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created with PyMOL @MOLECULE MFCD02579135 34 36 0 0 0 PROTEIN USER_CHARGES @ATOM 169 N 54.449 28.324 23.357 N.ar 0.000 170 N 54.280 30.391 20.561 N.ar 0.000 171 N 55.605 28.759 21.270 N.ar 0.000 172 N 56.176 29.836 19.178 N.2 0.000 173 N 59.731 30.917 18.989 N.4 0.000 174 N 52.555 29.757 23.766 N.ar 0.000 175 C 53.389 28.682 24.197 C.ar 0.000 176 C 55.361 27.240 23.765 C.3 0.000 177 C 54.627 29.003 22.184 C.ar 0.000 178 C 53.825 29.986 21.780 C.ar 0.000 179 C 55.410 29.643 20.293 C.ar 0.000 180 C 57.586 29.555 19.174 C.3 0.000 181 C 58.400 30.745 19.734 C.3 0.000 182 C 60.749 31.657 19.843 C.3 0.000 183 C 61.544 30.721 20.681 C.3 0.000 184 C 59.546 31.545 17.630 C.3 0.000 185 C 58.923 32.954 17.756 C.3 0.000 186 C 53.726 31.462 19.706 C.3 0.000 187 C 54.237 32.852 20.136 C.3 0.000 188 C 53.197 33.965 19.891 C.3 0.000 189 C 51.457 34.136 18.236 C.ar 0.000 190 C 50.971 33.508 17.094 C.ar 0.000 191 C 49.631 33.678 16.697 C.ar 0.000 192 C 48.779 34.447 17.448 C.ar 0.000 193 C 46.549 35.359 17.724 C.3 0.000 194 C 49.238 35.075 18.618 C.ar 0.000 195 C 50.565 34.913 19.014 C.ar 0.000 196 C 52.699 30.471 22.562 C.ar 0.000 197 C 51.403 30.140 24.604 C.3 0.000 198 O 53.165 28.144 25.261 O.2 0.000 199 O 55.419 33.156 19.373 O.3 0.000 200 O 52.811 33.928 18.512 O.3 0.000 201 O 47.474 34.515 16.991 O.3 0.000 202 O 51.977 31.385 22.223 O.2 0.000 @BOND 0 30 7 2 1 7 1 1 2 7 6 1 3 1 8 1 4 1 9 1 5 9 10 ar 6 9 3 ar 7 10 2 ar 8 10 28 1 9 2 11 ar 10 2 18 1 11 11 3 ar 12 11 4 1 13 4 12 1 14 12 13 1 15 13 5 1 16 5 14 1 17 5 16 1 18 14 15 1 19 16 17 1 20 18 19 1 21 19 31 1 22 19 20 1 23 20 32 1 24 32 21 1 25 21 22 ar 26 21 27 ar 27 22 23 ar 28 23 24 ar 29 24 33 1 30 24 26 ar 31 33 25 1 32 26 27 ar 33 28 34 2 34 28 6 1 35 6 29 1 # created with PyMOL @MOLECULE MFCD02681468 34 38 0 0 0 PROTEIN USER_CHARGES @ATOM 203 N 54.262 31.510 20.265 N.4 0.000 204 N 55.934 33.458 18.937 N.am 0.000 205 N 52.686 29.774 23.270 N.am 0.000 206 C 52.763 30.550 22.079 C.2 0.000 207 C 53.944 30.292 21.116 C.3 0.000 208 C 55.047 31.163 19.037 C.3 0.000 209 C 55.321 32.362 18.164 C.3 0.000 210 C 55.188 33.811 20.149 C.3 0.000 211 C 54.957 32.625 21.063 C.3 0.000 212 C 57.094 34.167 18.599 C.2 0.000 213 C 57.689 33.900 17.199 C.3 0.000 214 C 58.821 34.871 16.933 C.3 0.000 215 C 59.532 33.366 15.295 C.ar 0.000 216 C 60.298 33.054 14.194 C.ar 0.000 217 C 60.596 31.737 