ATOM 583 CZ TYR A 72 22.355 15.682 11.676 1.00 82.79 C
584
+ ATOM 584 N TYR A 72 17.398 14.259 12.373 1.00 90.72 N
585
+ ATOM 585 O TYR A 72 18.335 16.113 14.151 1.00 90.11 O
586
+ ATOM 586 OH TYR A 72 23.320 16.509 11.149 1.00 78.22 O
587
+ ATOM 587 C ILE A 73 20.079 15.102 17.374 1.00 87.78 C
588
+ ATOM 588 CA ILE A 73 18.655 15.453 16.950 1.00 90.75 C
589
+ ATOM 589 CB ILE A 73 17.705 15.396 18.168 1.00 89.45 C
590
+ ATOM 590 CD1 ILE A 73 15.277 15.799 18.882 1.00 81.96 C
591
+ ATOM 591 CG1 ILE A 73 16.339 15.991 17.808 1.00 84.32 C
592
+ ATOM 592 CG2 ILE A 73 18.319 16.125 19.368 1.00 83.05 C
593
+ ATOM 593 N ILE A 73 18.219 14.550 15.891 1.00 90.76 N
594
+ ATOM 594 O ILE A 73 20.929 15.985 17.510 1.00 83.89 O
595
+ ATOM 595 C THR A 74 22.045 12.421 16.632 1.00 84.61 C
596
+ ATOM 596 CA THR A 74 21.638 13.261 17.840 1.00 84.42 C
597
+ ATOM 597 CB THR A 74 21.692 12.394 19.112 1.00 81.97 C
598
+ ATOM 598 CG2 THR A 74 21.093 13.130 20.305 1.00 71.46 C
599
+ ATOM 599 N THR A 74 20.311 13.836 17.648 1.00 85.58 N
600
+ ATOM 600 O THR A 74 21.216 11.714 16.055 1.00 82.14 O
601
+ ATOM 601 OG1 THR A 74 20.956 11.185 18.891 1.00 71.53 O
602
+ ATOM 602 C SER A 75 23.627 10.347 15.031 1.00 79.58 C
603
+ ATOM 603 CA SER A 75 23.717 11.867 14.939 1.00 79.16 C
604
+ ATOM 604 CB SER A 75 25.154 12.282 14.623 1.00 74.93 C
605
+ ATOM 605 N SER A 75 23.260 12.499 16.172 1.00 79.17 N
606
+ ATOM 606 O SER A 75 23.669 9.654 14.012 1.00 76.42 O
607
+ ATOM 607 OG SER A 75 26.016 11.977 15.706 1.00 67.32 O
608
+ ATOM 608 C ARG A 76 22.095 7.700 15.888 1.00 82.39 C
609
+ ATOM 609 CA ARG A 76 23.441 8.304 16.273 1.00 81.97 C
610
+ ATOM 610 CB ARG A 76 23.787 7.935 17.718 1.00 78.38 C
611
+ ATOM 611 CD ARG A 76 25.523 7.832 19.539 1.00 67.21 C
612
+ ATOM 612 CG ARG A 76 25.210 8.285 18.120 1.00 70.30 C
613
+ ATOM 613 CZ ARG A 76 27.363 8.068 21.174 1.00 59.83 C
614
+ ATOM 614 N ARG A 76 23.435 9.753 16.101 1.00 82.25 N
615
+ ATOM 615 NE ARG A 76 26.855 8.258 19.960 1.00 57.74 N
616
+ ATOM 616 NH1 ARG A 76 26.658 7.451 22.115 1.00 45.48 N
617
+ ATOM 617 NH2 ARG A 76 28.586 8.497 21.450 1.00 40.97 N
618
+ ATOM 618 O ARG A 76 22.011 6.517 15.554 1.00 79.84 O
619
+ ATOM 619 C THR A 77 19.150 8.901 14.543 1.00 85.98 C
620
+ ATOM 620 CA THR A 77 19.834 8.008 15.573 1.00 85.75 C
621
+ ATOM 621 CB THR A 77 18.969 7.926 16.844 1.00 83.14 C
622
+ ATOM 622 CG2 THR A 77 17.648 7.217 16.564 1.00 74.21 C
623
+ ATOM 623 N THR A 77 21.174 8.500 15.876 1.00 85.49 N
624
+ ATOM 624 O THR A 77 18.891 10.077 14.809 1.00 84.30 O
