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THU-ATOM
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PDBbind

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linbc20 commited on
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1 Parent(s): 4fb9f24

Add batch 59

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  1. 1a4w/1a4w_ligand.mol2 +183 -0
  2. 1a4w/1a4w_ligand.sdf +171 -0
  3. 1a4w/1a4w_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1a4w/1a4w_protein_processed_fix.pdb +0 -0
  5. 1fsw/1fsw_ligand.mol2 +62 -0
  6. 1fsw/1fsw_ligand.sdf +52 -0
  7. 1fsw/1fsw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1fsw/1fsw_protein_processed_fix.pdb +0 -0
  9. 1fsy/1fsy_ligand.mol2 +81 -0
  10. 1fsy/1fsy_ligand.sdf +71 -0
  11. 1fsy/1fsy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1fsy/1fsy_protein_processed_fix.pdb +0 -0
  13. 1ikx/1ikx_ligand.mol2 +80 -0
  14. 1ikx/1ikx_ligand.sdf +70 -0
  15. 1ikx/1ikx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1ikx/1ikx_protein_processed_fix.pdb +0 -0
  17. 1tmm/1tmm_ligand.mol2 +108 -0
  18. 1tmm/1tmm_ligand.sdf +106 -0
  19. 1tmm/1tmm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1tmm/1tmm_protein_processed_fix.pdb +0 -0
  21. 1uho/1uho_ligand.mol2 +155 -0
  22. 1uho/1uho_ligand.sdf +143 -0
  23. 1uho/1uho_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1uho/1uho_protein_processed_fix.pdb +0 -0
  25. 2cll/2cll_ligand.mol2 +78 -0
  26. 2cll/2cll_ligand.sdf +72 -0
  27. 2cll/2cll_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 2cll/2cll_protein_processed_fix.pdb +0 -0
  29. 2g72/2g72_ligand.mol2 +100 -0
  30. 2g72/2g72_ligand.sdf +90 -0
  31. 2g72/2g72_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 2g72/2g72_protein_processed_fix.pdb +0 -0
  33. 2hwh/2hwh_ligand.mol2 +98 -0
  34. 2hwh/2hwh_ligand.sdf +88 -0
  35. 2hwh/2hwh_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 2hwh/2hwh_protein_processed_fix.pdb +0 -0
  37. 2jdm/2jdm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2jdm/2jdm_protein_processed_fix.pdb +0 -0
  39. 2nd0/2nd0_ligand.mol2 +647 -0
  40. 2nd0/2nd0_ligand.sdf +639 -0
  41. 2nd0/2nd0_protein_esmfold_aligned_tr_fix.pdb +684 -0
  42. 2nd0/2nd0_protein_processed_fix.pdb +0 -0
  43. 2on6/2on6_ligand.mol2 +86 -0
  44. 2on6/2on6_ligand.sdf +74 -0
  45. 2on6/2on6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2on6/2on6_protein_processed_fix.pdb +0 -0
  47. 2pj7/2pj7_ligand.mol2 +129 -0
  48. 2pj7/2pj7_ligand.sdf +123 -0
  49. 2pj7/2pj7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2pj7/2pj7_protein_processed_fix.pdb +0 -0
1a4w/1a4w_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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The diff for this file is too large to render. See raw diff
 
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2cll/2cll_ligand.mol2 ADDED
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2cll/2cll_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2cll/2cll_protein_processed_fix.pdb ADDED
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2g72/2g72_protein_processed_fix.pdb ADDED
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2hwh/2hwh_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2hwh/2hwh_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2jdm/2jdm_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2jdm/2jdm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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97
+ 85 O 14.3350 1.0130 0.5300 O.2 1 LYS -0.3942
98
+ 86 CB 11.4120 0.6040 0.2290 C.3 1 LYS -0.0122
99
+ 87 CG 11.1090 -0.3370 -0.9260 C.3 1 LYS -0.0440
100
+ 88 CD 10.4790 0.3860 -2.1010 C.3 1 LYS -0.0124
101
+ 89 CE 11.5030 1.2080 -2.8680 C.3 1 LYS -0.0354
102
+ 90 NZ 12.5730 0.3590 -3.4590 N.4 1 LYS 0.2185
103
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104
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105
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106
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107
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108
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109
+ 97 CD 13.7440 -2.5350 1.0030 C.3 1 PRO 0.0369
110
+ 98 N 16.8440 -0.2860 -1.8050 N.am 1 LEU -0.2637
111
+ 99 CA 17.0640 0.3090 -3.1250 C.3 1 LEU 0.1314
112
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113
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114
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115
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116
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117
+ 105 CD2 19.0290 -1.7530 -4.2000 C.3 1 LEU -0.0625
118
+ 106 N 16.8410 2.7520 -3.0490 N.am 1 PRO -0.2498
119
+ 107 CA 16.1680 4.0380 -3.2150 C.3 1 PRO 0.1338
120
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121
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122
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123
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124
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125
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126
+ 114 CA 14.7470 4.1430 -6.7360 C.3 1 LEU 0.1312
127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
+ 136 NE2 19.5600 8.7090 -2.8270 N.am 1 GLN -0.3009
149
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150
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151
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152
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153
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154
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155
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156
+ 144 N 15.9050 14.9100 -6.6770 N.am 1 GLY -0.2722
157
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158
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159
+ 147 O 15.6790 17.6200 -6.9750 O.co2 1 GLY -0.5669
160
+ 148 OXT 17.7140 17.9130 -6.2220 O.co2 1 GLY -0.5669
161
+ 149 H1 -8.2748 12.9664 13.8557 H 1 ASN 0.2017
162
+ 150 H2 -8.5990 11.4596 13.2781 H 1 ASN 0.2017
163
+ 151 H3 -7.2697 11.7134 14.2150 H 1 ASN 0.2017
164
+ 152 H4 -8.5967 12.2481 16.1131 H 1 ASN 0.1125
165
+ 153 H5 -11.0718 11.7783 15.9369 H 1 ASN 0.0585
166
+ 154 H6 -10.8671 11.6886 14.1546 H 1 ASN 0.0585
167
+ 155 H7 -11.7713 15.0937 14.2093 H 1 ASN 0.1814
168
+ 156 H8 -12.2795 13.4728 13.8708 H 1 ASN 0.1814
169
+ 157 H9 -9.9203 9.7531 13.8837 H 1 LEU 0.1885
170
+ 158 H10 -9.7561 7.7186 15.9472 H 1 LEU 0.0800
171
+ 159 H11 -10.3848 6.1644 14.1036 H 1 LEU 0.0315
172
+ 160 H12 -10.2490 7.5298 12.9443 H 1 LEU 0.0315
173
+ 161 H13 -12.0806 8.6949 14.0954 H 1 LEU 0.0298
174
+ 162 H14 -13.9038 7.1637 13.4208 H 1 LEU 0.0232
175
+ 163 H15 -12.7271 5.8093 13.3334 H 1 LEU 0.0232
176
+ 164 H16 -12.5787 7.2021 12.2086 H 1 LEU 0.0232
177
+ 165 H17 -11.7031 7.7786 16.3635 H 1 LEU 0.0232
178
+ 166 H18 -12.2665 6.1680 15.8022 H 1 LEU 0.0232
179
+ 167 H19 -13.4037 7.5583 15.8287 H 1 LEU 0.0232
180
+ 168 H20 -8.0037 6.6696 16.5155 H 1 GLN 0.1883
181
+ 169 H21 -5.4857 6.9086 15.1857 H 1 GLN 0.0801
182
+ 170 H22 -4.7203 5.1807 16.7537 H 1 GLN 0.0337
183
+ 171 H23 -6.4214 4.7913 17.1796 H 1 GLN 0.0337
184
+ 172 H24 -6.7122 7.0396 18.1152 H 1 GLN 0.0504
185
+ 173 H25 -5.0224 7.4525 17.6672 H 1 GLN 0.0504
186
+ 174 H26 -3.5305 5.7735 20.3662 H 1 GLN 0.1814
187
+ 175 H27 -3.3020 6.5259 18.8229 H 1 GLN 0.1814
188
+ 176 H28 -5.4089 6.2308 13.1117 H 1 SER 0.1884
189
+ 177 H29 -6.5400 3.5667 12.4425 H 1 SER 0.0823
190
+ 178 H30 -6.3625 4.2939 10.1081 H 1 SER 0.0606
191
+ 179 H31 -5.5165 5.7950 10.6157 H 1 SER 0.0606
192
+ 180 H32 -7.4395 6.3386 11.7807 H 1 SER 0.2097
193
+ 181 H33 -5.2755 2.2839 10.8552 H 1 SER 0.1884