13.876 C.ar 0.000 218 C 60.114 30.715 14.667 C.ar 0.000 219 C 59.312 30.982 15.788 C.ar 0.000 220 C 59.021 32.310 16.091 C.ar 0.000 221 C 51.653 30.180 24.241 C.3 0.000 222 C 50.236 29.969 23.696 C.3 0.000 223 C 49.164 30.274 24.759 C.3 0.000 224 C 49.360 31.674 25.367 C.3 0.000 225 C 50.740 31.889 25.872 C.3 0.000 226 C 51.826 31.604 24.849 C.3 0.000 227 C 53.532 28.654 23.491 C.ar 0.000 228 C 53.731 27.659 22.517 C.ar 0.000 229 C 54.519 26.572 22.743 C.ar 0.000 230 C 55.191 26.406 23.934 C.ar 0.000 231 C 55.009 27.367 24.948 C.ar 0.000 232 C 54.202 28.463 24.735 C.ar 0.000 233 O 51.981 31.437 21.803 O.2 0.000 234 O 57.658 34.906 19.352 O.2 0.000 235 O 59.333 34.694 15.597 O.3 0.000 236 O 58.220 32.558 17.223 O.3 0.000 @BOND 0 31 4 2 1 4 5 1 2 4 3 1 3 5 1 1 4 1 6 1 5 1 9 1 6 6 7 1 7 7 2 1 8 2 8 1 9 2 10 1 10 8 9 1 11 10 32 2 12 10 11 1 13 11 12 1 14 11 34 1 15 12 33 1 16 33 13 1 17 13 14 ar 18 13 18 ar 19 14 15 ar 20 15 16 ar 21 16 17 ar 22 17 18 ar 23 18 34 1 24 3 19 1 25 3 25 1 26 19 20 1 27 19 24 1 28 20 21 1 29 21 22 1 30 22 23 1 31 23 24 1 32 25 26 ar 33 25 30 ar 34 26 27 ar 35 27 28 ar 36 28 29 ar 37 29 30 ar # created with PyMOL @MOLECULE MFCD00141070 36 39 0 0 0 PROTEIN USER_CHARGES @ATOM 237 N 52.873 32.572 20.651 N.2 0.000 238 N 51.807 34.012 18.496 N.4 0.000 239 N 49.296 35.244 17.801 N.2 0.000 240 C 52.412 31.451 22.587 C.2 0.000 241 C 52.806 30.312 23.480 C.ar 0.000 242 C 53.727 29.353 23.010 C.ar 0.000 243 C 54.094 28.294 23.762 C.ar 0.000 244 C 55.109 27.293 23.231 C.3 0.000 245 C 53.617 28.189 25.085 C.ar 0.000 246 C 52.735 29.113 25.590 C.ar 0.000 247 C 52.322 30.201 24.800 C.ar 0.000 248 C 53.664 32.737 19.648 C.2 0.000 249 C 53.327 33.804 18.630 C.3 0.000 250 C 51.385 34.106 17.038 C.3 0.000 251 C 49.870 34.164 16.928 C.3 0.000 252 C 49.764 35.263 19.191 C.3 0.000 253 C 51.290 35.206 19.257 C.3 0.000 254 C 48.012 35.785 17.512 C.ar 0.000 255 C 46.994 35.050 16.909 C.ar 0.000 256 C 45.753 35.557 16.631 C.ar 0.000 257 C 45.457 36.869 16.953 C.ar 0.000 258 C 46.449 37.667 17.577 C.ar 0.000 259 C 47.683 37.115 17.854 C.ar 0.000 260 C 43.853 38.656 16.878 C.3 0.000 261 C 54.930 31.941 19.421 C.ar 0.000 262 C 54.912 30.559 19.547 C.ar 0.000 263 C 56.086 29.858 19.340 C.ar 0.000 264 C 57.288 30.556 19.042 C.ar 0.000 265 C 57.292 31.935 18.966 C.ar 0.000 266 C 56.105 32.653 19.150 C.ar 0.000 267 O 51.485 32.190 22.831 O.2 0.000 268 O 53.246 31.520 21.480 