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THU-ATOM
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PDBbind_test

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Add batch 27

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  1. 6qsz/6qsz_ligand.mol2 +272 -0
  2. 6qsz/6qsz_ligand.sdf +272 -0
  3. 6qsz/6qsz_protein_alphafold_aligned_tr_fix.pdb +933 -0
  4. 6qsz/6qsz_protein_esmfold_aligned_tr_fix.pdb +933 -0
  5. 6qsz/6qsz_protein_processed_fix.pdb +0 -0
  6. 6qsz/6qsz_rdkit_ligand.pdb +191 -0
  7. 6qtm/6qtm_ligand.mol2 +291 -0
  8. 6qtm/6qtm_ligand.sdf +289 -0
  9. 6qtm/6qtm_protein_alphafold_aligned_tr_fix.pdb +934 -0
  10. 6qtm/6qtm_protein_esmfold_aligned_tr_fix.pdb +934 -0
  11. 6qtm/6qtm_protein_processed_fix.pdb +0 -0
  12. 6qtm/6qtm_rdkit_ligand.pdb +204 -0
  13. 6qto/6qto_protein_alphafold_aligned_tr_fix.pdb +0 -0
  14. 6qto/6qto_protein_esmfold_aligned_tr_fix.pdb +0 -0
  15. 6qto/6qto_protein_processed_fix.pdb +0 -0
  16. 6qtq/6qtq_protein_alphafold_aligned_tr_fix.pdb +0 -0
  17. 6qtq/6qtq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 6qtq/6qtq_protein_processed_fix.pdb +0 -0
  19. 6qtr/6qtr_ligand.sdf +380 -0
  20. 6qtr/6qtr_protein_alphafold_aligned_tr_fix.pdb +0 -0
  21. 6qtr/6qtr_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 6qtr/6qtr_protein_processed_fix.pdb +0 -0
  23. 6qtr/6qtr_rdkit_ligand.pdb +269 -0
  24. 6qts/6qts_protein_alphafold_aligned_tr_fix.pdb +0 -0
  25. 6qts/6qts_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 6qts/6qts_protein_processed_fix.pdb +0 -0
  27. 6qtw/6qtw_protein_alphafold_aligned_tr_fix.pdb +0 -0
  28. 6qtw/6qtw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  29. 6qtw/6qtw_protein_processed_fix.pdb +0 -0
  30. 6qtx/6qtx_protein_alphafold_aligned_tr_fix.pdb +0 -0
  31. 6qtx/6qtx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 6qtx/6qtx_protein_processed_fix.pdb +0 -0
  33. 6quv/6quv_ligand.mol2 +124 -0
  34. 6quv/6quv_ligand.sdf +114 -0
  35. 6quv/6quv_protein_alphafold_aligned_tr_fix.pdb +0 -0
  36. 6quv/6quv_protein_esmfold_aligned_tr_fix.pdb +0 -0
  37. 6quv/6quv_protein_processed_fix.pdb +0 -0
  38. 6quv/6quv_rdkit_ligand.pdb +78 -0
  39. 6quw/6quw_ligand.mol2 +92 -0
  40. 6quw/6quw_ligand.sdf +82 -0
  41. 6quw/6quw_protein_alphafold_aligned_tr_fix.pdb +0 -0
  42. 6quw/6quw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  43. 6quw/6quw_protein_processed_fix.pdb +0 -0
  44. 6quw/6quw_rdkit_ligand.pdb +54 -0
  45. 6qw8/6qw8_ligand.mol2 +109 -0
  46. 6qw8/6qw8_ligand.sdf +101 -0
  47. 6qw8/6qw8_protein_alphafold_aligned_tr_fix.pdb +0 -0
  48. 6qw8/6qw8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  49. 6qw8/6qw8_protein_processed_fix.pdb +0 -0
  50. 6qw8/6qw8_rdkit_ligand.pdb +68 -0
6qsz/6qsz_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Aug 2 16:17:07 2021
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+ ATOM 96 CB ALA A 11 21.606 0.125 -1.405 1.00 0.00 C
98
+ ATOM 97 O ALA A 11 21.218 -2.074 1.044 1.00 0.00 O
99
+ ATOM 98 N ASN A 12 19.418 -0.931 0.630 1.00 0.00 N
100
+ ATOM 99 CA ASN A 12 18.877 -1.010 1.982 1.00 0.00 C
101
+ ATOM 100 C ASN A 12 18.513 -2.444 2.358 1.00 0.00 C
102
+ ATOM 101 CB ASN A 12 17.658 -0.098 2.127 1.00 0.00 C
103
+ ATOM 102 O ASN A 12 18.777 -2.882 3.478 1.00 0.00 O
104
+ ATOM 103 CG ASN A 12 18.027 1.372 2.139 1.00 0.00 C
105
+ ATOM 104 ND2 ASN A 12 17.117 2.216 1.663 1.00 0.00 N
106
+ ATOM 105 OD1 ASN A 12 19.119 1.748 2.571 1.00 0.00 O
107
+ ATOM 106 N LEU A 13 17.935 -3.162 1.425 1.00 0.00 N
108
+ ATOM 107 CA LEU A 13 17.430 -4.505 1.688 1.00 0.00 C
109
+ ATOM 108 C LEU A 13 18.576 -5.471 1.969 1.00 0.00 C
110
+ ATOM 109 CB LEU A 13 16.601 -5.008 0.503 1.00 0.00 C
111
+ ATOM 110 O LEU A 13 18.391 -6.476 2.661 1.00 0.00 O
112
+ ATOM 111 CG LEU A 13 15.204 -4.407 0.349 1.00 0.00 C
113
+ ATOM 112 CD1 LEU A 13 14.625 -4.753 -1.019 1.00 0.00 C
114
+ ATOM 113 CD2 LEU A 13 14.285 -4.897 1.464 1.00 0.00 C
115
+ ATOM 114 N LYS A 14 19.740 -5.186 1.533 1.00 0.00 N
116
+ ATOM 115 CA LYS A 14 20.925 -5.999 1.792 1.00 0.00 C
117
+ ATOM 116 C LYS A 14 21.371 -5.872 3.245 1.00 0.00 C
118
+ ATOM 117 CB LYS A 14 22.067 -5.595 0.857 1.00 0.00 C
119
+ ATOM 118 O LYS A 14 22.144 -6.698 3.738 1.00 0.00 O
120
+ ATOM 119 CG LYS A 14 21.828 -5.953 -0.603 1.00 0.00 C
121
+ ATOM 120 CD LYS A 14 22.980 -5.497 -1.487 1.00 0.00 C
122
+ ATOM 121 CE LYS A 14 22.715 -5.799 -2.955 1.00 0.00 C
123
+ ATOM 122 NZ LYS A 14 23.823 -5.312 -3.831 1.00 0.00 N
124
+ ATOM 123 N LEU A 15 20.821 -4.886 3.924 1.00 0.00 N
125
+ ATOM 124 CA LEU A 15 21.317 -4.554 5.256 1.00 0.00 C
126
+ ATOM 125 C LEU A 15 20.280 -4.892 6.321 1.00 0.00 C
127
+ ATOM 126 CB LEU A 15 21.683 -3.069 5.336 1.00 0.00 C
128
+ ATOM 127 O LEU A 15 20.511 -4.668 7.512 1.00 0.00 O
129
+ ATOM 128 CG LEU A 15 22.750 -2.581 4.355 1.00 0.00 C
130
+ ATOM 129 CD1 LEU A 15 22.909 -1.067 4.457 1.00 0.00 C
131
+ ATOM 130 CD2 LEU A 15 24.079 -3.282 4.616 1.00 0.00 C
132
+ ATOM 131 N ILE A 16 19.172 -5.388 5.901 1.00 0.00 N
133
+ ATOM 132 CA ILE A 16 18.104 -5.583 6.875 1.00 0.00 C
134
+ ATOM 133 C ILE A 16 17.687 -7.052 6.896 1.00 0.00 C
135
+ ATOM 134 CB ILE A 16 16.886 -4.684 6.565 1.00 0.00 C
136
+ ATOM 135 O ILE A 16 17.978 -7.801 5.961 1.00 0.00 O
137
+ ATOM 136 CG1 ILE A 16 16.273 -5.062 5.212 1.00 0.00 C
138
+ ATOM 137 CG2 ILE A 16 17.285 -3.206 6.593 1.00 0.00 C
139
+ ATOM 138 CD1 ILE A 16 14.969 -4.343 4.899 1.00 0.00 C
140
+ ATOM 139 N SER A 17 17.052 -7.373 7.974 1.00 0.00 N
141
+ ATOM 140 CA SER A 17 16.478 -8.704 8.145 1.00 0.00 C
142
+ ATOM 141 C SER A 17 14.967 -8.685 7.945 1.00 0.00 C
143
+ ATOM 142 CB SER A 17 16.810 -9.256 9.532 1.00 0.00 C
144
+ ATOM 143 O SER A 17 14.293 -7.736 8.353 1.00 0.00 O
145
+ ATOM 144 OG SER A 17 16.268 -8.428 10.547 1.00 0.00 O
146
+ ATOM 145 N VAL A 18 14.520 -9.770 7.343 1.00 0.00 N
147
+ ATOM 146 CA VAL A 18 13.108 -9.911 7.006 1.00 0.00 C
148
+ ATOM 147 C VAL A 18 12.561 -11.208 7.598 1.00 0.00 C
149
+ ATOM 148 CB VAL A 18 12.883 -9.887 5.478 1.00 0.00 C
150
+ ATOM 149 O VAL A 18 13.206 -12.256 7.513 1.00 0.00 O
151
+ ATOM 150 CG1 VAL A 18 11.409 -10.109 5.146 1.00 0.00 C
152
+ ATOM 151 CG2 VAL A 18 13.374 -8.566 4.888 1.00 0.00 C
153
+ ATOM 152 N SER A 19 11.445 -11.129 8.187 1.00 0.00 N
154
+ ATOM 153 CA SER A 19 10.720 -12.310 8.644 1.00 0.00 C
155
+ ATOM 154 C SER A 19 9.340 -12.396 7.999 1.00 0.00 C
156
+ ATOM 155 CB SER A 19 10.579 -12.297 10.167 1.00 0.00 C
157
+ ATOM 156 O SER A 19 8.657 -11.382 7.847 1.00 0.00 O
158
+ ATOM 157 OG SER A 19 11.849 -12.404 10.790 1.00 0.00 O
159
+ ATOM 158 N LEU A 20 8.986 -13.530 7.664 1.00 0.00 N
160
+ ATOM 159 CA LEU A 20 7.642 -13.845 7.192 1.00 0.00 C
161
+ ATOM 160 C LEU A 20 6.878 -14.658 8.232 1.00 0.00 C
162
+ ATOM 161 CB LEU A 20 7.705 -14.615 5.871 1.00 0.00 C
163
+ ATOM 162 O LEU A 20 7.247 -15.796 8.530 1.00 0.00 O
164
+ ATOM 163 CG LEU A 20 8.273 -13.857 4.670 1.00 0.00 C
165
+ ATOM 164 CD1 LEU A 20 9.797 -13.896 4.691 1.00 0.00 C
166
+ ATOM 165 CD2 LEU A 20 7.736 -14.438 3.367 1.00 0.00 C
167
+ ATOM 166 N VAL A 21 5.799 -14.209 8.727 1.00 0.00 N
168
+ ATOM 167 CA VAL A 21 5.036 -14.774 9.834 1.00 0.00 C
169
+ ATOM 168 C VAL A 21 4.202 -15.954 9.340 1.00 0.00 C
170
+ ATOM 169 CB VAL A 21 4.124 -13.717 10.494 1.00 0.00 C
171
+ ATOM 170 O VAL A 21 3.601 -15.889 8.265 1.00 0.00 O
172
+ ATOM 171 CG1 VAL A 21 3.208 -14.364 11.531 1.00 0.00 C
173
+ ATOM 172 CG2 VAL A 21 4.964 -12.614 11.135 1.00 0.00 C
174
+ ATOM 173 N ASP A 22 4.147 -16.989 10.144 1.00 0.00 N
175
+ ATOM 174 CA ASP A 22 3.423 -18.197 9.762 1.00 0.00 C
176
+ ATOM 175 C ASP A 22 1.997 -18.179 10.309 1.00 0.00 C
177
+ ATOM 176 CB ASP A 22 4.160 -19.444 10.257 1.00 0.00 C
178
+ ATOM 177 O ASP A 22 1.153 -18.972 9.886 1.00 0.00 O
179
+ ATOM 178 CG ASP A 22 3.756 -20.706 9.514 1.00 0.00 C
180
+ ATOM 179 OD1 ASP A 22 3.322 -20.613 8.346 1.00 0.00 O
181
+ ATOM 180 OD2 ASP A 22 3.871 -21.802 10.104 1.00 0.00 O
182
+ ATOM 181 N GLU A 23 1.617 -17.251 11.029 1.00 0.00 N
183
+ ATOM 182 CA GLU A 23 0.264 -17.108 11.557 1.00 0.00 C
184
+ ATOM 183 C GLU A 23 -0.672 -16.496 10.518 1.00 0.00 C
185
+ ATOM 184 CB GLU A 23 0.270 -16.254 12.827 1.00 0.00 C
186
+ ATOM 185 O GLU A 23 -0.288 -15.576 9.794 1.00 0.00 O
187
+ ATOM 186 CG GLU A 23 -1.041 -16.291 13.599 1.00 0.00 C
188
+ ATOM 187 CD GLU A 23 -0.991 -15.512 14.905 1.00 0.00 C
189
+ ATOM 188 OE1 GLU A 23 -2.064 -15.218 15.478 1.00 0.00 O
190
+ ATOM 189 OE2 GLU A 23 0.132 -15.195 15.357 1.00 0.00 O
191
+ ATOM 190 N PHE A 24 -1.872 -16.954 10.541 1.00 0.00 N
192
+ ATOM 191 CA PHE A 24 -2.881 -16.413 9.638 1.00 0.00 C
193
+ ATOM 192 C PHE A 24 -3.790 -15.431 10.367 1.00 0.00 C
194
+ ATOM 193 CB PHE A 24 -3.713 -17.542 9.021 1.00 0.00 C
195
+ ATOM 194 O PHE A 24 -4.045 -15.584 11.563 1.00 0.00 O
196
+ ATOM 195 CG PHE A 24 -3.000 -18.296 7.932 1.00 0.00 C
197
+ ATOM 196 CD1 PHE A 24 -2.998 -17.824 6.625 1.00 0.00 C
198
+ ATOM 197 CD2 PHE A 24 -2.330 -19.480 8.216 1.00 0.00 C
199
+ ATOM 198 CE1 PHE A 24 -2.338 -18.522 5.616 1.00 0.00 C
200
+ ATOM 199 CE2 PHE A 24 -1.668 -20.181 7.213 1.00 0.00 C
201
+ ATOM 200 CZ PHE A 24 -1.674 -19.702 5.913 1.00 0.00 C
202
+ ATOM 201 N PRO A 25 -4.220 -14.419 9.561 1.00 0.00 N
203
+ ATOM 202 CA PRO A 25 -5.336 -13.632 10.094 1.00 0.00 C
204
+ ATOM 203 C PRO A 25 -6.618 -14.449 10.237 1.00 0.00 C
205
+ ATOM 204 CB PRO A 25 -5.509 -12.521 9.057 1.00 0.00 C
206
+ ATOM 205 O PRO A 25 -6.653 -15.622 9.859 1.00 0.00 O
207
+ ATOM 206 CG PRO A 25 -5.053 -13.125 7.769 1.00 0.00 C
208
+ ATOM 207 CD PRO A 25 -3.973 -14.126 8.067 1.00 0.00 C
209
+ ATOM 208 N SER A 26 -7.639 -13.844 10.810 1.00 0.00 N
210
+ ATOM 209 CA SER A 26 -8.925 -14.504 11.013 1.00 0.00 C
211
+ ATOM 210 C SER A 26 -9.716 -14.588 9.712 1.00 0.00 C
212
+ ATOM 211 CB SER A 26 -9.745 -13.765 12.071 1.00 0.00 C
213
+ ATOM 212 O SER A 26 -9.578 -13.729 8.840 1.00 0.00 O
214
+ ATOM 213 OG SER A 26 -9.027 -13.672 13.291 1.00 0.00 O
215
+ ATOM 214 N GLU A 27 -10.457 -15.635 9.547 1.00 0.00 N
216
+ ATOM 215 CA GLU A 27 -11.505 -15.754 8.537 1.00 0.00 C
217
+ ATOM 216 C GLU A 27 -10.914 -16.022 7.156 1.00 0.00 C
218
+ ATOM 217 CB GLU A 27 -12.366 -14.489 8.504 1.00 0.00 C
219
+ ATOM 218 O GLU A 27 -11.222 -15.315 6.195 1.00 0.00 O
220
+ ATOM 219 CG GLU A 27 -13.071 -14.189 9.819 1.00 0.00 C
221
+ ATOM 220 CD GLU A 27 -14.086 -13.063 9.714 1.00 0.00 C
222
+ ATOM 221 OE1 GLU A 27 -14.879 -12.869 10.663 1.00 0.00 O
223
+ ATOM 222 OE2 GLU A 27 -14.090 -12.369 8.672 1.00 0.00 O
224
+ ATOM 223 N LEU A 28 -10.093 -16.958 6.960 1.00 0.00 N
225
+ ATOM 224 CA LEU A 28 -9.580 -17.410 5.671 1.00 0.00 C
226
+ ATOM 225 C LEU A 28 -9.977 -18.857 5.406 1.00 0.00 C
227
+ ATOM 226 CB LEU A 28 -8.056 -17.270 5.622 1.00 0.00 C
228
+ ATOM 227 O LEU A 28 -9.930 -19.695 6.310 1.00 0.00 O
229
+ ATOM 228 CG LEU A 28 -7.508 -15.845 5.534 1.00 0.00 C
230
+ ATOM 229 CD1 LEU A 28 -5.991 -15.849 5.683 1.00 0.00 C
231
+ ATOM 230 CD2 LEU A 28 -7.920 -15.193 4.219 1.00 0.00 C
232
+ ATOM 231 N SER A 29 -10.412 -19.054 4.317 1.00 0.00 N
233
+ ATOM 232 CA SER A 29 -10.690 -20.426 3.903 1.00 0.00 C
234
+ ATOM 233 C SER A 29 -9.405 -21.240 3.792 1.00 0.00 C
235
+ ATOM 234 CB SER A 29 -11.432 -20.444 2.566 1.00 0.00 C
236
+ ATOM 235 O SER A 29 -8.311 -20.676 3.717 1.00 0.00 O
237
+ ATOM 236 OG SER A 29 -10.576 -20.040 1.511 1.00 0.00 O
238
+ ATOM 237 N ASP A 30 -9.520 -22.547 3.756 1.00 0.00 N
239
+ ATOM 238 CA ASP A 30 -8.365 -23.427 3.611 1.00 0.00 C
240
+ ATOM 239 C ASP A 30 -7.684 -23.219 2.260 1.00 0.00 C
241
+ ATOM 240 CB ASP A 30 -8.782 -24.890 3.770 1.00 0.00 C
242
+ ATOM 241 O ASP A 30 -6.455 -23.256 2.167 1.00 0.00 O
243
+ ATOM 242 CG ASP A 30 -9.107 -25.261 5.207 1.00 0.00 C
244
+ ATOM 243 OD1 ASP A 30 -8.680 -24.540 6.134 1.00 0.00 O
245
+ ATOM 244 OD2 ASP A 30 -9.793 -26.285 5.412 1.00 0.00 O
246
+ ATOM 245 N SER A 31 -8.506 -23.064 1.292 1.00 0.00 N
247
+ ATOM 246 CA SER A 31 -7.966 -22.812 -0.041 1.00 0.00 C
248
+ ATOM 247 C SER A 31 -7.167 -21.514 -0.077 1.00 0.00 C
249
+ ATOM 248 CB SER A 31 -9.093 -22.754 -1.074 1.00 0.00 C
250
+ ATOM 249 O SER A 31 -6.066 -21.472 -0.628 1.00 0.00 O
251
+ ATOM 250 OG SER A 31 -10.019 -21.731 -0.752 1.00 0.00 O
252
+ ATOM 251 N ASP A 32 -7.682 -20.499 0.426 1.00 0.00 N
253
+ ATOM 252 CA ASP A 32 -6.992 -19.214 0.488 1.00 0.00 C
254
+ ATOM 253 C ASP A 32 -5.694 -19.325 1.287 1.00 0.00 C
255
+ ATOM 254 CB ASP A 32 -7.899 -18.147 1.104 1.00 0.00 C
256
+ ATOM 255 O ASP A 32 -4.676 -18.743 0.909 1.00 0.00 O
257
+ ATOM 256 CG ASP A 32 -9.047 -17.747 0.195 1.00 0.00 C
258
+ ATOM 257 OD1 ASP A 32 -8.914 -17.863 -1.043 1.00 0.00 O
259
+ ATOM 258 OD2 ASP A 32 -10.093 -17.308 0.719 1.00 0.00 O
260
+ ATOM 259 N ARG A 33 -5.745 -20.037 2.366 1.00 0.00 N
261
+ ATOM 260 CA ARG A 33 -4.569 -20.249 3.203 1.00 0.00 C
262
+ ATOM 261 C ARG A 33 -3.454 -20.933 2.419 1.00 0.00 C
263
+ ATOM 262 CB ARG A 33 -4.928 -21.080 4.437 1.00 0.00 C
264
+ ATOM 263 O ARG A 33 -2.285 -20.561 2.538 1.00 0.00 O
265
+ ATOM 264 CG ARG A 33 -5.751 -20.326 5.470 1.00 0.00 C
266
+ ATOM 265 CD ARG A 33 -6.095 -21.203 6.666 1.00 0.00 C
267
+ ATOM 266 NE ARG A 33 -6.874 -20.473 7.662 1.00 0.00 N
268
+ ATOM 267 NH1 ARG A 33 -6.442 -21.951 9.384 1.00 0.00 N
269
+ ATOM 268 NH2 ARG A 33 -7.751 -20.107 9.753 1.00 0.00 N
270
+ ATOM 269 CZ ARG A 33 -7.020 -20.846 8.931 1.00 0.00 C
271
+ ATOM 270 N GLN A 34 -3.761 -21.838 1.652 1.00 0.00 N
272
+ ATOM 271 CA GLN A 34 -2.786 -22.550 0.833 1.00 0.00 C
273
+ ATOM 272 C GLN A 34 -2.142 -21.620 -0.191 1.00 0.00 C
274
+ ATOM 273 CB GLN A 34 -3.441 -23.737 0.125 1.00 0.00 C
275
+ ATOM 274 O GLN A 34 -0.920 -21.621 -0.358 1.00 0.00 O
276
+ ATOM 275 CG GLN A 34 -2.460 -24.619 -0.633 1.00 0.00 C
277
+ ATOM 276 CD GLN A 34 -3.117 -25.852 -1.227 1.00 0.00 C
278
+ ATOM 277 NE2 GLN A 34 -2.341 -26.643 -1.960 1.00 0.00 N
279
+ ATOM 278 OE1 GLN A 34 -4.312 -26.091 -1.029 1.00 0.00 O
280
+ ATOM 279 N ILE A 35 -2.941 -20.886 -0.850 1.00 0.00 N
281
+ ATOM 280 CA ILE A 35 -2.454 -19.937 -1.845 1.00 0.00 C
282
+ ATOM 281 C ILE A 35 -1.517 -18.929 -1.181 1.00 0.00 C
283
+ ATOM 282 CB ILE A 35 -3.620 -19.202 -2.544 1.00 0.00 C
284
+ ATOM 283 O ILE A 35 -0.435 -18.645 -1.701 1.00 0.00 O
285
+ ATOM 284 CG1 ILE A 35 -4.414 -20.177 -3.422 1.00 0.00 C
286
+ ATOM 285 CG2 ILE A 35 -3.097 -18.023 -3.371 1.00 0.00 C
287
+ ATOM 286 CD1 ILE A 35 -5.741 -19.621 -3.920 1.00 0.00 C
288
+ ATOM 287 N ILE A 36 -1.936 -18.445 -0.077 1.00 0.00 N
289
+ ATOM 288 CA ILE A 36 -1.133 -17.466 0.647 1.00 0.00 C
290
+ ATOM 289 C ILE A 36 0.190 -18.097 1.075 1.00 0.00 C
291
+ ATOM 290 CB ILE A 36 -1.887 -16.915 1.879 1.00 0.00 C
292
+ ATOM 291 O ILE A 36 1.249 -17.477 0.954 1.00 0.00 O
293
+ ATOM 292 CG1 ILE A 36 -3.005 -15.963 1.439 1.00 0.00 C
294
+ ATOM 293 CG2 ILE A 36 -0.917 -16.217 2.838 1.00 0.00 C
295
+ ATOM 294 CD1 ILE A 36 -3.971 -15.585 2.554 1.00 0.00 C
296
+ ATOM 295 N ASN A 37 0.177 -19.301 1.546 1.00 0.00 N
297
+ ATOM 296 CA ASN A 37 1.402 -19.995 1.924 1.00 0.00 C
298
+ ATOM 297 C ASN A 37 2.351 -20.145 0.738 1.00 0.00 C
299
+ ATOM 298 CB ASN A 37 1.080 -21.366 2.523 1.00 0.00 C
300
+ ATOM 299 O ASN A 37 3.557 -19.928 0.871 1.00 0.00 O
301
+ ATOM 300 CG ASN A 37 0.786 -21.299 4.009 1.00 0.00 C
302
+ ATOM 301 ND2 ASN A 37 0.148 -22.339 4.534 1.00 0.00 N
303
+ ATOM 302 OD1 ASN A 37 1.129 -20.322 4.679 1.00 0.00 O
304
+ ATOM 303 N GLU A 38 1.869 -20.450 -0.378 1.00 0.00 N
305
+ ATOM 304 CA GLU A 38 2.677 -20.587 -1.587 1.00 0.00 C
306
+ ATOM 305 C GLU A 38 3.304 -19.254 -1.984 1.00 0.00 C
307
+ ATOM 306 CB GLU A 38 1.832 -21.135 -2.739 1.00 0.00 C
308
+ ATOM 307 O GLU A 38 4.491 -19.193 -2.311 1.00 0.00 O
309
+ ATOM 308 CG GLU A 38 1.437 -22.595 -2.572 1.00 0.00 C
310
+ ATOM 309 CD GLU A 38 0.432 -23.068 -3.611 1.00 0.00 C
311
+ ATOM 310 OE1 GLU A 38 -0.013 -24.236 -3.536 1.00 0.00 O
312
+ ATOM 311 OE2 GLU A 38 0.091 -22.265 -4.509 1.00 0.00 O
313
+ ATOM 312 N LYS A 39 2.516 -18.285 -1.965 1.00 0.00 N
314
+ ATOM 313 CA LYS A 39 3.000 -16.956 -2.328 1.00 0.00 C
315
+ ATOM 314 C LYS A 39 3.995 -16.434 -1.294 1.00 0.00 C
316
+ ATOM 315 CB LYS A 39 1.832 -15.980 -2.471 1.00 0.00 C
317
+ ATOM 316 O LYS A 39 4.955 -15.744 -1.644 1.00 0.00 O
318
+ ATOM 317 CG LYS A 39 0.983 -16.209 -3.713 1.00 0.00 C
319
+ ATOM 318 CD LYS A 39 -0.094 -15.141 -3.858 1.00 0.00 C
320
+ ATOM 319 CE LYS A 39 -0.899 -15.329 -5.137 1.00 0.00 C
321
+ ATOM 320 NZ LYS A 39 -1.932 -14.262 -5.303 1.00 0.00 N
322
+ ATOM 321 N MET A 40 3.757 -16.726 -0.029 1.00 0.00 N
323
+ ATOM 322 CA MET A 40 4.693 -16.358 1.029 1.00 0.00 C
324
+ ATOM 323 C MET A 40 6.052 -17.017 0.807 1.00 0.00 C
325
+ ATOM 324 CB MET A 40 4.139 -16.752 2.400 1.00 0.00 C
326
+ ATOM 325 O MET A 40 7.092 -16.401 1.049 1.00 0.00 O
327
+ ATOM 326 CG MET A 40 3.035 -15.835 2.901 1.00 0.00 C
328
+ ATOM 327 SD MET A 40 3.648 -14.152 3.302 1.00 0.00 S
329
+ ATOM 328 CE MET A 40 4.419 -14.469 4.914 1.00 0.00 C
330
+ ATOM 329 N GLN A 41 6.034 -18.229 0.367 1.00 0.00 N
331
+ ATOM 330 CA GLN A 41 7.284 -18.912 0.052 1.00 0.00 C
332
+ ATOM 331 C GLN A 41 8.003 -18.232 -1.110 1.00 0.00 C
333
+ ATOM 332 CB GLN A 41 7.024 -20.382 -0.279 1.00 0.00 C
334
+ ATOM 333 O GLN A 41 9.224 -18.069 -1.080 1.00 0.00 O
335
+ ATOM 334 CG GLN A 41 8.292 -21.214 -0.415 1.00 0.00 C
336
+ ATOM 335 CD GLN A 41 9.155 -21.178 0.832 1.00 0.00 C
337
+ ATOM 336 NE2 GLN A 41 10.453 -20.955 0.650 1.00 0.00 N
338
+ ATOM 337 OE1 GLN A 41 8.660 -21.349 1.951 1.00 0.00 O
339
+ ATOM 338 N LEU A 42 7.301 -17.853 -2.086 1.00 0.00 N
340
+ ATOM 339 CA LEU A 42 7.873 -17.130 -3.216 1.00 0.00 C
341
+ ATOM 340 C LEU A 42 8.469 -15.801 -2.765 1.00 0.00 C
342
+ ATOM 341 CB LEU A 42 6.810 -16.886 -4.291 1.00 0.00 C
343
+ ATOM 342 O LEU A 42 9.567 -15.432 -3.189 1.00 0.00 O
344
+ ATOM 343 CG LEU A 42 6.295 -18.124 -5.027 1.00 0.00 C
345
+ ATOM 344 CD1 LEU A 42 5.139 -17.749 -5.949 1.00 0.00 C
346
+ ATOM 345 CD2 LEU A 42 7.420 -18.787 -5.813 1.00 0.00 C
347
+ ATOM 346 N LEU A 43 7.744 -15.139 -1.952 1.00 0.00 N
348
+ ATOM 347 CA LEU A 43 8.241 -13.887 -1.391 1.00 0.00 C
349
+ ATOM 348 C LEU A 43 9.534 -14.115 -0.617 1.00 0.00 C
350
+ ATOM 349 CB LEU A 43 7.189 -13.255 -0.476 1.00 0.00 C
351
+ ATOM 350 O LEU A 43 10.480 -13.331 -0.734 1.00 0.00 O
352
+ ATOM 351 CG LEU A 43 5.982 -12.620 -1.168 1.00 0.00 C
353
+ ATOM 352 CD1 LEU A 43 4.942 -12.195 -0.136 1.00 0.00 C
354
+ ATOM 353 CD2 LEU A 43 6.415 -11.432 -2.019 1.00 0.00 C
355
+ ATOM 354 N LYS A 44 9.514 -15.123 0.141 1.00 0.00 N
356
+ ATOM 355 CA LYS A 44 10.715 -15.476 0.893 1.00 0.00 C
357
+ ATOM 356 C LYS A 44 11.905 -15.684 -0.039 1.00 0.00 C
358
+ ATOM 357 CB LYS A 44 10.476 -16.735 1.728 1.00 0.00 C
359
+ ATOM 358 O LYS A 44 12.998 -15.175 0.218 1.00 0.00 O
360
+ ATOM 359 CG LYS A 44 11.634 -17.098 2.646 1.00 0.00 C
361
+ ATOM 360 CD LYS A 44 11.326 -18.344 3.468 1.00 0.00 C
362
+ ATOM 361 CE LYS A 44 12.504 -18.738 4.348 1.00 0.00 C
363
+ ATOM 362 NZ LYS A 44 12.203 -19.952 5.164 1.00 0.00 N
364
+ ATOM 363 N ASP A 45 11.738 -16.337 -1.094 1.00 0.00 N
365
+ ATOM 364 CA ASP A 45 12.779 -16.610 -2.080 1.00 0.00 C
366
+ ATOM 365 C ASP A 45 13.265 -15.321 -2.738 1.00 0.00 C
367
+ ATOM 366 CB ASP A 45 12.269 -17.584 -3.144 1.00 0.00 C
368
+ ATOM 367 O ASP A 45 14.467 -15.131 -2.932 1.00 0.00 O
369
+ ATOM 368 CG ASP A 45 12.083 -18.996 -2.616 1.00 0.00 C
370
+ ATOM 369 OD1 ASP A 45 12.624 -19.320 -1.537 1.00 0.00 O
371
+ ATOM 370 OD2 ASP A 45 11.391 -19.792 -3.286 1.00 0.00 O
372
+ ATOM 371 N ILE A 46 12.348 -14.500 -3.110 1.00 0.00 N
373
+ ATOM 372 CA ILE A 46 12.677 -13.226 -3.741 1.00 0.00 C
374
+ ATOM 373 C ILE A 46 13.526 -12.384 -2.791 1.00 0.00 C
375
+ ATOM 374 CB ILE A 46 11.404 -12.454 -4.151 1.00 0.00 C
376
+ ATOM 375 O ILE A 46 14.569 -11.858 -3.183 1.00 0.00 O
377
+ ATOM 376 CG1 ILE A 46 10.748 -13.113 -5.370 1.00 0.00 C
378
+ ATOM 377 CG2 ILE A 46 11.732 -10.984 -4.434 1.00 0.00 C
379
+ ATOM 378 CD1 ILE A 46 9.335 -12.622 -5.654 1.00 0.00 C
380
+ ATOM 379 N PHE A 47 13.122 -12.263 -1.527 1.00 0.00 N
381
+ ATOM 380 CA PHE A 47 13.863 -11.476 -0.548 1.00 0.00 C
382
+ ATOM 381 C PHE A 47 15.246 -12.070 -0.311 1.00 0.00 C
383
+ ATOM 382 CB PHE A 47 13.093 -11.396 0.774 1.00 0.00 C
384
+ ATOM 383 O PHE A 47 16.238 -11.340 -0.242 1.00 0.00 O
385
+ ATOM 384 CG PHE A 47 12.124 -10.247 0.843 1.00 0.00 C
386
+ ATOM 385 CD1 PHE A 47 12.555 -8.974 1.196 1.00 0.00 C
387
+ ATOM 386 CD2 PHE A 47 10.779 -10.440 0.554 1.00 0.00 C
388
+ ATOM 387 CE1 PHE A 47 11.660 -7.909 1.260 1.00 0.00 C
389
+ ATOM 388 CE2 PHE A 47 9.878 -9.380 0.615 1.00 0.00 C
390
+ ATOM 389 CZ PHE A 47 10.321 -8.116 0.970 1.00 0.00 C
391
+ ATOM 390 N ALA A 48 15.312 -13.367 -0.283 1.00 0.00 N
392
+ ATOM 391 CA ALA A 48 16.572 -14.050 0.003 1.00 0.00 C
393
+ ATOM 392 C ALA A 48 17.498 -14.022 -1.209 1.00 0.00 C
394
+ ATOM 393 CB ALA A 48 16.309 -15.491 0.435 1.00 0.00 C
395
+ ATOM 394 O ALA A 48 18.663 -13.633 -1.098 1.00 0.00 O
396
+ ATOM 395 N ASN A 49 17.049 -14.308 -2.308 1.00 0.00 N
397
+ ATOM 396 CA ASN A 49 17.894 -14.622 -3.455 1.00 0.00 C
398
+ ATOM 397 C ASN A 49 18.030 -13.427 -4.395 1.00 0.00 C
399
+ ATOM 398 CB ASN A 49 17.344 -15.833 -4.212 1.00 0.00 C
400
+ ATOM 399 O ASN A 49 19.101 -13.192 -4.957 1.00 0.00 O
401
+ ATOM 400 CG ASN A 49 17.397 -17.107 -3.393 1.00 0.00 C
402
+ ATOM 401 ND2 ASN A 49 16.393 -17.959 -3.556 1.00 0.00 N
403
+ ATOM 402 OD1 ASN A 49 18.334 -17.323 -2.620 1.00 0.00 O
404
+ ATOM 403 N ASN A 50 16.969 -12.730 -4.576 1.00 0.00 N
405
+ ATOM 404 CA ASN A 50 16.985 -11.615 -5.518 1.00 0.00 C
406
+ ATOM 405 C ASN A 50 17.330 -10.300 -4.825 1.00 0.00 C
407
+ ATOM 406 CB ASN A 50 15.639 -11.500 -6.236 1.00 0.00 C
408
+ ATOM 407 O ASN A 50 18.123 -9.511 -5.341 1.00 0.00 O
409
+ ATOM 408 CG ASN A 50 15.304 -12.734 -7.051 1.00 0.00 C
410
+ ATOM 409 ND2 ASN A 50 15.744 -12.755 -8.303 1.00 0.00 N
411
+ ATOM 410 OD1 ASN A 50 14.654 -13.659 -6.559 1.00 0.00 O
412
+ ATOM 411 N LEU A 51 16.776 -10.106 -3.698 1.00 0.00 N
413
+ ATOM 412 CA LEU A 51 16.948 -8.836 -3.001 1.00 0.00 C
414
+ ATOM 413 C LEU A 51 18.074 -8.926 -1.977 1.00 0.00 C
415
+ ATOM 414 CB LEU A 51 15.645 -8.424 -2.309 1.00 0.00 C
416
+ ATOM 415 O LEU A 51 18.539 -7.904 -1.466 1.00 0.00 O
417
+ ATOM 416 CG LEU A 51 14.439 -8.189 -3.219 1.00 0.00 C
418
+ ATOM 417 CD1 LEU A 51 13.209 -7.836 -2.389 1.00 0.00 C
419
+ ATOM 418 CD2 LEU A 51 14.740 -7.090 -4.233 1.00 0.00 C
420
+ ATOM 419 N LYS A 52 18.478 -10.202 -1.614 1.00 0.00 N
421
+ ATOM 420 CA LYS A 52 19.654 -10.496 -0.802 1.00 0.00 C
422
+ ATOM 421 C LYS A 52 19.467 -10.013 0.634 1.00 0.00 C
423
+ ATOM 422 CB LYS A 52 20.902 -9.855 -1.412 1.00 0.00 C
424
+ ATOM 423 O LYS A 52 20.423 -9.570 1.274 1.00 0.00 O
425
+ ATOM 424 CG LYS A 52 21.195 -10.305 -2.836 1.00 0.00 C
426
+ ATOM 425 CD LYS A 52 21.344 -11.818 -2.926 1.00 0.00 C
427
+ ATOM 426 CE LYS A 52 21.723 -12.261 -4.333 1.00 0.00 C
428
+ ATOM 427 NZ LYS A 52 21.679 -13.747 -4.476 1.00 0.00 N
429
+ ATOM 428 N SER A 53 18.280 -9.996 1.141 1.00 0.00 N
430
+ ATOM 429 CA SER A 53 17.986 -9.746 2.549 1.00 0.00 C
431
+ ATOM 430 C SER A 53 18.259 -10.983 3.398 1.00 0.00 C
432
+ ATOM 431 CB SER A 53 16.532 -9.307 2.724 1.00 0.00 C
433
+ ATOM 432 O SER A 53 18.173 -12.110 2.907 1.00 0.00 O
434
+ ATOM 433 OG SER A 53 16.274 -8.120 1.993 1.00 0.00 O
435
+ ATOM 434 N ALA A 54 18.594 -10.698 4.559 1.00 0.00 N
436
+ ATOM 435 CA ALA A 54 18.646 -11.790 5.528 1.00 0.00 C
437
+ ATOM 436 C ALA A 54 17.243 -12.231 5.934 1.00 0.00 C
438
+ ATOM 437 CB ALA A 54 19.447 -11.370 6.759 1.00 0.00 C
439
+ ATOM 438 O ALA A 54 16.416 -11.404 6.326 1.00 0.00 O
440
+ ATOM 439 N ILE A 55 16.994 -13.511 5.844 1.00 0.00 N
441
+ ATOM 440 CA ILE A 55 15.719 -14.060 6.291 1.00 0.00 C
442
+ ATOM 441 C ILE A 55 15.839 -14.533 7.738 1.00 0.00 C
443
+ ATOM 442 CB ILE A 55 15.255 -15.222 5.385 1.00 0.00 C
444
+ ATOM 443 O ILE A 55 16.677 -15.381 8.053 1.00 0.00 O
445
+ ATOM 444 CG1 ILE A 55 15.146 -14.753 3.929 1.00 0.00 C
446
+ ATOM 445 CG2 ILE A 55 13.922 -15.793 5.877 1.00 0.00 C
447
+ ATOM 446 CD1 ILE A 55 14.213 -13.567 3.729 1.00 0.00 C
448
+ ATOM 447 N SER A 56 14.966 -14.010 8.583 1.00 0.00 N
449
+ ATOM 448 CA SER A 56 14.960 -14.337 10.005 1.00 0.00 C
450
+ ATOM 449 C SER A 56 13.769 -15.219 10.363 1.00 0.00 C
451
+ ATOM 450 CB SER A 56 14.934 -13.062 10.849 1.00 0.00 C
452
+ ATOM 451 O SER A 56 12.656 -14.995 9.881 1.00 0.00 O
453
+ ATOM 452 OG SER A 56 14.912 -13.375 12.231 1.00 0.00 O
454
+ ATOM 453 N ASN A 57 13.955 -16.154 11.207 1.00 0.00 N
455
+ ATOM 454 CA ASN A 57 12.881 -16.996 11.722 1.00 0.00 C
456
+ ATOM 455 C ASN A 57 12.255 -16.400 12.980 1.00 0.00 C
457
+ ATOM 456 CB ASN A 57 13.394 -18.409 12.003 1.00 0.00 C
458
+ ATOM 457 O ASN A 57 11.254 -16.914 13.484 1.00 0.00 O
459
+ ATOM 458 CG ASN A 57 13.766 -19.158 10.737 1.00 0.00 C
460
+ ATOM 459 ND2 ASN A 57 14.794 -19.994 10.824 1.00 0.00 N
461
+ ATOM 460 OD1 ASN A 57 13.135 -18.985 9.692 1.00 0.00 O
462
+ ATOM 461 N ASN A 58 12.933 -15.391 13.473 1.00 0.00 N
463
+ ATOM 462 CA ASN A 58 12.450 -14.661 14.640 1.00 0.00 C
464
+ ATOM 463 C ASN A 58 12.014 -13.245 14.276 1.00 0.00 C
465
+ ATOM 464 CB ASN A 58 13.522 -14.623 15.731 1.00 0.00 C
466
+ ATOM 465 O ASN A 58 12.851 -12.351 14.133 1.00 0.00 O
467
+ ATOM 466 CG ASN A 58 13.028 -13.981 17.013 1.00 0.00 C
468
+ ATOM 467 ND2 ASN A 58 13.870 -13.982 18.040 1.00 0.00 N
469
+ ATOM 468 OD1 ASN A 58 11.899 -13.488 17.080 1.00 0.00 O
470
+ ATOM 469 N PHE A 59 10.751 -13.058 14.255 1.00 0.00 N
471
+ ATOM 470 CA PHE A 59 10.230 -11.772 13.808 1.00 0.00 C
472
+ ATOM 471 C PHE A 59 10.519 -10.684 14.835 1.00 0.00 C
473
+ ATOM 472 CB PHE A 59 8.722 -11.862 13.549 1.00 0.00 C
474
+ ATOM 473 O PHE A 59 10.546 -9.498 14.500 1.00 0.00 O
475
+ ATOM 474 CG PHE A 59 7.915 -12.198 14.772 1.00 0.00 C
476
+ ATOM 475 CD1 PHE A 59 7.490 -13.501 15.005 1.00 0.00 C
477
+ ATOM 476 CD2 PHE A 59 7.580 -11.212 15.691 1.00 0.00 C
478
+ ATOM 477 CE1 PHE A 59 6.742 -13.816 16.138 1.00 0.00 C
479
+ ATOM 478 CE2 PHE A 59 6.833 -11.520 16.825 1.00 0.00 C
480
+ ATOM 479 CZ PHE A 59 6.414 -12.822 17.046 1.00 0.00 C
481
+ ATOM 480 N ARG A 60 10.811 -10.965 15.991 1.00 0.00 N
482
+ ATOM 481 CA ARG A 60 11.071 -9.978 17.035 1.00 0.00 C
483
+ ATOM 482 C ARG A 60 12.415 -9.291 16.816 1.00 0.00 C
484
+ ATOM 483 CB ARG A 60 11.036 -10.635 18.416 1.00 0.00 C
485
+ ATOM 484 O ARG A 60 12.681 -8.238 17.398 1.00 0.00 O
486
+ ATOM 485 CG ARG A 60 9.655 -11.112 18.837 1.00 0.00 C
487
+ ATOM 486 CD ARG A 60 9.671 -11.723 20.232 1.00 0.00 C
488
+ ATOM 487 NE ARG A 60 8.321 -12.009 20.710 1.00 0.00 N
489
+ ATOM 488 NH1 ARG A 60 8.680 -11.193 22.841 1.00 0.00 N
490
+ ATOM 489 NH2 ARG A 60 6.633 -12.052 22.267 1.00 0.00 N
491
+ ATOM 490 CZ ARG A 60 7.881 -11.750 21.939 1.00 0.00 C
492
+ ATOM 491 N GLU A 61 13.216 -9.746 15.976 1.00 0.00 N
493
+ ATOM 492 CA GLU A 61 14.544 -9.202 15.708 1.00 0.00 C
494
+ ATOM 493 C GLU A 61 14.657 -8.706 14.270 1.00 0.00 C
495
+ ATOM 494 CB GLU A 61 15.622 -10.251 15.989 1.00 0.00 C
496
+ ATOM 495 O GLU A 61 15.750 -8.371 13.806 1.00 0.00 O
497
+ ATOM 496 CG GLU A 61 15.696 -10.682 17.447 1.00 0.00 C
498
+ ATOM 497 CD GLU A 61 16.719 -11.779 17.697 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 61 16.931 -12.153 18.873 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 61 17.313 -12.267 16.710 1.00 0.00 O
501
+ ATOM 500 N SER A 62 13.654 -8.757 13.677 1.00 0.00 N
502
+ ATOM 501 CA SER A 62 13.665 -8.431 12.255 1.00 0.00 C
503
+ ATOM 502 C SER A 62 13.339 -6.961 12.022 1.00 0.00 C
504
+ ATOM 503 CB SER A 62 12.668 -9.309 11.496 1.00 0.00 C
505
+ ATOM 504 O SER A 62 12.583 -6.358 12.787 1.00 0.00 O
506
+ ATOM 505 OG SER A 62 13.065 -10.669 11.535 1.00 0.00 O
507
+ ATOM 506 N ASP A 63 13.806 -6.444 10.974 1.00 0.00 N
508
+ ATOM 507 CA ASP A 63 13.542 -5.071 10.557 1.00 0.00 C
509
+ ATOM 508 C ASP A 63 12.204 -4.965 9.829 1.00 0.00 C
510
+ ATOM 509 CB ASP A 63 14.671 -4.557 9.660 1.00 0.00 C
511
+ ATOM 510 O ASP A 63 11.483 -3.977 9.984 1.00 0.00 O
512
+ ATOM 511 CG ASP A 63 16.022 -4.550 10.352 1.00 0.00 C
513
+ ATOM 512 OD1 ASP A 63 16.223 -3.748 11.289 1.00 0.00 O
514
+ ATOM 513 OD2 ASP A 63 16.894 -5.352 9.955 1.00 0.00 O
515
+ ATOM 514 N ILE A 64 11.905 -5.933 9.061 1.00 0.00 N
516
+ ATOM 515 CA ILE A 64 10.636 -6.020 8.346 1.00 0.00 C
517
+ ATOM 516 C ILE A 64 9.952 -7.346 8.670 1.00 0.00 C
518
+ ATOM 517 CB ILE A 64 10.834 -5.878 6.821 1.00 0.00 C
519
+ ATOM 518 O ILE A 64 10.559 -8.412 8.543 1.00 0.00 O
520
+ ATOM 519 CG1 ILE A 64 11.393 -4.491 6.482 1.00 0.00 C
521
+ ATOM 520 CG2 ILE A 64 9.520 -6.136 6.079 1.00 0.00 C
522
+ ATOM 521 CD1 ILE A 64 11.705 -4.293 5.004 1.00 0.00 C
523
+ ATOM 522 N ILE A 65 8.779 -7.233 9.000 1.00 0.00 N
524
+ ATOM 523 CA ILE A 65 7.933 -8.377 9.321 1.00 0.00 C
525
+ ATOM 524 C ILE A 65 6.762 -8.444 8.343 1.00 0.00 C
526
+ ATOM 525 CB ILE A 65 7.415 -8.307 10.774 1.00 0.00 C
527
+ ATOM 526 O ILE A 65 5.911 -7.552 8.322 1.00 0.00 O
528
+ ATOM 527 CG1 ILE A 65 8.588 -8.192 11.755 1.00 0.00 C
529
+ ATOM 528 CG2 ILE A 65 6.548 -9.528 11.099 1.00 0.00 C
530
+ ATOM 529 CD1 ILE A 65 8.185 -7.738 13.151 1.00 0.00 C
531
+ ATOM 530 N ILE A 66 6.689 -9.526 7.648 1.00 0.00 N
532
+ ATOM 531 CA ILE A 66 5.675 -9.694 6.613 1.00 0.00 C
533
+ ATOM 532 C ILE A 66 4.546 -10.579 7.137 1.00 0.00 C
534
+ ATOM 533 CB ILE A 66 6.276 -10.298 5.325 1.00 0.00 C
535
+ ATOM 534 O ILE A 66 4.776 -11.729 7.519 1.00 0.00 O
536
+ ATOM 535 CG1 ILE A 66 7.366 -9.378 4.762 1.00 0.00 C
537
+ ATOM 536 CG2 ILE A 66 5.181 -10.549 4.284 1.00 0.00 C
538
+ ATOM 537 CD1 ILE A 66 8.147 -9.983 3.603 1.00 0.00 C
539
+ ATOM 538 N LEU A 67 3.405 -10.077 7.047 1.00 0.00 N
540
+ ATOM 539 CA LEU A 67 2.196 -10.729 7.539 1.00 0.00 C
541
+ ATOM 540 C LEU A 67 1.419 -11.368 6.392 1.00 0.00 C
542
+ ATOM 541 CB LEU A 67 1.307 -9.725 8.277 1.00 0.00 C
543
+ ATOM 542 O LEU A 67 1.510 -10.918 5.248 1.00 0.00 O
544
+ ATOM 543 CG LEU A 67 1.992 -8.865 9.339 1.00 0.00 C
545
+ ATOM 544 CD1 LEU A 67 1.003 -7.869 9.934 1.00 0.00 C
546
+ ATOM 545 CD2 LEU A 67 2.598 -9.742 10.429 1.00 0.00 C
547
+ ATOM 546 N LYS A 68 0.664 -12.292 6.625 1.00 0.00 N
548
+ ATOM 547 CA LYS A 68 -0.166 -12.989 5.647 1.00 0.00 C
549
+ ATOM 548 C LYS A 68 -1.455 -12.218 5.371 1.00 0.00 C
550
+ ATOM 549 CB LYS A 68 -0.495 -14.402 6.131 1.00 0.00 C
551
+ ATOM 550 O LYS A 68 -2.228 -12.589 4.486 1.00 0.00 O
552
+ ATOM 551 CG LYS A 68 0.659 -15.384 6.003 1.00 0.00 C
553
+ ATOM 552 CD LYS A 68 0.290 -16.755 6.554 1.00 0.00 C
554
+ ATOM 553 CE LYS A 68 1.404 -17.770 6.325 1.00 0.00 C
555
+ ATOM 554 NZ LYS A 68 1.085 -19.092 6.942 1.00 0.00 N
556
+ ATOM 555 N GLY A 69 -1.661 -11.172 6.119 1.00 0.00 N
557
+ ATOM 556 CA GLY A 69 -2.803 -10.279 6.006 1.00 0.00 C
558
+ ATOM 557 C GLY A 69 -2.578 -8.936 6.676 1.00 0.00 C
559
+ ATOM 558 O GLY A 69 -1.435 -8.505 6.846 1.00 0.00 O
560
+ ATOM 559 N GLU A 70 -3.656 -8.302 6.903 1.00 0.00 N
561
+ ATOM 560 CA GLU A 70 -3.598 -7.035 7.626 1.00 0.00 C
562
+ ATOM 561 C GLU A 70 -3.544 -7.261 9.134 1.00 0.00 C
563
+ ATOM 562 CB GLU A 70 -4.798 -6.154 7.267 1.00 0.00 C
564
+ ATOM 563 O GLU A 70 -4.162 -8.194 9.649 1.00 0.00 O
565
+ ATOM 564 CG GLU A 70 -4.890 -5.811 5.787 1.00 0.00 C
566
+ ATOM 565 CD GLU A 70 -3.678 -5.050 5.273 1.00 0.00 C
567
+ ATOM 566 OE1 GLU A 70 -3.223 -5.330 4.140 1.00 0.00 O
568
+ ATOM 567 OE2 GLU A 70 -3.179 -4.170 6.008 1.00 0.00 O
569
+ ATOM 568 N ILE A 71 -2.885 -6.339 9.739 1.00 0.00 N
570
+ ATOM 569 CA ILE A 71 -2.666 -6.491 11.174 1.00 0.00 C
571
+ ATOM 570 C ILE A 71 -4.004 -6.455 11.906 1.00 0.00 C
572
+ ATOM 571 CB ILE A 71 -1.725 -5.394 11.721 1.00 0.00 C
573
+ ATOM 572 O ILE A 71 -4.192 -7.156 12.905 1.00 0.00 O
574
+ ATOM 573 CG1 ILE A 71 -1.384 -5.669 13.190 1.00 0.00 C
575
+ ATOM 574 CG2 ILE A 71 -2.356 -4.009 11.555 1.00 0.00 C
576
+ ATOM 575 CD1 ILE A 71 -0.675 -6.995 13.424 1.00 0.00 C
577
+ ATOM 576 N GLU A 72 -4.918 -5.683 11.425 1.00 0.00 N
578
+ ATOM 577 CA GLU A 72 -6.226 -5.506 12.051 1.00 0.00 C
579
+ ATOM 578 C GLU A 72 -7.020 -6.809 12.048 1.00 0.00 C
580
+ ATOM 579 CB GLU A 72 -7.017 -4.406 11.338 1.00 0.00 C
581
+ ATOM 580 O GLU A 72 -7.915 -6.998 12.874 1.00 0.00 O
582
+ ATOM 581 CG GLU A 72 -6.405 -3.020 11.477 1.00 0.00 C
583
+ ATOM 582 CD GLU A 72 -5.174 -2.817 10.608 1.00 0.00 C
584
+ ATOM 583 OE1 GLU A 72 -4.406 -1.860 10.856 1.00 0.00 O
585
+ ATOM 584 OE2 GLU A 72 -4.976 -3.623 9.671 1.00 0.00 O
586
+ ATOM 585 N ASP A 73 -6.669 -7.698 11.223 1.00 0.00 N
587
+ ATOM 586 CA ASP A 73 -7.441 -8.924 11.041 1.00 0.00 C
588
+ ATOM 587 C ASP A 73 -6.925 -10.037 11.949 1.00 0.00 C
589
+ ATOM 588 CB ASP A 73 -7.397 -9.374 9.580 1.00 0.00 C
590
+ ATOM 589 O ASP A 73 -7.492 -11.131 11.983 1.00 0.00 O
591
+ ATOM 590 CG ASP A 73 -8.077 -8.396 8.638 1.00 0.00 C
592
+ ATOM 591 OD1 ASP A 73 -9.014 -7.689 9.064 1.00 0.00 O
593
+ ATOM 592 OD2 ASP A 73 -7.673 -8.335 7.456 1.00 0.00 O
594
+ ATOM 593 N TYR A 74 -5.921 -9.789 12.608 1.00 0.00 N
595
+ ATOM 594 CA TYR A 74 -5.379 -10.773 13.538 1.00 0.00 C
596
+ ATOM 595 C TYR A 74 -6.084 -10.695 14.887 1.00 0.00 C
597
+ ATOM 596 CB TYR A 74 -3.873 -10.564 13.724 1.00 0.00 C
598
+ ATOM 597 O TYR A 74 -6.401 -9.605 15.367 1.00 0.00 O
599
+ ATOM 598 CG TYR A 74 -3.043 -11.058 12.564 1.00 0.00 C
600
+ ATOM 599 CD1 TYR A 74 -2.339 -12.258 12.647 1.00 0.00 C
601
+ ATOM 600 CD2 TYR A 74 -2.961 -10.328 11.384 1.00 0.00 C
602
+ ATOM 601 CE1 TYR A 74 -1.572 -12.717 11.582 1.00 0.00 C
603
+ ATOM 602 CE2 TYR A 74 -2.196 -10.778 10.312 1.00 0.00 C
604
+ ATOM 603 OH TYR A 74 -0.750 -12.421 9.363 1.00 0.00 O
605
+ ATOM 604 CZ TYR A 74 -1.507 -11.971 10.420 1.00 0.00 C
606
+ ATOM 605 N PRO A 75 -6.328 -11.822 15.456 1.00 0.00 N
607
+ ATOM 606 CA PRO A 75 -6.933 -11.825 16.791 1.00 0.00 C
608
+ ATOM 607 C PRO A 75 -6.060 -11.132 17.834 1.00 0.00 C
609
+ ATOM 608 CB PRO A 75 -7.082 -13.315 17.107 1.00 0.00 C
610
+ ATOM 609 O PRO A 75 -4.832 -11.128 17.714 1.00 0.00 O
611
+ ATOM 610 CG PRO A 75 -6.893 -14.005 15.794 1.00 0.00 C
612
+ ATOM 611 CD PRO A 75 -6.089 -13.108 14.896 1.00 0.00 C
613
+ ATOM 612 N MET A 76 -6.670 -10.610 18.881 1.00 0.00 N
614
+ ATOM 613 CA MET A 76 -5.964 -9.903 19.946 1.00 0.00 C
615
+ ATOM 614 C MET A 76 -5.030 -10.846 20.699 1.00 0.00 C
616
+ ATOM 615 CB MET A 76 -6.958 -9.265 20.919 1.00 0.00 C
617
+ ATOM 616 O MET A 76 -4.032 -10.409 21.273 1.00 0.00 O
618
+ ATOM 617 CG MET A 76 -7.703 -8.075 20.339 1.00 0.00 C
619
+ ATOM 618 SD MET A 76 -6.580 -6.702 19.868 1.00 0.00 S
620
+ ATOM 619 CE MET A 76 -6.132 -6.078 21.513 1.00 0.00 C
621
+ ATOM 620 N SER A 77 -5.297 -12.136 20.636 1.00 0.00 N
622
+ ATOM 621 CA SER A 77 -4.518 -13.145 21.347 1.00 0.00 C
623
+ ATOM 622 C SER A 77 -3.337 -13.623 20.510 1.00 0.00 C
624
+ ATOM 623 CB SER A 77 -5.401 -14.334 21.726 1.00 0.00 C
625
+ ATOM 624 O SER A 77 -2.522 -14.422 20.977 1.00 0.00 O
626
+ ATOM 625 OG SER A 77 -5.984 -14.915 20.572 1.00 0.00 O
627
+ ATOM 626 N SER A 78 -3.302 -13.192 19.327 1.00 0.00 N
628
+ ATOM 627 CA SER A 78 -2.211 -13.585 18.443 1.00 0.00 C
629
+ ATOM 628 C SER A 78 -0.882 -13.003 18.913 1.00 0.00 C
630
+ ATOM 629 CB SER A 78 -2.493 -13.136 17.008 1.00 0.00 C
631
+ ATOM 630 O SER A 78 -0.825 -11.857 19.365 1.00 0.00 O