194
+ 182 H34 -2.6703 1.7538 11.9837 H 1 SER 0.0823
195
+ 183 H35 -3.9201 -0.1462 11.3304 H 1 SER 0.0606
196
+ 184 H36 -2.6452 0.0095 10.0747 H 1 SER 0.0606
197
+ 185 H37 -4.2303 1.0756 8.7722 H 1 SER 0.2097
198
+ 186 H38 -1.8369 3.9530 11.4676 H 1 ILE 0.1883
199
+ 187 H39 -0.9970 4.4531 8.7297 H 1 ILE 0.0803
200
+ 188 H40 0.0561 5.6560 11.3393 H 1 ILE 0.0345
201
+ 189 H41 -1.4222 7.5659 10.8259 H 1 ILE 0.0267
202
+ 190 H42 -2.3407 6.0488 11.1114 H 1 ILE 0.0267
203
+ 191 H43 1.5898 5.9061 9.4114 H 1 ILE 0.0235
204
+ 192 H44 0.8845 7.4786 9.9176 H 1 ILE 0.0235
205
+ 193 H45 0.2591 6.6427 8.4558 H 1 ILE 0.0235
206
+ 194 H46 -3.2932 7.3393 9.2531 H 1 ILE 0.0230
207
+ 195 H47 -2.6342 5.7692 8.6811 H 1 ILE 0.0230
208
+ 196 H48 -1.7157 7.2863 8.3956 H 1 ILE 0.0230
209
+ 197 H49 0.6416 3.4992 7.7459 H 1 VAL 0.1883
210
+ 198 H50 2.3592 1.7315 9.4005 H 1 VAL 0.0802
211
+ 199 H51 2.1111 1.6731 6.3659 H 1 VAL 0.0343
212
+ 200 H52 2.7251 -0.7022 6.6543 H 1 VAL 0.0234
213
+ 201 H53 2.8294 -0.4541 8.4303 H 1 VAL 0.0234
214
+ 202 H54 3.9661 0.4036 7.3352 H 1 VAL 0.0234
215
+ 203 H55 -0.1590 1.5497 7.3285 H 1 VAL 0.0234
216
+ 204 H56 0.3626 0.1759 8.3614 H 1 VAL 0.0234
217
+ 205 H57 0.3450 -0.0004 6.5739 H 1 VAL 0.0234
218
+ 206 H58 4.5567 1.6702 9.1535 H 1 LYS 0.1883
219
+ 207 H59 5.8165 3.6371 7.3042 H 1 LYS 0.0800
220
+ 208 H60 6.6420 3.0578 10.1902 H 1 LYS 0.0312
221
+ 209 H61 5.8750 4.5700 9.5973 H 1 LYS 0.0312
222
+ 210 H62 7.7966 5.2153 8.4003 H 1 LYS 0.0269
223
+ 211 H63 8.4987 3.5629 8.4568 H 1 LYS 0.0269
224
+ 212 H64 9.7149 4.9230 10.0192 H 1 LYS 0.0317
225
+ 213 H65 8.6659 3.8132 10.9649 H 1 LYS 0.0317
226
+ 214 H66 8.5443 5.9962 11.9709 H 1 LYS 0.0813
227
+ 215 H67 6.9825 5.6755 11.1434 H 1 LYS 0.0813
228
+ 216 H68 7.7902 7.8857 10.7121 H 1 LYS 0.1994
229
+ 217 H69 7.7624 7.0151 9.3154 H 1 LYS 0.1994
230
+ 218 H70 9.1936 7.3089 10.0738 H 1 LYS 0.1994
231
+ 219 H71 7.2949 2.6197 6.0265 H 1 PHE 0.1885
232
+ 220 H72 8.6164 0.2119 7.1270 H 1 PHE 0.0823
233
+ 221 H73 6.5972 -0.5316 5.8358 H 1 PHE 0.0474
234
+ 222 H74 8.1665 -1.1762 5.2454 H 1 PHE 0.0474
235
+ 223 H75 9.1709 -0.1522 3.1570 H 1 PHE 0.0557
236
+ 224 H76 5.1554 0.6112 4.3833 H 1 PHE 0.0557
237
+ 225 H77 8.6080 0.5587 0.8721 H 1 PHE 0.0599
238
+ 226 H78 4.5906 1.3057 2.0918 H 1 PHE 0.0599
239
+ 227 H79 6.3162 1.2843 0.3343 H 1 PHE 0.0559
240
+ 228 H80 10.5716 -0.3188 6.1952 H 1 LYS 0.1883
241
+ 229 H81 11.8487 1.8882 4.6822 H 1 LYS 0.0800
242
+ 230 H82 13.9459 0.4268 5.1380 H 1 LYS 0.0312
243
+ 231 H83 12.8975 -0.4633 6.2936 H 1 LYS 0.0312
244
+ 232 H84 13.5403 2.5118 6.3969 H 1 LYS 0.0269
245
+ 233 H85 14.3043 1.2310 7.3983 H 1 LYS 0.0269
246
+ 234 H86 11.8980 0.6676 8.1632 H 1 LYS 0.0317
247
+ 235 H87 11.4496 2.2605 7.4644 H 1 LYS 0.0317
248
+ 236 H88 13.5068 1.7201 9.6521 H 1 LYS 0.0813
249
+ 237 H89 11.9037 2.5078 9.8424 H 1 LYS 0.0813
250
+ 238 H90 13.6823 4.1028 9.7455 H 1 LYS 0.1994
251
+ 239 H91 12.6943 4.2840 8.4415 H 1 LYS 0.1994
252
+ 240 H92 14.1633 3.5622 8.2671 H 1 LYS 0.1994
253
+ 241 H93 12.4111 1.6461 2.5829 H 1 LYS 0.1883
254
+ 242 H94 11.9906 -1.0730 1.4336 H 1 LYS 0.0800
255
+ 243 H95 11.9097 1.5012 -0.1677 H 1 LYS 0.0312
256
+ 244 H96 10.4645 0.8918 0.7079 H 1 LYS 0.0312
257
+ 245 H97 10.4159 -1.1162 -0.5762 H 1 LYS 0.0269
258
+ 246 H98 12.0478 -0.8038 -1.2588 H 1 LYS 0.0269
259
+ 247 H99 9.6913 1.0564 -1.7267 H 1 LYS 0.0317
260
+ 248 H100 10.0360 -0.3565 -2.7809 H 1 LYS 0.0317
261
+ 249 H101 11.9641 1.9319 -2.1800 H 1 LYS 0.0813
262
+ 250 H102 10.9902 1.7473 -3.6780 H 1 LYS 0.0813
263
+ 251 H103 13.2279 0.9418 -3.9566 H 1 LYS 0.1994
264
+ 252 H104 12.1617 -0.3044 -4.0968 H 1 LYS 0.1994
265
+ 253 H105 13.0542 -0.1353 -2.7240 H 1 LYS 0.1994
266
+ 254 H106 16.4144 -0.9251 0.5955 H 1 PRO 0.0802
267
+ 255 H107 16.8814 -3.1816 0.1522 H 1 PRO 0.0313
268
+ 256 H108 15.5663 -3.3123 -1.0644 H 1 PRO 0.0313
269
+ 257 H109 15.4278 -3.4759 1.9493 H 1 PRO 0.0287
270
+ 258 H110 14.6050 -4.4812 0.7087 H 1 PRO 0.0287
271
+ 259 H111 12.9659 -2.8629 0.2980 H 1 PRO 0.0524
272
+ 260 H112 13.3187 -2.4728 2.0155 H 1 PRO 0.0524
273
+ 261 H113 17.6035 -0.2964 -1.1545 H 1 LEU 0.1883
274
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275
+ 263 H115 16.9758 -0.2097 -5.2060 H 1 LEU 0.0315
276
+ 264 H116 15.6771 -0.9307 -4.1959 H 1 LEU 0.0315
277
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278
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279
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280
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281
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282
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283
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284
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285
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286
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287
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288
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289
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290
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291
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292
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293
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294
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295
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296
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297
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298
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299
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300
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301
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302
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303
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304
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305
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306
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307
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308
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309
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310
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311
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312
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313
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314
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315
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316
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317
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318
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319
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320
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321
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322
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323
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324
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325
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326
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327
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+ $$$$
2nd0/2nd0_protein_esmfold_aligned_tr_fix.pdb ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N SER A 1 -11.286 11.398 -11.259 1.00 0.00 N
3
+ ATOM 2 CA SER A 1 -12.214 12.074 -12.159 1.00 0.00 C
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+ ATOM 3 C SER A 1 -13.053 11.071 -12.943 1.00 0.00 C
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+ ATOM 4 CB SER A 1 -11.456 12.984 -13.127 1.00 0.00 C