625
+ ATOM 625 OG1 THR A 77 19.681 7.204 17.855 1.00 75.82 O
626
+ ATOM 626 C GLN A 78 16.903 8.554 11.955 1.00 90.40 C
627
+ ATOM 627 CA GLN A 78 18.294 9.080 12.298 1.00 89.94 C
628
+ ATOM 628 CB GLN A 78 19.195 9.026 11.063 1.00 87.57 C
629
+ ATOM 629 CD GLN A 78 21.515 9.365 10.109 1.00 73.94 C
630
+ ATOM 630 CG GLN A 78 20.602 9.553 11.307 1.00 78.12 C
631
+ ATOM 631 N GLN A 78 18.884 8.324 13.398 1.00 89.51 N
632
+ ATOM 632 NE2 GLN A 78 22.805 9.613 10.302 1.00 64.83 N
633
+ ATOM 633 O GLN A 78 16.627 7.362 12.113 1.00 89.41 O
634
+ ATOM 634 OE1 GLN A 78 21.063 8.999 9.020 1.00 71.36 O
635
+ ATOM 635 C PHE A 79 14.389 9.663 9.668 1.00 91.25 C
636
+ ATOM 636 CA PHE A 79 14.771 9.142 11.048 1.00 91.47 C
637
+ ATOM 637 CB PHE A 79 13.804 9.689 12.102 1.00 91.09 C
638
+ ATOM 638 CD1 PHE A 79 13.713 8.084 14.038 1.00 88.92 C
639
+ ATOM 639 CD2 PHE A 79 14.924 10.128 14.308 1.00 88.96 C
640
+ ATOM 640 CE1 PHE A 79 14.035 7.714 15.342 1.00 89.05 C
641
+ ATOM 641 CE2 PHE A 79 15.251 9.766 15.612 1.00 89.30 C
642
+ ATOM 642 CG PHE A 79 14.154 9.292 13.511 1.00 90.59 C
643
+ ATOM 643 CZ PHE A 79 14.804 8.559 16.127 1.00 88.43 C
644
+ ATOM 644 N PHE A 79 16.146 9.502 11.376 1.00 90.93 N
645
+ ATOM 645 O PHE A 79 14.860 10.722 9.246 1.00 90.47 O
646
+ ATOM 646 C ASN A 80 12.037 10.372 7.700 1.00 91.15 C
647
+ ATOM 647 CA ASN A 80 13.086 9.263 7.701 1.00 91.05 C
648
+ ATOM 648 CB ASN A 80 12.559 8.034 6.957 1.00 89.19 C
649
+ ATOM 649 CG ASN A 80 13.643 7.011 6.678 1.00 80.87 C
650
+ ATOM 650 N ASN A 80 13.488 8.907 9.057 1.00 91.17 N
651
+ ATOM 651 ND2 ASN A 80 13.260 5.741 6.626 1.00 73.05 N
652
+ ATOM 652 O ASN A 80 11.757 10.968 6.658 1.00 89.91 O
653
+ ATOM 653 OD1 ASN A 80 14.814 7.361 6.510 1.00 73.44 O
654
+ ATOM 654 C SER A 81 10.377 12.228 10.314 1.00 93.09 C
655
+ ATOM 655 CA SER A 81 10.432 11.654 8.902 1.00 92.34 C
656
+ ATOM 656 CB SER A 81 9.062 11.096 8.517 1.00 91.32 C
657
+ ATOM 657 N SER A 81 11.456 10.621 8.789 1.00 91.78 N
658
+ ATOM 658 O SER A 81 10.853 11.600 11.263 1.00 92.95 O
659
+ ATOM 659 OG SER A 81 8.608 10.166 9.485 1.00 87.48 O
660
+ ATOM 660 C LEU A 82 8.667 13.225 12.578 1.00 94.44 C
661
+ ATOM 661 CA LEU A 82 9.618 14.056 11.725 1.00 93.96 C
662
+ ATOM 662 CB LEU A 82 9.078 15.481 11.578 1.00 92.46 C
663
+ ATOM 663 CD1 LEU A 82 9.336 17.842 10.773 1.00 73.58 C
664
+ ATOM 664 CD2 LEU A 82 11.203 16.738 12.037 1.00 73.44 C
665
+ ATOM 665 CG LEU A 82 10.060 16.528 11.048 1.00 84.05 C
666
+ ATOM 666 N LEU A 82 9.809 13.445 10.414 1.00 93.34 N
667