632
+ ATOM 631 OG SER A 78 -2.148 -11.774 16.830 1.00 0.00 O
633
+ ATOM 632 N GLU A 79 0.156 -13.706 18.758 1.00 0.00 N
634
+ ATOM 633 CA GLU A 79 1.493 -13.256 19.134 1.00 0.00 C
635
+ ATOM 634 C GLU A 79 1.913 -12.035 18.322 1.00 0.00 C
636
+ ATOM 635 CB GLU A 79 2.512 -14.385 18.951 1.00 0.00 C
637
+ ATOM 636 O GLU A 79 2.454 -11.073 18.872 1.00 0.00 O
638
+ ATOM 637 CG GLU A 79 3.902 -14.048 19.469 1.00 0.00 C
639
+ ATOM 638 CD GLU A 79 4.911 -15.163 19.246 1.00 0.00 C
640
+ ATOM 639 OE1 GLU A 79 6.093 -14.997 19.627 1.00 0.00 O
641
+ ATOM 640 OE2 GLU A 79 4.518 -16.210 18.686 1.00 0.00 O
642
+ ATOM 641 N ILE A 80 1.696 -12.089 17.048 1.00 0.00 N
643
+ ATOM 642 CA ILE A 80 2.092 -10.997 16.164 1.00 0.00 C
644
+ ATOM 643 C ILE A 80 1.308 -9.735 16.520 1.00 0.00 C
645
+ ATOM 644 CB ILE A 80 1.872 -11.364 14.679 1.00 0.00 C
646
+ ATOM 645 O ILE A 80 1.853 -8.630 16.489 1.00 0.00 O
647
+ ATOM 646 CG1 ILE A 80 2.529 -10.320 13.769 1.00 0.00 C
648
+ ATOM 647 CG2 ILE A 80 0.378 -11.497 14.372 1.00 0.00 C
649
+ ATOM 648 CD1 ILE A 80 4.041 -10.229 13.922 1.00 0.00 C
650
+ ATOM 649 N LYS A 81 0.074 -9.915 16.808 1.00 0.00 N
651
+ ATOM 650 CA LYS A 81 -0.751 -8.779 17.206 1.00 0.00 C
652
+ ATOM 651 C LYS A 81 -0.275 -8.192 18.532 1.00 0.00 C
653
+ ATOM 652 CB LYS A 81 -2.219 -9.192 17.314 1.00 0.00 C
654
+ ATOM 653 O LYS A 81 -0.175 -6.972 18.678 1.00 0.00 O
655
+ ATOM 654 CG LYS A 81 -3.181 -8.025 17.481 1.00 0.00 C
656
+ ATOM 655 CD LYS A 81 -3.346 -7.246 16.182 1.00 0.00 C
657
+ ATOM 656 CE LYS A 81 -4.441 -6.193 16.296 1.00 0.00 C
658
+ ATOM 657 NZ LYS A 81 -4.741 -5.562 14.975 1.00 0.00 N
659
+ ATOM 658 N ILE A 82 -0.015 -8.993 19.495 1.00 0.00 N
660
+ ATOM 659 CA ILE A 82 0.528 -8.567 20.780 1.00 0.00 C
661
+ ATOM 660 C ILE A 82 1.839 -7.816 20.564 1.00 0.00 C
662
+ ATOM 661 CB ILE A 82 0.749 -9.769 21.726 1.00 0.00 C
663
+ ATOM 662 O ILE A 82 2.024 -6.714 21.086 1.00 0.00 O
664
+ ATOM 663 CG1 ILE A 82 -0.596 -10.370 22.150 1.00 0.00 C
665
+ ATOM 664 CG2 ILE A 82 1.572 -9.351 22.948 1.00 0.00 C
666
+ ATOM 665 CD1 ILE A 82 -0.483 -11.738 22.809 1.00 0.00 C
667
+ ATOM 666 N TYR A 83 2.672 -8.368 19.819 1.00 0.00 N
668
+ ATOM 667 CA TYR A 83 3.961 -7.761 19.512 1.00 0.00 C
669
+ ATOM 668 C TYR A 83 3.780 -6.422 18.806 1.00 0.00 C
670
+ ATOM 669 CB TYR A 83 4.805 -8.698 18.642 1.00 0.00 C
671
+ ATOM 670 O TYR A 83 4.450 -5.441 19.139 1.00 0.00 O
672
+ ATOM 671 CG TYR A 83 6.194 -8.179 18.361 1.00 0.00 C
673
+ ATOM 672 CD1 TYR A 83 6.619 -7.940 17.056 1.00 0.00 C
674
+ ATOM 673 CD2 TYR A 83 7.085 -7.928 19.399 1.00 0.00 C
675
+ ATOM 674 CE1 TYR A 83 7.899 -7.464 16.792 1.00 0.00 C
676
+ ATOM 675 CE2 TYR A 83 8.367 -7.452 19.146 1.00 0.00 C
677
+ ATOM 676 OH TYR A 83 10.033 -6.752 17.585 1.00 0.00 O
678
+ ATOM 677 CZ TYR A 83 8.764 -7.223 17.842 1.00 0.00 C
679
+ ATOM 678 N TYR A 84 2.955 -6.372 17.827 1.00 0.00 N
680
+ ATOM 679 CA TYR A 84 2.623 -5.136 17.126 1.00 0.00 C
681
+ ATOM 680 C TYR A 84 2.184 -4.055 18.107 1.00 0.00 C
682
+ ATOM 681 CB TYR A 84 1.519 -5.382 16.093 1.00 0.00 C
683
+ ATOM 682 O TYR A 84 2.649 -2.915 18.034 1.00 0.00 O
684
+ ATOM 683 CG TYR A 84 1.014 -4.122 15.433 1.00 0.00 C
685
+ ATOM 684 CD1 TYR A 84 -0.135 -3.483 15.894 1.00 0.00 C
686
+ ATOM 685 CD2 TYR A 84 1.683 -3.569 14.347 1.00 0.00 C
687
+ ATOM 686 CE1 TYR A 84 -0.604 -2.323 15.288 1.00 0.00 C
688
+ ATOM 687 CE2 TYR A 84 1.222 -2.409 13.732 1.00 0.00 C
689
+ ATOM 688 OH TYR A 84 -0.381 -0.646 13.605 1.00 0.00 O
690
+ ATOM 689 CZ TYR A 84 0.080 -1.794 14.210 1.00 0.00 C
691
+ ATOM 690 N ASN A 85 1.350 -4.448 18.955 1.00 0.00 N
692
+ ATOM 691 CA ASN A 85 0.815 -3.505 19.931 1.00 0.00 C
693
+ ATOM 692 C ASN A 85 1.888 -3.056 20.922 1.00 0.00 C
694
+ ATOM 693 CB ASN A 85 -0.373 -4.116 20.675 1.00 0.00 C
695
+ ATOM 694 O ASN A 85 1.858 -1.922 21.404 1.00 0.00 O
696
+ ATOM 695 CG ASN A 85 -1.612 -4.223 19.809 1.00 0.00 C
697
+ ATOM 696 ND2 ASN A 85 -2.494 -5.155 20.148 1.00 0.00 N
698
+ ATOM 697 OD1 ASN A 85 -1.775 -3.475 18.842 1.00 0.00 O
699
+ ATOM 698 N GLU A 86 2.757 -3.960 21.201 1.00 0.00 N
700
+ ATOM 699 CA GLU A 86 3.872 -3.630 22.083 1.00 0.00 C
701
+ ATOM 700 C GLU A 86 4.795 -2.596 21.443 1.00 0.00 C
702
+ ATOM 701 CB GLU A 86 4.664 -4.888 22.445 1.00 0.00 C
703
+ ATOM 702 O GLU A 86 5.381 -1.764 22.138 1.00 0.00 O
704
+ ATOM 703 CG GLU A 86 3.941 -5.814 23.412 1.00 0.00 C
705
+ ATOM 704 CD GLU A 86 4.689 -7.111 23.675 1.00 0.00 C
706
+ ATOM 705 OE1 GLU A 86 4.261 -7.891 24.557 1.00 0.00 O
707
+ ATOM 706 OE2 GLU A 86 5.711 -7.349 22.995 1.00 0.00 O
708
+ ATOM 707 N LEU A 87 4.980 -2.667 20.142 1.00 0.00 N
709
+ ATOM 708 CA LEU A 87 5.941 -1.840 19.420 1.00 0.00 C
710
+ ATOM 709 C LEU A 87 5.335 -0.487 19.064 1.00 0.00 C
711
+ ATOM 710 CB LEU A 87 6.412 -2.552 18.149 1.00 0.00 C
712
+ ATOM 711 O LEU A 87 6.047 0.422 18.630 1.00 0.00 O
713
+ ATOM 712 CG LEU A 87 7.363 -3.733 18.347 1.00 0.00 C
714
+ ATOM 713 CD1 LEU A 87 7.735 -4.345 17.000 1.00 0.00 C
715
+ ATOM 714 CD2 LEU A 87 8.612 -3.295 19.104 1.00 0.00 C
716
+ ATOM 715 N GLN A 88 4.064 -0.361 19.023 1.00 0.00 N
717
+ ATOM 716 CA GLN A 88 3.399 0.872 18.613 1.00 0.00 C
718
+ ATOM 717 C GLN A 88 4.080 2.094 19.222 1.00 0.00 C
719
+ ATOM 718 CB GLN A 88 1.921 0.843 19.010 1.00 0.00 C
720
+ ATOM 719 O GLN A 88 4.121 3.161 18.605 1.00 0.00 O
721
+ ATOM 720 CG GLN A 88 1.066 -0.059 18.131 1.00 0.00 C
722
+ ATOM 721 CD GLN A 88 -0.358 0.444 17.983 1.00 0.00 C
723
+ ATOM 722 NE2 GLN A 88 -0.999 0.089 16.876 1.00 0.00 N
724
+ ATOM 723 OE1 GLN A 88 -0.875 1.147 18.856 1.00 0.00 O
725
+ ATOM 724 N ASN A 89 4.812 1.895 20.199 1.00 0.00 N
726
+ ATOM 725 CA ASN A 89 5.509 3.024 20.807 1.00 0.00 C
727
+ ATOM 726 C ASN A 89 7.010 2.966 20.540 1.00 0.00 C
728
+ ATOM 727 CB ASN A 89 5.237 3.076 22.311 1.00 0.00 C
729
+ ATOM 728 O ASN A 89 7.769 3.791 21.051 1.00 0.00 O
730
+ ATOM 729 CG ASN A 89 3.799 3.426 22.635 1.00 0.00 C
731
+ ATOM 730 ND2 ASN A 89 3.296 2.901 23.746 1.00 0.00 N
732
+ ATOM 731 OD1 ASN A 89 3.143 4.160 21.890 1.00 0.00 O
733
+ ATOM 732 N LYS A 90 7.510 1.842 19.788 1.00 0.00 N
734
+ ATOM 733 CA LYS A 90 8.928 1.658 19.489 1.00 0.00 C
735
+ ATOM 734 C LYS A 90 9.162 1.538 17.987 1.00 0.00 C
736
+ ATOM 735 CB LYS A 90 9.470 0.420 20.204 1.00 0.00 C
737
+ ATOM 736 O LYS A 90 8.531 0.718 17.318 1.00 0.00 O
738
+ ATOM 737 CG LYS A 90 9.497 0.542 21.721 1.00 0.00 C
739
+ ATOM 738 CD LYS A 90 10.190 -0.651 22.366 1.00 0.00 C
740
+ ATOM 739 CE LYS A 90 10.186 -0.546 23.886 1.00 0.00 C
741
+ ATOM 740 NZ LYS A 90 10.813 -1.741 24.525 1.00 0.00 N
742
+ ATOM 741 N PRO A 91 9.677 2.558 17.254 1.00 0.00 N
743
+ ATOM 742 CA PRO A 91 9.783 2.688 15.798 1.00 0.00 C
744
+ ATOM 743 C PRO A 91 10.752 1.679 15.185 1.00 0.00 C
745
+ ATOM 744 CB PRO A 91 10.291 4.119 15.608 1.00 0.00 C
746
+ ATOM 745 O PRO A 91 11.339 1.943 14.132 1.00 0.00 O
747
+ ATOM 746 CG PRO A 91 10.742 4.548 16.967 1.00 0.00 C
748
+ ATOM 747 CD PRO A 91 10.242 3.551 17.973 1.00 0.00 C
749
+ ATOM 748 N LYS A 92 10.903 0.284 15.825 1.00 0.00 N
750
+ ATOM 749 CA LYS A 92 12.080 -0.363 15.252 1.00 0.00 C
751
+ ATOM 750 C LYS A 92 11.693 -1.300 14.113 1.00 0.00 C
752
+ ATOM 751 CB LYS A 92 12.846 -1.135 16.328 1.00 0.00 C
753
+ ATOM 752 O LYS A 92 12.373 -1.352 13.086 1.00 0.00 O
754
+ ATOM 753 CG LYS A 92 13.692 -0.255 17.237 1.00 0.00 C
755
+ ATOM 754 CD LYS A 92 14.559 -1.089 18.172 1.00 0.00 C
756
+ ATOM 755 CE LYS A 92 15.405 -0.210 19.082 1.00 0.00 C
757
+ ATOM 756 NZ LYS A 92 16.274 -1.022 19.986 1.00 0.00 N
758
+ ATOM 757 N ALA A 93 10.516 -2.054 14.136 1.00 0.00 N
759
+ ATOM 758 CA ALA A 93 10.183 -3.029 13.101 1.00 0.00 C
760
+ ATOM 759 C ALA A 93 9.038 -2.529 12.225 1.00 0.00 C
761
+ ATOM 760 CB ALA A 93 9.819 -4.371 13.732 1.00 0.00 C
762
+ ATOM 761 O ALA A 93 8.136 -1.839 12.706 1.00 0.00 O
763
+ ATOM 762 N ARG A 94 9.112 -2.785 10.996 1.00 0.00 N
764
+ ATOM 763 CA ARG A 94 8.057 -2.468 10.038 1.00 0.00 C
765
+ ATOM 764 C ARG A 94 7.176 -3.685 9.771 1.00 0.00 C
766
+ ATOM 765 CB ARG A 94 8.655 -1.956 8.727 1.00 0.00 C
767
+ ATOM 766 O ARG A 94 7.676 -4.749 9.401 1.00 0.00 O
768
+ ATOM 767 CG ARG A 94 9.423 -0.651 8.869 1.00 0.00 C
769
+ ATOM 768 CD ARG A 94 10.081 -0.239 7.559 1.00 0.00 C
770
+ ATOM 769 NE ARG A 94 11.424 -0.795 7.433 1.00 0.00 N
771
+ ATOM 770 NH1 ARG A 94 11.859 0.181 5.384 1.00 0.00 N
772
+ ATOM 771 NH2 ARG A 94 13.441 -1.139 6.389 1.00 0.00 N
773
+ ATOM 772 CZ ARG A 94 12.239 -0.583 6.401 1.00 0.00 C
774
+ ATOM 773 N PHE A 95 5.969 -3.419 9.896 1.00 0.00 N
775
+ ATOM 774 CA PHE A 95 4.995 -4.465 9.607 1.00 0.00 C
776
+ ATOM 775 C PHE A 95 4.382 -4.268 8.225 1.00 0.00 C
777
+ ATOM 776 CB PHE A 95 3.895 -4.485 10.672 1.00 0.00 C
778
+ ATOM 777 O PHE A 95 3.747 -3.243 7.963 1.00 0.00 O
779
+ ATOM 778 CG PHE A 95 4.380 -4.885 12.039 1.00 0.00 C
780
+ ATOM 779 CD1 PHE A 95 4.178 -6.175 12.514 1.00 0.00 C
781
+ ATOM 780 CD2 PHE A 95 5.040 -3.971 12.849 1.00 0.00 C
782
+ ATOM 781 CE1 PHE A 95 4.626 -6.548 13.779 1.00 0.00 C
783
+ ATOM 782 CE2 PHE A 95 5.491 -4.336 14.114 1.00 0.00 C
784
+ ATOM 783 CZ PHE A 95 5.283 -5.624 14.578 1.00 0.00 C
785
+ ATOM 784 N TRP A 96 4.561 -5.231 7.395 1.00 0.00 N
786
+ ATOM 785 CA TRP A 96 4.012 -5.207 6.044 1.00 0.00 C
787
+ ATOM 786 C TRP A 96 2.948 -6.286 5.870 1.00 0.00 C
788
+ ATOM 787 CB TRP A 96 5.123 -5.397 5.007 1.00 0.00 C
789
+ ATOM 788 O TRP A 96 3.194 -7.461 6.150 1.00 0.00 O
790
+ ATOM 789 CG TRP A 96 6.043 -4.219 4.879 1.00 0.00 C
791
+ ATOM 790 CD1 TRP A 96 6.101 -3.127 5.698 1.00 0.00 C
792
+ ATOM 791 CD2 TRP A 96 7.033 -4.016 3.867 1.00 0.00 C
793
+ ATOM 792 CE2 TRP A 96 7.656 -2.777 4.135 1.00 0.00 C
794
+ ATOM 793 CE3 TRP A 96 7.455 -4.762 2.758 1.00 0.00 C
795
+ ATOM 794 NE1 TRP A 96 7.070 -2.255 5.256 1.00 0.00 N
796
+ ATOM 795 CH2 TRP A 96 9.075 -3.017 2.255 1.00 0.00 C
797
+ ATOM 796 CZ2 TRP A 96 8.682 -2.268 3.334 1.00 0.00 C
798
+ ATOM 797 CZ3 TRP A 96 8.475 -4.253 1.962 1.00 0.00 C
799
+ ATOM 798 N SER A 97 1.922 -5.885 5.302 1.00 0.00 N
800
+ ATOM 799 CA SER A 97 0.914 -6.862 4.901 1.00 0.00 C
801
+ ATOM 800 C SER A 97 1.342 -7.617 3.648 1.00 0.00 C
802
+ ATOM 801 CB SER A 97 -0.430 -6.174 4.658 1.00 0.00 C
803
+ ATOM 802 O SER A 97 2.226 -7.165 2.917 1.00 0.00 O
804
+ ATOM 803 OG SER A 97 -0.371 -5.345 3.510 1.00 0.00 O
805
+ ATOM 804 N PHE A 98 0.729 -8.675 3.404 1.00 0.00 N
806
+ ATOM 805 CA PHE A 98 0.925 -9.483 2.207 1.00 0.00 C
807
+ ATOM 806 C PHE A 98 0.740 -8.642 0.949 1.00 0.00 C
808
+ ATOM 807 CB PHE A 98 -0.044 -10.669 2.192 1.00 0.00 C
809
+ ATOM 808 O PHE A 98 1.610 -8.621 0.076 1.00 0.00 O
810
+ ATOM 809 CG PHE A 98 0.044 -11.510 0.948 1.00 0.00 C
811
+ ATOM 810 CD1 PHE A 98 -0.996 -11.525 0.026 1.00 0.00 C
812
+ ATOM 811 CD2 PHE A 98 1.168 -12.288 0.699 1.00 0.00 C
813
+ ATOM 812 CE1 PHE A 98 -0.917 -12.303 -1.126 1.00 0.00 C
814
+ ATOM 813 CE2 PHE A 98 1.255 -13.068 -0.450 1.00 0.00 C
815
+ ATOM 814 CZ PHE A 98 0.211 -13.075 -1.361 1.00 0.00 C
816
+ ATOM 815 N MET A 99 -0.327 -7.865 0.883 1.00 0.00 N
817
+ ATOM 816 CA MET A 99 -0.650 -7.051 -0.286 1.00 0.00 C
818
+ ATOM 817 C MET A 99 0.387 -5.951 -0.487 1.00 0.00 C
819
+ ATOM 818 CB MET A 99 -2.044 -6.436 -0.144 1.00 0.00 C
820
+ ATOM 819 O MET A 99 0.817 -5.696 -1.614 1.00 0.00 O
821
+ ATOM 820 CG MET A 99 -3.175 -7.444 -0.272 1.00 0.00 C
822
+ ATOM 821 SD MET A 99 -3.111 -8.375 -1.853 1.00 0.00 S
823
+ ATOM 822 CE MET A 99 -3.321 -7.012 -3.034 1.00 0.00 C
824
+ ATOM 823 N LYS A 100 0.709 -5.305 0.559 1.00 0.00 N
825
+ ATOM 824 CA LYS A 100 1.760 -4.293 0.490 1.00 0.00 C
826
+ ATOM 825 C LYS A 100 3.064 -4.890 -0.033 1.00 0.00 C
827
+ ATOM 826 CB LYS A 100 1.987 -3.659 1.862 1.00 0.00 C
828
+ ATOM 827 O LYS A 100 3.756 -4.271 -0.842 1.00 0.00 O
829
+ ATOM 828 CG LYS A 100 3.094 -2.617 1.888 1.00 0.00 C
830
+ ATOM 829 CD LYS A 100 3.246 -1.995 3.270 1.00 0.00 C
831
+ ATOM 830 CE LYS A 100 4.369 -0.967 3.301 1.00 0.00 C
832
+ ATOM 831 NZ LYS A 100 4.483 -0.312 4.639 1.00 0.00 N
833
+ ATOM 832 N THR A 101 3.411 -6.041 0.421 1.00 0.00 N
834
+ ATOM 833 CA THR A 101 4.648 -6.710 0.034 1.00 0.00 C
835
+ ATOM 834 C THR A 101 4.607 -7.114 -1.437 1.00 0.00 C
836
+ ATOM 835 CB THR A 101 4.907 -7.953 0.903 1.00 0.00 C
837
+ ATOM 836 O THR A 101 5.578 -6.911 -2.170 1.00 0.00 O
838
+ ATOM 837 CG2 THR A 101 6.261 -8.577 0.582 1.00 0.00 C
839
+ ATOM 838 OG1 THR A 101 4.883 -7.576 2.285 1.00 0.00 O
840
+ ATOM 839 N GLN A 102 3.540 -7.615 -1.873 1.00 0.00 N
841
+ ATOM 840 CA GLN A 102 3.365 -7.972 -3.278 1.00 0.00 C
842
+ ATOM 841 C GLN A 102 3.548 -6.756 -4.181 1.00 0.00 C
843
+ ATOM 842 CB GLN A 102 1.987 -8.594 -3.506 1.00 0.00 C
844
+ ATOM 843 O GLN A 102 4.237 -6.832 -5.201 1.00 0.00 O
845
+ ATOM 844 CG GLN A 102 1.857 -10.015 -2.976 1.00 0.00 C
846
+ ATOM 845 CD GLN A 102 0.546 -10.671 -3.368 1.00 0.00 C
847
+ ATOM 846 NE2 GLN A 102 0.605 -11.586 -4.330 1.00 0.00 N
848
+ ATOM 847 OE1 GLN A 102 -0.511 -10.359 -2.810 1.00 0.00 O
849
+ ATOM 848 N ARG A 103 2.960 -5.691 -3.835 1.00 0.00 N
850
+ ATOM 849 CA ARG A 103 3.098 -4.452 -4.594 1.00 0.00 C
851
+ ATOM 850 C ARG A 103 4.551 -3.991 -4.630 1.00 0.00 C
852
+ ATOM 851 CB ARG A 103 2.215 -3.354 -3.996 1.00 0.00 C
853
+ ATOM 852 O ARG A 103 5.036 -3.532 -5.666 1.00 0.00 O
854
+ ATOM 853 CG ARG A 103 0.735 -3.517 -4.306 1.00 0.00 C
855
+ ATOM 854 CD ARG A 103 -0.095 -2.396 -3.695 1.00 0.00 C
856
+ ATOM 855 NE ARG A 103 -1.523 -2.696 -3.743 1.00 0.00 N
857
+ ATOM 856 NH1 ARG A 103 -2.183 -0.716 -2.753 1.00 0.00 N
858
+ ATOM 857 NH2 ARG A 103 -3.750 -2.264 -3.388 1.00 0.00 N
859
+ ATOM 858 CZ ARG A 103 -2.482 -1.891 -3.295 1.00 0.00 C
860
+ ATOM 859 N PHE A 104 5.155 -4.013 -3.503 1.00 0.00 N
861
+ ATOM 860 CA PHE A 104 6.554 -3.617 -3.391 1.00 0.00 C
862
+ ATOM 861 C PHE A 104 7.425 -4.433 -4.339 1.00 0.00 C
863
+ ATOM 862 CB PHE A 104 7.047 -3.784 -1.950 1.00 0.00 C
864
+ ATOM 863 O PHE A 104 8.186 -3.872 -5.130 1.00 0.00 O
865
+ ATOM 864 CG PHE A 104 8.530 -3.580 -1.789 1.00 0.00 C
866
+ ATOM 865 CD1 PHE A 104 9.401 -4.662 -1.806 1.00 0.00 C
867
+ ATOM 866 CD2 PHE A 104 9.052 -2.304 -1.620 1.00 0.00 C
868
+ ATOM 867 CE1 PHE A 104 10.774 -4.476 -1.657 1.00 0.00 C
869
+ ATOM 868 CE2 PHE A 104 10.423 -2.110 -1.470 1.00 0.00 C
870
+ ATOM 869 CZ PHE A 104 11.281 -3.198 -1.488 1.00 0.00 C
871
+ ATOM 870 N VAL A 105 7.313 -5.774 -4.299 1.00 0.00 N
872
+ ATOM 871 CA VAL A 105 8.148 -6.651 -5.113 1.00 0.00 C
873
+ ATOM 872 C VAL A 105 7.827 -6.445 -6.591 1.00 0.00 C
874
+ ATOM 873 CB VAL A 105 7.958 -8.135 -4.727 1.00 0.00 C
875
+ ATOM 874 O VAL A 105 8.722 -6.482 -7.439 1.00 0.00 O
876
+ ATOM 875 CG1 VAL A 105 8.485 -8.398 -3.318 1.00 0.00 C
877
+ ATOM 876 CG2 VAL A 105 6.486 -8.529 -4.834 1.00 0.00 C
878
+ ATOM 877 N SER A 106 6.598 -6.219 -6.891 1.00 0.00 N
879
+ ATOM 878 CA SER A 106 6.212 -5.892 -8.260 1.00 0.00 C
880
+ ATOM 879 C SER A 106 6.884 -4.607 -8.731 1.00 0.00 C
881
+ ATOM 880 CB SER A 106 4.693 -5.754 -8.371 1.00 0.00 C
882
+ ATOM 881 O SER A 106 7.381 -4.538 -9.857 1.00 0.00 O
883
+ ATOM 882 OG SER A 106 4.309 -5.501 -9.711 1.00 0.00 O
884
+ ATOM 883 N ASN A 107 6.848 -3.632 -7.891 1.00 0.00 N
885
+ ATOM 884 CA ASN A 107 7.486 -2.358 -8.204 1.00 0.00 C
886
+ ATOM 885 C ASN A 107 8.998 -2.511 -8.359 1.00 0.00 C
887
+ ATOM 886 CB ASN A 107 7.166 -1.317 -7.130 1.00 0.00 C
888
+ ATOM 887 O ASN A 107 9.649 -1.676 -8.987 1.00 0.00 O
889
+ ATOM 888 CG ASN A 107 5.741 -0.807 -7.218 1.00 0.00 C
890
+ ATOM 889 ND2 ASN A 107 5.226 -0.292 -6.108 1.00 0.00 N
891
+ ATOM 890 OD1 ASN A 107 5.109 -0.875 -8.275 1.00 0.00 O
892
+ ATOM 891 N MET A 108 9.539 -3.498 -7.730 1.00 0.00 N
893
+ ATOM 892 CA MET A 108 10.961 -3.805 -7.855 1.00 0.00 C
894
+ ATOM 893 C MET A 108 11.238 -4.596 -9.128 1.00 0.00 C
895
+ ATOM 894 CB MET A 108 11.450 -4.588 -6.635 1.00 0.00 C
896
+ ATOM 895 O MET A 108 12.395 -4.863 -9.459 1.00 0.00 O
897
+ ATOM 896 CG MET A 108 11.472 -3.774 -5.352 1.00 0.00 C
898
+ ATOM 897 SD MET A 108 12.701 -2.411 -5.404 1.00 0.00 S
899
+ ATOM 898 CE MET A 108 14.229 -3.347 -5.119 1.00 0.00 C
900
+ ATOM 899 N GLY A 109 10.117 -5.105 -9.805 1.00 0.00 N
901
+ ATOM 900 CA GLY A 109 10.304 -5.772 -11.083 1.00 0.00 C
902
+ ATOM 901 C GLY A 109 10.133 -7.278 -11.002 1.00 0.00 C
903
+ ATOM 902 O GLY A 109 10.576 -8.007 -11.891 1.00 0.00 O
904
+ ATOM 903 N PHE A 110 9.645 -7.689 -9.860 1.00 0.00 N
905
+ ATOM 904 CA PHE A 110 9.399 -9.114 -9.672 1.00 0.00 C
906
+ ATOM 905 C PHE A 110 7.904 -9.411 -9.696 1.00 0.00 C
907
+ ATOM 906 CB PHE A 110 10.009 -9.597 -8.353 1.00 0.00 C
908
+ ATOM 907 O PHE A 110 7.101 -8.629 -9.184 1.00 0.00 O
909
+ ATOM 908 CG PHE A 110 11.484 -9.322 -8.230 1.00 0.00 C
910
+ ATOM 909 CD1 PHE A 110 12.413 -10.152 -8.843 1.00 0.00 C
911
+ ATOM 910 CD2 PHE A 110 11.940 -8.232 -7.500 1.00 0.00 C
912
+ ATOM 911 CE1 PHE A 110 13.779 -9.899 -8.731 1.00 0.00 C
913
+ ATOM 912 CE2 PHE A 110 13.303 -7.973 -7.383 1.00 0.00 C
914
+ ATOM 913 CZ PHE A 110 14.220 -8.809 -7.998 1.00 0.00 C
915
+ ATOM 914 N ASP A 111 7.563 -10.437 -10.385 1.00 0.00 N
916
+ ATOM 915 CA ASP A 111 6.163 -10.840 -10.480 1.00 0.00 C
917
+ ATOM 916 C ASP A 111 5.880 -12.057 -9.602 1.00 0.00 C
918
+ ATOM 917 CB ASP A 111 5.789 -11.142 -11.933 1.00 0.00 C
919
+ ATOM 918 O ASP A 111 6.691 -12.982 -9.533 1.00 0.00 O
920
+ ATOM 919 CG ASP A 111 5.624 -9.890 -12.775 1.00 0.00 C
921
+ ATOM 920 OD1 ASP A 111 5.221 -8.838 -12.232 1.00 0.00 O
922
+ ATOM 921 OD2 ASP A 111 5.897 -9.955 -13.993 1.00 0.00 O
923
+ ATOM 922 N ILE A 112 4.813 -11.998 -8.791 1.00 0.00 N
924
+ ATOM 923 CA ILE A 112 4.339 -13.107 -7.969 1.00 0.00 C
925
+ ATOM 924 C ILE A 112 2.880 -13.408 -8.302 1.00 0.00 C
926
+ ATOM 925 CB ILE A 112 4.494 -12.799 -6.463 1.00 0.00 C
927
+ ATOM 926 O ILE A 112 2.153 -12.535 -8.778 1.00 0.00 O
928
+ ATOM 927 CG1 ILE A 112 3.848 -11.451 -6.124 1.00 0.00 C
929
+ ATOM 928 CG2 ILE A 112 5.971 -12.817 -6.057 1.00 0.00 C
930
+ ATOM 929 CD1 ILE A 112 3.741 -11.175 -4.630 1.00 0.00 C
931
+ ATOM 930 OXT ILE A 112 3.092 -14.531 -7.912 1.00 0.00 O
932
+ TER 931 ILE A 112
933
+ END
6qsz/6qsz_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,933 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N SER A 1 14.573 9.787 -10.530 1.00 0.00 N
3
+ ATOM 2 CA SER A 1 14.110 8.811 -11.511 1.00 0.00 C
4
+ ATOM 3 C SER A 1 13.667 7.517 -10.838 1.00 0.00 C
5
+ ATOM 4 CB SER A 1 15.210 8.515 -12.532 1.00 0.00 C
6
+ ATOM 5 O SER A 1 14.140 7.185 -9.748 1.00 0.00 O
7
+ ATOM 6 OG SER A 1 16.058 7.478 -12.070 1.00 0.00 O
8
+ ATOM 7 N LYS A 2 12.478 6.895 -11.023 1.00 0.00 N
9
+ ATOM 8 CA LYS A 2 12.010 5.626 -10.475 1.00 0.00 C
10
+ ATOM 9 C LYS A 2 13.142 4.603 -10.413 1.00 0.00 C
11
+ ATOM 10 CB LYS A 2 10.851 5.076 -11.307 1.00 0.00 C
12
+ ATOM 11 O LYS A 2 13.229 3.824 -9.462 1.00 0.00 O
13
+ ATOM 12 CG LYS A 2 9.500 5.689 -10.969 1.00 0.00 C
14
+ ATOM 13 CD LYS A 2 8.370 5.003 -11.725 1.00 0.00 C
15
+ ATOM 14 CE LYS A 2 7.022 5.641 -11.418 1.00 0.00 C
16
+ ATOM 15 NZ LYS A 2 5.908 4.958 -12.141 1.00 0.00 N
17
+ ATOM 16 N SER A 3 14.028 4.701 -11.372 1.00 0.00 N
18
+ ATOM 17 CA SER A 3 15.102 3.714 -11.398 1.00 0.00 C
19
+ ATOM 18 C SER A 3 16.089 3.941 -10.258 1.00 0.00 C
20
+ ATOM 19 CB SER A 3 15.840 3.759 -12.737 1.00 0.00 C
21
+ ATOM 20 O SER A 3 16.597 2.983 -9.669 1.00 0.00 O
22
+ ATOM 21 OG SER A 3 16.485 5.009 -12.915 1.00 0.00 O
23
+ ATOM 22 N SER A 4 16.304 5.183 -9.983 1.00 0.00 N
24
+ ATOM 23 CA SER A 4 17.288 5.471 -8.944 1.00 0.00 C
25
+ ATOM 24 C SER A 4 16.773 5.063 -7.568 1.00 0.00 C
26
+ ATOM 25 CB SER A 4 17.649 6.957 -8.944 1.00 0.00 C
27
+ ATOM 26 O SER A 4 17.530 4.542 -6.746 1.00 0.00 O
28
+ ATOM 27 OG SER A 4 16.513 7.750 -8.642 1.00 0.00 O
29
+ ATOM 28 N TRP A 5 15.557 5.360 -7.340 1.00 0.00 N
30
+ ATOM 29 CA TRP A 5 14.933 4.985 -6.075 1.00 0.00 C
31
+ ATOM 30 C TRP A 5 14.969 3.473 -5.877 1.00 0.00 C
32
+ ATOM 31 CB TRP A 5 13.487 5.486 -6.017 1.00 0.00 C
33
+ ATOM 32 O TRP A 5 15.257 2.991 -4.779 1.00 0.00 O
34
+ ATOM 33 CG TRP A 5 12.759 5.100 -4.765 1.00 0.00 C
35
+ ATOM 34 CD1 TRP A 5 12.860 5.691 -3.536 1.00 0.00 C
36
+ ATOM 35 CD2 TRP A 5 11.818 4.032 -4.620 1.00 0.00 C
37
+ ATOM 36 CE2 TRP A 5 11.388 4.034 -3.275 1.00 0.00 C
38
+ ATOM 37 CE3 TRP A 5 11.296 3.073 -5.498 1.00 0.00 C
39
+ ATOM 38 NE1 TRP A 5 12.038 5.054 -2.636 1.00 0.00 N
40
+ ATOM 39 CH2 TRP A 5 9.964 2.183 -3.666 1.00 0.00 C
41
+ ATOM 40 CZ2 TRP A 5 10.459 3.111 -2.786 1.00 0.00 C
42
+ ATOM 41 CZ3 TRP A 5 10.371 2.155 -5.010 1.00 0.00 C
43
+ ATOM 42 N ARG A 6 14.694 2.726 -6.900 1.00 0.00 N
44
+ ATOM 43 CA ARG A 6 14.728 1.268 -6.870 1.00 0.00 C
45
+ ATOM 44 C ARG A 6 16.122 0.760 -6.516 1.00 0.00 C
46
+ ATOM 45 CB ARG A 6 14.287 0.692 -8.218 1.00 0.00 C
47
+ ATOM 46 O ARG A 6 16.266 -0.166 -5.717 1.00 0.00 O
48
+ ATOM 47 CG ARG A 6 14.109 -0.817 -8.214 1.00 0.00 C
49
+ ATOM 48 CD ARG A 6 13.614 -1.331 -9.559 1.00 0.00 C
50
+ ATOM 49 NE ARG A 6 13.643 -2.788 -9.623 1.00 0.00 N
51
+ ATOM 50 NH1 ARG A 6 12.196 -2.944 -11.418 1.00 0.00 N
52
+ ATOM 51 NH2 ARG A 6 13.069 -4.843 -10.475 1.00 0.00 N
53
+ ATOM 52 CZ ARG A 6 12.969 -3.522 -10.505 1.00 0.00 C
54
+ ATOM 53 N GLN A 7 17.084 1.283 -7.159 1.00 0.00 N
55
+ ATOM 54 CA GLN A 7 18.459 0.855 -6.925 1.00 0.00 C
56
+ ATOM 55 C GLN A 7 18.876 1.111 -5.479 1.00 0.00 C
57
+ ATOM 56 CB GLN A 7 19.415 1.568 -7.882 1.00 0.00 C
58
+ ATOM 57 O GLN A 7 19.560 0.286 -4.869 1.00 0.00 O
59
+ ATOM 58 CG GLN A 7 19.372 1.034 -9.307 1.00 0.00 C
60
+ ATOM 59 CD GLN A 7 20.346 1.744 -10.229 1.00 0.00 C
61
+ ATOM 60 NE2 GLN A 7 20.482 1.238 -11.450 1.00 0.00 N
62
+ ATOM 61 OE1 GLN A 7 20.968 2.740 -9.848 1.00 0.00 O
63
+ ATOM 62 N GLU A 8 18.515 2.256 -4.969 1.00 0.00 N
64
+ ATOM 63 CA GLU A 8 18.837 2.573 -3.582 1.00 0.00 C
65
+ ATOM 64 C GLU A 8 18.171 1.591 -2.622 1.00 0.00 C
66
+ ATOM 65 CB GLU A 8 18.416 4.005 -3.244 1.00 0.00 C
67
+ ATOM 66 O GLU A 8 18.797 1.123 -1.669 1.00 0.00 O
68
+ ATOM 67 CG GLU A 8 18.900 4.485 -1.884 1.00 0.00 C
69
+ ATOM 68 CD GLU A 8 18.555 5.940 -1.603 1.00 0.00 C
70
+ ATOM 69 OE1 GLU A 8 17.965 6.604 -2.484 1.00 0.00 O
71
+ ATOM 70 OE2 GLU A 8 18.880 6.417 -0.493 1.00 0.00 O
72
+ ATOM 71 N TRP A 9 16.962 1.268 -2.847 1.00 0.00 N
73
+ ATOM 72 CA TRP A 9 16.238 0.333 -1.994 1.00 0.00 C
74
+ ATOM 73 C TRP A 9 16.856 -1.060 -2.063 1.00 0.00 C
75
+ ATOM 74 CB TRP A 9 14.761 0.270 -2.395 1.00 0.00 C
76
+ ATOM 75 O TRP A 9 16.997 -1.734 -1.040 1.00 0.00 O
77
+ ATOM 76 CG TRP A 9 13.900 1.291 -1.713 1.00 0.00 C
78
+ ATOM 77 CD1 TRP A 9 13.596 2.545 -2.164 1.00 0.00 C
79
+ ATOM 78 CD2 TRP A 9 13.236 1.144 -0.455 1.00 0.00 C
80
+ ATOM 79 CE2 TRP A 9 12.545 2.351 -0.204 1.00 0.00 C
81
+ ATOM 80 CE3 TRP A 9 13.156 0.109 0.486 1.00 0.00 C
82
+ ATOM 81 NE1 TRP A 9 12.781 3.188 -1.260 1.00 0.00 N
83
+ ATOM 82 CH2 TRP A 9 11.724 1.520 1.854 1.00 0.00 C
84
+ ATOM 83 CZ2 TRP A 9 11.785 2.549 0.951 1.00 0.00 C
85
+ ATOM 84 CZ3 TRP A 9 12.399 0.308 1.634 1.00 0.00 C
86
+ ATOM 85 N LEU A 10 17.194 -1.404 -3.253 1.00 0.00 N
87
+ ATOM 86 CA LEU A 10 17.798 -2.720 -3.435 1.00 0.00 C
88
+ ATOM 87 C LEU A 10 19.101 -2.833 -2.651 1.00 0.00 C
89
+ ATOM 88 CB LEU A 10 18.057 -2.989 -4.920 1.00 0.00 C
90
+ ATOM 89 O LEU A 10 19.370 -3.864 -2.032 1.00 0.00 O
91
+ ATOM 90 CG LEU A 10 16.834 -3.340 -5.768 1.00 0.00 C
92
+ ATOM 91 CD1 LEU A 10 17.190 -3.306 -7.251 1.00 0.00 C
93
+ ATOM 92 CD2 LEU A 10 16.285 -4.707 -5.376 1.00 0.00 C
94
+ ATOM 93 N ALA A 11 19.846 -1.763 -2.742 1.00 0.00 N
95
+ ATOM 94 CA ALA A 11 21.111 -1.760 -2.012 1.00 0.00 C
96
+ ATOM 95 C ALA A 11 20.877 -1.890 -0.509 1.00 0.00 C
97
+ ATOM 96 CB ALA A 11 21.898 -0.487 -2.316 1.00 0.00 C
98
+ ATOM 97 O ALA A 11 21.633 -2.573 0.185 1.00 0.00 O
99
+ ATOM 98 N ASN A 12 19.827 -1.281 -0.027 1.00 0.00 N
100
+ ATOM 99 CA ASN A 12 19.520 -1.297 1.400 1.00 0.00 C
101
+ ATOM 100 C ASN A 12 18.949 -2.643 1.836 1.00 0.00 C
102
+ ATOM 101 CB ASN A 12 18.549 -0.169 1.753 1.00 0.00 C
103
+ ATOM 102 O ASN A 12 19.202 -3.098 2.952 1.00 0.00 O
104
+ ATOM 103 CG ASN A 12 19.202 1.199 1.708 1.00 0.00 C
105
+ ATOM 104 ND2 ASN A 12 18.399 2.231 1.478 1.00 0.00 N
106
+ ATOM 105 OD1 ASN A 12 20.416 1.326 1.877 1.00 0.00 O
107
+ ATOM 106 N LEU A 13 18.288 -3.217 0.969 1.00 0.00 N
108
+ ATOM 107 CA LEU A 13 17.620 -4.468 1.306 1.00 0.00 C
109
+ ATOM 108 C LEU A 13 18.635 -5.583 1.534 1.00 0.00 C
110
+ ATOM 109 CB LEU A 13 16.644 -4.871 0.198 1.00 0.00 C
111
+ ATOM 110 O LEU A 13 18.399 -6.489 2.336 1.00 0.00 O
112
+ ATOM 111 CG LEU A 13 15.299 -4.141 0.181 1.00 0.00 C
113
+ ATOM 112 CD1 LEU A 13 14.545 -4.450 -1.109 1.00 0.00 C
114
+ ATOM 113 CD2 LEU A 13 14.467 -4.526 1.399 1.00 0.00 C
115
+ ATOM 114 N LYS A 14 19.746 -5.548 0.793 1.00 0.00 N
116
+ ATOM 115 CA LYS A 14 20.806 -6.532 0.994 1.00 0.00 C
117
+ ATOM 116 C LYS A 14 21.323 -6.497 2.428 1.00 0.00 C
118
+ ATOM 117 CB LYS A 14 21.957 -6.288 0.016 1.00 0.00 C
119
+ ATOM 118 O LYS A 14 21.852 -7.492 2.929 1.00 0.00 O
120
+ ATOM 119 CG LYS A 14 21.613 -6.598 -1.433 1.00 0.00 C
121
+ ATOM 120 CD LYS A 14 22.793 -6.325 -2.358 1.00 0.00 C
122
+ ATOM 121 CE LYS A 14 22.441 -6.607 -3.812 1.00 0.00 C
123
+ ATOM 122 NZ LYS A 14 23.590 -6.325 -4.724 1.00 0.00 N
124
+ ATOM 123 N LEU A 15 21.051 -5.430 3.041 1.00 0.00 N
125
+ ATOM 124 CA LEU A 15 21.589 -5.263 4.386 1.00 0.00 C
126
+ ATOM 125 C LEU A 15 20.527 -5.561 5.438 1.00 0.00 C
127
+ ATOM 126 CB LEU A 15 22.128 -3.842 4.575 1.00 0.00 C
128
+ ATOM 127 O LEU A 15 20.795 -5.476 6.639 1.00 0.00 O
129
+ ATOM 128 CG LEU A 15 23.254 -3.412 3.634 1.00 0.00 C
130
+ ATOM 129 CD1 LEU A 15 23.626 -1.955 3.883 1.00 0.00 C
131
+ ATOM 130 CD2 LEU A 15 24.470 -4.317 3.805 1.00 0.00 C
132
+ ATOM 131 N ILE A 16 19.416 -5.973 4.934 1.00 0.00 N
133
+ ATOM 132 CA ILE A 16 18.278 -6.081 5.841 1.00 0.00 C
134
+ ATOM 133 C ILE A 16 18.013 -7.549 6.164 1.00 0.00 C
135
+ ATOM 134 CB ILE A 16 17.013 -5.428 5.238 1.00 0.00 C
136
+ ATOM 135 O ILE A 16 18.109 -8.412 5.287 1.00 0.00 O
137
+ ATOM 136 CG1 ILE A 16 17.196 -3.910 5.130 1.00 0.00 C
138
+ ATOM 137 CG2 ILE A 16 15.777 -5.774 6.074 1.00 0.00 C
139
+ ATOM 138 CD1 ILE A 16 16.042 -3.196 4.438 1.00 0.00 C
140
+ ATOM 139 N SER A 17 17.726 -7.802 7.372 1.00 0.00 N
141
+ ATOM 140 CA SER A 17 17.259 -9.121 7.786 1.00 0.00 C
142
+ ATOM 141 C SER A 17 15.736 -9.193 7.789 1.00 0.00 C
143
+ ATOM 142 CB SER A 17 17.797 -9.469 9.174 1.00 0.00 C
144
+ ATOM 143 O SER A 17 15.065 -8.251 8.215 1.00 0.00 O
145
+ ATOM 144 OG SER A 17 17.341 -8.535 10.139 1.00 0.00 O
146
+ ATOM 145 N VAL A 18 15.289 -10.322 7.215 1.00 0.00 N
147
+ ATOM 146 CA VAL A 18 13.849 -10.499 7.057 1.00 0.00 C
148
+ ATOM 147 C VAL A 18 13.417 -11.815 7.700 1.00 0.00 C
149
+ ATOM 148 CB VAL A 18 13.435 -10.472 5.569 1.00 0.00 C
150
+ ATOM 149 O VAL A 18 14.040 -12.856 7.477 1.00 0.00 O
151
+ ATOM 150 CG1 VAL A 18 11.930 -10.695 5.424 1.00 0.00 C
152
+ ATOM 151 CG2 VAL A 18 13.846 -9.149 4.925 1.00 0.00 C
153
+ ATOM 152 N SER A 19 12.346 -11.787 8.503 1.00 0.00 N
154
+ ATOM 153 CA SER A 19 11.721 -12.984 9.056 1.00 0.00 C
155
+ ATOM 154 C SER A 19 10.295 -13.149 8.544 1.00 0.00 C
156
+ ATOM 155 CB SER A 19 11.718 -12.928 10.585 1.00 0.00 C
157
+ ATOM 156 O SER A 19 9.539 -12.179 8.470 1.00 0.00 O
158
+ ATOM 157 OG SER A 19 13.030 -13.087 11.097 1.00 0.00 O
159
+ ATOM 158 N LEU A 20 10.005 -14.287 8.159 1.00 0.00 N
160
+ ATOM 159 CA LEU A 20 8.634 -14.641 7.810 1.00 0.00 C
161
+ ATOM 160 C LEU A 20 7.996 -15.492 8.903 1.00 0.00 C
162
+ ATOM 161 CB LEU A 20 8.598 -15.392 6.476 1.00 0.00 C
163
+ ATOM 162 O LEU A 20 8.416 -16.627 9.136 1.00 0.00 O
164
+ ATOM 163 CG LEU A 20 9.029 -14.601 5.241 1.00 0.00 C
165
+ ATOM 164 CD1 LEU A 20 10.530 -14.750 5.014 1.00 0.00 C
166
+ ATOM 165 CD2 LEU A 20 8.250 -15.058 4.013 1.00 0.00 C
167
+ ATOM 166 N VAL A 21 7.055 -14.964 9.500 1.00 0.00 N
168
+ ATOM 167 CA VAL A 21 6.444 -15.587 10.671 1.00 0.00 C
169
+ ATOM 168 C VAL A 21 5.442 -16.651 10.228 1.00 0.00 C
170
+ ATOM 169 CB VAL A 21 5.749 -14.542 11.571 1.00 0.00 C
171
+ ATOM 170 O VAL A 21 4.580 -16.388 9.386 1.00 0.00 O
172
+ ATOM 171 CG1 VAL A 21 5.015 -15.224 12.723 1.00 0.00 C
173
+ ATOM 172 CG2 VAL A 21 6.767 -13.535 12.104 1.00 0.00 C
174
+ ATOM 173 N ASP A 22 5.571 -17.820 10.814 1.00 0.00 N
175
+ ATOM 174 CA ASP A 22 4.749 -18.956 10.410 1.00 0.00 C
176
+ ATOM 175 C ASP A 22 3.506 -19.074 11.288 1.00 0.00 C
177
+ ATOM 176 CB ASP A 22 5.559 -20.252 10.466 1.00 0.00 C
178
+ ATOM 177 O ASP A 22 2.893 -20.142 11.364 1.00 0.00 O
179
+ ATOM 178 CG ASP A 22 4.886 -21.405 9.742 1.00 0.00 C
180
+ ATOM 179 OD1 ASP A 22 4.160 -21.163 8.753 1.00 0.00 O
181
+ ATOM 180 OD2 ASP A 22 5.081 -22.564 10.165 1.00 0.00 O
182
+ ATOM 181 N GLU A 23 3.097 -18.107 11.974 1.00 0.00 N
183
+ ATOM 182 CA GLU A 23 1.862 -18.072 12.752 1.00 0.00 C
184
+ ATOM 183 C GLU A 23 0.731 -17.421 11.960 1.00 0.00 C
185
+ ATOM 184 CB GLU A 23 2.079 -17.325 14.071 1.00 0.00 C
186
+ ATOM 185 O GLU A 23 0.955 -16.461 11.221 1.00 0.00 O
187
+ ATOM 186 CG GLU A 23 0.957 -17.524 15.080 1.00 0.00 C
188
+ ATOM 187 CD GLU A 23 1.197 -16.797 16.394 1.00 0.00 C
189
+ ATOM 188 OE1 GLU A 23 2.335 -16.331 16.631 1.00 0.00 O
190
+ ATOM 189 OE2 GLU A 23 0.240 -16.692 17.192 1.00 0.00 O
191
+ ATOM 190 N PHE A 24 -0.367 -17.998 12.075 1.00 0.00 N
192
+ ATOM 191 CA PHE A 24 -1.534 -17.423 11.416 1.00 0.00 C
193
+ ATOM 192 C PHE A 24 -2.264 -16.463 12.348 1.00 0.00 C
194
+ ATOM 193 CB PHE A 24 -2.487 -18.527 10.948 1.00 0.00 C
195
+ ATOM 194 O PHE A 24 -2.287 -16.666 13.563 1.00 0.00 O
196
+ ATOM 195 CG PHE A 24 -2.005 -19.270 9.731 1.00 0.00 C
197
+ ATOM 196 CD1 PHE A 24 -2.235 -18.767 8.456 1.00 0.00 C
198
+ ATOM 197 CD2 PHE A 24 -1.321 -20.471 9.862 1.00 0.00 C
199
+ ATOM 198 CE1 PHE A 24 -1.790 -19.452 7.327 1.00 0.00 C
200
+ ATOM 199 CE2 PHE A 24 -0.873 -21.162 8.739 1.00 0.00 C
201
+ ATOM 200 CZ PHE A 24 -1.109 -20.651 7.473 1.00 0.00 C
202
+ ATOM 201 N PRO A 25 -2.720 -15.392 11.699 1.00 0.00 N
203
+ ATOM 202 CA PRO A 25 -3.671 -14.636 12.517 1.00 0.00 C
204
+ ATOM 203 C PRO A 25 -4.906 -15.452 12.891 1.00 0.00 C
205
+ ATOM 204 CB PRO A 25 -4.049 -13.456 11.619 1.00 0.00 C
206
+ ATOM 205 O PRO A 25 -4.990 -16.638 12.561 1.00 0.00 O
207
+ ATOM 206 CG PRO A 25 -3.811 -13.944 10.225 1.00 0.00 C
208
+ ATOM 207 CD PRO A 25 -2.810 -15.062 10.278 1.00 0.00 C
209
+ ATOM 208 N SER A 26 -5.930 -14.925 13.703 1.00 0.00 N
210
+ ATOM 209 CA SER A 26 -7.191 -15.518 14.138 1.00 0.00 C
211
+ ATOM 210 C SER A 26 -7.671 -16.579 13.153 1.00 0.00 C
212
+ ATOM 211 CB SER A 26 -8.262 -14.439 14.302 1.00 0.00 C
213
+ ATOM 212 O SER A 26 -7.015 -16.839 12.143 1.00 0.00 O
214
+ ATOM 213 OG SER A 26 -8.515 -13.792 13.067 1.00 0.00 O
215
+ ATOM 214 N GLU A 27 -8.776 -17.304 13.351 1.00 0.00 N
216
+ ATOM 215 CA GLU A 27 -9.251 -18.487 12.639 1.00 0.00 C
217
+ ATOM 216 C GLU A 27 -9.400 -18.210 11.145 1.00 0.00 C
218
+ ATOM 217 CB GLU A 27 -10.585 -18.964 13.220 1.00 0.00 C
219
+ ATOM 218 O GLU A 27 -10.045 -17.236 10.750 1.00 0.00 O
220
+ ATOM 219 CG GLU A 27 -10.468 -19.564 14.613 1.00 0.00 C
221
+ ATOM 220 CD GLU A 27 -11.731 -20.279 15.067 1.00 0.00 C
222
+ ATOM 221 OE1 GLU A 27 -12.739 -20.260 14.325 1.00 0.00 O
223
+ ATOM 222 OE2 GLU A 27 -11.713 -20.863 16.174 1.00 0.00 O
224
+ ATOM 223 N LEU A 28 -8.620 -18.849 10.314 1.00 0.00 N
225
+ ATOM 224 CA LEU A 28 -8.691 -18.881 8.857 1.00 0.00 C
226
+ ATOM 225 C LEU A 28 -9.113 -20.261 8.363 1.00 0.00 C
227
+ ATOM 226 CB LEU A 28 -7.340 -18.497 8.246 1.00 0.00 C
228
+ ATOM 227 O LEU A 28 -8.878 -21.265 9.039 1.00 0.00 O
229
+ ATOM 228 CG LEU A 28 -6.872 -17.062 8.485 1.00 0.00 C
230
+ ATOM 229 CD1 LEU A 28 -5.449 -16.875 7.966 1.00 0.00 C
231
+ ATOM 230 CD2 LEU A 28 -7.822 -16.071 7.820 1.00 0.00 C
232
+ ATOM 231 N SER A 29 -9.867 -20.260 7.305 1.00 0.00 N
233
+ ATOM 232 CA SER A 29 -10.191 -21.542 6.687 1.00 0.00 C
234
+ ATOM 233 C SER A 29 -8.935 -22.251 6.191 1.00 0.00 C
235
+ ATOM 234 CB SER A 29 -11.169 -21.347 5.527 1.00 0.00 C
236
+ ATOM 235 O SER A 29 -7.909 -21.611 5.954 1.00 0.00 O
237
+ ATOM 236 OG SER A 29 -10.524 -20.734 4.424 1.00 0.00 O
238
+ ATOM 237 N ASP A 30 -9.004 -23.529 6.029 1.00 0.00 N
239
+ ATOM 238 CA ASP A 30 -7.889 -24.321 5.517 1.00 0.00 C
240
+ ATOM 239 C ASP A 30 -7.454 -23.830 4.139 1.00 0.00 C
241
+ ATOM 240 CB ASP A 30 -8.267 -25.803 5.454 1.00 0.00 C
242
+ ATOM 241 O ASP A 30 -6.258 -23.770 3.844 1.00 0.00 O
243
+ ATOM 242 CG ASP A 30 -8.328 -26.458 6.822 1.00 0.00 C
244
+ ATOM 243 OD1 ASP A 30 -7.731 -25.924 7.782 1.00 0.00 O
245
+ ATOM 244 OD2 ASP A 30 -8.976 -27.520 6.941 1.00 0.00 O
246
+ ATOM 245 N SER A 31 -8.466 -23.508 3.393 1.00 0.00 N
247
+ ATOM 246 CA SER A 31 -8.149 -23.038 2.048 1.00 0.00 C
248
+ ATOM 247 C SER A 31 -7.399 -21.711 2.089 1.00 0.00 C
249
+ ATOM 248 CB SER A 31 -9.425 -22.888 1.219 1.00 0.00 C
250
+ ATOM 249 O SER A 31 -6.442 -21.509 1.339 1.00 0.00 O
251
+ ATOM 250 OG SER A 31 -10.308 -21.955 1.819 1.00 0.00 O
252
+ ATOM 251 N ASP A 32 -7.828 -20.811 2.914 1.00 0.00 N
253
+ ATOM 252 CA ASP A 32 -7.137 -19.535 3.071 1.00 0.00 C
254
+ ATOM 253 C ASP A 32 -5.713 -19.741 3.584 1.00 0.00 C
255
+ ATOM 254 CB ASP A 32 -7.912 -18.619 4.021 1.00 0.00 C
256
+ ATOM 255 O ASP A 32 -4.781 -19.077 3.127 1.00 0.00 O
257
+ ATOM 256 CG ASP A 32 -9.183 -18.063 3.403 1.00 0.00 C
258
+ ATOM 257 OD1 ASP A 32 -9.325 -18.102 2.162 1.00 0.00 O
259
+ ATOM 258 OD2 ASP A 32 -10.049 -17.581 4.164 1.00 0.00 O
260
+ ATOM 259 N ARG A 33 -5.531 -20.625 4.452 1.00 0.00 N
261
+ ATOM 260 CA ARG A 33 -4.212 -20.907 5.008 1.00 0.00 C
262
+ ATOM 261 C ARG A 33 -3.258 -21.408 3.927 1.00 0.00 C
263
+ ATOM 262 CB ARG A 33 -4.312 -21.935 6.137 1.00 0.00 C
264
+ ATOM 263 O ARG A 33 -2.091 -21.010 3.890 1.00 0.00 O
265
+ ATOM 264 CG ARG A 33 -4.996 -21.411 7.388 1.00 0.00 C
266
+ ATOM 265 CD ARG A 33 -5.013 -22.451 8.499 1.00 0.00 C
267
+ ATOM 266 NE ARG A 33 -5.674 -21.947 9.700 1.00 0.00 N
268
+ ATOM 267 NH1 ARG A 33 -4.795 -23.553 11.109 1.00 0.00 N
269
+ ATOM 268 NH2 ARG A 33 -6.202 -21.942 11.935 1.00 0.00 N
270
+ ATOM 269 CZ ARG A 33 -5.555 -22.481 10.912 1.00 0.00 C
271
+ ATOM 270 N GLN A 34 -3.787 -22.256 3.111 1.00 0.00 N
272
+ ATOM 271 CA GLN A 34 -2.960 -22.801 2.040 1.00 0.00 C
273
+ ATOM 272 C GLN A 34 -2.515 -21.705 1.077 1.00 0.00 C
274
+ ATOM 273 CB GLN A 34 -3.716 -23.893 1.281 1.00 0.00 C
275
+ ATOM 274 O GLN A 34 -1.351 -21.660 0.675 1.00 0.00 O
276
+ ATOM 275 CG GLN A 34 -2.882 -24.588 0.212 1.00 0.00 C
277
+ ATOM 276 CD GLN A 34 -3.615 -25.742 -0.445 1.00 0.00 C
278
+ ATOM 277 NE2 GLN A 34 -2.972 -26.374 -1.420 1.00 0.00 N
279
+ ATOM 278 OE1 GLN A 34 -4.749 -26.064 -0.078 1.00 0.00 O
280
+ ATOM 279 N ILE A 35 -3.454 -20.846 0.704 1.00 0.00 N
281
+ ATOM 280 CA ILE A 35 -3.153 -19.751 -0.212 1.00 0.00 C
282
+ ATOM 281 C ILE A 35 -2.108 -18.828 0.411 1.00 0.00 C
283
+ ATOM 282 CB ILE A 35 -4.425 -18.952 -0.576 1.00 0.00 C
284
+ ATOM 283 O ILE A 35 -1.141 -18.440 -0.249 1.00 0.00 O
285
+ ATOM 284 CG1 ILE A 35 -5.342 -19.790 -1.474 1.00 0.00 C
286
+ ATOM 285 CG2 ILE A 35 -4.056 -17.629 -1.253 1.00 0.00 C
287
+ ATOM 286 CD1 ILE A 35 -6.738 -19.207 -1.648 1.00 0.00 C
288
+ ATOM 287 N ILE A 36 -2.245 -18.502 1.688 1.00 0.00 N
289
+ ATOM 288 CA ILE A 36 -1.334 -17.602 2.387 1.00 0.00 C
290
+ ATOM 289 C ILE A 36 0.046 -18.247 2.495 1.00 0.00 C