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+ ATOM 5 O SER A 1 -14.250 11.284 -13.152 1.00 0.00 O
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+ ATOM 6 OG SER A 1 -11.144 12.294 -14.325 1.00 0.00 O
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+ ATOM 7 N GLU A 2 -13.949 10.090 -12.495 1.00 0.00 N
9
+ ATOM 8 CA GLU A 2 -15.015 9.109 -12.673 1.00 0.00 C
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+ ATOM 9 C GLU A 2 -14.594 7.736 -12.156 1.00 0.00 C
11
+ ATOM 10 CB GLU A 2 -15.419 9.015 -14.147 1.00 0.00 C
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+ ATOM 11 O GLU A 2 -15.405 7.008 -11.582 1.00 0.00 O
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+ ATOM 12 CG GLU A 2 -16.350 10.130 -14.602 1.00 0.00 C
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+ ATOM 13 CD GLU A 2 -16.797 9.986 -16.047 1.00 0.00 C
15
+ ATOM 14 OE1 GLU A 2 -16.358 9.030 -16.726 1.00 0.00 O
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+ ATOM 15 OE2 GLU A 2 -17.592 10.836 -16.505 1.00 0.00 O
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+ ATOM 16 N GLU A 3 -13.295 7.439 -12.315 1.00 0.00 N
18
+ ATOM 17 CA GLU A 3 -12.821 6.131 -11.869 1.00 0.00 C
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+ ATOM 18 C GLU A 3 -12.861 6.019 -10.348 1.00 0.00 C
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+ ATOM 19 CB GLU A 3 -11.401 5.871 -12.379 1.00 0.00 C
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+ ATOM 20 O GLU A 3 -13.193 4.962 -9.807 1.00 0.00 O
22
+ ATOM 21 CG GLU A 3 -11.349 5.297 -13.788 1.00 0.00 C
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+ ATOM 22 CD GLU A 3 -9.933 5.037 -14.277 1.00 0.00 C
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+ ATOM 23 OE1 GLU A 3 -8.969 5.373 -13.552 1.00 0.00 O
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+ ATOM 24 OE2 GLU A 3 -9.787 4.495 -15.395 1.00 0.00 O
26
+ ATOM 25 N GLU A 4 -12.684 7.047 -9.699 1.00 0.00 N
27
+ ATOM 26 CA GLU A 4 -12.736 7.065 -8.240 1.00 0.00 C
28
+ ATOM 27 C GLU A 4 -14.158 6.829 -7.737 1.00 0.00 C
29
+ ATOM 28 CB GLU A 4 -12.200 8.392 -7.698 1.00 0.00 C
30
+ ATOM 29 O GLU A 4 -14.358 6.182 -6.707 1.00 0.00 O
31
+ ATOM 30 CG GLU A 4 -10.693 8.404 -7.485 1.00 0.00 C
32
+ ATOM 31 CD GLU A 4 -10.151 9.775 -7.111 1.00 0.00 C
33
+ ATOM 32 OE1 GLU A 4 -10.957 10.682 -6.802 1.00 0.00 O
34
+ ATOM 33 OE2 GLU A 4 -8.912 9.943 -7.126 1.00 0.00 O
35
+ ATOM 34 N ASP A 5 -15.051 7.337 -8.445 1.00 0.00 N
36
+ ATOM 35 CA ASP A 5 -16.445 7.244 -8.026 1.00 0.00 C
37
+ ATOM 36 C ASP A 5 -16.961 5.812 -8.146 1.00 0.00 C
38
+ ATOM 37 CB ASP A 5 -17.320 8.189 -8.854 1.00 0.00 C
39
+ ATOM 38 O ASP A 5 -17.861 5.407 -7.408 1.00 0.00 O
40
+ ATOM 39 CG ASP A 5 -17.099 9.652 -8.514 1.00 0.00 C
41
+ ATOM 40 OD1 ASP A 5 -16.657 9.956 -7.384 1.00 0.00 O
42
+ ATOM 41 OD2 ASP A 5 -17.371 10.510 -9.381 1.00 0.00 O
43
+ ATOM 42 N LYS A 6 -16.205 5.032 -8.934 1.00 0.00 N
44
+ ATOM 43 CA LYS A 6 -16.690 3.673 -9.158 1.00 0.00 C
45
+ ATOM 44 C LYS A 6 -16.010 2.685 -8.215 1.00 0.00 C
46
+ ATOM 45 CB LYS A 6 -16.460 3.252 -10.611 1.00 0.00 C
47
+ ATOM 46 O LYS A 6 -16.434 1.532 -8.103 1.00 0.00 O
48
+ ATOM 47 CG LYS A 6 -17.290 4.034 -11.619 1.00 0.00 C
49
+ ATOM 48 CD LYS A 6 -17.066 3.528 -13.039 1.00 0.00 C
50
+ ATOM 49 CE LYS A 6 -17.837 4.358 -14.057 1.00 0.00 C
51
+ ATOM 50 NZ LYS A 6 -17.563 3.913 -15.456 1.00 0.00 N
52
+ ATOM 51 N CYS A 7 -15.020 3.184 -7.521 1.00 0.00 N
53
+ ATOM 52 CA CYS A 7 -14.285 2.238 -6.688 1.00 0.00 C
54
+ ATOM 53 C CYS A 7 -14.910 2.131 -5.303 1.00 0.00 C
55
+ ATOM 54 CB CYS A 7 -12.820 2.657 -6.566 1.00 0.00 C
56
+ ATOM 55 O CYS A 7 -15.180 3.146 -4.658 1.00 0.00 O
57
+ ATOM 56 SG CYS A 7 -11.736 1.349 -5.956 1.00 0.00 S
58
+ ATOM 57 N LYS A 8 -15.268 0.954 -4.990 1.00 0.00 N
59
+ ATOM 58 CA LYS A 8 -15.821 0.700 -3.663 1.00 0.00 C
60
+ ATOM 59 C LYS A 8 -14.812 1.047 -2.571 1.00 0.00 C
61
+ ATOM 60 CB LYS A 8 -16.253 -0.761 -3.531 1.00 0.00 C
62
+ ATOM 61 O LYS A 8 -13.664 0.600 -2.615 1.00 0.00 O
63
+ ATOM 62 CG LYS A 8 -17.024 -1.066 -2.255 1.00 0.00 C
64
+ ATOM 63 CD LYS A 8 -17.473 -2.521 -2.208 1.00 0.00 C
65
+ ATOM 64 CE LYS A 8 -18.210 -2.838 -0.913 1.00 0.00 C
66
+ ATOM 65 NZ LYS A 8 -18.611 -4.275 -0.842 1.00 0.00 N
67
+ ATOM 66 N PRO A 9 -15.184 1.878 -1.688 1.00 0.00 N
68
+ ATOM 67 CA PRO A 9 -14.295 2.202 -0.569 1.00 0.00 C
69
+ ATOM 68 C PRO A 9 -13.931 0.978 0.269 1.00 0.00 C
70
+ ATOM 69 CB PRO A 9 -15.113 3.202 0.252 1.00 0.00 C
71
+ ATOM 70 O PRO A 9 -14.694 0.010 0.318 1.00 0.00 O
72
+ ATOM 71 CG PRO A 9 -16.241 3.600 -0.643 1.00 0.00 C
73
+ ATOM 72 CD PRO A 9 -16.448 2.515 -1.661 1.00 0.00 C
74
+ ATOM 73 N MET A 10 -12.834 1.034 0.830 1.00 0.00 N
75
+ ATOM 74 CA MET A 10 -12.380 -0.025 1.725 1.00 0.00 C
76
+ ATOM 75 C MET A 10 -12.851 0.230 3.153 1.00 0.00 C
77
+ ATOM 76 CB MET A 10 -10.855 -0.142 1.691 1.00 0.00 C
78
+ ATOM 77 O MET A 10 -12.825 1.367 3.626 1.00 0.00 O
79
+ ATOM 78 CG MET A 10 -10.324 -1.415 2.329 1.00 0.00 C
80
+ ATOM 79 SD MET A 10 -8.509 -1.599 2.123 1.00 0.00 S
81
+ ATOM 80 CE MET A 10 -8.432 -2.092 0.380 1.00 0.00 C
82
+ ATOM 81 N SER A 11 -13.385 -0.842 3.784 1.00 0.00 N
83
+ ATOM 82 CA SER A 11 -13.733 -0.736 5.197 1.00 0.00 C
84
+ ATOM 83 C SER A 11 -12.485 -0.626 6.067 1.00 0.00 C
85
+ ATOM 84 CB SER A 11 -14.567 -1.941 5.636 1.00 0.00 C
86
+ ATOM 85 O SER A 11 -11.373 -0.885 5.602 1.00 0.00 O
87
+ ATOM 86 OG SER A 11 -13.765 -3.108 5.706 1.00 0.00 O
88
+ ATOM 87 N TYR A 12 -12.687 -0.235 7.246 1.00 0.00 N
89
+ ATOM 88 CA TYR A 12 -11.591 -0.157 8.207 1.00 0.00 C
90
+ ATOM 89 C TYR A 12 -10.883 -1.500 8.337 1.00 0.00 C
91
+ ATOM 90 CB TYR A 12 -12.108 0.295 9.576 1.00 0.00 C
92
+ ATOM 91 O TYR A 12 -9.651 -1.561 8.342 1.00 0.00 O
93
+ ATOM 92 CG TYR A 12 -11.037 0.363 10.637 1.00 0.00 C
94
+ ATOM 93 CD1 TYR A 12 -10.183 1.460 10.724 1.00 0.00 C
95
+ ATOM 94 CD2 TYR A 12 -10.876 -0.670 11.554 1.00 0.00 C
96
+ ATOM 95 CE1 TYR A 12 -9.193 1.526 11.698 1.00 0.00 C
97
+ ATOM 96 CE2 TYR A 12 -9.889 -0.614 12.534 1.00 0.00 C
98
+ ATOM 97 OH TYR A 12 -8.076 0.545 13.565 1.00 0.00 O
99
+ ATOM 98 CZ TYR A 12 -9.054 0.486 12.598 1.00 0.00 C
100
+ ATOM 99 N GLU A 13 -11.656 -2.607 8.438 1.00 0.00 N
101
+ ATOM 100 CA GLU A 13 -11.086 -3.943 8.586 1.00 0.00 C
102
+ ATOM 101 C GLU A 13 -10.268 -4.333 7.358 1.00 0.00 C
103
+ ATOM 102 CB GLU A 13 -12.190 -4.975 8.831 1.00 0.00 C
104
+ ATOM 103 O GLU A 13 -9.196 -4.930 7.484 1.00 0.00 O
105
+ ATOM 104 CG GLU A 13 -12.784 -4.917 10.231 1.00 0.00 C
106
+ ATOM 105 CD GLU A 13 -13.797 -3.797 10.408 1.00 0.00 C
107
+ ATOM 106 OE1 GLU A 13 -14.194 -3.173 9.398 1.00 0.00 O
108
+ ATOM 107 OE2 GLU A 13 -14.196 -3.540 11.566 1.00 0.00 O
109
+ ATOM 108 N GLU A 14 -10.688 -3.979 6.222 1.00 0.00 N
110
+ ATOM 109 CA GLU A 14 -9.945 -4.252 4.994 1.00 0.00 C
111
+ ATOM 110 C GLU A 14 -8.629 -3.479 4.963 1.00 0.00 C
112
+ ATOM 111 CB GLU A 14 -10.788 -3.902 3.766 1.00 0.00 C
113
+ ATOM 112 O GLU A 14 -7.601 -4.011 4.540 1.00 0.00 O
114
+ ATOM 113 CG GLU A 14 -11.929 -4.875 3.505 1.00 0.00 C
115
+ ATOM 114 CD GLU A 14 -12.791 -4.486 2.315 1.00 0.00 C
116
+ ATOM 115 OE1 GLU A 14 -13.327 -3.355 2.300 1.00 0.00 O
117
+ ATOM 116 OE2 GLU A 14 -12.933 -5.318 1.393 1.00 0.00 O
118
+ ATOM 117 N LYS A 15 -8.669 -2.222 5.452 1.00 0.00 N
119
+ ATOM 118 CA LYS A 15 -7.453 -1.413 5.495 1.00 0.00 C
120
+ ATOM 119 C LYS A 15 -6.428 -2.012 6.454 1.00 0.00 C
121
+ ATOM 120 CB LYS A 15 -7.778 0.024 5.904 1.00 0.00 C
122
+ ATOM 121 O LYS A 15 -5.234 -2.050 6.150 1.00 0.00 O
123
+ ATOM 122 CG LYS A 15 -8.515 0.819 4.837 1.00 0.00 C
124
+ ATOM 123 CD LYS A 15 -8.782 2.249 5.291 1.00 0.00 C
125