O.3 0.000 269 O 44.141 37.294 16.625 O.3 0.000 270 F 56.019 27.884 22.382 F 0.000 271 F 55.847 26.733 24.212 F 0.000 272 F 54.551 26.283 22.519 F 0.000 @BOND 0 31 4 2 1 4 5 1 2 4 32 1 3 5 6 ar 4 5 11 ar 5 6 7 ar 6 7 8 1 7 7 9 ar 8 8 34 1 9 8 35 1 10 8 36 1 11 9 10 ar 12 10 11 ar 13 32 1 1 14 1 12 2 15 12 13 1 16 12 25 1 17 13 2 1 18 2 14 1 19 2 17 1 20 14 15 1 21 15 3 1 22 3 16 1 23 3 18 1 24 16 17 1 25 18 19 ar 26 18 23 ar 27 19 20 ar 28 20 21 ar 29 21 22 ar 30 21 33 1 31 22 23 ar 32 33 24 1 33 25 26 ar 34 25 30 ar 35 26 27 ar 36 27 28 ar 37 28 29 ar 38 29 30 ar # created with PyMOL @MOLECULE MFCD02983625 34 38 0 0 0 PROTEIN USER_CHARGES @ATOM 273 N 54.557 28.715 22.588 N.ar 0.000 274 N 52.526 29.979 22.811 N.ar 0.000 275 N 54.742 31.132 20.081 N.ar 0.000 276 N 56.039 29.498 20.769 N.ar 0.000 277 N 56.891 30.872 19.018 N.2 0.000 278 N 58.779 31.608 17.025 N.2 0.000 279 C 53.348 28.904 23.239 C.ar 0.000 280 C 55.472 27.589 22.938 C.3 0.000 281 C 54.893 29.558 21.529 C.ar 0.000 282 C 54.097 30.582 21.153 C.ar 0.000 283 C 52.878 30.907 21.822 C.ar 0.000 284 C 51.277 30.162 23.542 C.3 0.000 285 C 54.166 32.136 19.151 C.3 0.000 286 C 54.070 33.545 19.691 C.3 0.000 287 C 52.886 34.395 19.185 C.3 0.000 288 C 52.736 34.434 17.701 C.ar 0.000 289 C 53.723 35.015 16.854 C.ar 0.000 290 C 53.572 35.021 15.483 C.ar 0.000 291 C 52.401 34.445 14.897 C.ar 0.000 292 C 51.480 33.856 15.712 C.ar 0.000 293 C 51.616 33.838 17.096 C.ar 0.000 294 C 55.956 30.512 19.960 C.ar 0.000 295 C 57.707 29.825 18.389 C.3 0.000 296 C 58.184 30.234 17.002 C.3 0.000 297 C 57.993 32.652 17.708 C.3 0.000 298 C 57.548 32.166 19.113 C.3 0.000 299 C 59.669 31.987 15.951 C.ar 0.000 300 C 59.663 31.342 14.714 C.ar 0.000 301 C 60.542 31.729 13.703 C.ar 0.000 302 C 61.445 32.765 13.902 C.ar 0.000 303 C 61.451 33.429 15.116 C.ar 0.000 304 C 60.575 33.034 16.145 C.ar 0.000 305 O 52.998 28.154 24.164 O.2 0.000 306 O 52.186 31.874 21.554 O.2 0.000 @BOND 0 33 7 2 1 7 1 1 2 7 2 1 3 1 8 1 4 1 9 1 5 9 10 ar 6 9 4 ar 7 10 11 1 8 10 3 ar 9 11 34 2 10 11 2 1 11 2 12 1 12 3 13 1 13 3 22 ar 14 13 14 1 15 14 15 1 16 15 16 1 17 16 17 ar 18 16 21 ar 19 17 18 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 22 4 ar 24 22 5 1 25 5 23 1 26 5 26 1 27 23 24 1 28 24 6 1 29 6 25 1 30 6 27 1 31 25 26 1 32 27 28 ar 33 27 32 ar 34 28 29 ar 35 29 30 ar 36 30 31 ar 37 31 32 ar # 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