291
+ ATOM 290 CB ILE A 36 -1.866 -17.237 3.791 1.00 0.00 C
292
+ ATOM 291 O ILE A 36 1.065 -17.588 2.275 1.00 0.00 O
293
+ ATOM 292 CG1 ILE A 36 -3.091 -16.323 3.676 1.00 0.00 C
294
+ ATOM 293 CG2 ILE A 36 -0.768 -16.579 4.630 1.00 0.00 C
295
+ ATOM 294 CD1 ILE A 36 -3.842 -16.127 4.986 1.00 0.00 C
296
+ ATOM 295 N ASN A 37 0.112 -19.495 2.758 1.00 0.00 N
297
+ ATOM 296 CA ASN A 37 1.387 -20.201 2.839 1.00 0.00 C
298
+ ATOM 297 C ASN A 37 2.120 -20.187 1.501 1.00 0.00 C
299
+ ATOM 298 CB ASN A 37 1.176 -21.639 3.314 1.00 0.00 C
300
+ ATOM 299 O ASN A 37 3.342 -20.030 1.459 1.00 0.00 O
301
+ ATOM 300 CG ASN A 37 1.017 -21.740 4.819 1.00 0.00 C
302
+ ATOM 301 ND2 ASN A 37 0.323 -22.776 5.274 1.00 0.00 N
303
+ ATOM 302 OD1 ASN A 37 1.514 -20.892 5.565 1.00 0.00 O
304
+ ATOM 303 N GLU A 38 1.339 -20.384 0.485 1.00 0.00 N
305
+ ATOM 304 CA GLU A 38 1.953 -20.352 -0.840 1.00 0.00 C
306
+ ATOM 305 C GLU A 38 2.545 -18.979 -1.140 1.00 0.00 C
307
+ ATOM 306 CB GLU A 38 0.930 -20.730 -1.915 1.00 0.00 C
308
+ ATOM 307 O GLU A 38 3.668 -18.877 -1.640 1.00 0.00 O
309
+ ATOM 308 CG GLU A 38 0.561 -22.206 -1.921 1.00 0.00 C
310
+ ATOM 309 CD GLU A 38 -0.579 -22.536 -2.869 1.00 0.00 C
311
+ ATOM 310 OE1 GLU A 38 -1.037 -21.632 -3.606 1.00 0.00 O
312
+ ATOM 311 OE2 GLU A 38 -1.020 -23.707 -2.877 1.00 0.00 O
313
+ ATOM 312 N LYS A 39 1.825 -17.961 -0.764 1.00 0.00 N
314
+ ATOM 313 CA LYS A 39 2.299 -16.596 -0.976 1.00 0.00 C
315
+ ATOM 314 C LYS A 39 3.523 -16.300 -0.115 1.00 0.00 C
316
+ ATOM 315 CB LYS A 39 1.189 -15.588 -0.674 1.00 0.00 C
317
+ ATOM 316 O LYS A 39 4.482 -15.680 -0.581 1.00 0.00 O
318
+ ATOM 317 CG LYS A 39 0.063 -15.583 -1.698 1.00 0.00 C
319
+ ATOM 318 CD LYS A 39 -1.016 -14.569 -1.337 1.00 0.00 C
320
+ ATOM 319 CE LYS A 39 -2.122 -14.533 -2.382 1.00 0.00 C
321
+ ATOM 320 NZ LYS A 39 -3.167 -13.520 -2.047 1.00 0.00 N
322
+ ATOM 321 N MET A 40 3.422 -16.785 1.121 1.00 0.00 N
323
+ ATOM 322 CA MET A 40 4.540 -16.578 2.037 1.00 0.00 C
324
+ ATOM 323 C MET A 40 5.807 -17.241 1.508 1.00 0.00 C
325
+ ATOM 324 CB MET A 40 4.205 -17.124 3.427 1.00 0.00 C
326
+ ATOM 325 O MET A 40 6.896 -16.673 1.604 1.00 0.00 O
327
+ ATOM 326 CG MET A 40 3.183 -16.291 4.182 1.00 0.00 C
328
+ ATOM 327 SD MET A 40 3.785 -14.597 4.546 1.00 0.00 S
329
+ ATOM 328 CE MET A 40 4.941 -14.952 5.899 1.00 0.00 C
330
+ ATOM 329 N GLN A 41 5.670 -18.392 0.914 1.00 0.00 N
331
+ ATOM 330 CA GLN A 41 6.831 -19.081 0.360 1.00 0.00 C
332
+ ATOM 331 C GLN A 41 7.399 -18.324 -0.838 1.00 0.00 C
333
+ ATOM 332 CB GLN A 41 6.465 -20.509 -0.047 1.00 0.00 C
334
+ ATOM 333 O GLN A 41 8.617 -18.224 -0.994 1.00 0.00 O
335
+ ATOM 334 CG GLN A 41 7.665 -21.372 -0.411 1.00 0.00 C
336
+ ATOM 335 CD GLN A 41 8.692 -21.448 0.703 1.00 0.00 C
337
+ ATOM 336 NE2 GLN A 41 9.965 -21.305 0.347 1.00 0.00 N
338
+ ATOM 337 OE1 GLN A 41 8.346 -21.634 1.874 1.00 0.00 O
339
+ ATOM 338 N LEU A 42 6.517 -17.794 -1.691 1.00 0.00 N
340
+ ATOM 339 CA LEU A 42 6.967 -17.000 -2.829 1.00 0.00 C
341
+ ATOM 340 C LEU A 42 7.709 -15.753 -2.362 1.00 0.00 C
342
+ ATOM 341 CB LEU A 42 5.779 -16.602 -3.709 1.00 0.00 C
343
+ ATOM 342 O LEU A 42 8.748 -15.396 -2.923 1.00 0.00 O
344
+ ATOM 343 CG LEU A 42 5.140 -17.721 -4.532 1.00 0.00 C
345
+ ATOM 344 CD1 LEU A 42 3.814 -17.253 -5.125 1.00 0.00 C
346
+ ATOM 345 CD2 LEU A 42 6.087 -18.186 -5.632 1.00 0.00 C
347
+ ATOM 346 N LEU A 43 7.179 -15.109 -1.354 1.00 0.00 N
348
+ ATOM 347 CA LEU A 43 7.832 -13.926 -0.805 1.00 0.00 C
349
+ ATOM 348 C LEU A 43 9.205 -14.275 -0.241 1.00 0.00 C
350
+ ATOM 349 CB LEU A 43 6.965 -13.292 0.287 1.00 0.00 C
351
+ ATOM 350 O LEU A 43 10.173 -13.541 -0.451 1.00 0.00 O
352
+ ATOM 351 CG LEU A 43 5.666 -12.632 -0.178 1.00 0.00 C
353
+ ATOM 352 CD1 LEU A 43 4.816 -12.233 1.024 1.00 0.00 C
354
+ ATOM 353 CD2 LEU A 43 5.965 -11.421 -1.054 1.00 0.00 C
355
+ ATOM 354 N LYS A 44 9.266 -15.372 0.483 1.00 0.00 N
356
+ ATOM 355 CA LYS A 44 10.548 -15.831 1.008 1.00 0.00 C
357
+ ATOM 356 C LYS A 44 11.570 -16.008 -0.111 1.00 0.00 C
358
+ ATOM 357 CB LYS A 44 10.376 -17.145 1.773 1.00 0.00 C
359
+ ATOM 358 O LYS A 44 12.719 -15.580 0.018 1.00 0.00 O
360
+ ATOM 359 CG LYS A 44 11.634 -17.614 2.488 1.00 0.00 C
361
+ ATOM 360 CD LYS A 44 11.376 -18.873 3.305 1.00 0.00 C
362
+ ATOM 361 CE LYS A 44 12.639 -19.357 4.004 1.00 0.00 C
363
+ ATOM 362 NZ LYS A 44 12.372 -20.541 4.874 1.00 0.00 N
364
+ ATOM 363 N ASP A 45 11.144 -16.609 -1.209 1.00 0.00 N
365
+ ATOM 364 CA ASP A 45 12.039 -16.842 -2.339 1.00 0.00 C
366
+ ATOM 365 C ASP A 45 12.483 -15.525 -2.969 1.00 0.00 C
367
+ ATOM 366 CB ASP A 45 11.360 -17.726 -3.388 1.00 0.00 C
368
+ ATOM 367 O ASP A 45 13.649 -15.369 -3.339 1.00 0.00 O
369
+ ATOM 368 CG ASP A 45 11.239 -19.175 -2.953 1.00 0.00 C
370
+ ATOM 369 OD1 ASP A 45 11.882 -19.570 -1.957 1.00 0.00 O
371
+ ATOM 370 OD2 ASP A 45 10.496 -19.932 -3.616 1.00 0.00 O
372
+ ATOM 371 N ILE A 46 11.601 -14.575 -3.053 1.00 0.00 N
373
+ ATOM 372 CA ILE A 46 11.931 -13.287 -3.654 1.00 0.00 C
374
+ ATOM 373 C ILE A 46 12.939 -12.550 -2.774 1.00 0.00 C
375
+ ATOM 374 CB ILE A 46 10.669 -12.421 -3.863 1.00 0.00 C
376
+ ATOM 375 O ILE A 46 13.939 -12.027 -3.269 1.00 0.00 O
377
+ ATOM 376 CG1 ILE A 46 9.829 -12.973 -5.022 1.00 0.00 C
378
+ ATOM 377 CG2 ILE A 46 11.051 -10.959 -4.112 1.00 0.00 C
379
+ ATOM 378 CD1 ILE A 46 8.429 -12.381 -5.108 1.00 0.00 C
380
+ ATOM 379 N PHE A 47 12.742 -12.515 -1.525 1.00 0.00 N
381
+ ATOM 380 CA PHE A 47 13.666 -11.815 -0.641 1.00 0.00 C
382
+ ATOM 381 C PHE A 47 15.025 -12.505 -0.622 1.00 0.00 C
383
+ ATOM 382 CB PHE A 47 13.098 -11.737 0.779 1.00 0.00 C
384
+ ATOM 383 O PHE A 47 16.064 -11.843 -0.653 1.00 0.00 O
385
+ ATOM 384 CG PHE A 47 12.235 -10.528 1.021 1.00 0.00 C
386
+ ATOM 385 CD1 PHE A 47 12.802 -9.312 1.380 1.00 0.00 C
387
+ ATOM 386 CD2 PHE A 47 10.854 -10.609 0.891 1.00 0.00 C
388
+ ATOM 387 CE1 PHE A 47 12.005 -8.191 1.605 1.00 0.00 C
389
+ ATOM 388 CE2 PHE A 47 10.052 -9.494 1.114 1.00 0.00 C
390
+ ATOM 389 CZ PHE A 47 10.629 -8.286 1.472 1.00 0.00 C
391
+ ATOM 390 N ALA A 48 15.013 -13.790 -0.581 1.00 0.00 N
392
+ ATOM 391 CA ALA A 48 16.262 -14.538 -0.459 1.00 0.00 C
393
+ ATOM 392 C ALA A 48 17.046 -14.512 -1.767 1.00 0.00 C
394
+ ATOM 393 CB ALA A 48 15.980 -15.979 -0.040 1.00 0.00 C
395
+ ATOM 394 O ALA A 48 18.254 -14.265 -1.769 1.00 0.00 O
396
+ ATOM 395 N ASN A 49 16.363 -14.668 -2.921 1.00 0.00 N
397
+ ATOM 396 CA ASN A 49 17.072 -14.953 -4.164 1.00 0.00 C
398
+ ATOM 397 C ASN A 49 17.141 -13.722 -5.064 1.00 0.00 C
399
+ ATOM 398 CB ASN A 49 16.410 -16.117 -4.906 1.00 0.00 C
400
+ ATOM 399 O ASN A 49 18.106 -13.548 -5.811 1.00 0.00 O
401
+ ATOM 400 CG ASN A 49 16.474 -17.416 -4.129 1.00 0.00 C
402
+ ATOM 401 ND2 ASN A 49 15.366 -18.147 -4.102 1.00 0.00 N
403
+ ATOM 402 OD1 ASN A 49 17.511 -17.761 -3.556 1.00 0.00 O
404
+ ATOM 403 N ASN A 50 16.143 -12.963 -4.985 1.00 0.00 N
405
+ ATOM 404 CA ASN A 50 16.109 -11.825 -5.897 1.00 0.00 C
406
+ ATOM 405 C ASN A 50 16.555 -10.540 -5.204 1.00 0.00 C
407
+ ATOM 406 CB ASN A 50 14.709 -11.651 -6.487 1.00 0.00 C
408
+ ATOM 407 O ASN A 50 17.334 -9.766 -5.765 1.00 0.00 O
409
+ ATOM 408 CG ASN A 50 14.276 -12.839 -7.325 1.00 0.00 C
410
+ ATOM 409 ND2 ASN A 50 14.765 -12.903 -8.558 1.00 0.00 N
411
+ ATOM 410 OD1 ASN A 50 13.509 -13.690 -6.869 1.00 0.00 O
412
+ ATOM 411 N LEU A 51 16.129 -10.394 -3.966 1.00 0.00 N
413
+ ATOM 412 CA LEU A 51 16.451 -9.163 -3.254 1.00 0.00 C
414
+ ATOM 413 C LEU A 51 17.686 -9.349 -2.378 1.00 0.00 C
415
+ ATOM 414 CB LEU A 51 15.266 -8.711 -2.397 1.00 0.00 C
416
+ ATOM 415 O LEU A 51 18.186 -8.387 -1.790 1.00 0.00 O
417
+ ATOM 416 CG LEU A 51 13.984 -8.350 -3.150 1.00 0.00 C
418
+ ATOM 417 CD1 LEU A 51 12.877 -7.986 -2.166 1.00 0.00 C
419
+ ATOM 418 CD2 LEU A 51 14.240 -7.206 -4.124 1.00 0.00 C
420
+ ATOM 419 N LYS A 52 18.131 -10.566 -2.202 1.00 0.00 N
421
+ ATOM 420 CA LYS A 52 19.368 -10.951 -1.530 1.00 0.00 C
422
+ ATOM 421 C LYS A 52 19.356 -10.523 -0.066 1.00 0.00 C
423
+ ATOM 422 CB LYS A 52 20.578 -10.346 -2.243 1.00 0.00 C
424
+ ATOM 423 O LYS A 52 20.403 -10.210 0.504 1.00 0.00 O
425
+ ATOM 424 CG LYS A 52 20.683 -10.723 -3.713 1.00 0.00 C
426
+ ATOM 425 CD LYS A 52 20.909 -12.219 -3.893 1.00 0.00 C
427
+ ATOM 426 CE LYS A 52 21.094 -12.585 -5.358 1.00 0.00 C
428
+ ATOM 427 NZ LYS A 52 21.114 -14.065 -5.561 1.00 0.00 N
429
+ ATOM 428 N SER A 53 18.185 -10.444 0.493 1.00 0.00 N
430
+ ATOM 429 CA SER A 53 18.055 -10.190 1.924 1.00 0.00 C
431
+ ATOM 430 C SER A 53 18.452 -11.415 2.741 1.00 0.00 C
432
+ ATOM 431 CB SER A 53 16.622 -9.779 2.267 1.00 0.00 C
433
+ ATOM 432 O SER A 53 18.377 -12.545 2.252 1.00 0.00 O
434
+ ATOM 433 OG SER A 53 16.259 -8.594 1.581 1.00 0.00 O
435
+ ATOM 434 N ALA A 54 18.873 -11.127 3.949 1.00 0.00 N
436
+ ATOM 435 CA ALA A 54 19.136 -12.226 4.873 1.00 0.00 C
437
+ ATOM 436 C ALA A 54 17.843 -12.727 5.511 1.00 0.00 C
438
+ ATOM 437 CB ALA A 54 20.124 -11.789 5.953 1.00 0.00 C
439
+ ATOM 438 O ALA A 54 17.141 -11.969 6.184 1.00 0.00 O
440
+ ATOM 439 N ILE A 55 17.551 -13.945 5.228 1.00 0.00 N
441
+ ATOM 440 CA ILE A 55 16.363 -14.553 5.820 1.00 0.00 C
442
+ ATOM 441 C ILE A 55 16.703 -15.110 7.200 1.00 0.00 C
443
+ ATOM 442 CB ILE A 55 15.790 -15.669 4.918 1.00 0.00 C
444
+ ATOM 443 O ILE A 55 17.643 -15.896 7.345 1.00 0.00 O
445
+ ATOM 444 CG1 ILE A 55 15.463 -15.114 3.526 1.00 0.00 C
446
+ ATOM 445 CG2 ILE A 55 14.553 -16.301 5.561 1.00 0.00 C
447
+ ATOM 446 CD1 ILE A 55 14.412 -14.012 3.532 1.00 0.00 C
448
+ ATOM 447 N SER A 56 15.976 -14.669 8.147 1.00 0.00 N
449
+ ATOM 448 CA SER A 56 16.223 -15.070 9.528 1.00 0.00 C
450
+ ATOM 449 C SER A 56 15.011 -15.780 10.123 1.00 0.00 C
451
+ ATOM 450 CB SER A 56 16.583 -13.856 10.384 1.00 0.00 C
452
+ ATOM 451 O SER A 56 13.869 -15.424 9.826 1.00 0.00 O
453
+ ATOM 452 OG SER A 56 16.732 -14.224 11.744 1.00 0.00 O
454
+ ATOM 453 N ASN A 57 15.289 -16.771 10.982 1.00 0.00 N
455
+ ATOM 454 CA ASN A 57 14.235 -17.416 11.757 1.00 0.00 C
456
+ ATOM 455 C ASN A 57 14.015 -16.716 13.095 1.00 0.00 C
457
+ ATOM 456 CB ASN A 57 14.558 -18.895 11.977 1.00 0.00 C
458
+ ATOM 457 O ASN A 57 13.156 -17.123 13.879 1.00 0.00 O
459
+ ATOM 458 CG ASN A 57 14.530 -19.697 10.690 1.00 0.00 C
460
+ ATOM 459 ND2 ASN A 57 15.355 -20.735 10.621 1.00 0.00 N
461
+ ATOM 460 OD1 ASN A 57 13.774 -19.385 9.766 1.00 0.00 O
462
+ ATOM 461 N ASN A 58 14.814 -15.790 13.381 1.00 0.00 N
463
+ ATOM 462 CA ASN A 58 14.683 -15.042 14.626 1.00 0.00 C
464
+ ATOM 463 C ASN A 58 14.074 -13.663 14.390 1.00 0.00 C
465
+ ATOM 464 CB ASN A 58 16.040 -14.911 15.320 1.00 0.00 C
466
+ ATOM 465 O ASN A 58 14.795 -12.696 14.142 1.00 0.00 O
467
+ ATOM 466 CG ASN A 58 15.927 -14.361 16.728 1.00 0.00 C
468
+ ATOM 467 ND2 ASN A 58 17.039 -14.350 17.452 1.00 0.00 N
469
+ ATOM 468 OD1 ASN A 58 14.847 -13.949 17.160 1.00 0.00 O
470
+ ATOM 469 N PHE A 59 12.689 -13.566 14.606 1.00 0.00 N
471
+ ATOM 470 CA PHE A 59 12.006 -12.316 14.295 1.00 0.00 C
472
+ ATOM 471 C PHE A 59 12.359 -11.238 15.314 1.00 0.00 C
473
+ ATOM 472 CB PHE A 59 10.489 -12.526 14.257 1.00 0.00 C
474
+ ATOM 473 O PHE A 59 12.263 -10.045 15.021 1.00 0.00 O
475
+ ATOM 474 CG PHE A 59 9.914 -13.036 15.551 1.00 0.00 C
476
+ ATOM 475 CD1 PHE A 59 9.601 -14.381 15.707 1.00 0.00 C
477
+ ATOM 476 CD2 PHE A 59 9.687 -12.170 16.613 1.00 0.00 C
478
+ ATOM 477 CE1 PHE A 59 9.069 -14.855 16.903 1.00 0.00 C
479
+ ATOM 478 CE2 PHE A 59 9.155 -12.637 17.812 1.00 0.00 C
480
+ ATOM 479 CZ PHE A 59 8.846 -13.980 17.954 1.00 0.00 C
481
+ ATOM 480 N ARG A 60 12.874 -11.526 16.478 1.00 0.00 N
482
+ ATOM 481 CA ARG A 60 13.210 -10.530 17.492 1.00 0.00 C
483
+ ATOM 482 C ARG A 60 14.424 -9.708 17.072 1.00 0.00 C
484
+ ATOM 483 CB ARG A 60 13.472 -11.203 18.840 1.00 0.00 C
485
+ ATOM 484 O ARG A 60 14.617 -8.588 17.549 1.00 0.00 O
486
+ ATOM 485 CG ARG A 60 12.237 -11.829 19.468 1.00 0.00 C
487
+ ATOM 486 CD ARG A 60 12.561 -12.514 20.788 1.00 0.00 C
488
+ ATOM 487 NE ARG A 60 11.357 -13.016 21.444 1.00 0.00 N
489
+ ATOM 488 NH1 ARG A 60 11.054 -11.152 22.775 1.00 0.00 N
490
+ ATOM 489 NH2 ARG A 60 9.587 -12.909 22.904 1.00 0.00 N
491
+ ATOM 490 CZ ARG A 60 10.669 -12.358 22.373 1.00 0.00 C
492
+ ATOM 491 N GLU A 61 15.191 -10.218 16.130 1.00 0.00 N
493
+ ATOM 492 CA GLU A 61 16.429 -9.564 15.714 1.00 0.00 C
494
+ ATOM 493 C GLU A 61 16.352 -9.115 14.258 1.00 0.00 C
495
+ ATOM 494 CB GLU A 61 17.624 -10.499 15.914 1.00 0.00 C
496
+ ATOM 495 O GLU A 61 17.332 -8.611 13.705 1.00 0.00 O
497
+ ATOM 496 CG GLU A 61 17.900 -10.842 17.370 1.00 0.00 C
498
+ ATOM 497 CD GLU A 61 19.051 -11.819 17.549 1.00 0.00 C
499
+ ATOM 498 OE1 GLU A 61 19.680 -12.207 16.538 1.00 0.00 O
500
+ ATOM 499 OE2 GLU A 61 19.325 -12.201 18.708 1.00 0.00 O
501
+ ATOM 500 N SER A 62 15.250 -9.325 13.696 1.00 0.00 N
502
+ ATOM 501 CA SER A 62 15.116 -9.027 12.273 1.00 0.00 C
503
+ ATOM 502 C SER A 62 14.691 -7.579 12.050 1.00 0.00 C
504
+ ATOM 503 CB SER A 62 14.107 -9.970 11.620 1.00 0.00 C
505
+ ATOM 504 O SER A 62 14.028 -6.983 12.901 1.00 0.00 O
506
+ ATOM 505 OG SER A 62 14.618 -11.291 11.558 1.00 0.00 O
507
+ ATOM 506 N ASP A 63 15.050 -6.962 10.874 1.00 0.00 N
508
+ ATOM 507 CA ASP A 63 14.701 -5.599 10.489 1.00 0.00 C
509
+ ATOM 508 C ASP A 63 13.260 -5.520 9.990 1.00 0.00 C
510
+ ATOM 509 CB ASP A 63 15.658 -5.083 9.412 1.00 0.00 C
511
+ ATOM 510 O ASP A 63 12.553 -4.550 10.269 1.00 0.00 O
512
+ ATOM 511 CG ASP A 63 17.095 -4.983 9.895 1.00 0.00 C
513
+ ATOM 512 OD1 ASP A 63 17.338 -4.387 10.966 1.00 0.00 O
514
+ ATOM 513 OD2 ASP A 63 17.992 -5.504 9.196 1.00 0.00 O
515
+ ATOM 514 N ILE A 64 12.873 -6.560 9.291 1.00 0.00 N
516
+ ATOM 515 CA ILE A 64 11.516 -6.673 8.766 1.00 0.00 C
517
+ ATOM 516 C ILE A 64 10.919 -8.021 9.163 1.00 0.00 C
518
+ ATOM 517 CB ILE A 64 11.490 -6.506 7.230 1.00 0.00 C
519
+ ATOM 518 O ILE A 64 11.579 -9.057 9.053 1.00 0.00 O
520
+ ATOM 519 CG1 ILE A 64 11.942 -5.095 6.838 1.00 0.00 C
521
+ ATOM 520 CG2 ILE A 64 10.093 -6.808 6.678 1.00 0.00 C
522
+ ATOM 521 CD1 ILE A 64 12.049 -4.875 5.335 1.00 0.00 C
523
+ ATOM 522 N ILE A 65 9.717 -7.938 9.642 1.00 0.00 N
524
+ ATOM 523 CA ILE A 65 8.984 -9.135 10.040 1.00 0.00 C
525
+ ATOM 524 C ILE A 65 7.715 -9.265 9.202 1.00 0.00 C
526
+ ATOM 525 CB ILE A 65 8.632 -9.107 11.545 1.00 0.00 C
527
+ ATOM 526 O ILE A 65 6.817 -8.424 9.288 1.00 0.00 O
528
+ ATOM 527 CG1 ILE A 65 9.899 -8.915 12.386 1.00 0.00 C
529
+ ATOM 528 CG2 ILE A 65 7.895 -10.388 11.950 1.00 0.00 C
530
+ ATOM 529 CD1 ILE A 65 9.629 -8.507 13.827 1.00 0.00 C
531
+ ATOM 530 N ILE A 66 7.637 -10.194 8.425 1.00 0.00 N
532
+ ATOM 531 CA ILE A 66 6.498 -10.404 7.537 1.00 0.00 C
533
+ ATOM 532 C ILE A 66 5.496 -11.346 8.198 1.00 0.00 C
534
+ ATOM 533 CB ILE A 66 6.945 -10.969 6.169 1.00 0.00 C
535
+ ATOM 534 O ILE A 66 5.844 -12.467 8.577 1.00 0.00 O
536
+ ATOM 535 CG1 ILE A 66 7.940 -10.016 5.497 1.00 0.00 C
537
+ ATOM 536 CG2 ILE A 66 5.732 -11.220 5.268 1.00 0.00 C
538
+ ATOM 537 CD1 ILE A 66 8.581 -10.580 4.236 1.00 0.00 C
539
+ ATOM 538 N LEU A 67 4.284 -10.875 8.272 1.00 0.00 N
540
+ ATOM 539 CA LEU A 67 3.203 -11.592 8.939 1.00 0.00 C
541
+ ATOM 540 C LEU A 67 2.184 -12.103 7.926 1.00 0.00 C
542
+ ATOM 541 CB LEU A 67 2.511 -10.687 9.962 1.00 0.00 C
543
+ ATOM 542 O LEU A 67 2.057 -11.549 6.832 1.00 0.00 O
544
+ ATOM 543 CG LEU A 67 3.421 -9.993 10.978 1.00 0.00 C
545
+ ATOM 544 CD1 LEU A 67 2.605 -9.064 11.870 1.00 0.00 C
546
+ ATOM 545 CD2 LEU A 67 4.173 -11.024 11.814 1.00 0.00 C
547
+ ATOM 546 N LYS A 68 1.429 -13.090 8.304 1.00 0.00 N
548
+ ATOM 547 CA LYS A 68 0.386 -13.651 7.449 1.00 0.00 C
549
+ ATOM 548 C LYS A 68 -0.894 -12.824 7.532 1.00 0.00 C
550
+ ATOM 549 CB LYS A 68 0.100 -15.102 7.834 1.00 0.00 C
551
+ ATOM 550 O LYS A 68 -1.876 -13.121 6.847 1.00 0.00 O
552
+ ATOM 551 CG LYS A 68 1.197 -16.078 7.433 1.00 0.00 C
553
+ ATOM 552 CD LYS A 68 0.853 -17.504 7.841 1.00 0.00 C
554
+ ATOM 553 CE LYS A 68 1.928 -18.487 7.398 1.00 0.00 C
555
+ ATOM 554 NZ LYS A 68 1.710 -19.846 7.980 1.00 0.00 N
556
+ ATOM 555 N GLY A 69 -0.931 -11.792 8.300 1.00 0.00 N
557
+ ATOM 556 CA GLY A 69 -2.000 -10.825 8.494 1.00 0.00 C
558
+ ATOM 557 C GLY A 69 -1.550 -9.578 9.230 1.00 0.00 C
559
+ ATOM 558 O GLY A 69 -0.360 -9.409 9.508 1.00 0.00 O
560
+ ATOM 559 N GLU A 70 -2.496 -8.669 9.516 1.00 0.00 N
561
+ ATOM 560 CA GLU A 70 -2.172 -7.503 10.334 1.00 0.00 C
562
+ ATOM 561 C GLU A 70 -1.898 -7.904 11.781 1.00 0.00 C
563
+ ATOM 562 CB GLU A 70 -3.304 -6.475 10.279 1.00 0.00 C
564
+ ATOM 563 O GLU A 70 -2.503 -8.847 12.295 1.00 0.00 O
565
+ ATOM 564 CG GLU A 70 -3.641 -6.006 8.871 1.00 0.00 C
566
+ ATOM 565 CD GLU A 70 -2.501 -5.256 8.200 1.00 0.00 C
567
+ ATOM 566 OE1 GLU A 70 -1.716 -4.584 8.908 1.00 0.00 O
568
+ ATOM 567 OE2 GLU A 70 -2.392 -5.340 6.957 1.00 0.00 O
569
+ ATOM 568 N ILE A 71 -0.976 -7.154 12.404 1.00 0.00 N
570
+ ATOM 569 CA ILE A 71 -0.546 -7.486 13.758 1.00 0.00 C
571
+ ATOM 570 C ILE A 71 -1.752 -7.492 14.696 1.00 0.00 C
572
+ ATOM 571 CB ILE A 71 0.524 -6.495 14.269 1.00 0.00 C
573
+ ATOM 572 O ILE A 71 -1.835 -8.321 15.605 1.00 0.00 O
574
+ ATOM 573 CG1 ILE A 71 1.051 -6.937 15.639 1.00 0.00 C
575
+ ATOM 574 CG2 ILE A 71 -0.043 -5.073 14.333 1.00 0.00 C
576
+ ATOM 575 CD1 ILE A 71 1.664 -8.331 15.646 1.00 0.00 C
577
+ ATOM 576 N GLU A 72 -2.816 -6.724 14.427 1.00 0.00 N
578
+ ATOM 577 CA GLU A 72 -4.007 -6.603 15.263 1.00 0.00 C
579
+ ATOM 578 C GLU A 72 -4.876 -7.854 15.169 1.00 0.00 C
580
+ ATOM 579 CB GLU A 72 -4.818 -5.368 14.869 1.00 0.00 C
581
+ ATOM 580 O GLU A 72 -5.706 -8.107 16.045 1.00 0.00 O
582
+ ATOM 581 CG GLU A 72 -4.136 -4.049 15.210 1.00 0.00 C
583
+ ATOM 582 CD GLU A 72 -3.048 -3.663 14.222 1.00 0.00 C
584
+ ATOM 583 OE1 GLU A 72 -2.985 -4.263 13.123 1.00 0.00 O
585
+ ATOM 584 OE2 GLU A 72 -2.250 -2.756 14.547 1.00 0.00 O
586
+ ATOM 585 N ASP A 73 -4.671 -8.607 14.176 1.00 0.00 N
587
+ ATOM 586 CA ASP A 73 -5.503 -9.784 13.953 1.00 0.00 C
588
+ ATOM 587 C ASP A 73 -4.966 -10.990 14.721 1.00 0.00 C
589
+ ATOM 588 CB ASP A 73 -5.589 -10.107 12.460 1.00 0.00 C
590
+ ATOM 589 O ASP A 73 -5.598 -12.048 14.747 1.00 0.00 O
591
+ ATOM 590 CG ASP A 73 -6.286 -9.022 11.659 1.00 0.00 C
592
+ ATOM 591 OD1 ASP A 73 -7.166 -8.326 12.210 1.00 0.00 O
593
+ ATOM 592 OD2 ASP A 73 -5.956 -8.864 10.464 1.00 0.00 O
594
+ ATOM 593 N TYR A 74 -3.791 -10.922 15.261 1.00 0.00 N
595
+ ATOM 594 CA TYR A 74 -3.225 -12.024 16.032 1.00 0.00 C
596
+ ATOM 595 C TYR A 74 -3.753 -12.014 17.462 1.00 0.00 C
597
+ ATOM 596 CB TYR A 74 -1.696 -11.947 16.039 1.00 0.00 C
598
+ ATOM 597 O TYR A 74 -3.962 -10.948 18.047 1.00 0.00 O
599
+ ATOM 598 CG TYR A 74 -1.061 -12.393 14.745 1.00 0.00 C
600
+ ATOM 599 CD1 TYR A 74 -0.491 -13.659 14.627 1.00 0.00 C
601
+ ATOM 600 CD2 TYR A 74 -1.027 -11.550 13.639 1.00 0.00 C
602
+ ATOM 601 CE1 TYR A 74 0.098 -14.074 13.437 1.00 0.00 C
603
+ ATOM 602 CE2 TYR A 74 -0.440 -11.955 12.445 1.00 0.00 C
604
+ ATOM 603 OH TYR A 74 0.700 -13.623 11.173 1.00 0.00 O
605
+ ATOM 604 CZ TYR A 74 0.118 -13.217 12.353 1.00 0.00 C
606
+ ATOM 605 N PRO A 75 -4.032 -13.223 18.021 1.00 0.00 N
607
+ ATOM 606 CA PRO A 75 -4.449 -13.251 19.426 1.00 0.00 C
608
+ ATOM 607 C PRO A 75 -3.345 -12.795 20.378 1.00 0.00 C
609
+ ATOM 608 CB PRO A 75 -4.799 -14.722 19.661 1.00 0.00 C
610
+ ATOM 609 O PRO A 75 -2.160 -12.906 20.053 1.00 0.00 O
611
+ ATOM 610 CG PRO A 75 -3.961 -15.476 18.678 1.00 0.00 C
612
+ ATOM 611 CD PRO A 75 -3.822 -14.647 17.434 1.00 0.00 C
613
+ ATOM 612 N MET A 76 -3.771 -12.349 21.533 1.00 0.00 N
614
+ ATOM 613 CA MET A 76 -2.845 -11.797 22.517 1.00 0.00 C
615
+ ATOM 614 C MET A 76 -1.843 -12.853 22.972 1.00 0.00 C
616
+ ATOM 615 CB MET A 76 -3.607 -11.245 23.723 1.00 0.00 C
617
+ ATOM 616 O MET A 76 -0.747 -12.520 23.427 1.00 0.00 O
618
+ ATOM 617 CG MET A 76 -4.410 -9.990 23.419 1.00 0.00 C
619
+ ATOM 618 SD MET A 76 -3.353 -8.600 22.853 1.00 0.00 S
620
+ ATOM 619 CE MET A 76 -2.488 -8.206 24.399 1.00 0.00 C
621
+ ATOM 620 N SER A 77 -2.155 -14.137 22.790 1.00 0.00 N
622
+ ATOM 621 CA SER A 77 -1.309 -15.235 23.245 1.00 0.00 C
623
+ ATOM 622 C SER A 77 -0.262 -15.597 22.198 1.00 0.00 C
624
+ ATOM 623 CB SER A 77 -2.158 -16.464 23.576 1.00 0.00 C
625
+ ATOM 624 O SER A 77 0.638 -16.398 22.462 1.00 0.00 O
626
+ ATOM 625 OG SER A 77 -2.869 -16.908 22.433 1.00 0.00 O
627
+ ATOM 626 N SER A 78 -0.405 -14.981 21.019 1.00 0.00 N
628
+ ATOM 627 CA SER A 78 0.556 -15.248 19.954 1.00 0.00 C
629
+ ATOM 628 C SER A 78 1.941 -14.724 20.316 1.00 0.00 C
630
+ ATOM 629 CB SER A 78 0.091 -14.616 18.641 1.00 0.00 C
631
+ ATOM 630 O SER A 78 2.070 -13.647 20.902 1.00 0.00 O
632
+ ATOM 631 OG SER A 78 1.118 -14.666 17.666 1.00 0.00 O
633
+ ATOM 632 N GLU A 79 2.950 -15.492 19.995 1.00 0.00 N
634
+ ATOM 633 CA GLU A 79 4.325 -15.093 20.281 1.00 0.00 C
635
+ ATOM 634 C GLU A 79 4.662 -13.759 19.622 1.00 0.00 C
636
+ ATOM 635 CB GLU A 79 5.306 -16.173 19.817 1.00 0.00 C
637
+ ATOM 636 O GLU A 79 5.330 -12.916 20.223 1.00 0.00 O
638
+ ATOM 637 CG GLU A 79 6.737 -15.944 20.280 1.00 0.00 C
639
+ ATOM 638 CD GLU A 79 7.702 -17.018 19.800 1.00 0.00 C
640
+ ATOM 639 OE1 GLU A 79 7.259 -17.971 19.121 1.00 0.00 O
641
+ ATOM 640 OE2 GLU A 79 8.909 -16.904 20.107 1.00 0.00 O
642
+ ATOM 641 N ILE A 80 4.224 -13.576 18.387 1.00 0.00 N
643
+ ATOM 642 CA ILE A 80 4.538 -12.354 17.655 1.00 0.00 C
644
+ ATOM 643 C ILE A 80 3.801 -11.173 18.284 1.00 0.00 C
645
+ ATOM 644 CB ILE A 80 4.168 -12.481 16.160 1.00 0.00 C
646
+ ATOM 645 O ILE A 80 4.343 -10.068 18.363 1.00 0.00 O
647
+ ATOM 646 CG1 ILE A 80 4.759 -11.312 15.363 1.00 0.00 C
648
+ ATOM 647 CG2 ILE A 80 2.648 -12.552 15.983 1.00 0.00 C
649
+ ATOM 648 CD1 ILE A 80 6.273 -11.198 15.463 1.00 0.00 C
650
+ ATOM 649 N LYS A 81 2.504 -11.455 18.764 1.00 0.00 N
651
+ ATOM 650 CA LYS A 81 1.739 -10.403 19.429 1.00 0.00 C
652
+ ATOM 651 C LYS A 81 2.358 -10.043 20.777 1.00 0.00 C
653
+ ATOM 652 CB LYS A 81 0.284 -10.835 19.619 1.00 0.00 C
654
+ ATOM 653 O LYS A 81 2.439 -8.865 21.133 1.00 0.00 O
655
+ ATOM 654 CG LYS A 81 -0.623 -9.736 20.152 1.00 0.00 C
656
+ ATOM 655 CD LYS A 81 -0.952 -8.712 19.075 1.00 0.00 C
657
+ ATOM 656 CE LYS A 81 -2.030 -7.741 19.536 1.00 0.00 C
658
+ ATOM 657 NZ LYS A 81 -2.703 -7.071 18.383 1.00 0.00 N
659
+ ATOM 658 N ILE A 82 2.840 -10.989 21.442 1.00 0.00 N
660
+ ATOM 659 CA ILE A 82 3.530 -10.765 22.708 1.00 0.00 C
661
+ ATOM 660 C ILE A 82 4.801 -9.955 22.465 1.00 0.00 C
662
+ ATOM 661 CB ILE A 82 3.871 -12.099 23.410 1.00 0.00 C
663
+ ATOM 662 O ILE A 82 5.068 -8.980 23.173 1.00 0.00 O
664
+ ATOM 663 CG1 ILE A 82 2.597 -12.765 23.941 1.00 0.00 C
665
+ ATOM 664 CG2 ILE A 82 4.882 -11.873 24.537 1.00 0.00 C
666
+ ATOM 665 CD1 ILE A 82 2.797 -14.198 24.412 1.00 0.00 C
667
+ ATOM 666 N TYR A 83 5.573 -10.283 21.468 1.00 0.00 N
668
+ ATOM 667 CA TYR A 83 6.794 -9.564 21.119 1.00 0.00 C
669
+ ATOM 668 C TYR A 83 6.486 -8.118 20.750 1.00 0.00 C
670
+ ATOM 669 CB TYR A 83 7.514 -10.257 19.958 1.00 0.00 C
671
+ ATOM 670 O TYR A 83 7.131 -7.192 21.248 1.00 0.00 O
672
+ ATOM 671 CG TYR A 83 8.702 -9.487 19.436 1.00 0.00 C
673
+ ATOM 672 CD1 TYR A 83 9.705 -9.045 20.298 1.00 0.00 C
674
+ ATOM 673 CD2 TYR A 83 8.826 -9.200 18.081 1.00 0.00 C
675
+ ATOM 674 CE1 TYR A 83 10.800 -8.334 19.821 1.00 0.00 C
676
+ ATOM 675 CE2 TYR A 83 9.918 -8.490 17.593 1.00 0.00 C
677
+ ATOM 676 OH TYR A 83 11.982 -7.359 17.992 1.00 0.00 O
678
+ ATOM 677 CZ TYR A 83 10.899 -8.062 18.470 1.00 0.00 C
679
+ ATOM 678 N TYR A 84 5.525 -7.961 19.889 1.00 0.00 N
680
+ ATOM 679 CA TYR A 84 5.111 -6.622 19.483 1.00 0.00 C
681
+ ATOM 680 C TYR A 84 4.754 -5.771 20.696 1.00 0.00 C
682
+ ATOM 681 CB TYR A 84 3.917 -6.696 18.526 1.00 0.00 C
683
+ ATOM 682 O TYR A 84 5.158 -4.610 20.788 1.00 0.00 O
684
+ ATOM 683 CG TYR A 84 3.344 -5.346 18.166 1.00 0.00 C
685
+ ATOM 684 CD1 TYR A 84 4.004 -4.504 17.274 1.00 0.00 C
686
+ ATOM 685 CD2 TYR A 84 2.145 -4.910 18.717 1.00 0.00 C
687
+ ATOM 686 CE1 TYR A 84 3.481 -3.258 16.941 1.00 0.00 C
688
+ ATOM 687 CE2 TYR A 84 1.612 -3.668 18.391 1.00 0.00 C
689
+ ATOM 688 OH TYR A 84 1.765 -1.619 17.176 1.00 0.00 O
690
+ ATOM 689 CZ TYR A 84 2.287 -2.851 17.503 1.00 0.00 C
691
+ ATOM 690 N ASN A 85 4.096 -6.332 21.691 1.00 0.00 N
692
+ ATOM 691 CA ASN A 85 3.627 -5.598 22.862 1.00 0.00 C
693
+ ATOM 692 C ASN A 85 4.769 -5.299 23.830 1.00 0.00 C
694
+ ATOM 693 CB ASN A 85 2.518 -6.374 23.573 1.00 0.00 C
695
+ ATOM 694 O ASN A 85 4.670 -4.386 24.650 1.00 0.00 O
696
+ ATOM 695 CG ASN A 85 1.206 -6.347 22.811 1.00 0.00 C
697
+ ATOM 696 ND2 ASN A 85 0.406 -7.395 22.972 1.00 0.00 N
698
+ ATOM 697 OD1 ASN A 85 0.916 -5.394 22.086 1.00 0.00 O
699
+ ATOM 698 N GLU A 86 5.845 -5.994 23.703 1.00 0.00 N
700
+ ATOM 699 CA GLU A 86 7.026 -5.758 24.528 1.00 0.00 C
701
+ ATOM 700 C GLU A 86 7.834 -4.572 24.009 1.00 0.00 C
702
+ ATOM 701 CB GLU A 86 7.905 -7.011 24.580 1.00 0.00 C
703
+ ATOM 702 O GLU A 86 8.614 -3.973 24.753 1.00 0.00 O
704
+ ATOM 703 CG GLU A 86 7.303 -8.151 25.386 1.00 0.00 C
705
+ ATOM 704 CD GLU A 86 8.090 -9.447 25.272 1.00 0.00 C
706
+ ATOM 705 OE1 GLU A 86 9.023 -9.520 24.439 1.00 0.00 O
707
+ ATOM 706 OE2 GLU A 86 7.769 -10.399 26.019 1.00 0.00 O
708
+ ATOM 707 N LEU A 87 7.584 -4.254 22.759 1.00 0.00 N
709
+ ATOM 708 CA LEU A 87 8.354 -3.165 22.166 1.00 0.00 C
710
+ ATOM 709 C LEU A 87 7.818 -1.812 22.620 1.00 0.00 C
711
+ ATOM 710 CB LEU A 87 8.319 -3.254 20.638 1.00 0.00 C
712
+ ATOM 711 O LEU A 87 6.604 -1.617 22.708 1.00 0.00 O
713
+ ATOM 712 CG LEU A 87 8.964 -4.494 20.016 1.00 0.00 C
714
+ ATOM 713 CD1 LEU A 87 8.689 -4.538 18.517 1.00 0.00 C
715
+ ATOM 714 CD2 LEU A 87 10.463 -4.512 20.291 1.00 0.00 C
716
+ ATOM 715 N GLN A 88 8.615 -0.901 23.030 1.00 0.00 N
717
+ ATOM 716 CA GLN A 88 8.230 0.402 23.562 1.00 0.00 C
718
+ ATOM 717 C GLN A 88 7.659 1.296 22.465 1.00 0.00 C
719
+ ATOM 718 CB GLN A 88 9.426 1.085 24.227 1.00 0.00 C
720
+ ATOM 719 O GLN A 88 6.589 1.885 22.631 1.00 0.00 O
721
+ ATOM 720 CG GLN A 88 9.883 0.410 25.512 1.00 0.00 C
722
+ ATOM 721 CD GLN A 88 10.976 1.184 26.226 1.00 0.00 C
723
+ ATOM 722 NE2 GLN A 88 11.336 0.735 27.423 1.00 0.00 N
724
+ ATOM 723 OE1 GLN A 88 11.492 2.179 25.705 1.00 0.00 O
725
+ ATOM 724 N ASN A 89 8.161 1.342 21.374 1.00 0.00 N
726
+ ATOM 725 CA ASN A 89 7.792 2.282 20.321 1.00 0.00 C
727
+ ATOM 726 C ASN A 89 6.954 1.610 19.237 1.00 0.00 C
728
+ ATOM 727 CB ASN A 89 9.042 2.918 19.708 1.00 0.00 C
729
+ ATOM 728 O ASN A 89 6.544 2.258 18.272 1.00 0.00 O
730
+ ATOM 729 CG ASN A 89 9.783 3.810 20.684 1.00 0.00 C
731
+ ATOM 730 ND2 ASN A 89 11.104 3.854 20.564 1.00 0.00 N
732
+ ATOM 731 OD1 ASN A 89 9.172 4.454 21.542 1.00 0.00 O
733
+ ATOM 732 N LYS A 90 6.646 0.183 19.517 1.00 0.00 N
734
+ ATOM 733 CA LYS A 90 5.797 -0.622 18.643 1.00 0.00 C
735
+ ATOM 734 C LYS A 90 6.015 -0.260 17.178 1.00 0.00 C
736
+ ATOM 735 CB LYS A 90 4.323 -0.444 19.013 1.00 0.00 C
737
+ ATOM 736 O LYS A 90 5.100 0.224 16.510 1.00 0.00 O
738
+ ATOM 737 CG LYS A 90 3.983 -0.884 20.429 1.00 0.00 C
739
+ ATOM 738 CD LYS A 90 2.509 -0.663 20.744 1.00 0.00 C
740
+ ATOM 739 CE LYS A 90 2.188 -1.007 22.193 1.00 0.00 C
741
+ ATOM 740 NZ LYS A 90 0.788 -0.633 22.554 1.00 0.00 N
742
+ ATOM 741 N PRO A 91 7.252 -0.324 16.773 1.00 0.00 N
743
+ ATOM 742 CA PRO A 91 7.591 0.097 15.411 1.00 0.00 C
744
+ ATOM 743 C PRO A 91 6.825 -0.684 14.345 1.00 0.00 C
745
+ ATOM 744 CB PRO A 91 9.092 -0.184 15.319 1.00 0.00 C
746
+ ATOM 745 O PRO A 91 7.330 -1.681 13.822 1.00 0.00 O
747
+ ATOM 746 CG PRO A 91 9.324 -1.337 16.242 1.00 0.00 C
748
+ ATOM 747 CD PRO A 91 8.349 -1.240 17.380 1.00 0.00 C
749
+ ATOM 748 N LYS A 92 5.573 -0.243 13.998 1.00 0.00 N
750
+ ATOM 749 CA LYS A 92 4.702 -0.890 13.021 1.00 0.00 C
751
+ ATOM 750 C LYS A 92 5.405 -1.049 11.677 1.00 0.00 C
752
+ ATOM 751 CB LYS A 92 3.408 -0.094 12.846 1.00 0.00 C
753
+ ATOM 752 O LYS A 92 5.103 -1.972 10.917 1.00 0.00 O
754
+ ATOM 753 CG LYS A 92 2.467 -0.169 14.039 1.00 0.00 C
755
+ ATOM 754 CD LYS A 92 1.129 0.494 13.740 1.00 0.00 C
756
+ ATOM 755 CE LYS A 92 0.176 0.392 14.923 1.00 0.00 C
757
+ ATOM 756 NZ LYS A 92 -1.141 1.033 14.630 1.00 0.00 N
758
+ ATOM 757 N ALA A 93 6.380 -0.132 11.496 1.00 0.00 N
759
+ ATOM 758 CA ALA A 93 7.071 -0.153 10.209 1.00 0.00 C
760
+ ATOM 759 C ALA A 93 7.874 -1.439 10.038 1.00 0.00 C
761
+ ATOM 760 CB ALA A 93 7.985 1.063 10.078 1.00 0.00 C
762
+ ATOM 761 O ALA A 93 8.171 -1.848 8.913 1.00 0.00 O
763
+ ATOM 762 N ARG A 94 8.143 -2.133 11.128 1.00 0.00 N
764
+ ATOM 763 CA ARG A 94 8.911 -3.372 11.074 1.00 0.00 C
765
+ ATOM 764 C ARG A 94 8.012 -4.561 10.754 1.00 0.00 C
766
+ ATOM 765 CB ARG A 94 9.642 -3.610 12.398 1.00 0.00 C
767
+ ATOM 766 O ARG A 94 8.483 -5.588 10.260 1.00 0.00 O
768
+ ATOM 767 CG ARG A 94 10.800 -2.655 12.643 1.00 0.00 C
769
+ ATOM 768 CD ARG A 94 11.439 -2.882 14.006 1.00 0.00 C
770
+ ATOM 769 NE ARG A 94 12.077 -4.192 14.091 1.00 0.00 N
771
+ ATOM 770 NH1 ARG A 94 12.238 -4.194 16.395 1.00 0.00 N
772
+ ATOM 771 NH2 ARG A 94 13.016 -5.979 15.186 1.00 0.00 N
773
+ ATOM 772 CZ ARG A 94 12.442 -4.785 15.224 1.00 0.00 C
774
+ ATOM 773 N PHE A 95 6.794 -4.379 11.026 1.00 0.00 N
775
+ ATOM 774 CA PHE A 95 5.842 -5.475 10.893 1.00 0.00 C
776
+ ATOM 775 C PHE A 95 5.013 -5.321 9.623 1.00 0.00 C
777
+ ATOM 776 CB PHE A 95 4.922 -5.541 12.116 1.00 0.00 C
778
+ ATOM 777 O PHE A 95 4.170 -4.426 9.531 1.00 0.00 O
779
+ ATOM 778 CG PHE A 95 5.640 -5.862 13.400 1.00 0.00 C
780
+ ATOM 779 CD1 PHE A 95 5.659 -7.160 13.896 1.00 0.00 C
781
+ ATOM 780 CD2 PHE A 95 6.297 -4.866 14.110 1.00 0.00 C
782
+ ATOM 781 CE1 PHE A 95 6.323 -7.460 15.082 1.00 0.00 C
783
+ ATOM 782 CE2 PHE A 95 6.963 -5.158 15.296 1.00 0.00 C
784
+ ATOM 783 CZ PHE A 95 6.973 -6.456 15.781 1.00 0.00 C
785
+ ATOM 784 N TRP A 96 5.298 -6.119 8.647 1.00 0.00 N
786
+ ATOM 785 CA TRP A 96 4.608 -6.066 7.363 1.00 0.00 C
787
+ ATOM 786 C TRP A 96 3.625 -7.224 7.224 1.00 0.00 C
788
+ ATOM 787 CB TRP A 96 5.615 -6.094 6.209 1.00 0.00 C
789
+ ATOM 788 O TRP A 96 3.984 -8.381 7.453 1.00 0.00 O
790
+ ATOM 789 CG TRP A 96 6.495 -4.882 6.141 1.00 0.00 C
791
+ ATOM 790 CD1 TRP A 96 6.664 -3.931 7.108 1.00 0.00 C
792
+ ATOM 791 CD2 TRP A 96 7.327 -4.492 5.044 1.00 0.00 C
793
+ ATOM 792 CE2 TRP A 96 7.972 -3.292 5.415 1.00 0.00 C
794
+ ATOM 793 CE3 TRP A 96 7.590 -5.042 3.781 1.00 0.00 C
795
+ ATOM 794 NE1 TRP A 96 7.550 -2.971 6.677 1.00 0.00 N
796
+ ATOM 795 CH2 TRP A 96 9.104 -3.190 3.338 1.00 0.00 C
797
+ ATOM 796 CZ2 TRP A 96 8.865 -2.631 4.567 1.00 0.00 C
798
+ ATOM 797 CZ3 TRP A 96 8.479 -4.383 2.939 1.00 0.00 C
799
+ ATOM 798 N SER A 97 2.363 -6.901 6.855 1.00 0.00 N
800
+ ATOM 799 CA SER A 97 1.496 -7.989 6.415 1.00 0.00 C
801
+ ATOM 800 C SER A 97 1.954 -8.555 5.075 1.00 0.00 C
802
+ ATOM 801 CB SER A 97 0.047 -7.508 6.306 1.00 0.00 C
803
+ ATOM 802 O SER A 97 2.664 -7.886 4.323 1.00 0.00 O
804
+ ATOM 803 OG SER A 97 -0.110 -6.628 5.206 1.00 0.00 O
805
+ ATOM 804 N PHE A 98 1.561 -9.811 4.794 1.00 0.00 N
806
+ ATOM 805 CA PHE A 98 1.937 -10.407 3.518 1.00 0.00 C
807
+ ATOM 806 C PHE A 98 1.373 -9.597 2.355 1.00 0.00 C
808
+ ATOM 807 CB PHE A 98 1.445 -11.855 3.435 1.00 0.00 C
809
+ ATOM 808 O PHE A 98 1.987 -9.524 1.289 1.00 0.00 O
810
+ ATOM 809 CG PHE A 98 0.002 -11.985 3.027 1.00 0.00 C
811
+ ATOM 810 CD1 PHE A 98 -1.003 -12.045 3.985 1.00 0.00 C
812
+ ATOM 811 CD2 PHE A 98 -0.351 -12.044 1.685 1.00 0.00 C
813
+ ATOM 812 CE1 PHE A 98 -2.340 -12.164 3.611 1.00 0.00 C
814
+ ATOM 813 CE2 PHE A 98 -1.684 -12.163 1.304 1.00 0.00 C
815
+ ATOM 814 CZ PHE A 98 -2.677 -12.224 2.268 1.00 0.00 C
816
+ ATOM 815 N MET A 99 0.167 -8.943 2.561 1.00 0.00 N
817
+ ATOM 816 CA MET A 99 -0.437 -8.119 1.517 1.00 0.00 C
818
+ ATOM 817 C MET A 99 0.421 -6.892 1.229 1.00 0.00 C
819
+ ATOM 818 CB MET A 99 -1.848 -7.689 1.919 1.00 0.00 C
820
+ ATOM 819 O MET A 99 0.652 -6.549 0.068 1.00 0.00 O
821
+ ATOM 820 CG MET A 99 -2.861 -8.822 1.909 1.00 0.00 C
822
+ ATOM 821 SD MET A 99 -3.049 -9.581 0.248 1.00 0.00 S
823
+ ATOM 822 CE MET A 99 -3.753 -8.181 -0.666 1.00 0.00 C
824
+ ATOM 823 N LYS A 100 0.883 -6.264 2.334 1.00 0.00 N
825
+ ATOM 824 CA LYS A 100 1.783 -5.128 2.159 1.00 0.00 C
826
+ ATOM 825 C LYS A 100 3.074 -5.550 1.467 1.00 0.00 C
827
+ ATOM 826 CB LYS A 100 2.099 -4.481 3.508 1.00 0.00 C
828
+ ATOM 827 O LYS A 100 3.572 -4.846 0.585 1.00 0.00 O
829
+ ATOM 828 CG LYS A 100 3.037 -3.286 3.418 1.00 0.00 C
830
+ ATOM 829 CD LYS A 100 3.275 -2.656 4.785 1.00 0.00 C
831
+ ATOM 830 CE LYS A 100 4.276 -1.512 4.707 1.00 0.00 C
832
+ ATOM 831 NZ LYS A 100 4.499 -0.880 6.042 1.00 0.00 N
833
+ ATOM 832 N THR A 101 3.558 -6.619 1.835 1.00 0.00 N
834
+ ATOM 833 CA THR A 101 4.794 -7.139 1.260 1.00 0.00 C
835
+ ATOM 834 C THR A 101 4.606 -7.467 -0.218 1.00 0.00 C
836
+ ATOM 835 CB THR A 101 5.274 -8.395 2.010 1.00 0.00 C
837
+ ATOM 836 O THR A 101 5.477 -7.176 -1.040 1.00 0.00 O
838
+ ATOM 837 CG2 THR A 101 6.658 -8.825 1.532 1.00 0.00 C
839
+ ATOM 838 OG1 THR A 101 5.332 -8.113 3.414 1.00 0.00 O
840
+ ATOM 839 N GLN A 102 3.477 -8.041 -0.583 1.00 0.00 N
841
+ ATOM 840 CA GLN A 102 3.172 -8.343 -1.977 1.00 0.00 C
842
+ ATOM 841 C GLN A 102 3.147 -7.074 -2.823 1.00 0.00 C
843
+ ATOM 842 CB GLN A 102 1.834 -9.075 -2.088 1.00 0.00 C
844
+ ATOM 843 O GLN A 102 3.696 -7.045 -3.926 1.00 0.00 O
845
+ ATOM 844 CG GLN A 102 1.495 -9.525 -3.503 1.00 0.00 C
846
+ ATOM 845 CD GLN A 102 0.192 -10.300 -3.575 1.00 0.00 C
847
+ ATOM 846 NE2 GLN A 102 -0.710 -9.863 -4.449 1.00 0.00 N
848
+ ATOM 847 OE1 GLN A 102 -0.003 -11.282 -2.852 1.00 0.00 O
849
+ ATOM 848 N ARG A 103 2.541 -6.092 -2.286 1.00 0.00 N
850
+ ATOM 849 CA ARG A 103 2.496 -4.823 -3.005 1.00 0.00 C
851
+ ATOM 850 C ARG A 103 3.897 -4.247 -3.186 1.00 0.00 C
852
+ ATOM 851 CB ARG A 103 1.608 -3.818 -2.267 1.00 0.00 C
853
+ ATOM 852 O ARG A 103 4.230 -3.737 -4.257 1.00 0.00 O
854
+ ATOM 853 CG ARG A 103 0.121 -4.117 -2.374 1.00 0.00 C
855
+ ATOM 854 CD ARG A 103 -0.716 -3.089 -1.626 1.00 0.00 C
856
+ ATOM 855 NE ARG A 103 -2.117 -3.493 -1.541 1.00 0.00 N
857
+ ATOM 856 NH1 ARG A 103 -2.729 -1.805 -0.088 1.00 0.00 N
858
+ ATOM 857 NH2 ARG A 103 -4.286 -3.326 -0.808 1.00 0.00 N
859
+ ATOM 858 CZ ARG A 103 -3.041 -2.874 -0.812 1.00 0.00 C
860
+ ATOM 859 N PHE A 104 4.647 -4.369 -2.160 1.00 0.00 N
861
+ ATOM 860 CA PHE A 104 6.010 -3.853 -2.202 1.00 0.00 C
862
+ ATOM 861 C PHE A 104 6.822 -4.553 -3.284 1.00 0.00 C
863
+ ATOM 862 CB PHE A 104 6.692 -4.022 -0.840 1.00 0.00 C
864
+ ATOM 863 O PHE A 104 7.461 -3.897 -4.110 1.00 0.00 O
865
+ ATOM 864 CG PHE A 104 8.153 -3.657 -0.843 1.00 0.00 C
866
+ ATOM 865 CD1 PHE A 104 8.551 -2.327 -0.800 1.00 0.00 C
867
+ ATOM 866 CD2 PHE A 104 9.127 -4.645 -0.889 1.00 0.00 C
868
+ ATOM 867 CE1 PHE A 104 9.901 -1.986 -0.804 1.00 0.00 C
869
+ ATOM 868 CE2 PHE A 104 10.479 -4.313 -0.892 1.00 0.00 C
870
+ ATOM 869 CZ PHE A 104 10.863 -2.983 -0.850 1.00 0.00 C
871
+ ATOM 870 N VAL A 105 6.837 -5.859 -3.313 1.00 0.00 N
872
+ ATOM 871 CA VAL A 105 7.686 -6.586 -4.252 1.00 0.00 C
873
+ ATOM 872 C VAL A 105 7.152 -6.411 -5.673 1.00 0.00 C
874
+ ATOM 873 CB VAL A 105 7.771 -8.087 -3.895 1.00 0.00 C
875
+ ATOM 874 O VAL A 105 7.924 -6.394 -6.634 1.00 0.00 O
876