+ ATOM 124 CE LYS A 15 -9.685 2.988 4.312 1.00 0.00 C
126
+ ATOM 125 NZ LYS A 15 -10.009 4.365 4.789 1.00 0.00 N
127
+ ATOM 126 N ARG A 16 -6.963 -2.456 7.526 1.00 0.00 N
128
+ ATOM 127 CA ARG A 16 -6.101 -3.077 8.528 1.00 0.00 C
129
+ ATOM 128 C ARG A 16 -5.446 -4.340 7.979 1.00 0.00 C
130
+ ATOM 129 CB ARG A 16 -6.895 -3.404 9.794 1.00 0.00 C
131
+ ATOM 130 O ARG A 16 -4.239 -4.535 8.128 1.00 0.00 O
132
+ ATOM 131 CG ARG A 16 -6.038 -3.903 10.947 1.00 0.00 C
133
+ ATOM 132 CD ARG A 16 -6.850 -4.054 12.226 1.00 0.00 C
134
+ ATOM 133 NE ARG A 16 -6.039 -4.592 13.316 1.00 0.00 N
135
+ ATOM 134 NH1 ARG A 16 -6.949 -6.713 13.221 1.00 0.00 N
136
+ ATOM 135 NH2 ARG A 16 -5.323 -6.227 14.761 1.00 0.00 N
137
+ ATOM 136 CZ ARG A 16 -6.106 -5.843 13.764 1.00 0.00 C
138
+ ATOM 137 N GLN A 17 -6.206 -5.148 7.309 1.00 0.00 N
139
+ ATOM 138 CA GLN A 17 -5.663 -6.372 6.729 1.00 0.00 C
140
+ ATOM 139 C GLN A 17 -4.638 -6.058 5.643 1.00 0.00 C
141
+ ATOM 140 CB GLN A 17 -6.786 -7.238 6.157 1.00 0.00 C
142
+ ATOM 141 O GLN A 17 -3.595 -6.711 5.561 1.00 0.00 O
143
+ ATOM 142 CG GLN A 17 -6.317 -8.597 5.654 1.00 0.00 C
144
+ ATOM 143 CD GLN A 17 -5.658 -9.429 6.737 1.00 0.00 C
145
+ ATOM 144 NE2 GLN A 17 -4.462 -9.932 6.454 1.00 0.00 N
146
+ ATOM 145 OE1 GLN A 17 -6.220 -9.619 7.821 1.00 0.00 O
147
+ ATOM 146 N LEU A 18 -4.892 -5.030 4.842 1.00 0.00 N
148
+ ATOM 147 CA LEU A 18 -3.959 -4.611 3.801 1.00 0.00 C
149
+ ATOM 148 C LEU A 18 -2.636 -4.155 4.408 1.00 0.00 C
150
+ ATOM 149 CB LEU A 18 -4.564 -3.482 2.962 1.00 0.00 C
151
+ ATOM 150 O LEU A 18 -1.565 -4.520 3.916 1.00 0.00 O
152
+ ATOM 151 CG LEU A 18 -3.681 -2.918 1.848 1.00 0.00 C
153
+ ATOM 152 CD1 LEU A 18 -3.239 -4.032 0.905 1.00 0.00 C
154
+ ATOM 153 CD2 LEU A 18 -4.419 -1.823 1.083 1.00 0.00 C
155
+ ATOM 154 N SER A 19 -2.767 -3.431 5.473 1.00 0.00 N
156
+ ATOM 155 CA SER A 19 -1.563 -2.971 6.158 1.00 0.00 C
157
+ ATOM 156 C SER A 19 -0.726 -4.145 6.654 1.00 0.00 C
158
+ ATOM 157 CB SER A 19 -1.929 -2.062 7.333 1.00 0.00 C
159
+ ATOM 158 O SER A 19 0.495 -4.159 6.486 1.00 0.00 O
160
+ ATOM 159 OG SER A 19 -0.766 -1.635 8.020 1.00 0.00 O
161
+ ATOM 160 N LEU A 20 -1.394 -5.163 7.220 1.00 0.00 N
162
+ ATOM 161 CA LEU A 20 -0.709 -6.351 7.721 1.00 0.00 C
163
+ ATOM 162 C LEU A 20 -0.076 -7.135 6.576 1.00 0.00 C
164
+ ATOM 163 CB LEU A 20 -1.683 -7.247 8.491 1.00 0.00 C
165
+ ATOM 164 O LEU A 20 1.056 -7.611 6.695 1.00 0.00 O
166
+ ATOM 165 CG LEU A 20 -2.181 -6.708 9.833 1.00 0.00 C
167
+ ATOM 166 CD1 LEU A 20 -3.246 -7.634 10.413 1.00 0.00 C
168
+ ATOM 167 CD2 LEU A 20 -1.021 -6.544 10.808 1.00 0.00 C
169
+ ATOM 168 N ASP A 21 -0.728 -7.214 5.500 1.00 0.00 N
170
+ ATOM 169 CA ASP A 21 -0.235 -7.963 4.348 1.00 0.00 C
171
+ ATOM 170 C ASP A 21 0.964 -7.263 3.710 1.00 0.00 C
172
+ ATOM 171 CB ASP A 21 -1.346 -8.150 3.313 1.00 0.00 C
173
+ ATOM 172 O ASP A 21 1.926 -7.918 3.303 1.00 0.00 O
174
+ ATOM 173 CG ASP A 21 -2.383 -9.176 3.736 1.00 0.00 C
175
+ ATOM 174 OD1 ASP A 21 -2.115 -9.968 4.664 1.00 0.00 O
176
+ ATOM 175 OD2 ASP A 21 -3.478 -9.194 3.132 1.00 0.00 O
177
+ ATOM 176 N ILE A 22 0.942 -5.989 3.612 1.00 0.00 N
178
+ ATOM 177 CA ILE A 22 2.059 -5.235 3.053 1.00 0.00 C
179
+ ATOM 178 C ILE A 22 3.319 -5.491 3.878 1.00 0.00 C
180
+ ATOM 179 CB ILE A 22 1.749 -3.722 3.002 1.00 0.00 C
181
+ ATOM 180 O ILE A 22 4.408 -5.656 3.323 1.00 0.00 O
182
+ ATOM 181 CG1 ILE A 22 0.740 -3.420 1.888 1.00 0.00 C
183
+ ATOM 182 CG2 ILE A 22 3.035 -2.914 2.808 1.00 0.00 C
184
+ ATOM 183 CD1 ILE A 22 0.200 -1.997 1.911 1.00 0.00 C
185
+ ATOM 184 N ASN A 23 3.116 -5.589 5.220 1.00 0.00 N
186
+ ATOM 185 CA ASN A 23 4.252 -5.781 6.115 1.00 0.00 C
187
+ ATOM 186 C ASN A 23 4.819 -7.194 6.006 1.00 0.00 C
188
+ ATOM 187 CB ASN A 23 3.854 -5.478 7.560 1.00 0.00 C
189
+ ATOM 188 O ASN A 23 5.932 -7.458 6.464 1.00 0.00 O
190
+ ATOM 189 CG ASN A 23 3.724 -3.993 7.831 1.00 0.00 C
191
+ ATOM 190 ND2 ASN A 23 2.793 -3.628 8.706 1.00 0.00 N
192
+ ATOM 191 OD1 ASN A 23 4.454 -3.178 7.260 1.00 0.00 O
193
+ ATOM 192 N LYS A 24 4.065 -8.032 5.424 1.00 0.00 N
194
+ ATOM 193 CA LYS A 24 4.521 -9.407 5.238 1.00 0.00 C
195
+ ATOM 194 C LYS A 24 5.359 -9.540 3.969 1.00 0.00 C
196
+ ATOM 195 CB LYS A 24 3.332 -10.366 5.184 1.00 0.00 C
197
+ ATOM 196 O LYS A 24 6.055 -10.540 3.780 1.00 0.00 O
198
+ ATOM 197 CG LYS A 24 2.645 -10.576 6.525 1.00 0.00 C
199
+ ATOM 198 CD LYS A 24 1.453 -11.517 6.401 1.00 0.00 C
200
+ ATOM 199 CE LYS A 24 0.700 -11.643 7.719 1.00 0.00 C
201
+ ATOM 200 NZ LYS A 24 -0.511 -12.507 7.583 1.00 0.00 N
202
+ ATOM 201 N LEU A 25 5.199 -8.581 3.085 1.00 0.00 N
203
+ ATOM 202 CA LEU A 25 5.897 -8.654 1.807 1.00 0.00 C
204
+ ATOM 203 C LEU A 25 7.408 -8.593 2.008 1.00 0.00 C
205
+ ATOM 204 CB LEU A 25 5.447 -7.519 0.884 1.00 0.00 C
206
+ ATOM 205 O LEU A 25 7.891 -7.903 2.908 1.00 0.00 O
207
+ ATOM 206 CG LEU A 25 4.020 -7.611 0.341 1.00 0.00 C
208
+ ATOM 207 CD1 LEU A 25 3.748 -6.469 -0.632 1.00 0.00 C
209
+ ATOM 208 CD2 LEU A 25 3.789 -8.960 -0.329 1.00 0.00 C
210
+ ATOM 209 N PRO A 26 8.152 -9.333 1.272 1.00 0.00 N
211
+ ATOM 210 CA PRO A 26 9.605 -9.151 1.273 1.00 0.00 C
212
+ ATOM 211 C PRO A 26 10.026 -7.757 0.816 1.00 0.00 C
213
+ ATOM 212 CB PRO A 26 10.095 -10.219 0.292 1.00 0.00 C
214
+ ATOM 213 O PRO A 26 9.296 -7.103 0.066 1.00 0.00 O
215
+ ATOM 214 CG PRO A 26 8.918 -10.501 -0.585 1.00 0.00 C
216
+ ATOM 215 CD PRO A 26 7.667 -10.137 0.163 1.00 0.00 C
217
+ ATOM 216 N GLY A 27 11.212 -7.277 1.258 1.00 0.00 N
218
+ ATOM 217 CA GLY A 27 11.721 -5.948 0.958 1.00 0.00 C
219
+ ATOM 218 C GLY A 27 11.743 -5.637 -0.527 1.00 0.00 C
220
+ ATOM 219 O GLY A 27 11.519 -4.494 -0.931 1.00 0.00 O
221
+ ATOM 220 N GLU A 28 11.988 -6.628 -1.323 1.00 0.00 N
222
+ ATOM 221 CA GLU A 28 12.119 -6.432 -2.764 1.00 0.00 C
223
+ ATOM 222 C GLU A 28 10.782 -6.057 -3.394 1.00 0.00 C
224
+ ATOM 223 CB GLU A 28 12.680 -7.692 -3.428 1.00 0.00 C
225
+ ATOM 224 O GLU A 28 10.744 -5.419 -4.448 1.00 0.00 O
226
+ ATOM 225 CG GLU A 28 11.791 -8.917 -3.271 1.00 0.00 C
227
+ ATOM 226 CD GLU A 28 12.409 -10.183 -3.843 1.00 0.00 C
228
+ ATOM 227 OE1 GLU A 28 13.576 -10.140 -4.293 1.00 0.00 O
229
+ ATOM 228 OE2 GLU A 28 11.720 -11.228 -3.842 1.00 0.00 O
230
+ ATOM 229 N LYS A 29 9.724 -6.419 -2.738 1.00 0.00 N
231
+ ATOM 230 CA LYS A 29 8.393 -6.159 -3.281 1.00 0.00 C
232
+ ATOM 231 C LYS A 29 7.851 -4.819 -2.790 1.00 0.00 C
233
+ ATOM 232 CB LYS A 29 7.429 -7.284 -2.903 1.00 0.00 C
234
+ ATOM 233 O LYS A 29 6.868 -4.306 -3.329 1.00 0.00 O
235
+ ATOM 234 CG LYS A 29 7.814 -8.644 -3.465 1.00 0.00 C
236
+ ATOM 235 CD LYS A 29 7.748 -8.659 -4.988 1.00 0.00 C
237
+ ATOM 236 CE LYS A 29 8.097 -10.030 -5.550 1.00 0.00 C
238
+ ATOM 237 NZ LYS A 29 8.119 -10.027 -7.044 1.00 0.00 N
239
+ ATOM 238 N LEU A 30 8.501 -4.260 -1.755 1.00 0.00 N
240
+ ATOM 239 CA LEU A 30 8.006 -3.026 -1.154 1.00 0.00 C
241
+ ATOM 240 C LEU A 30 8.244 -1.838 -2.080 1.00 0.00 C
242
+ ATOM 241 CB LEU A 30 8.680 -2.779 0.197 1.00 0.00 C
243
+ ATOM 242 O LEU A 30 7.547 -0.825 -1.989 1.00 0.00 O
244
+ ATOM 243 CG LEU A 30 8.256 -3.695 1.345 1.00 0.00 C
245
+ ATOM 244 CD1 LEU A 30 9.092 -3.411 2.589 1.00 0.00 C
246
+ ATOM 245 CD2 LEU A 30 6.769 -3.526 1.643 1.00 0.00 C
247
+ ATOM 246 N GLY A 31 9.258 -1.873 -2.941 1.00 0.00 N
248
+ ATOM 247 CA GLY A 31 9.508 -0.813 -3.904 1.00 0.00 C
249
+ ATOM 248 C GLY A 31 8.307 -0.508 -4.780 1.00 0.00 C
250
+ ATOM 249 O GLY A 31 8.008 0.657 -5.049 1.00 0.00 O
251
+ ATOM 250 N ARG A 32 7.677 -1.638 -5.234 1.00 0.00 N
252
+ ATOM 251 CA ARG A 32 6.501 -1.459 -6.081 1.00 0.00 C
253
+ ATOM 252 C ARG A 32 5.342 -0.865 -5.289 1.00 0.00 C
254
+ ATOM 253 CB ARG A 32 6.082 -2.791 -6.707 1.00 0.00 C
255