+ ATOM 667 O LEU A 82 8.806 13.178 13.803 1.00 94.16 O
668
+ ATOM 668 C GLN A 83 7.437 10.523 13.355 1.00 94.83 C
669
+ ATOM 669 CA GLN A 83 6.710 11.679 12.675 1.00 94.86 C
670
+ ATOM 670 CB GLN A 83 5.647 11.139 11.717 1.00 94.01 C
671
+ ATOM 671 CD GLN A 83 5.116 12.771 9.855 1.00 86.59 C
672
+ ATOM 672 CG GLN A 83 4.690 12.204 11.197 1.00 89.97 C
673
+ ATOM 673 N GLN A 83 7.645 12.547 11.968 1.00 94.66 N
674
+ ATOM 674 NE2 GLN A 83 4.144 13.194 9.055 1.00 84.42 N
675
+ ATOM 675 O GLN A 83 7.168 10.211 14.517 1.00 94.41 O
676
+ ATOM 676 OE1 GLN A 83 6.310 12.830 9.541 1.00 85.50 O
677
+ ATOM 677 C GLN A 84 10.016 9.346 14.360 1.00 94.28 C
678
+ ATOM 678 CA GLN A 84 9.141 8.855 13.210 1.00 94.18 C
679
+ ATOM 679 CB GLN A 84 10.006 8.177 12.146 1.00 93.07 C
680
+ ATOM 680 CD GLN A 84 10.095 6.662 10.119 1.00 81.25 C
681
+ ATOM 681 CG GLN A 84 9.212 7.341 11.150 1.00 86.18 C
682
+ ATOM 682 N GLN A 84 8.375 9.951 12.627 1.00 94.12 N
683
+ ATOM 683 NE2 GLN A 84 9.472 5.991 9.156 1.00 74.92 N
684
+ ATOM 684 O GLN A 84 10.177 8.650 15.365 1.00 93.73 O
685
+ ATOM 685 OE1 GLN A 84 11.326 6.742 10.188 1.00 79.16 O
686
+ ATOM 686 C LEU A 85 10.583 11.349 16.462 1.00 94.55 C
687
+ ATOM 687 CA LEU A 85 11.396 11.120 15.193 1.00 94.28 C
688
+ ATOM 688 CB LEU A 85 11.996 12.444 14.712 1.00 93.35 C
689
+ ATOM 689 CD1 LEU A 85 14.021 13.905 14.943 1.00 79.37 C
690
+ ATOM 690 CD2 LEU A 85 12.120 14.131 16.567 1.00 79.59 C
691
+ ATOM 691 CG LEU A 85 12.918 13.167 15.696 1.00 87.88 C
692
+ ATOM 692 N LEU A 85 10.571 10.524 14.148 1.00 93.94 N
693
+ ATOM 693 O LEU A 85 10.986 10.925 17.548 1.00 94.22 O
694
+ ATOM 694 C VAL A 86 8.088 10.937 18.147 1.00 94.91 C
695
+ ATOM 695 CA VAL A 86 8.562 12.240 17.508 1.00 95.17 C
696
+ ATOM 696 CB VAL A 86 7.350 13.110 17.107 1.00 94.73 C
697
+ ATOM 697 CG1 VAL A 86 6.339 13.185 18.250 1.00 93.27 C
698
+ ATOM 698 CG2 VAL A 86 7.809 14.510 16.704 1.00 92.85 C
699
+ ATOM 699 N VAL A 86 9.413 11.946 16.359 1.00 94.99 N
700
+ ATOM 700 O VAL A 86 8.073 10.810 19.374 1.00 94.31 O
701
+ ATOM 701 C ALA A 87 8.368 7.976 18.670 1.00 94.82 C
702
+ ATOM 702 CA ALA A 87 7.269 8.648 17.851 1.00 94.99 C
703
+ ATOM 703 CB ALA A 87 6.829 7.734 16.710 1.00 94.17 C
704
+ ATOM 704 N ALA A 87 7.717 9.935 17.328 1.00 95.10 N
705
+ ATOM 705 O ALA A 87 8.105 7.430 19.744 1.00 94.16 O
706
+ ATOM 706 C TYR A 88 10.890 8.149 20.213 1.00 94.38 C
707
+ ATOM 707 CA TYR A 88 10.677 7.480 18.861 1.00 94.54 C
708
+ ATOM 708 CB TYR A 88 11.953 7.583 18.020 1.00 94.04 C
709
+ ATOM 709 CD1 TYR A 88 13.473 5.671 18.664 1.00 89.17 C