+ ATOM 875 CG1 VAL A 105 8.418 -8.281 -2.525 1.00 0.00 C
877
+ ATOM 876 CG2 VAL A 105 6.382 -8.722 -3.930 1.00 0.00 C
878
+ ATOM 877 N SER A 106 5.834 -6.279 -5.817 1.00 0.00 N
879
+ ATOM 878 CA SER A 106 5.265 -6.005 -7.132 1.00 0.00 C
880
+ ATOM 879 C SER A 106 5.737 -4.658 -7.670 1.00 0.00 C
881
+ ATOM 880 CB SER A 106 3.737 -6.032 -7.072 1.00 0.00 C
882
+ ATOM 881 O SER A 106 6.070 -4.538 -8.851 1.00 0.00 O
883
+ ATOM 882 OG SER A 106 3.267 -7.343 -6.816 1.00 0.00 O
884
+ ATOM 883 N ASN A 107 5.808 -3.735 -6.798 1.00 0.00 N
885
+ ATOM 884 CA ASN A 107 6.302 -2.419 -7.189 1.00 0.00 C
886
+ ATOM 885 C ASN A 107 7.778 -2.466 -7.574 1.00 0.00 C
887
+ ATOM 886 CB ASN A 107 6.078 -1.406 -6.065 1.00 0.00 C
888
+ ATOM 887 O ASN A 107 8.252 -1.622 -8.336 1.00 0.00 O
889
+ ATOM 888 CG ASN A 107 4.624 -1.002 -5.924 1.00 0.00 C
890
+ ATOM 889 ND2 ASN A 107 4.254 -0.523 -4.742 1.00 0.00 N
891
+ ATOM 890 OD1 ASN A 107 3.839 -1.120 -6.869 1.00 0.00 O
892
+ ATOM 891 N MET A 108 8.452 -3.436 -7.047 1.00 0.00 N
893
+ ATOM 892 CA MET A 108 9.866 -3.617 -7.363 1.00 0.00 C
894
+ ATOM 893 C MET A 108 10.038 -4.420 -8.648 1.00 0.00 C
895
+ ATOM 894 CB MET A 108 10.591 -4.312 -6.209 1.00 0.00 C
896
+ ATOM 895 O MET A 108 11.164 -4.667 -9.083 1.00 0.00 O
897
+ ATOM 896 CG MET A 108 10.697 -3.465 -4.951 1.00 0.00 C
898
+ ATOM 897 SD MET A 108 11.820 -2.029 -5.165 1.00 0.00 S
899
+ ATOM 898 CE MET A 108 13.420 -2.882 -5.233 1.00 0.00 C
900
+ ATOM 899 N GLY A 109 8.917 -4.928 -9.199 1.00 0.00 N
901
+ ATOM 900 CA GLY A 109 8.960 -5.621 -10.476 1.00 0.00 C
902
+ ATOM 901 C GLY A 109 8.896 -7.130 -10.338 1.00 0.00 C
903
+ ATOM 902 O GLY A 109 9.173 -7.859 -11.293 1.00 0.00 O
904
+ ATOM 903 N PHE A 110 8.625 -7.540 -9.116 1.00 0.00 N
905
+ ATOM 904 CA PHE A 110 8.500 -8.976 -8.897 1.00 0.00 C
906
+ ATOM 905 C PHE A 110 7.036 -9.379 -8.767 1.00 0.00 C
907
+ ATOM 906 CB PHE A 110 9.274 -9.399 -7.645 1.00 0.00 C
908
+ ATOM 907 O PHE A 110 6.331 -8.899 -7.876 1.00 0.00 O
909
+ ATOM 908 CG PHE A 110 10.741 -9.064 -7.696 1.00 0.00 C
910
+ ATOM 909 CD1 PHE A 110 11.628 -9.871 -8.396 1.00 0.00 C
911
+ ATOM 910 CD2 PHE A 110 11.230 -7.941 -7.042 1.00 0.00 C
912
+ ATOM 911 CE1 PHE A 110 12.987 -9.562 -8.445 1.00 0.00 C
913
+ ATOM 912 CE2 PHE A 110 12.586 -7.626 -7.086 1.00 0.00 C
914
+ ATOM 913 CZ PHE A 110 13.462 -8.439 -7.787 1.00 0.00 C
915
+ ATOM 914 N ASP A 111 6.513 -10.181 -9.755 1.00 0.00 N
916
+ ATOM 915 CA ASP A 111 5.113 -10.593 -9.744 1.00 0.00 C
917
+ ATOM 916 C ASP A 111 4.909 -11.822 -8.860 1.00 0.00 C
918
+ ATOM 917 CB ASP A 111 4.627 -10.880 -11.165 1.00 0.00 C
919
+ ATOM 918 O ASP A 111 5.727 -12.745 -8.872 1.00 0.00 O
920
+ ATOM 919 CG ASP A 111 4.506 -9.627 -12.015 1.00 0.00 C
921
+ ATOM 920 OD1 ASP A 111 4.247 -8.537 -11.461 1.00 0.00 O
922
+ ATOM 921 OD2 ASP A 111 4.669 -9.732 -13.250 1.00 0.00 O
923
+ ATOM 922 N ILE A 112 3.861 -11.810 -8.056 1.00 0.00 N
924
+ ATOM 923 CA ILE A 112 3.482 -12.954 -7.234 1.00 0.00 C
925
+ ATOM 924 C ILE A 112 2.075 -13.415 -7.607 1.00 0.00 C
926
+ ATOM 925 CB ILE A 112 3.554 -12.617 -5.728 1.00 0.00 C
927
+ ATOM 926 O ILE A 112 1.204 -12.593 -7.906 1.00 0.00 O
928
+ ATOM 927 CG1 ILE A 112 4.949 -12.095 -5.364 1.00 0.00 C
929
+ ATOM 928 CG2 ILE A 112 3.187 -13.840 -4.883 1.00 0.00 C
930
+ ATOM 929 CD1 ILE A 112 5.030 -11.458 -3.983 1.00 0.00 C
931
+ ATOM 930 OXT ILE A 112 2.469 -14.543 -7.441 1.00 0.00 O
932
+ TER 931 ILE A 112
933
+ END
6qsz/6qsz_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qsz/6qsz_rdkit_ligand.pdb ADDED
@@ -0,0 +1,191 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qsz_ligand
2
+ HETATM 1 N1 UNL 1 10.862 -1.863 0.968 1.00 0.00 N1+
3
+ HETATM 2 C1 UNL 1 11.763 -0.849 0.472 1.00 0.00 C
4
+ HETATM 3 C2 UNL 1 11.102 -0.057 -0.631 1.00 0.00 C
5
+ HETATM 4 O1 UNL 1 11.719 0.877 -1.149 1.00 0.00 O
6
+ HETATM 5 C3 UNL 1 12.980 -1.489 -0.178 1.00 0.00 C
7
+ HETATM 6 O2 UNL 1 12.530 -2.289 -1.245 1.00 0.00 O
8
+ HETATM 7 C4 UNL 1 13.707 -2.320 0.852 1.00 0.00 C
9
+ HETATM 8 N2 UNL 1 9.799 -0.443 -1.006 1.00 0.00 N
10
+ HETATM 9 C5 UNL 1 9.097 0.262 -2.087 1.00 0.00 C
11
+ HETATM 10 C6 UNL 1 7.864 0.817 -1.471 1.00 0.00 C
12
+ HETATM 11 O3 UNL 1 7.025 1.388 -2.253 1.00 0.00 O
13
+ HETATM 12 C7 UNL 1 8.776 -0.792 -3.130 1.00 0.00 C
14
+ HETATM 13 C8 UNL 1 10.057 -1.359 -3.601 1.00 0.00 C
15
+ HETATM 14 O4 UNL 1 10.225 -2.683 -3.954 1.00 0.00 O
16
+ HETATM 15 O5 UNL 1 11.094 -0.608 -3.696 1.00 0.00 O
17
+ HETATM 16 N3 UNL 1 7.580 0.756 -0.101 1.00 0.00 N
18
+ HETATM 17 C9 UNL 1 6.375 1.289 0.529 1.00 0.00 C
19
+ HETATM 18 C10 UNL 1 5.186 0.564 0.046 1.00 0.00 C
20
+ HETATM 19 O6 UNL 1 5.302 -0.133 -1.014 1.00 0.00 O
21
+ HETATM 20 C11 UNL 1 6.203 2.750 0.239 1.00 0.00 C
22
+ HETATM 21 C12 UNL 1 7.259 3.668 0.697 1.00 0.00 C
23
+ HETATM 22 C13 UNL 1 7.506 3.686 2.192 1.00 0.00 C
24
+ HETATM 23 C14 UNL 1 8.600 3.508 0.032 1.00 0.00 C
25
+ HETATM 24 N4 UNL 1 3.954 0.605 0.698 1.00 0.00 N
26
+ HETATM 25 C15 UNL 1 2.709 -0.044 0.313 1.00 0.00 C
27
+ HETATM 26 C16 UNL 1 1.654 0.849 -0.148 1.00 0.00 C
28
+ HETATM 27 O7 UNL 1 1.771 2.065 -0.189 1.00 0.00 O
29
+ HETATM 28 C17 UNL 1 2.337 -0.708 1.637 1.00 0.00 C
30
+ HETATM 29 C18 UNL 1 2.620 0.384 2.639 1.00 0.00 C
31
+ HETATM 30 C19 UNL 1 3.683 1.267 1.986 1.00 0.00 C
32
+ HETATM 31 N5 UNL 1 0.389 0.277 -0.576 1.00 0.00 N
33
+ HETATM 32 C20 UNL 1 -0.745 1.065 -1.014 1.00 0.00 C
34
+ HETATM 33 C21 UNL 1 -1.177 0.834 -2.416 1.00 0.00 C
35
+ HETATM 34 O8 UNL 1 -1.558 -0.482 -2.698 1.00 0.00 O
36
+ HETATM 35 C22 UNL 1 -1.854 0.728 -0.082 1.00 0.00 C
37
+ HETATM 36 O9 UNL 1 -1.665 -0.051 0.901 1.00 0.00 O
38
+ HETATM 37 P1 UNL 1 -1.982 -0.654 -4.329 1.00 0.00 P
39
+ HETATM 38 O10 UNL 1 -3.417 -0.204 -4.534 1.00 0.00 O
40
+ HETATM 39 O11 UNL 1 -0.951 0.196 -5.361 1.00 0.00 O
41
+ HETATM 40 O12 UNL 1 -1.886 -2.298 -4.719 1.00 0.00 O
42
+ HETATM 41 N6 UNL 1 -3.167 1.253 -0.258 1.00 0.00 N
43
+ HETATM 42 C23 UNL 1 -4.172 0.885 0.690 1.00 0.00 C
44
+ HETATM 43 C24 UNL 1 -5.344 0.154 0.220 1.00 0.00 C
45
+ HETATM 44 O13 UNL 1 -5.601 0.058 -0.992 1.00 0.00 O
46
+ HETATM 45 C25 UNL 1 -4.651 2.133 1.466 1.00 0.00 C
47
+ HETATM 46 C26 UNL 1 -3.497 2.744 2.184 1.00 0.00 C
48
+ HETATM 47 O14 UNL 1 -3.662 3.237 3.503 1.00 0.00 O
49
+ HETATM 48 O15 UNL 1 -2.368 2.840 1.678 1.00 0.00 O
50
+ HETATM 49 N7 UNL 1 -6.209 -0.462 1.147 1.00 0.00 N
51
+ HETATM 50 C27 UNL 1 -7.467 -1.138 0.830 1.00 0.00 C
52
+ HETATM 51 C28 UNL 1 -8.620 -0.418 1.429 1.00 0.00 C
53
+ HETATM 52 O16 UNL 1 -8.315 0.712 1.939 1.00 0.00 O
54
+ HETATM 53 C29 UNL 1 -7.192 -2.478 1.472 1.00 0.00 C
55
+ HETATM 54 C30 UNL 1 -6.587 -2.059 2.800 1.00 0.00 C
56
+ HETATM 55 C31 UNL 1 -6.068 -0.645 2.562 1.00 0.00 C
57
+ HETATM 56 N8 UNL 1 -9.945 -0.818 1.494 1.00 0.00 N
58
+ HETATM 57 C32 UNL 1 -10.734 -1.943 1.079 1.00 0.00 C
59
+ HETATM 58 C33 UNL 1 -11.771 -1.597 0.107 1.00 0.00 C
60
+ HETATM 59 O17 UNL 1 -12.981 -1.821 0.389 1.00 0.00 O
61
+ HETATM 60 C34 UNL 1 -11.380 -2.371 2.372 1.00 0.00 C
62
+ HETATM 61 C35 UNL 1 -11.634 -1.034 3.041 1.00 0.00 C
63
+ HETATM 62 C36 UNL 1 -10.986 0.025 2.156 1.00 0.00 C
64
+ HETATM 63 N9 UNL 1 -11.522 -1.014 -1.171 1.00 0.00 N
65
+ HETATM 64 C37 UNL 1 -12.601 -0.684 -2.071 1.00 0.00 C
66
+ HETATM 65 C38 UNL 1 -12.986 -1.913 -2.849 1.00 0.00 C
67
+ HETATM 66 O18 UNL 1 -12.440 -3.032 -2.684 1.00 0.00 O
68
+ HETATM 67 C39 UNL 1 -12.322 0.426 -3.022 1.00 0.00 C
69
+ HETATM 68 O19 UNL 1 -12.008 1.606 -2.332 1.00 0.00 O
70
+ HETATM 69 O20 UNL 1 -13.995 -1.835 -3.813 1.00 0.00 O
71
+ HETATM 70 H1 UNL 1 10.622 -2.544 0.207 1.00 0.00 H
72
+ HETATM 71 H2 UNL 1 9.988 -1.498 1.366 1.00 0.00 H
73
+ HETATM 72 H3 UNL 1 11.362 -2.435 1.698 1.00 0.00 H
74
+ HETATM 73 H4 UNL 1 12.031 -0.183 1.290 1.00 0.00 H
75
+ HETATM 74 H5 UNL 1 13.655 -0.742 -0.578 1.00 0.00 H
76
+ HETATM 75 H6 UNL 1 12.231 -3.176 -0.905 1.00 0.00 H
77
+ HETATM 76 H7 UNL 1 13.392 -3.396 0.751 1.00 0.00 H
78
+ HETATM 77 H8 UNL 1 14.797 -2.263 0.780 1.00 0.00 H
79
+ HETATM 78 H9 UNL 1 13.419 -1.950 1.870 1.00 0.00 H
80
+ HETATM 79 H10 UNL 1 9.307 -1.227 -0.522 1.00 0.00 H
81
+ HETATM 80 H11 UNL 1 9.759 1.023 -2.486 1.00 0.00 H
82
+ HETATM 81 H12 UNL 1 8.297 -0.238 -3.974 1.00 0.00 H
83
+ HETATM 82 H13 UNL 1 8.130 -1.584 -2.781 1.00 0.00 H
84
+ HETATM 83 H14 UNL 1 11.089 -3.207 -3.795 1.00 0.00 H
85
+ HETATM 84 H15 UNL 1 8.303 0.272 0.514 1.00 0.00 H
86
+ HETATM 85 H16 UNL 1 6.491 1.191 1.618 1.00 0.00 H
87
+ HETATM 86 H17 UNL 1 5.239 3.072 0.737 1.00 0.00 H
88
+ HETATM 87 H18 UNL 1 6.004 2.938 -0.848 1.00 0.00 H
89
+ HETATM 88 H19 UNL 1 6.972 4.759 0.469 1.00 0.00 H
90
+ HETATM 89 H20 UNL 1 6.729 4.325 2.651 1.00 0.00 H
91
+ HETATM 90 H21 UNL 1 8.475 4.174 2.435 1.00 0.00 H
92
+ HETATM 91 H22 UNL 1 7.439 2.684 2.653 1.00 0.00 H
93
+ HETATM 92 H23 UNL 1 9.093 2.572 0.371 1.00 0.00 H
94
+ HETATM 93 H24 UNL 1 8.461 3.524 -1.055 1.00 0.00 H
95
+ HETATM 94 H25 UNL 1 9.200 4.399 0.373 1.00 0.00 H
96
+ HETATM 95 H26 UNL 1 2.931 -0.805 -0.439 1.00 0.00 H
97
+ HETATM 96 H27 UNL 1 1.353 -1.145 1.669 1.00 0.00 H
98
+ HETATM 97 H28 UNL 1 3.091 -1.498 1.792 1.00 0.00 H
99
+ HETATM 98 H29 UNL 1 1.747 0.956 2.952 1.00 0.00 H
100
+ HETATM 99 H30 UNL 1 3.095 -0.063 3.542 1.00 0.00 H
101
+ HETATM 100 H31 UNL 1 3.330 2.295 1.861 1.00 0.00 H
102
+ HETATM 101 H32 UNL 1 4.625 1.277 2.560 1.00 0.00 H
103
+ HETATM 102 H33 UNL 1 0.343 -0.755 -0.559 1.00 0.00 H
104
+ HETATM 103 H34 UNL 1 -0.495 2.148 -0.916 1.00 0.00 H
105
+ HETATM 104 H35 UNL 1 -2.052 1.520 -2.617 1.00 0.00 H
106
+ HETATM 105 H36 UNL 1 -0.396 1.178 -3.118 1.00 0.00 H
107
+ HETATM 106 H37 UNL 1 -0.015 0.173 -4.998 1.00 0.00 H
108
+ HETATM 107 H38 UNL 1 -1.801 -2.888 -3.928 1.00 0.00 H
109
+ HETATM 108 H39 UNL 1 -3.429 1.888 -1.046 1.00 0.00 H
110
+ HETATM 109 H40 UNL 1 -3.681 0.257 1.498 1.00 0.00 H
111
+ HETATM 110 H41 UNL 1 -5.084 2.886 0.773 1.00 0.00 H
112
+ HETATM 111 H42 UNL 1 -5.355 1.785 2.223 1.00 0.00 H
113
+ HETATM 112 H43 UNL 1 -2.794 3.376 4.056 1.00 0.00 H
114
+ HETATM 113 H44 UNL 1 -7.639 -1.231 -0.247 1.00 0.00 H
115
+ HETATM 114 H45 UNL 1 -6.414 -2.968 0.835 1.00 0.00 H
116
+ HETATM 115 H46 UNL 1 -8.020 -3.160 1.550 1.00 0.00 H
117
+ HETATM 116 H47 UNL 1 -5.754 -2.772 2.984 1.00 0.00 H
118
+ HETATM 117 H48 UNL 1 -7.329 -2.136 3.584 1.00 0.00 H
119
+ HETATM 118 H49 UNL 1 -4.977 -0.665 2.865 1.00 0.00 H
120
+ HETATM 119 H50 UNL 1 -6.539 0.079 3.213 1.00 0.00 H
121
+ HETATM 120 H51 UNL 1 -10.123 -2.746 0.613 1.00 0.00 H
122
+ HETATM 121 H52 UNL 1 -12.327 -2.918 2.232 1.00 0.00 H
123
+ HETATM 122 H53 UNL 1 -10.689 -2.914 3.057 1.00 0.00 H
124
+ HETATM 123 H54 UNL 1 -12.715 -0.801 3.069 1.00 0.00 H
125
+ HETATM 124 H55 UNL 1 -11.140 -0.960 4.033 1.00 0.00 H
126
+ HETATM 125 H56 UNL 1 -11.661 0.427 1.408 1.00 0.00 H
127
+ HETATM 126 H57 UNL 1 -10.540 0.853 2.717 1.00 0.00 H
128
+ HETATM 127 H58 UNL 1 -10.528 -0.842 -1.439 1.00 0.00 H
129
+ HETATM 128 H59 UNL 1 -13.499 -0.491 -1.437 1.00 0.00 H
130
+ HETATM 129 H60 UNL 1 -11.567 0.158 -3.790 1.00 0.00 H
131
+ HETATM 130 H61 UNL 1 -13.278 0.682 -3.579 1.00 0.00 H
132
+ HETATM 131 H62 UNL 1 -12.802 1.865 -1.763 1.00 0.00 H
133
+ HETATM 132 H63 UNL 1 -14.620 -2.639 -4.035 1.00 0.00 H
134
+ CONECT 1 2 70 71 72
135
+ CONECT 2 3 5 73
136
+ CONECT 3 4 4 8
137
+ CONECT 5 6 7 74
138
+ CONECT 6 75
139
+ CONECT 7 76 77 78
140
+ CONECT 8 9 79
141
+ CONECT 9 10 12 80
142
+ CONECT 10 11 11 16
143
+ CONECT 12 13 81 82
144
+ CONECT 13 14 15 15
145
+ CONECT 14 83
146
+ CONECT 16 17 84
147
+ CONECT 17 18 20 85
148
+ CONECT 18 19 19 24
149
+ CONECT 20 21 86 87
150
+ CONECT 21 22 23 88
151
+ CONECT 22 89 90 91
152
+ CONECT 23 92 93 94
153
+ CONECT 24 25 30
154
+ CONECT 25 26 28 95
155
+ CONECT 26 27 27 31
156
+ CONECT 28 29 96 97
157
+ CONECT 29 30 98 99
158
+ CONECT 30 100 101
159
+ CONECT 31 32 102
160
+ CONECT 32 33 35 103
161
+ CONECT 33 34 104 105
162
+ CONECT 34 37
163
+ CONECT 35 36 36 41
164
+ CONECT 37 38 38 39 40
165
+ CONECT 39 106
166
+ CONECT 40 107
167
+ CONECT 41 42 108
168
+ CONECT 42 43 45 109
169
+ CONECT 43 44 44 49
170
+ CONECT 45 46 110 111
171
+ CONECT 46 47 48 48
172
+ CONECT 47 112
173
+ CONECT 49 50 55
174
+ CONECT 50 51 53 113
175
+ CONECT 51 52 52 56
176
+ CONECT 53 54 114 115
177
+ CONECT 54 55 116 117
178
+ CONECT 55 118 119
179
+ CONECT 56 57 62
180
+ CONECT 57 58 60 120
181
+ CONECT 58 59 59 63
182
+ CONECT 60 61 121 122
183
+ CONECT 61 62 123 124
184
+ CONECT 62 125 126
185
+ CONECT 63 64 127
186
+ CONECT 64 65 67 128
187
+ CONECT 65 66 66 69
188
+ CONECT 67 68 129 130
189
+ CONECT 68 131
190
+ CONECT 69 132
191
+ END
6qtm/6qtm_ligand.mol2 ADDED
@@ -0,0 +1,291 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:17:07 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qtm_ligand
7
+ 137 138 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 5.7800 43.6100 14.6840 N.4 1 SER 0.2396
14
+ 2 CA 6.5160 44.1530 15.8260 C.3 1 SER 0.0885
15
+ 3 C 7.8280 43.3760 16.1080 C.2 1 SER 0.2290
16
+ 4 O 8.6420 43.8130 16.9400 O.2 1 SER -0.3906
17
+ 5 CB 5.6260 44.2150 17.0680 C.3 1 SER 0.1041
18
+ 6 OG 6.1600 45.0840 18.0550 O.3 1 SER -0.3870
19
+ 7 N 8.0330 42.2350 15.4040 N.am 1 SER -0.2609
20
+ 8 CA 9.2410 41.4140 15.5220 C.3 1 SER 0.1313
21
+ 9 C 10.1590 41.6640 14.3180 C.2 1 SER 0.2040
22
+ 10 O 9.6880 41.9700 13.2230 O.2 1 SER -0.3944
23
+ 11 CB 8.8990 39.9150 15.7100 C.3 1 SER -0.0101
24
+ 12 CG 10.0280 38.9060 15.9880 C.3 1 SER -0.0425
25
+ 13 CD1 10.8880 39.3080 17.1620 C.3 1 SER -0.0625
26
+ 14 CD2 9.4670 37.5490 16.2690 C.3 1 SER -0.0625
27
+ 15 N 11.4700 41.6080 14.5490 N.am 1 SER -0.2622
28
+ 16 CA 12.4790 41.8730 13.5290 C.3 1 SER 0.1423
29
+ 17 C 12.6150 40.6820 12.5940 C.2 1 SER 0.2057
30
+ 18 O 12.5800 39.5420 13.0500 O.2 1 SER -0.3943
31
+ 19 CB 13.8210 42.1900 14.2170 C.3 1 SER 0.0406
32
+ 20 CG 14.9640 42.6760 13.3520 C.2 1 SER 0.0393
33
+ 21 OD1 14.7180 43.0170 12.1600 O.co2 1 SER -0.5688
34
+ 22 OD2 16.1130 42.7310 13.8670 O.co2 1 SER -0.5688
35
+ 23 N 12.7790 40.9530 11.2830 N.am 1 SER -0.2615
36
+ 24 CA 12.9760 39.9380 10.2340 C.3 1 SER 0.1539
37
+ 25 C 14.4160 39.4380 10.2540 C.2 1 SER 0.2063
38
+ 26 O 14.7150 38.3550 9.7460 O.2 1 SER -0.3943
39
+ 27 CB 12.6900 40.5360 8.8600 C.3 1 SER 0.0843
40
+ 28 OG 11.3300 40.9060 8.7320 O.3 1 SER -0.3903
41
+ 29 N 15.3100 40.2710 10.8000 N.am 1 SER -0.2612
42
+ 30 CA 16.7380 40.0120 10.9150 C.3 1 SER 0.1588
43
+ 31 CB 17.3650 41.3760 10.6070 C.3 1 SER 0.1184
44
+ 32 OG 18.1990 41.3210 9.4600 O.3 1 SER -0.2714
45
+ 33 C 17.1140 39.5670 12.3450 C.2 1 SER 0.2090
46
+ 34 O 16.4850 40.0060 13.3140 O.2 1 SER -0.3941
47
+ 35 P 18.0130 42.6710 8.7000 P.3 1 SER 0.2010
48
+ 36 O1P 18.7230 42.3460 7.4190 O.co2 1 SER -0.5537
49
+ 37 O2P 16.5580 43.1470 8.3290 O.co2 1 SER -0.5537
50
+ 38 O3P 18.7490 43.8010 9.4690 O.co2 1 SER -0.5537
51
+ 39 N 18.1480 38.7220 12.5120 N.am 1 SER -0.2498
52
+ 40 CA 18.5230 38.3110 13.8710 C.3 1 SER 0.1340
53
+ 41 C 19.3270 39.4020 14.5910 C.2 1 SER 0.2066
54
+ 42 O 19.8620 40.2790 13.9150 O.2 1 SER -0.3942
55
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+ M END
289
+ $$$$
6qtm/6qtm_protein_alphafold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,934 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-08-19
2
+ ATOM 1 N LEU A 1 18.561 40.344 22.677 1.00 0.00 N
3
+ ATOM 2 CA LEU A 1 18.066 38.972 22.718 1.00 0.00 C
4
+ ATOM 3 C LEU A 1 19.066 38.013 22.081 1.00 0.00 C
5
+ ATOM 4 CB LEU A 1 16.716 38.868 22.002 1.00 0.00 C
6
+ ATOM 5 O LEU A 1 19.748 38.371 21.118 1.00 0.00 O
7
+ ATOM 6 CG LEU A 1 15.475 39.140 22.854 1.00 0.00 C
8
+ ATOM 7 CD1 LEU A 1 14.382 39.784 22.008 1.00 0.00 C
9
+ ATOM 8 CD2 LEU A 1 14.972 37.850 23.494 1.00 0.00 C
10
+ ATOM 9 N SER A 2 19.328 36.865 22.757 1.00 0.00 N
11
+ ATOM 10 CA SER A 2 20.212 35.880 22.142 1.00 0.00 C
12
+ ATOM 11 C SER A 2 19.642 35.375 20.820 1.00 0.00 C
13
+ ATOM 12 CB SER A 2 20.444 34.702 23.089 1.00 0.00 C
14
+ ATOM 13 O SER A 2 18.442 35.504 20.566 1.00 0.00 O
15
+ ATOM 14 OG SER A 2 19.316 33.844 23.111 1.00 0.00 O
16
+ ATOM 15 N LYS A 3 20.499 34.981 19.871 1.00 0.00 N
17
+ ATOM 16 CA LYS A 3 20.080 34.398 18.600 1.00 0.00 C
18
+ ATOM 17 C LYS A 3 19.056 33.286 18.815 1.00 0.00 C
19
+ ATOM 18 CB LYS A 3 21.287 33.856 17.833 1.00 0.00 C
20
+ ATOM 19 O LYS A 3 18.103 33.155 18.046 1.00 0.00 O
21
+ ATOM 20 CG LYS A 3 21.010 33.568 16.366 1.00 0.00 C
22
+ ATOM 21 CD LYS A 3 22.283 33.191 15.619 1.00 0.00 C
23
+ ATOM 22 CE LYS A 3 22.001 32.868 14.158 1.00 0.00 C
24
+ ATOM 23 NZ LYS A 3 23.244 32.477 13.428 1.00 0.00 N
25
+ ATOM 24 N SER A 4 19.274 32.605 19.873 1.00 0.00 N
26
+ ATOM 25 CA SER A 4 18.382 31.493 20.188 1.00 0.00 C
27
+ ATOM 26 C SER A 4 17.002 31.992 20.604 1.00 0.00 C
28
+ ATOM 27 CB SER A 4 18.976 30.628 21.301 1.00 0.00 C
29
+ ATOM 28 O SER A 4 15.984 31.443 20.177 1.00 0.00 O
30
+ ATOM 29 OG SER A 4 19.225 31.403 22.462 1.00 0.00 O
31
+ ATOM 30 N SER A 5 16.900 32.969 21.395 1.00 0.00 N
32
+ ATOM 31 CA SER A 5 15.628 33.539 21.823 1.00 0.00 C
33
+ ATOM 32 C SER A 5 14.858 34.124 20.643 1.00 0.00 C
34
+ ATOM 33 CB SER A 5 15.854 34.621 22.881 1.00 0.00 C
35
+ ATOM 34 O SER A 5 13.644 33.940 20.536 1.00 0.00 O
36
+ ATOM 35 OG SER A 5 16.442 34.070 24.047 1.00 0.00 O
37
+ ATOM 36 N TRP A 6 15.569 34.745 19.807 1.00 0.00 N
38
+ ATOM 37 CA TRP A 6 14.978 35.326 18.607 1.00 0.00 C
39
+ ATOM 38 C TRP A 6 14.355 34.246 17.729 1.00 0.00 C
40
+ ATOM 39 CB TRP A 6 16.030 36.103 17.811 1.00 0.00 C
41
+ ATOM 40 O TRP A 6 13.220 34.389 17.269 1.00 0.00 O
42
+ ATOM 41 CG TRP A 6 15.516 36.691 16.531 1.00 0.00 C
43
+ ATOM 42 CD1 TRP A 6 14.832 37.866 16.380 1.00 0.00 C
44
+ ATOM 43 CD2 TRP A 6 15.639 36.128 15.223 1.00 0.00 C
45
+ ATOM 44 CE2 TRP A 6 15.007 37.015 14.323 1.00 0.00 C
46
+ ATOM 45 CE3 TRP A 6 16.225 34.956 14.721 1.00 0.00 C
47
+ ATOM 46 NE1 TRP A 6 14.524 38.067 15.054 1.00 0.00 N
48
+ ATOM 47 CH2 TRP A 6 15.525 35.615 12.486 1.00 0.00 C
49
+ ATOM 48 CZ2 TRP A 6 14.946 36.768 12.950 1.00 0.00 C
50
+ ATOM 49 CZ3 TRP A 6 16.161 34.712 13.354 1.00 0.00 C
51
+ ATOM 50 N ARG A 7 14.992 33.156 17.487 1.00 0.00 N
52
+ ATOM 51 CA ARG A 7 14.488 32.050 16.680 1.00 0.00 C
53
+ ATOM 52 C ARG A 7 13.233 31.446 17.303 1.00 0.00 C
54
+ ATOM 53 CB ARG A 7 15.561 30.972 16.513 1.00 0.00 C
55
+ ATOM 54 O ARG A 7 12.266 31.147 16.598 1.00 0.00 O
56
+ ATOM 55 CG ARG A 7 16.669 31.351 15.543 1.00 0.00 C
57
+ ATOM 56 CD ARG A 7 17.726 30.261 15.441 1.00 0.00 C
58
+ ATOM 57 NE ARG A 7 18.819 30.651 14.553 1.00 0.00 N
59
+ ATOM 58 NH1 ARG A 7 20.147 28.827 15.050 1.00 0.00 N
60
+ ATOM 59 NH2 ARG A 7 20.872 30.408 13.556 1.00 0.00 N
61
+ ATOM 60 CZ ARG A 7 19.943 29.961 14.389 1.00 0.00 C
62
+ ATOM 61 N GLN A 8 13.224 31.317 18.603 1.00 0.00 N
63
+ ATOM 62 CA GLN A 8 12.087 30.726 19.300 1.00 0.00 C
64
+ ATOM 63 C GLN A 8 10.849 31.612 19.186 1.00 0.00 C
65
+ ATOM 64 CB GLN A 8 12.426 30.484 20.772 1.00 0.00 C
66
+ ATOM 65 O GLN A 8 9.736 31.113 19.008 1.00 0.00 O
67
+ ATOM 66 CG GLN A 8 13.375 29.315 21.001 1.00 0.00 C
68
+ ATOM 67 CD GLN A 8 13.409 28.862 22.448 1.00 0.00 C
69
+ ATOM 68 NE2 GLN A 8 13.935 27.664 22.682 1.00 0.00 N
70
+ ATOM 69 OE1 GLN A 8 12.967 29.583 23.348 1.00 0.00 O
71
+ ATOM 70 N GLU A 9 11.020 32.831 19.299 1.00 0.00 N
72
+ ATOM 71 CA GLU A 9 9.916 33.773 19.147 1.00 0.00 C
73
+ ATOM 72 C GLU A 9 9.309 33.691 17.749 1.00 0.00 C
74
+ ATOM 73 CB GLU A 9 10.384 35.201 19.435 1.00 0.00 C
75
+ ATOM 74 O GLU A 9 8.087 33.630 17.600 1.00 0.00 O
76
+ ATOM 75 CG GLU A 9 9.256 36.223 19.468 1.00 0.00 C
77
+ ATOM 76 CD GLU A 9 9.736 37.639 19.746 1.00 0.00 C
78
+ ATOM 77 OE1 GLU A 9 8.926 38.587 19.638 1.00 0.00 O
79
+ ATOM 78 OE2 GLU A 9 10.934 37.801 20.071 1.00 0.00 O
80
+ ATOM 79 N TRP A 10 10.168 33.648 16.803 1.00 0.00 N
81
+ ATOM 80 CA TRP A 10 9.690 33.565 15.426 1.00 0.00 C
82
+ ATOM 81 C TRP A 10 8.985 32.237 15.174 1.00 0.00 C
83
+ ATOM 82 CB TRP A 10 10.853 33.735 14.444 1.00 0.00 C
84
+ ATOM 83 O TRP A 10 7.938 32.196 14.522 1.00 0.00 O
85
+ ATOM 84 CG TRP A 10 11.091 35.153 14.023 1.00 0.00 C
86
+ ATOM 85 CD1 TRP A 10 12.147 35.949 14.372 1.00 0.00 C
87
+ ATOM 86 CD2 TRP A 10 10.253 35.947 13.177 1.00 0.00 C
88
+ ATOM 87 CE2 TRP A 10 10.863 37.215 13.055 1.00 0.00 C
89
+ ATOM 88 CE3 TRP A 10 9.045 35.708 12.509 1.00 0.00 C
90
+ ATOM 89 NE1 TRP A 10 12.016 37.190 13.793 1.00 0.00 N
91
+ ATOM 90 CH2 TRP A 10 9.121 37.982 11.648 1.00 0.00 C
92
+ ATOM 91 CZ2 TRP A 10 10.303 38.242 12.291 1.00 0.00 C
93
+ ATOM 92 CZ3 TRP A 10 8.490 36.731 11.750 1.00 0.00 C
94
+ ATOM 93 N LEU A 11 9.524 31.138 15.698 1.00 0.00 N
95
+ ATOM 94 CA LEU A 11 8.891 29.834 15.530 1.00 0.00 C
96
+ ATOM 95 C LEU A 11 7.492 29.826 16.138 1.00 0.00 C
97
+ ATOM 96 CB LEU A 11 9.745 28.738 16.173 1.00 0.00 C
98
+ ATOM 97 O LEU A 11 6.565 29.249 15.564 1.00 0.00 O
99
+ ATOM 98 CG LEU A 11 10.991 28.306 15.397 1.00 0.00 C
100
+ ATOM 99 CD1 LEU A 11 11.853 27.382 16.251 1.00 0.00 C
101
+ ATOM 100 CD2 LEU A 11 10.598 27.627 14.090 1.00 0.00 C
102
+ ATOM 101 N ALA A 12 7.307 30.486 17.226 1.00 0.00 N
103
+ ATOM 102 CA ALA A 12 5.998 30.550 17.872 1.00 0.00 C
104
+ ATOM 103 C ALA A 12 5.033 31.415 17.067 1.00 0.00 C
105
+ ATOM 104 CB ALA A 12 6.133 31.091 19.293 1.00 0.00 C
106
+ ATOM 105 O ALA A 12 3.870 31.048 16.880 1.00 0.00 O
107
+ ATOM 106 N ASN A 13 5.494 32.505 16.553 1.00 0.00 N
108
+ ATOM 107 CA ASN A 13 4.650 33.437 15.814 1.00 0.00 C
109
+ ATOM 108 C ASN A 13 4.254 32.874 14.451 1.00 0.00 C
110
+ ATOM 109 CB ASN A 13 5.356 34.784 15.646 1.00 0.00 C
111
+ ATOM 110 O ASN A 13 3.109 33.026 14.021 1.00 0.00 O
112
+ ATOM 111 CG ASN A 13 5.447 35.561 16.946 1.00 0.00 C
113
+ ATOM 112 ND2 ASN A 13 6.453 36.419 17.054 1.00 0.00 N
114
+ ATOM 113 OD1 ASN A 13 4.619 35.390 17.844 1.00 0.00 O
115
+ ATOM 114 N LEU A 14 5.190 32.220 13.792 1.00 0.00 N
116
+ ATOM 115 CA LEU A 14 4.967 31.744 12.432 1.00 0.00 C
117
+ ATOM 116 C LEU A 14 3.905 30.650 12.406 1.00 0.00 C
118
+ ATOM 117 CB LEU A 14 6.272 31.220 11.826 1.00 0.00 C
119
+ ATOM 118 O LEU A 14 3.239 30.450 11.387 1.00 0.00 O
120
+ ATOM 119 CG LEU A 14 7.281 32.276 11.372 1.00 0.00 C
121
+ ATOM 120 CD1 LEU A 14 8.622 31.624 11.051 1.00 0.00 C
122
+ ATOM 121 CD2 LEU A 14 6.750 33.041 10.166 1.00 0.00 C
123
+ ATOM 122 N LYS A 15 3.717 30.007 13.503 1.00 0.00 N
124
+ ATOM 123 CA LYS A 15 2.680 28.985 13.602 1.00 0.00 C
125
+ ATOM 124 C LYS A 15 1.288 29.611 13.583 1.00 0.00 C
126
+ ATOM 125 CB LYS A 15 2.864 28.153 14.872 1.00 0.00 C
127
+ ATOM 126 O LYS A 15 0.294 28.920 13.350 1.00 0.00 O
128
+ ATOM 127 CG LYS A 15 4.063 27.217 14.830 1.00 0.00 C
129
+ ATOM 128 CD LYS A 15 4.243 26.481 16.152 1.00 0.00 C
130
+ ATOM 129 CE LYS A 15 5.493 25.612 16.143 1.00 0.00 C
131
+ ATOM 130 NZ LYS A 15 5.693 24.916 17.448 1.00 0.00 N
132
+ ATOM 131 N LEU A 16 1.225 30.880 13.791 1.00 0.00 N
133
+ ATOM 132 CA LEU A 16 -0.061 31.544 13.979 1.00 0.00 C
134
+ ATOM 133 C LEU A 16 -0.409 32.405 12.769 1.00 0.00 C
135
+ ATOM 134 CB LEU A 16 -0.040 32.405 15.244 1.00 0.00 C
136
+ ATOM 135 O LEU A 16 -1.454 33.060 12.748 1.00 0.00 O
137
+ ATOM 136 CG LEU A 16 0.261 31.677 16.555 1.00 0.00 C
138
+ ATOM 137 CD1 LEU A 16 0.343 32.672 17.707 1.00 0.00 C
139
+ ATOM 138 CD2 LEU A 16 -0.796 30.614 16.833 1.00 0.00 C
140
+ ATOM 139 N ILE A 17 0.431 32.414 11.846 1.00 0.00 N
141
+ ATOM 140 CA ILE A 17 0.194 33.322 10.729 1.00 0.00 C
142
+ ATOM 141 C ILE A 17 0.061 32.523 9.434 1.00 0.00 C
143
+ ATOM 142 CB ILE A 17 1.326 34.366 10.600 1.00 0.00 C
144
+ ATOM 143 O ILE A 17 0.473 31.362 9.368 1.00 0.00 O
145
+ ATOM 144 CG1 ILE A 17 2.658 33.674 10.289 1.00 0.00 C
146
+ ATOM 145 CG2 ILE A 17 1.431 35.209 11.875 1.00 0.00 C
147
+ ATOM 146 CD1 ILE A 17 3.778 34.632 9.904 1.00 0.00 C
148
+ ATOM 147 N SER A 18 -0.464 33.214 8.447 1.00 0.00 N
149
+ ATOM 148 CA SER A 18 -0.595 32.653 7.106 1.00 0.00 C
150
+ ATOM 149 C SER A 18 0.414 33.274 6.147 1.00 0.00 C
151
+ ATOM 150 CB SER A 18 -2.013 32.860 6.575 1.00 0.00 C
152
+ ATOM 151 O SER A 18 0.687 34.474 6.215 1.00 0.00 O
153
+ ATOM 152 OG SER A 18 -2.331 34.241 6.515 1.00 0.00 O
154
+ ATOM 153 N VAL A 19 0.955 32.403 5.318 1.00 0.00 N
155
+ ATOM 154 CA VAL A 19 1.962 32.821 4.348 1.00 0.00 C
156
+ ATOM 155 C VAL A 19 1.495 32.474 2.936 1.00 0.00 C
157
+ ATOM 156 CB VAL A 19 3.331 32.164 4.632 1.00 0.00 C
158
+ ATOM 157 O VAL A 19 0.996 31.373 2.693 1.00 0.00 O
159
+ ATOM 158 CG1 VAL A 19 4.360 32.585 3.585 1.00 0.00 C
160
+ ATOM 159 CG2 VAL A 19 3.815 32.525 6.036 1.00 0.00 C
161
+ ATOM 160 N SER A 20 1.647 33.422 2.076 1.00 0.00 N
162
+ ATOM 161 CA SER A 20 1.404 33.165 0.660 1.00 0.00 C
163
+ ATOM 162 C SER A 20 2.663 33.398 -0.169 1.00 0.00 C
164
+ ATOM 163 CB SER A 20 0.270 34.050 0.140 1.00 0.00 C
165
+ ATOM 164 O SER A 20 3.400 34.357 0.069 1.00 0.00 O
166
+ ATOM 165 OG SER A 20 -0.069 33.702 -1.190 1.00 0.00 O
167
+ ATOM 166 N LEU A 21 2.919 32.528 -1.076 1.00 0.00 N
168
+ ATOM 167 CA LEU A 21 3.986 32.686 -2.058 1.00 0.00 C
169
+ ATOM 168 C LEU A 21 3.414 33.002 -3.436 1.00 0.00 C
170
+ ATOM 169 CB LEU A 21 4.844 31.420 -2.127 1.00 0.00 C
171
+ ATOM 170 O LEU A 21 2.719 32.173 -4.030 1.00 0.00 O
172
+ ATOM 171 CG LEU A 21 5.635 31.068 -0.867 1.00 0.00 C
173
+ ATOM 172 CD1 LEU A 21 4.773 30.251 0.090 1.00 0.00 C
174
+ ATOM 173 CD2 LEU A 21 6.908 30.310 -1.228 1.00 0.00 C
175
+ ATOM 174 N VAL A 22 3.713 34.146 -3.952 1.00 0.00 N
176
+ ATOM 175 CA VAL A 22 3.095 34.631 -5.180 1.00 0.00 C
177
+ ATOM 176 C VAL A 22 3.742 33.955 -6.387 1.00 0.00 C
178
+ ATOM 177 CB VAL A 22 3.209 36.167 -5.306 1.00 0.00 C
179
+ ATOM 178 O VAL A 22 4.951 33.711 -6.395 1.00 0.00 O
180
+ ATOM 179 CG1 VAL A 22 2.392 36.860 -4.218 1.00 0.00 C
181
+ ATOM 180 CG2 VAL A 22 4.673 36.600 -5.238 1.00 0.00 C
182
+ ATOM 181 N ASP A 23 2.944 33.697 -7.396 1.00 0.00 N
183
+ ATOM 182 CA ASP A 23 3.455 33.023 -8.587 1.00 0.00 C
184
+ ATOM 183 C ASP A 23 3.811 34.031 -9.677 1.00 0.00 C
185
+ ATOM 184 CB ASP A 23 2.431 32.017 -9.115 1.00 0.00 C
186
+ ATOM 185 O ASP A 23 4.521 33.700 -10.628 1.00 0.00 O
187
+ ATOM 186 CG ASP A 23 3.043 30.975 -10.035 1.00 0.00 C
188
+ ATOM 187 OD1 ASP A 23 4.216 30.595 -9.831 1.00 0.00 O
189
+ ATOM 188 OD2 ASP A 23 2.348 30.534 -10.975 1.00 0.00 O
190
+ ATOM 189 N GLU A 24 3.521 35.261 -9.530 1.00 0.00 N
191
+ ATOM 190 CA GLU A 24 3.844 36.301 -10.503 1.00 0.00 C
192
+ ATOM 191 C GLU A 24 5.316 36.693 -10.423 1.00 0.00 C
193
+ ATOM 192 CB GLU A 24 2.960 37.532 -10.288 1.00 0.00 C
194
+ ATOM 193 O GLU A 24 5.873 36.816 -9.330 1.00 0.00 O
195
+ ATOM 194 CG GLU A 24 3.028 38.543 -11.424 1.00 0.00 C
196
+ ATOM 195 CD GLU A 24 2.099 39.731 -11.226 1.00 0.00 C
197
+ ATOM 196 OE1 GLU A 24 2.293 40.772 -11.894 1.00 0.00 O
198
+ ATOM 197 OE2 GLU A 24 1.170 39.620 -10.395 1.00 0.00 O
199
+ ATOM 198 N PHE A 25 5.898 36.907 -11.621 1.00 0.00 N
200
+ ATOM 199 CA PHE A 25 7.286 37.354 -11.668 1.00 0.00 C
201
+ ATOM 200 C PHE A 25 7.361 38.866 -11.838 1.00 0.00 C
202
+ ATOM 201 CB PHE A 25 8.037 36.659 -12.809 1.00 0.00 C
203
+ ATOM 202 O PHE A 25 6.480 39.473 -12.450 1.00 0.00 O
204
+ ATOM 203 CG PHE A 25 8.397 35.229 -12.515 1.00 0.00 C
205
+ ATOM 204 CD1 PHE A 25 9.553 34.918 -11.809 1.00 0.00 C
206
+ ATOM 205 CD2 PHE A 25 7.579 34.192 -12.946 1.00 0.00 C
207
+ ATOM 206 CE1 PHE A 25 9.888 33.594 -11.536 1.00 0.00 C
208
+ ATOM 207 CE2 PHE A 25 7.907 32.867 -12.677 1.00 0.00 C
209
+ ATOM 208 CZ PHE A 25 9.063 32.570 -11.973 1.00 0.00 C
210
+ ATOM 209 N PRO A 26 8.485 39.379 -11.346 1.00 0.00 N
211
+ ATOM 210 CA PRO A 26 8.762 40.766 -11.726 1.00 0.00 C
212
+ ATOM 211 C PRO A 26 9.136 40.911 -13.199 1.00 0.00 C
213
+ ATOM 212 CB PRO A 26 9.938 41.150 -10.825 1.00 0.00 C
214
+ ATOM 213 O PRO A 26 9.251 39.911 -13.913 1.00 0.00 O
215
+ ATOM 214 CG PRO A 26 10.666 39.868 -10.578 1.00 0.00 C
216
+ ATOM 215 CD PRO A 26 9.674 38.741 -10.624 1.00 0.00 C
217
+ ATOM 216 N SER A 27 9.155 42.010 -13.936 1.00 0.00 N
218
+ ATOM 217 CA SER A 27 9.238 42.276 -15.368 1.00 0.00 C
219
+ ATOM 218 C SER A 27 10.594 41.863 -15.930 1.00 0.00 C
220
+ ATOM 219 CB SER A 27 8.990 43.759 -15.653 1.00 0.00 C
221
+ ATOM 220 O SER A 27 10.689 41.428 -17.080 1.00 0.00 O
222
+ ATOM 221 OG SER A 27 7.730 44.163 -15.146 1.00 0.00 O
223
+ ATOM 222 N GLU A 28 11.696 41.917 -15.344 1.00 0.00 N
224
+ ATOM 223 CA GLU A 28 13.009 41.809 -15.971 1.00 0.00 C
225
+ ATOM 224 C GLU A 28 13.769 40.591 -15.456 1.00 0.00 C
226
+ ATOM 225 CB GLU A 28 13.827 43.080 -15.729 1.00 0.00 C
227
+ ATOM 226 O GLU A 28 14.787 40.730 -14.774 1.00 0.00 O
228
+ ATOM 227 CG GLU A 28 13.221 44.330 -16.353 1.00 0.00 C
229
+ ATOM 228 CD GLU A 28 14.139 45.539 -16.287 1.00 0.00 C
230
+ ATOM 229 OE1 GLU A 28 13.824 46.576 -16.915 1.00 0.00 O
231
+ ATOM 230 OE2 GLU A 28 15.184 45.449 -15.605 1.00 0.00 O
232
+ ATOM 231 N LEU A 29 13.281 39.295 -15.817 1.00 0.00 N
233
+ ATOM 232 CA LEU A 29 14.036 38.112 -15.416 1.00 0.00 C
234
+ ATOM 233 C LEU A 29 14.258 37.182 -16.604 1.00 0.00 C
235
+ ATOM 234 CB LEU A 29 13.307 37.363 -14.297 1.00 0.00 C
236
+ ATOM 235 O LEU A 29 13.374 37.025 -17.450 1.00 0.00 O
237
+ ATOM 236 CG LEU A 29 13.277 38.050 -12.931 1.00 0.00 C
238
+ ATOM 237 CD1 LEU A 29 12.348 37.302 -11.981 1.00 0.00 C
239
+ ATOM 238 CD2 LEU A 29 14.684 38.143 -12.348 1.00 0.00 C
240
+ ATOM 239 N SER A 30 15.411 36.685 -16.707 1.00 0.00 N
241
+ ATOM 240 CA SER A 30 15.683 35.670 -17.719 1.00 0.00 C
242
+ ATOM 241 C SER A 30 14.930 34.377 -17.422 1.00 0.00 C
243
+ ATOM 242 CB SER A 30 17.183 35.387 -17.807 1.00 0.00 C
244
+ ATOM 243 O SER A 30 14.506 34.146 -16.288 1.00 0.00 O
245
+ ATOM 244 OG SER A 30 17.624 34.657 -16.676 1.00 0.00 O
246
+ ATOM 245 N ASP A 31 14.772 33.489 -18.394 1.00 0.00 N
247
+ ATOM 246 CA ASP A 31 14.090 32.212 -18.210 1.00 0.00 C
248
+ ATOM 247 C ASP A 31 14.826 31.338 -17.196 1.00 0.00 C
249
+ ATOM 248 CB ASP A 31 13.961 31.475 -19.544 1.00 0.00 C
250
+ ATOM 249 O ASP A 31 14.197 30.641 -16.397 1.00 0.00 O
251
+ ATOM 250 CG ASP A 31 12.968 32.130 -20.489 1.00 0.00 C
252
+ ATOM 251 OD1 ASP A 31 12.071 32.862 -20.019 1.00 0.00 O
253
+ ATOM 252 OD2 ASP A 31 13.083 31.908 -21.714 1.00 0.00 O
254
+ ATOM 253 N SER A 32 16.129 31.375 -17.340 1.00 0.00 N
255
+ ATOM 254 CA SER A 32 16.934 30.593 -16.407 1.00 0.00 C
256
+ ATOM 255 C SER A 32 16.729 31.065 -14.972 1.00 0.00 C
257
+ ATOM 256 CB SER A 32 18.416 30.681 -16.775 1.00 0.00 C
258
+ ATOM 257 O SER A 32 16.572 30.248 -14.062 1.00 0.00 O
259
+ ATOM 258 OG SER A 32 18.874 32.021 -16.707 1.00 0.00 O
260
+ ATOM 259 N ASP A 33 16.720 32.321 -14.771 1.00 0.00 N
261
+ ATOM 260 CA ASP A 33 16.502 32.875 -13.439 1.00 0.00 C
262
+ ATOM 261 C ASP A 33 15.114 32.516 -12.915 1.00 0.00 C
263
+ ATOM 262 CB ASP A 33 16.682 34.395 -13.454 1.00 0.00 C
264
+ ATOM 263 O ASP A 33 14.955 32.183 -11.738 1.00 0.00 O
265
+ ATOM 264 CG ASP A 33 18.122 34.819 -13.679 1.00 0.00 C
266
+ ATOM 265 OD1 ASP A 33 19.045 34.046 -13.346 1.00 0.00 O
267
+ ATOM 266 OD2 ASP A 33 18.337 35.939 -14.191 1.00 0.00 O
268
+ ATOM 267 N ARG A 34 14.163 32.560 -13.783 1.00 0.00 N
269
+ ATOM 268 CA ARG A 34 12.790 32.232 -13.413 1.00 0.00 C
270
+ ATOM 269 C ARG A 34 12.687 30.796 -12.909 1.00 0.00 C
271
+ ATOM 270 CB ARG A 34 11.848 32.440 -14.601 1.00 0.00 C
272
+ ATOM 271 O ARG A 34 12.000 30.528 -11.921 1.00 0.00 O
273
+ ATOM 272 CG ARG A 34 11.613 33.899 -14.953 1.00 0.00 C
274
+ ATOM 273 CD ARG A 34 10.697 34.048 -16.160 1.00 0.00 C
275
+ ATOM 274 NE ARG A 34 10.529 35.448 -16.541 1.00 0.00 N
276
+ ATOM 275 NH1 ARG A 34 8.310 35.232 -17.146 1.00 0.00 N
277
+ ATOM 276 NH2 ARG A 34 9.358 37.265 -17.317 1.00 0.00 N
278
+ ATOM 277 CZ ARG A 34 9.399 35.979 -17.000 1.00 0.00 C
279
+ ATOM 278 N GLN A 35 13.376 29.915 -13.559 1.00 0.00 N
280
+ ATOM 279 CA GLN A 35 13.356 28.513 -13.155 1.00 0.00 C
281
+ ATOM 280 C GLN A 35 13.974 28.330 -11.772 1.00 0.00 C
282
+ ATOM 281 CB GLN A 35 14.093 27.648 -14.179 1.00 0.00 C
283
+ ATOM 282 O GLN A 35 13.409 27.642 -10.919 1.00 0.00 O
284
+ ATOM 283 CG GLN A 35 14.006 26.153 -13.897 1.00 0.00 C
285
+ ATOM 284 CD GLN A 35 14.636 25.312 -14.991 1.00 0.00 C
286
+ ATOM 285 NE2 GLN A 35 14.667 24.000 -14.787 1.00 0.00 N
287
+ ATOM 286 OE1 GLN A 35 15.090 25.838 -16.013 1.00 0.00 O
288
+ ATOM 287 N ILE A 36 15.088 28.941 -11.588 1.00 0.00 N
289
+ ATOM 288 CA ILE A 36 15.785 28.842 -10.311 1.00 0.00 C
290
+ ATOM 289 C ILE A 36 14.898 29.390 -9.196 1.00 0.00 C
291
+ ATOM 290 CB ILE A 36 17.134 29.596 -10.343 1.00 0.00 C
292
+ ATOM 291 O ILE A 36 14.758 28.766 -8.141 1.00 0.00 O
293
+ ATOM 292 CG1 ILE A 36 18.116 28.892 -11.286 1.00 0.00 C
294
+ ATOM 293 CG2 ILE A 36 17.719 29.715 -8.933 1.00 0.00 C
295
+ ATOM 294 CD1 ILE A 36 19.362 29.708 -11.603 1.00 0.00 C
296
+ ATOM 295 N ILE A 37 14.319 30.564 -9.465 1.00 0.00 N
297
+ ATOM 296 CA ILE A 37 13.465 31.198 -8.466 1.00 0.00 C
298
+ ATOM 297 C ILE A 37 12.266 30.301 -8.168 1.00 0.00 C
299
+ ATOM 298 CB ILE A 37 12.989 32.592 -8.930 1.00 0.00 C
300
+ ATOM 299 O ILE A 37 11.880 30.134 -7.008 1.00 0.00 O
301
+ ATOM 300 CG1 ILE A 37 14.155 33.588 -8.912 1.00 0.00 C
302
+ ATOM 301 CG2 ILE A 37 11.833 33.087 -8.057 1.00 0.00 C
303
+ ATOM 302 CD1 ILE A 37 13.862 34.896 -9.632 1.00 0.00 C
304
+ ATOM 303 N ASN A 38 11.691 29.685 -9.166 1.00 0.00 N
305
+ ATOM 304 CA ASN A 38 10.568 28.777 -8.958 1.00 0.00 C
306
+ ATOM 305 C ASN A 38 10.958 27.597 -8.072 1.00 0.00 C
307
+ ATOM 306 CB ASN A 38 10.025 28.279 -10.299 1.00 0.00 C
308
+ ATOM 307 O ASN A 38 10.209 27.218 -7.170 1.00 0.00 O
309
+ ATOM 308 CG ASN A 38 9.008 29.225 -10.905 1.00 0.00 C
310
+ ATOM 309 ND2 ASN A 38 8.771 29.087 -12.205 1.00 0.00 N
311
+ ATOM 310 OD1 ASN A 38 8.440 30.073 -10.212 1.00 0.00 O
312
+ ATOM 311 N GLU A 39 12.098 27.030 -8.311 1.00 0.00 N
313
+ ATOM 312 CA GLU A 39 12.567 25.902 -7.511 1.00 0.00 C
314
+ ATOM 313 C GLU A 39 12.769 26.305 -6.054 1.00 0.00 C
315
+ ATOM 314 CB GLU A 39 13.868 25.337 -8.087 1.00 0.00 C
316
+ ATOM 315 O GLU A 39 12.354 25.587 -5.141 1.00 0.00 O
317
+ ATOM 316 CG GLU A 39 13.690 24.611 -9.412 1.00 0.00 C
318
+ ATOM 317 CD GLU A 39 15.005 24.190 -10.047 1.00 0.00 C
319
+ ATOM 318 OE1 GLU A 39 14.989 23.652 -11.177 1.00 0.00 O
320
+ ATOM 319 OE2 GLU A 39 16.061 24.400 -9.409 1.00 0.00 O
321
+ ATOM 320 N LYS A 40 13.360 27.398 -5.941 1.00 0.00 N
322
+ ATOM 321 CA LYS A 40 13.637 27.876 -4.590 1.00 0.00 C
323
+ ATOM 322 C LYS A 40 12.350 28.273 -3.872 1.00 0.00 C
324
+ ATOM 323 CB LYS A 40 14.602 29.062 -4.628 1.00 0.00 C
325
+ ATOM 324 O LYS A 40 12.224 28.079 -2.661 1.00 0.00 O
326
+ ATOM 325 CG LYS A 40 16.033 28.685 -4.987 1.00 0.00 C
327
+ ATOM 326 CD LYS A 40 16.976 29.872 -4.845 1.00 0.00 C
328
+ ATOM 327 CE LYS A 40 18.422 29.472 -5.104 1.00 0.00 C
329
+ ATOM 328 NZ LYS A 40 19.357 30.622 -4.919 1.00 0.00 N
330
+ ATOM 329 N MET A 41 11.393 28.854 -4.623 1.00 0.00 N
331
+ ATOM 330 CA MET A 41 10.095 29.202 -4.052 1.00 0.00 C
332
+ ATOM 331 C MET A 41 9.377 27.959 -3.536 1.00 0.00 C
333
+ ATOM 332 CB MET A 41 9.226 29.917 -5.087 1.00 0.00 C
334
+ ATOM 333 O MET A 41 8.714 28.006 -2.498 1.00 0.00 O
335
+ ATOM 334 CG MET A 41 9.641 31.356 -5.347 1.00 0.00 C
336
+ ATOM 335 SD MET A 41 9.347 32.444 -3.899 1.00 0.00 S
337
+ ATOM 336 CE MET A 41 7.552 32.675 -4.029 1.00 0.00 C
338
+ ATOM 337 N GLN A 42 9.527 26.875 -4.261 1.00 0.00 N