+ ATOM 254 O ARG A 32 4.551 -0.086 -5.827 1.00 0.00 O
256
+ ATOM 255 CG ARG A 32 4.862 -2.689 -7.609 1.00 0.00 C
257
+ ATOM 256 CD ARG A 32 5.155 -1.877 -8.864 1.00 0.00 C
258
+ ATOM 257 NE ARG A 32 4.001 -1.828 -9.756 1.00 0.00 N
259
+ ATOM 258 NH1 ARG A 32 4.917 -3.222 -11.356 1.00 0.00 N
260
+ ATOM 259 NH2 ARG A 32 2.817 -2.354 -11.652 1.00 0.00 N
261
+ ATOM 260 CZ ARG A 32 3.914 -2.468 -10.919 1.00 0.00 C
262
+ ATOM 261 N VAL A 33 5.250 -1.207 -4.032 1.00 0.00 N
263
+ ATOM 262 CA VAL A 33 4.232 -0.619 -3.169 1.00 0.00 C
264
+ ATOM 263 C VAL A 33 4.412 0.895 -3.114 1.00 0.00 C
265
+ ATOM 264 CB VAL A 33 4.284 -1.214 -1.743 1.00 0.00 C
266
+ ATOM 265 O VAL A 33 3.456 1.648 -3.317 1.00 0.00 O
267
+ ATOM 266 CG1 VAL A 33 3.386 -0.422 -0.794 1.00 0.00 C
268
+ ATOM 267 CG2 VAL A 33 3.879 -2.686 -1.764 1.00 0.00 C
269
+ ATOM 268 N VAL A 34 5.629 1.331 -2.887 1.00 0.00 N
270
+ ATOM 269 CA VAL A 34 5.955 2.751 -2.805 1.00 0.00 C
271
+ ATOM 270 C VAL A 34 5.655 3.427 -4.141 1.00 0.00 C
272
+ ATOM 271 CB VAL A 34 7.433 2.974 -2.414 1.00 0.00 C
273
+ ATOM 272 O VAL A 34 5.067 4.511 -4.177 1.00 0.00 O
274
+ ATOM 273 CG1 VAL A 34 7.804 4.452 -2.522 1.00 0.00 C
275
+ ATOM 274 CG2 VAL A 34 7.695 2.454 -1.001 1.00 0.00 C
276
+ ATOM 275 N HIS A 35 6.042 2.739 -5.214 1.00 0.00 N
277
+ ATOM 276 CA HIS A 35 5.808 3.295 -6.543 1.00 0.00 C
278
+ ATOM 277 C HIS A 35 4.319 3.489 -6.803 1.00 0.00 C
279
+ ATOM 278 CB HIS A 35 6.414 2.389 -7.616 1.00 0.00 C
280
+ ATOM 279 O HIS A 35 3.906 4.528 -7.325 1.00 0.00 O
281
+ ATOM 280 CG HIS A 35 6.215 2.894 -9.010 1.00 0.00 C
282
+ ATOM 281 CD2 HIS A 35 5.343 2.517 -9.974 1.00 0.00 C
283
+ ATOM 282 ND1 HIS A 35 6.972 3.911 -9.548 1.00 0.00 N
284
+ ATOM 283 CE1 HIS A 35 6.573 4.139 -10.788 1.00 0.00 C
285
+ ATOM 284 NE2 HIS A 35 5.585 3.307 -11.072 1.00 0.00 N
286
+ ATOM 285 N ILE A 36 3.520 2.501 -6.447 1.00 0.00 N
287
+ ATOM 286 CA ILE A 36 2.076 2.590 -6.636 1.00 0.00 C
288
+ ATOM 287 C ILE A 36 1.533 3.806 -5.888 1.00 0.00 C
289
+ ATOM 288 CB ILE A 36 1.363 1.305 -6.161 1.00 0.00 C
290
+ ATOM 289 O ILE A 36 0.763 4.593 -6.444 1.00 0.00 O
291
+ ATOM 290 CG1 ILE A 36 1.668 0.142 -7.111 1.00 0.00 C
292
+ ATOM 291 CG2 ILE A 36 -0.146 1.536 -6.044 1.00 0.00 C
293
+ ATOM 292 CD1 ILE A 36 1.223 -1.217 -6.590 1.00 0.00 C
294
+ ATOM 293 N ILE A 37 1.961 4.007 -4.691 1.00 0.00 N
295
+ ATOM 294 CA ILE A 37 1.473 5.099 -3.855 1.00 0.00 C
296
+ ATOM 295 C ILE A 37 1.918 6.436 -4.442 1.00 0.00 C
297
+ ATOM 296 CB ILE A 37 1.968 4.961 -2.398 1.00 0.00 C
298
+ ATOM 297 O ILE A 37 1.102 7.341 -4.630 1.00 0.00 O
299
+ ATOM 298 CG1 ILE A 37 1.315 3.748 -1.725 1.00 0.00 C
300
+ ATOM 299 CG2 ILE A 37 1.687 6.243 -1.609 1.00 0.00 C
301
+ ATOM 300 CD1 ILE A 37 1.963 3.349 -0.406 1.00 0.00 C
302
+ ATOM 301 N GLN A 38 3.169 6.582 -4.758 1.00 0.00 N
303
+ ATOM 302 CA GLN A 38 3.710 7.852 -5.228 1.00 0.00 C
304
+ ATOM 303 C GLN A 38 3.111 8.240 -6.577 1.00 0.00 C
305
+ ATOM 304 CB GLN A 38 5.234 7.780 -5.333 1.00 0.00 C
306
+ ATOM 305 O GLN A 38 2.915 9.424 -6.858 1.00 0.00 O
307
+ ATOM 306 CG GLN A 38 5.941 7.736 -3.984 1.00 0.00 C
308
+ ATOM 307 CD GLN A 38 7.453 7.725 -4.114 1.00 0.00 C
309
+ ATOM 308 NE2 GLN A 38 8.138 8.281 -3.121 1.00 0.00 N
310
+ ATOM 309 OE1 GLN A 38 8.001 7.220 -5.099 1.00 0.00 O
311
+ ATOM 310 N SER A 39 2.788 7.260 -7.393 1.00 0.00 N
312
+ ATOM 311 CA SER A 39 2.289 7.545 -8.734 1.00 0.00 C
313
+ ATOM 312 C SER A 39 0.827 7.974 -8.701 1.00 0.00 C
314
+ ATOM 313 CB SER A 39 2.451 6.322 -9.638 1.00 0.00 C
315
+ ATOM 314 O SER A 39 0.364 8.693 -9.590 1.00 0.00 O
316
+ ATOM 315 OG SER A 39 1.589 5.275 -9.224 1.00 0.00 O
317
+ ATOM 316 N ARG A 40 0.182 7.619 -7.603 1.00 0.00 N
318
+ ATOM 317 CA ARG A 40 -1.263 7.825 -7.618 1.00 0.00 C
319
+ ATOM 318 C ARG A 40 -1.677 8.875 -6.592 1.00 0.00 C
320
+ ATOM 319 CB ARG A 40 -1.997 6.511 -7.348 1.00 0.00 C
321
+ ATOM 320 O ARG A 40 -2.801 9.380 -6.632 1.00 0.00 O
322
+ ATOM 321 CG ARG A 40 -1.843 5.481 -8.457 1.00 0.00 C
323
+ ATOM 322 CD ARG A 40 -2.769 4.290 -8.251 1.00 0.00 C
324
+ ATOM 323 NE ARG A 40 -2.844 3.453 -9.446 1.00 0.00 N
325
+ ATOM 324 NH1 ARG A 40 -4.799 4.398 -10.236 1.00 0.00 N
326
+ ATOM 325 NH2 ARG A 40 -3.778 2.716 -11.410 1.00 0.00 N
327
+ ATOM 326 CZ ARG A 40 -3.807 3.524 -10.361 1.00 0.00 C
328
+ ATOM 327 N GLU A 41 -0.857 9.075 -5.667 1.00 0.00 N
329
+ ATOM 328 CA GLU A 41 -1.088 10.051 -4.607 1.00 0.00 C
330
+ ATOM 329 C GLU A 41 -0.130 11.233 -4.727 1.00 0.00 C
331
+ ATOM 330 CB GLU A 41 -0.946 9.396 -3.231 1.00 0.00 C
332
+ ATOM 331 O GLU A 41 1.015 11.158 -4.276 1.00 0.00 O
333
+ ATOM 332 CG GLU A 41 -1.858 8.195 -3.025 1.00 0.00 C
334
+ ATOM 333 CD GLU A 41 -3.332 8.566 -2.958 1.00 0.00 C
335
+ ATOM 334 OE1 GLU A 41 -3.654 9.699 -2.533 1.00 0.00 O
336
+ ATOM 335 OE2 GLU A 41 -4.170 7.716 -3.331 1.00 0.00 O
337
+ ATOM 336 N PRO A 42 -0.550 12.319 -5.397 1.00 0.00 N
338
+ ATOM 337 CA PRO A 42 0.315 13.470 -5.670 1.00 0.00 C
339
+ ATOM 338 C PRO A 42 0.971 14.026 -4.408 1.00 0.00 C
340
+ ATOM 339 CB PRO A 42 -0.642 14.493 -6.285 1.00 0.00 C
341
+ ATOM 340 O PRO A 42 2.119 14.477 -4.452 1.00 0.00 O
342
+ ATOM 341 CG PRO A 42 -1.731 13.676 -6.901 1.00 0.00 C
343
+ ATOM 342 CD PRO A 42 -1.926 12.439 -6.070 1.00 0.00 C
344
+ ATOM 343 N SER A 43 0.333 14.019 -3.332 1.00 0.00 N
345
+ ATOM 344 CA SER A 43 0.871 14.559 -2.087 1.00 0.00 C
346
+ ATOM 345 C SER A 43 2.046 13.726 -1.586 1.00 0.00 C
347
+ ATOM 346 CB SER A 43 -0.217 14.619 -1.015 1.00 0.00 C
348
+ ATOM 347 O SER A 43 2.846 14.198 -0.776 1.00 0.00 O
349
+ ATOM 348 OG SER A 43 -0.709 13.323 -0.723 1.00 0.00 O
350
+ ATOM 349 N LEU A 44 2.202 12.565 -2.094 1.00 0.00 N
351
+ ATOM 350 CA LEU A 44 3.239 11.668 -1.598 1.00 0.00 C
352
+ ATOM 351 C LEU A 44 4.305 11.427 -2.663 1.00 0.00 C
353
+ ATOM 352 CB LEU A 44 2.630 10.335 -1.157 1.00 0.00 C
354
+ ATOM 353 O LEU A 44 5.201 10.601 -2.473 1.00 0.00 O
355
+ ATOM 354 CG LEU A 44 1.716 10.378 0.068 1.00 0.00 C
356
+ ATOM 355 CD1 LEU A 44 1.055 9.021 0.285 1.00 0.00 C
357
+ ATOM 356 CD2 LEU A 44 2.500 10.801 1.305 1.00 0.00 C
358
+ ATOM 357 N LYS A 45 4.225 12.058 -3.756 1.00 0.00 N
359
+ ATOM 358 CA LYS A 45 5.087 11.858 -4.919 1.00 0.00 C
360
+ ATOM 359 C LYS A 45 6.558 12.026 -4.548 1.00 0.00 C
361
+ ATOM 360 CB LYS A 45 4.714 12.833 -6.038 1.00 0.00 C
362
+ ATOM 361 O LYS A 45 7.408 11.252 -4.995 1.00 0.00 O
363
+ ATOM 362 CG LYS A 45 5.500 12.629 -7.324 1.00 0.00 C
364
+ ATOM 363 CD LYS A 45 5.024 13.566 -8.426 1.00 0.00 C
365
+ ATOM 364 CE LYS A 45 5.820 13.373 -9.709 1.00 0.00 C
366
+ ATOM 365 NZ LYS A 45 5.336 14.270 -10.801 1.00 0.00 N
367
+ ATOM 366 N ASN A 46 6.855 12.975 -3.638 1.00 0.00 N
368
+ ATOM 367 CA ASN A 46 8.248 13.276 -3.321 1.00 0.00 C
369
+ ATOM 368 C ASN A 46 8.644 12.725 -1.955 1.00 0.00 C
370
+ ATOM 369 CB ASN A 46 8.496 14.785 -3.377 1.00 0.00 C
371
+ ATOM 370 O ASN A 46 9.647 13.147 -1.377 1.00 0.00 O
372
+ ATOM 371 CG ASN A 46 8.236 15.369 -4.752 1.00 0.00 C
373
+ ATOM 372 ND2 ASN A 46 7.512 16.480 -4.797 1.00 0.00 N
374
+ ATOM 373 OD1 ASN A 46 8.680 14.823 -5.766 1.00 0.00 O
375
+ ATOM 374 N SER A 47 7.865 11.790 -1.495 1.00 0.00 N
376
+ ATOM 375 CA SER A 47 8.204 11.167 -0.219 1.00 0.00 C
377
+ ATOM 376 C SER A 47 9.421 10.258 -0.353 1.00 0.00 C
378
+ ATOM 377 CB SER A 47 7.017 10.368 0.319 1.00 0.00 C
379
+ ATOM 378 O SER A 47 9.718 9.767 -1.443 1.00 0.00 O
380
+ ATOM 379 OG SER A 47 6.672 9.319 -0.569 1.00 0.00 O
381
+ ATOM 380 N ASN A 48 10.181 10.139 0.718 1.00 0.00 N
382
+ ATOM 381 CA ASN A 48 11.334 9.246 0.736 1.00 0.00 C
383
+ ATOM 382 C ASN A 48 10.924 7.795 0.505 1.00 0.00 C
384
+ ATOM 383 CB ASN A 48 12.097 9.380 2.055 1.00 0.00 C
385
+ ATOM 384 O ASN A 48 10.202 7.214 1.317 1.00 0.00 O