710
+ ATOM 710 CD2 TYR A 88 14.043 7.870 19.404 1.00 88.90 C
711
+ ATOM 711 CE1 TYR A 88 14.600 5.158 19.299 1.00 88.48 C
712
+ ATOM 712 CE2 TYR A 88 15.173 7.368 20.043 1.00 88.78 C
713
+ ATOM 713 CG TYR A 88 13.179 7.032 18.708 1.00 92.35 C
714
+ ATOM 714 CZ TYR A 88 15.443 6.013 19.984 1.00 87.10 C
715
+ ATOM 715 N TYR A 88 9.549 8.078 18.155 1.00 94.48 N
716
+ ATOM 716 O TYR A 88 11.009 7.470 21.237 1.00 93.73 O
717
+ ATOM 717 OH TYR A 88 16.560 5.511 20.613 1.00 81.06 O
718
+ ATOM 718 C TYR A 89 10.030 10.159 22.453 1.00 94.14 C
719
+ ATOM 719 CA TYR A 89 11.233 10.155 21.517 1.00 94.46 C
720
+ ATOM 720 CB TYR A 89 11.668 11.594 21.221 1.00 94.01 C
721
+ ATOM 721 CD1 TYR A 89 14.149 11.381 21.644 1.00 91.17 C
722
+ ATOM 722 CD2 TYR A 89 13.428 12.162 19.505 1.00 90.93 C
723
+ ATOM 723 CE1 TYR A 89 15.477 11.493 21.244 1.00 90.58 C
724
+ ATOM 724 CE2 TYR A 89 14.752 12.278 19.094 1.00 90.67 C
725
+ ATOM 725 CG TYR A 89 13.107 11.715 20.781 1.00 93.29 C
726
+ ATOM 726 CZ TYR A 89 15.768 11.941 19.969 1.00 89.79 C
727
+ ATOM 727 N TYR A 89 10.928 9.448 20.278 1.00 94.16 N
728
+ ATOM 728 O TYR A 89 10.136 10.579 23.607 1.00 93.32 O
729
+ ATOM 729 OH TYR A 89 17.080 12.053 19.568 1.00 86.39 O
730
+ ATOM 730 C SER A 90 7.911 8.236 23.632 1.00 94.24 C
731
+ ATOM 731 CA SER A 90 7.734 9.511 22.814 1.00 94.98 C
732
+ ATOM 732 CB SER A 90 6.449 9.422 21.989 1.00 94.17 C
733
+ ATOM 733 N SER A 90 8.882 9.749 21.946 1.00 95.08 N
734
+ ATOM 734 O SER A 90 7.288 8.076 24.683 1.00 92.78 O
735
+ ATOM 735 OG SER A 90 6.144 10.672 21.394 1.00 84.11 O
736
+ ATOM 736 C LYS A 91 10.453 6.138 24.598 1.00 92.96 C
737
+ ATOM 737 CA LYS A 91 9.107 6.126 23.879 1.00 93.74 C
738
+ ATOM 738 CB LYS A 91 9.055 4.964 22.885 1.00 92.40 C
739
+ ATOM 739 CD LYS A 91 7.697 3.575 21.284 1.00 80.36 C
740
+ ATOM 740 CE LYS A 91 6.351 3.413 20.589 1.00 73.15 C
741
+ ATOM 741 CG LYS A 91 7.686 4.749 22.256 1.00 84.92 C
742
+ ATOM 742 N LYS A 91 8.861 7.394 23.199 1.00 94.19 N
743
+ ATOM 743 NZ LYS A 91 6.369 2.288 19.607 1.00 66.85 N
744
+ ATOM 744 O LYS A 91 10.649 5.412 25.574 1.00 91.25 O
745
+ ATOM 745 C HIS A 92 13.173 8.506 24.798 1.00 89.67 C
746
+ ATOM 746 CA HIS A 92 12.730 7.064 24.575 1.00 90.85 C
747
+ ATOM 747 CB HIS A 92 13.689 6.362 23.613 1.00 88.68 C
748
+ ATOM 748 CD2 HIS A 92 13.446 3.783 23.754 1.00 72.88 C
749
+ ATOM 749 CE1 HIS A 92 12.214 3.488 21.964 1.00 73.60 C
750
+ ATOM 750 CG HIS A 92 13.233 4.999 23.198 1.00 80.52 C
751
+ ATOM 751 N HIS A 92 11.363 7.004 24.068 1.00 90.96 N
752
+ ATOM 752 ND1 HIS A 92 12.459 4.782 22.079 1.00 70.63 N
753
+ ATOM 753 NE2 HIS A 92 12.802 2.859 22.968 1.00 73.23 N
754
+ ATOM 754 O HIS A 92 12.976 9.360 23.931 1.00 87.26 O
755
+ ATOM 755 C ALA A 93 15.595 10.350 25.366 1.00 85.57 C
756
+ ATOM 756 CA ALA A 93 14.279 10.153 26.114 1.00 86.58 C
757
+ ATOM 757 CB ALA A 93 14.465 10.449 27.601 1.00 84.50 C
758
+ ATOM 758 N ALA A 93 13.765 8.799 25.925 1.00 86.92 N
759
+ ATOM 759 O ALA A 93 15.789 11.367 24.695 1.00 82.67 O
760
+ ATOM 760 C ASP A 94 18.423 10.623 24.332 1.00 86.54 C
761
+ ATOM 761 CA ASP A 94 17.706 9.286 24.508 1.00 87.07 C
762
+ ATOM 762 CB ASP A 94 17.439 8.648 23.143 1.00 83.81 C
763
+ ATOM 763 CG ASP A 94 17.293 7.139 23.213 1.00 74.44 C
764
+ ATOM 764 N ASP A 94 16.459 9.453 25.248 1.00 87.76 N
765
+ ATOM 765 O ASP A 94 18.748 11.016 23.208 1.00 81.60 O
766
+ ATOM 766 OD1 ASP A 94 17.455 6.560 24.309 1.00 64.47 O
767
+ ATOM 767 OD2 ASP A 94 17.016 6.521 22.161 1.00 70.02 O
768
+ ATOM 768 C GLY A 95 18.625 13.812 25.513 1.00 85.87 C
769
+ ATOM 769 CA GLY A 95 19.510 12.600 25.288 1.00 85.18 C
770
+ ATOM 770 N GLY A 95 18.782 11.342 25.334 1.00 85.26 N
771
+ ATOM 771 O GLY A 95 19.122 14.928 25.677 1.00 84.65 O
772
+ ATOM 772 C LEU A 96 16.238 14.841 27.278 1.00 90.30 C
773
+ ATOM 773 CA LEU A 96 16.412 14.717 25.768 1.00 90.88 C
774
+ ATOM 774 CB LEU A 96 15.054 14.465 25.105 1.00 90.24 C
775
+ ATOM 775 CD1 LEU A 96 13.633 14.371 23.042 1.00 86.40 C
776
+ ATOM 776 CD2 LEU A 96 15.904 15.432 22.950 1.00 86.74 C
777
+ ATOM 777 CG LEU A 96 15.058 14.332 23.581 1.00 89.11 C
778
+ ATOM 778 N LEU A 96 17.347 13.647 25.438 1.00 90.27 N
779
+ ATOM 779 O LEU A 96 16.560 13.912 28.022 1.00 89.03 O
780
+ ATOM 780 C CYS A 97 14.406 15.237 29.633 1.00 90.23 C
781
+ ATOM 781 CA CYS A 97 15.479 16.181 29.103 1.00 90.71 C
782
+ ATOM 782 CB CYS A 97 15.051 17.631 29.326 1.00 89.78 C
783
+ ATOM 783 N CYS A 97 15.738 15.935 27.689 1.00 90.39 N
784
+ ATOM 784 O CYS A 97 14.380 14.927 30.825 1.00 88.68 O
785
+ ATOM 785 SG CYS A 97 13.551 18.092 28.432 1.00 91.27 S
786
+ ATOM 786 C HIS A 98 11.854 13.350 27.818 1.00 91.57 C
787
+ ATOM 787 CA HIS A 98 12.431 13.955 29.093 1.00 91.38 C
788
+ ATOM 788 CB HIS A 98 11.335 14.684 29.872 1.00 90.28 C
789
+ ATOM 789 CD2 HIS A 98 10.301 13.464 31.914 1.00 79.99 C
790
+ ATOM 790 CE1 HIS A 98 8.769 12.314 30.849 1.00 81.69 C
791
+ ATOM 791 CG HIS A 98 10.405 13.766 30.598 1.00 85.55 C
792
+ ATOM 792 N HIS A 98 13.534 14.862 28.794 1.00 90.60 N
793
+ ATOM 793 ND1 HIS A 98 9.433 13.029 29.956 1.00 79.69 N
794
+ ATOM 794 NE2 HIS A 98 9.277 12.558 32.044 1.00 81.98 N
795
+ ATOM 795 O HIS A 98 11.988 13.926 26.736 1.00 90.91 O
796
+ ATOM 796 C ARG A 99 9.348 12.639 26.513 1.00 93.17 C
797
+ ATOM 797 CA ARG A 99 10.521 11.726 26.851 1.00 92.86 C
798
+ ATOM 798 CB ARG A 99 10.019 10.310 27.136 1.00 90.76 C
799
+ ATOM 799 CD ARG A 99 8.621 8.788 28.577 1.00 76.43 C
800
+ ATOM 800 CG ARG A 99 9.057 10.222 28.311 1.00 80.12 C
801
+ ATOM 801 CZ ARG A 99 6.495 8.654 29.832 1.00 67.96 C
802
+ ATOM 802 N ARG A 99 11.276 12.242 27.988 1.00 92.47 N
803
+ ATOM 803 NE ARG A 99 7.824 8.685 29.796 1.00 72.66 N
804
+ ATOM 804 NH1 ARG A 99 5.785 8.717 28.711 1.00 57.50 N
805
+ ATOM 805 NH2 ARG A 99 5.871 8.557 30.996 1.00 52.50 N
806
+ ATOM 806 O ARG A 99 8.836 13.348 27.381 1.00 92.63 O
807
+ ATOM 807 C LEU A 100 6.432 12.767 25.237 1.00 93.21 C
808
+ ATOM 808 CA LEU A 100 7.737 13.401 24.766 1.00 94.47 C
809
+ ATOM 809 CB LEU A 100 7.731 13.536 23.240 1.00 93.62 C
810
+ ATOM 810 CD1 LEU A 100 8.912 13.982 21.074 1.00 86.23 C
811
+ ATOM 811 CD2 LEU A 100 9.501 15.314 23.118 1.00 86.65 C
812
+ ATOM 812 CG LEU A 100 9.052 13.954 22.591 1.00 91.22 C
813
+ ATOM 813 N LEU A 100 8.885 12.615 25.204 1.00 93.89 N
814
+ ATOM 814 O LEU A 100 6.072 11.675 24.791 1.00 91.23 O
815
+ ATOM 815 C THR A 101 3.177 13.366 26.247 1.00 92.45 C
816
+ ATOM 816 CA THR A 101 4.497 12.774 26.734 1.00 93.36 C
817
+ ATOM 817 CB THR A 101 4.583 12.903 28.267 1.00 91.67 C
818
+ ATOM 818 CG2 THR A 101 5.790 12.147 28.814 1.00 74.49 C
819
+ ATOM 819 N THR A 101 5.627 13.426 26.083 1.00 93.82 N
820
+ ATOM 820 O THR A 101 2.190 12.646 26.083 1.00 90.15 O
821
+ ATOM 821 OG1 THR A 101 4.701 14.286 28.619 1.00 75.70 O
822
+ ATOM 822 C THR A 102 2.187 16.440 24.680 1.00 93.99 C
823
+ ATOM 823 CA THR A 102 1.924 15.368 25.733 1.00 93.64 C
824
+ ATOM 824 CB THR A 102 1.285 16.012 26.978 1.00 91.93 C
825
+ ATOM 825 CG2 THR A 102 -0.077 16.613 26.647 1.00 71.45 C
826
+ ATOM 826 N THR A 102 3.156 14.666 26.075 1.00 93.54 N
827
+ ATOM 827 O THR A 102 3.146 17.206 24.792 1.00 93.45 O
828
+ ATOM 828 OG1 THR A 102 1.122 15.015 27.994 1.00 73.10 O
829
+ ATOM 829 C VAL A 103 0.944 18.892 23.372 1.00 94.65 C
830
+ ATOM 830 CA VAL A 103 1.392 17.579 22.734 1.00 94.92 C
831
+ ATOM 831 CB VAL A 103 0.529 17.269 21.490 1.00 94.21 C
832
+ ATOM 832 CG1 VAL A 103 0.520 18.457 20.530 1.00 90.95 C
833
+ ATOM 833 CG2 VAL A 103 1.041 16.013 20.786 1.00 90.35 C
834
+ ATOM 834 N VAL A 103 1.321 16.503 23.717 1.00 94.74 N
835
+ ATOM 835 O VAL A 103 -0.046 18.927 24.107 1.00 93.94 O
836
+ ATOM 836 C CYS A 104 0.007 21.686 23.249 1.00 93.08 C
837
+ ATOM 837 CA CYS A 104 1.379 21.230 23.730 1.00 94.39 C
838
+ ATOM 838 CB CYS A 104 2.440 22.250 23.317 1.00 93.33 C
839
+ ATOM 839 N CYS A 104 1.706 19.910 23.202 1.00 94.31 N
840
+ ATOM 840 O CYS A 104 -0.269 21.675 22.048 1.00 90.57 O
841
+ ATOM 841 SG CYS A 104 2.242 23.864 24.103 1.00 87.52 S
842
+ ATOM 842 C PRO A 105 -2.065 23.960 23.027 1.00 88.25 C
843
+ ATOM 843 CA PRO A 105 -2.180 22.615 23.741 1.00 89.87 C
844
+ ATOM 844 CB PRO A 105 -2.961 22.757 25.050 1.00 88.25 C
845
+ ATOM 845 CD PRO A 105 -0.754 21.880 25.571 1.00 84.39 C
846
+ ATOM 846 CG PRO A 105 -2.173 21.977 26.052 1.00 84.64 C
847
+ ATOM 847 N PRO A 105 -0.882 22.094 24.177 1.00 90.82 N
848
+ ATOM 848 O PRO A 105 -1.159 24.744 23.321 1.00 85.23 O
849
+ ATOM 849 C THR A 106 -3.492 26.550 22.062 1.00 76.11 C
850
+ ATOM 850 CA THR A 106 -2.821 25.474 21.212 1.00 78.03 C
851
+ ATOM 851 CB THR A 106 -3.541 25.364 19.856 1.00 73.28 C
852
+ ATOM 852 CG2 THR A 106 -2.707 24.577 18.852 1.00 65.01 C
853
+ ATOM 853 N THR A 106 -2.813 24.195 21.912 1.00 79.41 N
854
+ ATOM 854 O THR A 106 -4.407 26.257 22.835 1.00 70.71 O
855
+ ATOM 855 OG1 THR A 106 -4.799 24.701 20.041 1.00 65.98 O
856
+ TER 856 THR A 106
857
+ END
1o41/1o41_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uz4/1uz4_ligand.mol2 ADDED
@@ -0,0 +1,60 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
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1yw2/1yw2_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yw2/1yw2_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2asu/2asu_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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+
2asu/2asu_ligand.sdf ADDED
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+ $$$$
2asu/2asu_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2asu/2asu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2cf9/2cf9_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
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+ $$$$
2gg9/2gg9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gg9/2gg9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2oji/2oji_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
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+ ###
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+
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2oji/2oji_ligand.sdf ADDED
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+ $$$$