339
+ ATOM 338 CA GLN A 42 8.938 25.623 -3.800 1.00 0.00 C
340
+ ATOM 339 C GLN A 42 9.601 25.146 -2.511 1.00 0.00 C
341
+ ATOM 340 CB GLN A 42 9.051 24.545 -4.879 1.00 0.00 C
342
+ ATOM 341 O GLN A 42 8.923 24.682 -1.591 1.00 0.00 O
343
+ ATOM 342 CG GLN A 42 8.290 23.267 -4.553 1.00 0.00 C
344
+ ATOM 343 CD GLN A 42 6.809 23.506 -4.330 1.00 0.00 C
345
+ ATOM 344 NE2 GLN A 42 6.273 22.943 -3.251 1.00 0.00 N
346
+ ATOM 345 OE1 GLN A 42 6.150 24.191 -5.118 1.00 0.00 O
347
+ ATOM 346 N LEU A 43 10.876 25.277 -2.432 1.00 0.00 N
348
+ ATOM 347 CA LEU A 43 11.603 24.914 -1.220 1.00 0.00 C
349
+ ATOM 348 C LEU A 43 11.166 25.781 -0.043 1.00 0.00 C
350
+ ATOM 349 CB LEU A 43 13.112 25.052 -1.438 1.00 0.00 C
351
+ ATOM 350 O LEU A 43 10.944 25.275 1.058 1.00 0.00 O
352
+ ATOM 351 CG LEU A 43 14.007 24.611 -0.280 1.00 0.00 C
353
+ ATOM 352 CD1 LEU A 43 13.847 23.117 -0.025 1.00 0.00 C
354
+ ATOM 353 CD2 LEU A 43 15.465 24.956 -0.569 1.00 0.00 C
355
+ ATOM 354 N LEU A 44 11.032 27.056 -0.322 1.00 0.00 N
356
+ ATOM 355 CA LEU A 44 10.556 27.973 0.708 1.00 0.00 C
357
+ ATOM 356 C LEU A 44 9.170 27.569 1.199 1.00 0.00 C
358
+ ATOM 357 CB LEU A 44 10.522 29.408 0.174 1.00 0.00 C
359
+ ATOM 358 O LEU A 44 8.905 27.584 2.403 1.00 0.00 O
360
+ ATOM 359 CG LEU A 44 11.874 30.108 0.024 1.00 0.00 C
361
+ ATOM 360 CD1 LEU A 44 11.698 31.462 -0.656 1.00 0.00 C
362
+ ATOM 361 CD2 LEU A 44 12.546 30.270 1.383 1.00 0.00 C
363
+ ATOM 362 N LYS A 45 8.353 27.287 0.263 1.00 0.00 N
364
+ ATOM 363 CA LYS A 45 7.012 26.836 0.620 1.00 0.00 C
365
+ ATOM 364 C LYS A 45 7.068 25.635 1.559 1.00 0.00 C
366
+ ATOM 365 CB LYS A 45 6.212 26.483 -0.634 1.00 0.00 C
367
+ ATOM 366 O LYS A 45 6.368 25.599 2.574 1.00 0.00 O
368
+ ATOM 367 CG LYS A 45 4.746 26.177 -0.368 1.00 0.00 C
369
+ ATOM 368 CD LYS A 45 3.993 25.884 -1.659 1.00 0.00 C
370
+ ATOM 369 CE LYS A 45 2.541 25.513 -1.388 1.00 0.00 C
371
+ ATOM 370 NZ LYS A 45 1.803 25.206 -2.650 1.00 0.00 N
372
+ ATOM 371 N ASP A 46 7.916 24.676 1.313 1.00 0.00 N
373
+ ATOM 372 CA ASP A 46 8.061 23.466 2.118 1.00 0.00 C
374
+ ATOM 373 C ASP A 46 8.599 23.794 3.509 1.00 0.00 C
375
+ ATOM 374 CB ASP A 46 8.983 22.464 1.420 1.00 0.00 C
376
+ ATOM 375 O ASP A 46 8.132 23.242 4.507 1.00 0.00 O
377
+ ATOM 376 CG ASP A 46 8.359 21.848 0.181 1.00 0.00 C
378
+ ATOM 377 OD1 ASP A 46 7.120 21.912 0.025 1.00 0.00 O
379
+ ATOM 378 OD2 ASP A 46 9.112 21.292 -0.647 1.00 0.00 O
380
+ ATOM 379 N ILE A 47 9.525 24.678 3.528 1.00 0.00 N
381
+ ATOM 380 CA ILE A 47 10.117 25.071 4.802 1.00 0.00 C
382
+ ATOM 381 C ILE A 47 9.065 25.753 5.672 1.00 0.00 C
383
+ ATOM 382 CB ILE A 47 11.331 26.006 4.595 1.00 0.00 C
384
+ ATOM 383 O ILE A 47 8.901 25.408 6.845 1.00 0.00 O
385
+ ATOM 384 CG1 ILE A 47 12.519 25.222 4.027 1.00 0.00 C
386
+ ATOM 385 CG2 ILE A 47 11.708 26.698 5.908 1.00 0.00 C
387
+ ATOM 386 CD1 ILE A 47 13.649 26.100 3.510 1.00 0.00 C
388
+ ATOM 387 N PHE A 48 8.281 26.694 5.126 1.00 0.00 N
389
+ ATOM 388 CA PHE A 48 7.258 27.400 5.888 1.00 0.00 C
390
+ ATOM 389 C PHE A 48 6.162 26.443 6.338 1.00 0.00 C
391
+ ATOM 390 CB PHE A 48 6.656 28.537 5.058 1.00 0.00 C
392
+ ATOM 391 O PHE A 48 5.725 26.489 7.491 1.00 0.00 O
393
+ ATOM 392 CG PHE A 48 7.389 29.843 5.194 1.00 0.00 C
394
+ ATOM 393 CD1 PHE A 48 7.113 30.705 6.248 1.00 0.00 C
395
+ ATOM 394 CD2 PHE A 48 8.356 30.211 4.267 1.00 0.00 C
396
+ ATOM 395 CE1 PHE A 48 7.790 31.916 6.378 1.00 0.00 C
397
+ ATOM 396 CE2 PHE A 48 9.037 31.419 4.389 1.00 0.00 C
398
+ ATOM 397 CZ PHE A 48 8.752 32.270 5.444 1.00 0.00 C
399
+ ATOM 398 N ALA A 49 5.795 25.531 5.412 1.00 0.00 N
400
+ ATOM 399 CA ALA A 49 4.704 24.607 5.709 1.00 0.00 C
401
+ ATOM 400 C ALA A 49 5.149 23.531 6.695 1.00 0.00 C
402
+ ATOM 401 CB ALA A 49 4.186 23.965 4.424 1.00 0.00 C
403
+ ATOM 402 O ALA A 49 4.462 23.265 7.685 1.00 0.00 O
404
+ ATOM 403 N ASN A 50 6.303 22.937 6.532 1.00 0.00 N
405
+ ATOM 404 CA ASN A 50 6.658 21.694 7.208 1.00 0.00 C
406
+ ATOM 405 C ASN A 50 7.590 21.945 8.390 1.00 0.00 C
407
+ ATOM 406 CB ASN A 50 7.299 20.712 6.226 1.00 0.00 C
408
+ ATOM 407 O ASN A 50 7.491 21.275 9.418 1.00 0.00 O
409
+ ATOM 408 CG ASN A 50 6.340 20.261 5.141 1.00 0.00 C
410
+ ATOM 409 ND2 ASN A 50 6.862 20.044 3.940 1.00 0.00 N
411
+ ATOM 410 OD1 ASN A 50 5.139 20.109 5.382 1.00 0.00 O
412
+ ATOM 411 N ASN A 51 8.478 22.862 8.215 1.00 0.00 N
413
+ ATOM 412 CA ASN A 51 9.448 23.123 9.273 1.00 0.00 C
414
+ ATOM 413 C ASN A 51 8.970 24.226 10.212 1.00 0.00 C
415
+ ATOM 414 CB ASN A 51 10.809 23.487 8.676 1.00 0.00 C
416
+ ATOM 415 O ASN A 51 9.027 24.076 11.434 1.00 0.00 O
417
+ ATOM 416 CG ASN A 51 11.396 22.370 7.836 1.00 0.00 C
418
+ ATOM 417 ND2 ASN A 51 12.135 21.472 8.478 1.00 0.00 N
419
+ ATOM 418 OD1 ASN A 51 11.187 22.313 6.622 1.00 0.00 O
420
+ ATOM 419 N LEU A 52 8.440 25.291 9.650 1.00 0.00 N
421
+ ATOM 420 CA LEU A 52 8.043 26.445 10.448 1.00 0.00 C
422
+ ATOM 421 C LEU A 52 6.572 26.352 10.844 1.00 0.00 C
423
+ ATOM 422 CB LEU A 52 8.294 27.743 9.677 1.00 0.00 C
424
+ ATOM 423 O LEU A 52 6.122 27.058 11.748 1.00 0.00 O
425
+ ATOM 424 CG LEU A 52 9.740 28.013 9.256 1.00 0.00 C
426
+ ATOM 425 CD1 LEU A 52 9.831 29.324 8.482 1.00 0.00 C
427
+ ATOM 426 CD2 LEU A 52 10.656 28.039 10.474 1.00 0.00 C
428
+ ATOM 427 N LYS A 53 5.817 25.481 10.158 1.00 0.00 N
429
+ ATOM 428 CA LYS A 53 4.442 25.105 10.471 1.00 0.00 C
430
+ ATOM 429 C LYS A 53 3.494 26.287 10.294 1.00 0.00 C
431
+ ATOM 430 CB LYS A 53 4.346 24.567 11.900 1.00 0.00 C
432
+ ATOM 431 O LYS A 53 2.524 26.430 11.042 1.00 0.00 O
433
+ ATOM 432 CG LYS A 53 5.220 23.350 12.164 1.00 0.00 C
434
+ ATOM 433 CD LYS A 53 4.844 22.185 11.256 1.00 0.00 C
435
+ ATOM 434 CE LYS A 53 5.668 20.943 11.570 1.00 0.00 C
436
+ ATOM 435 NZ LYS A 53 5.455 19.867 10.556 1.00 0.00 N
437
+ ATOM 436 N SER A 54 3.808 27.168 9.333 1.00 0.00 N
438
+ ATOM 437 CA SER A 54 2.885 28.228 8.940 1.00 0.00 C
439
+ ATOM 438 C SER A 54 1.765 27.687 8.057 1.00 0.00 C
440
+ ATOM 439 CB SER A 54 3.629 29.343 8.205 1.00 0.00 C
441
+ ATOM 440 O SER A 54 1.950 26.694 7.350 1.00 0.00 O
442
+ ATOM 441 OG SER A 54 4.678 29.860 9.007 1.00 0.00 O
443
+ ATOM 442 N ALA A 55 0.658 28.364 8.162 1.00 0.00 N
444
+ ATOM 443 CA ALA A 55 -0.385 28.075 7.181 1.00 0.00 C
445
+ ATOM 444 C ALA A 55 -0.029 28.656 5.816 1.00 0.00 C
446
+ ATOM 445 CB ALA A 55 -1.728 28.622 7.656 1.00 0.00 C
447
+ ATOM 446 O ALA A 55 0.350 29.824 5.712 1.00 0.00 O
448
+ ATOM 447 N ILE A 56 -0.100 27.831 4.797 1.00 0.00 N
449
+ ATOM 448 CA ILE A 56 0.128 28.309 3.438 1.00 0.00 C
450
+ ATOM 449 C ILE A 56 -1.203 28.693 2.796 1.00 0.00 C
451
+ ATOM 450 CB ILE A 56 0.850 27.246 2.579 1.00 0.00 C
452
+ ATOM 451 O ILE A 56 -2.113 27.867 2.698 1.00 0.00 O
453
+ ATOM 452 CG1 ILE A 56 2.177 26.843 3.233 1.00 0.00 C
454
+ ATOM 453 CG2 ILE A 56 1.076 27.764 1.156 1.00 0.00 C
455
+ ATOM 454 CD1 ILE A 56 3.123 28.010 3.483 1.00 0.00 C
456
+ ATOM 455 N SER A 57 -1.258 29.940 2.387 1.00 0.00 N
457
+ ATOM 456 CA SER A 57 -2.470 30.450 1.754 1.00 0.00 C
458
+ ATOM 457 C SER A 57 -2.302 30.552 0.242 1.00 0.00 C
459
+ ATOM 458 CB SER A 57 -2.839 31.819 2.327 1.00 0.00 C
460
+ ATOM 459 O SER A 57 -1.248 30.964 -0.245 1.00 0.00 O
461
+ ATOM 460 OG SER A 57 -4.028 32.310 1.733 1.00 0.00 O
462
+ ATOM 461 N ASN A 58 -3.334 30.240 -0.480 1.00 0.00 N
463
+ ATOM 462 CA ASN A 58 -3.337 30.409 -1.929 1.00 0.00 C
464
+ ATOM 463 C ASN A 58 -3.854 31.788 -2.333 1.00 0.00 C
465
+ ATOM 464 CB ASN A 58 -4.173 29.314 -2.596 1.00 0.00 C
466
+ ATOM 465 O ASN A 58 -3.774 32.167 -3.502 1.00 0.00 O
467
+ ATOM 466 CG ASN A 58 -3.552 27.938 -2.452 1.00 0.00 C
468
+ ATOM 467 ND2 ASN A 58 -4.393 26.911 -2.406 1.00 0.00 N
469
+ ATOM 468 OD1 ASN A 58 -2.328 27.799 -2.382 1.00 0.00 O
470
+ ATOM 469 N ASN A 59 -4.412 32.449 -1.354 1.00 0.00 N
471
+ ATOM 470 CA ASN A 59 -4.888 33.814 -1.552 1.00 0.00 C
472
+ ATOM 471 C ASN A 59 -4.010 34.825 -0.821 1.00 0.00 C
473
+ ATOM 472 CB ASN A 59 -6.343 33.946 -1.097 1.00 0.00 C
474
+ ATOM 473 O ASN A 59 -4.126 34.991 0.394 1.00 0.00 O
475
+ ATOM 474 CG ASN A 59 -6.936 35.302 -1.426 1.00 0.00 C
476
+ ATOM 475 ND2 ASN A 59 -8.214 35.483 -1.111 1.00 0.00 N
477
+ ATOM 476 OD1 ASN A 59 -6.253 36.180 -1.959 1.00 0.00 O
478
+ ATOM 477 N PHE A 60 -3.266 35.536 -1.592 1.00 0.00 N
479
+ ATOM 478 CA PHE A 60 -2.301 36.421 -0.948 1.00 0.00 C
480
+ ATOM 479 C PHE A 60 -3.009 37.582 -0.261 1.00 0.00 C
481
+ ATOM 480 CB PHE A 60 -1.292 36.951 -1.971 1.00 0.00 C
482
+ ATOM 481 O PHE A 60 -2.476 38.169 0.684 1.00 0.00 O
483
+ ATOM 482 CG PHE A 60 -1.906 37.817 -3.037 1.00 0.00 C
484
+ ATOM 483 CD1 PHE A 60 -2.272 37.279 -4.265 1.00 0.00 C
485
+ ATOM 484 CD2 PHE A 60 -2.117 39.172 -2.812 1.00 0.00 C
486
+ ATOM 485 CE1 PHE A 60 -2.841 38.079 -5.254 1.00 0.00 C
487
+ ATOM 486 CE2 PHE A 60 -2.685 39.977 -3.795 1.00 0.00 C
488
+ ATOM 487 CZ PHE A 60 -3.045 39.429 -5.016 1.00 0.00 C
489
+ ATOM 488 N ARG A 61 -4.195 37.938 -0.561 1.00 0.00 N
490
+ ATOM 489 CA ARG A 61 -4.894 39.068 0.041 1.00 0.00 C
491
+ ATOM 490 C ARG A 61 -5.344 38.740 1.460 1.00 0.00 C
492
+ ATOM 491 CB ARG A 61 -6.101 39.470 -0.811 1.00 0.00 C
493
+ ATOM 492 O ARG A 61 -5.693 39.638 2.230 1.00 0.00 O
494
+ ATOM 493 CG ARG A 61 -5.731 40.089 -2.150 1.00 0.00 C
495
+ ATOM 494 CD ARG A 61 -6.963 40.537 -2.923 1.00 0.00 C
496
+ ATOM 495 NE ARG A 61 -6.602 41.254 -4.143 1.00 0.00 N
497
+ ATOM 496 NH1 ARG A 61 -7.415 43.296 -3.431 1.00 0.00 N
498
+ ATOM 497 NH2 ARG A 61 -6.456 43.098 -5.504 1.00 0.00 N
499
+ ATOM 498 CZ ARG A 61 -6.825 42.547 -4.357 1.00 0.00 C
500
+ ATOM 499 N GLU A 62 -5.281 37.545 1.820 1.00 0.00 N
501
+ ATOM 500 CA GLU A 62 -5.710 37.105 3.144 1.00 0.00 C
502
+ ATOM 501 C GLU A 62 -4.525 36.626 3.978 1.00 0.00 C
503
+ ATOM 502 CB GLU A 62 -6.755 35.992 3.027 1.00 0.00 C
504
+ ATOM 503 O GLU A 62 -4.707 36.073 5.065 1.00 0.00 O
505
+ ATOM 504 CG GLU A 62 -8.059 36.439 2.380 1.00 0.00 C
506
+ ATOM 505 CD GLU A 62 -9.090 35.326 2.278 1.00 0.00 C
507
+ ATOM 506 OE1 GLU A 62 -10.208 35.579 1.776 1.00 0.00 O
508
+ ATOM 507 OE2 GLU A 62 -8.777 34.192 2.706 1.00 0.00 O
509
+ ATOM 508 N SER A 63 -3.466 36.829 3.454 1.00 0.00 N
510
+ ATOM 509 CA SER A 63 -2.273 36.317 4.121 1.00 0.00 C
511
+ ATOM 510 C SER A 63 -1.608 37.395 4.969 1.00 0.00 C
512
+ ATOM 511 CB SER A 63 -1.276 35.776 3.095 1.00 0.00 C
513
+ ATOM 512 O SER A 63 -1.692 38.583 4.651 1.00 0.00 O
514
+ ATOM 513 OG SER A 63 -1.842 34.708 2.357 1.00 0.00 O
515
+ ATOM 514 N ASP A 64 -0.894 36.912 5.998 1.00 0.00 N
516
+ ATOM 515 CA ASP A 64 -0.124 37.805 6.860 1.00 0.00 C
517
+ ATOM 516 C ASP A 64 1.216 38.163 6.223 1.00 0.00 C
518
+ ATOM 517 CB ASP A 64 0.100 37.165 8.232 1.00 0.00 C
519
+ ATOM 518 O ASP A 64 1.694 39.291 6.362 1.00 0.00 O
520
+ ATOM 519 CG ASP A 64 -1.193 36.911 8.986 1.00 0.00 C
521
+ ATOM 520 OD1 ASP A 64 -1.863 37.886 9.394 1.00 0.00 O
522
+ ATOM 521 OD2 ASP A 64 -1.544 35.727 9.179 1.00 0.00 O
523
+ ATOM 522 N ILE A 65 1.815 37.217 5.645 1.00 0.00 N
524
+ ATOM 523 CA ILE A 65 3.067 37.417 4.921 1.00 0.00 C
525
+ ATOM 524 C ILE A 65 2.893 36.996 3.464 1.00 0.00 C
526
+ ATOM 525 CB ILE A 65 4.227 36.632 5.572 1.00 0.00 C
527
+ ATOM 526 O ILE A 65 2.380 35.911 3.182 1.00 0.00 O
528
+ ATOM 527 CG1 ILE A 65 4.502 37.157 6.985 1.00 0.00 C
529
+ ATOM 528 CG2 ILE A 65 5.486 36.711 4.703 1.00 0.00 C
530
+ ATOM 529 CD1 ILE A 65 5.585 36.389 7.732 1.00 0.00 C
531
+ ATOM 530 N ILE A 66 3.310 37.881 2.634 1.00 0.00 N
532
+ ATOM 531 CA ILE A 66 3.287 37.630 1.198 1.00 0.00 C
533
+ ATOM 532 C ILE A 66 4.715 37.607 0.655 1.00 0.00 C
534
+ ATOM 533 CB ILE A 66 2.448 38.691 0.451 1.00 0.00 C
535
+ ATOM 534 O ILE A 66 5.427 38.611 0.722 1.00 0.00 O
536
+ ATOM 535 CG1 ILE A 66 1.029 38.751 1.027 1.00 0.00 C
537
+ ATOM 536 CG2 ILE A 66 2.417 38.396 -1.051 1.00 0.00 C
538
+ ATOM 537 CD1 ILE A 66 0.253 40.001 0.635 1.00 0.00 C
539
+ ATOM 538 N ILE A 67 5.089 36.460 0.144 1.00 0.00 N
540
+ ATOM 539 CA ILE A 67 6.442 36.288 -0.375 1.00 0.00 C
541
+ ATOM 540 C ILE A 67 6.440 36.476 -1.891 1.00 0.00 C
542
+ ATOM 541 CB ILE A 67 7.015 34.900 -0.008 1.00 0.00 C
543
+ ATOM 542 O ILE A 67 5.755 35.748 -2.613 1.00 0.00 O
544
+ ATOM 543 CG1 ILE A 67 7.057 34.726 1.514 1.00 0.00 C
545
+ ATOM 544 CG2 ILE A 67 8.407 34.713 -0.620 1.00 0.00 C
546
+ ATOM 545 CD1 ILE A 67 7.470 33.332 1.967 1.00 0.00 C
547
+ ATOM 546 N LEU A 68 7.245 37.399 -2.300 1.00 0.00 N
548
+ ATOM 547 CA LEU A 68 7.352 37.780 -3.704 1.00 0.00 C
549
+ ATOM 548 C LEU A 68 8.561 37.116 -4.356 1.00 0.00 C
550
+ ATOM 549 CB LEU A 68 7.455 39.301 -3.841 1.00 0.00 C
551
+ ATOM 550 O LEU A 68 9.534 36.785 -3.677 1.00 0.00 O
552
+ ATOM 551 CG LEU A 68 6.389 40.120 -3.111 1.00 0.00 C
553
+ ATOM 552 CD1 LEU A 68 6.633 41.611 -3.319 1.00 0.00 C
554
+ ATOM 553 CD2 LEU A 68 4.994 39.730 -3.586 1.00 0.00 C
555
+ ATOM 554 N LYS A 69 8.569 36.965 -5.619 1.00 0.00 N
556
+ ATOM 555 CA LYS A 69 9.676 36.396 -6.381 1.00 0.00 C
557
+ ATOM 556 C LYS A 69 10.737 37.451 -6.681 1.00 0.00 C
558
+ ATOM 557 CB LYS A 69 9.168 35.778 -7.685 1.00 0.00 C
559
+ ATOM 558 O LYS A 69 11.798 37.135 -7.225 1.00 0.00 O
560
+ ATOM 559 CG LYS A 69 8.435 34.457 -7.500 1.00 0.00 C
561
+ ATOM 560 CD LYS A 69 7.921 33.912 -8.826 1.00 0.00 C
562
+ ATOM 561 CE LYS A 69 7.273 32.545 -8.656 1.00 0.00 C
563
+ ATOM 562 NZ LYS A 69 6.601 32.091 -9.909 1.00 0.00 N
564
+ ATOM 563 N GLY A 70 10.516 38.656 -6.340 1.00 0.00 N
565
+ ATOM 564 CA GLY A 70 11.386 39.811 -6.493 1.00 0.00 C
566
+ ATOM 565 C GLY A 70 11.050 40.942 -5.539 1.00 0.00 C
567
+ ATOM 566 O GLY A 70 10.409 40.722 -4.510 1.00 0.00 O
568
+ ATOM 567 N GLU A 71 11.607 42.099 -5.808 1.00 0.00 N
569
+ ATOM 568 CA GLU A 71 11.254 43.297 -5.055 1.00 0.00 C
570
+ ATOM 569 C GLU A 71 9.957 43.914 -5.574 1.00 0.00 C
571
+ ATOM 570 CB GLU A 71 12.387 44.326 -5.118 1.00 0.00 C
572
+ ATOM 571 O GLU A 71 9.637 43.793 -6.758 1.00 0.00 O
573
+ ATOM 572 CG GLU A 71 13.708 43.820 -4.557 1.00 0.00 C
574
+ ATOM 573 CD GLU A 71 13.642 43.486 -3.075 1.00 0.00 C
575
+ ATOM 574 OE1 GLU A 71 14.365 42.567 -2.628 1.00 0.00 O
576
+ ATOM 575 OE2 GLU A 71 12.860 44.148 -2.356 1.00 0.00 O
577
+ ATOM 576 N ILE A 72 9.236 44.551 -4.674 1.00 0.00 N
578
+ ATOM 577 CA ILE A 72 7.926 45.089 -5.020 1.00 0.00 C
579
+ ATOM 578 C ILE A 72 8.075 46.149 -6.109 1.00 0.00 C
580
+ ATOM 579 CB ILE A 72 7.216 45.685 -3.784 1.00 0.00 C
581
+ ATOM 580 O ILE A 72 7.198 46.298 -6.963 1.00 0.00 O
582
+ ATOM 581 CG1 ILE A 72 5.776 46.078 -4.134 1.00 0.00 C
583
+ ATOM 582 CG2 ILE A 72 7.995 46.888 -3.242 1.00 0.00 C
584
+ ATOM 583 CD1 ILE A 72 4.919 44.918 -4.620 1.00 0.00 C
585
+ ATOM 584 N GLU A 73 9.181 46.865 -6.080 1.00 0.00 N
586
+ ATOM 585 CA GLU A 73 9.433 47.949 -7.027 1.00 0.00 C
587
+ ATOM 586 C GLU A 73 9.588 47.415 -8.448 1.00 0.00 C
588
+ ATOM 587 CB GLU A 73 10.682 48.736 -6.622 1.00 0.00 C
589
+ ATOM 588 O GLU A 73 9.348 48.138 -9.417 1.00 0.00 O
590
+ ATOM 589 CG GLU A 73 10.509 49.553 -5.350 1.00 0.00 C
591
+ ATOM 590 CD GLU A 73 10.465 48.702 -4.090 1.00 0.00 C
592
+ ATOM 591 OE1 GLU A 73 9.975 49.186 -3.046 1.00 0.00 O
593
+ ATOM 592 OE2 GLU A 73 10.925 47.540 -4.149 1.00 0.00 O
594
+ ATOM 593 N ASP A 74 9.857 46.140 -8.578 1.00 0.00 N
595
+ ATOM 594 CA ASP A 74 10.141 45.548 -9.882 1.00 0.00 C
596
+ ATOM 595 C ASP A 74 8.865 45.030 -10.540 1.00 0.00 C
597
+ ATOM 596 CB ASP A 74 11.160 44.414 -9.746 1.00 0.00 C
598
+ ATOM 597 O ASP A 74 8.887 44.601 -11.696 1.00 0.00 O
599
+ ATOM 598 CG ASP A 74 12.517 44.891 -9.258 1.00 0.00 C
600
+ ATOM 599 OD1 ASP A 74 12.905 46.040 -9.560 1.00 0.00 O
601
+ ATOM 600 OD2 ASP A 74 13.205 44.110 -8.566 1.00 0.00 O
602
+ ATOM 601 N TYR A 75 7.837 45.107 -9.852 1.00 0.00 N
603
+ ATOM 602 CA TYR A 75 6.563 44.674 -10.416 1.00 0.00 C
604
+ ATOM 603 C TYR A 75 5.891 45.808 -11.179 1.00 0.00 C
605
+ ATOM 604 CB TYR A 75 5.632 44.164 -9.311 1.00 0.00 C
606
+ ATOM 605 O TYR A 75 5.927 46.963 -10.748 1.00 0.00 O
607
+ ATOM 606 CG TYR A 75 6.008 42.803 -8.779 1.00 0.00 C
608
+ ATOM 607 CD1 TYR A 75 5.310 41.663 -9.171 1.00 0.00 C
609
+ ATOM 608 CD2 TYR A 75 7.063 42.653 -7.884 1.00 0.00 C
610
+ ATOM 609 CE1 TYR A 75 5.653 40.406 -8.683 1.00 0.00 C
611
+ ATOM 610 CE2 TYR A 75 7.414 41.401 -7.389 1.00 0.00 C
612
+ ATOM 611 OH TYR A 75 7.048 39.045 -7.307 1.00 0.00 O
613
+ ATOM 612 CZ TYR A 75 6.704 40.286 -7.794 1.00 0.00 C
614
+ ATOM 613 N PRO A 76 5.339 45.435 -12.310 1.00 0.00 N
615
+ ATOM 614 CA PRO A 76 4.624 46.472 -13.058 1.00 0.00 C
616
+ ATOM 615 C PRO A 76 3.448 47.057 -12.279 1.00 0.00 C
617
+ ATOM 616 CB PRO A 76 4.138 45.734 -14.307 1.00 0.00 C
618
+ ATOM 617 O PRO A 76 2.847 46.367 -11.451 1.00 0.00 O
619
+ ATOM 618 CG PRO A 76 4.232 44.284 -13.955 1.00 0.00 C
620
+ ATOM 619 CD PRO A 76 5.204 44.130 -12.820 1.00 0.00 C
621
+ ATOM 620 N MET A 77 3.074 48.293 -12.557 1.00 0.00 N
622
+ ATOM 621 CA MET A 77 1.989 48.993 -11.876 1.00 0.00 C
623
+ ATOM 622 C MET A 77 0.656 48.290 -12.109 1.00 0.00 C
624
+ ATOM 623 CB MET A 77 1.904 50.445 -12.347 1.00 0.00 C
625
+ ATOM 624 O MET A 77 -0.272 48.426 -11.311 1.00 0.00 O
626
+ ATOM 625 CG MET A 77 3.050 51.316 -11.858 1.00 0.00 C
627
+ ATOM 626 SD MET A 77 3.102 51.449 -10.029 1.00 0.00 S
628
+ ATOM 627 CE MET A 77 1.606 52.432 -9.736 1.00 0.00 C
629
+ ATOM 628 N SER A 78 0.602 47.502 -13.188 1.00 0.00 N
630
+ ATOM 629 CA SER A 78 -0.637 46.826 -13.558 1.00 0.00 C
631
+ ATOM 630 C SER A 78 -0.747 45.463 -12.883 1.00 0.00 C
632
+ ATOM 631 CB SER A 78 -0.724 46.660 -15.076 1.00 0.00 C
633
+ ATOM 632 O SER A 78 -1.767 44.783 -13.007 1.00 0.00 O
634
+ ATOM 633 OG SER A 78 0.390 45.936 -15.568 1.00 0.00 O
635
+ ATOM 634 N SER A 79 0.288 45.079 -12.183 1.00 0.00 N
636
+ ATOM 635 CA SER A 79 0.264 43.779 -11.520 1.00 0.00 C
637
+ ATOM 636 C SER A 79 -0.689 43.783 -10.330 1.00 0.00 C
638
+ ATOM 637 CB SER A 79 1.668 43.387 -11.058 1.00 0.00 C
639
+ ATOM 638 O SER A 79 -0.787 44.777 -9.609 1.00 0.00 O
640
+ ATOM 639 OG SER A 79 2.029 44.098 -9.886 1.00 0.00 O
641
+ ATOM 640 N GLU A 80 -1.311 42.641 -10.090 1.00 0.00 N
642
+ ATOM 641 CA GLU A 80 -2.217 42.511 -8.953 1.00 0.00 C
643
+ ATOM 642 C GLU A 80 -1.482 42.724 -7.634 1.00 0.00 C
644
+ ATOM 643 CB GLU A 80 -2.897 41.139 -8.961 1.00 0.00 C
645
+ ATOM 644 O GLU A 80 -2.015 43.349 -6.714 1.00 0.00 O
646
+ ATOM 645 CG GLU A 80 -4.042 41.014 -7.967 1.00 0.00 C
647
+ ATOM 646 CD GLU A 80 -4.724 39.656 -8.006 1.00 0.00 C
648
+ ATOM 647 OE1 GLU A 80 -5.643 39.414 -7.191 1.00 0.00 O
649
+ ATOM 648 OE2 GLU A 80 -4.335 38.825 -8.857 1.00 0.00 O
650
+ ATOM 649 N ILE A 81 -0.317 42.271 -7.594 1.00 0.00 N
651
+ ATOM 650 CA ILE A 81 0.487 42.394 -6.383 1.00 0.00 C
652
+ ATOM 651 C ILE A 81 0.790 43.865 -6.112 1.00 0.00 C
653
+ ATOM 652 CB ILE A 81 1.800 41.586 -6.491 1.00 0.00 C
654
+ ATOM 653 O ILE A 81 0.653 44.336 -4.981 1.00 0.00 O
655
+ ATOM 654 CG1 ILE A 81 1.502 40.083 -6.518 1.00 0.00 C
656
+ ATOM 655 CG2 ILE A 81 2.746 41.938 -5.340 1.00 0.00 C
657
+ ATOM 656 CD1 ILE A 81 0.894 39.551 -5.228 1.00 0.00 C
658
+ ATOM 657 N LYS A 82 1.160 44.540 -7.082 1.00 0.00 N
659
+ ATOM 658 CA LYS A 82 1.485 45.956 -6.942 1.00 0.00 C
660
+ ATOM 659 C LYS A 82 0.251 46.769 -6.561 1.00 0.00 C
661
+ ATOM 660 CB LYS A 82 2.090 46.498 -8.238 1.00 0.00 C
662
+ ATOM 661 O LYS A 82 0.323 47.653 -5.706 1.00 0.00 O
663
+ ATOM 662 CG LYS A 82 2.778 47.847 -8.082 1.00 0.00 C
664
+ ATOM 663 CD LYS A 82 4.144 47.706 -7.422 1.00 0.00 C
665
+ ATOM 664 CE LYS A 82 4.931 49.007 -7.480 1.00 0.00 C
666
+ ATOM 665 NZ LYS A 82 6.350 48.816 -7.053 1.00 0.00 N
667
+ ATOM 666 N ILE A 83 -0.798 46.495 -7.204 1.00 0.00 N
668
+ ATOM 667 CA ILE A 83 -2.061 47.150 -6.886 1.00 0.00 C
669
+ ATOM 668 C ILE A 83 -2.419 46.899 -5.423 1.00 0.00 C
670
+ ATOM 669 CB ILE A 83 -3.200 46.661 -7.808 1.00 0.00 C
671
+ ATOM 670 O ILE A 83 -2.730 47.836 -4.684 1.00 0.00 O
672
+ ATOM 671 CG1 ILE A 83 -2.954 47.119 -9.251 1.00 0.00 C
673
+ ATOM 672 CG2 ILE A 83 -4.557 47.155 -7.300 1.00 0.00 C
674
+ ATOM 673 CD1 ILE A 83 -3.852 46.442 -10.277 1.00 0.00 C
675
+ ATOM 674 N TYR A 84 -2.327 45.677 -5.033 1.00 0.00 N
676
+ ATOM 675 CA TYR A 84 -2.651 45.311 -3.659 1.00 0.00 C
677
+ ATOM 676 C TYR A 84 -1.692 45.971 -2.677 1.00 0.00 C
678
+ ATOM 677 CB TYR A 84 -2.612 43.790 -3.484 1.00 0.00 C
679
+ ATOM 678 O TYR A 84 -2.109 46.456 -1.622 1.00 0.00 O
680
+ ATOM 679 CG TYR A 84 -3.080 43.322 -2.127 1.00 0.00 C
681
+ ATOM 680 CD1 TYR A 84 -2.276 42.507 -1.334 1.00 0.00 C
682
+ ATOM 681 CD2 TYR A 84 -4.328 43.694 -1.636 1.00 0.00 C
683
+ ATOM 682 CE1 TYR A 84 -2.704 42.072 -0.084 1.00 0.00 C
684
+ ATOM 683 CE2 TYR A 84 -4.766 43.266 -0.388 1.00 0.00 C
685
+ ATOM 684 OH TYR A 84 -4.377 42.030 1.617 1.00 0.00 O
686
+ ATOM 685 CZ TYR A 84 -3.949 42.457 0.380 1.00 0.00 C
687
+ ATOM 686 N TYR A 85 -0.478 45.956 -2.979 1.00 0.00 N
688
+ ATOM 687 CA TYR A 85 0.520 46.632 -2.158 1.00 0.00 C
689
+ ATOM 688 C TYR A 85 0.148 48.093 -1.938 1.00 0.00 C
690
+ ATOM 689 CB TYR A 85 1.904 46.536 -2.807 1.00 0.00 C
691
+ ATOM 690 O TYR A 85 0.212 48.594 -0.814 1.00 0.00 O
692
+ ATOM 691 CG TYR A 85 2.982 47.271 -2.048 1.00 0.00 C
693
+ ATOM 692 CD1 TYR A 85 3.405 48.536 -2.450 1.00 0.00 C
694
+ ATOM 693 CD2 TYR A 85 3.580 46.703 -0.929 1.00 0.00 C
695
+ ATOM 694 CE1 TYR A 85 4.400 49.217 -1.756 1.00 0.00 C
696
+ ATOM 695 CE2 TYR A 85 4.576 47.374 -0.226 1.00 0.00 C
697
+ ATOM 696 OH TYR A 85 5.963 49.297 0.045 1.00 0.00 O
698
+ ATOM 697 CZ TYR A 85 4.978 48.628 -0.647 1.00 0.00 C
699
+ ATOM 698 N ASN A 86 -0.264 48.731 -2.988 1.00 0.00 N
700
+ ATOM 699 CA ASN A 86 -0.591 50.152 -2.930 1.00 0.00 C
701
+ ATOM 700 C ASN A 86 -1.902 50.395 -2.186 1.00 0.00 C
702
+ ATOM 701 CB ASN A 86 -0.660 50.745 -4.338 1.00 0.00 C
703
+ ATOM 702 O ASN A 86 -2.107 51.467 -1.616 1.00 0.00 O
704
+ ATOM 703 CG ASN A 86 0.700 50.838 -5.000 1.00 0.00 C
705
+ ATOM 704 ND2 ASN A 86 0.712 50.894 -6.326 1.00 0.00 N
706
+ ATOM 705 OD1 ASN A 86 1.733 50.859 -4.325 1.00 0.00 O
707
+ ATOM 706 N GLU A 87 -2.697 49.386 -2.295 1.00 0.00 N
708
+ ATOM 707 CA GLU A 87 -3.973 49.465 -1.591 1.00 0.00 C
709
+ ATOM 708 C GLU A 87 -3.783 49.318 -0.085 1.00 0.00 C
710
+ ATOM 709 CB GLU A 87 -4.938 48.394 -2.107 1.00 0.00 C
711
+ ATOM 710 O GLU A 87 -4.626 49.762 0.698 1.00 0.00 O
712
+ ATOM 711 CG GLU A 87 -5.503 48.688 -3.489 1.00 0.00 C
713
+ ATOM 712 CD GLU A 87 -6.408 47.586 -4.014 1.00 0.00 C
714
+ ATOM 713 OE1 GLU A 87 -7.058 47.783 -5.066 1.00 0.00 O
715
+ ATOM 714 OE2 GLU A 87 -6.469 46.515 -3.369 1.00 0.00 O
716
+ ATOM 715 N LEU A 88 -2.668 48.513 0.334 1.00 0.00 N
717
+ ATOM 716 CA LEU A 88 -2.516 48.054 1.710 1.00 0.00 C
718
+ ATOM 717 C LEU A 88 -2.286 49.230 2.654 1.00 0.00 C
719
+ ATOM 718 CB LEU A 88 -1.354 47.063 1.819 1.00 0.00 C
720
+ ATOM 719 O LEU A 88 -1.732 49.059 3.742 1.00 0.00 O
721
+ ATOM 720 CG LEU A 88 -1.670 45.607 1.472 1.00 0.00 C
722
+ ATOM 721 CD1 LEU A 88 -0.381 44.817 1.277 1.00 0.00 C
723
+ ATOM 722 CD2 LEU A 88 -2.532 44.973 2.559 1.00 0.00 C
724
+ ATOM 723 N GLN A 89 -2.911 50.305 2.591 1.00 0.00 N
725
+ ATOM 724 CA GLN A 89 -2.838 51.381 3.574 1.00 0.00 C
726
+ ATOM 725 C GLN A 89 -3.000 50.842 4.993 1.00 0.00 C
727
+ ATOM 726 CB GLN A 89 -3.904 52.441 3.290 1.00 0.00 C
728
+ ATOM 727 O GLN A 89 -2.423 51.385 5.937 1.00 0.00 O
729
+ ATOM 728 CG GLN A 89 -3.643 53.253 2.028 1.00 0.00 C
730
+ ATOM 729 CD GLN A 89 -4.289 54.626 2.070 1.00 0.00 C
731
+ ATOM 730 NE2 GLN A 89 -4.000 55.447 1.067 1.00 0.00 N
732
+ ATOM 731 OE1 GLN A 89 -5.043 54.943 2.995 1.00 0.00 O
733
+ ATOM 732 N ASN A 90 -3.987 49.868 5.192 1.00 0.00 N
734
+ ATOM 733 CA ASN A 90 -4.435 49.568 6.547 1.00 0.00 C
735
+ ATOM 734 C ASN A 90 -4.222 48.099 6.897 1.00 0.00 C
736
+ ATOM 735 CB ASN A 90 -5.907 49.948 6.723 1.00 0.00 C
737
+ ATOM 736 O ASN A 90 -4.673 47.633 7.944 1.00 0.00 O
738
+ ATOM 737 CG ASN A 90 -6.108 51.440 6.910 1.00 0.00 C
739
+ ATOM 738 ND2 ASN A 90 -7.274 51.935 6.512 1.00 0.00 N
740
+ ATOM 739 OD1 ASN A 90 -5.222 52.140 7.406 1.00 0.00 O
741
+ ATOM 740 N LYS A 91 -3.764 47.377 5.902 1.00 0.00 N
742
+ ATOM 741 CA LYS A 91 -3.696 45.966 6.271 1.00 0.00 C
743
+ ATOM 742 C LYS A 91 -2.310 45.599 6.790 1.00 0.00 C
744
+ ATOM 743 CB LYS A 91 -4.061 45.081 5.077 1.00 0.00 C
745
+ ATOM 744 O LYS A 91 -1.337 46.311 6.535 1.00 0.00 O
746
+ ATOM 745 CG LYS A 91 -5.519 45.184 4.653 1.00 0.00 C
747
+ ATOM 746 CD LYS A 91 -5.858 44.167 3.570 1.00 0.00 C
748
+ ATOM 747 CE LYS A 91 -7.314 44.276 3.138 1.00 0.00 C
749
+ ATOM 748 NZ LYS A 91 -7.646 43.296 2.060 1.00 0.00 N
750
+ ATOM 749 N LYS A 92 -2.388 44.603 7.692 1.00 0.00 N
751
+ ATOM 750 CA LYS A 92 -1.236 44.139 8.460 1.00 0.00 C
752
+ ATOM 751 C LYS A 92 -0.404 43.142 7.658 1.00 0.00 C
753
+ ATOM 752 CB LYS A 92 -1.688 43.504 9.776 1.00 0.00 C
754
+ ATOM 753 O LYS A 92 0.518 42.524 8.191 1.00 0.00 O
755
+ ATOM 754 CG LYS A 92 -2.281 44.494 10.769 1.00 0.00 C
756
+ ATOM 755 CD LYS A 92 -2.582 43.831 12.107 1.00 0.00 C
757
+ ATOM 756 CE LYS A 92 -3.156 44.824 13.107 1.00 0.00 C
758
+ ATOM 757 NZ LYS A 92 -3.434 44.183 14.428 1.00 0.00 N
759
+ ATOM 758 N ALA A 93 -0.630 43.120 6.312 1.00 0.00 N
760
+ ATOM 759 CA ALA A 93 0.159 42.135 5.578 1.00 0.00 C
761
+ ATOM 760 C ALA A 93 1.577 42.641 5.329 1.00 0.00 C
762
+ ATOM 761 CB ALA A 93 -0.519 41.791 4.254 1.00 0.00 C
763
+ ATOM 762 O ALA A 93 1.786 43.836 5.106 1.00 0.00 O
764
+ ATOM 763 N ARG A 94 2.486 41.778 5.447 1.00 0.00 N
765
+ ATOM 764 CA ARG A 94 3.877 42.116 5.164 1.00 0.00 C
766
+ ATOM 765 C ARG A 94 4.323 41.525 3.831 1.00 0.00 C
767
+ ATOM 766 CB ARG A 94 4.790 41.624 6.288 1.00 0.00 C
768
+ ATOM 767 O ARG A 94 4.095 40.344 3.562 1.00 0.00 O
769
+ ATOM 768 CG ARG A 94 4.476 42.230 7.647 1.00 0.00 C
770
+ ATOM 769 CD ARG A 94 5.355 41.644 8.742 1.00 0.00 C
771
+ ATOM 770 NE ARG A 94 4.864 41.992 10.073 1.00 0.00 N
772
+ ATOM 771 NH1 ARG A 94 6.501 40.824 11.210 1.00 0.00 N
773
+ ATOM 772 NH2 ARG A 94 4.888 41.970 12.369 1.00 0.00 N
774
+ ATOM 773 CZ ARG A 94 5.419 41.594 11.214 1.00 0.00 C
775
+ ATOM 774 N PHE A 95 4.994 42.318 3.085 1.00 0.00 N
776
+ ATOM 775 CA PHE A 95 5.556 41.877 1.813 1.00 0.00 C
777
+ ATOM 776 C PHE A 95 7.046 41.593 1.949 1.00 0.00 C
778
+ ATOM 777 CB PHE A 95 5.319 42.929 0.725 1.00 0.00 C
779
+ ATOM 778 O PHE A 95 7.816 42.468 2.353 1.00 0.00 O
780
+ ATOM 779 CG PHE A 95 3.873 43.089 0.339 1.00 0.00 C
781
+ ATOM 780 CD1 PHE A 95 3.399 42.579 -0.863 1.00 0.00 C
782
+ ATOM 781 CD2 PHE A 95 2.987 43.749 1.180 1.00 0.00 C
783
+ ATOM 782 CE1 PHE A 95 2.062 42.725 -1.223 1.00 0.00 C
784
+ ATOM 783 CE2 PHE A 95 1.648 43.899 0.828 1.00 0.00 C
785
+ ATOM 784 CZ PHE A 95 1.188 43.387 -0.374 1.00 0.00 C
786
+ ATOM 785 N TRP A 96 7.420 40.413 1.663 1.00 0.00 N
787
+ ATOM 786 CA TRP A 96 8.825 40.021 1.686 1.00 0.00 C
788
+ ATOM 787 C TRP A 96 9.316 39.672 0.284 1.00 0.00 C
789
+ ATOM 788 CB TRP A 96 9.036 38.830 2.626 1.00 0.00 C
790
+ ATOM 789 O TRP A 96 8.687 38.878 -0.420 1.00 0.00 O
791
+ ATOM 790 CG TRP A 96 8.879 39.166 4.078 1.00 0.00 C
792
+ ATOM 791 CD1 TRP A 96 8.386 40.327 4.607 1.00 0.00 C
793
+ ATOM 792 CD2 TRP A 96 9.220 38.332 5.189 1.00 0.00 C
794
+ ATOM 793 CE2 TRP A 96 8.907 39.052 6.364 1.00 0.00 C
795
+ ATOM 794 CE3 TRP A 96 9.759 37.043 5.306 1.00 0.00 C
796
+ ATOM 795 NE1 TRP A 96 8.401 40.265 5.981 1.00 0.00 N
797
+ ATOM 796 CH2 TRP A 96 9.645 37.262 7.726 1.00 0.00 C
798
+ ATOM 797 CZ2 TRP A 96 9.116 38.524 7.640 1.00 0.00 C
799
+ ATOM 798 CZ3 TRP A 96 9.967 36.521 6.577 1.00 0.00 C
800
+ ATOM 799 N SER A 97 10.399 40.190 -0.041 1.00 0.00 N
801
+ ATOM 800 CA SER A 97 11.049 39.787 -1.283 1.00 0.00 C
802
+ ATOM 801 C SER A 97 11.664 38.397 -1.159 1.00 0.00 C
803
+ ATOM 802 CB SER A 97 12.126 40.798 -1.676 1.00 0.00 C
804
+ ATOM 803 O SER A 97 11.893 37.910 -0.049 1.00 0.00 O
805
+ ATOM 804 OG SER A 97 13.218 40.747 -0.774 1.00 0.00 O
806
+ ATOM 805 N PHE A 98 11.937 37.837 -2.283 1.00 0.00 N
807
+ ATOM 806 CA PHE A 98 12.599 36.540 -2.359 1.00 0.00 C
808
+ ATOM 807 C PHE A 98 13.907 36.554 -1.578 1.00 0.00 C
809
+ ATOM 808 CB PHE A 98 12.863 36.155 -3.817 1.00 0.00 C
810
+ ATOM 809 O PHE A 98 14.140 35.689 -0.731 1.00 0.00 O
811
+ ATOM 810 CG PHE A 98 13.662 34.889 -3.976 1.00 0.00 C
812
+ ATOM 811 CD1 PHE A 98 14.982 34.934 -4.409 1.00 0.00 C
813
+ ATOM 812 CD2 PHE A 98 13.092 33.655 -3.692 1.00 0.00 C
814
+ ATOM 813 CE1 PHE A 98 15.723 33.763 -4.556 1.00 0.00 C
815
+ ATOM 814 CE2 PHE A 98 13.827 32.482 -3.837 1.00 0.00 C
816
+ ATOM 815 CZ PHE A 98 15.143 32.538 -4.270 1.00 0.00 C
817
+ ATOM 816 N MET A 99 14.766 37.551 -1.763 1.00 0.00 N
818
+ ATOM 817 CA MET A 99 16.077 37.650 -1.126 1.00 0.00 C
819
+ ATOM 818 C MET A 99 15.937 37.801 0.385 1.00 0.00 C
820
+ ATOM 819 CB MET A 99 16.866 38.828 -1.699 1.00 0.00 C
821
+ ATOM 820 O MET A 99 16.658 37.156 1.147 1.00 0.00 O
822
+ ATOM 821 CG MET A 99 17.330 38.617 -3.131 1.00 0.00 C
823
+ ATOM 822 SD MET A 99 18.396 37.134 -3.313 1.00 0.00 S
824
+ ATOM 823 CE MET A 99 19.828 37.647 -2.325 1.00 0.00 C
825
+ ATOM 824 N LYS A 100 15.037 38.679 0.734 1.00 0.00 N
826
+ ATOM 825 CA LYS A 100 14.774 38.860 2.158 1.00 0.00 C
827
+ ATOM 826 C LYS A 100 14.336 37.549 2.807 1.00 0.00 C
828
+ ATOM 827 CB LYS A 100 13.705 39.932 2.374 1.00 0.00 C
829
+ ATOM 828 O LYS A 100 14.780 37.218 3.909 1.00 0.00 O
830
+ ATOM 829 CG LYS A 100 13.371 40.187 3.838 1.00 0.00 C
831
+ ATOM 830 CD LYS A 100 12.329 41.288 3.989 1.00 0.00 C
832
+ ATOM 831 CE LYS A 100 11.958 41.511 5.449 1.00 0.00 C
833
+ ATOM 832 NZ LYS A 100 10.907 42.561 5.600 1.00 0.00 N
834
+ ATOM 833 N THR A 101 13.475 36.814 2.169 1.00 0.00 N
835
+ ATOM 834 CA THR A 101 12.950 35.555 2.683 1.00 0.00 C
836
+ ATOM 835 C THR A 101 14.057 34.510 2.792 1.00 0.00 C
837
+ ATOM 836 CB THR A 101 11.818 35.015 1.791 1.00 0.00 C
838
+ ATOM 837 O THR A 101 14.159 33.808 3.801 1.00 0.00 O
839
+ ATOM 838 CG2 THR A 101 11.206 33.750 2.383 1.00 0.00 C
840
+ ATOM 839 OG1 THR A 101 10.796 36.014 1.668 1.00 0.00 O
841
+ ATOM 840 N GLN A 102 14.909 34.445 1.805 1.00 0.00 N
842
+ ATOM 841 CA GLN A 102 16.035 33.518 1.832 1.00 0.00 C
843
+ ATOM 842 C GLN A 102 16.947 33.793 3.024 1.00 0.00 C
844
+ ATOM 843 CB GLN A 102 16.833 33.604 0.530 1.00 0.00 C
845
+ ATOM 844 O GLN A 102 17.349 32.866 3.731 1.00 0.00 O
846
+ ATOM 845 CG GLN A 102 16.178 32.885 -0.642 1.00 0.00 C
847
+ ATOM 846 CD GLN A 102 17.087 32.786 -1.852 1.00 0.00 C
848
+ ATOM 847 NE2 GLN A 102 17.580 31.582 -2.127 1.00 0.00 N
849
+ ATOM 848 OE1 GLN A 102 17.343 33.782 -2.536 1.00 0.00 O
850
+ ATOM 849 N ARG A 103 17.206 34.996 3.210 1.00 0.00 N
851
+ ATOM 850 CA ARG A 103 18.050 35.391 4.333 1.00 0.00 C
852
+ ATOM 851 C ARG A 103 17.402 35.017 5.663 1.00 0.00 C
853
+ ATOM 852 CB ARG A 103 18.329 36.895 4.292 1.00 0.00 C
854
+ ATOM 853 O ARG A 103 18.082 34.558 6.583 1.00 0.00 O
855
+ ATOM 854 CG ARG A 103 19.328 37.306 3.222 1.00 0.00 C
856
+ ATOM 855 CD ARG A 103 19.555 38.811 3.210 1.00 0.00 C
857
+ ATOM 856 NE ARG A 103 20.262 39.241 2.007 1.00 0.00 N
858
+ ATOM 857 NH1 ARG A 103 20.337 41.473 2.597 1.00 0.00 N
859
+ ATOM 858 NH2 ARG A 103 21.259 40.774 0.618 1.00 0.00 N
860
+ ATOM 859 CZ ARG A 103 20.619 40.495 1.743 1.00 0.00 C
861
+ ATOM 860 N PHE A 104 16.116 35.312 5.740 1.00 0.00 N
862
+ ATOM 861 CA PHE A 104 15.365 34.982 6.946 1.00 0.00 C
863
+ ATOM 862 C PHE A 104 15.462 33.493 7.254 1.00 0.00 C
864
+ ATOM 863 CB PHE A 104 13.897 35.394 6.796 1.00 0.00 C
865
+ ATOM 864 O PHE A 104 15.839 33.106 8.361 1.00 0.00 O
866
+ ATOM 865 CG PHE A 104 13.015 34.916 7.918 1.00 0.00 C
867
+ ATOM 866 CD1 PHE A 104 12.263 33.756 7.785 1.00 0.00 C
868
+ ATOM 867 CD2 PHE A 104 12.938 35.630 9.107 1.00 0.00 C
869
+ ATOM 868 CE1 PHE A 104 11.446 33.312 8.822 1.00 0.00 C
870
+ ATOM 869 CE2 PHE A 104 12.124 35.193 10.148 1.00 0.00 C
871
+ ATOM 870 CZ PHE A 104 11.378 34.034 10.003 1.00 0.00 C
872
+ ATOM 871 N VAL A 105 15.224 32.579 6.290 1.00 0.00 N
873
+ ATOM 872 CA VAL A 105 15.214 31.132 6.476 1.00 0.00 C
874
+ ATOM 873 C VAL A 105 16.623 30.643 6.808 1.00 0.00 C
875
+ ATOM 874 CB VAL A 105 14.679 30.403 5.224 1.00 0.00 C
876
+ ATOM 875 O VAL A 105 16.800 29.769 7.659 1.00 0.00 O
877
+ ATOM 876 CG1 VAL A 105 13.180 30.645 5.058 1.00 0.00 C
878
+ ATOM 877 CG2 VAL A 105 15.438 30.855 3.978 1.00 0.00 C
879
+ ATOM 878 N SER A 106 17.592 31.226 6.186 1.00 0.00 N
880
+ ATOM 879 CA SER A 106 18.975 30.888 6.506 1.00 0.00 C
881
+ ATOM 880 C SER A 106 19.306 31.227 7.954 1.00 0.00 C
882
+ ATOM 881 CB SER A 106 19.937 31.621 5.568 1.00 0.00 C
883
+ ATOM 882 O SER A 106 19.945 30.436 8.652 1.00 0.00 O
884
+ ATOM 883 OG SER A 106 21.266 31.165 5.755 1.00 0.00 O
885
+ ATOM 884 N ASN A 107 18.833 32.372 8.349 1.00 0.00 N
886
+ ATOM 885 CA ASN A 107 19.062 32.792 9.728 1.00 0.00 C
887
+ ATOM 886 C ASN A 107 18.322 31.897 10.717 1.00 0.00 C
888
+ ATOM 887 CB ASN A 107 18.647 34.252 9.920 1.00 0.00 C
889
+ ATOM 888 O ASN A 107 18.694 31.819 11.889 1.00 0.00 O
890
+ ATOM 889 CG ASN A 107 19.636 35.226 9.310 1.00 0.00 C
891
+ ATOM 890 ND2 ASN A 107 19.161 36.419 8.972 1.00 0.00 N
892
+ ATOM 891 OD1 ASN A 107 20.816 34.908 9.141 1.00 0.00 O
893
+ ATOM 892 N MET A 108 17.238 31.314 10.272 1.00 0.00 N
894
+ ATOM 893 CA MET A 108 16.485 30.361 11.084 1.00 0.00 C
895
+ ATOM 894 C MET A 108 17.191 29.011 11.132 1.00 0.00 C
896
+ ATOM 895 CB MET A 108 15.067 30.191 10.537 1.00 0.00 C
897
+ ATOM 896 O MET A 108 16.832 28.145 11.933 1.00 0.00 O
898
+ ATOM 897 CG MET A 108 14.188 31.418 10.719 1.00 0.00 C
899
+ ATOM 898 SD MET A 108 13.845 31.781 12.485 1.00 0.00 S
900
+ ATOM 899 CE MET A 108 12.577 30.530 12.828 1.00 0.00 C
901
+ ATOM 900 N GLY A 109 18.197 28.728 10.253 1.00 0.00 N
902
+ ATOM 901 CA GLY A 109 18.996 27.515 10.296 1.00 0.00 C
903
+ ATOM 902 C GLY A 109 18.671 26.545 9.176 1.00 0.00 C
904
+ ATOM 903 O GLY A 109 19.002 25.360 9.257 1.00 0.00 O
905
+ ATOM 904 N PHE A 110 17.898 27.044 8.189 1.00 0.00 N
906
+ ATOM 905 CA PHE A 110 17.560 26.208 7.044 1.00 0.00 C
907
+ ATOM 906 C PHE A 110 18.374 26.609 5.820 1.00 0.00 C
908
+ ATOM 907 CB PHE A 110 16.062 26.301 6.732 1.00 0.00 C
909
+ ATOM 908 O PHE A 110 18.612 27.797 5.588 1.00 0.00 O
910
+ ATOM 909 CG PHE A 110 15.177 25.903 7.882 1.00 0.00 C
911
+ ATOM 910 CD1 PHE A 110 14.943 24.563 8.166 1.00 0.00 C
912
+ ATOM 911 CD2 PHE A 110 14.579 26.870 8.680 1.00 0.00 C
913
+ ATOM 912 CE1 PHE A 110 14.124 24.192 9.230 1.00 0.00 C
914
+ ATOM 913 CE2 PHE A 110 13.759 26.507 9.745 1.00 0.00 C
915
+ ATOM 914 CZ PHE A 110 13.532 25.167 10.018 1.00 0.00 C
916
+ ATOM 915 N ASP A 111 18.805 25.600 5.055 1.00 0.00 N
917
+ ATOM 916 CA ASP A 111 19.585 25.838 3.844 1.00 0.00 C
918
+ ATOM 917 C ASP A 111 18.700 25.774 2.601 1.00 0.00 C
919
+ ATOM 918 CB ASP A 111 20.724 24.824 3.732 1.00 0.00 C
920
+ ATOM 919 O ASP A 111 17.849 24.889 2.482 1.00 0.00 O
921
+ ATOM 920 CG ASP A 111 21.865 25.105 4.694 1.00 0.00 C
922
+ ATOM 921 OD1 ASP A 111 22.147 26.290 4.976 1.00 0.00 O
923
+ ATOM 922 OD2 ASP A 111 22.490 24.133 5.172 1.00 0.00 O
924
+ ATOM 923 N ILE A 112 18.886 26.866 1.707 1.00 0.00 N
925
+ ATOM 924 CA ILE A 112 18.184 26.926 0.429 1.00 0.00 C
926
+ ATOM 925 C ILE A 112 19.180 27.211 -0.693 1.00 0.00 C
927
+ ATOM 926 CB ILE A 112 17.073 28.000 0.445 1.00 0.00 C
928
+ ATOM 927 O ILE A 112 20.183 27.896 -0.482 1.00 0.00 O