386
+ ATOM 385 CG ASN A 48 13.397 8.600 2.060 1.00 0.00 C
387
+ ATOM 386 ND2 ASN A 48 14.194 8.783 3.107 1.00 0.00 N
388
+ ATOM 387 OD1 ASN A 48 13.684 7.842 1.131 1.00 0.00 O
389
+ ATOM 388 N PRO A 49 11.415 7.140 -0.537 1.00 0.00 N
390
+ ATOM 389 CA PRO A 49 10.976 5.775 -0.837 1.00 0.00 C
391
+ ATOM 390 C PRO A 49 11.481 4.757 0.183 1.00 0.00 C
392
+ ATOM 391 CB PRO A 49 11.577 5.507 -2.219 1.00 0.00 C
393
+ ATOM 392 O PRO A 49 10.908 3.671 0.312 1.00 0.00 O
394
+ ATOM 393 CG PRO A 49 12.692 6.494 -2.348 1.00 0.00 C
395
+ ATOM 394 CD PRO A 49 12.357 7.705 -1.526 1.00 0.00 C
396
+ ATOM 395 N ASP A 50 12.523 5.060 0.915 1.00 0.00 N
397
+ ATOM 396 CA ASP A 50 13.102 4.147 1.895 1.00 0.00 C
398
+ ATOM 397 C ASP A 50 12.280 4.128 3.182 1.00 0.00 C
399
+ ATOM 398 CB ASP A 50 14.550 4.536 2.202 1.00 0.00 C
400
+ ATOM 399 O ASP A 50 12.345 3.168 3.953 1.00 0.00 O
401
+ ATOM 400 CG ASP A 50 15.486 4.310 1.028 1.00 0.00 C
402
+ ATOM 401 OD1 ASP A 50 15.275 3.351 0.255 1.00 0.00 O
403
+ ATOM 402 OD2 ASP A 50 16.444 5.098 0.875 1.00 0.00 O
404
+ ATOM 403 N GLU A 51 11.666 5.195 3.411 1.00 0.00 N
405
+ ATOM 404 CA GLU A 51 10.846 5.346 4.610 1.00 0.00 C
406
+ ATOM 405 C GLU A 51 9.561 6.111 4.307 1.00 0.00 C
407
+ ATOM 406 CB GLU A 51 11.633 6.057 5.715 1.00 0.00 C
408
+ ATOM 407 O GLU A 51 9.584 7.330 4.134 1.00 0.00 O
409
+ ATOM 408 CG GLU A 51 12.787 5.238 6.272 1.00 0.00 C
410
+ ATOM 409 CD GLU A 51 13.507 5.921 7.424 1.00 0.00 C
411
+ ATOM 410 OE1 GLU A 51 13.031 6.980 7.894 1.00 0.00 O
412
+ ATOM 411 OE2 GLU A 51 14.553 5.394 7.861 1.00 0.00 O
413
+ ATOM 412 N ILE A 52 8.542 5.389 4.056 1.00 0.00 N
414
+ ATOM 413 CA ILE A 52 7.294 6.084 3.763 1.00 0.00 C
415
+ ATOM 414 C ILE A 52 6.257 5.758 4.834 1.00 0.00 C
416
+ ATOM 415 CB ILE A 52 6.755 5.710 2.363 1.00 0.00 C
417
+ ATOM 416 O ILE A 52 6.062 4.592 5.184 1.00 0.00 O
418
+ ATOM 417 CG1 ILE A 52 5.571 6.609 1.989 1.00 0.00 C
419
+ ATOM 418 CG2 ILE A 52 6.357 4.232 2.315 1.00 0.00 C
420
+ ATOM 419 CD1 ILE A 52 5.157 6.512 0.527 1.00 0.00 C
421
+ ATOM 420 N GLU A 53 5.804 6.764 5.593 1.00 0.00 N
422
+ ATOM 421 CA GLU A 53 4.699 6.646 6.540 1.00 0.00 C
423
+ ATOM 422 C GLU A 53 3.363 6.951 5.871 1.00 0.00 C
424
+ ATOM 423 CB GLU A 53 4.914 7.578 7.736 1.00 0.00 C
425
+ ATOM 424 O GLU A 53 3.139 8.068 5.398 1.00 0.00 O
426
+ ATOM 425 CG GLU A 53 6.095 7.191 8.614 1.00 0.00 C
427
+ ATOM 426 CD GLU A 53 6.238 8.067 9.847 1.00 0.00 C
428
+ ATOM 427 OE1 GLU A 53 5.358 8.925 10.089 1.00 0.00 O
429
+ ATOM 428 OE2 GLU A 53 7.240 7.897 10.578 1.00 0.00 O
430
+ ATOM 429 N ILE A 54 2.544 5.935 5.842 1.00 0.00 N
431
+ ATOM 430 CA ILE A 54 1.321 6.083 5.061 1.00 0.00 C
432
+ ATOM 431 C ILE A 54 0.106 5.960 5.978 1.00 0.00 C
433
+ ATOM 432 CB ILE A 54 1.244 5.036 3.927 1.00 0.00 C
434
+ ATOM 433 O ILE A 54 0.020 5.030 6.783 1.00 0.00 O
435
+ ATOM 434 CG1 ILE A 54 2.481 5.133 3.026 1.00 0.00 C
436
+ ATOM 435 CG2 ILE A 54 -0.041 5.214 3.114 1.00 0.00 C
437
+ ATOM 436 CD1 ILE A 54 2.521 6.387 2.163 1.00 0.00 C
438
+ ATOM 437 N ASP A 55 -0.740 6.969 5.891 1.00 0.00 N
439
+ ATOM 438 CA ASP A 55 -2.057 6.897 6.516 1.00 0.00 C
440
+ ATOM 439 C ASP A 55 -3.098 6.355 5.540 1.00 0.00 C
441
+ ATOM 440 CB ASP A 55 -2.484 8.274 7.029 1.00 0.00 C
442
+ ATOM 441 O ASP A 55 -3.512 7.055 4.613 1.00 0.00 O
443
+ ATOM 442 CG ASP A 55 -3.776 8.236 7.825 1.00 0.00 C
444
+ ATOM 443 OD1 ASP A 55 -4.369 7.145 7.973 1.00 0.00 O
445
+ ATOM 444 OD2 ASP A 55 -4.208 9.306 8.305 1.00 0.00 O
446
+ ATOM 445 N PHE A 56 -3.592 5.157 5.764 1.00 0.00 N
447
+ ATOM 446 CA PHE A 56 -4.531 4.492 4.868 1.00 0.00 C
448
+ ATOM 447 C PHE A 56 -5.821 5.293 4.744 1.00 0.00 C
449
+ ATOM 448 CB PHE A 56 -4.838 3.076 5.364 1.00 0.00 C
450
+ ATOM 449 O PHE A 56 -6.535 5.180 3.746 1.00 0.00 O
451
+ ATOM 450 CG PHE A 56 -3.776 2.067 5.018 1.00 0.00 C
452
+ ATOM 451 CD1 PHE A 56 -2.429 2.375 5.171 1.00 0.00 C
453
+ ATOM 452 CD2 PHE A 56 -4.123 0.811 4.538 1.00 0.00 C
454
+ ATOM 453 CE1 PHE A 56 -1.444 1.444 4.851 1.00 0.00 C
455
+ ATOM 454 CE2 PHE A 56 -3.145 -0.124 4.216 1.00 0.00 C
456
+ ATOM 455 CZ PHE A 56 -1.805 0.194 4.373 1.00 0.00 C
457
+ ATOM 456 N GLU A 57 -6.127 6.090 5.724 1.00 0.00 N
458
+ ATOM 457 CA GLU A 57 -7.357 6.875 5.701 1.00 0.00 C
459
+ ATOM 458 C GLU A 57 -7.285 7.986 4.658 1.00 0.00 C
460
+ ATOM 459 CB GLU A 57 -7.643 7.469 7.083 1.00 0.00 C
461
+ ATOM 460 O GLU A 57 -8.316 8.481 4.198 1.00 0.00 O
462
+ ATOM 461 CG GLU A 57 -7.963 6.427 8.146 1.00 0.00 C
463
+ ATOM 462 CD GLU A 57 -9.216 5.622 7.838 1.00 0.00 C
464
+ ATOM 463 OE1 GLU A 57 -10.201 6.202 7.329 1.00 0.00 O
465
+ ATOM 464 OE2 GLU A 57 -9.212 4.400 8.110 1.00 0.00 O
466
+ ATOM 465 N THR A 58 -6.109 8.383 4.289 1.00 0.00 N
467
+ ATOM 466 CA THR A 58 -5.994 9.542 3.411 1.00 0.00 C
468
+ ATOM 467 C THR A 58 -5.744 9.107 1.970 1.00 0.00 C
469
+ ATOM 468 CB THR A 58 -4.861 10.480 3.871 1.00 0.00 C
470
+ ATOM 469 O THR A 58 -5.678 9.943 1.066 1.00 0.00 O
471
+ ATOM 470 CG2 THR A 58 -5.089 10.956 5.302 1.00 0.00 C
472
+ ATOM 471 OG1 THR A 58 -3.613 9.779 3.805 1.00 0.00 O
473
+ ATOM 472 N LEU A 59 -5.506 7.842 1.780 1.00 0.00 N
474
+ ATOM 473 CA LEU A 59 -5.260 7.338 0.434 1.00 0.00 C
475
+ ATOM 474 C LEU A 59 -6.562 7.220 -0.350 1.00 0.00 C
476
+ ATOM 475 CB LEU A 59 -4.559 5.978 0.490 1.00 0.00 C
477
+ ATOM 476 O LEU A 59 -7.610 6.912 0.222 1.00 0.00 O
478
+ ATOM 477 CG LEU A 59 -3.132 5.972 1.043 1.00 0.00 C
479
+ ATOM 478 CD1 LEU A 59 -2.533 4.573 0.947 1.00 0.00 C
480
+ ATOM 479 CD2 LEU A 59 -2.266 6.983 0.299 1.00 0.00 C
481
+ ATOM 480 N LYS A 60 -6.509 7.410 -1.674 1.00 0.00 N
482
+ ATOM 481 CA LYS A 60 -7.664 7.203 -2.542 1.00 0.00 C
483
+ ATOM 482 C LYS A 60 -8.092 5.738 -2.549 1.00 0.00 C
484
+ ATOM 483 CB LYS A 60 -7.356 7.666 -3.967 1.00 0.00 C
485
+ ATOM 484 O LYS A 60 -7.252 4.840 -2.450 1.00 0.00 O
486
+ ATOM 485 CG LYS A 60 -7.034 9.149 -4.080 1.00 0.00 C
487
+ ATOM 486 CD LYS A 60 -6.633 9.527 -5.500 1.00 0.00 C
488
+ ATOM 487 CE LYS A 60 -6.146 10.967 -5.579 1.00 0.00 C
489
+ ATOM 488 NZ LYS A 60 -5.622 11.301 -6.938 1.00 0.00 N
490
+ ATOM 489 N PRO A 61 -9.438 5.509 -2.652 1.00 0.00 N
491
+ ATOM 490 CA PRO A 61 -9.913 4.126 -2.749 1.00 0.00 C
492
+ ATOM 491 C PRO A 61 -9.269 3.363 -3.904 1.00 0.00 C
493
+ ATOM 492 CB PRO A 61 -11.419 4.285 -2.972 1.00 0.00 C
494
+ ATOM 493 O PRO A 61 -8.933 2.185 -3.760 1.00 0.00 O
495
+ ATOM 494 CG PRO A 61 -11.771 5.573 -2.300 1.00 0.00 C
496
+ ATOM 495 CD PRO A 61 -10.630 6.532 -2.483 1.00 0.00 C
497
+ ATOM 496 N SER A 62 -9.066 4.025 -5.047 1.00 0.00 N
498
+ ATOM 497 CA SER A 62 -8.456 3.368 -6.198 1.00 0.00 C
499
+ ATOM 498 C SER A 62 -7.022 2.943 -5.897 1.00 0.00 C
500
+ ATOM 499 CB SER A 62 -8.479 4.291 -7.417 1.00 0.00 C
501
+ ATOM 500 O SER A 62 -6.576 1.885 -6.345 1.00 0.00 O
502
+ ATOM 501 OG SER A 62 -7.783 5.496 -7.147 1.00 0.00 O
503
+ ATOM 502 N THR A 63 -6.294 3.789 -5.167 1.00 0.00 N
504
+ ATOM 503 CA THR A 63 -4.931 3.457 -4.768 1.00 0.00 C
505
+ ATOM 504 C THR A 63 -4.918 2.245 -3.840 1.00 0.00 C
506
+ ATOM 505 CB THR A 63 -4.247 4.647 -4.072 1.00 0.00 C
507
+ ATOM 506 O THR A 63 -4.127 1.319 -4.030 1.00 0.00 O
508
+ ATOM 507 CG2 THR A 63 -2.805 4.314 -3.704 1.00 0.00 C
509
+ ATOM 508 OG1 THR A 63 -4.254 5.777 -4.953 1.00 0.00 O
510
+ ATOM 509 N LEU A 64 -5.838 2.281 -2.834 1.00 0.00 N
511
+ ATOM 510 CA LEU A 64 -5.936 1.180 -1.880 1.00 0.00 C
512
+ ATOM 511 C LEU A 64 -6.264 -0.128 -2.592 1.00 0.00 C
513
+ ATOM 512 CB LEU A 64 -7.001 1.481 -0.822 1.00 0.00 C
514
+ ATOM 513 O LEU A 64 -5.682 -1.171 -2.283 1.00 0.00 O
515
+ ATOM 514 CG LEU A 64 -6.654 2.564 0.201 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 64 -7.892 2.949 1.004 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 64 -5.537 2.089 1.124 1.00 0.00 C
518
+ ATOM 517 N ARG A 65 -7.144 -0.105 -3.584 1.00 0.00 N
519
+ ATOM 518 CA ARG A 65 -7.538 -1.317 -4.298 1.00 0.00 C
520
+ ATOM 519 C ARG A 65 -6.398 -1.839 -5.164 1.00 0.00 C
521
+ ATOM 520 CB ARG A 65 -8.773 -1.054 -5.161 1.00 0.00 C
522
+ ATOM 521 O ARG A 65 -6.221 -3.050 -5.302 1.00 0.00 O
523
+ ATOM 522 CG ARG A 65 -10.041 -0.793 -4.362 1.00 0.00 C
524
+ ATOM 523 CD ARG A 65 -10.500 -2.036 -3.612 1.00 0.00 C
525
+ ATOM 524 NE ARG A 65 -11.792 -1.828 -2.964 1.00 0.00 N
526
+ ATOM 525 NH1 ARG A 65 -11.558 -3.576 -1.472 1.00 0.00 N
527
+ ATOM 526 NH2 ARG A 65 -13.453 -2.288 -1.447 1.00 0.00 N
528
+ ATOM 527 CZ ARG A 65 -12.264 -2.565 -1.963 1.00 0.00 C
529
+ ATOM 528 N GLU A 66 -5.684 -0.914 -5.728 1.00 0.00 N
530
+ ATOM 529 CA GLU A 66 -4.524 -1.343 -6.502 1.00 0.00 C
531
+ ATOM 530 C GLU A 66 -3.478 -2.004 -5.608 1.00 0.00 C
532
+ ATOM 531 CB GLU A 66 -3.906 -0.158 -7.247 1.00 0.00 C
533
+ ATOM 532 O GLU A 66 -2.886 -3.019 -5.982 1.00 0.00 O
534
+ ATOM 533 CG GLU A 66 -2.771 -0.544 -8.184 1.00 0.00 C
535
+ ATOM 534 CD GLU A 66 -2.482 0.508 -9.243 1.00 0.00 C
536
+ ATOM 535 OE1 GLU A 66 -3.380 1.327 -9.547 1.00 0.00 O
537
+ ATOM 536 OE2 GLU A 66 -1.348 0.516 -9.772 1.00 0.00 O
538
+ ATOM 537 N LEU A 67 -3.214 -1.416 -4.471 1.00 0.00 N
539
+ ATOM 538 CA LEU A 67 -2.299 -2.021 -3.510 1.00 0.00 C
540
+ ATOM 539 C LEU A 67 -2.762 -3.423 -3.126 1.00 0.00 C
541
+ ATOM 540 CB LEU A 67 -2.184 -1.149 -2.258 1.00 0.00 C
542
+ ATOM 541 O LEU A 67 -1.953 -4.351 -3.054 1.00 0.00 O
543
+ ATOM 542 CG LEU A 67 -1.420 0.166 -2.415 1.00 0.00 C
544
+ ATOM 543 CD1 LEU A 67 -1.561 1.016 -1.157 1.00 0.00 C
545
+ ATOM 544 CD2 LEU A 67 0.050 -0.102 -2.723 1.00 0.00 C
546
+ ATOM 545 N GLU A 68 -4.071 -3.568 -2.868 1.00 0.00 N
547
+ ATOM 546 CA GLU A 68 -4.610 -4.867 -2.477 1.00 0.00 C
548
+ ATOM 547 C GLU A 68 -4.401 -5.904 -3.577 1.00 0.00 C
549
+ ATOM 548 CB GLU A 68 -6.099 -4.751 -2.141 1.00 0.00 C
550
+ ATOM 549 O GLU A 68 -4.032 -7.047 -3.296 1.00 0.00 O
551
+ ATOM 550 CG GLU A 68 -6.704 -6.030 -1.581 1.00 0.00 C
552
+ ATOM 551 CD GLU A 68 -8.217 -5.967 -1.442 1.00 0.00 C
553
+ ATOM 552 OE1 GLU A 68 -8.876 -5.305 -2.275 1.00 0.00 O
554
+ ATOM 553 OE2 GLU A 68 -8.747 -6.584 -0.491 1.00 0.00 O
555
+ ATOM 554 N ARG A 69 -4.620 -5.519 -4.842 1.00 0.00 N
556
+ ATOM 555 CA ARG A 69 -4.408 -6.424 -5.967 1.00 0.00 C
557
+ ATOM 556 C ARG A 69 -2.950 -6.861 -6.051 1.00 0.00 C
558
+ ATOM 557 CB ARG A 69 -4.834 -5.761 -7.279 1.00 0.00 C
559
+ ATOM 558 O ARG A 69 -2.660 -8.048 -6.210 1.00 0.00 O
560
+ ATOM 559 CG ARG A 69 -6.340 -5.684 -7.469 1.00 0.00 C
561
+ ATOM 560 CD ARG A 69 -6.708 -5.125 -8.837 1.00 0.00 C
562
+ ATOM 561 NE ARG A 69 -8.131 -4.807 -8.925 1.00 0.00 N
563
+ ATOM 562 NH1 ARG A 69 -7.988 -3.800 -10.999 1.00 0.00 N
564
+ ATOM 563 NH2 ARG A 69 -10.010 -3.946 -9.926 1.00 0.00 N
565
+ ATOM 564 CZ ARG A 69 -8.706 -4.185 -9.950 1.00 0.00 C
566
+ ATOM 565 N TYR A 70 -2.059 -5.914 -5.915 1.00 0.00 N
567
+ ATOM 566 CA TYR A 70 -0.637 -6.229 -5.994 1.00 0.00 C
568
+ ATOM 567 C TYR A 70 -0.214 -7.133 -4.843 1.00 0.00 C
569
+ ATOM 568 CB TYR A 70 0.199 -4.946 -5.986 1.00 0.00 C
570
+ ATOM 569 O TYR A 70 0.446 -8.153 -5.057 1.00 0.00 O
571
+ ATOM 570 CG TYR A 70 1.689 -5.192 -5.980 1.00 0.00 C
572
+ ATOM 571 CD1 TYR A 70 2.317 -5.803 -7.062 1.00 0.00 C
573
+ ATOM 572 CD2 TYR A 70 2.470 -4.814 -4.893 1.00 0.00 C
574
+ ATOM 573 CE1 TYR A 70 3.690 -6.034 -7.060 1.00 0.00 C
575
+ ATOM 574 CE2 TYR A 70 3.842 -5.040 -4.880 1.00 0.00 C
576
+ ATOM 575 OH TYR A 70 5.800 -5.874 -5.960 1.00 0.00 O
577
+ ATOM 576 CZ TYR A 70 4.442 -5.649 -5.967 1.00 0.00 C
578
+ ATOM 577 N VAL A 71 -0.630 -6.753 -3.622 1.00 0.00 N
579
+ ATOM 578 CA VAL A 71 -0.216 -7.488 -2.431 1.00 0.00 C
580
+ ATOM 579 C VAL A 71 -0.791 -8.902 -2.470 1.00 0.00 C
581
+ ATOM 580 CB VAL A 71 -0.659 -6.768 -1.138 1.00 0.00 C
582
+ ATOM 581 O VAL A 71 -0.092 -9.871 -2.162 1.00 0.00 O
583
+ ATOM 582 CG1 VAL A 71 -0.447 -7.665 0.080 1.00 0.00 C
584
+ ATOM 583 CG2 VAL A 71 0.098 -5.452 -0.974 1.00 0.00 C
585
+ ATOM 584 N THR A 72 -2.030 -9.025 -2.861 1.00 0.00 N
586
+ ATOM 585 CA THR A 72 -2.655 -10.340 -2.961 1.00 0.00 C
587
+ ATOM 586 C THR A 72 -1.946 -11.197 -4.005 1.00 0.00 C
588
+ ATOM 587 CB THR A 72 -4.149 -10.222 -3.318 1.00 0.00 C
589
+ ATOM 588 O THR A 72 -1.719 -12.389 -3.787 1.00 0.00 O
590
+ ATOM 589 CG2 THR A 72 -4.787 -11.600 -3.473 1.00 0.00 C
591
+ ATOM 590 OG1 THR A 72 -4.827 -9.508 -2.278 1.00 0.00 O
592
+ ATOM 591 N SER A 73 -1.571 -10.565 -5.095 1.00 0.00 N
593
+ ATOM 592 CA SER A 73 -0.850 -11.300 -6.129 1.00 0.00 C
594
+ ATOM 593 C SER A 73 0.498 -11.793 -5.618 1.00 0.00 C
595
+ ATOM 594 CB SER A 73 -0.647 -10.424 -7.366 1.00 0.00 C
596
+ ATOM 595 O SER A 73 0.915 -12.911 -5.930 1.00 0.00 O
597
+ ATOM 596 OG SER A 73 0.381 -9.474 -7.146 1.00 0.00 O
598
+ ATOM 597 N CYS A 74 1.130 -11.037 -4.876 1.00 0.00 N
599
+ ATOM 598 CA CYS A 74 2.420 -11.426 -4.319 1.00 0.00 C
600
+ ATOM 599 C CYS A 74 2.260 -12.563 -3.316 1.00 0.00 C
601
+ ATOM 600 CB CYS A 74 3.096 -10.232 -3.645 1.00 0.00 C
602
+ ATOM 601 O CYS A 74 3.067 -13.495 -3.294 1.00 0.00 O
603
+ ATOM 602 SG CYS A 74 3.702 -8.989 -4.807 1.00 0.00 S
604
+ ATOM 603 N LEU A 75 1.242 -12.464 -2.500 1.00 0.00 N
605
+ ATOM 604 CA LEU A 75 1.048 -13.445 -1.438 1.00 0.00 C
606
+ ATOM 605 C LEU A 75 0.488 -14.749 -1.998 1.00 0.00 C
607
+ ATOM 606 CB LEU A 75 0.108 -12.893 -0.363 1.00 0.00 C
608
+ ATOM 607 O LEU A 75 0.749 -15.825 -1.455 1.00 0.00 O
609
+ ATOM 608 CG LEU A 75 0.654 -11.749 0.492 1.00 0.00 C
610
+ ATOM 609 CD1 LEU A 75 -0.417 -11.247 1.454 1.00 0.00 C
611
+ ATOM 610 CD2 LEU A 75 1.897 -12.196 1.254 1.00 0.00 C
612
+ ATOM 611 N ARG A 76 -0.410 -14.691 -2.929 1.00 0.00 N
613
+ ATOM 612 CA ARG A 76 -0.926 -15.914 -3.538 1.00 0.00 C
614
+ ATOM 613 C ARG A 76 0.196 -16.723 -4.179 1.00 0.00 C
615
+ ATOM 614 CB ARG A 76 -1.997 -15.584 -4.580 1.00 0.00 C
616
+ ATOM 615 O ARG A 76 0.196 -17.953 -4.114 1.00 0.00 O
617
+ ATOM 616 CG ARG A 76 -3.335 -15.180 -3.982 1.00 0.00 C
618
+ ATOM 617 CD ARG A 76 -4.386 -14.946 -5.059 1.00 0.00 C
619
+ ATOM 618 NE ARG A 76 -5.679 -14.589 -4.480 1.00 0.00 N
620
+ ATOM 619 NH1 ARG A 76 -6.799 -14.532 -6.501 1.00 0.00 N
621
+ ATOM 620 NH2 ARG A 76 -7.917 -14.079 -4.552 1.00 0.00 N
622
+ ATOM 621 CZ ARG A 76 -6.796 -14.401 -5.179 1.00 0.00 C
623
+ ATOM 622 N LYS A 77 0.993 -16.062 -5.034 1.00 0.00 N
624
+ ATOM 623 CA LYS A 77 2.071 -16.782 -5.704 1.00 0.00 C
625
+ ATOM 624 C LYS A 77 2.906 -17.578 -4.705 1.00 0.00 C
626
+ ATOM 625 CB LYS A 77 2.966 -15.811 -6.478 1.00 0.00 C
627
+ ATOM 626 O LYS A 77 3.419 -18.649 -5.032 1.00 0.00 O
628
+ ATOM 627 CG LYS A 77 2.352 -15.303 -7.775 1.00 0.00 C
629
+ ATOM 628 CD LYS A 77 3.325 -14.419 -8.545 1.00 0.00 C
630
+ ATOM 629 CE LYS A 77 2.707 -13.899 -9.835 1.00 0.00 C
631
+ ATOM 630 NZ LYS A 77 3.639 -12.991 -10.569 1.00 0.00 N
632
+ ATOM 631 N LYS A 78 3.062 -17.131 -3.543 1.00 0.00 N
633
+ ATOM 632 CA LYS A 78 3.741 -17.937 -2.533 1.00 0.00 C
634
+ ATOM 633 C LYS A 78 3.014 -19.260 -2.306 1.00 0.00 C
635
+ ATOM 634 CB LYS A 78 3.852 -17.167 -1.216 1.00 0.00 C
636
+ ATOM 635 O LYS A 78 3.631 -20.256 -1.923 1.00 0.00 O
637
+ ATOM 636 CG LYS A 78 4.979 -16.146 -1.190 1.00 0.00 C
638
+ ATOM 637 CD LYS A 78 5.199 -15.592 0.212 1.00 0.00 C
639
+ ATOM 638 CE LYS A 78 6.369 -14.619 0.252 1.00 0.00 C
640
+ ATOM 639 NZ LYS A 78 6.614 -14.105 1.634 1.00 0.00 N
641
+ ATOM 640 N ARG A 79 1.736 -19.447 -2.777 1.00 0.00 N
642
+ ATOM 641 CA ARG A 79 1.035 -20.678 -2.426 1.00 0.00 C
643
+ ATOM 642 C ARG A 79 1.175 -21.721 -3.529 1.00 0.00 C