929
+ ATOM 928 CG1 ILE A 112 15.947 27.588 1.400 1.00 0.00 C
930
+ ATOM 929 CG2 ILE A 112 16.534 28.240 -0.968 1.00 0.00 C
931
+ ATOM 930 CD1 ILE A 112 14.815 28.602 1.495 1.00 0.00 C
932
+ ATOM 931 OXT ILE A 112 18.475 26.542 -1.406 1.00 0.00 O
933
+ TER 932 ILE A 112
934
+ END
6qtm/6qtm_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,934 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N LEU A 1 19.138 39.568 24.830 1.00 0.00 N
3
+ ATOM 2 CA LEU A 1 18.278 38.532 24.269 1.00 0.00 C
4
+ ATOM 3 C LEU A 1 19.075 37.595 23.368 1.00 0.00 C
5
+ ATOM 4 CB LEU A 1 17.127 39.161 23.479 1.00 0.00 C
6
+ ATOM 5 O LEU A 1 19.789 38.047 22.470 1.00 0.00 O
7
+ ATOM 6 CG LEU A 1 15.788 39.277 24.209 1.00 0.00 C
8
+ ATOM 7 CD1 LEU A 1 15.163 40.645 23.958 1.00 0.00 C
9
+ ATOM 8 CD2 LEU A 1 14.841 38.163 23.773 1.00 0.00 C
10
+ ATOM 9 N SER A 2 19.430 36.278 23.836 1.00 0.00 N
11
+ ATOM 10 CA SER A 2 20.316 35.420 23.057 1.00 0.00 C
12
+ ATOM 11 C SER A 2 19.747 35.156 21.667 1.00 0.00 C
13
+ ATOM 12 CB SER A 2 20.552 34.094 23.781 1.00 0.00 C
14
+ ATOM 13 O SER A 2 18.540 35.283 21.450 1.00 0.00 O
15
+ ATOM 14 OG SER A 2 19.371 33.310 23.792 1.00 0.00 O
16
+ ATOM 15 N LYS A 3 20.437 35.298 20.539 1.00 0.00 N
17
+ ATOM 16 CA LYS A 3 19.998 34.902 19.204 1.00 0.00 C
18
+ ATOM 17 C LYS A 3 19.084 33.681 19.264 1.00 0.00 C
19
+ ATOM 18 CB LYS A 3 21.202 34.610 18.308 1.00 0.00 C
20
+ ATOM 19 O LYS A 3 18.105 33.594 18.520 1.00 0.00 O
21
+ ATOM 20 CG LYS A 3 21.817 35.849 17.674 1.00 0.00 C
22
+ ATOM 21 CD LYS A 3 22.906 35.484 16.673 1.00 0.00 C
23
+ ATOM 22 CE LYS A 3 23.533 36.724 16.050 1.00 0.00 C
24
+ ATOM 23 NZ LYS A 3 24.587 36.370 15.054 1.00 0.00 N
25
+ ATOM 24 N SER A 4 19.370 32.834 20.229 1.00 0.00 N
26
+ ATOM 25 CA SER A 4 18.568 31.617 20.308 1.00 0.00 C
27
+ ATOM 26 C SER A 4 17.152 31.918 20.789 1.00 0.00 C
28
+ ATOM 27 CB SER A 4 19.227 30.599 21.239 1.00 0.00 C
29
+ ATOM 28 O SER A 4 16.186 31.337 20.292 1.00 0.00 O
30
+ ATOM 29 OG SER A 4 19.262 31.084 22.570 1.00 0.00 O
31
+ ATOM 30 N SER A 5 17.047 32.806 21.724 1.00 0.00 N
32
+ ATOM 31 CA SER A 5 15.723 33.097 22.262 1.00 0.00 C
33
+ ATOM 32 C SER A 5 14.847 33.799 21.229 1.00 0.00 C
34
+ ATOM 33 CB SER A 5 15.833 33.962 23.519 1.00 0.00 C
35
+ ATOM 34 O SER A 5 13.650 33.524 21.132 1.00 0.00 O
36
+ ATOM 35 OG SER A 5 16.456 35.201 23.225 1.00 0.00 O
37
+ ATOM 36 N TRP A 6 15.451 34.725 20.549 1.00 0.00 N
38
+ ATOM 37 CA TRP A 6 14.742 35.439 19.492 1.00 0.00 C
39
+ ATOM 38 C TRP A 6 14.237 34.473 18.427 1.00 0.00 C
40
+ ATOM 39 CB TRP A 6 15.651 36.494 18.854 1.00 0.00 C
41
+ ATOM 40 O TRP A 6 13.100 34.592 17.961 1.00 0.00 O
42
+ ATOM 41 CG TRP A 6 14.991 37.285 17.764 1.00 0.00 C
43
+ ATOM 42 CD1 TRP A 6 14.121 38.329 17.914 1.00 0.00 C
44
+ ATOM 43 CD2 TRP A 6 15.146 37.092 16.355 1.00 0.00 C
45
+ ATOM 44 CE2 TRP A 6 14.341 38.055 15.709 1.00 0.00 C
46
+ ATOM 45 CE3 TRP A 6 15.891 36.196 15.575 1.00 0.00 C
47
+ ATOM 46 NE1 TRP A 6 13.726 38.796 16.682 1.00 0.00 N
48
+ ATOM 47 CH2 TRP A 6 14.996 37.260 13.578 1.00 0.00 C
49
+ ATOM 48 CZ2 TRP A 6 14.259 38.149 14.318 1.00 0.00 C
50
+ ATOM 49 CZ3 TRP A 6 15.808 36.291 14.191 1.00 0.00 C
51
+ ATOM 50 N ARG A 7 15.014 33.504 18.043 1.00 0.00 N
52
+ ATOM 51 CA ARG A 7 14.642 32.493 17.057 1.00 0.00 C
53
+ ATOM 52 C ARG A 7 13.446 31.677 17.536 1.00 0.00 C
54
+ ATOM 53 CB ARG A 7 15.824 31.568 16.764 1.00 0.00 C
55
+ ATOM 54 O ARG A 7 12.526 31.403 16.762 1.00 0.00 O
56
+ ATOM 55 CG ARG A 7 16.877 32.183 15.856 1.00 0.00 C
57
+ ATOM 56 CD ARG A 7 17.996 31.199 15.542 1.00 0.00 C
58
+ ATOM 57 NE ARG A 7 19.079 31.833 14.795 1.00 0.00 N
59
+ ATOM 58 NH1 ARG A 7 20.495 30.011 14.898 1.00 0.00 N
60
+ ATOM 59 NH2 ARG A 7 21.156 31.923 13.820 1.00 0.00 N
61
+ ATOM 60 CZ ARG A 7 20.240 31.255 14.506 1.00 0.00 C
62
+ ATOM 61 N GLN A 8 13.537 31.280 18.748 1.00 0.00 N
63
+ ATOM 62 CA GLN A 8 12.473 30.451 19.306 1.00 0.00 C
64
+ ATOM 63 C GLN A 8 11.146 31.204 19.332 1.00 0.00 C
65
+ ATOM 64 CB GLN A 8 12.840 29.985 20.717 1.00 0.00 C
66
+ ATOM 65 O GLN A 8 10.094 30.628 19.048 1.00 0.00 O
67
+ ATOM 66 CG GLN A 8 13.846 28.843 20.744 1.00 0.00 C
68
+ ATOM 67 CD GLN A 8 14.124 28.338 22.147 1.00 0.00 C
69
+ ATOM 68 NE2 GLN A 8 14.875 27.247 22.247 1.00 0.00 N
70
+ ATOM 69 OE1 GLN A 8 13.666 28.925 23.134 1.00 0.00 O
71
+ ATOM 70 N GLU A 9 11.218 32.456 19.720 1.00 0.00 N
72
+ ATOM 71 CA GLU A 9 9.998 33.257 19.744 1.00 0.00 C
73
+ ATOM 72 C GLU A 9 9.404 33.399 18.345 1.00 0.00 C
74
+ ATOM 73 CB GLU A 9 10.274 34.639 20.340 1.00 0.00 C
75
+ ATOM 74 O GLU A 9 8.189 33.275 18.166 1.00 0.00 O
76
+ ATOM 75 CG GLU A 9 9.016 35.409 20.716 1.00 0.00 C
77
+ ATOM 76 CD GLU A 9 9.305 36.724 21.421 1.00 0.00 C
78
+ ATOM 77 OE1 GLU A 9 10.489 37.008 21.716 1.00 0.00 O
79
+ ATOM 78 OE2 GLU A 9 8.341 37.479 21.681 1.00 0.00 O
80
+ ATOM 79 N TRP A 10 10.218 33.672 17.372 1.00 0.00 N
81
+ ATOM 80 CA TRP A 10 9.744 33.816 15.999 1.00 0.00 C
82
+ ATOM 81 C TRP A 10 9.139 32.510 15.493 1.00 0.00 C
83
+ ATOM 82 CB TRP A 10 10.887 34.254 15.079 1.00 0.00 C
84
+ ATOM 83 O TRP A 10 8.105 32.518 14.820 1.00 0.00 O
85
+ ATOM 84 CG TRP A 10 11.052 35.741 14.979 1.00 0.00 C
86
+ ATOM 85 CD1 TRP A 10 11.890 36.528 15.718 1.00 0.00 C
87
+ ATOM 86 CD2 TRP A 10 10.356 36.620 14.091 1.00 0.00 C
88
+ ATOM 87 CE2 TRP A 10 10.823 37.928 14.345 1.00 0.00 C
89
+ ATOM 88 CE3 TRP A 10 9.381 36.428 13.102 1.00 0.00 C
90
+ ATOM 89 NE1 TRP A 10 11.757 37.845 15.341 1.00 0.00 N
91
+ ATOM 90 CH2 TRP A 10 9.395 38.825 12.684 1.00 0.00 C
92
+ ATOM 91 CZ2 TRP A 10 10.348 39.041 13.646 1.00 0.00 C
93
+ ATOM 92 CZ3 TRP A 10 8.909 37.535 12.407 1.00 0.00 C
94
+ ATOM 93 N LEU A 11 9.814 31.484 15.833 1.00 0.00 N
95
+ ATOM 94 CA LEU A 11 9.326 30.182 15.392 1.00 0.00 C
96
+ ATOM 95 C LEU A 11 7.933 29.908 15.948 1.00 0.00 C
97
+ ATOM 96 CB LEU A 11 10.288 29.074 15.827 1.00 0.00 C
98
+ ATOM 97 O LEU A 11 7.070 29.381 15.241 1.00 0.00 O
99
+ ATOM 98 CG LEU A 11 11.586 28.950 15.027 1.00 0.00 C
100
+ ATOM 99 CD1 LEU A 11 12.552 28.000 15.727 1.00 0.00 C
101
+ ATOM 100 CD2 LEU A 11 11.296 28.474 13.608 1.00 0.00 C
102
+ ATOM 101 N ALA A 12 7.782 30.239 17.213 1.00 0.00 N
103
+ ATOM 102 CA ALA A 12 6.476 30.033 17.835 1.00 0.00 C
104
+ ATOM 103 C ALA A 12 5.399 30.854 17.131 1.00 0.00 C
105
+ ATOM 104 CB ALA A 12 6.531 30.393 19.317 1.00 0.00 C
106
+ ATOM 105 O ALA A 12 4.266 30.393 16.970 1.00 0.00 O
107
+ ATOM 106 N ASN A 13 5.760 31.999 16.680 1.00 0.00 N
108
+ ATOM 107 CA ASN A 13 4.804 32.902 16.047 1.00 0.00 C
109
+ ATOM 108 C ASN A 13 4.515 32.490 14.606 1.00 0.00 C
110
+ ATOM 109 CB ASN A 13 5.315 34.343 16.095 1.00 0.00 C
111
+ ATOM 110 O ASN A 13 3.412 32.713 14.102 1.00 0.00 O
112
+ ATOM 111 CG ASN A 13 5.239 34.944 17.485 1.00 0.00 C
113
+ ATOM 112 ND2 ASN A 13 6.141 35.873 17.780 1.00 0.00 N
114
+ ATOM 113 OD1 ASN A 13 4.379 34.575 18.289 1.00 0.00 O
115
+ ATOM 114 N LEU A 14 5.467 31.910 14.047 1.00 0.00 N
116
+ ATOM 115 CA LEU A 14 5.334 31.562 12.636 1.00 0.00 C
117
+ ATOM 116 C LEU A 14 4.273 30.485 12.440 1.00 0.00 C
118
+ ATOM 117 CB LEU A 14 6.675 31.085 12.073 1.00 0.00 C
119
+ ATOM 118 O LEU A 14 3.636 30.419 11.386 1.00 0.00 O
120
+ ATOM 119 CG LEU A 14 7.694 32.174 11.733 1.00 0.00 C
121
+ ATOM 120 CD1 LEU A 14 9.056 31.552 11.444 1.00 0.00 C
122
+ ATOM 121 CD2 LEU A 14 7.215 33.002 10.545 1.00 0.00 C
123
+ ATOM 122 N LYS A 15 4.115 29.577 13.462 1.00 0.00 N
124
+ ATOM 123 CA LYS A 15 3.054 28.576 13.407 1.00 0.00 C
125
+ ATOM 124 C LYS A 15 1.684 29.234 13.271 1.00 0.00 C
126
+ ATOM 125 CB LYS A 15 3.089 27.688 14.651 1.00 0.00 C
127
+ ATOM 126 O LYS A 15 0.741 28.619 12.769 1.00 0.00 O
128
+ ATOM 127 CG LYS A 15 4.317 26.794 14.741 1.00 0.00 C
129
+ ATOM 128 CD LYS A 15 4.279 25.914 15.982 1.00 0.00 C
130
+ ATOM 129 CE LYS A 15 5.530 25.053 16.097 1.00 0.00 C
131
+ ATOM 130 NZ LYS A 15 5.515 24.216 17.335 1.00 0.00 N
132
+ ATOM 131 N LEU A 16 1.646 30.436 13.614 1.00 0.00 N
133
+ ATOM 132 CA LEU A 16 0.363 31.129 13.601 1.00 0.00 C
134
+ ATOM 133 C LEU A 16 0.201 31.951 12.327 1.00 0.00 C
135
+ ATOM 134 CB LEU A 16 0.231 32.035 14.828 1.00 0.00 C
136
+ ATOM 135 O LEU A 16 -0.841 32.578 12.116 1.00 0.00 O
137
+ ATOM 136 CG LEU A 16 0.289 31.344 16.191 1.00 0.00 C
138
+ ATOM 137 CD1 LEU A 16 0.246 32.377 17.312 1.00 0.00 C
139
+ ATOM 138 CD2 LEU A 16 -0.854 30.345 16.335 1.00 0.00 C
140
+ ATOM 139 N ILE A 17 1.209 31.847 11.551 1.00 0.00 N
141
+ ATOM 140 CA ILE A 17 1.249 32.734 10.393 1.00 0.00 C
142
+ ATOM 141 C ILE A 17 0.822 31.969 9.142 1.00 0.00 C
143
+ ATOM 142 CB ILE A 17 2.655 33.341 10.196 1.00 0.00 C
144
+ ATOM 143 O ILE A 17 1.247 30.831 8.927 1.00 0.00 O
145
+ ATOM 144 CG1 ILE A 17 3.004 34.274 11.361 1.00 0.00 C
146
+ ATOM 145 CG2 ILE A 17 2.741 34.083 8.857 1.00 0.00 C
147
+ ATOM 146 CD1 ILE A 17 4.407 34.860 11.289 1.00 0.00 C
148
+ ATOM 147 N SER A 18 -0.014 32.514 8.410 1.00 0.00 N
149
+ ATOM 148 CA SER A 18 -0.382 31.983 7.102 1.00 0.00 C
150
+ ATOM 149 C SER A 18 0.461 32.608 5.994 1.00 0.00 C
151
+ ATOM 150 CB SER A 18 -1.866 32.226 6.823 1.00 0.00 C
152
+ ATOM 151 O SER A 18 0.719 33.812 6.009 1.00 0.00 O
153
+ ATOM 152 OG SER A 18 -2.154 33.613 6.807 1.00 0.00 O
154
+ ATOM 153 N VAL A 19 0.908 31.703 5.134 1.00 0.00 N
155
+ ATOM 154 CA VAL A 19 1.822 32.130 4.081 1.00 0.00 C
156
+ ATOM 155 C VAL A 19 1.250 31.755 2.716 1.00 0.00 C
157
+ ATOM 156 CB VAL A 19 3.225 31.509 4.259 1.00 0.00 C
158
+ ATOM 157 O VAL A 19 0.760 30.639 2.527 1.00 0.00 O
159
+ ATOM 158 CG1 VAL A 19 4.160 31.956 3.137 1.00 0.00 C
160
+ ATOM 159 CG2 VAL A 19 3.804 31.884 5.622 1.00 0.00 C
161
+ ATOM 160 N SER A 20 1.299 32.677 1.761 1.00 0.00 N
162
+ ATOM 161 CA SER A 20 0.965 32.418 0.363 1.00 0.00 C
163
+ ATOM 162 C SER A 20 2.172 32.629 -0.543 1.00 0.00 C
164
+ ATOM 163 CB SER A 20 -0.186 33.318 -0.089 1.00 0.00 C
165
+ ATOM 164 O SER A 20 2.917 33.598 -0.377 1.00 0.00 O
166
+ ATOM 165 OG SER A 20 -1.402 32.924 0.522 1.00 0.00 O
167
+ ATOM 166 N LEU A 21 2.378 31.741 -1.374 1.00 0.00 N
168
+ ATOM 167 CA LEU A 21 3.390 31.887 -2.414 1.00 0.00 C
169
+ ATOM 168 C LEU A 21 2.744 32.161 -3.767 1.00 0.00 C
170
+ ATOM 169 CB LEU A 21 4.261 30.631 -2.496 1.00 0.00 C
171
+ ATOM 170 O LEU A 21 2.079 31.289 -4.330 1.00 0.00 O
172
+ ATOM 171 CG LEU A 21 5.132 30.329 -1.275 1.00 0.00 C
173
+ ATOM 172 CD1 LEU A 21 4.380 29.435 -0.295 1.00 0.00 C
174
+ ATOM 173 CD2 LEU A 21 6.444 29.677 -1.702 1.00 0.00 C
175
+ ATOM 174 N VAL A 22 2.977 33.291 -4.220 1.00 0.00 N
176
+ ATOM 175 CA VAL A 22 2.295 33.763 -5.421 1.00 0.00 C
177
+ ATOM 176 C VAL A 22 2.969 33.180 -6.661 1.00 0.00 C
178
+ ATOM 177 CB VAL A 22 2.284 35.306 -5.496 1.00 0.00 C
179
+ ATOM 178 O VAL A 22 4.192 33.253 -6.804 1.00 0.00 O
180
+ ATOM 179 CG1 VAL A 22 1.674 35.778 -6.815 1.00 0.00 C
181
+ ATOM 180 CG2 VAL A 22 1.519 35.893 -4.310 1.00 0.00 C
182
+ ATOM 181 N ASP A 23 2.170 32.598 -7.525 1.00 0.00 N
183
+ ATOM 182 CA ASP A 23 2.695 31.906 -8.698 1.00 0.00 C
184
+ ATOM 183 C ASP A 23 2.774 32.844 -9.900 1.00 0.00 C
185
+ ATOM 184 CB ASP A 23 1.830 30.690 -9.037 1.00 0.00 C
186
+ ATOM 185 O ASP A 23 3.035 32.405 -11.021 1.00 0.00 O
187
+ ATOM 186 CG ASP A 23 2.499 29.738 -10.012 1.00 0.00 C
188
+ ATOM 187 OD1 ASP A 23 3.743 29.620 -9.992 1.00 0.00 O
189
+ ATOM 188 OD2 ASP A 23 1.776 29.103 -10.809 1.00 0.00 O
190
+ ATOM 189 N GLU A 24 2.548 34.069 -9.777 1.00 0.00 N
191
+ ATOM 190 CA GLU A 24 2.667 35.064 -10.838 1.00 0.00 C
192
+ ATOM 191 C GLU A 24 4.084 35.621 -10.916 1.00 0.00 C
193
+ ATOM 192 CB GLU A 24 1.665 36.203 -10.623 1.00 0.00 C
194
+ ATOM 193 O GLU A 24 4.708 35.892 -9.888 1.00 0.00 O
195
+ ATOM 194 CG GLU A 24 1.585 37.179 -11.786 1.00 0.00 C
196
+ ATOM 195 CD GLU A 24 0.546 38.271 -11.583 1.00 0.00 C
197
+ ATOM 196 OE1 GLU A 24 -0.225 38.199 -10.599 1.00 0.00 O
198
+ ATOM 197 OE2 GLU A 24 0.501 39.204 -12.415 1.00 0.00 O
199
+ ATOM 198 N PHE A 25 4.594 35.739 -12.091 1.00 0.00 N
200
+ ATOM 199 CA PHE A 25 5.926 36.294 -12.300 1.00 0.00 C
201
+ ATOM 200 C PHE A 25 5.853 37.794 -12.563 1.00 0.00 C
202
+ ATOM 201 CB PHE A 25 6.628 35.590 -13.465 1.00 0.00 C
203
+ ATOM 202 O PHE A 25 4.885 38.279 -13.152 1.00 0.00 O
204
+ ATOM 203 CG PHE A 25 7.109 34.203 -13.135 1.00 0.00 C
205
+ ATOM 204 CD1 PHE A 25 8.340 34.007 -12.523 1.00 0.00 C
206
+ ATOM 205 CD2 PHE A 25 6.328 33.095 -13.438 1.00 0.00 C
207
+ ATOM 206 CE1 PHE A 25 8.788 32.724 -12.217 1.00 0.00 C
208
+ ATOM 207 CE2 PHE A 25 6.769 31.810 -13.135 1.00 0.00 C
209
+ ATOM 208 CZ PHE A 25 8.000 31.626 -12.525 1.00 0.00 C
210
+ ATOM 209 N PRO A 26 6.846 38.523 -11.974 1.00 0.00 N
211
+ ATOM 210 CA PRO A 26 6.940 39.913 -12.426 1.00 0.00 C
212
+ ATOM 211 C PRO A 26 7.258 40.030 -13.915 1.00 0.00 C
213
+ ATOM 212 CB PRO A 26 8.078 40.484 -11.578 1.00 0.00 C
214
+ ATOM 213 O PRO A 26 7.820 39.102 -14.504 1.00 0.00 O
215
+ ATOM 214 CG PRO A 26 8.877 39.293 -11.159 1.00 0.00 C
216
+ ATOM 215 CD PRO A 26 7.977 38.091 -11.160 1.00 0.00 C
217
+ ATOM 216 N SER A 27 6.661 41.027 -14.639 1.00 0.00 N
218
+ ATOM 217 CA SER A 27 7.092 41.312 -16.004 1.00 0.00 C
219
+ ATOM 218 C SER A 27 8.594 41.571 -16.066 1.00 0.00 C
220
+ ATOM 219 CB SER A 27 6.335 42.516 -16.565 1.00 0.00 C
221
+ ATOM 220 O SER A 27 9.185 42.057 -15.101 1.00 0.00 O
222
+ ATOM 221 OG SER A 27 6.537 43.660 -15.754 1.00 0.00 O
223
+ ATOM 222 N GLU A 28 9.292 40.757 -16.952 1.00 0.00 N
224
+ ATOM 223 CA GLU A 28 10.692 41.020 -17.273 1.00 0.00 C
225
+ ATOM 224 C GLU A 28 11.571 39.817 -16.937 1.00 0.00 C
226
+ ATOM 225 CB GLU A 28 11.191 42.260 -16.528 1.00 0.00 C
227
+ ATOM 226 O GLU A 28 12.794 39.940 -16.854 1.00 0.00 O
228
+ ATOM 227 CG GLU A 28 10.483 43.546 -16.929 1.00 0.00 C
229
+ ATOM 228 CD GLU A 28 11.215 44.799 -16.479 1.00 0.00 C
230
+ ATOM 229 OE1 GLU A 28 12.229 44.684 -15.755 1.00 0.00 O
231
+ ATOM 230 OE2 GLU A 28 10.770 45.908 -16.854 1.00 0.00 O
232
+ ATOM 231 N LEU A 29 11.122 38.632 -16.916 1.00 0.00 N
233
+ ATOM 232 CA LEU A 29 12.056 37.573 -16.546 1.00 0.00 C
234
+ ATOM 233 C LEU A 29 12.333 36.655 -17.731 1.00 0.00 C
235
+ ATOM 234 CB LEU A 29 11.505 36.759 -15.372 1.00 0.00 C
236
+ ATOM 235 O LEU A 29 11.442 36.393 -18.542 1.00 0.00 O
237
+ ATOM 236 CG LEU A 29 11.424 37.479 -14.026 1.00 0.00 C
238
+ ATOM 237 CD1 LEU A 29 10.725 36.600 -12.995 1.00 0.00 C
239
+ ATOM 238 CD2 LEU A 29 12.818 37.870 -13.544 1.00 0.00 C
240
+ ATOM 239 N SER A 30 13.528 36.274 -17.928 1.00 0.00 N
241
+ ATOM 240 CA SER A 30 13.915 35.249 -18.892 1.00 0.00 C
242
+ ATOM 241 C SER A 30 13.423 33.871 -18.462 1.00 0.00 C
243
+ ATOM 242 CB SER A 30 15.434 35.225 -19.068 1.00 0.00 C
244
+ ATOM 243 O SER A 30 13.128 33.650 -17.286 1.00 0.00 O
245
+ ATOM 244 OG SER A 30 16.065 34.690 -17.917 1.00 0.00 O
246
+ ATOM 245 N ASP A 31 13.319 32.926 -19.375 1.00 0.00 N
247
+ ATOM 246 CA ASP A 31 12.893 31.562 -19.079 1.00 0.00 C
248
+ ATOM 247 C ASP A 31 13.812 30.912 -18.045 1.00 0.00 C
249
+ ATOM 248 CB ASP A 31 12.859 30.720 -20.356 1.00 0.00 C
250
+ ATOM 249 O ASP A 31 13.346 30.200 -17.154 1.00 0.00 O
251
+ ATOM 250 CG ASP A 31 11.698 31.075 -21.268 1.00 0.00 C
252
+ ATOM 251 OD1 ASP A 31 10.695 31.645 -20.787 1.00 0.00 O
253
+ ATOM 252 OD2 ASP A 31 11.785 30.777 -22.479 1.00 0.00 O
254
+ ATOM 253 N SER A 32 15.062 31.212 -18.249 1.00 0.00 N
255
+ ATOM 254 CA SER A 32 16.021 30.628 -17.318 1.00 0.00 C
256
+ ATOM 255 C SER A 32 15.822 31.170 -15.906 1.00 0.00 C
257
+ ATOM 256 CB SER A 32 17.453 30.903 -17.780 1.00 0.00 C
258
+ ATOM 257 O SER A 32 15.880 30.417 -14.933 1.00 0.00 O
259
+ ATOM 258 OG SER A 32 17.694 32.296 -17.874 1.00 0.00 O
260
+ ATOM 259 N ASP A 33 15.594 32.436 -15.806 1.00 0.00 N
261
+ ATOM 260 CA ASP A 33 15.337 33.051 -14.507 1.00 0.00 C
262
+ ATOM 261 C ASP A 33 14.054 32.504 -13.884 1.00 0.00 C
263
+ ATOM 262 CB ASP A 33 15.250 34.573 -14.642 1.00 0.00 C
264
+ ATOM 263 O ASP A 33 13.999 32.263 -12.677 1.00 0.00 O
265
+ ATOM 264 CG ASP A 33 16.598 35.225 -14.890 1.00 0.00 C
266
+ ATOM 265 OD1 ASP A 33 17.642 34.583 -14.641 1.00 0.00 O
267
+ ATOM 266 OD2 ASP A 33 16.618 36.393 -15.335 1.00 0.00 O
268
+ ATOM 267 N ARG A 34 13.087 32.253 -14.659 1.00 0.00 N
269
+ ATOM 268 CA ARG A 34 11.816 31.731 -14.168 1.00 0.00 C
270
+ ATOM 269 C ARG A 34 11.994 30.349 -13.547 1.00 0.00 C
271
+ ATOM 270 CB ARG A 34 10.786 31.670 -15.298 1.00 0.00 C
272
+ ATOM 271 O ARG A 34 11.415 30.053 -12.500 1.00 0.00 O
273
+ ATOM 272 CG ARG A 34 10.324 33.033 -15.785 1.00 0.00 C
274
+ ATOM 273 CD ARG A 34 9.229 32.916 -16.836 1.00 0.00 C
275
+ ATOM 274 NE ARG A 34 8.813 34.226 -17.329 1.00 0.00 N
276
+ ATOM 275 NH1 ARG A 34 6.871 33.464 -18.322 1.00 0.00 N
277
+ ATOM 276 NH2 ARG A 34 7.419 35.687 -18.424 1.00 0.00 N
278
+ ATOM 277 CZ ARG A 34 7.702 34.456 -18.024 1.00 0.00 C
279
+ ATOM 278 N GLN A 35 12.789 29.561 -14.235 1.00 0.00 N
280
+ ATOM 279 CA GLN A 35 13.027 28.213 -13.731 1.00 0.00 C
281
+ ATOM 280 C GLN A 35 13.741 28.248 -12.382 1.00 0.00 C
282
+ ATOM 281 CB GLN A 35 13.844 27.400 -14.737 1.00 0.00 C
283
+ ATOM 282 O GLN A 35 13.380 27.509 -11.464 1.00 0.00 O
284
+ ATOM 283 CG GLN A 35 14.042 25.945 -14.334 1.00 0.00 C
285
+ ATOM 284 CD GLN A 35 14.750 25.132 -15.402 1.00 0.00 C
286
+ ATOM 285 NE2 GLN A 35 15.021 23.867 -15.101 1.00 0.00 N
287
+ ATOM 286 OE1 GLN A 35 15.048 25.637 -16.490 1.00 0.00 O
288
+ ATOM 287 N ILE A 36 14.753 29.082 -12.296 1.00 0.00 N
289
+ ATOM 288 CA ILE A 36 15.517 29.211 -11.059 1.00 0.00 C
290
+ ATOM 289 C ILE A 36 14.604 29.699 -9.937 1.00 0.00 C
291
+ ATOM 290 CB ILE A 36 16.714 30.172 -11.233 1.00 0.00 C
292
+ ATOM 291 O ILE A 36 14.631 29.160 -8.828 1.00 0.00 O
293
+ ATOM 292 CG1 ILE A 36 17.773 29.546 -12.148 1.00 0.00 C
294
+ ATOM 293 CG2 ILE A 36 17.315 30.537 -9.873 1.00 0.00 C
295
+ ATOM 294 CD1 ILE A 36 18.854 30.519 -12.599 1.00 0.00 C
296
+ ATOM 295 N ILE A 37 13.755 30.667 -10.210 1.00 0.00 N
297
+ ATOM 296 CA ILE A 37 12.856 31.248 -9.219 1.00 0.00 C
298
+ ATOM 297 C ILE A 37 11.828 30.207 -8.782 1.00 0.00 C
299
+ ATOM 298 CB ILE A 37 12.144 32.504 -9.770 1.00 0.00 C
300
+ ATOM 299 O ILE A 37 11.528 30.083 -7.592 1.00 0.00 O
301
+ ATOM 300 CG1 ILE A 37 13.143 33.655 -9.936 1.00 0.00 C
302
+ ATOM 301 CG2 ILE A 37 10.986 32.914 -8.856 1.00 0.00 C
303
+ ATOM 302 CD1 ILE A 37 12.590 34.851 -10.697 1.00 0.00 C
304
+ ATOM 303 N ASN A 38 11.340 29.431 -9.673 1.00 0.00 N
305
+ ATOM 304 CA ASN A 38 10.387 28.378 -9.336 1.00 0.00 C
306
+ ATOM 305 C ASN A 38 11.003 27.347 -8.393 1.00 0.00 C
307
+ ATOM 306 CB ASN A 38 9.870 27.697 -10.604 1.00 0.00 C
308
+ ATOM 307 O ASN A 38 10.342 26.876 -7.467 1.00 0.00 O
309
+ ATOM 308 CG ASN A 38 8.765 28.485 -11.280 1.00 0.00 C
310
+ ATOM 309 ND2 ASN A 38 8.629 28.312 -12.591 1.00 0.00 N
311
+ ATOM 310 OD1 ASN A 38 8.040 29.244 -10.632 1.00 0.00 O
312
+ ATOM 311 N GLU A 39 12.223 27.043 -8.701 1.00 0.00 N
313
+ ATOM 312 CA GLU A 39 12.903 26.086 -7.834 1.00 0.00 C
314
+ ATOM 313 C GLU A 39 13.061 26.636 -6.421 1.00 0.00 C
315
+ ATOM 314 CB GLU A 39 14.271 25.715 -8.411 1.00 0.00 C
316
+ ATOM 315 O GLU A 39 12.816 25.928 -5.442 1.00 0.00 O
317
+ ATOM 316 CG GLU A 39 14.200 24.833 -9.649 1.00 0.00 C
318
+ ATOM 317 CD GLU A 39 15.552 24.608 -10.306 1.00 0.00 C
319
+ ATOM 318 OE1 GLU A 39 16.580 25.052 -9.746 1.00 0.00 O
320
+ ATOM 319 OE2 GLU A 39 15.584 23.986 -11.391 1.00 0.00 O
321
+ ATOM 320 N LYS A 40 13.402 27.888 -6.348 1.00 0.00 N
322
+ ATOM 321 CA LYS A 40 13.559 28.540 -5.051 1.00 0.00 C
323
+ ATOM 322 C LYS A 40 12.222 28.641 -4.321 1.00 0.00 C
324
+ ATOM 323 CB LYS A 40 14.171 29.932 -5.219 1.00 0.00 C
325
+ ATOM 324 O LYS A 40 12.147 28.394 -3.115 1.00 0.00 O
326
+ ATOM 325 CG LYS A 40 15.633 29.918 -5.637 1.00 0.00 C
327
+ ATOM 326 CD LYS A 40 16.188 31.330 -5.778 1.00 0.00 C
328
+ ATOM 327 CE LYS A 40 17.662 31.318 -6.158 1.00 0.00 C
329
+ ATOM 328 NZ LYS A 40 18.220 32.700 -6.256 1.00 0.00 N
330
+ ATOM 329 N MET A 41 11.218 29.005 -5.117 1.00 0.00 N
331
+ ATOM 330 CA MET A 41 9.884 29.132 -4.536 1.00 0.00 C
332
+ ATOM 331 C MET A 41 9.410 27.800 -3.965 1.00 0.00 C
333
+ ATOM 332 CB MET A 41 8.888 29.636 -5.581 1.00 0.00 C
334
+ ATOM 333 O MET A 41 8.795 27.761 -2.897 1.00 0.00 O
335
+ ATOM 334 CG MET A 41 9.071 31.100 -5.948 1.00 0.00 C
336
+ ATOM 335 SD MET A 41 8.767 32.224 -4.529 1.00 0.00 S
337
+ ATOM 336 CE MET A 41 6.958 32.141 -4.438 1.00 0.00 C
338
+ ATOM 337 N GLN A 42 9.736 26.732 -4.637 1.00 0.00 N
339
+ ATOM 338 CA GLN A 42 9.346 25.415 -4.145 1.00 0.00 C
340
+ ATOM 339 C GLN A 42 10.087 25.066 -2.859 1.00 0.00 C
341
+ ATOM 340 CB GLN A 42 9.605 24.346 -5.208 1.00 0.00 C
342
+ ATOM 341 O GLN A 42 9.501 24.500 -1.932 1.00 0.00 O
343
+ ATOM 342 CG GLN A 42 8.976 22.997 -4.890 1.00 0.00 C
344
+ ATOM 343 CD GLN A 42 7.473 23.080 -4.698 1.00 0.00 C
345
+ ATOM 344 NE2 GLN A 42 6.981 22.498 -3.610 1.00 0.00 N
346
+ ATOM 345 OE1 GLN A 42 6.761 23.664 -5.520 1.00 0.00 O
347
+ ATOM 346 N LEU A 43 11.364 25.400 -2.795 1.00 0.00 N
348
+ ATOM 347 CA LEU A 43 12.145 25.163 -1.586 1.00 0.00 C
349
+ ATOM 348 C LEU A 43 11.590 25.966 -0.414 1.00 0.00 C
350
+ ATOM 349 CB LEU A 43 13.614 25.525 -1.818 1.00 0.00 C
351
+ ATOM 350 O LEU A 43 11.478 25.448 0.699 1.00 0.00 O
352
+ ATOM 351 CG LEU A 43 14.416 24.568 -2.702 1.00 0.00 C
353
+ ATOM 352 CD1 LEU A 43 15.757 25.192 -3.078 1.00 0.00 C
354
+ ATOM 353 CD2 LEU A 43 14.622 23.233 -1.996 1.00 0.00 C
355
+ ATOM 354 N LEU A 44 11.254 27.198 -0.672 1.00 0.00 N
356
+ ATOM 355 CA LEU A 44 10.675 28.040 0.369 1.00 0.00 C
357
+ ATOM 356 C LEU A 44 9.353 27.463 0.862 1.00 0.00 C
358
+ ATOM 357 CB LEU A 44 10.462 29.464 -0.152 1.00 0.00 C
359
+ ATOM 358 O LEU A 44 9.093 27.439 2.067 1.00 0.00 O
360
+ ATOM 359 CG LEU A 44 11.725 30.289 -0.409 1.00 0.00 C
361
+ ATOM 360 CD1 LEU A 44 11.369 31.602 -1.098 1.00 0.00 C
362
+ ATOM 361 CD2 LEU A 44 12.468 30.549 0.898 1.00 0.00 C
363
+ ATOM 362 N LYS A 45 8.536 27.045 -0.064 1.00 0.00 N
364
+ ATOM 363 CA LYS A 45 7.270 26.419 0.303 1.00 0.00 C
365
+ ATOM 364 C LYS A 45 7.493 25.233 1.238 1.00 0.00 C
366
+ ATOM 365 CB LYS A 45 6.512 25.965 -0.946 1.00 0.00 C
367
+ ATOM 366 O LYS A 45 6.794 25.087 2.242 1.00 0.00 O
368
+ ATOM 367 CG LYS A 45 5.109 25.450 -0.666 1.00 0.00 C
369
+ ATOM 368 CD LYS A 45 4.369 25.115 -1.955 1.00 0.00 C
370
+ ATOM 369 CE LYS A 45 2.972 24.577 -1.676 1.00 0.00 C
371
+ ATOM 370 NZ LYS A 45 2.218 24.311 -2.937 1.00 0.00 N
372
+ ATOM 371 N ASP A 46 8.492 24.417 0.919 1.00 0.00 N
373
+ ATOM 372 CA ASP A 46 8.786 23.242 1.735 1.00 0.00 C
374
+ ATOM 373 C ASP A 46 9.273 23.647 3.124 1.00 0.00 C
375
+ ATOM 374 CB ASP A 46 9.830 22.359 1.048 1.00 0.00 C
376
+ ATOM 375 O ASP A 46 8.889 23.037 4.124 1.00 0.00 O
377
+ ATOM 376 CG ASP A 46 9.275 21.605 -0.147 1.00 0.00 C
378
+ ATOM 377 OD1 ASP A 46 8.038 21.561 -0.320 1.00 0.00 O
379
+ ATOM 378 OD2 ASP A 46 10.083 21.047 -0.922 1.00 0.00 O
380
+ ATOM 379 N ILE A 47 10.049 24.670 3.204 1.00 0.00 N
381
+ ATOM 380 CA ILE A 47 10.585 25.118 4.485 1.00 0.00 C
382
+ ATOM 381 C ILE A 47 9.455 25.672 5.351 1.00 0.00 C
383
+ ATOM 382 CB ILE A 47 11.687 26.184 4.296 1.00 0.00 C
384
+ ATOM 383 O ILE A 47 9.345 25.331 6.531 1.00 0.00 O
385
+ ATOM 384 CG1 ILE A 47 12.964 25.539 3.745 1.00 0.00 C
386
+ ATOM 385 CG2 ILE A 47 11.965 26.913 5.613 1.00 0.00 C
387
+ ATOM 386 CD1 ILE A 47 13.999 26.541 3.250 1.00 0.00 C
388
+ ATOM 387 N PHE A 48 8.619 26.454 4.836 1.00 0.00 N
389
+ ATOM 388 CA PHE A 48 7.529 27.023 5.620 1.00 0.00 C
390
+ ATOM 389 C PHE A 48 6.551 25.938 6.054 1.00 0.00 C
391
+ ATOM 390 CB PHE A 48 6.795 28.101 4.819 1.00 0.00 C
392
+ ATOM 391 O PHE A 48 6.093 25.930 7.200 1.00 0.00 O
393
+ ATOM 392 CG PHE A 48 7.385 29.478 4.970 1.00 0.00 C
394
+ ATOM 393 CD1 PHE A 48 7.056 30.275 6.060 1.00 0.00 C
395
+ ATOM 394 CD2 PHE A 48 8.269 29.974 4.022 1.00 0.00 C
396
+ ATOM 395 CE1 PHE A 48 7.601 31.548 6.203 1.00 0.00 C
397
+ ATOM 396 CE2 PHE A 48 8.818 31.247 4.158 1.00 0.00 C
398
+ ATOM 397 CZ PHE A 48 8.481 32.032 5.248 1.00 0.00 C
399
+ ATOM 398 N ALA A 49 6.252 25.055 5.159 1.00 0.00 N
400
+ ATOM 399 CA ALA A 49 5.247 24.034 5.443 1.00 0.00 C
401
+ ATOM 400 C ALA A 49 5.784 22.992 6.420 1.00 0.00 C
402
+ ATOM 401 CB ALA A 49 4.791 23.362 4.150 1.00 0.00 C
403
+ ATOM 402 O ALA A 49 5.106 22.629 7.384 1.00 0.00 O
404
+ ATOM 403 N ASN A 50 7.056 22.547 6.239 1.00 0.00 N
405
+ ATOM 404 CA ASN A 50 7.525 21.352 6.932 1.00 0.00 C
406
+ ATOM 405 C ASN A 50 8.448 21.705 8.095 1.00 0.00 C
407
+ ATOM 406 CB ASN A 50 8.234 20.409 5.959 1.00 0.00 C
408
+ ATOM 407 O ASN A 50 8.499 20.987 9.094 1.00 0.00 O
409
+ ATOM 408 CG ASN A 50 7.309 19.876 4.884 1.00 0.00 C
410
+ ATOM 409 ND2 ASN A 50 7.784 19.867 3.643 1.00 0.00 N
411
+ ATOM 410 OD1 ASN A 50 6.175 19.477 5.164 1.00 0.00 O
412
+ ATOM 411 N ASN A 51 9.132 22.741 7.918 1.00 0.00 N
413
+ ATOM 412 CA ASN A 51 10.104 23.075 8.953 1.00 0.00 C
414
+ ATOM 413 C ASN A 51 9.580 24.164 9.883 1.00 0.00 C
415
+ ATOM 414 CB ASN A 51 11.431 23.506 8.325 1.00 0.00 C
416
+ ATOM 415 O ASN A 51 9.687 24.048 11.106 1.00 0.00 O
417
+ ATOM 416 CG ASN A 51 12.083 22.399 7.520 1.00 0.00 C
418
+ ATOM 417 ND2 ASN A 51 12.730 21.466 8.208 1.00 0.00 N
419
+ ATOM 418 OD1 ASN A 51 12.007 22.384 6.289 1.00 0.00 O
420
+ ATOM 419 N LEU A 52 8.942 25.149 9.307 1.00 0.00 N
421
+ ATOM 420 CA LEU A 52 8.452 26.260 10.115 1.00 0.00 C
422
+ ATOM 421 C LEU A 52 6.997 26.039 10.517 1.00 0.00 C
423
+ ATOM 422 CB LEU A 52 8.587 27.579 9.349 1.00 0.00 C
424
+ ATOM 423 O LEU A 52 6.454 26.788 11.331 1.00 0.00 O
425
+ ATOM 424 CG LEU A 52 10.010 28.020 9.003 1.00 0.00 C
426
+ ATOM 425 CD1 LEU A 52 9.983 29.314 8.199 1.00 0.00 C
427
+ ATOM 426 CD2 LEU A 52 10.841 28.187 10.270 1.00 0.00 C
428
+ ATOM 427 N LYS A 53 6.333 25.074 9.897 1.00 0.00 N
429
+ ATOM 428 CA LYS A 53 4.988 24.612 10.223 1.00 0.00 C
430
+ ATOM 429 C LYS A 53 3.964 25.728 10.033 1.00 0.00 C
431
+ ATOM 430 CB LYS A 53 4.932 24.088 11.658 1.00 0.00 C
432
+ ATOM 431 O LYS A 53 2.969 25.795 10.760 1.00 0.00 O
433
+ ATOM 432 CG LYS A 53 5.916 22.963 11.945 1.00 0.00 C
434
+ ATOM 433 CD LYS A 53 5.582 21.712 11.143 1.00 0.00 C
435
+ ATOM 434 CE LYS A 53 6.522 20.562 11.482 1.00 0.00 C
436
+ ATOM 435 NZ LYS A 53 6.345 19.409 10.549 1.00 0.00 N
437
+ ATOM 436 N SER A 54 4.261 26.602 9.150 1.00 0.00 N
438
+ ATOM 437 CA SER A 54 3.297 27.633 8.781 1.00 0.00 C
439
+ ATOM 438 C SER A 54 2.169 27.057 7.930 1.00 0.00 C
440
+ ATOM 439 CB SER A 54 3.988 28.768 8.025 1.00 0.00 C
441
+ ATOM 440 O SER A 54 2.352 26.043 7.253 1.00 0.00 O
442
+ ATOM 441 OG SER A 54 4.977 29.382 8.835 1.00 0.00 O
443
+ ATOM 442 N ALA A 55 1.029 27.690 8.006 1.00 0.00 N
444
+ ATOM 443 CA ALA A 55 -0.070 27.320 7.118 1.00 0.00 C
445
+ ATOM 444 C ALA A 55 0.132 27.904 5.722 1.00 0.00 C
446
+ ATOM 445 CB ALA A 55 -1.403 27.786 7.699 1.00 0.00 C
447
+ ATOM 446 O ALA A 55 0.317 29.114 5.570 1.00 0.00 O
448
+ ATOM 447 N ILE A 56 0.137 27.039 4.780 1.00 0.00 N
449
+ ATOM 448 CA ILE A 56 0.267 27.470 3.393 1.00 0.00 C
450
+ ATOM 449 C ILE A 56 -1.117 27.674 2.783 1.00 0.00 C
451
+ ATOM 450 CB ILE A 56 1.076 26.452 2.559 1.00 0.00 C
452
+ ATOM 451 O ILE A 56 -1.960 26.775 2.828 1.00 0.00 O
453
+ ATOM 452 CG1 ILE A 56 2.456 26.224 3.186 1.00 0.00 C
454
+ ATOM 453 CG2 ILE A 56 1.206 26.924 1.107 1.00 0.00 C
455
+ ATOM 454 CD1 ILE A 56 3.331 27.468 3.229 1.00 0.00 C
456
+ ATOM 455 N SER A 57 -1.332 28.813 2.287 1.00 0.00 N
457
+ ATOM 456 CA SER A 57 -2.631 29.160 1.718 1.00 0.00 C
458
+ ATOM 457 C SER A 57 -2.499 29.585 0.259 1.00 0.00 C
459
+ ATOM 458 CB SER A 57 -3.290 30.278 2.527 1.00 0.00 C
460
+ ATOM 459 O SER A 57 -1.501 30.196 -0.126 1.00 0.00 O
461
+ ATOM 460 OG SER A 57 -4.510 30.679 1.927 1.00 0.00 O
462
+ ATOM 461 N ASN A 58 -3.544 29.268 -0.543 1.00 0.00 N
463
+ ATOM 462 CA ASN A 58 -3.624 29.750 -1.918 1.00 0.00 C
464
+ ATOM 463 C ASN A 58 -4.359 31.084 -2.002 1.00 0.00 C
465
+ ATOM 464 CB ASN A 58 -4.306 28.710 -2.812 1.00 0.00 C
466
+ ATOM 465 O ASN A 58 -4.499 31.654 -3.086 1.00 0.00 O
467
+ ATOM 466 CG ASN A 58 -3.477 27.454 -2.984 1.00 0.00 C
468
+ ATOM 467 ND2 ASN A 58 -4.147 26.320 -3.151 1.00 0.00 N
469
+ ATOM 468 OD1 ASN A 58 -2.244 27.501 -2.963 1.00 0.00 O
470
+ ATOM 469 N ASN A 59 -4.889 31.473 -0.935 1.00 0.00 N
471
+ ATOM 470 CA ASN A 59 -5.588 32.753 -0.896 1.00 0.00 C
472
+ ATOM 471 C ASN A 59 -4.724 33.845 -0.273 1.00 0.00 C
473
+ ATOM 472 CB ASN A 59 -6.908 32.621 -0.132 1.00 0.00 C
474
+ ATOM 473 O ASN A 59 -4.716 34.017 0.947 1.00 0.00 O
475
+ ATOM 474 CG ASN A 59 -7.789 33.847 -0.272 1.00 0.00 C
476
+ ATOM 475 ND2 ASN A 59 -9.024 33.748 0.206 1.00 0.00 N
477
+ ATOM 476 OD1 ASN A 59 -7.364 34.875 -0.806 1.00 0.00 O
478
+ ATOM 477 N PHE A 60 -4.042 34.676 -1.178 1.00 0.00 N
479
+ ATOM 478 CA PHE A 60 -3.096 35.665 -0.677 1.00 0.00 C
480
+ ATOM 479 C PHE A 60 -3.824 36.805 0.025 1.00 0.00 C
481
+ ATOM 480 CB PHE A 60 -2.237 36.217 -1.820 1.00 0.00 C
482
+ ATOM 481 O PHE A 60 -3.253 37.476 0.887 1.00 0.00 O
483
+ ATOM 482 CG PHE A 60 -3.029 36.911 -2.894 1.00 0.00 C
484
+ ATOM 483 CD1 PHE A 60 -3.352 36.253 -4.075 1.00 0.00 C
485
+ ATOM 484 CD2 PHE A 60 -3.451 38.223 -2.723 1.00 0.00 C
486
+ ATOM 485 CE1 PHE A 60 -4.084 36.894 -5.071 1.00 0.00 C
487
+ ATOM 486 CE2 PHE A 60 -4.185 38.869 -3.714 1.00 0.00 C
488
+ ATOM 487 CZ PHE A 60 -4.499 38.204 -4.888 1.00 0.00 C
489
+ ATOM 488 N ARG A 61 -5.117 37.013 -0.181 1.00 0.00 N
490
+ ATOM 489 CA ARG A 61 -5.846 38.109 0.450 1.00 0.00 C
491
+ ATOM 490 C ARG A 61 -6.064 37.838 1.935 1.00 0.00 C
492
+ ATOM 491 CB ARG A 61 -7.191 38.331 -0.245 1.00 0.00 C
493
+ ATOM 492 O ARG A 61 -6.277 38.767 2.716 1.00 0.00 O
494
+ ATOM 493 CG ARG A 61 -7.070 38.873 -1.660 1.00 0.00 C
495
+ ATOM 494 CD ARG A 61 -8.436 39.102 -2.294 1.00 0.00 C
496
+ ATOM 495 NE ARG A 61 -8.320 39.699 -3.621 1.00 0.00 N
497
+ ATOM 496 NH1 ARG A 61 -8.879 41.834 -2.939 1.00 0.00 N
498
+ ATOM 497 NH2 ARG A 61 -8.400 41.419 -5.141 1.00 0.00 N
499
+ ATOM 498 CZ ARG A 61 -8.534 40.983 -3.897 1.00 0.00 C
500
+ ATOM 499 N GLU A 62 -5.916 36.600 2.333 1.00 0.00 N
501
+ ATOM 500 CA GLU A 62 -6.173 36.215 3.717 1.00 0.00 C
502
+ ATOM 501 C GLU A 62 -4.888 35.779 4.416 1.00 0.00 C
503
+ ATOM 502 CB GLU A 62 -7.211 35.094 3.781 1.00 0.00 C
504
+ ATOM 503 O GLU A 62 -4.920 35.325 5.562 1.00 0.00 O
505
+ ATOM 504 CG GLU A 62 -8.597 35.510 3.306 1.00 0.00 C
506
+ ATOM 505 CD GLU A 62 -9.609 34.376 3.341 1.00 0.00 C
507
+ ATOM 506 OE1 GLU A 62 -9.248 33.253 3.760 1.00 0.00 O
508
+ ATOM 507 OE2 GLU A 62 -10.772 34.613 2.946 1.00 0.00 O
509
+ ATOM 508 N SER A 63 -3.835 35.917 3.724 1.00 0.00 N
510
+ ATOM 509 CA SER A 63 -2.572 35.434 4.272 1.00 0.00 C
511
+ ATOM 510 C SER A 63 -1.828 36.544 5.007 1.00 0.00 C
512
+ ATOM 511 CB SER A 63 -1.689 34.865 3.162 1.00 0.00 C
513
+ ATOM 512 O SER A 63 -1.978 37.723 4.678 1.00 0.00 O
514
+ ATOM 513 OG SER A 63 -2.244 33.671 2.639 1.00 0.00 O
515
+ ATOM 514 N ASP A 64 -0.995 36.188 6.030 1.00 0.00 N
516
+ ATOM 515 CA ASP A 64 -0.191 37.122 6.813 1.00 0.00 C
517
+ ATOM 516 C ASP A 64 1.069 37.533 6.055 1.00 0.00 C
518
+ ATOM 517 CB ASP A 64 0.184 36.506 8.163 1.00 0.00 C
519
+ ATOM 518 O ASP A 64 1.492 38.689 6.124 1.00 0.00 O
520
+ ATOM 519 CG ASP A 64 -1.023 36.214 9.038 1.00 0.00 C
521
+ ATOM 520 OD1 ASP A 64 -1.854 37.122 9.253 1.00 0.00 O
522
+ ATOM 521 OD2 ASP A 64 -1.141 35.068 9.520 1.00 0.00 O
523
+ ATOM 522 N ILE A 65 1.586 36.574 5.329 1.00 0.00 N
524
+ ATOM 523 CA ILE A 65 2.771 36.807 4.511 1.00 0.00 C
525
+ ATOM 524 C ILE A 65 2.513 36.334 3.083 1.00 0.00 C
526
+ ATOM 525 CB ILE A 65 4.011 36.096 5.096 1.00 0.00 C
527
+ ATOM 526 O ILE A 65 1.982 35.240 2.871 1.00 0.00 O
528
+ ATOM 527 CG1 ILE A 65 4.349 36.662 6.479 1.00 0.00 C
529
+ ATOM 528 CG2 ILE A 65 5.205 36.223 4.145 1.00 0.00 C
530
+ ATOM 529 CD1 ILE A 65 5.500 35.951 7.176 1.00 0.00 C
531
+ ATOM 530 N ILE A 66 2.861 37.197 2.171 1.00 0.00 N
532
+ ATOM 531 CA ILE A 66 2.707 36.902 0.750 1.00 0.00 C
533
+ ATOM 532 C ILE A 66 4.075 36.917 0.071 1.00 0.00 C
534
+ ATOM 533 CB ILE A 66 1.756 37.907 0.063 1.00 0.00 C
535
+ ATOM 534 O ILE A 66 4.719 37.965 -0.019 1.00 0.00 O
536
+ ATOM 535 CG1 ILE A 66 0.411 37.957 0.798 1.00 0.00 C
537
+ ATOM 536 CG2 ILE A 66 1.562 37.545 -1.411 1.00 0.00 C
538
+ ATOM 537 CD1 ILE A 66 -0.440 39.170 0.450 1.00 0.00 C
539
+ ATOM 538 N ILE A 67 4.517 35.866 -0.330 1.00 0.00 N
540
+ ATOM 539 CA ILE A 67 5.830 35.749 -0.955 1.00 0.00 C
541
+ ATOM 540 C ILE A 67 5.692 35.865 -2.471 1.00 0.00 C
542
+ ATOM 541 CB ILE A 67 6.519 34.418 -0.580 1.00 0.00 C
543
+ ATOM 542 O ILE A 67 4.964 35.090 -3.095 1.00 0.00 O
544
+ ATOM 543 CG1 ILE A 67 6.648 34.295 0.943 1.00 0.00 C
545
+ ATOM 544 CG2 ILE A 67 7.889 34.310 -1.255 1.00 0.00 C
546
+ ATOM 545 CD1 ILE A 67 7.137 32.933 1.415 1.00 0.00 C
547
+ ATOM 546 N LEU A 68 6.441 36.772 -3.018 1.00 0.00 N
548
+ ATOM 547 CA LEU A 68 6.384 37.088 -4.441 1.00 0.00 C
549
+ ATOM 548 C LEU A 68 7.625 36.575 -5.162 1.00 0.00 C
550
+ ATOM 549 CB LEU A 68 6.246 38.599 -4.651 1.00 0.00 C
551
+ ATOM 550 O LEU A 68 8.685 36.420 -4.549 1.00 0.00 O
552
+ ATOM 551 CG LEU A 68 5.124 39.291 -3.875 1.00 0.00 C
553
+ ATOM 552 CD1 LEU A 68 5.171 40.798 -4.106 1.00 0.00 C
554
+ ATOM 553 CD2 LEU A 68 3.767 38.725 -4.279 1.00 0.00 C
555
+ ATOM 554 N LYS A 69 7.527 36.383 -6.454 1.00 0.00 N
556
+ ATOM 555 CA LYS A 69 8.644 35.924 -7.275 1.00 0.00 C
557
+ ATOM 556 C LYS A 69 9.540 37.090 -7.683 1.00 0.00 C
558
+ ATOM 557 CB LYS A 69 8.133 35.195 -8.518 1.00 0.00 C
559
+ ATOM 558 O LYS A 69 10.506 36.906 -8.427 1.00 0.00 O
560
+ ATOM 559 CG LYS A 69 7.560 33.815 -8.234 1.00 0.00 C
561
+ ATOM 560 CD LYS A 69 7.148 33.106 -9.518 1.00 0.00 C
562
+ ATOM 561 CE LYS A 69 6.656 31.691 -9.242 1.00 0.00 C
563
+ ATOM 562 NZ LYS A 69 6.098 31.050 -10.471 1.00 0.00 N
564
+ ATOM 563 N GLY A 70 9.308 38.267 -7.206 1.00 0.00 N
565
+ ATOM 564 CA GLY A 70 10.055 39.497 -7.418 1.00 0.00 C
566
+ ATOM 565 C GLY A 70 9.583 40.641 -6.540 1.00 0.00 C
567
+ ATOM 566 O GLY A 70 8.752 40.446 -5.650 1.00 0.00 O
568
+ ATOM 567 N GLU A 71 10.165 41.819 -6.769 1.00 0.00 N
569
+ ATOM 568 CA GLU A 71 9.696 43.003 -6.055 1.00 0.00 C
570
+ ATOM 569 C GLU A 71 8.319 43.435 -6.548 1.00 0.00 C
571
+ ATOM 570 CB GLU A 71 10.694 44.152 -6.205 1.00 0.00 C
572
+ ATOM 571 O GLU A 71 8.009 43.304 -7.735 1.00 0.00 O
573
+ ATOM 572 CG GLU A 71 12.090 43.828 -5.692 1.00 0.00 C
574
+ ATOM 573 CD GLU A 71 12.130 43.557 -4.197 1.00 0.00 C
575
+ ATOM 574 OE1 GLU A 71 11.324 44.155 -3.449 1.00 0.00 O
576
+ ATOM 575 OE2 GLU A 71 12.977 42.740 -3.769 1.00 0.00 O
577
+ ATOM 576 N ILE A 72 7.532 43.921 -5.622 1.00 0.00 N
578
+ ATOM 577 CA ILE A 72 6.151 44.280 -5.924 1.00 0.00 C
579
+ ATOM 578 C ILE A 72 6.121 45.310 -7.050 1.00 0.00 C
580
+ ATOM 579 CB ILE A 72 5.424 44.827 -4.675 1.00 0.00 C
581
+ ATOM 580 O ILE A 72 5.229 45.283 -7.902 1.00 0.00 O
582
+ ATOM 581 CG1 ILE A 72 3.938 45.052 -4.980 1.00 0.00 C
583
+ ATOM 582 CG2 ILE A 72 6.084 46.121 -4.189 1.00 0.00 C
584
+ ATOM 583 CD1 ILE A 72 3.198 43.795 -5.416 1.00 0.00 C
585
+ ATOM 584 N GLU A 73 7.158 46.142 -7.212 1.00 0.00 N
586
+ ATOM 585 CA GLU A 73 7.232 47.203 -8.210 1.00 0.00 C
587
+ ATOM 586 C GLU A 73 7.427 46.630 -9.611 1.00 0.00 C
588
+ ATOM 587 CB GLU A 73 8.366 48.177 -7.879 1.00 0.00 C
589
+ ATOM 588 O GLU A 73 7.146 47.300 -10.607 1.00 0.00 O
590
+ ATOM 589 CG GLU A 73 8.104 49.026 -6.643 1.00 0.00 C
591
+ ATOM 590 CD GLU A 73 8.296 48.267 -5.341 1.00 0.00 C
592
+ ATOM 591 OE1 GLU A 73 8.952 47.201 -5.350 1.00 0.00 O
593
+ ATOM 592 OE2 GLU A 73 7.784 48.741 -4.302 1.00 0.00 O
594
+ ATOM 593 N ASP A 74 7.861 45.463 -9.683 1.00 0.00 N
595
+ ATOM 594 CA ASP A 74 8.154 44.847 -10.974 1.00 0.00 C
596
+ ATOM 595 C ASP A 74 6.902 44.215 -11.578 1.00 0.00 C
597
+ ATOM 596 CB ASP A 74 9.257 43.796 -10.829 1.00 0.00 C
598
+ ATOM 597 O ASP A 74 6.920 43.761 -12.724 1.00 0.00 O
599
+ ATOM 598 CG ASP A 74 10.584 44.386 -10.388 1.00 0.00 C
600
+ ATOM 599 OD1 ASP A 74 10.873 45.554 -10.722 1.00 0.00 O
601
+ ATOM 600 OD2 ASP A 74 11.350 43.674 -9.702 1.00 0.00 O
602
+ ATOM 601 N TYR A 75 5.846 44.080 -10.832 1.00 0.00 N
603
+ ATOM 602 CA TYR A 75 4.604 43.517 -11.348 1.00 0.00 C
604
+ ATOM 603 C TYR A 75 3.803 44.567 -12.108 1.00 0.00 C
605
+ ATOM 604 CB TYR A 75 3.759 42.942 -10.205 1.00 0.00 C
606
+ ATOM 605 O TYR A 75 3.790 45.741 -11.730 1.00 0.00 O
607
+ ATOM 606 CG TYR A 75 4.266 41.621 -9.681 1.00 0.00 C
608
+ ATOM 607 CD1 TYR A 75 3.672 40.421 -10.068 1.00 0.00 C
609
+ ATOM 608 CD2 TYR A 75 5.339 41.568 -8.798 1.00 0.00 C
610
+ ATOM 609 CE1 TYR A 75 4.134 39.201 -9.587 1.00 0.00 C
611
+ ATOM 610 CE2 TYR A 75 5.810 40.353 -8.310 1.00 0.00 C
612
+ ATOM 611 OH TYR A 75 5.664 37.972 -8.230 1.00 0.00 O
613
+ ATOM 612 CZ TYR A 75 5.202 39.177 -8.710 1.00 0.00 C
614
+ ATOM 613 N PRO A 76 3.162 44.162 -13.217 1.00 0.00 N
615
+ ATOM 614 CA PRO A 76 2.327 45.134 -13.926 1.00 0.00 C
616
+ ATOM 615 C PRO A 76 1.123 45.590 -13.104 1.00 0.00 C
617
+ ATOM 616 CB PRO A 76 1.878 44.370 -15.174 1.00 0.00 C
618
+ ATOM 617 O PRO A 76 0.636 44.843 -12.251 1.00 0.00 O
619
+ ATOM 618 CG PRO A 76 1.924 42.930 -14.777 1.00 0.00 C
620
+ ATOM 619 CD PRO A 76 3.040 42.742 -13.791 1.00 0.00 C
621
+ ATOM 620 N MET A 77 0.655 46.779 -13.433 1.00 0.00 N
622
+ ATOM 621 CA MET A 77 -0.442 47.387 -12.686 1.00 0.00 C
623
+ ATOM 622 C MET A 77 -1.708 46.545 -12.797 1.00 0.00 C
624
+ ATOM 623 CB MET A 77 -0.713 48.806 -13.188 1.00 0.00 C
625
+ ATOM 624 O MET A 77 -2.576 46.604 -11.924 1.00 0.00 O
626
+ ATOM 625 CG MET A 77 0.374 49.804 -12.821 1.00 0.00 C
627
+ ATOM 626 SD MET A 77 0.573 49.992 -11.006 1.00 0.00 S
628
+ ATOM 627 CE MET A 77 -0.966 50.863 -10.604 1.00 0.00 C
629
+ ATOM 628 N SER A 78 -1.792 45.669 -13.840 1.00 0.00 N
630
+ ATOM 629 CA SER A 78 -2.975 44.851 -14.090 1.00 0.00 C
631
+ ATOM 630 C SER A 78 -2.919 43.545 -13.306 1.00 0.00 C
632
+ ATOM 631 CB SER A 78 -3.115 44.553 -15.583 1.00 0.00 C
633
+ ATOM 632 O SER A 78 -3.898 42.797 -13.265 1.00 0.00 O
634
+ ATOM 633 OG SER A 78 -1.979 43.855 -16.066 1.00 0.00 O
635
+ ATOM 634 N SER A 79 -1.768 43.327 -12.690 1.00 0.00 N
636
+ ATOM 635 CA SER A 79 -1.606 42.108 -11.903 1.00 0.00 C
637
+ ATOM 636 C SER A 79 -2.512 42.119 -10.676 1.00 0.00 C
638
+ ATOM 637 CB SER A 79 -0.149 41.938 -11.470 1.00 0.00 C
639
+ ATOM 638 O SER A 79 -2.659 43.150 -10.016 1.00 0.00 O
640
+ ATOM 639 OG SER A 79 -0.025 40.893 -10.523 1.00 0.00 O
641
+ ATOM 640 N GLU A 80 -3.162 41.002 -10.399 1.00 0.00 N
642
+ ATOM 641 CA GLU A 80 -4.048 40.880 -9.247 1.00 0.00 C
643
+ ATOM 642 C GLU A 80 -3.320 41.222 -7.950 1.00 0.00 C
644
+ ATOM 643 CB GLU A 80 -4.634 39.469 -9.164 1.00 0.00 C
645
+ ATOM 644 O GLU A 80 -3.884 41.872 -7.067 1.00 0.00 O
646
+ ATOM 645 CG GLU A 80 -5.762 39.327 -8.153 1.00 0.00 C
647
+ ATOM 646 CD GLU A 80 -6.317 37.914 -8.066 1.00 0.00 C
648
+ ATOM 647 OE1 GLU A 80 -5.836 37.028 -8.807 1.00 0.00 O
649
+ ATOM 648 OE2 GLU A 80 -7.241 37.694 -7.252 1.00 0.00 O
650
+ ATOM 649 N ILE A 81 -2.068 40.797 -7.806 1.00 0.00 N
651
+ ATOM 650 CA ILE A 81 -1.299 41.032 -6.588 1.00 0.00 C
652
+ ATOM 651 C ILE A 81 -0.978 42.520 -6.461 1.00 0.00 C
653
+ ATOM 652 CB ILE A 81 0.002 40.198 -6.572 1.00 0.00 C
654
+ ATOM 653 O ILE A 81 -1.014 43.077 -5.361 1.00 0.00 O
655
+ ATOM 654 CG1 ILE A 81 0.620 40.203 -5.170 1.00 0.00 C
656
+ ATOM 655 CG2 ILE A 81 0.995 40.728 -7.610 1.00 0.00 C
657
+ ATOM 656 CD1 ILE A 81 -0.296 39.650 -4.087 1.00 0.00 C
658
+ ATOM 657 N LYS A 82 -0.672 43.169 -7.691 1.00 0.00 N
659
+ ATOM 658 CA LYS A 82 -0.399 44.603 -7.683 1.00 0.00 C
660
+ ATOM 659 C LYS A 82 -1.657 45.400 -7.348 1.00 0.00 C
661
+ ATOM 660 CB LYS A 82 0.161 45.051 -9.033 1.00 0.00 C
662
+ ATOM 661 O LYS A 82 -1.598 46.374 -6.596 1.00 0.00 O
663
+ ATOM 662 CG LYS A 82 0.662 46.488 -9.050 1.00 0.00 C
664
+ ATOM 663 CD LYS A 82 2.015 46.616 -8.359 1.00 0.00 C
665
+ ATOM 664 CE LYS A 82 2.622 47.996 -8.570 1.00 0.00 C
666
+ ATOM 665 NZ LYS A 82 4.099 47.990 -8.346 1.00 0.00 N
667
+ ATOM 666 N ILE A 83 -2.733 44.950 -7.814 1.00 0.00 N
668
+ ATOM 667 CA ILE A 83 -4.015 45.576 -7.504 1.00 0.00 C
669
+ ATOM 668 C ILE A 83 -4.308 45.441 -6.012 1.00 0.00 C
670
+ ATOM 669 CB ILE A 83 -5.161 44.954 -8.334 1.00 0.00 C
671
+ ATOM 670 O ILE A 83 -4.687 46.415 -5.357 1.00 0.00 O
672
+ ATOM 671 CG1 ILE A 83 -5.020 45.338 -9.811 1.00 0.00 C
673
+ ATOM 672 CG2 ILE A 83 -6.522 45.388 -7.782 1.00 0.00 C
674
+ ATOM 673 CD1 ILE A 83 -5.944 44.566 -10.743 1.00 0.00 C
675
+ ATOM 674 N TYR A 84 -4.133 44.270 -5.419 1.00 0.00 N
676
+ ATOM 675 CA TYR A 84 -4.363 44.023 -4.000 1.00 0.00 C
677
+ ATOM 676 C TYR A 84 -3.436 44.873 -3.141 1.00 0.00 C
678
+ ATOM 677 CB TYR A 84 -4.162 42.539 -3.674 1.00 0.00 C
679
+ ATOM 678 O TYR A 84 -3.870 45.473 -2.154 1.00 0.00 O
680
+ ATOM 679 CG TYR A 84 -4.351 42.209 -2.213 1.00 0.00 C
681
+ ATOM 680 CD1 TYR A 84 -5.493 42.621 -1.527 1.00 0.00 C
682
+ ATOM 681 CD2 TYR A 84 -3.390 41.485 -1.516 1.00 0.00 C
683
+ ATOM 682 CE1 TYR A 84 -5.669 42.321 -0.181 1.00 0.00 C
684
+ ATOM 683 CE2 TYR A 84 -3.557 41.178 -0.170 1.00 0.00 C
685
+ ATOM 684 OH TYR A 84 -4.869 41.298 1.821 1.00 0.00 O
686
+ ATOM 685 CZ TYR A 84 -4.698 41.599 0.488 1.00 0.00 C
687
+ ATOM 686 N TYR A 85 -2.191 44.862 -3.557 1.00 0.00 N
688
+ ATOM 687 CA TYR A 85 -1.210 45.689 -2.865 1.00 0.00 C
689
+ ATOM 688 C TYR A 85 -1.675 47.138 -2.788 1.00 0.00 C
690
+ ATOM 689 CB TYR A 85 0.149 45.613 -3.568 1.00 0.00 C
691
+ ATOM 690 O TYR A 85 -1.596 47.766 -1.730 1.00 0.00 O
692
+ ATOM 691 CG TYR A 85 1.172 46.578 -3.016 1.00 0.00 C
693
+ ATOM 692 CD1 TYR A 85 1.853 46.301 -1.834 1.00 0.00 C
694
+ ATOM 693 CD2 TYR A 85 1.458 47.768 -3.678 1.00 0.00 C
695
+ ATOM 694 CE1 TYR A 85 2.794 47.187 -1.321 1.00 0.00 C
696
+ ATOM 695 CE2 TYR A 85 2.397 48.661 -3.175 1.00 0.00 C
697
+ ATOM 696 OH TYR A 85 3.991 49.244 -1.495 1.00 0.00 O
698
+ ATOM 697 CZ TYR A 85 3.059 48.363 -1.998 1.00 0.00 C
699
+ ATOM 698 N ASN A 86 -2.229 47.722 -3.809 1.00 0.00 N
700
+ ATOM 699 CA ASN A 86 -2.636 49.120 -3.891 1.00 0.00 C
701
+ ATOM 700 C ASN A 86 -3.912 49.381 -3.096 1.00 0.00 C
702
+ ATOM 701 CB ASN A 86 -2.825 49.540 -5.351 1.00 0.00 C
703
+ ATOM 702 O ASN A 86 -4.198 50.521 -2.730 1.00 0.00 O
704
+ ATOM 703 CG ASN A 86 -1.513 49.652 -6.101 1.00 0.00 C
705
+ ATOM 704 ND2 ASN A 86 -1.547 49.378 -7.400 1.00 0.00 N
706
+ ATOM 705 OD1 ASN A 86 -0.477 49.982 -5.518 1.00 0.00 O
707
+ ATOM 706 N GLU A 87 -4.638 48.353 -2.803 1.00 0.00 N
708
+ ATOM 707 CA GLU A 87 -5.856 48.463 -2.005 1.00 0.00 C
709
+ ATOM 708 C GLU A 87 -5.534 48.568 -0.517 1.00 0.00 C
710
+ ATOM 709 CB GLU A 87 -6.777 47.268 -2.262 1.00 0.00 C
711
+ ATOM 710 O GLU A 87 -6.327 49.104 0.259 1.00 0.00 O
712
+ ATOM 711 CG GLU A 87 -7.378 47.244 -3.660 1.00 0.00 C
713
+ ATOM 712 CD GLU A 87 -8.144 45.966 -3.961 1.00 0.00 C
714
+ ATOM 713 OE1 GLU A 87 -8.132 45.038 -3.120 1.00 0.00 O
715
+ ATOM 714 OE2 GLU A 87 -8.760 45.890 -5.048 1.00 0.00 O
716
+ ATOM 715 N LEU A 88 -4.394 48.037 -0.154 1.00 0.00 N
717
+ ATOM 716 CA LEU A 88 -4.069 47.962 1.266 1.00 0.00 C
718
+ ATOM 717 C LEU A 88 -3.480 49.280 1.759 1.00 0.00 C
719
+ ATOM 718 CB LEU A 88 -3.085 46.819 1.532 1.00 0.00 C
720
+ ATOM 719 O LEU A 88 -2.756 49.955 1.025 1.00 0.00 O
721
+ ATOM 720 CG LEU A 88 -3.612 45.403 1.294 1.00 0.00 C
722
+ ATOM 721 CD1 LEU A 88 -2.497 44.382 1.499 1.00 0.00 C
723
+ ATOM 722 CD2 LEU A 88 -4.790 45.109 2.216 1.00 0.00 C
724
+ ATOM 723 N GLN A 89 -3.987 49.841 2.971 1.00 0.00 N
725
+ ATOM 724 CA GLN A 89 -3.499 51.058 3.611 1.00 0.00 C
726
+ ATOM 725 C GLN A 89 -2.124 50.839 4.235 1.00 0.00 C
727
+ ATOM 726 CB GLN A 89 -4.489 51.539 4.674 1.00 0.00 C
728
+ ATOM 727 O GLN A 89 -1.236 51.683 4.105 1.00 0.00 O
729
+ ATOM 728 CG GLN A 89 -5.813 52.030 4.105 1.00 0.00 C
730
+ ATOM 729 CD GLN A 89 -6.698 52.676 5.154 1.00 0.00 C
731
+ ATOM 730 NE2 GLN A 89 -7.798 53.276 4.714 1.00 0.00 N
732
+ ATOM 731 OE1 GLN A 89 -6.396 52.637 6.351 1.00 0.00 O
733
+ ATOM 732 N ASN A 90 -1.934 49.701 4.855 1.00 0.00 N
734
+ ATOM 733 CA ASN A 90 -0.690 49.311 5.509 1.00 0.00 C
735
+ ATOM 734 C ASN A 90 0.024 48.201 4.740 1.00 0.00 C
736
+ ATOM 735 CB ASN A 90 -0.955 48.871 6.951 1.00 0.00 C
737
+ ATOM 736 O ASN A 90 -0.175 47.019 5.022 1.00 0.00 O
738
+ ATOM 737 CG ASN A 90 -1.323 50.030 7.856 1.00 0.00 C
739
+ ATOM 738 ND2 ASN A 90 -2.121 49.753 8.880 1.00 0.00 N
740
+ ATOM 739 OD1 ASN A 90 -0.894 51.167 7.635 1.00 0.00 O
741
+ ATOM 740 N LYS A 91 0.606 48.549 3.606 1.00 0.00 N
742
+ ATOM 741 CA LYS A 91 1.000 47.842 2.391 1.00 0.00 C
743
+ ATOM 742 C LYS A 91 2.160 46.889 2.660 1.00 0.00 C
744
+ ATOM 743 CB LYS A 91 1.382 48.835 1.292 1.00 0.00 C
745
+ ATOM 744 O LYS A 91 2.157 45.751 2.188 1.00 0.00 O
746
+ ATOM 745 CG LYS A 91 0.225 49.694 0.804 1.00 0.00 C
747
+ ATOM 746 CD LYS A 91 0.654 50.617 -0.331 1.00 0.00 C
748
+ ATOM 747 CE LYS A 91 -0.501 51.485 -0.813 1.00 0.00 C
749
+ ATOM 748 NZ LYS A 91 -0.096 52.360 -1.953 1.00 0.00 N
750
+ ATOM 749 N LYS A 92 3.276 47.340 3.389 1.00 0.00 N
751
+ ATOM 750 CA LYS A 92 4.622 46.846 3.112 1.00 0.00 C
752
+ ATOM 751 C LYS A 92 4.899 45.552 3.873 1.00 0.00 C
753
+ ATOM 752 CB LYS A 92 5.667 47.901 3.475 1.00 0.00 C
754
+ ATOM 753 O LYS A 92 5.647 44.694 3.399 1.00 0.00 O
755
+ ATOM 754 CG LYS A 92 5.829 48.997 2.431 1.00 0.00 C
756
+ ATOM 755 CD LYS A 92 6.991 49.923 2.768 1.00 0.00 C
757
+ ATOM 756 CE LYS A 92 7.154 51.018 1.723 1.00 0.00 C
758
+ ATOM 757 NZ LYS A 92 8.304 51.918 2.039 1.00 0.00 N
759
+ ATOM 758 N ALA A 93 4.258 45.324 5.077 1.00 0.00 N
760
+ ATOM 759 CA ALA A 93 4.882 44.302 5.913 1.00 0.00 C
761
+ ATOM 760 C ALA A 93 4.505 42.902 5.441 1.00 0.00 C
762
+ ATOM 761 CB ALA A 93 4.484 44.493 7.375 1.00 0.00 C
763
+ ATOM 762 O ALA A 93 5.243 41.940 5.674 1.00 0.00 O
764
+ ATOM 763 N ARG A 94 3.538 42.727 4.553 1.00 0.00 N
765
+ ATOM 764 CA ARG A 94 3.071 41.380 4.242 1.00 0.00 C
766
+ ATOM 765 C ARG A 94 3.709 40.862 2.957 1.00 0.00 C
767
+ ATOM 766 CB ARG A 94 1.546 41.354 4.117 1.00 0.00 C
768
+ ATOM 767 O ARG A 94 3.737 39.654 2.715 1.00 0.00 O
769
+ ATOM 768 CG ARG A 94 0.816 41.632 5.422 1.00 0.00 C
770
+ ATOM 769 CD ARG A 94 -0.692 41.690 5.222 1.00 0.00 C
771
+ ATOM 770 NE ARG A 94 -1.250 40.372 4.940 1.00 0.00 N
772
+ ATOM 771 NH1 ARG A 94 -3.317 41.162 4.274 1.00 0.00 N
773
+ ATOM 772 NH2 ARG A 94 -2.891 38.909 4.272 1.00 0.00 N
774
+ ATOM 773 CZ ARG A 94 -2.485 40.151 4.495 1.00 0.00 C
775
+ ATOM 774 N PHE A 95 4.207 41.755 2.215 1.00 0.00 N
776
+ ATOM 775 CA PHE A 95 4.682 41.367 0.893 1.00 0.00 C
777
+ ATOM 776 C PHE A 95 6.193 41.162 0.900 1.00 0.00 C
778
+ ATOM 777 CB PHE A 95 4.301 42.423 -0.149 1.00 0.00 C
779
+ ATOM 778 O PHE A 95 6.952 42.104 1.141 1.00 0.00 O
780
+ ATOM 779 CG PHE A 95 2.816 42.574 -0.345 1.00 0.00 C
781
+ ATOM 780 CD1 PHE A 95 2.163 41.898 -1.367 1.00 0.00 C
782
+ ATOM 781 CD2 PHE A 95 2.073 43.393 0.497 1.00 0.00 C
783
+ ATOM 782 CE1 PHE A 95 0.789 42.037 -1.551 1.00 0.00 C
784
+ ATOM 783 CE2 PHE A 95 0.700 43.536 0.320 1.00 0.00 C
785
+ ATOM 784 CZ PHE A 95 0.060 42.858 -0.705 1.00 0.00 C
786
+ ATOM 785 N TRP A 96 6.599 39.968 0.723 1.00 0.00 N
787
+ ATOM 786 CA TRP A 96 8.013 39.609 0.716 1.00 0.00 C
788
+ ATOM 787 C TRP A 96 8.446 39.128 -0.665 1.00 0.00 C
789
+ ATOM 788 CB TRP A 96 8.299 38.526 1.759 1.00 0.00 C
790
+ ATOM 789 O TRP A 96 7.771 38.299 -1.281 1.00 0.00 O
791
+ ATOM 790 CG TRP A 96 8.087 38.973 3.175 1.00 0.00 C
792
+ ATOM 791 CD1 TRP A 96 7.404 40.081 3.596 1.00 0.00 C
793
+ ATOM 792 CD2 TRP A 96 8.568 38.325 4.357 1.00 0.00 C
794
+ ATOM 793 CE2 TRP A 96 8.138 39.094 5.460 1.00 0.00 C
795
+ ATOM 794 CE3 TRP A 96 9.320 37.165 4.590 1.00 0.00 C
796
+ ATOM 795 NE1 TRP A 96 7.431 40.159 4.969 1.00 0.00 N
797
+ ATOM 796 CH2 TRP A 96 9.174 37.603 6.978 1.00 0.00 C
798
+ ATOM 797 CZ2 TRP A 96 8.436 38.741 6.778 1.00 0.00 C
799
+ ATOM 798 CZ3 TRP A 96 9.616 36.816 5.902 1.00 0.00 C
800
+ ATOM 799 N SER A 97 9.574 39.683 -1.157 1.00 0.00 N
801
+ ATOM 800 CA SER A 97 10.176 39.048 -2.326 1.00 0.00 C
802
+ ATOM 801 C SER A 97 10.797 37.702 -1.964 1.00 0.00 C
803
+ ATOM 802 CB SER A 97 11.238 39.959 -2.943 1.00 0.00 C
804
+ ATOM 803 O SER A 97 11.074 37.435 -0.793 1.00 0.00 O
805
+ ATOM 804 OG SER A 97 12.376 40.047 -2.104 1.00 0.00 O
806
+ ATOM 805 N PHE A 98 10.974 36.870 -2.961 1.00 0.00 N
807
+ ATOM 806 CA PHE A 98 11.610 35.579 -2.727 1.00 0.00 C
808
+ ATOM 807 C PHE A 98 13.007 35.761 -2.146 1.00 0.00 C
809
+ ATOM 808 CB PHE A 98 11.684 34.771 -4.027 1.00 0.00 C
810
+ ATOM 809 O PHE A 98 13.443 34.971 -1.306 1.00 0.00 O
811
+ ATOM 810 CG PHE A 98 12.848 35.141 -4.907 1.00 0.00 C
812
+ ATOM 811 CD1 PHE A 98 12.707 36.101 -5.901 1.00 0.00 C
813
+ ATOM 812 CD2 PHE A 98 14.082 34.530 -4.738 1.00 0.00 C
814
+ ATOM 813 CE1 PHE A 98 13.782 36.446 -6.718 1.00 0.00 C
815
+ ATOM 814 CE2 PHE A 98 15.162 34.869 -5.549 1.00 0.00 C
816
+ ATOM 815 CZ PHE A 98 15.009 35.826 -6.539 1.00 0.00 C
817
+ ATOM 816 N MET A 99 13.733 36.825 -2.580 1.00 0.00 N
818
+ ATOM 817 CA MET A 99 15.078 37.096 -2.082 1.00 0.00 C
819
+ ATOM 818 C MET A 99 15.050 37.449 -0.599 1.00 0.00 C
820
+ ATOM 819 CB MET A 99 15.728 38.231 -2.877 1.00 0.00 C
821
+ ATOM 820 O MET A 99 15.873 36.959 0.176 1.00 0.00 O
822
+ ATOM 821 CG MET A 99 16.095 37.849 -4.302 1.00 0.00 C
823
+ ATOM 822 SD MET A 99 17.315 36.480 -4.371 1.00 0.00 S
824
+ ATOM 823 CE MET A 99 18.759 37.302 -3.642 1.00 0.00 C
825
+ ATOM 824 N LYS A 100 14.076 38.299 -0.259 1.00 0.00 N
826
+ ATOM 825 CA LYS A 100 13.923 38.640 1.152 1.00 0.00 C
827
+ ATOM 826 C LYS A 100 13.581 37.406 1.982 1.00 0.00 C
828
+ ATOM 827 CB LYS A 100 12.842 39.707 1.333 1.00 0.00 C
829
+ ATOM 828 O LYS A 100 14.113 37.223 3.079 1.00 0.00 O
830
+ ATOM 829 CG LYS A 100 12.627 40.133 2.777 1.00 0.00 C
831
+ ATOM 830 CD LYS A 100 11.598 41.252 2.883 1.00 0.00 C
832
+ ATOM 831 CE LYS A 100 11.337 41.637 4.334 1.00 0.00 C
833
+ ATOM 832 NZ LYS A 100 10.333 42.737 4.442 1.00 0.00 N
834
+ ATOM 833 N THR A 101 12.777 36.631 1.486 1.00 0.00 N
835
+ ATOM 834 CA THR A 101 12.357 35.418 2.179 1.00 0.00 C
836
+ ATOM 835 C THR A 101 13.527 34.451 2.337 1.00 0.00 C
837
+ ATOM 836 CB THR A 101 11.208 34.717 1.431 1.00 0.00 C
838
+ ATOM 837 O THR A 101 13.692 33.835 3.392 1.00 0.00 O
839
+ ATOM 838 CG2 THR A 101 10.657 33.547 2.240 1.00 0.00 C
840
+ ATOM 839 OG1 THR A 101 10.153 35.660 1.197 1.00 0.00 O
841
+ ATOM 840 N GLN A 102 14.357 34.326 1.332 1.00 0.00 N
842
+ ATOM 841 CA GLN A 102 15.542 33.477 1.405 1.00 0.00 C
843
+ ATOM 842 C GLN A 102 16.479 33.937 2.519 1.00 0.00 C
844
+ ATOM 843 CB GLN A 102 16.281 33.470 0.066 1.00 0.00 C
845
+ ATOM 844 O GLN A 102 17.004 33.115 3.273 1.00 0.00 O
846
+ ATOM 845 CG GLN A 102 17.445 32.489 0.011 1.00 0.00 C
847
+ ATOM 846 CD GLN A 102 18.114 32.450 -1.349 1.00 0.00 C
848
+ ATOM 847 NE2 GLN A 102 19.440 32.549 -1.360 1.00 0.00 N
849
+ ATOM 848 OE1 GLN A 102 17.448 32.332 -2.381 1.00 0.00 O
850
+ ATOM 849 N ARG A 103 16.646 35.200 2.570 1.00 0.00 N
851
+ ATOM 850 CA ARG A 103 17.493 35.740 3.627 1.00 0.00 C
852
+ ATOM 851 C ARG A 103 16.907 35.443 5.004 1.00 0.00 C
853
+ ATOM 852 CB ARG A 103 17.677 37.249 3.452 1.00 0.00 C
854
+ ATOM 853 O ARG A 103 17.637 35.086 5.931 1.00 0.00 O
855
+ ATOM 854 CG ARG A 103 18.585 37.627 2.292 1.00 0.00 C
856
+ ATOM 855 CD ARG A 103 18.738 39.136 2.164 1.00 0.00 C
857
+ ATOM 856 NE ARG A 103 19.407 39.507 0.921 1.00 0.00 N
858
+ ATOM 857 NH1 ARG A 103 18.990 41.770 1.128 1.00 0.00 N
859
+ ATOM 858 NH2 ARG A 103 20.142 40.974 -0.686 1.00 0.00 N
860
+ ATOM 859 CZ ARG A 103 19.511 40.749 0.457 1.00 0.00 C
861
+ ATOM 860 N PHE A 104 15.632 35.579 5.083 1.00 0.00 N
862
+ ATOM 861 CA PHE A 104 14.950 35.321 6.345 1.00 0.00 C
863
+ ATOM 862 C PHE A 104 15.146 33.873 6.781 1.00 0.00 C
864
+ ATOM 863 CB PHE A 104 13.455 35.636 6.225 1.00 0.00 C
865
+ ATOM 864 O PHE A 104 15.527 33.609 7.922 1.00 0.00 O
866
+ ATOM 865 CG PHE A 104 12.649 35.219 7.424 1.00 0.00 C
867
+ ATOM 866 CD1 PHE A 104 12.648 35.989 8.581 1.00 0.00 C
868
+ ATOM 867 CD2 PHE A 104 11.891 34.056 7.395 1.00 0.00 C
869
+ ATOM 868 CE1 PHE A 104 11.903 35.604 9.694 1.00 0.00 C
870
+ ATOM 869 CE2 PHE A 104 11.142 33.667 8.502 1.00 0.00 C
871
+ ATOM 870 CZ PHE A 104 11.150 34.441 9.650 1.00 0.00 C
872
+ ATOM 871 N VAL A 105 14.884 32.924 5.928 1.00 0.00 N
873
+ ATOM 872 CA VAL A 105 14.939 31.518 6.314 1.00 0.00 C
874
+ ATOM 873 C VAL A 105 16.387 31.112 6.583 1.00 0.00 C
875
+ ATOM 874 CB VAL A 105 14.323 30.606 5.230 1.00 0.00 C
876
+ ATOM 875 O VAL A 105 16.651 30.257 7.431 1.00 0.00 O
877
+ ATOM 876 CG1 VAL A 105 12.835 30.904 5.057 1.00 0.00 C
878
+ ATOM 877 CG2 VAL A 105 15.063 30.779 3.905 1.00 0.00 C
879
+ ATOM 878 N SER A 106 17.329 31.718 5.862 1.00 0.00 N
880
+ ATOM 879 CA SER A 106 18.739 31.464 6.138 1.00 0.00 C
881
+ ATOM 880 C SER A 106 19.123 31.933 7.537 1.00 0.00 C
882
+ ATOM 881 CB SER A 106 19.621 32.159 5.099 1.00 0.00 C
883
+ ATOM 882 O SER A 106 19.844 31.237 8.255 1.00 0.00 O
884
+ ATOM 883 OG SER A 106 19.468 31.557 3.825 1.00 0.00 O
885
+ ATOM 884 N ASN A 107 18.604 33.031 7.893 1.00 0.00 N
886
+ ATOM 885 CA ASN A 107 18.860 33.550 9.232 1.00 0.00 C
887
+ ATOM 886 C ASN A 107 18.242 32.659 10.306 1.00 0.00 C
888
+ ATOM 887 CB ASN A 107 18.335 34.982 9.363 1.00 0.00 C
889
+ ATOM 888 O ASN A 107 18.701 32.649 11.449 1.00 0.00 O
890
+ ATOM 889 CG ASN A 107 19.198 35.989 8.627 1.00 0.00 C
891
+ ATOM 890 ND2 ASN A 107 18.612 37.130 8.281 1.00 0.00 N
892
+ ATOM 891 OD1 ASN A 107 20.379 35.743 8.371 1.00 0.00 O
893
+ ATOM 892 N MET A 108 17.222 31.932 9.928 1.00 0.00 N
894
+ ATOM 893 CA MET A 108 16.560 31.014 10.851 1.00 0.00 C
895
+ ATOM 894 C MET A 108 17.273 29.667 10.885 1.00 0.00 C
896
+ ATOM 895 CB MET A 108 15.094 30.820 10.458 1.00 0.00 C
897
+ ATOM 896 O MET A 108 16.861 28.760 11.610 1.00 0.00 O
898
+ ATOM 897 CG MET A 108 14.237 32.060 10.653 1.00 0.00 C
899
+ ATOM 898 SD MET A 108 14.104 32.552 12.416 1.00 0.00 S
900
+ ATOM 899 CE MET A 108 13.022 31.233 13.035 1.00 0.00 C
901
+ ATOM 900 N GLY A 109 18.276 29.507 10.013 1.00 0.00 N
902
+ ATOM 901 CA GLY A 109 19.087 28.300 10.031 1.00 0.00 C
903
+ ATOM 902 C GLY A 109 18.731 27.325 8.924 1.00 0.00 C
904
+ ATOM 903 O GLY A 109 19.124 26.157 8.967 1.00 0.00 O
905
+ ATOM 904 N PHE A 110 17.912 27.775 8.019 1.00 0.00 N
906
+ ATOM 905 CA PHE A 110 17.534 26.917 6.903 1.00 0.00 C
907
+ ATOM 906 C PHE A 110 18.196 27.385 5.613 1.00 0.00 C
908
+ ATOM 907 CB PHE A 110 16.012 26.894 6.734 1.00 0.00 C
909
+ ATOM 908 O PHE A 110 17.964 28.509 5.161 1.00 0.00 O
910
+ ATOM 909 CG PHE A 110 15.272 26.415 7.955 1.00 0.00 C
911
+ ATOM 910 CD1 PHE A 110 15.146 25.057 8.219 1.00 0.00 C
912
+ ATOM 911 CD2 PHE A 110 14.705 27.324 8.838 1.00 0.00 C
913
+ ATOM 912 CE1 PHE A 110 14.462 24.611 9.348 1.00 0.00 C
914
+ ATOM 913 CE2 PHE A 110 14.020 26.886 9.967 1.00 0.00 C
915
+ ATOM 914 CZ PHE A 110 13.898 25.529 10.221 1.00 0.00 C
916
+ ATOM 915 N ASP A 111 19.154 26.574 5.065 1.00 0.00 N
917
+ ATOM 916 CA ASP A 111 19.882 26.949 3.857 1.00 0.00 C
918
+ ATOM 917 C ASP A 111 19.091 26.585 2.603 1.00 0.00 C
919
+ ATOM 918 CB ASP A 111 21.256 26.276 3.827 1.00 0.00 C
920
+ ATOM 919 O ASP A 111 18.466 25.524 2.544 1.00 0.00 O
921
+ ATOM 920 CG ASP A 111 22.218 26.846 4.855 1.00 0.00 C
922
+ ATOM 921 OD1 ASP A 111 22.096 28.038 5.209 1.00 0.00 O
923
+ ATOM 922 OD2 ASP A 111 23.109 26.097 5.311 1.00 0.00 O
924
+ ATOM 923 N ILE A 112 19.065 27.468 1.644 1.00 0.00 N
925
+ ATOM 924 CA ILE A 112 18.450 27.221 0.345 1.00 0.00 C
926
+ ATOM 925 C ILE A 112 19.507 27.320 -0.753 1.00 0.00 C
927
+ ATOM 926 CB ILE A 112 17.295 28.208 0.067 1.00 0.00 C
928
+ ATOM 927 O ILE A 112 20.390 28.179 -0.698 1.00 0.00 O
929
+ ATOM 928 CG1 ILE A 112 16.257 28.146 1.194 1.00 0.00 C
930
+ ATOM 929 CG2 ILE A 112 16.648 27.916 -1.289 1.00 0.00 C
931
+ ATOM 930 CD1 ILE A 112 15.229 29.267 1.151 1.00 0.00 C
932
+ ATOM 931 OXT ILE A 112 18.963 26.377 -1.274 1.00 0.00 O
933
+ TER 932 ILE A 112
934
+ END
6qtm/6qtm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtm/6qtm_rdkit_ligand.pdb ADDED
@@ -0,0 +1,204 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qtm_ligand
2
+ HETATM 1 N1 UNL 1 8.076 -2.699 3.894 1.00 0.00 N1+
3
+ HETATM 2 C1 UNL 1 9.215 -2.266 3.129 1.00 0.00 C
4
+ HETATM 3 C2 UNL 1 8.783 -1.467 1.953 1.00 0.00 C
5
+ HETATM 4 O1 UNL 1 7.564 -1.210 1.839 1.00 0.00 O
6
+ HETATM 5 C3 UNL 1 10.095 -3.428 2.804 1.00 0.00 C
7
+ HETATM 6 O2 UNL 1 9.457 -4.406 2.071 1.00 0.00 O
8
+ HETATM 7 N2 UNL 1 9.720 -1.005 0.978 1.00 0.00 N
9
+ HETATM 8 C4 UNL 1 9.365 -0.224 -0.163 1.00 0.00 C
10
+ HETATM 9 C5 UNL 1 8.471 0.934 0.119 1.00 0.00 C
11
+ HETATM 10 O3 UNL 1 8.096 1.207 1.316 1.00 0.00 O
12
+ HETATM 11 C6 UNL 1 9.015 -0.983 -1.395 1.00 0.00 C
13
+ HETATM 12 C7 UNL 1 10.110 -1.845 -1.946 1.00 0.00 C
14
+ HETATM 13 C8 UNL 1 11.344 -1.041 -2.312 1.00 0.00 C
15
+ HETATM 14 C9 UNL 1 10.411 -2.994 -1.045 1.00 0.00 C
16
+ HETATM 15 N3 UNL 1 8.004 1.786 -0.902 1.00 0.00 N
17
+ HETATM 16 C10 UNL 1 7.155 2.927 -0.687 1.00 0.00 C
18
+ HETATM 17 C11 UNL 1 5.834 2.658 -1.289 1.00 0.00 C
19
+ HETATM 18 O4 UNL 1 5.090 3.676 -1.507 1.00 0.00 O
20
+ HETATM 19 C12 UNL 1 7.756 4.197 -1.246 1.00 0.00 C
21
+ HETATM 20 C13 UNL 1 9.042 4.476 -0.604 1.00 0.00 C
22
+ HETATM 21 O5 UNL 1 9.591 3.708 0.393 1.00 0.00 O
23
+ HETATM 22 O6 UNL 1 9.711 5.489 -0.981 1.00 0.00 O
24
+ HETATM 23 N4 UNL 1 5.303 1.397 -1.650 1.00 0.00 N
25
+ HETATM 24 C14 UNL 1 3.985 1.355 -2.280 1.00 0.00 C
26
+ HETATM 25 C15 UNL 1 2.973 1.602 -1.205 1.00 0.00 C
27
+ HETATM 26 O7 UNL 1 1.776 1.714 -1.679 1.00 0.00 O
28
+ HETATM 27 C16 UNL 1 3.741 0.112 -3.048 1.00 0.00 C
29
+ HETATM 28 O8 UNL 1 2.482 0.157 -3.620 1.00 0.00 O
30
+ HETATM 29 N5 UNL 1 3.211 1.710 0.138 1.00 0.00 N
31
+ HETATM 30 C17 UNL 1 2.239 1.953 1.172 1.00 0.00 C
32
+ HETATM 31 C18 UNL 1 2.392 3.240 1.888 1.00 0.00 C
33
+ HETATM 32 O9 UNL 1 1.412 3.428 2.876 1.00 0.00 O
34
+ HETATM 33 C19 UNL 1 0.818 1.694 0.727 1.00 0.00 C
35
+ HETATM 34 O10 UNL 1 0.011 2.618 0.899 1.00 0.00 O
36
+ HETATM 35 P1 UNL 1 1.386 5.071 3.340 1.00 0.00 P
37
+ HETATM 36 O11 UNL 1 0.699 5.810 2.201 1.00 0.00 O
38
+ HETATM 37 O12 UNL 1 0.452 5.244 4.728 1.00 0.00 O
39
+ HETATM 38 O13 UNL 1 2.952 5.654 3.579 1.00 0.00 O
40
+ HETATM 39 N6 UNL 1 0.430 0.474 0.154 1.00 0.00 N
41
+ HETATM 40 C20 UNL 1 -0.767 -0.024 -0.448 1.00 0.00 C
42
+ HETATM 41 C21 UNL 1 -1.982 0.767 -0.314 1.00 0.00 C
43
+ HETATM 42 O14 UNL 1 -2.276 1.548 0.622 1.00 0.00 O
44
+ HETATM 43 C22 UNL 1 -1.022 -1.290 0.419 1.00 0.00 C
45
+ HETATM 44 C23 UNL 1 0.360 -1.840 0.557 1.00 0.00 C
46
+ HETATM 45 C24 UNL 1 1.321 -0.719 0.146 1.00 0.00 C
47
+ HETATM 46 N7 UNL 1 -2.992 0.675 -1.348 1.00 0.00 N
48
+ HETATM 47 C25 UNL 1 -4.250 1.322 -1.406 1.00 0.00 C
49
+ HETATM 48 C26 UNL 1 -5.160 1.037 -0.254 1.00 0.00 C
50
+ HETATM 49 O15 UNL 1 -4.716 0.480 0.785 1.00 0.00 O
51
+ HETATM 50 C27 UNL 1 -4.882 1.023 -2.712 1.00 0.00 C
52
+ HETATM 51 C28 UNL 1 -3.760 0.516 -3.576 1.00 0.00 C
53
+ HETATM 52 C29 UNL 1 -2.805 -0.115 -2.540 1.00 0.00 C
54
+ HETATM 53 N8 UNL 1 -6.512 1.390 -0.335 1.00 0.00 N
55
+ HETATM 54 C30 UNL 1 -7.483 1.157 0.743 1.00 0.00 C
56
+ HETATM 55 C31 UNL 1 -8.221 -0.093 0.465 1.00 0.00 C
57
+ HETATM 56 O16 UNL 1 -7.991 -0.716 -0.620 1.00 0.00 O
58
+ HETATM 57 C32 UNL 1 -8.369 2.338 0.785 1.00 0.00 C
59
+ HETATM 58 C33 UNL 1 -9.436 2.402 1.766 1.00 0.00 C
60
+ HETATM 59 O17 UNL 1 -10.595 1.999 1.362 1.00 0.00 O
61
+ HETATM 60 N9 UNL 1 -9.329 2.849 3.085 1.00 0.00 N
62
+ HETATM 61 N10 UNL 1 -9.194 -0.705 1.313 1.00 0.00 N
63
+ HETATM 62 C34 UNL 1 -9.833 -1.946 0.955 1.00 0.00 C
64
+ HETATM 63 C35 UNL 1 -11.175 -1.789 0.317 1.00 0.00 C
65
+ HETATM 64 O18 UNL 1 -11.646 -0.645 0.191 1.00 0.00 O
66
+ HETATM 65 C36 UNL 1 -9.866 -2.946 2.071 1.00 0.00 C
67
+ HETATM 66 O19 UNL 1 -10.563 -2.422 3.174 1.00 0.00 O
68
+ HETATM 67 C37 UNL 1 -8.462 -3.246 2.511 1.00 0.00 C
69
+ HETATM 68 N11 UNL 1 -11.909 -2.893 -0.140 1.00 0.00 N
70
+ HETATM 69 C38 UNL 1 -13.195 -2.908 -0.763 1.00 0.00 C
71
+ HETATM 70 C39 UNL 1 -14.208 -3.628 0.011 1.00 0.00 C
72
+ HETATM 71 O20 UNL 1 -13.869 -4.174 1.250 1.00 0.00 O
73
+ HETATM 72 C40 UNL 1 -13.118 -3.478 -2.186 1.00 0.00 C
74
+ HETATM 73 O21 UNL 1 -12.277 -2.713 -2.982 1.00 0.00 O
75
+ HETATM 74 O22 UNL 1 -15.387 -3.785 -0.384 1.00 0.00 O
76
+ HETATM 75 H1 UNL 1 7.314 -2.006 3.785 1.00 0.00 H
77
+ HETATM 76 H2 UNL 1 8.378 -2.860 4.871 1.00 0.00 H
78
+ HETATM 77 H3 UNL 1 7.719 -3.642 3.555 1.00 0.00 H
79
+ HETATM 78 H4 UNL 1 9.804 -1.578 3.780 1.00 0.00 H
80
+ HETATM 79 H5 UNL 1 10.387 -3.883 3.788 1.00 0.00 H
81
+ HETATM 80 H6 UNL 1 11.039 -3.168 2.308 1.00 0.00 H
82
+ HETATM 81 H7 UNL 1 10.085 -5.014 1.610 1.00 0.00 H
83
+ HETATM 82 H8 UNL 1 10.725 -1.301 1.179 1.00 0.00 H
84
+ HETATM 83 H9 UNL 1 10.358 0.319 -0.431 1.00 0.00 H
85
+ HETATM 84 H10 UNL 1 8.147 -1.695 -1.205 1.00 0.00 H
86
+ HETATM 85 H11 UNL 1 8.644 -0.332 -2.211 1.00 0.00 H
87
+ HETATM 86 H12 UNL 1 9.744 -2.279 -2.915 1.00 0.00 H
88
+ HETATM 87 H13 UNL 1 11.109 0.034 -2.444 1.00 0.00 H
89
+ HETATM 88 H14 UNL 1 11.780 -1.415 -3.259 1.00 0.00 H
90
+ HETATM 89 H15 UNL 1 12.097 -1.226 -1.528 1.00 0.00 H
91
+ HETATM 90 H16 UNL 1 9.585 -3.047 -0.285 1.00 0.00 H
92
+ HETATM 91 H17 UNL 1 11.391 -2.842 -0.575 1.00 0.00 H
93
+ HETATM 92 H18 UNL 1 10.415 -3.972 -1.610 1.00 0.00 H
94
+ HETATM 93 H19 UNL 1 8.317 1.556 -1.900 1.00 0.00 H
95
+ HETATM 94 H20 UNL 1 7.034 3.104 0.427 1.00 0.00 H
96
+ HETATM 95 H21 UNL 1 7.822 4.132 -2.357 1.00 0.00 H
97
+ HETATM 96 H22 UNL 1 7.041 5.029 -1.016 1.00 0.00 H
98
+ HETATM 97 H23 UNL 1 9.954 4.148 1.254 1.00 0.00 H
99
+ HETATM 98 H24 UNL 1 5.847 0.541 -1.459 1.00 0.00 H
100
+ HETATM 99 H25 UNL 1 3.943 2.254 -2.985 1.00 0.00 H
101
+ HETATM 100 H26 UNL 1 4.496 0.035 -3.872 1.00 0.00 H
102
+ HETATM 101 H27 UNL 1 3.869 -0.803 -2.420 1.00 0.00 H
103
+ HETATM 102 H28 UNL 1 2.124 -0.742 -3.826 1.00 0.00 H
104
+ HETATM 103 H29 UNL 1 4.234 1.603 0.465 1.00 0.00 H
105
+ HETATM 104 H30 UNL 1 2.362 1.101 1.935 1.00 0.00 H
106
+ HETATM 105 H31 UNL 1 2.438 4.128 1.207 1.00 0.00 H
107
+ HETATM 106 H32 UNL 1 3.362 3.283 2.474 1.00 0.00 H
108
+ HETATM 107 H33 UNL 1 -0.224 5.939 4.579 1.00 0.00 H
109
+ HETATM 108 H34 UNL 1 3.179 6.274 2.844 1.00 0.00 H
110
+ HETATM 109 H35 UNL 1 -0.537 -0.359 -1.462 1.00 0.00 H
111
+ HETATM 110 H36 UNL 1 -1.722 -1.902 -0.153 1.00 0.00 H
112
+ HETATM 111 H37 UNL 1 -1.448 -0.961 1.398 1.00 0.00 H
113
+ HETATM 112 H38 UNL 1 0.577 -2.186 1.597 1.00 0.00 H
114
+ HETATM 113 H39 UNL 1 0.503 -2.691 -0.134 1.00 0.00 H
115
+ HETATM 114 H40 UNL 1 2.106 -0.598 0.903 1.00 0.00 H
116
+ HETATM 115 H41 UNL 1 1.680 -0.909 -0.868 1.00 0.00 H
117
+ HETATM 116 H42 UNL 1 -4.081 2.438 -1.373 1.00 0.00 H
118
+ HETATM 117 H43 UNL 1 -5.631 0.182 -2.662 1.00 0.00 H
119
+ HETATM 118 H44 UNL 1 -5.394 1.904 -3.169 1.00 0.00 H
120
+ HETATM 119 H45 UNL 1 -4.055 -0.206 -4.342 1.00 0.00 H
121
+ HETATM 120 H46 UNL 1 -3.255 1.420 -4.007 1.00 0.00 H
122
+ HETATM 121 H47 UNL 1 -1.759 0.037 -2.945 1.00 0.00 H
123
+ HETATM 122 H48 UNL 1 -2.949 -1.190 -2.435 1.00 0.00 H
124
+ HETATM 123 H49 UNL 1 -6.873 1.855 -1.209 1.00 0.00 H
125
+ HETATM 124 H50 UNL 1 -6.882 1.068 1.669 1.00 0.00 H
126
+ HETATM 125 H51 UNL 1 -7.704 3.245 0.995 1.00 0.00 H
127
+ HETATM 126 H52 UNL 1 -8.773 2.483 -0.272 1.00 0.00 H
128
+ HETATM 127 H53 UNL 1 -9.608 2.357 3.949 1.00 0.00 H
129
+ HETATM 128 H54 UNL 1 -8.910 3.814 3.230 1.00 0.00 H
130
+ HETATM 129 H55 UNL 1 -9.398 -0.205 2.214 1.00 0.00 H
131
+ HETATM 130 H56 UNL 1 -9.204 -2.390 0.123 1.00 0.00 H
132
+ HETATM 131 H57 UNL 1 -10.357 -3.872 1.699 1.00 0.00 H
133
+ HETATM 132 H58 UNL 1 -10.187 -2.766 4.027 1.00 0.00 H
134
+ HETATM 133 H59 UNL 1 -7.961 -3.712 1.608 1.00 0.00 H
135
+ HETATM 134 H60 UNL 1 -7.880 -2.346 2.743 1.00 0.00 H
136
+ HETATM 135 H61 UNL 1 -8.413 -3.933 3.372 1.00 0.00 H
137
+ HETATM 136 H62 UNL 1 -11.449 -3.846 -0.003 1.00 0.00 H
138
+ HETATM 137 H63 UNL 1 -13.532 -1.849 -0.882 1.00 0.00 H
139
+ HETATM 138 H64 UNL 1 -14.334 -5.019 1.604 1.00 0.00 H
140
+ HETATM 139 H65 UNL 1 -12.919 -4.546 -2.175 1.00 0.00 H
141
+ HETATM 140 H66 UNL 1 -14.139 -3.364 -2.653 1.00 0.00 H
142
+ HETATM 141 H67 UNL 1 -12.631 -1.779 -2.928 1.00 0.00 H
143
+ CONECT 1 2 75 76 77
144
+ CONECT 2 3 5 78
145
+ CONECT 3 4 4 7
146
+ CONECT 5 6 79 80
147
+ CONECT 6 81
148
+ CONECT 7 8 82
149
+ CONECT 8 9 11 83
150
+ CONECT 9 10 10 15
151
+ CONECT 11 12 84 85
152
+ CONECT 12 13 14 86
153
+ CONECT 13 87 88 89
154
+ CONECT 14 90 91 92
155
+ CONECT 15 16 93
156
+ CONECT 16 17 19 94
157
+ CONECT 17 18 18 23
158
+ CONECT 19 20 95 96
159
+ CONECT 20 21 22 22
160
+ CONECT 21 97
161
+ CONECT 23 24 98
162
+ CONECT 24 25 27 99
163
+ CONECT 25 26 26 29
164
+ CONECT 27 28 100 101
165
+ CONECT 28 102
166
+ CONECT 29 30 103
167
+ CONECT 30 31 33 104
168
+ CONECT 31 32 105 106
169
+ CONECT 32 35
170
+ CONECT 33 34 34 39
171
+ CONECT 35 36 36 37 38
172
+ CONECT 37 107
173
+ CONECT 38 108
174
+ CONECT 39 40 45
175
+ CONECT 40 41 43 109
176
+ CONECT 41 42 42 46
177
+ CONECT 43 44 110 111
178
+ CONECT 44 45 112 113
179
+ CONECT 45 114 115
180
+ CONECT 46 47 52
181
+ CONECT 47 48 50 116
182
+ CONECT 48 49 49 53
183
+ CONECT 50 51 117 118
184
+ CONECT 51 52 119 120
185
+ CONECT 52 121 122
186
+ CONECT 53 54 123
187
+ CONECT 54 55 57 124
188
+ CONECT 55 56 56 61
189
+ CONECT 57 58 125 126
190
+ CONECT 58 59 59 60
191
+ CONECT 60 127 128
192
+ CONECT 61 62 129
193
+ CONECT 62 63 65 130
194
+ CONECT 63 64 64 68
195
+ CONECT 65 66 67 131
196
+ CONECT 66 132
197
+ CONECT 67 133 134 135
198
+ CONECT 68 69 136
199
+ CONECT 69 70 72 137
200
+ CONECT 70 71 74 74
201
+ CONECT 71 138
202
+ CONECT 72 73 139 140
203
+ CONECT 73 141
204
+ END
6qto/6qto_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qto/6qto_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qto/6qto_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtq/6qtq_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtq/6qtq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtq/6qtq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtr/6qtr_ligand.sdf ADDED
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1
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+ M END
380
+ $$$$
6qtr/6qtr_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtr/6qtr_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtr/6qtr_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtr/6qtr_rdkit_ligand.pdb ADDED
@@ -0,0 +1,269 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qtr_ligand
2
+ HETATM 1 N1 UNL 1 -12.362 -0.315 4.293 1.00 0.00 N1+
3
+ HETATM 2 C1 UNL 1 -10.967 -0.325 4.048 1.00 0.00 C
4
+ HETATM 3 C2 UNL 1 -10.774 -0.722 2.596 1.00 0.00 C
5
+ HETATM 4 O1 UNL 1 -11.464 -1.675 2.160 1.00 0.00 O
6
+ HETATM 5 C3 UNL 1 -10.122 -1.150 4.942 1.00 0.00 C
7
+ HETATM 6 C4 UNL 1 -10.406 -2.602 5.002 1.00 0.00 C
8
+ HETATM 7 C5 UNL 1 -11.673 -2.967 5.610 1.00 0.00 C
9
+ HETATM 8 O2 UNL 1 -12.252 -4.218 5.387 1.00 0.00 O
10
+ HETATM 9 O3 UNL 1 -12.309 -2.191 6.358 1.00 0.00 O
11
+ HETATM 10 N2 UNL 1 -9.873 -0.060 1.753 1.00 0.00 N
12
+ HETATM 11 C6 UNL 1 -9.602 -0.342 0.373 1.00 0.00 C
13
+ HETATM 12 C7 UNL 1 -8.775 0.632 -0.299 1.00 0.00 C
14
+ HETATM 13 O4 UNL 1 -8.506 0.539 -1.546 1.00 0.00 O
15
+ HETATM 14 C8 UNL 1 -10.877 -0.659 -0.385 1.00 0.00 C
16
+ HETATM 15 C9 UNL 1 -10.589 -0.915 -1.839 1.00 0.00 C
17
+ HETATM 16 C10 UNL 1 -11.957 0.354 -0.267 1.00 0.00 C
18
+ HETATM 17 C11 UNL 1 -11.921 -1.311 -2.547 1.00 0.00 C
19
+ HETATM 18 N3 UNL 1 -8.165 1.791 0.298 1.00 0.00 N
20
+ HETATM 19 C12 UNL 1 -7.419 2.674 -0.530 1.00 0.00 C
21
+ HETATM 20 C13 UNL 1 -6.067 2.073 -0.895 1.00 0.00 C
22
+ HETATM 21 O5 UNL 1 -5.357 2.783 -1.630 1.00 0.00 O
23
+ HETATM 22 C14 UNL 1 -7.172 4.027 0.056 1.00 0.00 C
24
+ HETATM 23 C15 UNL 1 -8.390 4.816 0.414 1.00 0.00 C
25
+ HETATM 24 C16 UNL 1 -9.342 5.094 -0.702 1.00 0.00 C
26
+ HETATM 25 N4 UNL 1 -10.491 5.866 -0.244 1.00 0.00 N
27
+ HETATM 26 C17 UNL 1 -11.387 5.232 0.649 1.00 0.00 C
28
+ HETATM 27 N5 UNL 1 -12.165 5.933 1.603 1.00 0.00 N
29
+ HETATM 28 N6 UNL 1 -11.489 3.941 0.579 1.00 0.00 N
30
+ HETATM 29 N7 UNL 1 -5.615 0.823 -0.458 1.00 0.00 N
31
+ HETATM 30 C18 UNL 1 -4.343 0.228 -0.784 1.00 0.00 C
32
+ HETATM 31 C19 UNL 1 -3.250 1.052 -0.254 1.00 0.00 C
33
+ HETATM 32 O6 UNL 1 -3.507 2.230 0.095 1.00 0.00 O
34
+ HETATM 33 C20 UNL 1 -4.326 0.021 -2.262 1.00 0.00 C
35
+ HETATM 34 C21 UNL 1 -3.075 -0.561 -2.825 1.00 0.00 C
36
+ HETATM 35 C22 UNL 1 -3.269 -0.716 -4.323 1.00 0.00 C
37
+ HETATM 36 N8 UNL 1 -4.353 -1.632 -4.572 1.00 0.00 N
38
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39
+ HETATM 38 N9 UNL 1 -5.201 -3.976 -4.240 1.00 0.00 N
40
+ HETATM 39 N10 UNL 1 -2.959 -3.381 -3.984 1.00 0.00 N
41
+ HETATM 40 N11 UNL 1 -1.922 0.605 -0.110 1.00 0.00 N
42
+ HETATM 41 C24 UNL 1 -0.855 1.396 0.392 1.00 0.00 C
43
+ HETATM 42 C25 UNL 1 0.491 0.856 0.377 1.00 0.00 C
44
+ HETATM 43 O7 UNL 1 1.485 1.705 0.348 1.00 0.00 O
45
+ HETATM 44 C26 UNL 1 -1.190 2.000 1.767 1.00 0.00 C
46
+ HETATM 45 C27 UNL 1 -1.517 1.066 2.844 1.00 0.00 C
47
+ HETATM 46 C28 UNL 1 0.064 2.767 2.182 1.00 0.00 C
48
+ HETATM 47 N12 UNL 1 0.962 -0.472 0.394 1.00 0.00 N
49
+ HETATM 48 C29 UNL 1 2.295 -0.956 0.322 1.00 0.00 C
50
+ HETATM 49 C30 UNL 1 2.804 -1.761 -0.720 1.00 0.00 C
51
+ HETATM 50 O8 UNL 1 2.369 -2.960 -0.869 1.00 0.00 O
52
+ HETATM 51 C31 UNL 1 2.333 -1.684 1.699 1.00 0.00 C
53
+ HETATM 52 C32 UNL 1 1.066 -2.497 1.520 1.00 0.00 C
54
+ HETATM 53 C33 UNL 1 0.167 -1.647 0.593 1.00 0.00 C
55
+ HETATM 54 N13 UNL 1 3.792 -1.387 -1.667 1.00 0.00 N
56
+ HETATM 55 C34 UNL 1 4.331 -2.277 -2.689 1.00 0.00 C
57
+ HETATM 56 C35 UNL 1 5.826 -2.290 -2.600 1.00 0.00 C
58
+ HETATM 57 O9 UNL 1 6.495 -3.156 -3.200 1.00 0.00 O
59
+ HETATM 58 C36 UNL 1 3.870 -1.796 -4.043 1.00 0.00 C
60
+ HETATM 59 C37 UNL 1 4.407 -2.684 -5.142 1.00 0.00 C
61
+ HETATM 60 C38 UNL 1 3.977 -2.212 -6.480 1.00 0.00 C
62
+ HETATM 61 O10 UNL 1 3.212 -1.213 -6.564 1.00 0.00 O
63
+ HETATM 62 O11 UNL 1 4.364 -2.804 -7.675 1.00 0.00 O
64
+ HETATM 63 N14 UNL 1 6.526 -1.311 -1.832 1.00 0.00 N
65
+ HETATM 64 C39 UNL 1 7.973 -1.269 -1.698 1.00 0.00 C
66
+ HETATM 65 C40 UNL 1 8.436 -1.109 -0.335 1.00 0.00 C
67
+ HETATM 66 O12 UNL 1 9.669 -1.154 -0.104 1.00 0.00 O
68
+ HETATM 67 C41 UNL 1 8.578 -0.257 -2.631 1.00 0.00 C
69
+ HETATM 68 C42 UNL 1 8.104 1.121 -2.461 1.00 0.00 C
70
+ HETATM 69 C43 UNL 1 8.720 2.033 -1.656 1.00 0.00 C
71
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72
+ HETATM 71 C45 UNL 1 8.282 3.325 -1.469 1.00 0.00 C
73
+ HETATM 72 C46 UNL 1 6.508 2.832 -2.954 1.00 0.00 C
74
+ HETATM 73 C47 UNL 1 7.145 3.751 -2.132 1.00 0.00 C
75
+ HETATM 74 N15 UNL 1 7.588 -0.906 0.797 1.00 0.00 N
76
+ HETATM 75 C48 UNL 1 8.064 -0.774 2.141 1.00 0.00 C
77
+ HETATM 76 C49 UNL 1 9.007 0.336 2.373 1.00 0.00 C
78
+ HETATM 77 O13 UNL 1 9.380 1.107 1.438 1.00 0.00 O
79
+ HETATM 78 N16 UNL 1 9.515 0.554 3.673 1.00 0.00 N
80
+ HETATM 79 C50 UNL 1 10.456 1.586 4.026 1.00 0.00 C
81
+ HETATM 80 C51 UNL 1 11.767 1.461 3.393 1.00 0.00 C
82
+ HETATM 81 O14 UNL 1 12.679 2.336 3.585 1.00 0.00 O
83
+ HETATM 82 N17 UNL 1 12.076 0.380 2.561 1.00 0.00 N
84
+ HETATM 83 C52 UNL 1 13.380 0.200 1.908 1.00 0.00 C
85
+ HETATM 84 C53 UNL 1 13.237 0.363 0.459 1.00 0.00 C
86
+ HETATM 85 O15 UNL 1 12.078 0.656 -0.010 1.00 0.00 O
87
+ HETATM 86 C54 UNL 1 13.895 -1.155 2.312 1.00 0.00 C
88
+ HETATM 87 C55 UNL 1 15.186 -1.520 1.737 1.00 0.00 C
89
+ HETATM 88 C56 UNL 1 16.359 -1.178 2.404 1.00 0.00 C
90
+ HETATM 89 C57 UNL 1 15.250 -2.219 0.552 1.00 0.00 C
91
+ HETATM 90 C58 UNL 1 17.557 -1.558 1.852 1.00 0.00 C
92
+ HETATM 91 C59 UNL 1 16.463 -2.584 0.021 1.00 0.00 C
93
+ HETATM 92 C60 UNL 1 17.654 -2.256 0.669 1.00 0.00 C
94
+ HETATM 93 O16 UNL 1 18.873 -2.634 0.118 1.00 0.00 O
95
+ HETATM 94 O17 UNL 1 14.244 0.229 -0.478 1.00 0.00 O
96
+ HETATM 95 H1 UNL 1 -12.649 0.114 5.196 1.00 0.00 H
97
+ HETATM 96 H2 UNL 1 -12.753 0.394 3.551 1.00 0.00 H
98
+ HETATM 97 H3 UNL 1 -12.881 -1.174 4.032 1.00 0.00 H
99
+ HETATM 98 H4 UNL 1 -10.613 0.749 4.180 1.00 0.00 H
100
+ HETATM 99 H5 UNL 1 -9.050 -0.928 4.709 1.00 0.00 H
101
+ HETATM 100 H6 UNL 1 -10.236 -0.702 5.985 1.00 0.00 H
102
+ HETATM 101 H7 UNL 1 -9.591 -3.075 5.611 1.00 0.00 H
103
+ HETATM 102 H8 UNL 1 -10.355 -2.994 3.951 1.00 0.00 H
104
+ HETATM 103 H9 UNL 1 -13.267 -4.337 5.336 1.00 0.00 H
105
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106
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107
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108
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109
+ HETATM 108 H14 UNL 1 -9.875 -1.694 -2.015 1.00 0.00 H
110
+ HETATM 109 H15 UNL 1 -12.953 -0.160 -0.080 1.00 0.00 H
111
+ HETATM 110 H16 UNL 1 -11.790 1.141 0.485 1.00 0.00 H
112
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113
+ HETATM 112 H18 UNL 1 -12.464 -0.419 -2.869 1.00 0.00 H
114
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115
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116
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117
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118
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119
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120
+ HETATM 119 H25 UNL 1 -8.861 4.336 1.294 1.00 0.00 H
121
+ HETATM 120 H26 UNL 1 -7.992 5.798 0.829 1.00 0.00 H
122
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123
+ HETATM 122 H28 UNL 1 -9.674 4.162 -1.223 1.00 0.00 H
124
+ HETATM 123 H29 UNL 1 -10.685 6.843 -0.529 1.00 0.00 H
125
+ HETATM 124 H30 UNL 1 -12.680 6.796 1.362 1.00 0.00 H
126
+ HETATM 125 H31 UNL 1 -12.219 5.561 2.564 1.00 0.00 H
127
+ HETATM 126 H32 UNL 1 -12.147 3.416 1.225 1.00 0.00 H
128
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129
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130
+ HETATM 129 H35 UNL 1 -5.159 -0.664 -2.509 1.00 0.00 H
131
+ HETATM 130 H36 UNL 1 -4.528 0.969 -2.806 1.00 0.00 H
132
+ HETATM 131 H37 UNL 1 -2.919 -1.583 -2.429 1.00 0.00 H
133
+ HETATM 132 H38 UNL 1 -2.181 0.091 -2.722 1.00 0.00 H
134
+ HETATM 133 H39 UNL 1 -2.356 -1.097 -4.830 1.00 0.00 H
135
+ HETATM 134 H40 UNL 1 -3.589 0.280 -4.747 1.00 0.00 H
136
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137
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138
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139
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140
+ HETATM 139 H45 UNL 1 -1.776 -0.412 -0.446 1.00 0.00 H
141
+ HETATM 140 H46 UNL 1 -0.846 2.341 -0.191 1.00 0.00 H
142
+ HETATM 141 H47 UNL 1 -1.967 2.765 1.648 1.00 0.00 H
143
+ HETATM 142 H48 UNL 1 -2.166 1.547 3.653 1.00 0.00 H
144
+ HETATM 143 H49 UNL 1 -1.968 0.090 2.556 1.00 0.00 H
145
+ HETATM 144 H50 UNL 1 -0.587 0.805 3.389 1.00 0.00 H
146
+ HETATM 145 H51 UNL 1 0.360 3.488 1.399 1.00 0.00 H
147
+ HETATM 146 H52 UNL 1 0.870 2.077 2.486 1.00 0.00 H
148
+ HETATM 147 H53 UNL 1 -0.198 3.310 3.142 1.00 0.00 H
149
+ HETATM 148 H54 UNL 1 2.994 -0.080 0.483 1.00 0.00 H
150
+ HETATM 149 H55 UNL 1 2.294 -0.984 2.529 1.00 0.00 H
151
+ HETATM 150 H56 UNL 1 3.209 -2.350 1.689 1.00 0.00 H
152
+ HETATM 151 H57 UNL 1 1.236 -3.444 0.979 1.00 0.00 H
153
+ HETATM 152 H58 UNL 1 0.540 -2.692 2.489 1.00 0.00 H
154
+ HETATM 153 H59 UNL 1 -0.118 -2.195 -0.299 1.00 0.00 H
155
+ HETATM 154 H60 UNL 1 -0.724 -1.346 1.229 1.00 0.00 H
156
+ HETATM 155 H61 UNL 1 4.082 -0.371 -1.569 1.00 0.00 H
157
+ HETATM 156 H62 UNL 1 3.969 -3.285 -2.531 1.00 0.00 H
158
+ HETATM 157 H63 UNL 1 2.756 -1.888 -4.075 1.00 0.00 H
159
+ HETATM 158 H64 UNL 1 4.210 -0.766 -4.249 1.00 0.00 H
160
+ HETATM 159 H65 UNL 1 4.058 -3.741 -5.037 1.00 0.00 H
161
+ HETATM 160 H66 UNL 1 5.518 -2.726 -5.180 1.00 0.00 H
162
+ HETATM 161 H67 UNL 1 4.006 -2.547 -8.574 1.00 0.00 H
163
+ HETATM 162 H68 UNL 1 5.969 -0.586 -1.340 1.00 0.00 H
164
+ HETATM 163 H69 UNL 1 8.330 -2.267 -2.089 1.00 0.00 H
165
+ HETATM 164 H70 UNL 1 9.710 -0.293 -2.539 1.00 0.00 H
166
+ HETATM 165 H71 UNL 1 8.354 -0.569 -3.697 1.00 0.00 H
167
+ HETATM 166 H72 UNL 1 9.642 1.780 -1.117 1.00 0.00 H
168
+ HETATM 167 H73 UNL 1 6.398 0.895 -3.799 1.00 0.00 H
169
+ HETATM 168 H74 UNL 1 8.797 4.028 -0.822 1.00 0.00 H
170
+ HETATM 169 H75 UNL 1 5.629 3.178 -3.462 1.00 0.00 H
171
+ HETATM 170 H76 UNL 1 6.785 4.760 -1.992 1.00 0.00 H
172
+ HETATM 171 H77 UNL 1 6.548 -0.864 0.577 1.00 0.00 H
173
+ HETATM 172 H78 UNL 1 8.633 -1.710 2.442 1.00 0.00 H
174
+ HETATM 173 H79 UNL 1 7.235 -0.690 2.880 1.00 0.00 H
175
+ HETATM 174 H80 UNL 1 9.169 -0.091 4.432 1.00 0.00 H
176
+ HETATM 175 H81 UNL 1 10.576 1.602 5.146 1.00 0.00 H
177
+ HETATM 176 H82 UNL 1 10.002 2.563 3.734 1.00 0.00 H
178
+ HETATM 177 H83 UNL 1 11.371 -0.381 2.378 1.00 0.00 H
179
+ HETATM 178 H84 UNL 1 14.037 1.036 2.278 1.00 0.00 H
180
+ HETATM 179 H85 UNL 1 13.106 -1.910 2.084 1.00 0.00 H
181
+ HETATM 180 H86 UNL 1 13.994 -1.161 3.444 1.00 0.00 H
182
+ HETATM 181 H87 UNL 1 16.361 -0.634 3.337 1.00 0.00 H
183
+ HETATM 182 H88 UNL 1 14.314 -2.462 0.069 1.00 0.00 H
184
+ HETATM 183 H89 UNL 1 18.466 -1.290 2.386 1.00 0.00 H
185
+ HETATM 184 H90 UNL 1 16.524 -3.122 -0.908 1.00 0.00 H
186
+ HETATM 185 H91 UNL 1 19.250 -3.556 0.399 1.00 0.00 H
187
+ HETATM 186 H92 UNL 1 14.197 0.698 -1.394 1.00 0.00 H
188
+ CONECT 1 2 95 96 97
189
+ CONECT 2 3 5 98
190
+ CONECT 3 4 4 10
191
+ CONECT 5 6 99 100
192
+ CONECT 6 7 101 102
193
+ CONECT 7 8 9 9
194
+ CONECT 8 103
195
+ CONECT 10 11 104
196
+ CONECT 11 12 14 105
197
+ CONECT 12 13 13 18
198
+ CONECT 14 15 16 106
199
+ CONECT 15 17 107 108
200
+ CONECT 16 109 110 111
201
+ CONECT 17 112 113 114
202
+ CONECT 18 19 115
203
+ CONECT 19 20 22 116
204
+ CONECT 20 21 21 29
205
+ CONECT 22 23 117 118
206
+ CONECT 23 24 119 120
207
+ CONECT 24 25 121 122
208
+ CONECT 25 26 123
209
+ CONECT 26 27 28 28
210
+ CONECT 27 124 125
211
+ CONECT 28 126
212
+ CONECT 29 30 127
213
+ CONECT 30 31 33 128
214
+ CONECT 31 32 32 40
215
+ CONECT 33 34 129 130
216
+ CONECT 34 35 131 132
217
+ CONECT 35 36 133 134
218
+ CONECT 36 37 135
219
+ CONECT 37 38 39 39
220
+ CONECT 38 136 137
221
+ CONECT 39 138
222
+ CONECT 40 41 139
223
+ CONECT 41 42 44 140
224
+ CONECT 42 43 43 47
225
+ CONECT 44 45 46 141
226
+ CONECT 45 142 143 144
227
+ CONECT 46 145 146 147
228
+ CONECT 47 48 53
229
+ CONECT 48 49 51 148
230
+ CONECT 49 50 50 54
231
+ CONECT 51 52 149 150
232
+ CONECT 52 53 151 152
233
+ CONECT 53 153 154
234
+ CONECT 54 55 155
235
+ CONECT 55 56 58 156
236
+ CONECT 56 57 57 63
237
+ CONECT 58 59 157 158
238
+ CONECT 59 60 159 160
239
+ CONECT 60 61 61 62
240
+ CONECT 62 161
241
+ CONECT 63 64 162
242
+ CONECT 64 65 67 163
243
+ CONECT 65 66 66 74
244
+ CONECT 67 68 164 165
245
+ CONECT 68 69 69 70
246
+ CONECT 69 71 166
247
+ CONECT 70 72 72 167
248
+ CONECT 71 73 73 168
249
+ CONECT 72 73 169
250
+ CONECT 73 170
251
+ CONECT 74 75 171
252
+ CONECT 75 76 172 173
253
+ CONECT 76 77 77 78
254
+ CONECT 78 79 174
255
+ CONECT 79 80 175 176
256
+ CONECT 80 81 81 82
257
+ CONECT 82 83 177
258
+ CONECT 83 84 86 178
259
+ CONECT 84 85 85 94
260
+ CONECT 86 87 179 180
261
+ CONECT 87 88 88 89
262
+ CONECT 88 90 181
263
+ CONECT 89 91 91 182
264
+ CONECT 90 92 92 183
265
+ CONECT 91 92 184
266
+ CONECT 92 93
267
+ CONECT 93 185
268
+ CONECT 94 186
269
+ END
6qts/6qts_protein_alphafold_aligned_tr_fix.pdb ADDED
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6qts/6qts_protein_esmfold_aligned_tr_fix.pdb ADDED
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6qts/6qts_protein_processed_fix.pdb ADDED
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6qtw/6qtw_protein_alphafold_aligned_tr_fix.pdb ADDED
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6qtw/6qtw_protein_esmfold_aligned_tr_fix.pdb ADDED
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6qtw/6qtw_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtx/6qtx_protein_alphafold_aligned_tr_fix.pdb ADDED
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6qtx/6qtx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qtx/6qtx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quv/6quv_ligand.mol2 ADDED
@@ -0,0 +1,124 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:11:30 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6quv_ligand
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+ 52 56 1 0 0
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+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
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14
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15
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17
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18
+ 6 C13 -7.1840 -17.2080 28.0210 C.ar 1 JJN -0.0061
19
+ 7 C15 -9.0230 -18.0830 29.3180 C.ar 1 JJN -0.0640
20
+ 8 C17 -8.6480 -15.7120 29.2530 C.ar 1 JJN -0.0483
21
+ 9 C20 -4.3310 -16.5630 29.9140 C.3 1 JJN -0.0023
22
+ 10 C21 -3.2990 -16.6690 31.0300 C.3 1 JJN -0.0315
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24
+ 12 C26 -1.3220 -17.8820 31.8920 C.3 1 JJN -0.0431
25
+ 13 C1 -6.1520 -17.1450 22.9260 C.ar 1 JJN -0.0804
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+ 14 C2 -7.1760 -17.8550 23.5460 C.ar 1 JJN -0.0815
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+ 15 C3 -7.1760 -18.0310 24.9210 C.ar 1 JJN -0.0691
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+ 16 N7 -4.2450 -16.2490 25.9900 N.pl3 1 JJN -0.2971
29
+ 17 C9 -5.9400 -17.4240 27.1800 C.3 1 JJN 0.0728
30
+ 18 N11 -5.5110 -14.9760 27.5210 N.am 1 JJN -0.2582
31
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32
+ 20 C14 -7.9220 -18.2870 28.5010 C.ar 1 JJN -0.0524
33
+ 21 C16 -9.3920 -16.8010 29.6840 C.ar 1 JJN -0.0629
34
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35
+ 23 C19 -3.7530 -16.5180 28.4850 C.3 1 JJN 0.0278
36
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+ 25 C23 -1.8910 -18.0070 29.4890 C.3 1 JJN -0.0315
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+ 33 H7 -2.6612 -15.7730 31.0080 H 1 JJN 0.0814
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+ 36 H10 -0.7044 -18.7830 31.7628 H 1 JJN 0.0777
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+ 38 H12 -0.6995 -16.9868 31.7467 H 1 JJN 0.0777
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+ 39 H13 -6.1427 -17.0510 21.8461 H 1 JJN 0.0528
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+ 40 H14 -7.9789 -18.2731 22.9497 H 1 JJN 0.0488
53
+ 41 H15 -7.9385 -18.6376 25.3961 H 1 JJN 0.0524
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+ 42 H16 -3.2866 -15.9281 25.7912 H 1 JJN 0.1763
55
+ 43 H17 -5.4956 -18.3823 27.4867 H 1 JJN 0.0653
56
+ 44 H18 -4.9510 -14.1733 27.3157 H 1 JJN 0.1871
57
+ 45 H19 -7.6325 -19.2967 28.2330 H 1 JJN 0.0572
58
+ 46 H20 -10.2643 -16.6469 30.3089 H 1 JJN 0.0572
59
+ 47 H21 -2.9983 -18.6981 31.0688 H 1 JJN 0.2030
60
+ 48 H22 -1.1352 -17.2232 29.3327 H 1 JJN 0.0814
61
+ 49 H23 -1.4232 -18.9958 29.3733 H 1 JJN 0.0814
62
+ 50 H24 -3.3135 -14.3975 28.4190 H 1 JJN 0.0237
63
+ 51 H25 -2.2164 -15.4165 27.4268 H 1 JJN 0.0237
64
+ 52 H26 -2.0499 -15.3954 29.2152 H 1 JJN 0.0237
65
+ @<TRIPOS>BOND
66
+ 1 2 1 ar
67
+ 2 1 13 ar
68
+ 3 3 2 ar
69
+ 4 16 2 1
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+ 5 3 15 ar
71
+ 6 17 3 1
72
+ 7 4 16 1
73
+ 8 4 17 1
74
+ 9 4 18 1
75
+ 10 23 4 1
76
+ 11 18 5 am
77
+ 12 5 19 1
78
+ 13 5 22 2
79
+ 14 17 6 1
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+ 15 6 19 ar
81
+ 16 6 20 ar
82
+ 17 20 7 ar
83
+ 18 7 21 ar
84
+ 19 19 8 ar
85
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86
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87
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+ @<TRIPOS>SUBSTRUCTURE
123
+ 1 JJN 1
124
+
6quv/6quv_ligand.sdf ADDED
@@ -0,0 +1,114 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6quv_ligand
2
+ -I-interpret-
3
+
4
+ 52 56 0 0 0 0 0 0 0 0999 V2000
5
+ -5.1410 -16.5550 23.6760 C 0 0 0 0 0
6
+ -5.1530 -16.7280 25.0590 C 0 0 0 0 0
7
+ -6.1890 -17.4220 25.6820 C 0 0 0 0 0
8
+ -4.8860 -16.2790 27.3040 C 0 0 0 0 0
9
+ -6.7580 -14.7390 27.9670 C 0 0 0 0 0
10
+ -7.1840 -17.2080 28.0210 C 0 0 0 0 0
11
+ -9.0230 -18.0830 29.3180 C 0 0 0 0 0
12
+ -8.6480 -15.7120 29.2530 C 0 0 0 0 0
13
+ -4.3310 -16.5630 29.9140 C 0 0 0 0 0
14
+ -3.2990 -16.6690 31.0300 C 0 0 0 0 0
15
+ -2.9820 -17.8540 28.4290 C 0 0 0 0 0
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+ -1.3220 -17.8820 31.8920 C 0 0 0 0 0
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+ -6.1520 -17.1450 22.9260 C 0 0 0 0 0
18
+ -7.1760 -17.8550 23.5460 C 0 0 0 0 0
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+ -7.1760 -18.0310 24.9210 C 0 0 0 0 0
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+ -4.2450 -16.2490 25.9900 N 0 0 0 0 0
21
+ -5.9400 -17.4240 27.1800 C 0 0 0 0 0
22
+ -5.5110 -14.9760 27.5210 N 0 0 0 0 0
23
+ -7.5350 -15.9080 28.4260 C 0 0 0 0 0
24
+ -7.9220 -18.2870 28.5010 C 0 0 0 0 0
25
+ -9.3920 -16.8010 29.6840 C 0 0 0 0 0
26
+ -7.2240 -13.6030 27.9870 O 0 0 0 0 0
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+ -3.7530 -16.5180 28.4850 C 0 0 0 0 0
28
+ -2.4260 -17.8880 30.8890 N 0 3 0 0 0
29
+ -1.8910 -18.0070 29.4890 C 0 0 0 0 0
30
+ -2.7630 -15.3490 28.3790 C 0 0 0 0 0
31
+ -4.3573 -15.9708 23.1938 H 0 0 0 0 0
32
+ -9.6005 -18.9363 29.6736 H 0 0 0 0 0
33
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34
+ -4.8605 -15.6226 30.0665 H 0 0 0 0 0
35
+ -4.9483 -17.4594 29.9732 H 0 0 0 0 0
36
+ -3.8327 -16.7436 31.9775 H 0 0 0 0 0
37
+ -2.6590 -15.7880 30.9829 H 0 0 0 0 0
38
+ -2.4888 -17.8952 27.4579 H 0 0 0 0 0
39
+ -3.7086 -18.6472 28.6049 H 0 0 0 0 0
40
+ -0.7060 -16.9945 31.7470 H 0 0 0 0 0
41
+ -1.7454 -17.8719 32.8964 H 0 0 0 0 0
42
+ -0.7108 -18.7752 31.7630 H 0 0 0 0 0
43
+ -6.1426 -17.0505 21.8401 H 0 0 0 0 0
44
+ -7.9833 -18.2755 22.9464 H 0 0 0 0 0
45
+ -7.9427 -18.6409 25.3987 H 0 0 0 0 0
46
+ -3.2960 -15.9312 25.7932 H 0 0 0 0 0
47
+ -5.6015 -18.3853 27.5665 H 0 0 0 0 0
48
+ -4.9398 -14.1573 27.3116 H 0 0 0 0 0
49
+ -7.6309 -19.3023 28.2315 H 0 0 0 0 0
50
+ -10.2691 -16.6460 30.3123 H 0 0 0 0 0
51
+ -3.0030 -18.7086 31.0735 H 0 0 0 0 0
52
+ -1.1628 -17.2100 29.3389 H 0 0 0 0 0
53
+ -1.4535 -18.9994 29.3799 H 0 0 0 0 0
54
+ -3.2815 -14.4148 28.5947 H 0 0 0 0 0
55
+ -1.9556 -15.4921 29.0971 H 0 0 0 0 0
56
+ -2.3517 -15.3132 27.3702 H 0 0 0 0 0
57
+ 2 1 4 0 0 0
58
+ 1 13 4 0 0 0
59
+ 3 2 4 0 0 0
60
+ 16 2 1 0 0 0
61
+ 3 15 4 0 0 0
62
+ 17 3 1 0 0 0
63
+ 4 16 1 0 0 0
64
+ 4 17 1 0 0 0
65
+ 4 18 1 0 0 0
66
+ 23 4 1 0 0 0
67
+ 18 5 1 0 0 0
68
+ 5 19 1 0 0 0
69
+ 5 22 2 0 0 0
70
+ 17 6 1 0 0 0
71
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72
+ 6 20 4 0 0 0
73
+ 20 7 4 0 0 0
74
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75
+ 19 8 4 0 0 0
76
+ 8 21 4 0 0 0
77
+ 9 10 1 0 0 0
78
+ 9 23 1 0 0 0
79
+ 10 24 1 0 0 0
80
+ 23 11 1 0 0 0
81
+ 11 25 1 0 0 0
82
+ 24 12 1 0 0 0
83
+ 13 14 4 0 0 0
84
+ 14 15 4 0 0 0
85
+ 23 26 1 0 0 0
86
+ 24 25 1 0 0 0
87
+ 1 27 1 0 0 0
88
+ 7 28 1 0 0 0
89
+ 8 29 1 0 0 0
90
+ 9 30 1 0 0 0
91
+ 9 31 1 0 0 0
92
+ 10 32 1 0 0 0
93
+ 10 33 1 0 0 0
94
+ 11 34 1 0 0 0
95
+ 11 35 1 0 0 0
96
+ 12 36 1 0 0 0
97
+ 12 37 1 0 0 0
98
+ 12 38 1 0 0 0
99
+ 13 39 1 0 0 0
100
+ 14 40 1 0 0 0
101
+ 15 41 1 0 0 0
102
+ 16 42 1 0 0 0
103
+ 17 43 1 0 0 0
104
+ 18 44 1 0 0 0
105
+ 20 45 1 0 0 0
106
+ 21 46 1 0 0 0
107
+ 24 47 1 0 0 0
108
+ 25 48 1 0 0 0
109
+ 25 49 1 0 0 0
110
+ 26 50 1 0 0 0
111
+ 26 51 1 0 0 0
112
+ 26 52 1 0 0 0
113
+ M END
114
+ $$$$
6quv/6quv_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quv/6quv_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quv/6quv_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quv/6quv_rdkit_ligand.pdb ADDED
@@ -0,0 +1,78 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6quv_ligand
2
+ HETATM 1 C1 UNL 1 -2.253 3.441 0.212 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -1.544 2.255 -0.010 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -2.249 1.140 -0.404 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 -0.133 0.493 0.305 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -1.136 -0.943 2.093 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 -1.911 -1.210 -0.194 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -3.255 -3.095 -0.791 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 -2.530 -2.853 1.431 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 1.641 0.134 -1.423 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 3.083 -0.238 -1.605 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 2.215 0.543 0.931 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 4.866 -0.419 0.006 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 -3.620 3.532 0.051 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 -4.311 2.406 -0.344 1.00 0.00 C
16
+ HETATM 15 C15 UNL 1 -3.614 1.235 -0.563 1.00 0.00 C
17
+ HETATM 16 N1 UNL 1 -0.154 1.936 0.095 1.00 0.00 N
18
+ HETATM 17 C16 UNL 1 -1.241 0.029 -0.568 1.00 0.00 C
19
+ HETATM 18 N2 UNL 1 -0.467 0.252 1.693 1.00 0.00 N
20
+ HETATM 19 C17 UNL 1 -1.880 -1.684 1.086 1.00 0.00 C
21
+ HETATM 20 C18 UNL 1 -2.607 -1.927 -1.142 1.00 0.00 C
22
+ HETATM 21 C19 UNL 1 -3.233 -3.583 0.491 1.00 0.00 C
23
+ HETATM 22 O1 UNL 1 -1.073 -1.323 3.272 1.00 0.00 O
24
+ HETATM 23 C20 UNL 1 1.215 -0.094 -0.009 1.00 0.00 C
25
+ HETATM 24 N3 UNL 1 3.987 0.461 -0.744 1.00 0.00 N1+
26
+ HETATM 25 C21 UNL 1 3.293 1.304 0.210 1.00 0.00 C
27
+ HETATM 26 C22 UNL 1 1.215 -1.568 0.256 1.00 0.00 C
28
+ HETATM 27 H1 UNL 1 -1.683 4.302 0.519 1.00 0.00 H
29
+ HETATM 28 H2 UNL 1 -3.811 -3.677 -1.523 1.00 0.00 H
30
+ HETATM 29 H3 UNL 1 -2.502 -3.229 2.462 1.00 0.00 H
31
+ HETATM 30 H4 UNL 1 1.044 -0.523 -2.091 1.00 0.00 H
32
+ HETATM 31 H5 UNL 1 1.491 1.172 -1.774 1.00 0.00 H
33
+ HETATM 32 H6 UNL 1 3.350 0.063 -2.661 1.00 0.00 H
34
+ HETATM 33 H7 UNL 1 3.247 -1.347 -1.599 1.00 0.00 H
35
+ HETATM 34 H8 UNL 1 1.732 1.243 1.652 1.00 0.00 H
36
+ HETATM 35 H9 UNL 1 2.731 -0.218 1.573 1.00 0.00 H
37
+ HETATM 36 H10 UNL 1 4.346 -1.092 0.685 1.00 0.00 H
38
+ HETATM 37 H11 UNL 1 5.510 0.254 0.627 1.00 0.00 H
39
+ HETATM 38 H12 UNL 1 5.557 -0.928 -0.705 1.00 0.00 H
40
+ HETATM 39 H13 UNL 1 -4.169 4.448 0.222 1.00 0.00 H
41
+ HETATM 40 H14 UNL 1 -5.394 2.453 -0.478 1.00 0.00 H
42
+ HETATM 41 H15 UNL 1 -4.167 0.342 -0.877 1.00 0.00 H
43
+ HETATM 42 H16 UNL 1 0.605 2.628 0.026 1.00 0.00 H
44
+ HETATM 43 H17 UNL 1 -0.951 0.062 -1.646 1.00 0.00 H
45
+ HETATM 44 H18 UNL 1 -0.211 0.964 2.394 1.00 0.00 H
46
+ HETATM 45 H19 UNL 1 -2.670 -1.600 -2.187 1.00 0.00 H
47
+ HETATM 46 H20 UNL 1 -3.730 -4.492 0.793 1.00 0.00 H
48
+ HETATM 47 H21 UNL 1 4.639 1.117 -1.271 1.00 0.00 H
49
+ HETATM 48 H22 UNL 1 2.935 2.185 -0.335 1.00 0.00 H
50
+ HETATM 49 H23 UNL 1 4.029 1.625 0.980 1.00 0.00 H
51
+ HETATM 50 H24 UNL 1 1.008 -1.848 1.299 1.00 0.00 H
52
+ HETATM 51 H25 UNL 1 0.533 -2.117 -0.457 1.00 0.00 H
53
+ HETATM 52 H26 UNL 1 2.229 -2.016 0.035 1.00 0.00 H
54
+ CONECT 1 2 2 13 27
55
+ CONECT 2 3 16
56
+ CONECT 3 15 15 17
57
+ CONECT 4 16 17 18 23
58
+ CONECT 5 18 19 22 22
59
+ CONECT 6 17 19 19 20
60
+ CONECT 7 20 20 21 28
61
+ CONECT 8 19 21 21 29
62
+ CONECT 9 10 23 30 31
63
+ CONECT 10 24 32 33
64
+ CONECT 11 23 25 34 35
65
+ CONECT 12 24 36 37 38
66
+ CONECT 13 14 14 39
67
+ CONECT 14 15 40
68
+ CONECT 15 41
69
+ CONECT 16 42
70
+ CONECT 17 43
71
+ CONECT 18 44
72
+ CONECT 20 45
73
+ CONECT 21 46
74
+ CONECT 23 26
75
+ CONECT 24 25 47
76
+ CONECT 25 48 49
77
+ CONECT 26 50 51 52
78
+ END
6quw/6quw_ligand.mol2 ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:11:30 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6quw_ligand
7
+ 37 39 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C4 -6.5300 -17.0560 28.1830 C.3 1 JJQ -0.0259
14
+ 2 C5 -5.1450 -19.1090 27.6330 C.3 1 JJQ -0.0835
15
+ 3 C6 -4.9670 -16.8680 25.0350 C.ar 1 JJQ 0.0748
16
+ 4 C7 -7.0480 -18.0650 25.1530 C.ar 1 JJQ -0.0502
17
+ 5 C10 -3.0890 -16.8950 28.1150 C.3 1 JJQ -0.0045
18
+ 6 C13 -7.2420 -17.8190 23.8000 C.ar 1 JJQ -0.0454
19
+ 7 C15 -7.3700 -14.9060 27.1030 C.3 1 JJQ -0.0199
20
+ 8 C1 -5.4660 -17.6650 27.2210 C.3 1 JJQ 0.0232
21
+ 9 C11 -6.3950 -15.5250 28.1040 C.3 1 JJQ -0.0245
22
+ 10 C12 -5.1490 -16.6230 23.6730 C.ar 1 JJQ -0.0108
23
+ 11 C14 -6.6500 -14.8730 29.4610 C.3 1 JJQ -0.0199
24
+ 12 C16 -6.2970 -17.1150 23.0650 C.ar 1 JJQ -0.0448
25
+ 13 C2 -5.8920 -17.6050 25.7730 C.ar 1 JJQ -0.0230
26
+ 14 C3 -4.2970 -16.6160 27.2380 C.3 1 JJQ 0.0516
27
+ 15 N8 -3.9060 -16.4610 25.8410 N.pl3 1 JJQ -0.2660
28
+ 16 N9 -4.9460 -15.3090 27.6590 N.4 1 JJQ 0.2451
29
+ 17 H1 -6.3462 -17.3975 29.2124 H 1 JJQ 0.0209
30
+ 18 H2 -7.5393 -17.3615 27.8700 H 1 JJQ 0.0209
31
+ 19 H3 -6.0579 -19.7196 27.5707 H 1 JJQ 0.0116
32
+ 20 H4 -4.7663 -19.1201 28.6657 H 1 JJQ 0.0116
33
+ 21 H5 -4.3810 -19.5218 26.9578 H 1 JJQ 0.0116
34
+ 22 H6 -7.7922 -18.6114 25.7211 H 1 JJQ 0.0786
35
+ 23 H7 -2.3659 -16.0720 28.0157 H 1 JJQ 0.0300
36
+ 24 H8 -2.6172 -17.8375 27.8003 H 1 JJQ 0.0300
37
+ 25 H9 -3.4088 -16.9775 29.1642 H 1 JJQ 0.0300
38
+ 26 H10 -8.1403 -18.1802 23.3126 H 1 JJQ 0.0608
39
+ 27 H11 -7.2332 -13.8147 27.0848 H 1 JJQ 0.0287
40
+ 28 H12 -8.4019 -15.1412 27.4027 H 1 JJQ 0.0287
41
+ 29 H13 -7.1766 -15.3164 26.1009 H 1 JJQ 0.0287
42
+ 30 H14 -4.4143 -16.0639 23.1050 H 1 JJQ 0.0603
43
+ 31 H15 -5.9621 -15.2977 30.2069 H 1 JJQ 0.0287
44
+ 32 H16 -7.6885 -15.0631 29.7698 H 1 JJQ 0.0287
45
+ 33 H17 -6.4831 -13.7885 29.3839 H 1 JJQ 0.0287
46
+ 34 H18 -6.4569 -16.9477 22.0060 H 1 JJQ 0.0812
47
+ 35 H19 -2.9975 -16.1095 25.5065 H 1 JJQ 0.1970
48
+ 36 H20 -4.4227 -14.9144 28.4248 H 1 JJQ 0.2036
49
+ 37 H21 -4.9338 -14.6703 26.8793 H 1 JJQ 0.2036
50
+ @<TRIPOS>BOND
51
+ 1 8 1 1
52
+ 2 1 9 1
53
+ 3 8 2 1
54
+ 4 3 10 ar
55
+ 5 13 3 ar
56
+ 6 3 15 1
57
+ 7 4 6 ar
58
+ 8 13 4 ar
59
+ 9 14 5 1
60
+ 10 6 12 ar
61
+ 11 9 7 1
62
+ 12 8 13 1
63
+ 13 8 14 1
64
+ 14 9 11 1
65
+ 15 9 16 1
66
+ 16 10 12 ar
67
+ 17 14 15 1
68
+ 18 14 16 1
69
+ 19 1 17 1
70
+ 20 1 18 1
71
+ 21 2 19 1
72
+ 22 2 20 1
73
+ 23 2 21 1
74
+ 24 4 22 1
75
+ 25 5 23 1
76
+ 26 5 24 1
77
+ 27 5 25 1
78
+ 28 6 26 1
79
+ 29 7 27 1
80
+ 30 7 28 1
81
+ 31 7 29 1
82
+ 32 10 30 1
83
+ 33 11 31 1
84
+ 34 11 32 1
85
+ 35 11 33 1
86
+ 36 12 34 1
87
+ 37 15 35 1
88
+ 38 16 36 1
89
+ 39 16 37 1
90
+ @<TRIPOS>SUBSTRUCTURE
91
+ 1 JJQ 1
92
+
6quw/6quw_ligand.sdf ADDED
@@ -0,0 +1,82 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6quw_ligand
2
+ -I-interpret-
3
+
4
+ 37 39 0 0 0 0 0 0 0 0999 V2000
5
+ -6.5300 -17.0560 28.1830 C 0 0 0 0 0
6
+ -5.1450 -19.1090 27.6330 C 0 0 0 0 0
7
+ -4.9670 -16.8680 25.0350 C 0 0 0 0 0
8
+ -7.0480 -18.0650 25.1530 C 0 0 0 0 0
9
+ -3.0890 -16.8950 28.1150 C 0 0 0 0 0
10
+ -7.2420 -17.8190 23.8000 C 0 0 0 0 0
11
+ -7.3700 -14.9060 27.1030 C 0 0 0 0 0
12
+ -5.4660 -17.6650 27.2210 C 0 0 0 0 0
13
+ -6.3950 -15.5250 28.1040 C 0 0 0 0 0
14
+ -5.1490 -16.6230 23.6730 C 0 0 0 0 0
15
+ -6.6500 -14.8730 29.4610 C 0 0 0 0 0
16
+ -6.2970 -17.1150 23.0650 C 0 0 0 0 0
17
+ -5.8920 -17.6050 25.7730 C 0 0 0 0 0
18
+ -4.2970 -16.6160 27.2380 C 0 0 0 0 0
19
+ -3.9060 -16.4610 25.8410 N 0 0 0 0 0
20
+ -4.9460 -15.3090 27.6590 N 0 3 0 0 0
21
+ -6.3669 -17.4028 29.2034 H 0 0 0 0 0
22
+ -7.5330 -17.3676 27.8914 H 0 0 0 0 0
23
+ -6.0315 -19.7290 27.5000 H 0 0 0 0 0
24
+ -4.3358 -19.4916 27.0110 H 0 0 0 0 0
25
+ -4.8406 -19.1278 28.6795 H 0 0 0 0 0
26
+ -7.7963 -18.6144 25.7242 H 0 0 0 0 0
27
+ -3.4072 -16.9765 29.1543 H 0 0 0 0 0
28
+ -2.6225 -17.8291 27.8022 H 0 0 0 0 0
29
+ -2.3733 -16.0789 28.0158 H 0 0 0 0 0
30
+ -8.1453 -18.1822 23.3099 H 0 0 0 0 0
31
+ -8.3927 -15.0948 27.4296 H 0 0 0 0 0
32
+ -7.1977 -13.8312 27.0470 H 0 0 0 0 0
33
+ -7.2126 -15.3521 26.1210 H 0 0 0 0 0
34
+ -4.4102 -16.0608 23.1019 H 0 0 0 0 0
35
+ -5.9849 -15.3123 30.2044 H 0 0 0 0 0
36
+ -6.4603 -13.8020 29.3895 H 0 0 0 0 0
37
+ -7.6863 -15.0409 29.7543 H 0 0 0 0 0
38
+ -6.4578 -16.9468 22.0001 H 0 0 0 0 0
39
+ -3.0063 -16.1129 25.5098 H 0 0 0 0 0
40
+ -4.4198 -14.9231 28.4429 H 0 0 0 0 0
41
+ -4.9428 -14.6733 26.8613 H 0 0 0 0 0
42
+ 8 1 1 0 0 0
43
+ 1 9 1 0 0 0
44
+ 8 2 1 0 0 0
45
+ 3 10 4 0 0 0
46
+ 13 3 4 0 0 0
47
+ 3 15 1 0 0 0
48
+ 4 6 4 0 0 0
49
+ 13 4 4 0 0 0
50
+ 14 5 1 0 0 0
51
+ 6 12 4 0 0 0
52
+ 9 7 1 0 0 0
53
+ 8 13 1 0 0 0
54
+ 8 14 1 0 0 0
55
+ 9 11 1 0 0 0
56
+ 9 16 1 0 0 0
57
+ 10 12 4 0 0 0
58
+ 14 15 1 0 0 0
59
+ 14 16 1 0 0 0
60
+ 1 17 1 0 0 0
61
+ 1 18 1 0 0 0
62
+ 2 19 1 0 0 0
63
+ 2 20 1 0 0 0
64
+ 2 21 1 0 0 0
65
+ 4 22 1 0 0 0
66
+ 5 23 1 0 0 0
67
+ 5 24 1 0 0 0
68
+ 5 25 1 0 0 0
69
+ 6 26 1 0 0 0
70
+ 7 27 1 0 0 0
71
+ 7 28 1 0 0 0
72
+ 7 29 1 0 0 0
73
+ 10 30 1 0 0 0
74
+ 11 31 1 0 0 0
75
+ 11 32 1 0 0 0
76
+ 11 33 1 0 0 0
77
+ 12 34 1 0 0 0
78
+ 15 35 1 0 0 0
79
+ 16 36 1 0 0 0
80
+ 16 37 1 0 0 0
81
+ M END
82
+ $$$$
6quw/6quw_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quw/6quw_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quw/6quw_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6quw/6quw_rdkit_ligand.pdb ADDED
@@ -0,0 +1,54 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6quw_ligand
2
+ HETATM 1 C1 UNL 1 -0.805 0.152 -1.164 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 0.373 -2.029 -1.157 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 1.911 0.055 0.883 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 2.192 0.527 -1.443 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -0.954 -2.030 1.389 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 3.386 1.169 -1.206 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -1.853 2.197 -0.238 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 0.178 -0.743 -0.452 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 -1.729 0.677 -0.113 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 3.115 0.701 1.130 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 -3.140 0.129 -0.292 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 3.836 1.249 0.086 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 1.481 -0.013 -0.411 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 -0.274 -0.801 0.943 1.00 0.00 C
16
+ HETATM 15 N1 UNL 1 0.951 -0.598 1.708 1.00 0.00 N
17
+ HETATM 16 N2 UNL 1 -1.173 0.336 1.162 1.00 0.00 N1+
18
+ HETATM 17 H1 UNL 1 -0.304 1.007 -1.668 1.00 0.00 H
19
+ HETATM 18 H2 UNL 1 -1.374 -0.401 -1.912 1.00 0.00 H
20
+ HETATM 19 H3 UNL 1 1.109 -1.858 -1.993 1.00 0.00 H
21
+ HETATM 20 H4 UNL 1 0.771 -2.844 -0.556 1.00 0.00 H
22
+ HETATM 21 H5 UNL 1 -0.566 -2.337 -1.668 1.00 0.00 H
23
+ HETATM 22 H6 UNL 1 1.826 0.457 -2.458 1.00 0.00 H
24
+ HETATM 23 H7 UNL 1 -0.791 -2.929 0.795 1.00 0.00 H
25
+ HETATM 24 H8 UNL 1 -2.070 -1.878 1.435 1.00 0.00 H
26
+ HETATM 25 H9 UNL 1 -0.666 -2.267 2.444 1.00 0.00 H
27
+ HETATM 26 H10 UNL 1 3.956 1.600 -2.020 1.00 0.00 H
28
+ HETATM 27 H11 UNL 1 -2.501 2.500 0.635 1.00 0.00 H
29
+ HETATM 28 H12 UNL 1 -2.432 2.400 -1.149 1.00 0.00 H
30
+ HETATM 29 H13 UNL 1 -0.879 2.699 -0.186 1.00 0.00 H
31
+ HETATM 30 H14 UNL 1 3.455 0.755 2.150 1.00 0.00 H
32
+ HETATM 31 H15 UNL 1 -3.563 -0.101 0.693 1.00 0.00 H
33
+ HETATM 32 H16 UNL 1 -3.083 -0.748 -0.964 1.00 0.00 H
34
+ HETATM 33 H17 UNL 1 -3.808 0.867 -0.771 1.00 0.00 H
35
+ HETATM 34 H18 UNL 1 4.777 1.742 0.358 1.00 0.00 H
36
+ HETATM 35 H19 UNL 1 1.126 -0.872 2.693 1.00 0.00 H
37
+ HETATM 36 H20 UNL 1 -1.910 0.085 1.829 1.00 0.00 H
38
+ HETATM 37 H21 UNL 1 -0.565 1.144 1.487 1.00 0.00 H
39
+ CONECT 1 8 9 17 18
40
+ CONECT 2 8 19 20 21
41
+ CONECT 3 10 10 13 15
42
+ CONECT 4 6 13 13 22
43
+ CONECT 5 14 23 24 25
44
+ CONECT 6 12 12 26
45
+ CONECT 7 9 27 28 29
46
+ CONECT 8 13 14
47
+ CONECT 9 11 16
48
+ CONECT 10 12 30
49
+ CONECT 11 31 32 33
50
+ CONECT 12 34
51
+ CONECT 14 15 16
52
+ CONECT 15 35
53
+ CONECT 16 36 37
54
+ END
6qw8/6qw8_ligand.mol2 ADDED
@@ -0,0 +1,109 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:10:21 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qw8_ligand
7
+ 46 47 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C4 -7.9090 -1.1160 10.4630 C.3 1 MK7 -0.0025
14
+ 2 C5 -2.5530 4.0920 10.6620 C.3 1 MK7 -0.0315
15
+ 3 C6 -4.9030 4.6440 11.4690 C.3 1 MK7 -0.0315
16
+ 4 C7 -7.5420 -1.2440 12.9580 C.3 1 MK7 0.0807
17
+ 5 C8 -5.9290 -3.0810 13.1500 C.2 1 MK7 0.1743
18
+ 6 C10 -5.5990 -1.3110 11.5210 C.3 1 MK7 0.1342
19
+ 7 C1 -6.4170 -1.4810 10.2420 C.3 1 MK7 -0.0069
20
+ 8 C2 -3.0720 2.7190 10.2070 C.3 1 MK7 0.0106
21
+ 9 C3 -5.3500 3.1990 11.1070 C.3 1 MK7 0.0106
22
+ 10 C9 -4.1510 2.2120 11.1690 C.3 1 MK7 0.0517
23
+ 11 C11 -5.2500 0.1420 11.7620 C.2 1 MK7 0.2023
24
+ 12 C12 -8.4730 -1.6670 11.8170 C.3 1 MK7 0.0316
25
+ 13 N13 -3.6550 5.1100 10.7340 N.4 1 MK7 0.2271
26
+ 14 N14 -4.5290 0.8320 10.8940 N.am 1 MK7 -0.2816
27
+ 15 N15 -8.4190 -3.1750 11.7500 N.4 1 MK7 0.4138
28
+ 16 N16 -6.2900 -1.8920 12.6260 N.am 1 MK7 -0.2479
29
+ 17 O17 -7.9120 -5.5930 9.5770 O.co2 1 MK7 -0.4578
30
+ 18 O18 -4.9720 -3.7350 12.6630 O.2 1 MK7 -0.3828
31
+ 19 O19 -5.5810 0.7250 12.8220 O.2 1 MK7 -0.3945
32
+ 20 O20 -8.1790 -5.2740 11.9450 O.co2 1 MK7 -0.4578
33
+ 21 O21 -10.1280 -5.6630 10.6570 O.co2 1 MK7 -0.4578
34
+ 22 O22 -8.9100 -3.6120 10.5450 O.3 1 MK7 -0.2010
35
+ 23 S23 -8.7710 -5.2380 10.6530 S.o2 1 MK7 -0.0327
36
+ 24 H1 -8.5006 -1.5387 9.6376 H 1 MK7 0.0323
37
+ 25 H2 -8.0072 -0.0204 10.4610 H 1 MK7 0.0323
38
+ 26 H3 -1.7932 4.4401 9.9469 H 1 MK7 0.0814
39
+ 27 H4 -2.0986 3.9884 11.6584 H 1 MK7 0.0814
40
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+ 44 H21 -4.2399 0.4015 10.0390 H 1 MK7 0.1855
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+ @<TRIPOS>BOND
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+ 1 MK7 1
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+
6qw8/6qw8_ligand.sdf ADDED
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1
+ 6qw8_ligand
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+ -I-interpret-
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+ 21 47 1 0 0 0
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+ M END
101
+ $$$$
6qw8/6qw8_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qw8/6qw8_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qw8/6qw8_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qw8/6qw8_rdkit_ligand.pdb ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qw8_ligand
2
+ HETATM 1 C1 UNL 1 3.049 -1.144 -0.351 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -4.690 -0.451 0.894 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -5.039 1.147 -0.875 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 2.080 0.214 1.576 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -0.057 -0.856 2.151 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 0.698 -0.647 -0.215 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 1.680 -1.750 -0.562 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 -4.161 -1.184 -0.307 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 -3.628 0.958 -1.337 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 -3.105 -0.435 -1.055 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 -0.603 -0.726 -0.827 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 3.271 -0.379 0.878 1.00 0.00 C
14
+ HETATM 13 N1 UNL 1 -5.114 0.867 0.544 1.00 0.00 N1+
15
+ HETATM 14 N2 UNL 1 -1.854 -0.301 -0.359 1.00 0.00 N
16
+ HETATM 15 N3 UNL 1 4.163 0.749 0.578 1.00 0.00 N1+
17
+ HETATM 16 N4 UNL 1 0.843 -0.451 1.169 1.00 0.00 N
18
+ HETATM 17 O1 UNL 1 5.956 0.527 -2.274 1.00 0.00 O
19
+ HETATM 18 O2 UNL 1 0.198 -0.617 3.384 1.00 0.00 O
20
+ HETATM 19 O3 UNL 1 -0.634 -1.270 -1.990 1.00 0.00 O
21
+ HETATM 20 O4 UNL 1 5.206 2.563 -1.119 1.00 0.00 O
22
+ HETATM 21 O5 UNL 1 7.582 1.707 -0.594 1.00 0.00 O
23
+ HETATM 22 O6 UNL 1 5.401 0.349 0.292 1.00 0.00 O
24
+ HETATM 23 S1 UNL 1 5.985 1.284 -0.976 1.00 0.00 S
25
+ HETATM 24 H1 UNL 1 3.220 -0.491 -1.259 1.00 0.00 H
26
+ HETATM 25 H2 UNL 1 3.797 -1.958 -0.467 1.00 0.00 H
27
+ HETATM 26 H3 UNL 1 -4.003 -0.463 1.757 1.00 0.00 H
28
+ HETATM 27 H4 UNL 1 -5.613 -1.012 1.226 1.00 0.00 H
29
+ HETATM 28 H5 UNL 1 -5.780 0.582 -1.470 1.00 0.00 H
30
+ HETATM 29 H6 UNL 1 -5.291 2.221 -0.999 1.00 0.00 H
31
+ HETATM 30 H7 UNL 1 1.950 1.290 1.343 1.00 0.00 H
32
+ HETATM 31 H8 UNL 1 2.240 0.131 2.665 1.00 0.00 H
33
+ HETATM 32 H9 UNL 1 -0.997 -1.376 2.011 1.00 0.00 H
34
+ HETATM 33 H10 UNL 1 1.176 0.281 -0.720 1.00 0.00 H
35
+ HETATM 34 H11 UNL 1 1.589 -2.590 0.176 1.00 0.00 H
36
+ HETATM 35 H12 UNL 1 1.593 -2.093 -1.589 1.00 0.00 H
37
+ HETATM 36 H13 UNL 1 -5.019 -1.301 -1.006 1.00 0.00 H
38
+ HETATM 37 H14 UNL 1 -3.864 -2.219 -0.041 1.00 0.00 H
39
+ HETATM 38 H15 UNL 1 -3.004 1.742 -0.832 1.00 0.00 H
40
+ HETATM 39 H16 UNL 1 -3.593 1.210 -2.417 1.00 0.00 H
41
+ HETATM 40 H17 UNL 1 -2.990 -0.931 -2.046 1.00 0.00 H
42
+ HETATM 41 H18 UNL 1 3.861 -1.018 1.599 1.00 0.00 H
43
+ HETATM 42 H19 UNL 1 -4.504 1.548 1.028 1.00 0.00 H
44
+ HETATM 43 H20 UNL 1 -6.101 1.072 0.854 1.00 0.00 H
45
+ HETATM 44 H21 UNL 1 -1.882 0.170 0.568 1.00 0.00 H
46
+ HETATM 45 H22 UNL 1 3.730 1.357 -0.148 1.00 0.00 H
47
+ HETATM 46 H23 UNL 1 4.198 1.329 1.467 1.00 0.00 H
48
+ HETATM 47 H24 UNL 1 8.061 0.873 -0.325 1.00 0.00 H
49
+ CONECT 1 7 12 24 25
50
+ CONECT 2 8 13 26 27
51
+ CONECT 3 9 13 28 29
52
+ CONECT 4 12 16 30 31
53
+ CONECT 5 16 18 18 32
54
+ CONECT 6 7 11 16 33
55
+ CONECT 7 34 35
56
+ CONECT 8 10 36 37
57
+ CONECT 9 10 38 39
58
+ CONECT 10 14 40
59
+ CONECT 11 14 19 19
60
+ CONECT 12 15 41
61
+ CONECT 13 42 43
62
+ CONECT 14 44
63
+ CONECT 15 22 45 46
64
+ CONECT 17 23 23
65
+ CONECT 20 23 23
66
+ CONECT 21 23 47
67
+ CONECT 22 23
68
+ END