644
+ ATOM 643 CB ARG A 79 -0.446 -20.396 -2.156 1.00 0.00 C
645
+ ATOM 644 O ARG A 79 0.885 -22.901 -3.316 1.00 0.00 O
646
+ ATOM 645 CG ARG A 79 -0.713 -19.752 -0.805 1.00 0.00 C
647
+ ATOM 646 CD ARG A 79 -2.203 -19.672 -0.504 1.00 0.00 C
648
+ ATOM 647 NE ARG A 79 -2.560 -18.404 0.126 1.00 0.00 N
649
+ ATOM 648 NH1 ARG A 79 -4.813 -18.884 0.295 1.00 0.00 N
650
+ ATOM 649 NH2 ARG A 79 -4.002 -16.880 1.057 1.00 0.00 N
651
+ ATOM 650 CZ ARG A 79 -3.792 -18.060 0.491 1.00 0.00 C
652
+ ATOM 651 N LYS A 80 1.821 -21.455 -4.769 1.00 0.00 N
653
+ ATOM 652 CA LYS A 80 1.729 -22.569 -5.708 1.00 0.00 C
654
+ ATOM 653 C LYS A 80 2.287 -23.850 -5.097 1.00 0.00 C
655
+ ATOM 654 CB LYS A 80 2.472 -22.240 -7.005 1.00 0.00 C
656
+ ATOM 655 O LYS A 80 3.339 -23.831 -4.454 1.00 0.00 O
657
+ ATOM 656 CG LYS A 80 1.736 -21.263 -7.909 1.00 0.00 C
658
+ ATOM 657 CD LYS A 80 2.384 -21.178 -9.285 1.00 0.00 C
659
+ ATOM 658 CE LYS A 80 1.643 -20.206 -10.193 1.00 0.00 C
660
+ ATOM 659 NZ LYS A 80 2.245 -20.157 -11.560 1.00 0.00 N
661
+ ATOM 660 N PRO A 81 1.436 -24.867 -4.573 1.00 0.00 N
662
+ ATOM 661 CA PRO A 81 1.767 -26.237 -4.170 1.00 0.00 C
663
+ ATOM 662 C PRO A 81 2.945 -26.813 -4.950 1.00 0.00 C
664
+ ATOM 663 CB PRO A 81 0.481 -27.013 -4.469 1.00 0.00 C
665
+ ATOM 664 O PRO A 81 3.054 -26.597 -6.160 1.00 0.00 O
666
+ ATOM 665 CG PRO A 81 -0.464 -25.991 -5.014 1.00 0.00 C
667
+ ATOM 666 CD PRO A 81 0.263 -24.683 -5.132 1.00 0.00 C
668
+ ATOM 667 N GLN A 82 4.166 -26.787 -4.309 1.00 0.00 N
669
+ ATOM 668 CA GLN A 82 5.173 -27.746 -4.751 1.00 0.00 C
670
+ ATOM 669 C GLN A 82 4.538 -29.086 -5.107 1.00 0.00 C
671
+ ATOM 670 CB GLN A 82 6.240 -27.940 -3.672 1.00 0.00 C
672
+ ATOM 671 O GLN A 82 3.655 -29.569 -4.394 1.00 0.00 O
673
+ ATOM 672 CG GLN A 82 7.186 -26.755 -3.522 1.00 0.00 C
674
+ ATOM 673 CD GLN A 82 8.360 -27.055 -2.609 1.00 0.00 C
675
+ ATOM 674 NE2 GLN A 82 9.375 -26.198 -2.650 1.00 0.00 N
676
+ ATOM 675 OE1 GLN A 82 8.354 -28.046 -1.873 1.00 0.00 O
677
+ ATOM 676 N ALA A 83 4.236 -29.318 -6.411 1.00 0.00 N
678
+ ATOM 677 CA ALA A 83 4.040 -30.714 -6.795 1.00 0.00 C
679
+ ATOM 678 C ALA A 83 5.265 -31.554 -6.448 1.00 0.00 C
680
+ ATOM 679 CB ALA A 83 3.733 -30.818 -8.286 1.00 0.00 C
681
+ ATOM 680 O ALA A 83 6.394 -31.056 -6.466 1.00 0.00 O
682
+ ATOM 681 OXT ALA A 83 4.498 -32.477 -6.290 1.00 0.00 O
683
+ TER 682 ALA A 83
684
+ END
2nd0/2nd0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2on6/2on6_ligand.mol2 ADDED
@@ -0,0 +1,86 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2on6_ligand
7
+ 34 36 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C9 13.5460 11.8920 57.8740 C.2 1 IMH 0.0057
14
+ 2 C8 14.5140 12.6510 57.2000 C.2 1 IMH 0.0223
15
+ 3 N7 14.9500 11.9320 56.0930 N.pl3 1 IMH -0.2895
16
+ 4 C5 14.3450 10.7150 56.0180 C.2 1 IMH 0.1348
17
+ 5 C6 14.3540 9.5200 55.1430 C.2 1 IMH 0.2413
18
+ 6 O6 15.1470 9.4410 54.0480 O.2 1 IMH -0.4013
19
+ 7 N1 13.5340 8.4750 55.4520 N.am 1 IMH -0.2067
20
+ 8 C2 12.7090 8.4630 56.5240 C.2 1 IMH 0.1146
21
+ 9 N3 12.6340 9.5040 57.3650 N.2 1 IMH -0.3199
22
+ 10 C4 13.4170 10.5970 57.1610 C.2 1 IMH 0.0184
23
+ 11 O5' 11.8990 15.7990 61.6140 O.3 1 IMH -0.3894
24
+ 12 C5' 11.0290 14.9850 60.8250 C.3 1 IMH 0.0894
25
+ 13 C4' 11.5770 13.5810 60.7170 C.3 1 IMH 0.0313
26
+ 14 N4' 11.7040 13.1300 59.3210 N.4 1 IMH 0.2435
27
+ 15 C3' 12.9960 13.5380 61.2970 C.3 1 IMH 0.1317
28
+ 16 O3' 13.0530 13.0910 62.6700 O.3 1 IMH -0.3832
29
+ 17 C2' 13.8320 12.7190 60.2760 C.3 1 IMH 0.1327
30
+ 18 O2' 14.7220 11.7240 60.8560 O.3 1 IMH -0.3821
31
+ 19 C1' 12.8400 12.2090 59.1820 C.3 1 IMH 0.0244
32
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33
+ 21 H2 15.6439 12.2770 55.4145 H 1 IMH 0.2273
34
+ 22 H3 13.5431 7.6739 54.8535 H 1 IMH 0.2519
35
+ 23 H4 12.0905 7.5858 56.7083 H 1 IMH 0.1426
36
+ 24 H5 12.7566 15.8312 61.2067 H 1 IMH 0.2097
37
+ 25 H6 10.9412 15.4184 59.8178 H 1 IMH 0.0614
38
+ 26 H7 10.0363 14.9514 61.2975 H 1 IMH 0.0614
39
+ 27 H8 10.9171 12.8962 61.2698 H 1 IMH 0.0900
40
+ 28 H9 11.8502 13.9300 58.7254 H 1 IMH 0.2029
41
+ 29 H10 10.8573 12.6569 59.0464 H 1 IMH 0.2029
42
+ 30 H11 13.3917 14.5643 61.2992 H 1 IMH 0.0680
43
+ 31 H12 12.5433 13.6791 63.2147 H 1 IMH 0.2102
44
+ 32 H13 14.5017 13.4340 59.7757 H 1 IMH 0.0693
45
+ 33 H14 15.1893 11.2753 60.1611 H 1 IMH 0.2103
46
+ 34 H15 12.4565 11.2308 59.5077 H 1 IMH 0.0961
47
+ @<TRIPOS>BOND
48
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49
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50
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51
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52
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53
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54
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55
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57
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84
+ @<TRIPOS>SUBSTRUCTURE
85
+ 1 IMH 1
86
+
2on6/2on6_ligand.sdf ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2on6_ligand
2
+ -I-interpret-
3
+
4
+ 33 35 0 0 0 0 0 0 0 0999 V2000
5
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6
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7
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13
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14
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15
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16
+ 11.0290 14.9850 60.8250 C 0 0 0 0 0
17
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18
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20
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27
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28
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29
+ 10.0487 14.9483 61.3002 H 0 0 0 0 0
30
+ 10.8778 12.9400 61.2540 H 0 0 0 0 0
31
+ 11.8588 13.9413 58.7225 H 0 0 0 0 0
32
+ 10.8484 12.6458 59.0491 H 0 0 0 0 0
33
+ 13.4244 14.5347 61.4023 H 0 0 0 0 0
34
+ 13.9659 13.0885 62.9669 H 0 0 0 0 0
35
+ 14.5772 13.3594 59.8042 H 0 0 0 0 0
36
+ 15.1942 11.2706 60.1538 H 0 0 0 0 0
37
+ 12.4042 11.2138 59.2699 H 0 0 0 0 0
38
+ 1 2 4 0 0 0
39
+ 1 10 4 0 0 0
40
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41
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42
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43
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45
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47
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48
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49
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
+ 15 29 1 0 0 0
69
+ 16 30 1 0 0 0
70
+ 17 31 1 0 0 0
71
+ 18 32 1 0 0 0
72
+ 19 33 1 0 0 0
73
+ M END
74
+ $$$$
2on6/2on6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2on6/2on6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pj7/2pj7_ligand.mol2 ADDED
@@ -0,0 +1,129 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:57 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2pj7_ligand
7
+ 56 57 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C35 37.2300 15.1860 66.6110 C.ar 1 235 -0.0351
14
+ 2 C36 38.2480 14.6620 67.4490 C.ar 1 235 -0.0599
15
+ 3 C37 38.8750 13.4330 67.1150 C.ar 1 235 -0.0616
16
+ 4 C38 38.4810 12.7310 65.9460 C.ar 1 235 -0.0599
17
+ 5 C39 37.4620 13.2550 65.1090 C.ar 1 235 -0.0351
18
+ 6 C34 36.8360 14.4820 65.4390 C.ar 1 235 0.1082
19
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2pj7/2pj7_ligand.sdf ADDED
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+ $$$$
2pj7/2pj7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pj7/2pj7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff