REMARK Preliminary release coordinates of the STAT-4 N-terminal Domain REMARK Coordinates are being processed for PDB release. REMARK Uwe Vinkemeier, Ismail Moarefi, James E. Darnell, Jr. & John Kuriyan REMARK ATOM 162 N GLY 3 -2.632 43.757 55.800 1.00 52.71 MOL1 ATOM 163 CA GLY 3 -1.309 43.210 56.051 1.00 46.25 MOL1 ATOM 164 C GLY 3 -0.362 43.630 54.967 1.00 38.23 MOL1 ATOM 165 O GLY 3 0.063 42.849 54.148 1.00 54.50 MOL1 ATOM 166 N GLY 4 -0.118 44.952 54.911 1.00 49.09 MOL1 ATOM 167 CA GLY 4 0.773 45.550 53.948 1.00 39.52 MOL1 ATOM 168 C GLY 4 2.075 46.097 54.495 1.00 30.85 MOL1 ATOM 169 O GLY 4 2.223 46.391 55.657 1.00 24.76 MOL1 ATOM 170 N SER 5 3.008 46.295 53.581 1.00 21.21 MOL1 ATOM 171 CA SER 5 4.333 46.818 53.866 1.00 13.64 MOL1 ATOM 172 CB SER 5 5.228 46.537 52.655 1.00 10.44 MOL1 ATOM 173 OG SER 5 4.589 47.083 51.524 1.00 14.95 MOL1 ATOM 174 C SER 5 4.301 48.317 54.054 1.00 6.49 MOL1 ATOM 175 O SER 5 3.287 48.963 53.817 1.00 8.19 MOL1 ATOM 176 N GLN 6 5.415 48.877 54.468 1.00 6.56 MOL1 ATOM 177 CA GLN 6 5.511 50.316 54.589 1.00 5.65 MOL1 ATOM 178 CB GLN 6 6.877 50.697 55.125 1.00 7.85 MOL1 ATOM 179 CG GLN 6 7.066 52.173 55.337 1.00 7.35 MOL1 ATOM 180 CD GLN 6 8.283 52.453 56.167 1.00 9.53 MOL1 ATOM 181 OE1 GLN 6 9.237 53.045 55.692 1.00 9.30 MOL1 ATOM 182 NE2 GLN 6 8.226 52.054 57.408 1.00 10.02 MOL1 ATOM 183 C GLN 6 5.313 50.904 53.173 1.00 6.32 MOL1 ATOM 184 O GLN 6 4.663 51.939 53.015 1.00 7.04 MOL1 ATOM 185 N TRP 7 5.830 50.244 52.159 1.00 5.90 MOL1 ATOM 186 CA TRP 7 5.676 50.719 50.776 1.00 5.47 MOL1 ATOM 187 CB TRP 7 6.424 49.830 49.790 1.00 5.98 MOL1 ATOM 188 CG TRP 7 6.446 50.400 48.361 1.00 7.38 MOL1 ATOM 189 CD2 TRP 7 6.965 51.675 47.949 1.00 8.42 MOL1 ATOM 190 CE2 TRP 7 6.836 51.746 46.552 1.00 6.51 MOL1 ATOM 191 CE3 TRP 7 7.556 52.754 48.632 1.00 6.14 MOL1 ATOM 192 CD1 TRP 7 6.006 49.780 47.217 1.00 8.76 MOL1 ATOM 193 NE1 TRP 7 6.242 50.581 46.150 1.00 6.14 MOL1 ATOM 194 CZ2 TRP 7 7.273 52.868 45.825 1.00 6.91 MOL1 ATOM 195 CZ3 TRP 7 7.986 53.875 47.900 1.00 7.99 MOL1 ATOM 196 CH2 TRP 7 7.845 53.914 46.497 1.00 7.66 MOL1 ATOM 197 C TRP 7 4.201 50.774 50.392 1.00 5.29 MOL1 ATOM 198 O TRP 7 3.745 51.744 49.780 1.00 5.53 MOL1 ATOM 199 N ASN 8 3.464 49.741 50.770 1.00 5.91 MOL1 ATOM 200 CA ASN 8 2.020 49.677 50.487 1.00 6.47 MOL1 ATOM 201 CB ASN 8 1.465 48.348 50.967 1.00 12.35 MOL1 ATOM 202 CG ASN 8 0.030 48.156 50.618 1.00 29.12 MOL1 ATOM 203 OD1 ASN 8 -0.316 47.839 49.480 1.00 40.46 MOL1 ATOM 204 ND2 ASN 8 -0.841 48.315 51.600 1.00 28.10 MOL1 ATOM 205 C ASN 8 1.305 50.849 51.169 1.00 7.43 MOL1 ATOM 206 O ASN 8 0.371 51.429 50.638 1.00 7.87 MOL1 ATOM 207 N GLN 9 1.770 51.193 52.371 1.00 5.70 MOL1 ATOM 208 CA GLN 9 1.204 52.332 53.076 1.00 8.06 MOL1 ATOM 209 CB GLN 9 1.699 52.364 54.492 1.00 8.48 MOL1 ATOM 210 CG GLN 9 1.179 51.180 55.286 1.00 8.88 MOL1 ATOM 211 CD GLN 9 1.805 51.148 56.661 1.00 32.72 MOL1 ATOM 212 OE1 GLN 9 2.421 50.172 57.042 1.00 40.63 MOL1 ATOM 213 NE2 GLN 9 1.685 52.240 57.395 1.00 21.88 MOL1 ATOM 214 C GLN 9 1.528 53.649 52.356 1.00 7.00 MOL1 ATOM 215 O GLN 9 0.683 54.535 52.291 1.00 7.22 MOL1 ATOM 216 N VAL 10 2.741 53.779 51.848 1.00 5.04 MOL1 ATOM 217 CA VAL 10 3.150 54.960 51.091 1.00 5.19 MOL1 ATOM 218 CB VAL 10 4.662 54.861 50.709 1.00 9.61 MOL1 ATOM 219 CG1 VAL 10 5.059 55.931 49.696 1.00 11.20 MOL1 ATOM 220 CG2 VAL 10 5.531 54.952 51.964 1.00 10.03 MOL1 ATOM 221 C VAL 10 2.267 55.087 49.825 1.00 6.94 MOL1 ATOM 222 O VAL 10 1.914 56.184 49.426 1.00 6.17 MOL1 ATOM 223 N GLN 11 1.930 53.957 49.222 1.00 9.81 MOL1 ATOM 224 CA GLN 11 1.090 53.944 48.017 1.00 8.94 MOL1 ATOM 225 CB GLN 11 1.063 52.540 47.389 1.00 10.54 MOL1 ATOM 226 CG GLN 11 2.377 52.180 46.689 1.00 15.70 MOL1 ATOM 227 CD GLN 11 2.388 50.772 46.098 1.00 27.80 MOL1 ATOM 228 OE1 GLN 11 2.577 50.598 44.902 1.00 22.54 MOL1 ATOM 229 NE2 GLN 11 2.205 49.756 46.940 1.00 20.56 MOL1 ATOM 230 C GLN 11 -0.327 54.442 48.251 1.00 12.55 MOL1 ATOM 231 O GLN 11 -0.989 54.833 47.292 1.00 14.13 MOL1 ATOM 232 N GLN 12 -0.794 54.429 49.489 1.00 8.87 MOL1 ATOM 233 CA GLN 12 -2.142 54.881 49.801 1.00 11.31 MOL1 ATOM 234 CB GLN 12 -2.738 54.109 50.994 1.00 11.72 MOL1 ATOM 235 CG GLN 12 -2.508 52.593 50.954 1.00 14.64 MOL1 ATOM 236 CD GLN 12 -3.032 51.916 49.674 1.00 41.19 MOL1 ATOM 237 OE1 GLN 12 -4.200 52.095 49.294 1.00 46.68 MOL1 ATOM 238 NE2 GLN 12 -2.179 51.119 49.012 1.00 35.47 MOL1 ATOM 239 C GLN 12 -2.206 56.387 50.046 1.00 8.37 MOL1 ATOM 240 O GLN 12 -3.298 56.965 50.064 1.00 12.13 MOL1 ATOM 241 N LEU 13 -1.041 57.031 50.218 1.00 7.75 MOL1 ATOM 242 CA LEU 13 -0.984 58.482 50.436 1.00 8.81 MOL1 ATOM 243 CB LEU 13 0.436 58.899 50.827 1.00 9.14 MOL1 ATOM 244 CG LEU 13 0.948 58.219 52.110 1.00 10.88 MOL1 ATOM 245 CD1 LEU 13 2.431 58.408 52.224 1.00 14.39 MOL1 ATOM 246 CD2 LEU 13 0.216 58.768 53.320 1.00 11.04 MOL1 ATOM 247 C LEU 13 -1.359 59.277 49.168 1.00 14.81 MOL1 ATOM 248 O LEU 13 -1.305 58.746 48.030 1.00 9.27 MOL1 ATOM 249 N GLU 14 -1.769 60.526 49.365 1.00 11.11 MOL1 ATOM 250 CA GLU 14 -2.064 61.358 48.216 1.00 10.73 MOL1 ATOM 251 CB GLU 14 -2.590 62.717 48.635 1.00 18.32 MOL1 ATOM 252 CG GLU 14 -3.949 62.593 49.320 1.00 30.99 MOL1 ATOM 253 CD GLU 14 -4.759 63.865 49.247 1.00 47.63 MOL1 ATOM 254 OE1 GLU 14 -4.668 64.676 50.195 1.00 45.72 MOL1 ATOM 255 OE2 GLU 14 -5.497 64.051 48.245 1.00 59.32 MOL1 ATOM 256 C GLU 14 -0.747 61.475 47.448 1.00 11.99 MOL1 ATOM 257 O GLU 14 0.311 61.583 48.058 1.00 12.15 MOL1 ATOM 258 N ILE 15 -0.779 61.467 46.143 1.00 13.09 MOL1 ATOM 259 CA ILE 15 0.359 61.430 45.225 1.00 10.10 MOL1 ATOM 260 CB ILE 15 -0.156 61.501 43.785 1.00 19.93 MOL1 ATOM 261 CG2 ILE 15 0.128 62.848 43.116 1.00 35.84 MOL1 ATOM 262 CG1 ILE 15 0.461 60.448 42.865 1.00 24.60 MOL1 ATOM 263 CD1 ILE 15 1.140 59.311 43.634 1.00 21.12 MOL1 ATOM 264 C ILE 15 1.244 62.632 45.535 1.00 12.37 MOL1 ATOM 265 O ILE 15 2.500 62.524 45.216 1.00 11.88 MOL1 ATOM 266 N LYS 16 0.813 63.754 46.061 1.00 13.34 MOL1 ATOM 267 CA LYS 16 1.684 64.919 46.271 1.00 17.83 MOL1 ATOM 268 CB LYS 16 0.881 66.141 46.762 1.00 17.61 MOL1 ATOM 269 CG LYS 16 0.249 66.018 48.170 1.00 20.66 MOL1 ATOM 270 CD LYS 16 -0.611 67.236 48.454 1.00 29.74 MOL1 ATOM 271 CE LYS 16 -1.549 67.014 49.625 1.00 36.97 MOL1 ATOM 272 NZ LYS 16 -1.152 67.738 50.860 1.00 45.88 MOL1 ATOM 273 C LYS 16 2.882 64.685 47.184 1.00 14.08 MOL1 ATOM 274 O LYS 16 3.852 65.383 47.102 1.00 11.64 MOL1 ATOM 275 N PHE 17 2.850 63.626 47.994 1.00 8.67 MOL1 ATOM 276 CA PHE 17 3.961 63.374 48.905 1.00 8.67 MOL1 ATOM 277 CB PHE 17 3.662 62.198 49.848 1.00 14.14 MOL1 ATOM 278 CG PHE 17 3.998 60.856 49.230 1.00 34.97 MOL1 ATOM 279 CD1 PHE 17 5.231 60.244 49.497 1.00 20.88 MOL1 ATOM 280 CD2 PHE 17 3.136 60.268 48.269 1.00 23.85 MOL1 ATOM 281 CE1 PHE 17 5.614 59.074 48.833 1.00 21.33 MOL1 ATOM 282 CE2 PHE 17 3.505 59.095 47.594 1.00 21.51 MOL1 ATOM 283 CZ PHE 17 4.743 58.501 47.873 1.00 26.30 MOL1 ATOM 284 C PHE 17 5.183 62.970 48.126 1.00 10.73 MOL1 ATOM 285 O PHE 17 6.309 63.171 48.548 1.00 8.54 MOL1 ATOM 286 N LEU 18 4.937 62.281 47.013 1.00 8.42 MOL1 ATOM 287 CA LEU 18 6.011 61.742 46.239 1.00 8.64 MOL1 ATOM 288 CB LEU 18 5.451 61.107 44.960 1.00 15.30 MOL1 ATOM 289 CG LEU 18 6.388 60.194 44.161 1.00 15.40 MOL1 ATOM 290 CD1 LEU 18 6.778 58.936 44.920 1.00 8.58 MOL1 ATOM 291 CD2 LEU 18 5.674 59.838 42.873 1.00 8.87 MOL1 ATOM 292 C LEU 18 7.113 62.741 45.953 1.00 5.29 MOL1 ATOM 293 O LEU 18 8.286 62.403 46.021 1.00 9.93 MOL1 ATOM 294 N GLU 19 6.752 63.989 45.743 1.00 5.85 MOL1 ATOM 295 CA GLU 19 7.763 64.991 45.465 1.00 10.40 MOL1 ATOM 296 CB GLU 19 7.160 66.346 45.074 1.00 19.15 MOL1 ATOM 297 CG GLU 19 6.121 66.906 45.976 1.00 15.29 MOL1 ATOM 298 CD GLU 19 5.521 68.169 45.409 1.00 25.25 MOL1 ATOM 299 OE1 GLU 19 5.676 69.213 46.033 1.00 25.96 MOL1 ATOM 300 OE2 GLU 19 4.872 68.119 44.353 1.00 30.55 MOL1 ATOM 301 C GLU 19 8.803 65.151 46.574 1.00 16.21 MOL1 ATOM 302 O GLU 19 9.970 65.377 46.273 1.00 13.10 MOL1 ATOM 303 N GLN 20 8.418 64.879 47.801 1.00 6.83 MOL1 ATOM 304 CA GLN 20 9.314 65.003 48.955 1.00 7.77 MOL1 ATOM 305 CB GLN 20 8.491 65.032 50.254 1.00 7.28 MOL1 ATOM 306 CG GLN 20 7.536 66.221 50.314 1.00 8.10 MOL1 ATOM 307 CD GLN 20 6.771 66.314 51.630 1.00 8.79 MOL1 ATOM 308 OE1 GLN 20 7.276 65.946 52.660 1.00 8.92 MOL1 ATOM 309 NE2 GLN 20 5.546 66.708 51.549 1.00 7.89 MOL1 ATOM 310 C GLN 20 10.405 63.944 49.057 1.00 6.47 MOL1 ATOM 311 O GLN 20 11.388 64.151 49.722 1.00 6.03 MOL1 ATOM 312 N VAL 21 10.181 62.781 48.483 1.00 8.08 MOL1 ATOM 313 CA VAL 21 11.180 61.719 48.558 1.00 4.96 MOL1 ATOM 314 CB VAL 21 10.536 60.313 48.768 1.00 6.31 MOL1 ATOM 315 CG1 VAL 21 9.592 60.330 49.967 1.00 9.41 MOL1 ATOM 316 CG2 VAL 21 9.765 59.867 47.483 1.00 9.54 MOL1 ATOM 317 C VAL 21 12.186 61.658 47.399 1.00 4.92 MOL1 ATOM 318 O VAL 21 13.109 60.823 47.430 1.00 4.77 MOL1 ATOM 319 N ASP 22 12.027 62.512 46.385 1.00 6.18 MOL1 ATOM 320 CA ASP 22 12.941 62.441 45.240 1.00 4.59 MOL1 ATOM 321 CB ASP 22 12.669 63.540 44.212 1.00 4.66 MOL1 ATOM 322 CG ASP 22 13.599 63.421 43.015 1.00 6.88 MOL1 ATOM 323 OD1 ASP 22 13.445 62.455 42.239 1.00 7.30 MOL1 ATOM 324 OD2 ASP 22 14.513 64.228 42.892 1.00 10.24 MOL1 ATOM 325 C ASP 22 14.439 62.401 45.546 1.00 8.43 MOL1 ATOM 326 O ASP 22 15.175 61.538 45.028 1.00 8.16 MOL1 ATOM 327 N GLN 23 14.891 63.293 46.448 1.00 6.01 MOL1 ATOM 328 CA GLN 23 16.303 63.371 46.777 1.00 6.26 MOL1 ATOM 329 CB GLN 23 16.656 64.743 47.401 1.00 7.30 MOL1 ATOM 330 CG GLN 23 16.201 64.963 48.872 1.00 11.12 MOL1 ATOM 331 CD GLN 23 14.821 65.616 48.986 1.00 21.13 MOL1 ATOM 332 OE1 GLN 23 14.563 66.408 49.903 1.00 17.88 MOL1 ATOM 333 NE2 GLN 23 13.934 65.287 48.052 1.00 7.59 MOL1 ATOM 334 C GLN 23 16.833 62.213 47.647 1.00 5.42 MOL1 ATOM 335 O GLN 23 18.014 62.155 47.896 1.00 7.85 MOL1 ATOM 336 N PHE 24 15.953 61.342 48.115 1.00 4.37 MOL1 ATOM 337 CA PHE 24 16.328 60.176 48.906 1.00 4.12 MOL1 ATOM 338 CB PHE 24 15.213 59.828 49.898 1.00 6.06 MOL1 ATOM 339 CG PHE 24 15.077 60.828 51.013 1.00 4.91 MOL1 ATOM 340 CD1 PHE 24 14.342 62.002 50.829 1.00 6.40 MOL1 ATOM 341 CD2 PHE 24 15.775 60.657 52.214 1.00 4.81 MOL1 ATOM 342 CE1 PHE 24 14.321 63.004 51.820 1.00 7.07 MOL1 ATOM 343 CE2 PHE 24 15.749 61.651 53.191 1.00 5.94 MOL1 ATOM 344 CZ PHE 24 15.020 62.823 52.984 1.00 5.00 MOL1 ATOM 345 C PHE 24 16.695 58.968 48.044 1.00 8.81 MOL1 ATOM 346 O PHE 24 17.055 57.915 48.566 1.00 7.35 MOL1 ATOM 347 N TYR 25 16.561 59.115 46.720 1.00 6.14 MOL1 ATOM 348 CA TYR 25 16.926 58.074 45.770 1.00 6.03 MOL1 ATOM 349 CB TYR 25 15.721 57.697 44.870 1.00 6.01 MOL1 ATOM 350 CG TYR 25 14.585 57.047 45.648 1.00 3.85 MOL1 ATOM 351 CD1 TYR 25 13.550 57.815 46.206 1.00 3.81 MOL1 ATOM 352 CE1 TYR 25 12.554 57.208 46.965 1.00 4.27 MOL1 ATOM 353 CD2 TYR 25 14.569 55.651 45.860 1.00 7.05 MOL1 ATOM 354 CE2 TYR 25 13.564 55.049 46.628 1.00 4.71 MOL1 ATOM 355 CZ TYR 25 12.562 55.826 47.149 1.00 5.09 MOL1 ATOM 356 OH TYR 25 11.543 55.203 47.825 1.00 8.28 MOL1 ATOM 357 C TYR 25 18.029 58.596 44.899 1.00 6.13 MOL1 ATOM 358 O TYR 25 17.928 59.663 44.358 1.00 6.40 MOL1 ATOM 359 N ASP 26 19.101 57.822 44.780 1.00 6.80 MOL1 ATOM 360 CA ASP 26 20.209 58.198 43.937 1.00 6.06 MOL1 ATOM 361 CB ASP 26 21.200 59.130 44.648 1.00 7.18 MOL1 ATOM 362 CG ASP 26 21.881 58.508 45.863 1.00 11.50 MOL1 ATOM 363 OD1 ASP 26 21.891 57.230 46.013 1.00 7.90 MOL1 ATOM 364 OD2 ASP 26 22.447 59.269 46.735 1.00 17.42 MOL1 ATOM 365 C ASP 26 20.827 56.887 43.402 1.00 6.17 MOL1 ATOM 366 O ASP 26 20.206 55.820 43.448 1.00 6.85 MOL1 ATOM 367 N ASP 27 22.039 56.939 42.882 1.00 6.35 MOL1 ATOM 368 CA ASP 27 22.674 55.729 42.300 1.00 7.56 MOL1 ATOM 369 CB ASP 27 24.076 56.060 41.791 1.00 9.47 MOL1 ATOM 370 CG ASP 27 24.061 56.768 40.433 1.00 42.02 MOL1 ATOM 371 OD1 ASP 27 23.097 56.554 39.601 1.00 48.78 MOL1 ATOM 372 OD2 ASP 27 25.011 57.583 40.121 1.00 46.28 MOL1 ATOM 373 C ASP 27 22.761 54.605 43.336 1.00 7.26 MOL1 ATOM 374 O ASP 27 22.929 53.417 42.931 1.00 10.00 MOL1 ATOM 375 N ASN 28 22.656 54.850 44.616 1.00 6.29 MOL1 ATOM 376 CA ASN 28 23.072 53.964 45.699 1.00 6.64 MOL1 ATOM 377 CB ASN 28 23.434 54.661 46.998 1.00 5.46 MOL1 ATOM 378 CG ASN 28 24.766 55.326 46.925 1.00 9.57 MOL1 ATOM 379 OD1 ASN 28 25.800 54.650 46.926 1.00 12.29 MOL1 ATOM 380 ND2 ASN 28 24.780 56.652 46.876 1.00 10.33 MOL1 ATOM 381 C ASN 28 21.768 53.210 45.933 1.00 3.94 MOL1 ATOM 382 O ASN 28 21.781 52.084 46.444 1.00 5.59 MOL1 ATOM 383 N PHE 29 20.652 53.814 45.548 1.00 4.25 MOL1 ATOM 384 CA PHE 29 19.355 53.220 45.783 1.00 5.46 MOL1 ATOM 385 CB PHE 29 18.983 53.432 47.260 1.00 3.82 MOL1 ATOM 386 CG PHE 29 17.741 52.682 47.689 1.00 2.42 MOL1 ATOM 387 CD1 PHE 29 16.662 53.358 48.284 1.00 6.74 MOL1 ATOM 388 CD2 PHE 29 17.658 51.316 47.510 1.00 3.88 MOL1 ATOM 389 CE1 PHE 29 15.526 52.692 48.698 1.00 5.65 MOL1 ATOM 390 CE2 PHE 29 16.508 50.597 47.918 1.00 6.60 MOL1 ATOM 391 CZ PHE 29 15.423 51.280 48.523 1.00 5.19 MOL1 ATOM 392 C PHE 29 18.255 53.800 44.901 1.00 5.80 MOL1 ATOM 393 O PHE 29 17.734 54.864 45.145 1.00 5.52 MOL1 ATOM 394 N PRO 30 17.869 53.065 43.825 1.00 4.30 MOL1 ATOM 395 CD PRO 30 18.559 51.873 43.327 1.00 8.45 MOL1 ATOM 396 CA PRO 30 16.809 53.520 42.919 1.00 5.92 MOL1 ATOM 397 CB PRO 30 17.262 52.935 41.562 1.00 6.25 MOL1 ATOM 398 CG PRO 30 17.793 51.603 41.968 1.00 9.66 MOL1 ATOM 399 C PRO 30 15.415 52.990 43.330 1.00 4.41 MOL1 ATOM 400 O PRO 30 15.296 51.927 43.947 1.00 3.97 MOL1 ATOM 401 N MET 31 14.362 53.709 42.951 1.00 3.93 MOL1 ATOM 402 CA MET 31 13.012 53.333 43.302 1.00 5.28 MOL1 ATOM 403 CB MET 31 12.009 54.431 42.905 1.00 3.62 MOL1 ATOM 404 CG MET 31 10.676 54.290 43.642 1.00 6.87 MOL1 ATOM 405 SD MET 31 9.478 55.620 43.292 1.00 5.32 MOL1 ATOM 406 CE MET 31 10.067 56.869 44.471 1.00 7.01 MOL1 ATOM 407 C MET 31 12.581 51.960 42.768 1.00 3.36 MOL1 ATOM 408 O MET 31 11.723 51.302 43.335 1.00 3.30 MOL1 ATOM 409 N GLU 32 13.184 51.518 41.661 1.00 3.31 MOL1 ATOM 410 CA GLU 32 12.845 50.195 41.116 1.00 4.27 MOL1 ATOM 411 CB GLU 32 13.742 49.825 39.922 1.00 5.05 MOL1 ATOM 412 CG GLU 32 13.325 50.444 38.595 1.00 4.95 MOL1 ATOM 413 CD GLU 32 13.899 51.845 38.386 1.00 9.65 MOL1 ATOM 414 OE1 GLU 32 13.779 52.358 37.249 1.00 5.87 MOL1 ATOM 415 OE2 GLU 32 14.455 52.429 39.353 1.00 6.46 MOL1 ATOM 416 C GLU 32 13.061 49.152 42.189 1.00 5.83 MOL1 ATOM 417 O GLU 32 12.281 48.225 42.328 1.00 6.47 MOL1 ATOM 418 N ILE 33 14.191 49.274 42.900 1.00 4.57 MOL1 ATOM 419 CA ILE 33 14.520 48.351 43.978 1.00 4.21 MOL1 ATOM 420 CB ILE 33 16.017 48.507 44.467 1.00 6.83 MOL1 ATOM 421 CG2 ILE 33 16.303 47.565 45.651 1.00 4.67 MOL1 ATOM 422 CG1 ILE 33 16.992 48.231 43.319 1.00 7.87 MOL1 ATOM 423 CD1 ILE 33 16.818 46.904 42.634 1.00 8.57 MOL1 ATOM 424 C ILE 33 13.563 48.522 45.159 1.00 3.05 MOL1 ATOM 425 O ILE 33 13.061 47.545 45.708 1.00 5.27 MOL1 ATOM 426 N ARG 34 13.288 49.766 45.531 1.00 4.36 MOL1 ATOM 427 CA ARG 34 12.361 50.054 46.648 1.00 2.00 MOL1 ATOM 428 CB ARG 34 12.113 51.565 46.753 1.00 4.49 MOL1 ATOM 429 CG ARG 34 11.076 51.955 47.820 1.00 6.13 MOL1 ATOM 430 CD ARG 34 11.670 51.790 49.235 1.00 6.35 MOL1 ATOM 431 NE ARG 34 10.673 51.870 50.297 1.00 5.10 MOL1 ATOM 432 CZ ARG 34 10.039 50.823 50.843 1.00 6.63 MOL1 ATOM 433 NH1 ARG 34 10.276 49.593 50.396 1.00 5.07 MOL1 ATOM 434 NH2 ARG 34 9.270 50.990 51.901 1.00 4.14 MOL1 ATOM 435 C ARG 34 10.998 49.375 46.417 1.00 6.00 MOL1 ATOM 436 O ARG 34 10.351 48.863 47.338 1.00 5.47 MOL1 ATOM 437 N HIS 35 10.532 49.427 45.176 1.00 2.07 MOL1 ATOM 438 CA HIS 35 9.254 48.870 44.819 1.00 3.76 MOL1 ATOM 439 CB HIS 35 8.786 49.556 43.526 1.00 7.12 MOL1 ATOM 440 CG HIS 35 7.467 49.073 43.035 1.00 11.12 MOL1 ATOM 441 CD2 HIS 35 6.205 49.342 43.460 1.00 5.49 MOL1 ATOM 442 ND1 HIS 35 7.338 48.245 41.942 1.00 22.77 MOL1 ATOM 443 CE1 HIS 35 6.049 48.024 41.707 1.00 14.41 MOL1 ATOM 444 NE2 HIS 35 5.347 48.687 42.627 1.00 12.71 MOL1 ATOM 445 C HIS 35 9.208 47.363 44.638 1.00 4.18 MOL1 ATOM 446 O HIS 35 8.433 46.690 45.280 1.00 6.51 MOL1 ATOM 447 N LEU 36 10.059 46.838 43.779 1.00 4.22 MOL1 ATOM 448 CA LEU 36 10.035 45.392 43.466 1.00 4.61 MOL1 ATOM 449 CB LEU 36 10.914 45.086 42.247 1.00 7.41 MOL1 ATOM 450 CG LEU 36 10.493 45.725 40.920 1.00 7.40 MOL1 ATOM 451 CD1 LEU 36 11.628 45.505 39.886 1.00 9.11 MOL1 ATOM 452 CD2 LEU 36 9.141 45.193 40.434 1.00 6.36 MOL1 ATOM 453 C LEU 36 10.460 44.526 44.644 1.00 5.02 MOL1 ATOM 454 O LEU 36 10.041 43.379 44.770 1.00 7.66 MOL1 ATOM 455 N LEU 37 11.338 45.073 45.465 1.00 4.06 MOL1 ATOM 456 CA LEU 37 11.845 44.369 46.637 1.00 4.43 MOL1 ATOM 457 CB LEU 37 13.371 44.206 46.502 1.00 4.19 MOL1 ATOM 458 CG LEU 37 13.771 43.207 45.404 1.00 5.21 MOL1 ATOM 459 CD1 LEU 37 15.239 43.323 45.135 1.00 6.33 MOL1 ATOM 460 CD2 LEU 37 13.381 41.784 45.761 1.00 6.98 MOL1 ATOM 461 C LEU 37 11.455 45.061 47.948 1.00 3.52 MOL1 ATOM 462 O LEU 37 12.219 45.037 48.909 1.00 4.69 MOL1 ATOM 463 N ALA 38 10.277 45.660 47.977 1.00 5.68 MOL1 ATOM 464 CA ALA 38 9.806 46.394 49.164 1.00 6.16 MOL1 ATOM 465 CB ALA 38 8.364 46.886 48.949 1.00 4.65 MOL1 ATOM 466 C ALA 38 9.886 45.552 50.443 1.00 4.08 MOL1 ATOM 467 O ALA 38 10.457 46.003 51.433 1.00 4.54 MOL1 ATOM 468 N GLN 39 9.364 44.324 50.407 1.00 2.53 MOL1 ATOM 469 CA GLN 39 9.376 43.490 51.613 1.00 4.36 MOL1 ATOM 470 CB GLN 39 8.530 42.241 51.414 1.00 5.79 MOL1 ATOM 471 CG GLN 39 7.016 42.512 51.395 1.00 8.36 MOL1 ATOM 472 CD GLN 39 6.239 41.218 51.432 1.00 12.02 MOL1 ATOM 473 OE1 GLN 39 6.517 40.289 50.681 1.00 6.67 MOL1 ATOM 474 NE2 GLN 39 5.299 41.130 52.344 1.00 21.59 MOL1 ATOM 475 C GLN 39 10.798 43.104 52.047 1.00 5.40 MOL1 ATOM 476 O GLN 39 11.147 43.236 53.221 1.00 4.69 MOL1 ATOM 477 N TRP 40 11.656 42.811 51.071 1.00 2.95 MOL1 ATOM 478 CA TRP 40 13.020 42.434 51.400 1.00 2.77 MOL1 ATOM 479 CB TRP 40 13.758 41.906 50.161 1.00 3.72 MOL1 ATOM 480 CG TRP 40 15.152 41.439 50.459 1.00 4.06 MOL1 ATOM 481 CD2 TRP 40 16.346 42.224 50.453 1.00 3.97 MOL1 ATOM 482 CE2 TRP 40 17.395 41.384 50.908 1.00 2.00 MOL1 ATOM 483 CE3 TRP 40 16.674 43.535 50.093 1.00 3.64 MOL1 ATOM 484 CD1 TRP 40 15.504 40.200 50.905 1.00 2.74 MOL1 ATOM 485 NE1 TRP 40 16.839 40.170 51.173 1.00 3.18 MOL1 ATOM 486 CZ2 TRP 40 18.715 41.834 51.076 1.00 4.25 MOL1 ATOM 487 CZ3 TRP 40 18.005 43.987 50.258 1.00 3.02 MOL1 ATOM 488 CH2 TRP 40 19.009 43.130 50.719 1.00 3.52 MOL1 ATOM 489 C TRP 40 13.740 43.650 52.003 1.00 4.92 MOL1 ATOM 490 O TRP 40 14.426 43.548 53.025 1.00 4.36 MOL1 ATOM 491 N ILE 41 13.617 44.804 51.342 1.00 3.25 MOL1 ATOM 492 CA ILE 41 14.209 46.043 51.807 1.00 5.25 MOL1 ATOM 493 CB ILE 41 13.829 47.231 50.848 1.00 4.32 MOL1 ATOM 494 CG2 ILE 41 14.102 48.610 51.547 1.00 7.63 MOL1 ATOM 495 CG1 ILE 41 14.640 47.128 49.535 1.00 4.23 MOL1 ATOM 496 CD1 ILE 41 16.165 47.346 49.674 1.00 4.51 MOL1 ATOM 497 C ILE 41 13.778 46.325 53.264 1.00 5.03 MOL1 ATOM 498 O ILE 41 14.630 46.629 54.108 1.00 6.47 MOL1 ATOM 499 N GLU 42 12.497 46.159 53.537 1.00 3.17 MOL1 ATOM 500 CA GLU 42 11.956 46.426 54.872 1.00 3.92 MOL1 ATOM 501 CB GLU 42 10.451 46.587 54.772 1.00 4.47 MOL1 ATOM 502 CG GLU 42 10.047 47.817 53.965 1.00 4.28 MOL1 ATOM 503 CD GLU 42 8.589 47.842 53.621 1.00 11.56 MOL1 ATOM 504 OE1 GLU 42 7.777 47.294 54.384 1.00 11.69 MOL1 ATOM 505 OE2 GLU 42 8.228 48.465 52.610 1.00 6.79 MOL1 ATOM 506 C GLU 42 12.342 45.396 55.931 1.00 7.11 MOL1 ATOM 507 O GLU 42 12.106 45.585 57.124 1.00 8.81 MOL1 ATOM 508 N THR 43 12.977 44.339 55.526 1.00 4.53 MOL1 ATOM 509 CA THR 43 13.385 43.265 56.450 1.00 5.48 MOL1 ATOM 510 CB THR 43 13.233 41.880 55.751 1.00 5.02 MOL1 ATOM 511 OG1 THR 43 11.856 41.671 55.471 1.00 5.37 MOL1 ATOM 512 CG2 THR 43 13.743 40.721 56.604 1.00 5.15 MOL1 ATOM 513 C THR 43 14.801 43.419 57.026 1.00 8.73 MOL1 ATOM 514 O THR 43 15.096 42.937 58.134 1.00 9.27 MOL1 ATOM 515 N GLN 44 15.647 44.150 56.318 1.00 4.47 MOL1 ATOM 516 CA GLN 44 17.033 44.318 56.736 1.00 5.67 MOL1 ATOM 517 CB GLN 44 17.949 44.502 55.519 1.00 6.21 MOL1 ATOM 518 CG GLN 44 17.504 43.722 54.285 1.00 4.65 MOL1 ATOM 519 CD GLN 44 17.445 42.259 54.497 1.00 5.08 MOL1 ATOM 520 OE1 GLN 44 18.322 41.701 55.128 1.00 5.58 MOL1 ATOM 521 NE2 GLN 44 16.401 41.602 53.988 1.00 3.77 MOL1 ATOM 522 C GLN 44 17.265 45.463 57.718 1.00 8.28 MOL1 ATOM 523 O GLN 44 16.577 46.480 57.676 1.00 6.70 MOL1 ATOM 524 N ASP 45 18.291 45.321 58.545 1.00 7.73 MOL1 ATOM 525 CA ASP 45 18.610 46.357 59.526 1.00 7.83 MOL1 ATOM 526 CB ASP 45 19.151 45.701 60.802 1.00 10.34 MOL1 ATOM 527 CG ASP 45 19.176 46.660 61.967 1.00 19.70 MOL1 ATOM 528 OD1 ASP 45 19.402 46.175 63.098 1.00 25.28 MOL1 ATOM 529 OD2 ASP 45 19.000 47.879 61.773 1.00 12.25 MOL1 ATOM 530 C ASP 45 19.667 47.284 58.927 1.00 4.58 MOL1 ATOM 531 O ASP 45 20.852 47.194 59.225 1.00 5.83 MOL1 ATOM 532 N TRP 46 19.215 48.174 58.049 1.00 4.47 MOL1 ATOM 533 CA TRP 46 20.115 49.101 57.359 1.00 4.53 MOL1 ATOM 534 CB TRP 46 19.320 49.868 56.284 1.00 7.34 MOL1 ATOM 535 CG TRP 46 18.738 48.940 55.251 1.00 4.96 MOL1 ATOM 536 CD2 TRP 46 19.453 48.286 54.226 1.00 5.87 MOL1 ATOM 537 CE2 TRP 46 18.522 47.474 53.513 1.00 3.31 MOL1 ATOM 538 CE3 TRP 46 20.799 48.268 53.820 1.00 4.56 MOL1 ATOM 539 CD1 TRP 46 17.456 48.544 55.147 1.00 4.90 MOL1 ATOM 540 NE1 TRP 46 17.308 47.681 54.107 1.00 4.70 MOL1 ATOM 541 CZ2 TRP 46 18.895 46.680 52.431 1.00 5.39 MOL1 ATOM 542 CZ3 TRP 46 21.179 47.479 52.745 1.00 5.87 MOL1 ATOM 543 CH2 TRP 46 20.224 46.672 52.069 1.00 5.19 MOL1 ATOM 544 C TRP 46 20.824 50.068 58.272 1.00 4.37 MOL1 ATOM 545 O TRP 46 21.929 50.497 58.041 1.00 6.21 MOL1 ATOM 546 N GLU 47 20.101 50.426 59.322 1.00 8.73 MOL1 ATOM 547 CA GLU 47 20.562 51.367 60.312 1.00 13.84 MOL1 ATOM 548 CB GLU 47 19.380 51.646 61.251 1.00 16.33 MOL1 ATOM 549 CG GLU 47 18.015 51.934 60.491 1.00 31.85 MOL1 ATOM 550 CD GLU 47 17.350 50.694 59.807 1.00 44.19 MOL1 ATOM 551 OE1 GLU 47 17.249 49.637 60.451 1.00 26.91 MOL1 ATOM 552 OE2 GLU 47 16.901 50.769 58.632 1.00 33.68 MOL1 ATOM 553 C GLU 47 21.837 50.830 61.012 1.00 8.05 MOL1 ATOM 554 O GLU 47 22.839 51.521 61.101 1.00 11.14 MOL1 ATOM 555 N VAL 48 21.816 49.572 61.439 1.00 11.00 MOL1 ATOM 556 CA VAL 48 23.003 48.960 62.031 1.00 13.00 MOL1 ATOM 557 CB VAL 48 22.660 47.633 62.778 1.00 14.59 MOL1 ATOM 558 CG1 VAL 48 23.933 46.994 63.326 1.00 14.86 MOL1 ATOM 559 CG2 VAL 48 21.728 47.919 63.913 1.00 14.69 MOL1 ATOM 560 C VAL 48 24.109 48.742 60.960 1.00 10.88 MOL1 ATOM 561 O VAL 48 25.281 49.029 61.195 1.00 11.68 MOL1 ATOM 562 N ALA 49 23.728 48.320 59.742 1.00 8.46 MOL1 ATOM 563 CA ALA 49 24.694 48.095 58.664 1.00 8.26 MOL1 ATOM 564 CB ALA 49 23.983 47.505 57.428 1.00 9.90 MOL1 ATOM 565 C ALA 49 25.427 49.375 58.257 1.00 7.37 MOL1 ATOM 566 O ALA 49 26.561 49.327 57.757 1.00 12.50 MOL1 ATOM 567 N SER 50 24.774 50.494 58.477 1.00 7.58 MOL1 ATOM 568 CA SER 50 25.368 51.817 58.107 1.00 9.47 MOL1 ATOM 569 CB SER 50 24.299 52.905 58.381 1.00 15.26 MOL1 ATOM 570 OG SER 50 24.466 53.436 59.683 1.00 32.31 MOL1 ATOM 571 C SER 50 26.589 52.095 58.988 1.00 14.15 MOL1 ATOM 572 O SER 50 27.469 52.858 58.557 1.00 17.16 MOL1 ATOM 573 N ASN 51 26.630 51.529 60.157 1.00 12.90 MOL1 ATOM 574 CA ASN 51 27.988 51.590 60.866 1.00 13.61 MOL1 ATOM 575 CB ASN 51 27.591 51.927 62.305 1.00 20.84 MOL1 ATOM 576 CG ASN 51 26.810 53.233 62.426 1.00 29.01 MOL1 ATOM 577 OD1 ASN 51 27.308 54.287 62.037 1.00 30.65 MOL1 ATOM 578 ND2 ASN 51 25.599 53.225 62.953 1.00 39.28 MOL1 ATOM 579 C ASN 51 28.842 50.357 60.930 1.00 18.15 MOL1 ATOM 580 O ASN 51 29.762 50.304 61.725 1.00 17.71 MOL1 ATOM 581 N ASN 52 28.566 49.360 60.094 1.00 10.23 MOL1 ATOM 582 CA ASN 52 29.305 48.103 60.134 1.00 12.55 MOL1 ATOM 583 CB ASN 52 28.450 47.051 60.864 1.00 11.13 MOL1 ATOM 584 CG ASN 52 29.201 45.768 61.192 1.00 16.40 MOL1 ATOM 585 OD1 ASN 52 29.522 44.966 60.317 1.00 14.42 MOL1 ATOM 586 ND2 ASN 52 29.396 45.513 62.482 1.00 36.13 MOL1 ATOM 587 C ASN 52 29.636 47.616 58.731 1.00 9.33 MOL1 ATOM 588 O ASN 52 28.773 47.148 57.997 1.00 9.84 MOL1 ATOM 589 N GLU 53 30.918 47.752 58.383 1.00 12.08 MOL1 ATOM 590 CA GLU 53 31.476 47.316 57.098 1.00 15.09 MOL1 ATOM 591 CB GLU 53 33.009 47.371 57.160 1.00 19.79 MOL1 ATOM 592 CG GLU 53 33.721 46.724 55.997 1.00 31.20 MOL1 ATOM 593 CD GLU 53 34.939 47.530 55.582 1.00 49.02 MOL1 ATOM 594 OE1 GLU 53 36.070 47.236 56.054 1.00 50.44 MOL1 ATOM 595 OE2 GLU 53 34.774 48.480 54.780 1.00 54.23 MOL1 ATOM 596 C GLU 53 31.054 45.914 56.646 1.00 16.90 MOL1 ATOM 597 O GLU 53 30.516 45.732 55.558 1.00 11.08 MOL1 ATOM 598 N THR 54 31.322 44.923 57.486 1.00 11.54 MOL1 ATOM 599 CA THR 54 30.971 43.550 57.197 1.00 8.20 MOL1 ATOM 600 CB THR 54 31.434 42.620 58.353 1.00 14.56 MOL1 ATOM 601 OG1 THR 54 32.864 42.511 58.331 1.00 20.27 MOL1 ATOM 602 CG2 THR 54 30.823 41.237 58.210 1.00 16.63 MOL1 ATOM 603 C THR 54 29.471 43.382 56.952 1.00 7.98 MOL1 ATOM 604 O THR 54 29.061 42.705 55.998 1.00 8.98 MOL1 ATOM 605 N MET 55 28.652 43.955 57.830 1.00 8.23 MOL1 ATOM 606 CA MET 55 27.214 43.849 57.667 1.00 7.17 MOL1 ATOM 607 CB MET 55 26.455 44.493 58.830 1.00 9.06 MOL1 ATOM 608 CG MET 55 26.554 43.746 60.153 1.00 35.63 MOL1 ATOM 609 SD MET 55 25.292 44.228 61.416 1.00 36.82 MOL1 ATOM 610 CE MET 55 23.885 44.643 60.300 1.00 12.77 MOL1 ATOM 611 C MET 55 26.760 44.519 56.378 1.00 4.00 MOL1 ATOM 612 O MET 55 25.888 43.990 55.712 1.00 6.76 MOL1 ATOM 613 N ALA 56 27.265 45.718 56.103 1.00 5.45 MOL1 ATOM 614 CA ALA 56 26.842 46.443 54.908 1.00 6.32 MOL1 ATOM 615 CB ALA 56 27.479 47.829 54.880 1.00 5.04 MOL1 ATOM 616 C ALA 56 27.182 45.653 53.659 1.00 5.78 MOL1 ATOM 617 O ALA 56 26.430 45.611 52.709 1.00 4.81 MOL1 ATOM 618 N THR 57 28.337 44.986 53.665 1.00 4.45 MOL1 ATOM 619 CA THR 57 28.763 44.203 52.514 1.00 5.69 MOL1 ATOM 620 CB THR 57 30.209 43.704 52.672 1.00 9.31 MOL1 ATOM 621 OG1 THR 57 31.053 44.838 52.878 1.00 14.52 MOL1 ATOM 622 CG2 THR 57 30.687 42.993 51.415 1.00 12.42 MOL1 ATOM 623 C THR 57 27.829 43.020 52.317 1.00 5.53 MOL1 ATOM 624 O THR 57 27.412 42.752 51.164 1.00 6.06 MOL1 ATOM 625 N ILE 58 27.528 42.314 53.402 1.00 4.46 MOL1 ATOM 626 CA ILE 58 26.600 41.177 53.346 1.00 5.08 MOL1 ATOM 627 CB ILE 58 26.428 40.511 54.742 1.00 4.91 MOL1 ATOM 628 CG2 ILE 58 25.190 39.617 54.779 1.00 4.63 MOL1 ATOM 629 CG1 ILE 58 27.719 39.770 55.134 1.00 8.14 MOL1 ATOM 630 CD1 ILE 58 27.748 39.256 56.589 1.00 5.97 MOL1 ATOM 631 C ILE 58 25.228 41.612 52.805 1.00 3.73 MOL1 ATOM 632 O ILE 58 24.640 40.964 51.950 1.00 5.16 MOL1 ATOM 633 N LEU 59 24.708 42.729 53.309 1.00 3.08 MOL1 ATOM 634 CA LEU 59 23.407 43.195 52.833 1.00 4.62 MOL1 ATOM 635 CB LEU 59 22.910 44.398 53.628 1.00 3.13 MOL1 ATOM 636 CG LEU 59 22.558 44.086 55.095 1.00 4.01 MOL1 ATOM 637 CD1 LEU 59 21.900 45.325 55.731 1.00 2.00 MOL1 ATOM 638 CD2 LEU 59 21.650 42.829 55.203 1.00 5.71 MOL1 ATOM 639 C LEU 59 23.379 43.519 51.329 1.00 3.30 MOL1 ATOM 640 O LEU 59 22.407 43.200 50.630 1.00 4.34 MOL1 ATOM 641 N LEU 60 24.455 44.168 50.856 1.00 3.01 MOL1 ATOM 642 CA LEU 60 24.554 44.533 49.440 1.00 5.33 MOL1 ATOM 643 CB LEU 60 25.695 45.532 49.200 1.00 5.43 MOL1 ATOM 644 CG LEU 60 25.830 46.155 47.789 1.00 6.32 MOL1 ATOM 645 CD1 LEU 60 24.478 46.700 47.246 1.00 4.56 MOL1 ATOM 646 CD2 LEU 60 26.871 47.276 47.855 1.00 7.24 MOL1 ATOM 647 C LEU 60 24.702 43.260 48.587 1.00 5.79 MOL1 ATOM 648 O LEU 60 24.107 43.190 47.509 1.00 4.22 MOL1 ATOM 649 N GLN 61 25.528 42.301 49.029 1.00 4.09 MOL1 ATOM 650 CA GLN 61 25.635 41.007 48.337 1.00 5.86 MOL1 ATOM 651 CB GLN 61 26.529 40.043 49.123 1.00 5.47 MOL1 ATOM 652 CG GLN 61 28.009 40.369 49.075 1.00 6.07 MOL1 ATOM 653 CD GLN 61 28.817 39.685 50.198 1.00 8.85 MOL1 ATOM 654 OE1 GLN 61 28.439 38.660 50.731 1.00 11.67 MOL1 ATOM 655 NE2 GLN 61 29.901 40.301 50.573 1.00 6.59 MOL1 ATOM 656 C GLN 61 24.230 40.357 48.218 1.00 4.43 MOL1 ATOM 657 O GLN 61 23.822 39.917 47.139 1.00 4.41 MOL1 ATOM 658 N ASN 62 23.459 40.383 49.294 1.00 2.57 MOL1 ATOM 659 CA ASN 62 22.129 39.765 49.278 1.00 2.82 MOL1 ATOM 660 CB ASN 62 21.626 39.560 50.697 1.00 4.12 MOL1 ATOM 661 CG ASN 62 22.359 38.418 51.401 1.00 7.43 MOL1 ATOM 662 OD1 ASN 62 22.959 37.561 50.755 1.00 7.45 MOL1 ATOM 663 ND2 ASN 62 22.367 38.429 52.741 1.00 5.58 MOL1 ATOM 664 C ASN 62 21.152 40.546 48.445 1.00 2.53 MOL1 ATOM 665 O ASN 62 20.275 39.953 47.815 1.00 3.31 MOL1 ATOM 666 N LEU 63 21.299 41.864 48.415 1.00 2.77 MOL1 ATOM 667 CA LEU 63 20.461 42.731 47.573 1.00 2.65 MOL1 ATOM 668 CB LEU 63 20.836 44.201 47.802 1.00 3.11 MOL1 ATOM 669 CG LEU 63 20.314 45.246 46.808 1.00 9.99 MOL1 ATOM 670 CD1 LEU 63 18.921 44.965 46.424 1.00 16.42 MOL1 ATOM 671 CD2 LEU 63 20.379 46.640 47.457 1.00 14.32 MOL1 ATOM 672 C LEU 63 20.722 42.314 46.085 1.00 3.75 MOL1 ATOM 673 O LEU 63 19.755 42.181 45.305 1.00 3.56 MOL1 ATOM 674 N LEU 64 21.975 42.146 45.729 1.00 3.65 MOL1 ATOM 675 CA LEU 64 22.336 41.728 44.372 1.00 3.48 MOL1 ATOM 676 CB LEU 64 23.859 41.804 44.173 1.00 3.67 MOL1 ATOM 677 CG LEU 64 24.440 43.241 43.986 1.00 6.73 MOL1 ATOM 678 CD1 LEU 64 25.967 43.262 44.164 1.00 4.24 MOL1 ATOM 679 CD2 LEU 64 24.068 43.799 42.591 1.00 7.66 MOL1 ATOM 680 C LEU 64 21.753 40.376 43.992 1.00 5.20 MOL1 ATOM 681 O LEU 64 21.245 40.193 42.879 1.00 4.79 MOL1 ATOM 682 N ILE 65 21.674 39.462 44.983 1.00 3.24 MOL1 ATOM 683 CA ILE 65 21.109 38.149 44.745 1.00 3.97 MOL1 ATOM 684 CB ILE 65 21.370 37.198 45.968 1.00 3.15 MOL1 ATOM 685 CG2 ILE 65 20.512 35.960 45.895 1.00 3.50 MOL1 ATOM 686 CG1 ILE 65 22.823 36.768 45.988 1.00 4.58 MOL1 ATOM 687 CD1 ILE 65 23.264 36.150 47.270 1.00 5.84 MOL1 ATOM 688 C ILE 65 19.592 38.297 44.497 1.00 3.71 MOL1 ATOM 689 O ILE 65 19.046 37.713 43.575 1.00 4.90 MOL1 ATOM 690 N GLN 66 18.913 39.120 45.290 1.00 3.32 MOL1 ATOM 691 CA GLN 66 17.473 39.363 45.099 1.00 2.24 MOL1 ATOM 692 CB GLN 66 16.925 40.217 46.234 1.00 3.15 MOL1 ATOM 693 CG GLN 66 17.006 39.545 47.594 1.00 2.69 MOL1 ATOM 694 CD GLN 66 16.248 38.243 47.624 1.00 4.08 MOL1 ATOM 695 OE1 GLN 66 15.041 38.210 47.420 1.00 7.06 MOL1 ATOM 696 NE2 GLN 66 16.949 37.151 47.835 1.00 6.03 MOL1 ATOM 697 C GLN 66 17.209 40.064 43.760 1.00 4.84 MOL1 ATOM 698 O GLN 66 16.217 39.806 43.107 1.00 3.42 MOL1 ATOM 699 N LEU 67 18.087 41.008 43.421 1.00 2.00 MOL1 ATOM 700 CA LEU 67 17.966 41.712 42.145 1.00 3.98 MOL1 ATOM 701 CB LEU 67 19.067 42.775 42.018 1.00 3.79 MOL1 ATOM 702 CG LEU 67 19.166 43.642 40.738 1.00 6.79 MOL1 ATOM 703 CD1 LEU 67 17.837 44.253 40.433 1.00 13.45 MOL1 ATOM 704 CD2 LEU 67 20.212 44.724 40.900 1.00 6.80 MOL1 ATOM 705 C LEU 67 17.996 40.706 40.975 1.00 5.57 MOL1 ATOM 706 O LEU 67 17.206 40.798 40.024 1.00 5.03 MOL1 ATOM 707 N ASP 68 18.891 39.706 41.031 1.00 3.55 MOL1 ATOM 708 CA ASP 68 18.947 38.687 39.982 1.00 2.46 MOL1 ATOM 709 CB ASP 68 20.161 37.780 40.138 1.00 4.44 MOL1 ATOM 710 CG ASP 68 21.330 38.204 39.220 1.00 22.70 MOL1 ATOM 711 OD1 ASP 68 21.292 39.340 38.652 1.00 13.16 MOL1 ATOM 712 OD2 ASP 68 22.258 37.410 39.019 1.00 22.30 MOL1 ATOM 713 C ASP 68 17.656 37.881 39.895 1.00 4.87 MOL1 ATOM 714 O ASP 68 17.200 37.578 38.793 1.00 6.32 MOL1 ATOM 715 N GLU 69 17.057 37.539 41.038 1.00 2.55 MOL1 ATOM 716 CA GLU 69 15.773 36.825 41.041 1.00 2.28 MOL1 ATOM 717 CB GLU 69 15.321 36.492 42.467 1.00 4.34 MOL1 ATOM 718 CG GLU 69 16.196 35.462 43.146 1.00 6.37 MOL1 ATOM 719 CD GLU 69 15.590 34.857 44.391 1.00 6.37 MOL1 ATOM 720 OE1 GLU 69 14.498 35.256 44.781 1.00 6.46 MOL1 ATOM 721 OE2 GLU 69 16.239 33.981 44.970 1.00 8.35 MOL1 ATOM 722 C GLU 69 14.702 37.689 40.374 1.00 3.02 MOL1 ATOM 723 O GLU 69 13.866 37.200 39.622 1.00 3.47 MOL1 ATOM 724 N GLN 70 14.724 38.984 40.646 1.00 3.57 MOL1 ATOM 725 CA GLN 70 13.760 39.914 40.062 1.00 2.88 MOL1 ATOM 726 CB GLN 70 13.964 41.314 40.623 1.00 4.13 MOL1 ATOM 727 CG GLN 70 13.489 41.444 42.065 1.00 10.40 MOL1 ATOM 728 CD GLN 70 12.089 40.919 42.229 1.00 13.49 MOL1 ATOM 729 OE1 GLN 70 11.168 41.388 41.582 1.00 10.93 MOL1 ATOM 730 NE2 GLN 70 11.936 39.905 43.057 1.00 19.65 MOL1 ATOM 731 C GLN 70 13.975 39.928 38.559 1.00 4.52 MOL1 ATOM 732 O GLN 70 13.000 39.934 37.805 1.00 6.30 MOL1 ATOM 733 N LEU 71 15.242 39.956 38.131 1.00 4.21 MOL1 ATOM 734 CA LEU 71 15.556 39.961 36.699 1.00 5.17 MOL1 ATOM 735 CB LEU 71 17.043 40.137 36.464 1.00 4.94 MOL1 ATOM 736 CG LEU 71 17.410 41.608 36.359 1.00 7.34 MOL1 ATOM 737 CD1 LEU 71 18.916 41.783 36.479 1.00 8.84 MOL1 ATOM 738 CD2 LEU 71 16.857 42.201 35.048 1.00 8.42 MOL1 ATOM 739 C LEU 71 15.033 38.696 36.016 1.00 5.46 MOL1 ATOM 740 O LEU 71 14.495 38.779 34.915 1.00 6.56 MOL1 ATOM 741 N GLY 72 15.117 37.559 36.687 1.00 4.40 MOL1 ATOM 742 CA GLY 72 14.581 36.329 36.115 1.00 5.55 MOL1 ATOM 743 C GLY 72 13.069 36.419 35.957 1.00 7.33 MOL1 ATOM 744 O GLY 72 12.530 35.975 34.926 1.00 6.48 MOL1 ATOM 745 N ARG 73 12.389 37.028 36.929 1.00 3.36 MOL1 ATOM 746 CA ARG 73 10.949 37.164 36.888 1.00 4.05 MOL1 ATOM 747 CB ARG 73 10.439 37.650 38.237 1.00 6.30 MOL1 ATOM 748 CG ARG 73 8.953 37.961 38.312 1.00 8.29 MOL1 ATOM 749 CD ARG 73 8.586 38.451 39.694 1.00 12.66 MOL1 ATOM 750 NE ARG 73 7.206 38.893 39.790 1.00 16.09 MOL1 ATOM 751 CZ ARG 73 6.591 39.185 40.946 1.00 18.87 MOL1 ATOM 752 NH1 ARG 73 7.221 39.069 42.130 1.00 14.87 MOL1 ATOM 753 NH2 ARG 73 5.348 39.664 40.894 1.00 18.50 MOL1 ATOM 754 C ARG 73 10.467 38.103 35.780 1.00 5.07 MOL1 ATOM 755 O ARG 73 9.557 37.747 34.991 1.00 6.79 MOL1 ATOM 756 N VAL 74 11.050 39.304 35.712 1.00 4.64 MOL1 ATOM 757 CA VAL 74 10.628 40.233 34.663 1.00 5.59 MOL1 ATOM 758 CB VAL 74 11.084 41.696 34.895 1.00 4.39 MOL1 ATOM 759 CG1 VAL 74 10.392 42.248 36.159 1.00 7.60 MOL1 ATOM 760 CG2 VAL 74 12.617 41.835 34.958 1.00 4.00 MOL1 ATOM 761 C VAL 74 11.033 39.735 33.260 1.00 5.56 MOL1 ATOM 762 O VAL 74 10.385 40.118 32.265 1.00 6.00 MOL1 ATOM 763 N SER 75 12.068 38.908 33.187 1.00 6.42 MOL1 ATOM 764 CA SER 75 12.451 38.335 31.891 1.00 5.10 MOL1 ATOM 765 CB SER 75 13.807 37.625 31.958 1.00 5.50 MOL1 ATOM 766 OG SER 75 14.849 38.539 32.176 1.00 10.61 MOL1 ATOM 767 C SER 75 11.343 37.368 31.457 1.00 12.13 MOL1 ATOM 768 O SER 75 10.891 37.476 30.328 1.00 8.93 MOL1 ATOM 769 N LYS 76 10.881 36.514 32.363 1.00 5.68 MOL1 ATOM 770 CA LYS 76 9.813 35.558 32.083 1.00 8.62 MOL1 ATOM 771 CB LYS 76 9.581 34.619 33.281 1.00 11.21 MOL1 ATOM 772 CG LYS 76 8.683 33.398 33.007 1.00 29.07 MOL1 ATOM 773 CD LYS 76 8.908 32.265 34.049 1.00 44.08 MOL1 ATOM 774 CE LYS 76 7.994 31.006 33.866 1.00 50.47 MOL1 ATOM 775 NZ LYS 76 8.365 30.042 32.743 1.00 44.94 MOL1 ATOM 776 C LYS 76 8.545 36.314 31.723 1.00 8.69 MOL1 ATOM 777 O LYS 76 7.836 35.933 30.782 1.00 11.07 MOL1 ATOM 778 N GLU 77 8.301 37.437 32.397 1.00 7.05 MOL1 ATOM 779 CA GLU 77 7.125 38.249 32.141 1.00 6.95 MOL1 ATOM 780 CB GLU 77 6.845 39.185 33.312 1.00 9.98 MOL1 ATOM 781 CG GLU 77 6.433 38.482 34.605 1.00 11.57 MOL1 ATOM 782 CD GLU 77 6.435 39.400 35.829 1.00 15.71 MOL1 ATOM 783 OE1 GLU 77 6.983 40.525 35.769 1.00 14.18 MOL1 ATOM 784 OE2 GLU 77 5.987 38.939 36.889 1.00 15.51 MOL1 ATOM 785 C GLU 77 7.322 39.101 30.887 1.00 7.04 MOL1 ATOM 786 O GLU 77 6.353 39.654 30.383 1.00 10.90 MOL1 ATOM 787 N LYS 78 8.531 39.137 30.356 1.00 7.37 MOL1 ATOM 788 CA LYS 78 8.853 39.958 29.180 1.00 6.35 MOL1 ATOM 789 CB LYS 78 8.189 39.427 27.895 1.00 8.04 MOL1 ATOM 790 CG LYS 78 8.620 38.011 27.552 1.00 13.25 MOL1 ATOM 791 CD LYS 78 7.979 37.498 26.271 1.00 13.21 MOL1 ATOM 792 CE LYS 78 8.684 38.032 25.046 1.00 11.82 MOL1 ATOM 793 NZ LYS 78 8.085 37.487 23.774 1.00 12.62 MOL1 ATOM 794 C LYS 78 8.532 41.439 29.428 1.00 9.75 MOL1 ATOM 795 O LYS 78 8.030 42.126 28.552 1.00 8.82 MOL1 ATOM 796 N ASN 79 8.815 41.941 30.619 1.00 4.57 MOL1 ATOM 797 CA ASN 79 8.584 43.355 30.893 1.00 6.82 MOL1 ATOM 798 CB ASN 79 8.366 43.583 32.368 1.00 5.69 MOL1 ATOM 799 CG ASN 79 7.959 44.997 32.652 1.00 3.82 MOL1 ATOM 800 OD1 ASN 79 8.572 45.938 32.128 1.00 5.20 MOL1 ATOM 801 ND2 ASN 79 6.962 45.175 33.537 1.00 6.88 MOL1 ATOM 802 C ASN 79 9.852 44.079 30.438 1.00 5.90 MOL1 ATOM 803 O ASN 79 10.841 44.198 31.157 1.00 4.93 MOL1 ATOM 804 N LEU 80 9.846 44.534 29.189 1.00 4.38 MOL1 ATOM 805 CA LEU 80 11.039 45.147 28.615 1.00 5.63 MOL1 ATOM 806 CB LEU 80 10.756 45.611 27.169 1.00 6.01 MOL1 ATOM 807 CG LEU 80 10.232 44.534 26.200 1.00 9.00 MOL1 ATOM 808 CD1 LEU 80 10.287 45.063 24.738 1.00 8.02 MOL1 ATOM 809 CD2 LEU 80 11.044 43.295 26.316 1.00 10.08 MOL1 ATOM 810 C LEU 80 11.674 46.289 29.427 1.00 2.60 MOL1 ATOM 811 O LEU 80 12.887 46.271 29.671 1.00 3.68 MOL1 ATOM 812 N LEU 81 10.857 47.236 29.817 1.00 3.03 MOL1 ATOM 813 CA LEU 81 11.314 48.387 30.566 1.00 4.36 MOL1 ATOM 814 CB LEU 81 10.147 49.333 30.869 1.00 3.90 MOL1 ATOM 815 CG LEU 81 10.512 50.552 31.706 1.00 6.40 MOL1 ATOM 816 CD1 LEU 81 11.676 51.341 31.043 1.00 7.13 MOL1 ATOM 817 CD2 LEU 81 9.268 51.394 31.896 1.00 8.01 MOL1 ATOM 818 C LEU 81 12.040 47.978 31.835 1.00 3.81 MOL1 ATOM 819 O LEU 81 13.115 48.484 32.168 1.00 4.84 MOL1 ATOM 820 N LEU 82 11.446 47.058 32.580 1.00 3.69 MOL1 ATOM 821 CA LEU 82 12.079 46.647 33.843 1.00 4.64 MOL1 ATOM 822 CB LEU 82 11.075 45.936 34.777 1.00 4.97 MOL1 ATOM 823 CG LEU 82 9.988 46.840 35.380 1.00 7.44 MOL1 ATOM 824 CD1 LEU 82 9.091 46.031 36.282 1.00 6.91 MOL1 ATOM 825 CD2 LEU 82 10.600 48.035 36.093 1.00 6.35 MOL1 ATOM 826 C LEU 82 13.341 45.842 33.624 1.00 4.97 MOL1 ATOM 827 O LEU 82 14.298 45.993 34.375 1.00 3.87 MOL1 ATOM 828 N ILE 83 13.357 44.971 32.629 1.00 3.61 MOL1 ATOM 829 CA ILE 83 14.581 44.214 32.359 1.00 3.05 MOL1 ATOM 830 CB ILE 83 14.439 43.275 31.129 1.00 3.83 MOL1 ATOM 831 CG2 ILE 83 15.750 42.551 30.789 1.00 3.37 MOL1 ATOM 832 CG1 ILE 83 13.340 42.241 31.372 1.00 7.36 MOL1 ATOM 833 CD1 ILE 83 12.794 41.606 30.063 1.00 5.88 MOL1 ATOM 834 C ILE 83 15.706 45.193 32.043 1.00 3.10 MOL1 ATOM 835 O ILE 83 16.811 45.130 32.598 1.00 4.02 MOL1 ATOM 836 N HIS 84 15.386 46.128 31.145 1.00 2.70 MOL1 ATOM 837 CA HIS 84 16.350 47.125 30.707 1.00 3.47 MOL1 ATOM 838 CB HIS 84 15.676 48.034 29.648 1.00 3.12 MOL1 ATOM 839 CG HIS 84 16.533 49.102 29.117 1.00 3.63 MOL1 ATOM 840 CD2 HIS 84 17.563 49.064 28.170 1.00 2.00 MOL1 ATOM 841 ND1 HIS 84 16.418 50.427 29.443 1.00 6.70 MOL1 ATOM 842 CE1 HIS 84 17.282 51.169 28.760 1.00 2.00 MOL1 ATOM 843 NE2 HIS 84 17.968 50.334 27.989 1.00 11.51 MOL1 ATOM 844 C HIS 84 16.873 47.959 31.893 1.00 4.05 MOL1 ATOM 845 O HIS 84 18.069 48.117 32.095 1.00 3.32 MOL1 ATOM 846 N ASN 85 15.948 48.508 32.686 1.00 3.32 MOL1 ATOM 847 CA ASN 85 16.311 49.342 33.846 1.00 3.57 MOL1 ATOM 848 CB ASN 85 15.061 49.995 34.485 1.00 3.87 MOL1 ATOM 849 CG ASN 85 14.561 51.198 33.702 1.00 6.69 MOL1 ATOM 850 OD1 ASN 85 13.602 51.862 34.114 1.00 11.99 MOL1 ATOM 851 ND2 ASN 85 15.117 51.421 32.523 1.00 2.55 MOL1 ATOM 852 C ASN 85 17.052 48.539 34.912 1.00 3.62 MOL1 ATOM 853 O ASN 85 18.036 49.020 35.465 1.00 3.96 MOL1 ATOM 854 N LEU 86 16.583 47.360 35.218 1.00 3.60 MOL1 ATOM 855 CA LEU 86 17.249 46.534 36.239 1.00 5.25 MOL1 ATOM 856 CB LEU 86 16.424 45.302 36.604 1.00 4.11 MOL1 ATOM 857 CG LEU 86 15.141 45.547 37.424 1.00 5.76 MOL1 ATOM 858 CD1 LEU 86 14.434 44.232 37.680 1.00 5.04 MOL1 ATOM 859 CD2 LEU 86 15.451 46.269 38.752 1.00 8.01 MOL1 ATOM 860 C LEU 86 18.681 46.152 35.905 1.00 4.95 MOL1 ATOM 861 O LEU 86 19.525 46.126 36.803 1.00 6.00 MOL1 ATOM 862 N LYS 87 18.964 45.820 34.654 1.00 3.33 MOL1 ATOM 863 CA LYS 87 20.345 45.492 34.291 1.00 5.81 MOL1 ATOM 864 CB LYS 87 20.442 44.874 32.885 1.00 5.39 MOL1 ATOM 865 CG LYS 87 19.848 43.488 32.838 1.00 5.87 MOL1 ATOM 866 CD LYS 87 20.187 42.806 31.537 1.00 8.12 MOL1 ATOM 867 CE LYS 87 19.653 41.396 31.541 1.00 10.59 MOL1 ATOM 868 NZ LYS 87 20.085 40.630 30.353 1.00 12.80 MOL1 ATOM 869 C LYS 87 21.294 46.686 34.449 1.00 3.53 MOL1 ATOM 870 O LYS 87 22.427 46.517 34.835 1.00 4.87 MOL1 ATOM 871 N ARG 88 20.815 47.890 34.160 1.00 3.42 MOL1 ATOM 872 CA ARG 88 21.643 49.084 34.326 1.00 4.23 MOL1 ATOM 873 CB ARG 88 20.966 50.277 33.674 1.00 3.70 MOL1 ATOM 874 CG ARG 88 20.968 50.198 32.166 1.00 6.50 MOL1 ATOM 875 CD ARG 88 20.475 51.485 31.542 1.00 8.02 MOL1 ATOM 876 NE ARG 88 20.627 51.438 30.103 1.00 5.60 MOL1 ATOM 877 CZ ARG 88 20.474 52.477 29.323 1.00 8.02 MOL1 ATOM 878 NH1 ARG 88 20.147 53.644 29.845 1.00 6.14 MOL1 ATOM 879 NH2 ARG 88 20.683 52.335 28.003 1.00 6.90 MOL1 ATOM 880 C ARG 88 21.869 49.343 35.838 1.00 2.27 MOL1 ATOM 881 O ARG 88 22.967 49.654 36.269 1.00 3.38 MOL1 ATOM 882 N ILE 89 20.822 49.108 36.624 1.00 4.11 MOL1 ATOM 883 CA ILE 89 20.903 49.263 38.078 1.00 4.93 MOL1 ATOM 884 CB ILE 89 19.478 49.105 38.728 1.00 3.67 MOL1 ATOM 885 CG2 ILE 89 19.577 48.811 40.215 1.00 4.02 MOL1 ATOM 886 CG1 ILE 89 18.639 50.354 38.404 1.00 5.67 MOL1 ATOM 887 CD1 ILE 89 17.160 50.166 38.640 1.00 6.38 MOL1 ATOM 888 C ILE 89 21.917 48.251 38.637 1.00 5.33 MOL1 ATOM 889 O ILE 89 22.708 48.552 39.522 1.00 4.05 MOL1 ATOM 890 N ARG 90 21.832 47.001 38.178 1.00 2.64 MOL1 ATOM 891 CA ARG 90 22.790 45.977 38.607 1.00 2.99 MOL1 ATOM 892 CB ARG 90 22.544 44.657 37.881 1.00 2.99 MOL1 ATOM 893 CG ARG 90 23.400 43.544 38.381 1.00 5.70 MOL1 ATOM 894 CD ARG 90 23.015 42.227 37.744 1.00 6.57 MOL1 ATOM 895 NE ARG 90 23.218 42.209 36.290 1.00 9.08 MOL1 ATOM 896 CZ ARG 90 22.722 41.279 35.470 1.00 6.51 MOL1 ATOM 897 NH1 ARG 90 21.985 40.307 35.953 1.00 11.15 MOL1 ATOM 898 NH2 ARG 90 23.006 41.320 34.182 1.00 10.54 MOL1 ATOM 899 C ARG 90 24.249 46.429 38.398 1.00 4.23 MOL1 ATOM 900 O ARG 90 25.063 46.325 39.304 1.00 4.86 MOL1 ATOM 901 N LYS 91 24.577 46.978 37.238 1.00 3.65 MOL1 ATOM 902 CA LYS 91 25.939 47.474 36.968 1.00 4.08 MOL1 ATOM 903 CB LYS 91 26.040 48.121 35.584 1.00 7.04 MOL1 ATOM 904 CG LYS 91 26.001 47.196 34.460 1.00 11.37 MOL1 ATOM 905 CD LYS 91 26.415 47.956 33.165 1.00 14.63 MOL1 ATOM 906 CE LYS 91 26.392 47.055 31.935 1.00 40.67 MOL1 ATOM 907 NZ LYS 91 26.885 47.710 30.678 1.00 30.75 MOL1 ATOM 908 C LYS 91 26.333 48.541 37.994 1.00 3.88 MOL1 ATOM 909 O LYS 91 27.443 48.486 38.518 1.00 6.71 MOL1 ATOM 910 N VAL 92 25.438 49.478 38.276 1.00 3.24 MOL1 ATOM 911 CA VAL 92 25.740 50.543 39.241 1.00 5.52 MOL1 ATOM 912 CB VAL 92 24.603 51.596 39.325 1.00 8.30 MOL1 ATOM 913 CG1 VAL 92 24.887 52.626 40.399 1.00 6.77 MOL1 ATOM 914 CG2 VAL 92 24.426 52.298 37.974 1.00 7.59 MOL1 ATOM 915 C VAL 92 25.977 49.952 40.622 1.00 4.78 MOL1 ATOM 916 O VAL 92 26.917 50.314 41.314 1.00 6.06 MOL1 ATOM 917 N LEU 93 25.095 49.043 41.028 1.00 5.69 MOL1 ATOM 918 CA LEU 93 25.214 48.411 42.349 1.00 5.09 MOL1 ATOM 919 CB LEU 93 23.936 47.654 42.746 1.00 6.61 MOL1 ATOM 920 CG LEU 93 22.746 48.591 43.025 1.00 6.52 MOL1 ATOM 921 CD1 LEU 93 21.536 47.788 43.425 1.00 5.61 MOL1 ATOM 922 CD2 LEU 93 23.095 49.641 44.097 1.00 9.59 MOL1 ATOM 923 C LEU 93 26.475 47.553 42.501 1.00 5.15 MOL1 ATOM 924 O LEU 93 27.036 47.473 43.607 1.00 4.54 MOL1 ATOM 925 N GLN 94 26.904 46.925 41.409 1.00 5.08 MOL1 ATOM 926 CA GLN 94 28.139 46.143 41.416 1.00 5.72 MOL1 ATOM 927 CB GLN 94 28.385 45.485 40.065 1.00 3.54 MOL1 ATOM 928 CG GLN 94 27.589 44.269 39.797 1.00 6.20 MOL1 ATOM 929 CD GLN 94 27.746 43.826 38.336 1.00 7.27 MOL1 ATOM 930 OE1 GLN 94 27.131 44.386 37.469 1.00 8.14 MOL1 ATOM 931 NE2 GLN 94 28.613 42.881 38.064 1.00 5.62 MOL1 ATOM 932 C GLN 94 29.299 47.058 41.741 1.00 3.84 MOL1 ATOM 933 O GLN 94 30.204 46.716 42.458 1.00 6.43 MOL1 ATOM 934 N GLY 95 29.243 48.269 41.197 1.00 4.69 MOL1 ATOM 935 CA GLY 95 30.271 49.257 41.460 1.00 5.94 MOL1 ATOM 936 C GLY 95 30.241 49.705 42.934 1.00 6.45 MOL1 ATOM 937 O GLY 95 31.276 49.955 43.538 1.00 7.01 MOL1 ATOM 938 N LYS 96 29.044 49.813 43.514 1.00 5.56 MOL1 ATOM 939 CA LYS 96 28.917 50.183 44.918 1.00 6.53 MOL1 ATOM 940 CB LYS 96 27.447 50.431 45.293 1.00 7.60 MOL1 ATOM 941 CG LYS 96 26.789 51.564 44.518 1.00 7.54 MOL1 ATOM 942 CD LYS 96 27.549 52.869 44.696 1.00 13.28 MOL1 ATOM 943 CE LYS 96 26.895 53.931 43.861 1.00 18.83 MOL1 ATOM 944 NZ LYS 96 27.539 55.252 44.024 1.00 21.05 MOL1 ATOM 945 C LYS 96 29.499 49.054 45.776 1.00 8.33 MOL1 ATOM 946 O LYS 96 30.132 49.326 46.782 1.00 9.93 MOL1 ATOM 947 N PHE 97 29.262 47.801 45.413 1.00 6.27 MOL1 ATOM 948 CA PHE 97 29.833 46.669 46.146 1.00 7.71 MOL1 ATOM 949 CB PHE 97 29.417 45.308 45.522 1.00 6.96 MOL1 ATOM 950 CG PHE 97 30.226 44.132 46.025 1.00 5.14 MOL1 ATOM 951 CD1 PHE 97 29.868 43.470 47.205 1.00 6.58 MOL1 ATOM 952 CD2 PHE 97 31.321 43.676 45.307 1.00 7.85 MOL1 ATOM 953 CE1 PHE 97 30.617 42.369 47.638 1.00 7.12 MOL1 ATOM 954 CE2 PHE 97 32.062 42.584 45.735 1.00 8.80 MOL1 ATOM 955 CZ PHE 97 31.712 41.934 46.893 1.00 9.46 MOL1 ATOM 956 C PHE 97 31.392 46.777 46.212 1.00 8.58 MOL1 ATOM 957 O PHE 97 31.970 46.484 47.227 1.00 8.74 MOL1 ATOM 958 N HIS 98 32.029 47.168 45.130 1.00 7.18 MOL1 ATOM 959 CA HIS 98 33.459 47.285 45.101 1.00 9.61 MOL1 ATOM 960 CB HIS 98 33.981 47.134 43.680 1.00 8.66 MOL1 ATOM 961 CG HIS 98 33.936 45.718 43.187 1.00 6.96 MOL1 ATOM 962 CD2 HIS 98 34.797 44.700 43.374 1.00 4.87 MOL1 ATOM 963 ND1 HIS 98 32.862 45.209 42.499 1.00 6.57 MOL1 ATOM 964 CE1 HIS 98 33.062 43.925 42.292 1.00 2.60 MOL1 ATOM 965 NE2 HIS 98 34.230 43.586 42.815 1.00 12.71 MOL1 ATOM 966 C HIS 98 33.929 48.589 45.714 1.00 12.84 MOL1 ATOM 967 O HIS 98 35.078 48.736 46.037 1.00 16.47 MOL1 ATOM 968 N GLY 99 33.016 49.513 45.931 1.00 6.94 MOL1 ATOM 969 CA GLY 99 33.386 50.791 46.504 1.00 8.09 MOL1 ATOM 970 C GLY 99 33.063 50.998 47.973 1.00 12.22 MOL1 ATOM 971 O GLY 99 33.849 50.644 48.855 1.00 27.13 MOL1 ATOM 972 N ASN 100 31.841 51.433 48.239 1.00 13.20 MOL1 ATOM 973 CA ASN 100 31.405 51.759 49.603 1.00 12.30 MOL1 ATOM 974 CB ASN 100 31.383 53.292 49.685 1.00 20.73 MOL1 ATOM 975 CG ASN 100 31.342 53.825 51.106 1.00 23.75 MOL1 ATOM 976 OD1 ASN 100 31.550 55.027 51.319 1.00 46.72 MOL1 ATOM 977 ND2 ASN 100 31.094 52.966 52.076 1.00 15.67 MOL1 ATOM 978 C ASN 100 30.026 51.203 49.969 1.00 8.07 MOL1 ATOM 979 O ASN 100 29.046 51.942 49.917 1.00 10.98 MOL1 ATOM 980 N PRO 101 29.924 49.903 50.366 1.00 5.41 MOL1 ATOM 981 CD PRO 101 30.963 48.853 50.410 1.00 7.37 MOL1 ATOM 982 CA PRO 101 28.618 49.354 50.734 1.00 7.00 MOL1 ATOM 983 CB PRO 101 28.947 47.895 51.103 1.00 8.30 MOL1 ATOM 984 CG PRO 101 30.153 47.590 50.296 1.00 12.24 MOL1 ATOM 985 C PRO 101 27.934 50.056 51.906 1.00 8.06 MOL1 ATOM 986 O PRO 101 26.718 50.109 51.969 1.00 7.70 MOL1 ATOM 987 N MET 102 28.718 50.582 52.851 1.00 6.61 MOL1 ATOM 988 CA MET 102 28.145 51.259 54.016 1.00 8.67 MOL1 ATOM 989 CB MET 102 29.230 51.733 54.974 1.00 12.63 MOL1 ATOM 990 CG MET 102 29.608 50.772 56.047 1.00 27.07 MOL1 ATOM 991 SD MET 102 30.798 51.576 57.186 1.00 28.48 MOL1 ATOM 992 CE MET 102 30.229 53.274 57.107 1.00 20.69 MOL1 ATOM 993 C MET 102 27.311 52.447 53.603 1.00 8.26 MOL1 ATOM 994 O MET 102 26.244 52.718 54.190 1.00 9.99 MOL1 ATOM 995 N HIS 103 27.784 53.160 52.571 1.00 6.19 MOL1 ATOM 996 CA HIS 103 27.029 54.310 52.114 1.00 13.67 MOL1 ATOM 997 CB HIS 103 27.818 55.199 51.153 1.00 11.11 MOL1 ATOM 998 CG HIS 103 27.140 56.486 50.887 1.00 14.70 MOL1 ATOM 999 CD2 HIS 103 26.759 57.490 51.724 1.00 10.66 MOL1 ATOM 1000 ND1 HIS 103 26.619 56.804 49.650 1.00 16.02 MOL1 ATOM 1001 CE1 HIS 103 25.945 57.940 49.744 1.00 11.39 MOL1 ATOM 1002 NE2 HIS 103 26.017 58.370 50.984 1.00 20.32 MOL1 ATOM 1003 C HIS 103 25.661 53.943 51.531 1.00 11.13 MOL1 ATOM 1004 O HIS 103 24.698 54.732 51.654 1.00 9.52 MOL1 ATOM 1005 N VAL 104 25.588 52.804 50.840 1.00 6.06 MOL1 ATOM 1006 CA VAL 104 24.306 52.322 50.330 1.00 6.29 MOL1 ATOM 1007 CB VAL 104 24.490 50.949 49.560 1.00 10.86 MOL1 ATOM 1008 CG1 VAL 104 23.130 50.355 49.151 1.00 6.89 MOL1 ATOM 1009 CG2 VAL 104 25.413 51.130 48.355 1.00 7.99 MOL1 ATOM 1010 C VAL 104 23.352 52.116 51.562 1.00 7.40 MOL1 ATOM 1011 O VAL 104 22.187 52.519 51.527 1.00 5.29 MOL1 ATOM 1012 N ALA 105 23.875 51.528 52.650 1.00 5.37 MOL1 ATOM 1013 CA ALA 105 23.066 51.275 53.847 1.00 6.28 MOL1 ATOM 1014 CB ALA 105 23.890 50.515 54.883 1.00 5.41 MOL1 ATOM 1015 C ALA 105 22.555 52.607 54.407 1.00 2.37 MOL1 ATOM 1016 O ALA 105 21.415 52.687 54.866 1.00 3.40 MOL1 ATOM 1017 N VAL 106 23.403 53.629 54.388 1.00 3.95 MOL1 ATOM 1018 CA VAL 106 23.047 54.963 54.881 1.00 5.03 MOL1 ATOM 1019 CB VAL 106 24.212 55.974 54.750 1.00 7.77 MOL1 ATOM 1020 CG1 VAL 106 23.729 57.386 55.062 1.00 8.40 MOL1 ATOM 1021 CG2 VAL 106 25.370 55.578 55.673 1.00 8.79 MOL1 ATOM 1022 C VAL 106 21.861 55.492 54.061 1.00 6.19 MOL1 ATOM 1023 O VAL 106 20.843 55.924 54.590 1.00 6.94 MOL1 ATOM 1024 N VAL 107 21.988 55.441 52.746 1.00 5.83 MOL1 ATOM 1025 CA VAL 107 20.921 55.946 51.892 1.00 6.06 MOL1 ATOM 1026 CB VAL 107 21.369 55.924 50.384 1.00 6.83 MOL1 ATOM 1027 CG1 VAL 107 20.217 56.313 49.446 1.00 5.86 MOL1 ATOM 1028 CG2 VAL 107 22.580 56.846 50.190 1.00 5.06 MOL1 ATOM 1029 C VAL 107 19.604 55.213 52.100 1.00 3.55 MOL1 ATOM 1030 O VAL 107 18.560 55.818 52.188 1.00 4.97 MOL1 ATOM 1031 N ILE 108 19.647 53.872 52.146 1.00 4.07 MOL1 ATOM 1032 CA ILE 108 18.398 53.126 52.355 1.00 6.87 MOL1 ATOM 1033 CB ILE 108 18.634 51.589 52.149 1.00 4.99 MOL1 ATOM 1034 CG2 ILE 108 17.338 50.803 52.345 1.00 5.02 MOL1 ATOM 1035 CG1 ILE 108 19.137 51.338 50.722 1.00 3.91 MOL1 ATOM 1036 CD1 ILE 108 19.488 49.916 50.409 1.00 5.27 MOL1 ATOM 1037 C ILE 108 17.781 53.435 53.747 1.00 4.25 MOL1 ATOM 1038 O ILE 108 16.587 53.618 53.911 1.00 5.28 MOL1 ATOM 1039 N SER 109 18.647 53.494 54.749 1.00 4.61 MOL1 ATOM 1040 CA SER 109 18.207 53.795 56.120 1.00 5.65 MOL1 ATOM 1041 CB SER 109 19.412 53.848 57.060 1.00 6.67 MOL1 ATOM 1042 OG SER 109 20.086 52.598 57.055 1.00 22.72 MOL1 ATOM 1043 C SER 109 17.493 55.145 56.139 1.00 4.51 MOL1 ATOM 1044 O SER 109 16.370 55.263 56.678 1.00 7.14 MOL1 ATOM 1045 N ASN 110 18.067 56.171 55.508 1.00 5.13 MOL1 ATOM 1046 CA ASN 110 17.454 57.516 55.457 1.00 4.71 MOL1 ATOM 1047 CB ASN 110 18.391 58.509 54.747 1.00 4.55 MOL1 ATOM 1048 CG ASN 110 19.633 58.850 55.549 1.00 9.73 MOL1 ATOM 1049 OD1 ASN 110 19.724 58.515 56.721 1.00 11.81 MOL1 ATOM 1050 ND2 ASN 110 20.619 59.466 54.915 1.00 13.65 MOL1 ATOM 1051 C ASN 110 16.123 57.483 54.713 1.00 3.68 MOL1 ATOM 1052 O ASN 110 15.152 58.109 55.104 1.00 4.38 MOL1 ATOM 1053 N CYS 111 16.098 56.774 53.617 1.00 3.52 MOL1 ATOM 1054 CA CYS 111 14.892 56.690 52.807 1.00 4.45 MOL1 ATOM 1055 CB CYS 111 15.183 55.846 51.568 1.00 5.69 MOL1 ATOM 1056 SG CYS 111 13.776 55.672 50.422 1.00 9.91 MOL1 ATOM 1057 C CYS 111 13.720 56.089 53.618 1.00 3.04 MOL1 ATOM 1058 O CYS 111 12.617 56.635 53.641 1.00 4.88 MOL1 ATOM 1059 N LEU 112 13.977 54.976 54.290 1.00 4.56 MOL1 ATOM 1060 CA LEU 112 12.930 54.338 55.076 1.00 3.16 MOL1 ATOM 1061 CB LEU 112 13.402 52.987 55.585 1.00 6.28 MOL1 ATOM 1062 CG LEU 112 13.658 51.936 54.513 1.00 7.19 MOL1 ATOM 1063 CD1 LEU 112 14.216 50.684 55.136 1.00 7.69 MOL1 ATOM 1064 CD2 LEU 112 12.368 51.618 53.735 1.00 8.86 MOL1 ATOM 1065 C LEU 112 12.460 55.217 56.248 1.00 2.72 MOL1 ATOM 1066 O LEU 112 11.273 55.276 56.551 1.00 6.18 MOL1 ATOM 1067 N ARG 113 13.394 55.934 56.881 1.00 4.92 MOL1 ATOM 1068 CA ARG 113 13.007 56.797 57.998 1.00 4.60 MOL1 ATOM 1069 CB ARG 113 14.241 57.269 58.749 1.00 4.08 MOL1 ATOM 1070 CG ARG 113 13.904 58.207 59.826 1.00 5.67 MOL1 ATOM 1071 CD ARG 113 15.092 58.521 60.698 1.00 11.26 MOL1 ATOM 1072 NE ARG 113 14.546 59.197 61.858 1.00 18.43 MOL1 ATOM 1073 CZ ARG 113 15.015 60.314 62.409 1.00 25.83 MOL1 ATOM 1074 NH1 ARG 113 16.082 60.896 61.899 1.00 18.87 MOL1 ATOM 1075 NH2 ARG 113 14.396 60.810 63.491 1.00 13.06 MOL1 ATOM 1076 C ARG 113 12.196 57.979 57.474 1.00 4.15 MOL1 ATOM 1077 O ARG 113 11.249 58.432 58.136 1.00 5.21 MOL1 ATOM 1078 N GLU 114 12.576 58.489 56.313 1.00 4.17 MOL1 ATOM 1079 CA GLU 114 11.845 59.598 55.701 1.00 6.88 MOL1 ATOM 1080 CB GLU 114 12.541 60.059 54.422 1.00 6.52 MOL1 ATOM 1081 CG GLU 114 11.788 61.145 53.660 1.00 5.92 MOL1 ATOM 1082 CD GLU 114 11.710 62.480 54.363 1.00 9.15 MOL1 ATOM 1083 OE1 GLU 114 12.274 62.692 55.454 1.00 6.07 MOL1 ATOM 1084 OE2 GLU 114 11.031 63.343 53.810 1.00 7.63 MOL1 ATOM 1085 C GLU 114 10.371 59.194 55.424 1.00 3.42 MOL1 ATOM 1086 O GLU 114 9.433 59.982 55.643 1.00 4.10 MOL1 ATOM 1087 N GLU 115 10.168 57.954 54.965 1.00 3.33 MOL1 ATOM 1088 CA GLU 115 8.825 57.461 54.731 1.00 3.06 MOL1 ATOM 1089 CB GLU 115 8.853 56.058 54.144 1.00 5.20 MOL1 ATOM 1090 CG GLU 115 9.341 55.991 52.700 1.00 6.54 MOL1 ATOM 1091 CD GLU 115 9.428 54.557 52.174 1.00 7.90 MOL1 ATOM 1092 OE1 GLU 115 9.154 53.604 52.923 1.00 6.38 MOL1 ATOM 1093 OE2 GLU 115 9.723 54.396 50.982 1.00 8.53 MOL1 ATOM 1094 C GLU 115 8.058 57.412 56.061 1.00 4.44 MOL1 ATOM 1095 O GLU 115 6.880 57.763 56.092 1.00 5.02 MOL1 ATOM 1096 N ARG 116 8.712 56.954 57.139 1.00 5.34 MOL1 ATOM 1097 CA ARG 116 8.046 56.916 58.462 1.00 5.16 MOL1 ATOM 1098 CB ARG 116 8.973 56.320 59.548 1.00 4.64 MOL1 ATOM 1099 CG ARG 116 9.336 54.863 59.305 1.00 8.36 MOL1 ATOM 1100 CD ARG 116 9.961 54.148 60.495 1.00 6.11 MOL1 ATOM 1101 NE ARG 116 11.219 54.702 60.968 1.00 9.22 MOL1 ATOM 1102 CZ ARG 116 12.422 54.384 60.472 1.00 13.03 MOL1 ATOM 1103 NH1 ARG 116 12.535 53.518 59.476 1.00 10.33 MOL1 ATOM 1104 NH2 ARG 116 13.530 54.918 60.971 1.00 11.53 MOL1 ATOM 1105 C ARG 116 7.602 58.341 58.857 1.00 5.23 MOL1 ATOM 1106 O ARG 116 6.496 58.534 59.370 1.00 5.29 MOL1 ATOM 1107 N ARG 117 8.462 59.316 58.621 1.00 4.25 MOL1 ATOM 1108 CA ARG 117 8.136 60.714 58.936 1.00 3.73 MOL1 ATOM 1109 CB ARG 117 9.307 61.659 58.623 1.00 3.54 MOL1 ATOM 1110 CG ARG 117 8.996 63.119 59.048 1.00 3.57 MOL1 ATOM 1111 CD ARG 117 10.038 64.105 58.555 1.00 4.17 MOL1 ATOM 1112 NE ARG 117 10.047 64.268 57.093 1.00 5.85 MOL1 ATOM 1113 CZ ARG 117 9.148 64.960 56.389 1.00 5.79 MOL1 ATOM 1114 NH1 ARG 117 8.118 65.577 56.985 1.00 5.79 MOL1 ATOM 1115 NH2 ARG 117 9.262 65.044 55.067 1.00 6.67 MOL1 ATOM 1116 C ARG 117 6.897 61.163 58.130 1.00 5.12 MOL1 ATOM 1117 O ARG 117 5.934 61.705 58.665 1.00 4.21 MOL1 ATOM 1118 N ILE 118 6.945 60.902 56.822 1.00 4.28 MOL1 ATOM 1119 CA ILE 118 5.862 61.280 55.935 1.00 4.42 MOL1 ATOM 1120 CB ILE 118 6.292 61.081 54.456 1.00 4.63 MOL1 ATOM 1121 CG2 ILE 118 5.072 61.227 53.522 1.00 6.66 MOL1 ATOM 1122 CG1 ILE 118 7.403 62.087 54.070 1.00 5.76 MOL1 ATOM 1123 CD1 ILE 118 7.986 61.871 52.656 1.00 8.11 MOL1 ATOM 1124 C ILE 118 4.544 60.565 56.278 1.00 2.94 MOL1 ATOM 1125 O ILE 118 3.465 61.165 56.266 1.00 5.08 MOL1 ATOM 1126 N LEU 119 4.635 59.280 56.600 1.00 3.72 MOL1 ATOM 1127 CA LEU 119 3.426 58.538 56.957 1.00 3.53 MOL1 ATOM 1128 CB LEU 119 3.770 57.058 57.158 1.00 6.58 MOL1 ATOM 1129 CG LEU 119 4.095 56.279 55.873 1.00 5.97 MOL1 ATOM 1130 CD1 LEU 119 4.678 54.932 56.209 1.00 8.40 MOL1 ATOM 1131 CD2 LEU 119 2.788 56.117 55.055 1.00 7.72 MOL1 ATOM 1132 C LEU 119 2.754 59.116 58.219 1.00 6.66 MOL1 ATOM 1133 O LEU 119 1.547 59.209 58.305 1.00 7.29 MOL1 ATOM 1134 N ALA 120 3.579 59.516 59.182 1.00 7.06 MOL1 ATOM 1135 CA ALA 120 3.102 60.069 60.451 1.00 5.46 MOL1 ATOM 1136 CB ALA 120 4.228 60.146 61.449 1.00 4.43 MOL1 ATOM 1137 C ALA 120 2.516 61.450 60.223 1.00 6.31 MOL1 ATOM 1138 O ALA 120 1.522 61.801 60.860 1.00 9.69 MOL1 ATOM 1139 N ALA 121 3.075 62.188 59.276 1.00 4.80 MOL1 ATOM 1140 CA ALA 121 2.620 63.539 58.990 1.00 5.19 MOL1 ATOM 1141 CB ALA 121 3.717 64.305 58.279 1.00 6.37 MOL1 ATOM 1142 C ALA 121 1.358 63.612 58.165 1.00 8.88 MOL1 ATOM 1143 O ALA 121 0.638 64.591 58.204 1.00 7.75 MOL1 ATOM 1144 N ALA 122 1.133 62.584 57.350 1.00 10.32 MOL1 ATOM 1145 CA ALA 122 -0.014 62.524 56.455 1.00 12.88 MOL1 ATOM 1146 CB ALA 122 -0.034 61.139 55.763 1.00 11.03 MOL1 ATOM 1147 C ALA 122 -1.339 62.760 57.176 1.00 9.33 MOL1 ATOM 1148 O ALA 122 -1.609 62.148 58.212 1.00 9.32 MOL1 ATOM 1149 N ASN 123 -2.168 63.630 56.629 1.00 10.29 MOL1 ATOM 1150 CA ASN 123 -3.474 63.851 57.219 1.00 11.46 MOL1 ATOM 1151 CB ASN 123 -4.094 65.159 56.745 1.00 9.47 MOL1 ATOM 1152 CG ASN 123 -3.622 66.340 57.559 1.00 16.31 MOL1 ATOM 1153 OD1 ASN 123 -3.637 66.316 58.778 1.00 12.14 MOL1 ATOM 1154 ND2 ASN 123 -3.286 67.413 56.910 1.00 22.15 MOL1 ATOM 1155 C ASN 123 -4.391 62.673 56.937 1.00 16.48 MOL1 ATOM 1156 O ASN 123 -4.538 62.239 55.792 1.00 17.45 MOL1 ATOM 1157 N MET 124 -5.003 62.140 58.001 1.00 13.81 MOL1 ATOM 1158 CA MET 124 -5.925 60.995 57.923 1.00 18.62 MOL1 ATOM 1159 CB MET 124 -5.186 59.668 58.233 1.00 28.01 MOL1 ATOM 1160 CG MET 124 -3.942 59.391 57.331 1.00 29.19 MOL1 ATOM 1161 SD MET 124 -3.007 57.855 57.790 1.00 38.88 MOL1 ATOM 1162 CE MET 124 -3.880 56.608 56.809 1.00 40.96 MOL1 ATOM 1163 C MET 124 -7.098 61.231 58.909 1.00 12.58 MOL1 ATOM 1164 O MET 124 -6.903 61.609 60.049 1.00 14.91 MOL1 ATOM 1165 N PRO 125 -8.332 61.031 58.456 1.00 9.92 MOL1 ATOM 1166 CD PRO 125 -8.786 60.589 57.129 1.00 10.34 MOL1 ATOM 1167 CA PRO 125 -9.464 61.250 59.358 1.00 8.79 MOL1 ATOM 1168 CB PRO 125 -10.638 61.288 58.392 1.00 9.25 MOL1 ATOM 1169 CG PRO 125 -10.251 60.304 57.351 1.00 12.70 MOL1 ATOM 1170 C PRO 125 -9.632 60.122 60.371 1.00 9.73 MOL1 ATOM 1171 O PRO 125 -9.377 58.945 60.056 1.00 9.35 MOL1 ATOM 1172 N ILE 126 -10.030 60.480 61.587 1.00 7.64 MOL1 ATOM 1173 CA ILE 126 -10.277 59.487 62.627 1.00 8.57 MOL1 ATOM 1174 CB ILE 126 -10.199 60.089 64.050 1.00 10.04 MOL1 ATOM 1175 CG2 ILE 126 -10.369 58.983 65.085 1.00 12.21 MOL1 ATOM 1176 CG1 ILE 126 -8.864 60.809 64.260 1.00 17.92 MOL1 ATOM 1177 CD1 ILE 126 -7.646 59.931 64.079 1.00 15.28 MOL1 ATOM 1178 C ILE 126 -11.687 58.973 62.427 1.00 12.91 MOL1 ATOM 1179 O ILE 126 -11.863 57.846 62.041 1.00 37.89 MOL1 ATOM 1180 OH2 TIP3 5006 13.527 37.839 44.966 1.00 8.65 WAT2 ATOM 1181 OH2 TIP3 5012 12.580 30.313 40.019 1.00 10.00 WAT2 ATOM 1182 OH2 TIP3 5014 -1.698 24.214 47.677 1.00 5.45 WAT2 ATOM 1183 OH2 TIP3 5023 17.390 33.171 49.949 1.00 13.43 WAT2 ATOM 1184 OH2 TIP3 5031 1.395 27.622 69.954 1.00 5.61 WAT2 ATOM 1185 OH2 TIP3 5033 10.680 23.528 46.628 1.00 7.28 WAT2 ATOM 1186 OH2 TIP3 5041 8.676 38.641 50.276 1.00 6.11 WAT2 ATOM 1187 OH2 TIP3 5057 19.286 30.566 57.103 1.00 27.53 WAT2 ATOM 1188 OH2 TIP3 5064 -17.574 38.099 53.012 1.00 21.27 WAT2 ATOM 1189 OH2 TIP3 5072 -9.606 39.068 51.751 1.00 13.50 WAT2 ATOM 1190 OH2 TIP3 5075 1.173 28.731 40.129 1.00 13.31 WAT2 ATOM 1191 OH2 TIP3 5078 18.442 40.435 57.534 1.00 10.02 WAT2 ATOM 1192 OH2 TIP3 5080 0.773 28.644 67.434 1.00 6.08 WAT2 ATOM 1193 OH2 TIP3 5090 -6.497 36.107 38.039 1.00 8.08 WAT2 ATOM 1194 OH2 TIP3 5107 16.649 39.751 59.529 1.00 12.23 WAT2 ATOM 1195 OH2 TIP3 5110 10.680 17.609 66.606 1.00 56.98 WAT2 ATOM 1196 OH2 TIP3 5114 0.554 24.974 70.243 1.00 6.75 WAT2 ATOM 1197 OH2 TIP3 5116 -15.027 41.332 53.703 1.00 15.54 WAT2 ATOM 1198 OH2 TIP3 5120 7.181 17.540 50.782 1.00 16.27 WAT2 ATOM 1199 OH2 TIP3 5133 -0.345 24.434 39.246 1.00 33.04 WAT2 ATOM 1200 OH2 TIP3 5134 -14.487 40.136 46.684 1.00 22.83 WAT2 ATOM 1201 OH2 TIP3 5145 17.090 17.821 38.718 1.00 23.66 WAT2 ATOM 1202 OH2 TIP3 5148 -12.092 31.780 37.898 1.00 5.96 WAT2 ATOM 1203 OH2 TIP3 5152 -17.190 40.916 34.651 1.00 8.76 WAT2 ATOM 1204 OH2 TIP3 5155 10.568 29.550 70.172 1.00 10.37 WAT2 ATOM 1205 OH2 TIP3 5157 18.843 33.240 44.229 1.00 12.16 WAT2 ATOM 1206 OH2 TIP3 5158 -4.344 31.755 49.319 1.00 7.49 WAT2 ATOM 1207 OH2 TIP3 5164 16.476 34.314 47.589 1.00 10.63 WAT2 ATOM 1208 OH2 TIP3 5166 -2.277 21.472 47.070 1.00 18.58 WAT2 ATOM 1209 OH2 TIP3 5167 18.053 27.723 57.886 1.00 9.72 WAT2 ATOM 1210 OH2 TIP3 5170 -16.430 38.097 34.817 1.00 14.55 WAT2 ATOM 1211 OH2 TIP3 5176 4.471 24.491 62.409 1.00 14.25 WAT2 ATOM 1212 OH2 TIP3 5179 7.717 21.920 67.015 1.00 14.84 WAT2 ATOM 1213 OH2 TIP3 5185 -8.586 42.195 44.329 1.00 20.69 WAT2 ATOM 1214 OH2 TIP3 5186 7.655 47.630 57.155 1.00 17.16 WAT2 ATOM 1215 OH2 TIP3 5188 5.625 42.792 64.406 1.00 20.47 WAT2 ATOM 1216 OH2 TIP3 5194 12.162 16.350 45.361 1.00 26.59 WAT2 ATOM 1217 OH2 TIP3 5195 8.564 17.837 57.986 1.00 12.32 WAT2 ATOM 1218 OH2 TIP3 5208 19.026 34.118 56.281 1.00 11.29 WAT2 ATOM 1219 OH2 TIP3 5212 15.278 31.284 44.768 1.00 7.46 WAT2 ATOM 1220 OH2 TIP3 5214 7.603 22.027 64.205 1.00 10.69 WAT2 ATOM 1221 OH2 TIP3 5215 6.627 41.543 60.560 1.00 20.82 WAT2 ATOM 1222 OH2 TIP3 5231 1.648 38.843 67.560 1.00 13.71 WAT2 ATOM 1223 OH2 TIP3 5234 13.255 18.921 61.402 1.00 20.05 WAT2 ATOM 1224 OH2 TIP3 5235 13.390 26.302 64.920 1.00 36.48 WAT2 ATOM 1225 OH2 TIP3 5249 7.378 40.739 55.486 1.00 18.14 WAT2 ATOM 1226 OH2 TIP3 5253 1.184 28.077 62.614 1.00 14.67 WAT2 ATOM 1227 OH2 TIP3 5255 -22.957 51.868 37.647 1.00 20.52 WAT2 ATOM 1228 OH2 TIP3 5257 -14.565 41.595 56.643 1.00 12.43 WAT2 ATOM 1229 OH2 TIP3 5269 4.861 40.073 43.967 1.00 9.86 WAT2 ATOM 1230 OH2 TIP3 5273 9.421 23.296 68.528 1.00 13.23 WAT2 ATOM 1231 OH2 TIP3 5291 12.590 31.612 70.460 1.00 14.61 WAT2 ATOM 1232 OH2 TIP3 5313 -12.039 25.121 51.470 1.00 19.72 WAT2 ATOM 1233 OH2 TIP3 5314 11.559 39.968 53.338 1.00 28.95 WAT2 ATOM 1234 OH2 TIP3 5332 6.684 42.350 72.793 1.00 18.96 WAT2 ATOM 1235 OH2 TIP3 5335 19.365 30.254 63.772 1.00 19.75 WAT2 ATOM 1236 OH2 TIP3 5336 15.074 28.534 69.721 1.00 32.65 WAT2 ATOM 1237 OH2 TIP3 5353 -10.272 25.794 59.459 1.00 10.46 WAT2 ATOM 1238 OH2 TIP3 5355 9.768 45.873 75.130 1.00 21.86 WAT2 ATOM 1239 OH2 TIP3 5374 8.608 27.978 68.597 1.00 4.80 WAT2 ATOM 1240 OH2 TIP3 5376 -12.422 39.494 39.135 1.00 19.10 WAT2 ATOM 1241 OH2 TIP3 5378 8.855 15.606 52.537 1.00 41.89 WAT2 ATOM 1242 OH2 TIP3 5408 15.392 28.748 58.185 1.00 8.33 WAT2 ATOM 1243 OH2 TIP3 5414 5.601 43.246 67.575 1.00 26.92 WAT2 ATOM 1244 OH2 TIP3 5447 27.443 23.172 49.247 1.00 50.98 WAT2 ATOM 1245 OH2 TIP3 5465 -22.759 50.394 35.388 1.00 24.69 WAT2 ATOM 1246 OH2 TIP3 5467 11.449 49.028 57.447 1.00 30.45 WAT2 ATOM 1247 OH2 TIP3 5487 -17.367 44.992 44.856 1.00 31.85 WAT2 ATOM 1248 OH2 TIP3 5488 -4.191 40.113 56.183 1.00 8.62 WAT2 ATOM 1249 OH2 TIP3 5491 -4.425 45.401 45.433 1.00 50.24 WAT2 ATOM 1250 OH2 TIP3 5492 -22.775 42.108 44.784 1.00 54.98 WAT2 ATOM 1251 OH2 TIP3 5503 -2.461 37.970 57.019 1.00 7.96 WAT2 ATOM 1252 OH2 TIP3 5514 -3.048 23.539 39.481 1.00 14.27 WAT2 ATOM 1253 OH2 TIP3 5517 17.320 39.582 65.589 1.00 27.95 WAT2 ATOM 1254 OH2 TIP3 5520 3.791 15.665 44.550 1.00 23.33 WAT2 ATOM 1255 OH2 TIP3 5527 -12.583 25.712 54.670 1.00 24.44 WAT2 ATOM 1256 OH2 TIP3 5535 14.207 15.999 38.391 1.00 40.09 WAT2 ATOM 1257 OH2 TIP3 5544 12.595 14.070 56.222 1.00 27.10 WAT2 ATOM 1258 OH2 TIP3 5548 -1.329 39.629 63.009 1.00 20.18 WAT2 ATOM 1259 OH2 TIP3 5561 24.079 31.249 60.906 1.00 42.26 WAT2 ATOM 1260 OH2 TIP3 5564 22.261 34.374 42.286 1.00 17.28 WAT2 ATOM 1261 OH2 TIP3 5575 10.656 21.471 35.132 1.00 21.66 WAT2 ATOM 1262 OH2 TIP3 5582 -4.862 29.229 47.590 1.00 17.71 WAT2 ATOM 1263 OH2 TIP3 5597 5.493 32.253 41.619 1.00 21.20 WAT2 ATOM 1264 OH2 TIP3 5598 16.428 34.047 64.964 1.00 45.20 WAT2 ATOM 1265 OH2 TIP3 5609 18.299 33.951 40.303 1.00 21.86 WAT2 ATOM 1266 OH2 TIP3 5628 20.214 27.737 48.170 1.00 17.26 WAT2 ATOM 1267 OH2 TIP3 5629 0.382 33.372 40.714 1.00 28.38 WAT2 ATOM 1268 OH2 TIP3 5640 4.763 45.956 49.028 1.00 28.08 WAT2 ATOM 1269 OH2 TIP3 5662 8.730 12.439 52.047 1.00 47.75 WAT2 ATOM 1270 OH2 TIP3 5681 4.270 45.236 43.115 1.00 52.50 WAT2 ATOM 1271 OH2 TIP3 5721 -20.866 42.345 31.505 1.00 6.73 WAT2 ATOM 1272 OH2 TIP3 5735 14.513 44.788 60.882 1.00 32.53 WAT2 ATOM 1273 OH2 TIP3 5737 1.051 24.059 59.119 1.00 18.56 WAT2 ATOM 1274 OH2 TIP3 5740 -3.741 26.948 63.370 1.00 19.99 WAT2 ATOM 1275 OH2 TIP3 5742 12.837 21.631 34.082 1.00 49.35 WAT2 ATOM 1276 OH2 TIP3 5764 -5.449 20.636 45.362 1.00 37.93 WAT2 ATOM 1277 OH2 TIP3 5769 16.836 42.367 61.889 1.00 39.92 WAT2 ATOM 1278 OH2 TIP3 5781 -13.810 34.657 44.041 1.00 24.77 WAT2 ATOM 1279 OH2 TIP3 5784 7.368 21.606 71.530 1.00 39.16 WAT2 ATOM 1280 OH2 TIP3 5787 -4.780 19.771 52.800 1.00 25.73 WAT2 ATOM 1281 OH2 TIP3 5789 12.689 25.642 68.221 1.00 34.85 WAT2 ATOM 1282 OH2 TIP3 5800 5.721 28.145 34.726 1.00 47.68 WAT2 ATOM 1283 OH2 TIP3 5816 5.088 36.371 37.326 1.00 32.50 WAT2 ATOM 1284 OH2 TIP3 5821 3.449 22.431 66.156 1.00 34.92 WAT2 ATOM 1285 OH2 TIP3 5829 -13.982 41.349 44.617 1.00 51.95 WAT2 ATOM 1286 OH2 TIP3 5840 14.439 44.554 70.111 1.00 40.52 WAT2 ATOM 1287 OH2 TIP3 5842 -17.431 37.511 44.523 1.00 30.20 WAT2 ATOM 1288 OH2 TIP3 5844 -13.922 25.371 49.341 1.00 11.21 WAT2 ATOM 1289 OH2 TIP3 5858 8.309 29.604 72.042 1.00 8.24 WAT2 ATOM 1290 OH2 TIP3 5865 -5.613 24.336 69.331 1.00 11.41 WAT2 ATOM 1291 OH2 TIP3 5874 -5.426 25.829 30.950 1.00 43.17 WAT2 ATOM 1292 OH2 TIP3 5901 12.956 38.388 49.435 1.00 15.61 WAT2 ATOM 1293 OH2 TIP3 5910 0.279 26.296 60.744 1.00 22.91 WAT2 ATOM 1294 OH2 TIP3 5921 3.750 23.816 59.723 1.00 17.17 WAT2 ATOM 1295 OH2 TIP3 5924 4.834 21.474 72.137 1.00 22.93 WAT2 ATOM 1296 OH2 TIP3 5933 -3.934 42.155 58.093 1.00 24.31 WAT2 ATOM 1297 OH2 TIP3 5937 17.645 24.546 70.548 1.00 26.37 WAT2 ATOM 1298 OH2 TIP3 5942 -4.732 22.277 63.161 1.00 18.09 WAT2 ATOM 1299 OH2 TIP3 5947 -2.170 24.964 60.861 1.00 25.11 WAT2 ATOM 1300 OH2 TIP3 5956 16.929 31.580 64.841 1.00 27.75 WAT2 ATOM 1301 OH2 TIP3 5958 -10.738 34.092 33.757 1.00 19.53 WAT2 ATOM 1302 OH2 TIP3 5960 -17.769 40.726 38.544 1.00 24.16 WAT2 ATOM 1303 OH2 TIP3 5970 -22.938 37.465 43.182 1.00 29.76 WAT2 ATOM 1304 OH2 TIP3 5974 21.432 35.097 51.783 1.00 30.29 WAT2 ATOM 1305 OH2 TIP3 5984 5.226 43.042 54.673 1.00 21.87 WAT2 ATOM 1306 OH2 TIP3 5987 0.034 18.638 56.639 1.00 29.24 WAT2 ATOM 1307 OH2 TIP3 5993 -25.378 50.676 39.367 1.00 25.69 WAT2 ATOM 1308 OH2 TIP3 6001 -14.105 43.738 52.205 1.00 25.43 WAT2 ATOM 1309 OH2 TIP3 6007 -7.372 41.671 41.612 1.00 30.98 WAT2 ATOM 1310 OH2 TIP3 6016 -17.824 36.470 39.061 1.00 30.44 WAT2 ATOM 1311 OH2 TIP3 6017 -2.556 21.375 37.930 1.00 30.15 WAT2 ATOM 1312 OH2 TIP3 6020 2.833 21.737 39.840 1.00 32.90 WAT2 ATOM 1313 OH2 TIP3 6024 2.375 40.743 53.151 1.00 30.22 WAT2 ATOM 1314 OH2 TIP3 6039 3.014 16.266 52.542 1.00 31.84 WAT2 ATOM 1315 OH2 TIP3 6056 0.309 17.884 50.460 1.00 23.79 WAT2 ATOM 1316 OH2 TIP3 6062 -13.069 48.947 35.600 1.00 30.45 WAT2 ATOM 1317 OH2 TIP3 6094 -20.985 32.418 48.042 1.00 29.21 WAT2 ATOM 1318 OH2 TIP3 6095 -2.608 29.101 35.611 1.00 29.48 WAT2 ATOM 1319 OH2 TIP3 6099 8.101 19.275 63.671 1.00 29.96 WAT2 ATOM 1320 OH2 TIP3 6109 26.501 27.886 47.659 1.00 29.56 WAT2 ATOM 1321 OH2 TIP3 6111 1.028 38.817 60.973 1.00 28.91 WAT2 ATOM 1322 OH2 TIP3 6115 6.006 16.614 41.034 1.00 31.16 WAT2 ATOM 1323 OH2 TIP3 6122 4.991 46.282 57.488 1.00 36.73 WAT2 ATOM 1324 OH2 TIP3 6139 13.588 16.833 59.912 1.00 26.97 WAT2 ATOM 1325 OH2 TIP3 6145 -21.555 44.189 45.847 1.00 28.66 WAT2 ATOM 1326 OH2 TIP3 6147 10.561 20.209 73.499 1.00 33.41 WAT2 ATOM 1327 OH2 TIP3 6154 -1.679 41.694 59.216 1.00 32.28 WAT2 ATOM 1328 OH2 TIP3 6156 19.903 42.109 61.424 1.00 32.59 WAT2 ATOM 1329 OH2 TIP3 6163 10.047 22.610 72.864 1.00 35.65 WAT2 ATOM 1330 OH2 TIP3 6169 6.385 51.444 58.942 1.00 30.75 WAT2 ATOM 1331 OH2 TIP3 6175 3.872 40.224 38.301 1.00 25.68 WAT2 ATOM 1332 OH2 TIP3 6183 -25.147 53.973 37.556 1.00 34.94 WAT2 ATOM 1333 OH2 TIP3 6192 6.148 15.903 43.596 1.00 28.53 WAT2 ATOM 1334 OH2 TIP3 6203 1.537 42.124 58.338 1.00 36.81 WAT2 ATOM 1335 OH2 TIP3 6211 11.160 39.520 50.921 1.00 25.52 WAT2 ATOM 1336 OH2 TIP3 6231 -18.109 33.469 47.348 1.00 35.67 WAT2 ATOM 1337 OH2 TIP3 6237 7.732 40.732 58.167 1.00 30.61 WAT2 ATOM 1338 OH2 TIP3 6257 3.812 17.481 39.604 1.00 33.96 WAT2 ATOM 1339 OH2 TIP3 6271 3.855 36.442 40.129 1.00 31.57 WAT2 ATOM 1340 OH2 TIP3 6273 -15.275 25.986 53.019 1.00 31.36 WAT2 ATOM 1341 N GLY 5003 0.544 49.259 42.993 1.00 52.71 MOL2 ATOM 1342 CA GLY 5003 1.680 48.386 42.742 1.00 46.25 MOL2 ATOM 1343 C GLY 5003 1.789 47.356 43.826 1.00 38.23 MOL2 ATOM 1344 O GLY 5003 2.678 47.379 44.645 1.00 54.50 MOL2 ATOM 1345 N GLY 5004 0.766 46.484 43.882 1.00 49.09 MOL2 ATOM 1346 CA GLY 5004 0.694 45.413 44.845 1.00 39.52 MOL2 ATOM 1347 C GLY 5004 0.871 44.012 44.298 1.00 30.85 MOL2 ATOM 1348 O GLY 5004 0.691 43.737 43.136 1.00 24.76 MOL2 ATOM 1349 N SER 5005 1.166 43.105 45.212 1.00 21.21 MOL2 ATOM 1350 CA SER 5005 1.376 41.696 44.927 1.00 13.64 MOL2 ATOM 1351 CB SER 5005 2.067 41.062 46.138 1.00 10.44 MOL2 ATOM 1352 OG SER 5005 1.274 41.342 47.269 1.00 14.95 MOL2 ATOM 1353 C SER 5005 0.062 40.974 44.739 1.00 6.49 MOL2 ATOM 1354 O SER 5005 -1.005 41.530 44.976 1.00 8.19 MOL2 ATOM 1355 N GLN 5006 0.134 39.730 44.325 1.00 6.56 MOL2 ATOM 1356 CA GLN 5006 -1.064 38.927 44.204 1.00 5.65 MOL2 ATOM 1357 CB GLN 5006 -0.711 37.554 43.668 1.00 7.85 MOL2 ATOM 1358 CG GLN 5006 -1.895 36.652 43.456 1.00 7.35 MOL2 ATOM 1359 CD GLN 5006 -1.529 35.458 42.626 1.00 9.53 MOL2 ATOM 1360 OE1 GLN 5006 -1.565 34.336 43.101 1.00 9.30 MOL2 ATOM 1361 NE2 GLN 5006 -1.212 35.707 41.385 1.00 10.02 MOL2 ATOM 1362 C GLN 5006 -1.673 38.804 45.620 1.00 6.32 MOL2 ATOM 1363 O GLN 5006 -2.894 38.850 45.778 1.00 7.04 MOL2 ATOM 1364 N TRP 5007 -0.843 38.687 46.634 1.00 5.90 MOL2 ATOM 1365 CA TRP 5007 -1.331 38.583 48.017 1.00 5.47 MOL2 ATOM 1366 CB TRP 5007 -0.187 38.379 49.003 1.00 5.98 MOL2 ATOM 1367 CG TRP 5007 -0.670 38.075 50.432 1.00 7.38 MOL2 ATOM 1368 CD2 TRP 5007 -1.514 36.988 50.844 1.00 8.42 MOL2 ATOM 1369 CE2 TRP 5007 -1.640 37.065 52.241 1.00 6.51 MOL2 ATOM 1370 CE3 TRP 5007 -2.153 35.937 50.161 1.00 6.14 MOL2 ATOM 1371 CD1 TRP 5007 -0.353 38.766 51.576 1.00 8.76 MOL2 ATOM 1372 NE1 TRP 5007 -0.928 38.161 52.643 1.00 6.14 MOL2 ATOM 1373 CZ2 TRP 5007 -2.394 36.125 52.968 1.00 6.91 MOL2 ATOM 1374 CZ3 TRP 5007 -2.909 35.004 50.893 1.00 7.99 MOL2 ATOM 1375 CH2 TRP 5007 -3.013 35.107 52.296 1.00 7.66 MOL2 ATOM 1376 C TRP 5007 -2.116 39.833 48.401 1.00 5.29 MOL2 ATOM 1377 O TRP 5007 -3.184 39.742 49.013 1.00 5.53 MOL2 ATOM 1378 N ASN 5008 -1.590 40.987 48.023 1.00 5.91 MOL2 ATOM 1379 CA ASN 5008 -2.257 42.270 48.306 1.00 6.47 MOL2 ATOM 1380 CB ASN 5008 -1.383 43.415 47.826 1.00 12.35 MOL2 ATOM 1381 CG ASN 5008 -1.934 44.754 48.175 1.00 29.12 MOL2 ATOM 1382 OD1 ASN 5008 -1.833 45.212 49.313 1.00 40.46 MOL2 ATOM 1383 ND2 ASN 5008 -2.508 45.429 47.193 1.00 28.10 MOL2 ATOM 1384 C ASN 5008 -3.629 42.303 47.624 1.00 7.43 MOL2 ATOM 1385 O ASN 5008 -4.598 42.822 48.155 1.00 7.87 MOL2 ATOM 1386 N GLN 5009 -3.694 41.728 46.422 1.00 5.70 MOL2 ATOM 1387 CA GLN 5009 -4.964 41.649 45.717 1.00 8.06 MOL2 ATOM 1388 CB GLN 5009 -4.744 41.204 44.301 1.00 8.48 MOL2 ATOM 1389 CG GLN 5009 -3.979 42.247 43.507 1.00 8.88 MOL2 ATOM 1390 CD GLN 5009 -3.638 41.721 42.132 1.00 32.72 MOL2 ATOM 1391 OE1 GLN 5009 -2.485 41.675 41.751 1.00 40.63 MOL2 ATOM 1392 NE2 GLN 5009 -4.644 41.278 41.398 1.00 21.88 MOL2 ATOM 1393 C GLN 5009 -5.942 40.710 46.437 1.00 7.00 MOL2 ATOM 1394 O GLN 5009 -7.132 40.999 46.502 1.00 7.22 MOL2 ATOM 1395 N VAL 5010 -5.448 39.594 46.945 1.00 5.04 MOL2 ATOM 1396 CA VAL 5010 -6.267 38.650 47.702 1.00 5.19 MOL2 ATOM 1397 CB VAL 5010 -5.425 37.390 48.084 1.00 9.61 MOL2 ATOM 1398 CG1 VAL 5010 -6.153 36.511 49.097 1.00 11.20 MOL2 ATOM 1399 CG2 VAL 5010 -5.069 36.592 46.829 1.00 10.03 MOL2 ATOM 1400 C VAL 5010 -6.818 39.351 48.968 1.00 6.94 MOL2 ATOM 1401 O VAL 5010 -7.945 39.108 49.367 1.00 6.17 MOL2 ATOM 1402 N GLN 5011 -6.008 40.208 49.571 1.00 9.81 MOL2 ATOM 1403 CA GLN 5011 -6.417 40.942 50.776 1.00 8.94 MOL2 ATOM 1404 CB GLN 5011 -5.214 41.667 51.404 1.00 10.54 MOL2 ATOM 1405 CG GLN 5011 -4.246 40.709 52.104 1.00 15.70 MOL2 ATOM 1406 CD GLN 5011 -3.021 41.404 52.695 1.00 27.80 MOL2 ATOM 1407 OE1 GLN 5011 -2.776 41.327 53.891 1.00 22.54 MOL2 ATOM 1408 NE2 GLN 5011 -2.232 42.070 51.853 1.00 20.56 MOL2 ATOM 1409 C GLN 5011 -7.557 41.920 50.542 1.00 12.55 MOL2 ATOM 1410 O GLN 5011 -8.226 42.298 51.501 1.00 14.13 MOL2 ATOM 1411 N GLN 5012 -7.779 42.331 49.304 1.00 8.87 MOL2 ATOM 1412 CA GLN 5012 -8.844 43.272 48.992 1.00 11.31 MOL2 ATOM 1413 CB GLN 5012 -8.474 44.174 47.799 1.00 11.72 MOL2 ATOM 1414 CG GLN 5012 -7.046 44.733 47.839 1.00 14.64 MOL2 ATOM 1415 CD GLN 5012 -6.722 45.525 49.119 1.00 41.19 MOL2 ATOM 1416 OE1 GLN 5012 -7.461 46.447 49.499 1.00 46.68 MOL2 ATOM 1417 NE2 GLN 5012 -5.605 45.185 49.781 1.00 35.47 MOL2 ATOM 1418 C GLN 5012 -10.181 42.575 48.747 1.00 8.37 MOL2 ATOM 1419 O GLN 5012 -11.227 43.231 48.729 1.00 12.13 MOL2 ATOM 1420 N LEU 5013 -10.156 41.244 48.575 1.00 7.75 MOL2 ATOM 1421 CA LEU 5013 -11.384 40.469 48.357 1.00 8.81 MOL2 ATOM 1422 CB LEU 5013 -11.035 39.031 47.966 1.00 9.14 MOL2 ATOM 1423 CG LEU 5013 -10.190 38.927 46.683 1.00 10.88 MOL2 ATOM 1424 CD1 LEU 5013 -9.612 37.548 46.569 1.00 14.39 MOL2 ATOM 1425 CD2 LEU 5013 -11.032 39.287 45.473 1.00 11.04 MOL2 ATOM 1426 C LEU 5013 -12.260 40.396 49.625 1.00 14.81 MOL2 ATOM 1427 O LEU 5013 -11.773 40.615 50.763 1.00 9.27 MOL2 ATOM 1428 N GLU 5014 -13.547 40.127 49.428 1.00 11.11 MOL2 ATOM 1429 CA GLU 5014 -14.415 39.966 50.577 1.00 10.73 MOL2 ATOM 1430 CB GLU 5014 -15.855 39.742 50.158 1.00 18.32 MOL2 ATOM 1431 CG GLU 5014 -16.427 40.981 49.473 1.00 30.99 MOL2 ATOM 1432 CD GLU 5014 -17.933 41.047 49.546 1.00 47.63 MOL2 ATOM 1433 OE1 GLU 5014 -18.590 40.562 48.598 1.00 45.72 MOL2 ATOM 1434 OE2 GLU 5014 -18.463 41.593 50.548 1.00 59.32 MOL2 ATOM 1435 C GLU 5014 -13.857 38.767 51.345 1.00 11.99 MOL2 ATOM 1436 O GLU 5014 -13.422 37.797 50.735 1.00 12.15 MOL2 ATOM 1437 N ILE 5015 -13.866 38.799 52.650 1.00 13.09 MOL2 ATOM 1438 CA ILE 5015 -13.265 37.832 53.568 1.00 10.10 MOL2 ATOM 1439 CB ILE 5015 -13.584 38.242 55.008 1.00 19.93 MOL2 ATOM 1440 CG2 ILE 5015 -14.609 37.323 55.677 1.00 35.84 MOL2 ATOM 1441 CG1 ILE 5015 -12.364 38.234 55.928 1.00 24.60 MOL2 ATOM 1442 CD1 ILE 5015 -11.040 38.215 55.159 1.00 21.12 MOL2 ATOM 1443 C ILE 5015 -13.864 36.464 53.258 1.00 12.37 MOL2 ATOM 1444 O ILE 5015 -13.142 35.431 53.577 1.00 11.88 MOL2 ATOM 1445 N LYS 5016 -15.051 36.277 52.732 1.00 13.34 MOL2 ATOM 1446 CA LYS 5016 -15.625 34.940 52.522 1.00 17.83 MOL2 ATOM 1447 CB LYS 5016 -17.084 35.024 52.031 1.00 17.61 MOL2 ATOM 1448 CG LYS 5016 -17.294 35.633 50.623 1.00 20.66 MOL2 ATOM 1449 CD LYS 5016 -18.779 35.769 50.339 1.00 29.74 MOL2 ATOM 1450 CE LYS 5016 -19.055 36.692 49.168 1.00 36.97 MOL2 ATOM 1451 NZ LYS 5016 -19.484 35.986 47.933 1.00 45.88 MOL2 ATOM 1452 C LYS 5016 -14.823 34.019 51.609 1.00 14.08 MOL2 ATOM 1453 O LYS 5016 -14.942 32.830 51.691 1.00 11.64 MOL2 ATOM 1454 N PHE 5017 -13.922 34.577 50.799 1.00 8.67 MOL2 ATOM 1455 CA PHE 5017 -13.148 33.740 49.888 1.00 8.67 MOL2 ATOM 1456 CB PHE 5017 -12.279 34.587 48.945 1.00 14.14 MOL2 ATOM 1457 CG PHE 5017 -10.949 34.967 49.563 1.00 34.97 MOL2 ATOM 1458 CD1 PHE 5017 -9.802 34.206 49.296 1.00 20.88 MOL2 ATOM 1459 CD2 PHE 5017 -10.871 36.008 50.524 1.00 23.85 MOL2 ATOM 1460 CE1 PHE 5017 -8.598 34.459 49.960 1.00 21.33 MOL2 ATOM 1461 CE2 PHE 5017 -9.670 36.275 51.199 1.00 21.51 MOL2 ATOM 1462 CZ PHE 5017 -8.537 35.500 50.920 1.00 26.30 MOL2 ATOM 1463 C PHE 5017 -12.187 32.884 50.667 1.00 10.73 MOL2 ATOM 1464 O PHE 5017 -11.798 31.808 50.245 1.00 8.54 MOL2 ATOM 1465 N LEU 5018 -11.713 33.442 51.780 1.00 8.42 MOL2 ATOM 1466 CA LEU 5018 -10.710 32.781 52.554 1.00 8.64 MOL2 ATOM 1467 CB LEU 5018 -10.440 33.583 53.833 1.00 15.30 MOL2 ATOM 1468 CG LEU 5018 -9.181 33.229 54.632 1.00 15.40 MOL2 ATOM 1469 CD1 LEU 5018 -7.896 33.520 53.873 1.00 8.58 MOL2 ATOM 1470 CD2 LEU 5018 -9.229 34.025 55.920 1.00 8.87 MOL2 ATOM 1471 C LEU 5018 -11.024 31.327 52.840 1.00 5.29 MOL2 ATOM 1472 O LEU 5018 -10.145 30.480 52.772 1.00 9.93 MOL2 ATOM 1473 N GLU 5019 -12.285 31.016 53.050 1.00 5.85 MOL2 ATOM 1474 CA GLU 5019 -12.647 29.639 53.328 1.00 10.40 MOL2 ATOM 1475 CB GLU 5019 -14.122 29.484 53.719 1.00 19.15 MOL2 ATOM 1476 CG GLU 5019 -15.127 30.104 52.817 1.00 15.29 MOL2 ATOM 1477 CD GLU 5019 -16.521 29.992 53.384 1.00 25.25 MOL2 ATOM 1478 OE1 GLU 5019 -17.347 29.336 52.760 1.00 25.96 MOL2 ATOM 1479 OE2 GLU 5019 -16.802 30.579 54.440 1.00 30.55 MOL2 ATOM 1480 C GLU 5019 -12.266 28.659 52.219 1.00 16.21 MOL2 ATOM 1481 O GLU 5019 -11.878 27.535 52.520 1.00 13.10 MOL2 ATOM 1482 N GLN 5020 -12.223 29.128 50.992 1.00 6.83 MOL2 ATOM 1483 CA GLN 5020 -11.882 28.290 49.838 1.00 7.77 MOL2 ATOM 1484 CB GLN 5020 -12.319 28.988 48.539 1.00 7.28 MOL2 ATOM 1485 CG GLN 5020 -13.826 29.221 48.479 1.00 8.10 MOL2 ATOM 1486 CD GLN 5020 -14.289 29.837 47.163 1.00 8.79 MOL2 ATOM 1487 OE1 GLN 5020 -13.718 29.583 46.133 1.00 8.92 MOL2 ATOM 1488 NE2 GLN 5020 -15.243 30.701 47.244 1.00 7.89 MOL2 ATOM 1489 C GLN 5020 -10.420 27.875 49.736 1.00 6.47 MOL2 ATOM 1490 O GLN 5020 -10.107 26.920 49.071 1.00 6.03 MOL2 ATOM 1491 N VAL 5021 -9.524 28.650 50.310 1.00 8.08 MOL2 ATOM 1492 CA VAL 5021 -8.105 28.316 50.235 1.00 4.96 MOL2 ATOM 1493 CB VAL 5021 -7.210 29.577 50.025 1.00 6.31 MOL2 ATOM 1494 CG1 VAL 5021 -7.696 30.386 48.826 1.00 9.41 MOL2 ATOM 1495 CG2 VAL 5021 -7.209 30.467 51.310 1.00 9.54 MOL2 ATOM 1496 C VAL 5021 -7.549 27.475 51.394 1.00 4.92 MOL2 ATOM 1497 O VAL 5021 -6.365 27.093 51.363 1.00 4.77 MOL2 ATOM 1498 N ASP 5022 -8.368 27.186 52.408 1.00 6.18 MOL2 ATOM 1499 CA ASP 5022 -7.850 26.430 53.553 1.00 4.59 MOL2 ATOM 1500 CB ASP 5022 -8.938 26.116 54.581 1.00 4.66 MOL2 ATOM 1501 CG ASP 5022 -8.370 25.370 55.778 1.00 6.88 MOL2 ATOM 1502 OD1 ASP 5022 -7.610 25.986 56.554 1.00 7.30 MOL2 ATOM 1503 OD2 ASP 5022 -8.612 24.175 55.901 1.00 10.24 MOL2 ATOM 1504 C ASP 5022 -7.066 25.153 53.247 1.00 8.43 MOL2 ATOM 1505 O ASP 5022 -5.951 24.947 53.765 1.00 8.16 MOL2 ATOM 1506 N GLN 5023 -7.613 24.315 52.345 1.00 6.01 MOL2 ATOM 1507 CA GLN 5023 -6.974 23.053 52.016 1.00 6.26 MOL2 ATOM 1508 CB GLN 5023 -7.986 22.062 51.392 1.00 7.30 MOL2 ATOM 1509 CG GLN 5023 -8.404 22.346 49.921 1.00 11.12 MOL2 ATOM 1510 CD GLN 5023 -9.660 23.214 49.807 1.00 21.13 MOL2 ATOM 1511 OE1 GLN 5023 -10.475 23.042 48.890 1.00 17.88 MOL2 ATOM 1512 NE2 GLN 5023 -9.818 24.147 50.741 1.00 7.59 MOL2 ATOM 1513 C GLN 5023 -5.707 23.173 51.146 1.00 5.42 MOL2 ATOM 1514 O GLN 5023 -5.066 22.180 50.897 1.00 7.85 MOL2 ATOM 1515 N PHE 5024 -5.392 24.371 50.678 1.00 4.37 MOL2 ATOM 1516 CA PHE 5024 -4.195 24.629 49.887 1.00 4.12 MOL2 ATOM 1517 CB PHE 5024 -4.451 25.769 48.895 1.00 6.06 MOL2 ATOM 1518 CG PHE 5024 -5.385 25.387 47.780 1.00 4.91 MOL2 ATOM 1519 CD1 PHE 5024 -6.769 25.436 47.964 1.00 6.40 MOL2 ATOM 1520 CD2 PHE 5024 -4.888 24.868 46.579 1.00 4.81 MOL2 ATOM 1521 CE1 PHE 5024 -7.648 24.953 46.973 1.00 7.07 MOL2 ATOM 1522 CE2 PHE 5024 -5.762 24.393 45.602 1.00 5.94 MOL2 ATOM 1523 CZ PHE 5024 -7.141 24.438 45.809 1.00 5.00 MOL2 ATOM 1524 C PHE 5024 -2.965 24.915 50.749 1.00 8.81 MOL2 ATOM 1525 O PHE 5024 -1.873 25.130 50.227 1.00 7.35 MOL2 ATOM 1526 N TYR 5025 -3.160 24.958 52.073 1.00 6.14 MOL2 ATOM 1527 CA TYR 5025 -2.076 25.162 53.023 1.00 6.03 MOL2 ATOM 1528 CB TYR 5025 -2.352 26.394 53.923 1.00 6.01 MOL2 ATOM 1529 CG TYR 5025 -2.357 27.703 53.145 1.00 3.85 MOL2 ATOM 1530 CD1 TYR 5025 -3.539 28.216 52.587 1.00 3.81 MOL2 ATOM 1531 CE1 TYR 5025 -3.512 29.382 51.828 1.00 4.27 MOL2 ATOM 1532 CD2 TYR 5025 -1.156 28.415 52.933 1.00 7.05 MOL2 ATOM 1533 CE2 TYR 5025 -1.137 29.586 52.165 1.00 4.71 MOL2 ATOM 1534 CZ TYR 5025 -2.311 30.066 51.644 1.00 5.09 MOL2 ATOM 1535 OH TYR 5025 -2.281 31.260 50.968 1.00 8.28 MOL2 ATOM 1536 C TYR 5025 -1.976 23.946 53.894 1.00 6.13 MOL2 ATOM 1537 O TYR 5025 -2.951 23.500 54.435 1.00 6.40 MOL2 ATOM 1538 N ASP 5026 -0.770 23.405 54.013 1.00 6.80 MOL2 ATOM 1539 CA ASP 5026 -0.541 22.257 54.856 1.00 6.06 MOL2 ATOM 1540 CB ASP 5026 -0.853 20.933 54.145 1.00 7.18 MOL2 ATOM 1541 CG ASP 5026 0.026 20.654 52.930 1.00 11.50 MOL2 ATOM 1542 OD1 ASP 5026 1.138 21.285 52.780 1.00 7.90 MOL2 ATOM 1543 OD2 ASP 5026 -0.350 19.784 52.058 1.00 17.42 MOL2 ATOM 1544 C ASP 5026 0.903 22.377 55.391 1.00 6.17 MOL2 ATOM 1545 O ASP 5026 1.516 23.449 55.345 1.00 6.85 MOL2 ATOM 1546 N ASP 5027 1.464 21.302 55.911 1.00 6.35 MOL2 ATOM 1547 CA ASP 5027 2.829 21.357 56.493 1.00 7.56 MOL2 ATOM 1548 CB ASP 5027 3.244 19.977 57.002 1.00 9.47 MOL2 ATOM 1549 CG ASP 5027 2.623 19.636 58.360 1.00 42.02 MOL2 ATOM 1550 OD1 ASP 5027 2.326 20.578 59.192 1.00 48.78 MOL2 ATOM 1551 OD2 ASP 5027 2.392 18.406 58.672 1.00 46.28 MOL2 ATOM 1552 C ASP 5027 3.846 21.844 55.457 1.00 7.26 MOL2 ATOM 1553 O ASP 5027 4.959 22.292 55.862 1.00 10.00 MOL2 ATOM 1554 N ASN 5028 3.582 21.812 54.177 1.00 6.29 MOL2 ATOM 1555 CA ASN 5028 4.557 21.895 53.094 1.00 6.64 MOL2 ATOM 1556 CB ASN 5028 4.134 21.233 51.795 1.00 5.46 MOL2 ATOM 1557 CG ASN 5028 4.224 19.747 51.868 1.00 9.57 MOL2 ATOM 1558 OD1 ASN 5028 5.327 19.189 51.867 1.00 12.29 MOL2 ATOM 1559 ND2 ASN 5028 3.083 19.072 51.917 1.00 10.33 MOL2 ATOM 1560 C ASN 5028 4.558 23.401 52.860 1.00 3.94 MOL2 ATOM 1561 O ASN 5028 5.539 23.953 52.349 1.00 5.59 MOL2 ATOM 1562 N PHE 5029 3.477 24.066 53.245 1.00 4.25 MOL2 ATOM 1563 CA PHE 5029 3.343 25.486 53.010 1.00 5.46 MOL2 ATOM 1564 CB PHE 5029 2.973 25.702 51.533 1.00 3.82 MOL2 ATOM 1565 CG PHE 5029 3.002 27.153 51.104 1.00 2.42 MOL2 ATOM 1566 CD1 PHE 5029 1.877 27.749 50.509 1.00 6.74 MOL2 ATOM 1567 CD2 PHE 5029 4.143 27.907 51.283 1.00 3.88 MOL2 ATOM 1568 CE1 PHE 5029 1.885 29.066 50.095 1.00 5.65 MOL2 ATOM 1569 CE2 PHE 5029 4.191 29.263 50.875 1.00 6.60 MOL2 ATOM 1570 CZ PHE 5029 3.057 29.861 50.270 1.00 5.19 MOL2 ATOM 1571 C PHE 5029 2.290 26.148 53.892 1.00 5.80 MOL2 ATOM 1572 O PHE 5029 1.108 26.068 53.648 1.00 5.52 MOL2 ATOM 1573 N PRO 5030 2.734 26.850 54.968 1.00 4.30 MOL2 ATOM 1574 CD PRO 5030 4.111 26.849 55.466 1.00 8.45 MOL2 ATOM 1575 CA PRO 5030 1.810 27.541 55.874 1.00 5.92 MOL2 ATOM 1576 CB PRO 5030 2.543 27.441 57.231 1.00 6.25 MOL2 ATOM 1577 CG PRO 5030 3.962 27.647 56.825 1.00 9.66 MOL2 ATOM 1578 C PRO 5030 1.572 29.013 55.463 1.00 4.41 MOL2 ATOM 1579 O PRO 5030 2.433 29.647 54.846 1.00 3.97 MOL2 ATOM 1580 N MET 5031 0.423 29.565 55.842 1.00 3.93 MOL2 ATOM 1581 CA MET 5031 0.073 30.922 55.491 1.00 5.28 MOL2 ATOM 1582 CB MET 5031 -1.379 31.242 55.888 1.00 3.62 MOL2 ATOM 1583 CG MET 5031 -1.924 32.467 55.151 1.00 6.87 MOL2 ATOM 1584 SD MET 5031 -3.674 32.839 55.501 1.00 5.32 MOL2 ATOM 1585 CE MET 5031 -4.461 31.705 54.322 1.00 7.01 MOL2 ATOM 1586 C MET 5031 1.047 31.982 56.025 1.00 3.36 MOL2 ATOM 1587 O MET 5031 1.188 33.054 55.458 1.00 3.30 MOL2 ATOM 1588 N GLU 5032 1.731 31.681 57.132 1.00 3.31 MOL2 ATOM 1589 CA GLU 5032 2.707 32.636 57.677 1.00 4.27 MOL2 ATOM 1590 CB GLU 5032 3.476 32.044 58.871 1.00 5.05 MOL2 ATOM 1591 CG GLU 5032 2.732 32.096 60.198 1.00 4.95 MOL2 ATOM 1592 CD GLU 5032 1.805 30.898 60.407 1.00 9.65 MOL2 ATOM 1593 OE1 GLU 5032 1.301 30.746 61.544 1.00 5.87 MOL2 ATOM 1594 OE2 GLU 5032 1.578 30.125 59.440 1.00 6.46 MOL2 ATOM 1595 C GLU 5032 3.719 32.971 56.604 1.00 5.83 MOL2 ATOM 1596 O GLU 5032 4.131 34.110 56.465 1.00 6.47 MOL2 ATOM 1597 N ILE 5033 4.178 31.931 55.893 1.00 4.57 MOL2 ATOM 1598 CA ILE 5033 5.142 32.107 54.815 1.00 4.21 MOL2 ATOM 1599 CB ILE 5033 5.755 30.733 54.326 1.00 6.83 MOL2 ATOM 1600 CG2 ILE 5033 6.714 30.956 53.142 1.00 4.67 MOL2 ATOM 1601 CG1 ILE 5033 6.482 30.027 55.474 1.00 7.87 MOL2 ATOM 1602 CD1 ILE 5033 7.544 30.841 56.159 1.00 8.57 MOL2 ATOM 1603 C ILE 5033 4.515 32.851 53.634 1.00 3.05 MOL2 ATOM 1604 O ILE 5033 5.110 33.774 53.085 1.00 5.27 MOL2 ATOM 1605 N ARG 5034 3.300 32.467 53.262 1.00 4.36 MOL2 ATOM 1606 CA ARG 5034 2.587 33.126 52.145 1.00 2.00 MOL2 ATOM 1607 CB ARG 5034 1.155 32.585 52.040 1.00 4.49 MOL2 ATOM 1608 CG ARG 5034 0.299 33.288 50.973 1.00 6.13 MOL2 ATOM 1609 CD ARG 5034 0.739 32.856 49.558 1.00 6.35 MOL2 ATOM 1610 NE ARG 5034 0.171 33.680 48.496 1.00 5.10 MOL2 ATOM 1611 CZ ARG 5034 0.760 34.752 47.950 1.00 6.63 MOL2 ATOM 1612 NH1 ARG 5034 1.944 35.162 48.397 1.00 5.07 MOL2 ATOM 1613 NH2 ARG 5034 0.231 35.335 46.892 1.00 4.14 MOL2 ATOM 1614 C ARG 5034 2.494 34.646 52.376 1.00 6.00 MOL2 ATOM 1615 O ARG 5034 2.614 35.462 51.455 1.00 5.47 MOL2 ATOM 1616 N HIS 5035 2.216 35.023 53.617 1.00 2.07 MOL2 ATOM 1617 CA HIS 5035 2.059 36.408 53.974 1.00 3.76 MOL2 ATOM 1618 CB HIS 5035 1.231 36.471 55.267 1.00 7.12 MOL2 ATOM 1619 CG HIS 5035 0.990 37.855 55.758 1.00 11.12 MOL2 ATOM 1620 CD2 HIS 5035 0.126 38.813 55.333 1.00 5.49 MOL2 ATOM 1621 ND1 HIS 5035 1.643 38.380 56.851 1.00 22.77 MOL2 ATOM 1622 CE1 HIS 5035 1.189 39.607 57.086 1.00 14.41 MOL2 ATOM 1623 NE2 HIS 5035 0.264 39.884 56.166 1.00 12.71 MOL2 ATOM 1624 C HIS 5035 3.341 37.202 54.155 1.00 4.18 MOL2 ATOM 1625 O HIS 5035 3.537 38.209 53.513 1.00 6.51 MOL2 ATOM 1626 N LEU 5036 4.222 36.727 55.014 1.00 4.22 MOL2 ATOM 1627 CA LEU 5036 5.462 37.471 55.327 1.00 4.61 MOL2 ATOM 1628 CB LEU 5036 6.166 36.863 56.546 1.00 7.41 MOL2 ATOM 1629 CG LEU 5036 5.402 36.908 57.873 1.00 7.40 MOL2 ATOM 1630 CD1 LEU 5036 6.161 36.035 58.907 1.00 9.11 MOL2 ATOM 1631 CD2 LEU 5036 5.187 38.345 58.359 1.00 6.36 MOL2 ATOM 1632 C LEU 5036 6.424 37.536 54.149 1.00 5.02 MOL2 ATOM 1633 O LEU 5036 7.208 38.472 54.023 1.00 7.66 MOL2 ATOM 1634 N LEU 5037 6.390 36.502 53.328 1.00 4.06 MOL2 ATOM 1635 CA LEU 5037 7.253 36.415 52.156 1.00 4.43 MOL2 ATOM 1636 CB LEU 5037 8.157 35.175 52.291 1.00 4.19 MOL2 ATOM 1637 CG LEU 5037 9.222 35.328 53.389 1.00 5.21 MOL2 ATOM 1638 CD1 LEU 5037 9.856 33.999 53.658 1.00 6.33 MOL2 ATOM 1639 CD2 LEU 5037 10.259 36.377 53.032 1.00 6.98 MOL2 ATOM 1640 C LEU 5037 6.459 36.407 50.845 1.00 3.52 MOL2 ATOM 1641 O LEU 5037 6.861 35.757 49.884 1.00 4.69 MOL2 ATOM 1642 N ALA 5038 5.351 37.128 50.816 1.00 5.68 MOL2 ATOM 1643 CA ALA 5038 4.480 37.168 49.629 1.00 6.16 MOL2 ATOM 1644 CB ALA 5038 3.333 38.171 49.844 1.00 4.65 MOL2 ATOM 1645 C ALA 5038 5.249 37.520 48.350 1.00 4.08 MOL2 ATOM 1646 O ALA 5038 5.144 36.800 47.360 1.00 4.54 MOL2 ATOM 1647 N GLN 5039 6.051 38.586 48.386 1.00 2.53 MOL2 ATOM 1648 CA GLN 5039 6.780 38.993 47.180 1.00 4.36 MOL2 ATOM 1649 CB GLN 5039 7.438 40.350 47.379 1.00 5.79 MOL2 ATOM 1650 CG GLN 5039 6.447 41.526 47.398 1.00 8.36 MOL2 ATOM 1651 CD GLN 5039 7.179 42.846 47.361 1.00 12.02 MOL2 ATOM 1652 OE1 GLN 5039 8.122 43.069 48.112 1.00 6.67 MOL2 ATOM 1653 NE2 GLN 5039 6.785 43.704 46.449 1.00 21.59 MOL2 ATOM 1654 C GLN 5039 7.825 37.954 46.746 1.00 5.40 MOL2 ATOM 1655 O GLN 5039 7.885 37.586 45.572 1.00 4.69 MOL2 ATOM 1656 N TRP 5040 8.508 37.358 47.722 1.00 2.95 MOL2 ATOM 1657 CA TRP 5040 9.516 36.365 47.393 1.00 2.77 MOL2 ATOM 1658 CB TRP 5040 10.342 35.990 48.632 1.00 3.72 MOL2 ATOM 1659 CG TRP 5040 11.444 35.016 48.334 1.00 4.06 MOL2 ATOM 1660 CD2 TRP 5040 11.361 33.590 48.340 1.00 3.97 MOL2 ATOM 1661 CE2 TRP 5040 12.613 33.101 47.885 1.00 2.00 MOL2 ATOM 1662 CE3 TRP 5040 10.390 32.650 48.700 1.00 3.64 MOL2 ATOM 1663 CD1 TRP 5040 12.693 35.331 47.888 1.00 2.74 MOL2 ATOM 1664 NE1 TRP 5040 13.386 34.190 47.620 1.00 3.18 MOL2 ATOM 1665 CZ2 TRP 5040 12.883 31.733 47.717 1.00 4.25 MOL2 ATOM 1666 CZ3 TRP 5040 10.664 31.271 48.535 1.00 3.02 MOL2 ATOM 1667 CH2 TRP 5040 11.908 30.830 48.074 1.00 3.52 MOL2 ATOM 1668 C TRP 5040 8.823 35.133 46.790 1.00 4.92 MOL2 ATOM 1669 O TRP 5040 9.254 34.590 45.768 1.00 4.36 MOL2 ATOM 1670 N ILE 5041 7.762 34.663 47.451 1.00 3.25 MOL2 ATOM 1671 CA ILE 5041 6.985 33.531 46.986 1.00 5.25 MOL2 ATOM 1672 CB ILE 5041 5.766 33.266 47.945 1.00 4.32 MOL2 ATOM 1673 CG2 ILE 5041 4.709 32.340 47.246 1.00 7.63 MOL2 ATOM 1674 CG1 ILE 5041 6.261 32.615 49.258 1.00 4.23 MOL2 ATOM 1675 CD1 ILE 5041 6.835 31.185 49.119 1.00 4.51 MOL2 ATOM 1676 C ILE 5041 6.525 33.763 45.529 1.00 5.03 MOL2 ATOM 1677 O ILE 5041 6.688 32.873 44.685 1.00 6.47 MOL2 ATOM 1678 N GLU 5042 6.029 34.955 45.256 1.00 3.17 MOL2 ATOM 1679 CA GLU 5042 5.527 35.290 43.921 1.00 3.92 MOL2 ATOM 1680 CB GLU 5042 4.635 36.513 44.021 1.00 4.47 MOL2 ATOM 1681 CG GLU 5042 3.368 36.248 44.828 1.00 4.28 MOL2 ATOM 1682 CD GLU 5042 2.617 37.498 45.172 1.00 11.56 MOL2 ATOM 1683 OE1 GLU 5042 2.686 38.476 44.409 1.00 11.69 MOL2 ATOM 1684 OE2 GLU 5042 1.897 37.500 46.183 1.00 6.79 MOL2 ATOM 1685 C GLU 5042 6.612 35.471 42.862 1.00 7.11 MOL2 ATOM 1686 O GLU 5042 6.330 35.581 41.669 1.00 8.81 MOL2 ATOM 1687 N THR 5043 7.845 35.450 43.267 1.00 4.53 MOL2 ATOM 1688 CA THR 5043 8.979 35.633 42.343 1.00 5.48 MOL2 ATOM 1689 CB THR 5043 10.102 36.458 43.042 1.00 5.02 MOL2 ATOM 1690 OG1 THR 5043 9.595 37.755 43.322 1.00 5.37 MOL2 ATOM 1691 CG2 THR 5043 11.361 36.595 42.189 1.00 5.15 MOL2 ATOM 1692 C THR 5043 9.554 34.330 41.767 1.00 8.73 MOL2 ATOM 1693 O THR 5043 10.118 34.316 40.659 1.00 9.27 MOL2 ATOM 1694 N GLN 5044 9.343 33.232 42.475 1.00 4.47 MOL2 ATOM 1695 CA GLN 5044 9.891 31.948 42.057 1.00 5.67 MOL2 ATOM 1696 CB GLN 5044 10.190 31.062 43.274 1.00 6.21 MOL2 ATOM 1697 CG GLN 5044 10.643 31.838 44.508 1.00 4.65 MOL2 ATOM 1698 CD GLN 5044 11.880 32.620 44.296 1.00 5.08 MOL2 ATOM 1699 OE1 GLN 5044 12.802 32.140 43.665 1.00 5.58 MOL2 ATOM 1700 NE2 GLN 5044 11.927 33.853 44.805 1.00 3.77 MOL2 ATOM 1701 C GLN 5044 9.015 31.174 41.075 1.00 8.28 MOL2 ATOM 1702 O GLN 5044 7.791 31.262 41.117 1.00 6.70 MOL2 ATOM 1703 N ASP 5045 9.651 30.357 40.248 1.00 7.73 MOL2 ATOM 1704 CA ASP 5045 8.914 29.562 39.267 1.00 7.83 MOL2 ATOM 1705 CB ASP 5045 9.752 29.422 37.991 1.00 10.34 MOL2 ATOM 1706 CG ASP 5045 8.934 28.921 36.826 1.00 19.70 MOL2 ATOM 1707 OD1 ASP 5045 9.467 28.968 35.695 1.00 25.28 MOL2 ATOM 1708 OD2 ASP 5045 7.791 28.464 37.020 1.00 12.25 MOL2 ATOM 1709 C ASP 5045 8.639 28.184 39.866 1.00 4.58 MOL2 ATOM 1710 O ASP 5045 9.310 27.202 39.568 1.00 5.83 MOL2 ATOM 1711 N TRP 5046 7.643 28.130 40.744 1.00 4.47 MOL2 ATOM 1712 CA TRP 5046 7.290 26.887 41.434 1.00 4.53 MOL2 ATOM 1713 CB TRP 5046 6.228 27.192 42.509 1.00 7.34 MOL2 ATOM 1714 CG TRP 5046 6.741 28.160 43.542 1.00 4.96 MOL2 ATOM 1715 CD2 TRP 5046 7.665 27.868 44.567 1.00 5.87 MOL2 ATOM 1716 CE2 TRP 5046 7.902 29.080 45.280 1.00 3.31 MOL2 ATOM 1717 CE3 TRP 5046 8.353 26.711 44.973 1.00 4.56 MOL2 ATOM 1718 CD1 TRP 5046 6.443 29.468 43.646 1.00 4.90 MOL2 ATOM 1719 NE1 TRP 5046 7.116 30.028 44.686 1.00 4.70 MOL2 ATOM 1720 CZ2 TRP 5046 8.776 29.154 46.362 1.00 5.39 MOL2 ATOM 1721 CZ3 TRP 5046 9.226 26.777 46.048 1.00 5.87 MOL2 ATOM 1722 CH2 TRP 5046 9.448 28.007 46.724 1.00 5.19 MOL2 ATOM 1723 C TRP 5046 6.807 25.790 40.521 1.00 4.37 MOL2 ATOM 1724 O TRP 5046 6.988 24.618 40.752 1.00 6.21 MOL2 ATOM 1725 N GLU 5047 6.135 26.237 39.471 1.00 8.73 MOL2 ATOM 1726 CA GLU 5047 5.551 25.367 38.481 1.00 13.84 MOL2 ATOM 1727 CB GLU 5047 4.718 26.251 37.542 1.00 16.33 MOL2 ATOM 1728 CG GLU 5047 3.786 27.289 38.302 1.00 31.85 MOL2 ATOM 1729 CD GLU 5047 4.528 28.485 38.986 1.00 44.19 MOL2 ATOM 1730 OE1 GLU 5047 5.393 29.101 38.342 1.00 26.91 MOL2 ATOM 1731 OE2 GLU 5047 4.238 28.836 40.161 1.00 33.68 MOL2 ATOM 1732 C GLU 5047 6.653 24.531 37.781 1.00 8.05 MOL2 ATOM 1733 O GLU 5047 6.556 23.318 37.692 1.00 11.14 MOL2 ATOM 1734 N VAL 5048 7.732 25.178 37.354 1.00 11.00 MOL2 ATOM 1735 CA VAL 5048 8.856 24.456 36.762 1.00 13.00 MOL2 ATOM 1736 CB VAL 5048 9.834 25.417 36.015 1.00 14.59 MOL2 ATOM 1737 CG1 VAL 5048 11.024 24.634 35.467 1.00 14.86 MOL2 ATOM 1738 CG2 VAL 5048 9.120 26.081 34.880 1.00 14.69 MOL2 ATOM 1739 C VAL 5048 9.598 23.608 37.833 1.00 10.88 MOL2 ATOM 1740 O VAL 5048 9.935 22.449 37.598 1.00 11.68 MOL2 ATOM 1741 N ALA 5049 9.773 24.149 39.051 1.00 8.46 MOL2 ATOM 1742 CA ALA 5049 10.451 23.425 40.129 1.00 8.26 MOL2 ATOM 1743 CB ALA 5049 10.606 24.335 41.365 1.00 9.90 MOL2 ATOM 1744 C ALA 5049 9.708 22.150 40.536 1.00 7.37 MOL2 ATOM 1745 O ALA 5049 10.317 21.192 41.036 1.00 12.50 MOL2 ATOM 1746 N SER 5050 8.413 22.156 40.316 1.00 7.58 MOL2 ATOM 1747 CA SER 5050 7.564 20.980 40.686 1.00 9.47 MOL2 ATOM 1748 CB SER 5050 6.087 21.362 40.412 1.00 15.26 MOL2 ATOM 1749 OG SER 5050 5.711 20.952 39.110 1.00 32.31 MOL2 ATOM 1750 C SER 5050 7.934 19.783 39.805 1.00 14.15 MOL2 ATOM 1751 O SER 5050 7.713 18.640 40.236 1.00 17.16 MOL2 ATOM 1752 N ASN 5051 8.445 20.031 38.636 1.00 12.90 MOL2 ATOM 1753 CA ASN 5051 9.071 18.824 37.927 1.00 13.61 MOL2 ATOM 1754 CB ASN 5051 8.580 19.000 36.488 1.00 20.84 MOL2 ATOM 1755 CG ASN 5051 7.059 19.023 36.367 1.00 29.01 MOL2 ATOM 1756 OD1 ASN 5051 6.395 18.065 36.756 1.00 30.65 MOL2 ATOM 1757 ND2 ASN 5051 6.460 20.076 35.840 1.00 39.28 MOL2 ATOM 1758 C ASN 5051 10.566 18.701 37.863 1.00 18.15 MOL2 ATOM 1759 O ASN 5051 11.071 17.931 37.068 1.00 17.71 MOL2 ATOM 1760 N ASN 5052 11.291 19.439 38.699 1.00 10.23 MOL2 ATOM 1761 CA ASN 5052 12.749 19.427 38.659 1.00 12.55 MOL2 ATOM 1762 CB ASN 5052 13.233 20.694 37.929 1.00 11.13 MOL2 ATOM 1763 CG ASN 5052 14.719 20.685 37.601 1.00 16.40 MOL2 ATOM 1764 OD1 ASN 5052 15.574 20.808 38.476 1.00 14.42 MOL2 ATOM 1765 ND2 ASN 5052 15.038 20.643 36.311 1.00 36.13 MOL2 ATOM 1766 C ASN 5052 13.336 19.384 40.062 1.00 9.33 MOL2 ATOM 1767 O ASN 5052 13.310 20.366 40.796 1.00 9.84 MOL2 ATOM 1768 N GLU 5053 13.860 18.206 40.410 1.00 12.08 MOL2 ATOM 1769 CA GLU 5053 14.516 17.941 41.695 1.00 15.09 MOL2 ATOM 1770 CB GLU 5053 15.235 16.586 41.633 1.00 19.79 MOL2 ATOM 1771 CG GLU 5053 16.151 16.292 42.796 1.00 31.20 MOL2 ATOM 1772 CD GLU 5053 16.062 14.835 43.211 1.00 49.02 MOL2 ATOM 1773 OE1 GLU 5053 16.882 14.002 42.739 1.00 50.44 MOL2 ATOM 1774 OE2 GLU 5053 15.157 14.503 44.013 1.00 54.23 MOL2 ATOM 1775 C GLU 5053 15.519 19.007 42.147 1.00 16.90 MOL2 ATOM 1776 O GLU 5053 15.408 19.564 43.235 1.00 11.08 MOL2 ATOM 1777 N THR 5054 16.512 19.271 41.307 1.00 11.54 MOL2 ATOM 1778 CA THR 5054 17.525 20.261 41.596 1.00 8.20 MOL2 ATOM 1779 CB THR 5054 18.562 20.325 40.440 1.00 14.56 MOL2 ATOM 1780 OG1 THR 5054 19.371 19.141 40.462 1.00 20.27 MOL2 ATOM 1781 CG2 THR 5054 19.454 21.546 40.583 1.00 16.63 MOL2 ATOM 1782 C THR 5054 16.921 21.644 41.841 1.00 7.98 MOL2 ATOM 1783 O THR 5054 17.302 22.338 42.795 1.00 8.98 MOL2 ATOM 1784 N MET 5055 16.015 22.067 40.963 1.00 8.23 MOL2 ATOM 1785 CA MET 5055 15.388 23.365 41.126 1.00 7.17 MOL2 ATOM 1786 CB MET 5055 14.450 23.700 39.963 1.00 9.06 MOL2 ATOM 1787 CG MET 5055 15.147 23.988 38.640 1.00 35.63 MOL2 ATOM 1788 SD MET 5055 14.098 24.840 37.377 1.00 36.82 MOL2 ATOM 1789 CE MET 5055 13.036 25.851 38.493 1.00 12.77 MOL2 ATOM 1790 C MET 5055 14.580 23.423 42.415 1.00 4.00 MOL2 ATOM 1791 O MET 5055 14.603 24.443 43.081 1.00 6.76 MOL2 ATOM 1792 N ALA 5056 13.795 22.386 42.690 1.00 5.45 MOL2 ATOM 1793 CA ALA 5056 12.955 22.390 43.885 1.00 6.32 MOL2 ATOM 1794 CB ALA 5056 12.073 21.146 43.913 1.00 5.04 MOL2 ATOM 1795 C ALA 5056 13.809 22.491 45.134 1.00 5.78 MOL2 ATOM 1796 O ALA 5056 13.470 23.163 46.084 1.00 4.81 MOL2 ATOM 1797 N THR 5057 14.964 21.824 45.128 1.00 4.45 MOL2 ATOM 1798 CA THR 5057 15.856 21.847 46.279 1.00 5.69 MOL2 ATOM 1799 CB THR 5057 17.011 20.844 46.121 1.00 9.31 MOL2 ATOM 1800 OG1 THR 5057 16.451 19.546 45.915 1.00 14.52 MOL2 ATOM 1801 CG2 THR 5057 17.865 20.785 47.378 1.00 12.42 MOL2 ATOM 1802 C THR 5057 16.413 23.247 46.476 1.00 5.53 MOL2 ATOM 1803 O THR 5057 16.437 23.742 47.629 1.00 6.06 MOL2 ATOM 1804 N ILE 5058 16.874 23.861 45.391 1.00 4.46 MOL2 ATOM 1805 CA ILE 5058 17.395 25.233 45.447 1.00 5.08 MOL2 ATOM 1806 CB ILE 5058 17.885 25.715 44.051 1.00 4.91 MOL2 ATOM 1807 CG2 ILE 5058 18.041 27.234 44.014 1.00 4.63 MOL2 ATOM 1808 CG1 ILE 5058 19.173 24.967 43.659 1.00 8.14 MOL2 ATOM 1809 CD1 ILE 5058 19.632 25.199 42.204 1.00 5.97 MOL2 ATOM 1810 C ILE 5058 16.332 26.204 45.988 1.00 3.73 MOL2 ATOM 1811 O ILE 5058 16.599 27.037 46.843 1.00 5.16 MOL2 ATOM 1812 N LEU 5059 15.105 26.095 45.484 1.00 3.08 MOL2 ATOM 1813 CA LEU 5059 14.051 26.989 45.960 1.00 4.62 MOL2 ATOM 1814 CB LEU 5059 12.760 26.818 45.165 1.00 3.13 MOL2 ATOM 1815 CG LEU 5059 12.854 27.279 43.698 1.00 4.01 MOL2 ATOM 1816 CD1 LEU 5059 11.452 27.229 43.062 1.00 2.00 MOL2 ATOM 1817 CD2 LEU 5059 13.489 28.694 43.590 1.00 5.71 MOL2 ATOM 1818 C LEU 5059 13.756 26.851 47.464 1.00 3.30 MOL2 ATOM 1819 O LEU 5059 13.546 27.853 48.163 1.00 4.34 MOL2 ATOM 1820 N LEU 5060 13.732 25.595 47.937 1.00 3.01 MOL2 ATOM 1821 CA LEU 5060 13.465 25.327 49.353 1.00 5.33 MOL2 ATOM 1822 CB LEU 5060 13.171 23.839 49.593 1.00 5.43 MOL2 ATOM 1823 CG LEU 5060 12.699 23.411 51.004 1.00 6.32 MOL2 ATOM 1824 CD1 LEU 5060 11.551 24.309 51.547 1.00 4.56 MOL2 ATOM 1825 CD2 LEU 5060 12.248 21.949 50.938 1.00 7.24 MOL2 ATOM 1826 C LEU 5060 14.642 25.835 50.206 1.00 5.79 MOL2 ATOM 1827 O LEU 5060 14.405 26.385 51.284 1.00 4.22 MOL2 ATOM 1828 N GLN 5061 15.885 25.599 49.764 1.00 4.09 MOL2 ATOM 1829 CA GLN 5061 17.059 26.154 50.456 1.00 5.86 MOL2 ATOM 1830 CB GLN 5061 18.341 25.861 49.670 1.00 5.47 MOL2 ATOM 1831 CG GLN 5061 18.799 24.417 49.718 1.00 6.07 MOL2 ATOM 1832 CD GLN 5061 19.795 24.059 48.595 1.00 8.85 MOL2 ATOM 1833 OE1 GLN 5061 20.494 24.899 48.062 1.00 11.67 MOL2 ATOM 1834 NE2 GLN 5061 19.804 22.812 48.220 1.00 6.59 MOL2 ATOM 1835 C GLN 5061 16.920 27.695 50.575 1.00 4.43 MOL2 ATOM 1836 O GLN 5061 17.097 28.269 51.654 1.00 4.41 MOL2 ATOM 1837 N ASN 5062 16.512 28.350 49.499 1.00 2.57 MOL2 ATOM 1838 CA ASN 5062 16.382 29.811 49.515 1.00 2.82 MOL2 ATOM 1839 CB ASN 5062 16.308 30.349 48.096 1.00 4.12 MOL2 ATOM 1840 CG ASN 5062 17.664 30.285 47.392 1.00 7.43 MOL2 ATOM 1841 OD1 ASN 5062 18.706 30.194 48.038 1.00 7.45 MOL2 ATOM 1842 ND2 ASN 5062 17.658 30.273 46.052 1.00 5.58 MOL2 ATOM 1843 C ASN 5062 15.217 30.267 50.348 1.00 2.53 MOL2 ATOM 1844 O ASN 5062 15.292 31.323 50.978 1.00 3.31 MOL2 ATOM 1845 N LEU 5063 14.149 29.480 50.378 1.00 2.77 MOL2 ATOM 1846 CA LEU 5063 12.979 29.772 51.220 1.00 2.65 MOL2 ATOM 1847 CB LEU 5063 11.894 28.713 50.991 1.00 3.11 MOL2 ATOM 1848 CG LEU 5063 10.728 28.642 51.985 1.00 9.99 MOL2 ATOM 1849 CD1 LEU 5063 10.275 29.989 52.369 1.00 16.42 MOL2 ATOM 1850 CD2 LEU 5063 9.553 27.889 51.336 1.00 14.32 MOL2 ATOM 1851 C LEU 5063 13.471 29.755 52.708 1.00 3.75 MOL2 ATOM 1852 O LEU 5063 13.103 30.659 53.488 1.00 3.56 MOL2 ATOM 1853 N LEU 5064 14.243 28.754 53.064 1.00 3.65 MOL2 ATOM 1854 CA LEU 5064 14.785 28.650 54.421 1.00 3.48 MOL2 ATOM 1855 CB LEU 5064 15.481 27.293 54.620 1.00 3.67 MOL2 ATOM 1856 CG LEU 5064 14.527 26.072 54.807 1.00 6.73 MOL2 ATOM 1857 CD1 LEU 5064 15.273 24.739 54.629 1.00 4.24 MOL2 ATOM 1858 CD2 LEU 5064 13.858 26.115 56.202 1.00 7.66 MOL2 ATOM 1859 C LEU 5064 15.665 29.831 54.801 1.00 5.20 MOL2 ATOM 1860 O LEU 5064 15.569 30.362 55.914 1.00 4.79 MOL2 ATOM 1861 N ILE 5065 16.417 30.356 53.810 1.00 3.24 MOL2 ATOM 1862 CA ILE 5065 17.271 31.502 54.048 1.00 3.97 MOL2 ATOM 1863 CB ILE 5065 18.226 31.752 52.825 1.00 3.15 MOL2 ATOM 1864 CG2 ILE 5065 18.869 33.114 52.898 1.00 3.50 MOL2 ATOM 1865 CG1 ILE 5065 19.324 30.708 52.805 1.00 4.58 MOL2 ATOM 1866 CD1 ILE 5065 20.080 30.635 51.523 1.00 5.84 MOL2 ATOM 1867 C ILE 5065 16.385 32.742 54.296 1.00 3.71 MOL2 ATOM 1868 O ILE 5065 16.618 33.507 55.218 1.00 4.90 MOL2 ATOM 1869 N GLN 5066 15.333 32.919 53.503 1.00 3.32 MOL2 ATOM 1870 CA GLN 5066 14.402 34.044 53.694 1.00 2.24 MOL2 ATOM 1871 CB GLN 5066 13.389 34.092 52.559 1.00 3.15 MOL2 ATOM 1872 CG GLN 5066 14.011 34.358 51.199 1.00 2.69 MOL2 ATOM 1873 CD GLN 5066 14.760 35.665 51.169 1.00 4.08 MOL2 ATOM 1874 OE1 GLN 5066 14.185 36.727 51.373 1.00 7.06 MOL2 ATOM 1875 NE2 GLN 5066 16.056 35.604 50.958 1.00 6.03 MOL2 ATOM 1876 C GLN 5066 13.663 33.922 55.033 1.00 4.84 MOL2 ATOM 1877 O GLN 5066 13.390 34.910 55.686 1.00 3.42 MOL2 ATOM 1878 N LEU 5067 13.285 32.690 55.372 1.00 2.00 MOL2 ATOM 1879 CA LEU 5067 12.614 32.443 56.648 1.00 3.98 MOL2 ATOM 1880 CB LEU 5067 12.244 30.958 56.775 1.00 3.79 MOL2 ATOM 1881 CG LEU 5067 11.543 30.438 58.055 1.00 6.79 MOL2 ATOM 1882 CD1 LEU 5067 10.349 31.284 58.360 1.00 13.45 MOL2 ATOM 1883 CD2 LEU 5067 11.129 28.992 57.893 1.00 6.80 MOL2 ATOM 1884 C LEU 5067 13.501 32.920 57.818 1.00 5.57 MOL2 ATOM 1885 O LEU 5067 13.026 33.558 58.769 1.00 5.03 MOL2 ATOM 1886 N ASP 5068 14.814 32.645 57.762 1.00 3.55 MOL2 ATOM 1887 CA ASP 5068 15.725 33.106 58.811 1.00 2.46 MOL2 ATOM 1888 CB ASP 5068 17.117 32.508 58.655 1.00 4.44 MOL2 ATOM 1889 CG ASP 5068 17.334 31.283 59.573 1.00 22.70 MOL2 ATOM 1890 OD1 ASP 5068 16.332 30.748 60.141 1.00 13.16 MOL2 ATOM 1891 OD2 ASP 5068 18.486 30.877 59.774 1.00 22.30 MOL2 ATOM 1892 C ASP 5068 15.777 34.627 58.898 1.00 4.87 MOL2 ATOM 1893 O ASP 5068 15.811 35.173 60.000 1.00 6.32 MOL2 ATOM 1894 N GLU 5069 15.774 35.316 57.755 1.00 2.55 MOL2 ATOM 1895 CA GLU 5069 15.750 36.785 57.752 1.00 2.28 MOL2 ATOM 1896 CB GLU 5069 15.813 37.343 56.326 1.00 4.34 MOL2 ATOM 1897 CG GLU 5069 17.142 37.101 55.647 1.00 6.37 MOL2 ATOM 1898 CD GLU 5069 17.363 37.928 54.402 1.00 6.37 MOL2 ATOM 1899 OE1 GLU 5069 16.471 38.674 54.012 1.00 6.46 MOL2 ATOM 1900 OE2 GLU 5069 18.446 37.804 53.823 1.00 8.35 MOL2 ATOM 1901 C GLU 5069 14.466 37.281 58.419 1.00 3.02 MOL2 ATOM 1902 O GLU 5069 14.472 38.249 59.171 1.00 3.47 MOL2 ATOM 1903 N GLN 5070 13.356 36.614 58.147 1.00 3.57 MOL2 ATOM 1904 CA GLN 5070 12.068 36.984 58.731 1.00 2.88 MOL2 ATOM 1905 CB GLN 5070 10.958 36.108 58.170 1.00 4.13 MOL2 ATOM 1906 CG GLN 5070 10.608 36.454 56.728 1.00 10.40 MOL2 ATOM 1907 CD GLN 5070 10.363 37.929 56.564 1.00 13.49 MOL2 ATOM 1908 OE1 GLN 5070 9.496 38.492 57.211 1.00 10.93 MOL2 ATOM 1909 NE2 GLN 5070 11.164 38.568 55.736 1.00 19.65 MOL2 ATOM 1910 C GLN 5070 12.164 36.791 60.234 1.00 4.52 MOL2 ATOM 1911 O GLN 5070 11.671 37.632 60.988 1.00 6.30 MOL2 ATOM 1912 N LEU 5071 12.773 35.680 60.662 1.00 4.21 MOL2 ATOM 1913 CA LEU 5071 12.926 35.405 62.094 1.00 5.17 MOL2 ATOM 1914 CB LEU 5071 13.517 34.030 62.329 1.00 4.94 MOL2 ATOM 1915 CG LEU 5071 12.426 32.976 62.434 1.00 7.34 MOL2 ATOM 1916 CD1 LEU 5071 13.028 31.584 62.314 1.00 8.84 MOL2 ATOM 1917 CD2 LEU 5071 11.636 33.159 63.745 1.00 8.42 MOL2 ATOM 1918 C LEU 5071 13.760 36.491 62.777 1.00 5.46 MOL2 ATOM 1919 O LEU 5071 13.419 36.915 63.878 1.00 6.56 MOL2 ATOM 1920 N GLY 5072 14.786 36.986 62.106 1.00 4.40 MOL2 ATOM 1921 CA GLY 5072 15.584 38.066 62.678 1.00 5.55 MOL2 ATOM 1922 C GLY 5072 14.750 39.330 62.836 1.00 7.33 MOL2 ATOM 1923 O GLY 5072 14.865 40.019 63.867 1.00 6.48 MOL2 ATOM 1924 N ARG 5073 13.882 39.614 61.864 1.00 3.36 MOL2 ATOM 1925 CA ARG 5073 13.045 40.794 61.905 1.00 4.05 MOL2 ATOM 1926 CB ARG 5073 12.369 40.992 60.556 1.00 6.30 MOL2 ATOM 1927 CG ARG 5073 11.356 42.124 60.481 1.00 8.29 MOL2 ATOM 1928 CD ARG 5073 10.748 42.196 59.099 1.00 12.66 MOL2 ATOM 1929 NE ARG 5073 9.676 43.171 59.003 1.00 16.09 MOL2 ATOM 1930 CZ ARG 5073 9.115 43.557 57.847 1.00 18.87 MOL2 ATOM 1931 NH1 ARG 5073 9.531 43.070 56.663 1.00 14.87 MOL2 ATOM 1932 NH2 ARG 5073 8.079 44.394 57.899 1.00 18.50 MOL2 ATOM 1933 C ARG 5073 11.990 40.741 63.013 1.00 5.07 MOL2 ATOM 1934 O ARG 5073 11.844 41.708 63.802 1.00 6.79 MOL2 ATOM 1935 N VAL 5074 11.242 39.636 63.081 1.00 4.64 MOL2 ATOM 1936 CA VAL 5074 10.226 39.537 64.130 1.00 5.59 MOL2 ATOM 1937 CB VAL 5074 9.187 38.411 63.898 1.00 4.39 MOL2 ATOM 1938 CG1 VAL 5074 8.363 38.734 62.634 1.00 7.60 MOL2 ATOM 1939 CG2 VAL 5074 9.833 37.014 63.835 1.00 4.00 MOL2 ATOM 1940 C VAL 5074 10.860 39.435 65.533 1.00 5.56 MOL2 ATOM 1941 O VAL 5074 10.204 39.805 66.528 1.00 6.00 MOL2 ATOM 1942 N SER 5075 12.094 38.952 65.606 1.00 6.42 MOL2 ATOM 1943 CA SER 5075 12.781 38.907 66.902 1.00 5.10 MOL2 ATOM 1944 CB SER 5075 14.074 38.088 66.835 1.00 5.50 MOL2 ATOM 1945 OG SER 5075 13.804 36.729 66.617 1.00 10.61 MOL2 ATOM 1946 C SER 5075 13.065 40.350 67.336 1.00 12.13 MOL2 ATOM 1947 O SER 5075 12.745 40.688 68.465 1.00 8.93 MOL2 ATOM 1948 N LYS 5076 13.573 41.177 66.430 1.00 5.68 MOL2 ATOM 1949 CA LYS 5076 13.867 42.580 66.710 1.00 8.62 MOL2 ATOM 1950 CB LYS 5076 14.565 43.251 65.512 1.00 11.21 MOL2 ATOM 1951 CG LYS 5076 15.173 44.639 65.786 1.00 29.07 MOL2 ATOM 1952 CD LYS 5076 16.267 45.011 64.744 1.00 44.08 MOL2 ATOM 1953 CE LYS 5076 16.900 46.432 64.927 1.00 50.47 MOL2 ATOM 1954 NZ LYS 5076 17.920 46.592 66.050 1.00 44.94 MOL2 ATOM 1955 C LYS 5076 12.579 43.300 67.070 1.00 8.69 MOL2 ATOM 1956 O LYS 5076 12.554 44.105 68.011 1.00 11.07 MOL2 ATOM 1957 N GLU 5077 11.484 42.950 66.396 1.00 7.05 MOL2 ATOM 1958 CA GLU 5077 10.193 43.563 66.652 1.00 6.95 MOL2 ATOM 1959 CB GLU 5077 9.242 43.337 65.481 1.00 9.98 MOL2 ATOM 1960 CG GLU 5077 9.645 44.046 64.188 1.00 11.57 MOL2 ATOM 1961 CD GLU 5077 8.851 43.585 62.964 1.00 15.71 MOL2 ATOM 1962 OE1 GLU 5077 8.151 42.548 63.024 1.00 14.18 MOL2 ATOM 1963 OE2 GLU 5077 9.026 44.203 61.904 1.00 15.51 MOL2 ATOM 1964 C GLU 5077 9.554 42.966 67.906 1.00 7.04 MOL2 ATOM 1965 O GLU 5077 8.590 43.529 68.410 1.00 10.90 MOL2 ATOM 1966 N LYS 5078 10.127 41.901 68.437 1.00 7.37 MOL2 ATOM 1967 CA LYS 5078 9.577 41.212 69.613 1.00 6.35 MOL2 ATOM 1968 CB LYS 5078 9.705 42.052 70.898 1.00 8.04 MOL2 ATOM 1969 CG LYS 5078 11.147 42.387 71.241 1.00 13.25 MOL2 ATOM 1970 CD LYS 5078 11.270 43.199 72.522 1.00 13.21 MOL2 ATOM 1971 CE LYS 5078 11.160 42.321 73.747 1.00 11.82 MOL2 ATOM 1972 NZ LYS 5078 11.333 43.112 75.019 1.00 12.62 MOL2 ATOM 1973 C LYS 5078 8.134 40.749 69.365 1.00 9.75 MOL2 ATOM 1974 O LYS 5078 7.288 40.840 70.241 1.00 8.82 MOL2 ATOM 1975 N ASN 5079 7.841 40.253 68.174 1.00 4.57 MOL2 ATOM 1976 CA ASN 5079 6.500 39.746 67.900 1.00 6.82 MOL2 ATOM 1977 CB ASN 5079 6.194 39.821 66.425 1.00 5.69 MOL2 ATOM 1978 CG ASN 5079 4.766 39.466 66.141 1.00 3.82 MOL2 ATOM 1979 OD1 ASN 5079 4.258 38.465 66.665 1.00 5.20 MOL2 ATOM 1980 ND2 ASN 5079 4.113 40.241 65.256 1.00 6.88 MOL2 ATOM 1981 C ASN 5079 6.507 38.286 68.355 1.00 5.90 MOL2 ATOM 1982 O ASN 5079 6.899 37.370 67.636 1.00 4.93 MOL2 ATOM 1983 N LEU 5080 6.110 38.064 69.604 1.00 4.38 MOL2 ATOM 1984 CA LEU 5080 6.176 36.724 70.178 1.00 5.63 MOL2 ATOM 1985 CB LEU 5080 5.633 36.737 71.624 1.00 6.01 MOL2 ATOM 1986 CG LEU 5080 6.303 37.730 72.593 1.00 9.00 MOL2 ATOM 1987 CD1 LEU 5080 5.873 37.417 74.055 1.00 8.02 MOL2 ATOM 1988 CD2 LEU 5080 7.782 37.646 72.477 1.00 10.08 MOL2 ATOM 1989 C LEU 5080 5.505 35.603 69.366 1.00 2.60 MOL2 ATOM 1990 O LEU 5080 6.127 34.562 69.122 1.00 3.68 MOL2 ATOM 1991 N LEU 5081 4.276 35.837 68.976 1.00 3.03 MOL2 ATOM 1992 CA LEU 5081 3.508 34.866 68.227 1.00 4.36 MOL2 ATOM 1993 CB LEU 5081 2.105 35.404 67.924 1.00 3.90 MOL2 ATOM 1994 CG LEU 5081 1.232 34.478 67.087 1.00 6.40 MOL2 ATOM 1995 CD1 LEU 5081 1.130 33.075 67.750 1.00 7.13 MOL2 ATOM 1996 CD2 LEU 5081 -0.120 35.134 66.897 1.00 8.01 MOL2 ATOM 1997 C LEU 5081 4.225 34.442 66.958 1.00 3.81 MOL2 ATOM 1998 O LEU 5081 4.324 33.258 66.625 1.00 4.84 MOL2 ATOM 1999 N LEU 5082 4.725 35.416 66.213 1.00 3.69 MOL2 ATOM 2000 CA LEU 5082 5.397 35.073 64.950 1.00 4.64 MOL2 ATOM 2001 CB LEU 5082 5.511 36.298 64.016 1.00 4.97 MOL2 ATOM 2002 CG LEU 5082 4.184 36.788 63.413 1.00 7.44 MOL2 ATOM 2003 CD1 LEU 5082 4.436 37.969 62.511 1.00 6.91 MOL2 ATOM 2004 CD2 LEU 5082 3.455 35.660 62.700 1.00 6.35 MOL2 ATOM 2005 C LEU 5082 6.725 34.383 65.169 1.00 4.97 MOL2 ATOM 2006 O LEU 5082 7.073 33.479 64.418 1.00 3.87 MOL2 ATOM 2007 N ILE 5083 7.487 34.805 66.164 1.00 3.61 MOL2 ATOM 2008 CA ILE 5083 8.755 34.123 66.434 1.00 3.05 MOL2 ATOM 2009 CB ILE 5083 9.497 34.716 67.664 1.00 3.83 MOL2 ATOM 2010 CG2 ILE 5083 10.780 33.942 68.004 1.00 3.37 MOL2 ATOM 2011 CG1 ILE 5083 9.843 36.184 67.421 1.00 7.36 MOL2 ATOM 2012 CD1 ILE 5083 10.120 36.975 68.730 1.00 5.88 MOL2 ATOM 2013 C ILE 5083 8.470 32.659 66.750 1.00 3.10 MOL2 ATOM 2014 O ILE 5083 9.077 31.734 66.195 1.00 4.02 MOL2 ATOM 2015 N HIS 5084 7.500 32.469 67.648 1.00 2.70 MOL2 ATOM 2016 CA HIS 5084 7.119 31.136 68.086 1.00 3.47 MOL2 ATOM 2017 CB HIS 5084 5.994 31.265 69.145 1.00 3.12 MOL2 ATOM 2018 CG HIS 5084 5.498 29.989 69.676 1.00 3.63 MOL2 ATOM 2019 CD2 HIS 5084 6.046 29.116 70.623 1.00 2.00 MOL2 ATOM 2020 ND1 HIS 5084 4.293 29.426 69.350 1.00 6.70 MOL2 ATOM 2021 CE1 HIS 5084 4.082 28.307 70.033 1.00 2.00 MOL2 ATOM 2022 NE2 HIS 5084 5.148 28.130 70.804 1.00 11.51 MOL2 ATOM 2023 C HIS 5084 6.658 30.266 66.900 1.00 4.05 MOL2 ATOM 2024 O HIS 5084 7.119 29.151 66.698 1.00 3.32 MOL2 ATOM 2025 N ASN 5085 5.720 30.792 66.107 1.00 3.32 MOL2 ATOM 2026 CA ASN 5085 5.179 30.061 64.947 1.00 3.57 MOL2 ATOM 2027 CB ASN 5085 3.989 30.817 64.308 1.00 3.87 MOL2 ATOM 2028 CG ASN 5085 2.697 30.648 65.091 1.00 6.69 MOL2 ATOM 2029 OD1 ASN 5085 1.642 31.147 64.679 1.00 11.99 MOL2 ATOM 2030 ND2 ASN 5085 2.782 30.055 66.270 1.00 2.55 MOL2 ATOM 2031 C ASN 5085 6.245 29.821 63.881 1.00 3.62 MOL2 ATOM 2032 O ASN 5085 6.320 28.728 63.328 1.00 3.96 MOL2 ATOM 2033 N LEU 5086 7.032 30.816 63.575 1.00 3.60 MOL2 ATOM 2034 CA LEU 5086 8.080 30.653 62.554 1.00 5.25 MOL2 ATOM 2035 CB LEU 5086 8.734 31.983 62.189 1.00 4.11 MOL2 ATOM 2036 CG LEU 5086 7.881 32.972 61.369 1.00 5.76 MOL2 ATOM 2037 CD1 LEU 5086 8.666 34.241 61.113 1.00 5.04 MOL2 ATOM 2038 CD2 LEU 5086 7.410 32.342 60.041 1.00 8.01 MOL2 ATOM 2039 C LEU 5086 9.127 29.603 62.888 1.00 4.95 MOL2 ATOM 2040 O LEU 5086 9.571 28.886 61.990 1.00 6.00 MOL2 ATOM 2041 N LYS 5087 9.556 29.524 64.139 1.00 3.33 MOL2 ATOM 2042 CA LYS 5087 10.530 28.492 64.502 1.00 5.81 MOL2 ATOM 2043 CB LYS 5087 11.114 28.717 65.908 1.00 5.39 MOL2 ATOM 2044 CG LYS 5087 12.017 29.925 65.955 1.00 5.87 MOL2 ATOM 2045 CD LYS 5087 12.777 29.972 67.256 1.00 8.12 MOL2 ATOM 2046 CE LYS 5087 13.732 31.140 67.252 1.00 10.59 MOL2 ATOM 2047 NZ LYS 5087 14.611 31.149 68.440 1.00 12.80 MOL2 ATOM 2048 C LYS 5087 9.971 27.074 64.344 1.00 3.53 MOL2 ATOM 2049 O LYS 5087 10.684 26.177 63.958 1.00 4.87 MOL2 ATOM 2050 N ARG 5088 8.689 26.886 64.633 1.00 3.42 MOL2 ATOM 2051 CA ARG 5088 8.069 25.572 64.467 1.00 4.23 MOL2 ATOM 2052 CB ARG 5088 6.697 25.562 65.119 1.00 3.70 MOL2 ATOM 2053 CG ARG 5088 6.766 25.600 66.627 1.00 6.50 MOL2 ATOM 2054 CD ARG 5088 5.405 25.383 67.251 1.00 8.02 MOL2 ATOM 2055 NE ARG 5088 5.522 25.275 68.690 1.00 5.60 MOL2 ATOM 2056 CZ ARG 5088 4.546 24.888 69.470 1.00 8.02 MOL2 ATOM 2057 NH1 ARG 5088 3.371 24.588 68.948 1.00 6.14 MOL2 ATOM 2058 NH2 ARG 5088 4.773 24.778 70.790 1.00 6.90 MOL2 ATOM 2059 C ARG 5088 7.957 25.247 62.955 1.00 2.27 MOL2 ATOM 2060 O ARG 5088 8.237 24.141 62.524 1.00 3.38 MOL2 ATOM 2061 N ILE 5089 7.637 26.271 62.169 1.00 4.11 MOL2 ATOM 2062 CA ILE 5089 7.543 26.124 60.715 1.00 4.93 MOL2 ATOM 2063 CB ILE 5089 6.968 27.437 60.065 1.00 3.67 MOL2 ATOM 2064 CG2 ILE 5089 7.272 27.498 58.578 1.00 4.02 MOL2 ATOM 2065 CG1 ILE 5089 5.467 27.539 60.389 1.00 5.67 MOL2 ATOM 2066 CD1 ILE 5089 4.890 28.914 60.153 1.00 6.38 MOL2 ATOM 2067 C ILE 5089 8.927 25.752 60.156 1.00 5.33 MOL2 ATOM 2068 O ILE 5089 9.062 24.916 59.271 1.00 4.05 MOL2 ATOM 2069 N ARG 5090 9.967 26.450 60.615 1.00 2.64 MOL2 ATOM 2070 CA ARG 5090 11.333 26.132 60.186 1.00 2.99 MOL2 ATOM 2071 CB ARG 5090 12.353 27.006 60.912 1.00 2.99 MOL2 ATOM 2072 CG ARG 5090 13.745 26.821 60.412 1.00 5.70 MOL2 ATOM 2073 CD ARG 5090 14.693 27.813 61.049 1.00 6.57 MOL2 ATOM 2074 NE ARG 5090 14.810 27.646 62.503 1.00 9.08 MOL2 ATOM 2075 CZ ARG 5090 15.367 28.540 63.323 1.00 6.51 MOL2 ATOM 2076 NH1 ARG 5090 15.841 29.665 62.840 1.00 11.15 MOL2 ATOM 2077 NH2 ARG 5090 15.474 28.274 64.611 1.00 10.54 MOL2 ATOM 2078 C ARG 5090 11.671 24.643 60.395 1.00 4.23 MOL2 ATOM 2079 O ARG 5090 12.168 23.990 59.489 1.00 4.86 MOL2 ATOM 2080 N LYS 5091 11.359 24.084 61.555 1.00 3.65 MOL2 ATOM 2081 CA LYS 5091 11.611 22.657 61.825 1.00 4.08 MOL2 ATOM 2082 CB LYS 5091 11.101 22.246 63.209 1.00 7.04 MOL2 ATOM 2083 CG LYS 5091 11.883 22.742 64.333 1.00 11.37 MOL2 ATOM 2084 CD LYS 5091 11.431 22.004 65.628 1.00 14.63 MOL2 ATOM 2085 CE LYS 5091 12.200 22.474 66.858 1.00 40.67 MOL2 ATOM 2086 NZ LYS 5091 11.879 21.720 68.115 1.00 30.75 MOL2 ATOM 2087 C LYS 5091 10.884 21.782 60.799 1.00 3.88 MOL2 ATOM 2088 O LYS 5091 11.486 20.848 60.275 1.00 6.71 MOL2 ATOM 2089 N VAL 5092 9.625 22.089 60.517 1.00 3.24 MOL2 ATOM 2090 CA VAL 5092 8.853 21.295 59.552 1.00 5.52 MOL2 ATOM 2091 CB VAL 5092 7.373 21.753 59.468 1.00 8.30 MOL2 ATOM 2092 CG1 VAL 5092 6.623 20.992 58.394 1.00 6.77 MOL2 ATOM 2093 CG2 VAL 5092 6.677 21.555 60.819 1.00 7.59 MOL2 ATOM 2094 C VAL 5092 9.484 21.385 58.171 1.00 4.78 MOL2 ATOM 2095 O VAL 5092 9.640 20.390 57.479 1.00 6.06 MOL2 ATOM 2096 N LEU 5093 9.830 22.603 57.765 1.00 5.69 MOL2 ATOM 2097 CA LEU 5093 10.437 22.816 56.444 1.00 5.09 MOL2 ATOM 2098 CB LEU 5093 10.453 24.301 56.047 1.00 6.61 MOL2 ATOM 2099 CG LEU 5093 9.047 24.864 55.768 1.00 6.52 MOL2 ATOM 2100 CD1 LEU 5093 9.137 26.313 55.368 1.00 5.61 MOL2 ATOM 2101 CD2 LEU 5093 8.312 24.036 54.696 1.00 9.59 MOL2 ATOM 2102 C LEU 5093 11.810 22.153 56.292 1.00 5.15 MOL2 ATOM 2103 O LEU 5093 12.160 21.707 55.186 1.00 4.54 MOL2 ATOM 2104 N GLN 5094 12.569 22.096 57.384 1.00 5.08 MOL2 ATOM 2105 CA GLN 5094 13.863 21.417 57.377 1.00 5.72 MOL2 ATOM 2106 CB GLN 5094 14.556 21.533 58.728 1.00 3.54 MOL2 ATOM 2107 CG GLN 5094 15.211 22.830 58.996 1.00 6.20 MOL2 ATOM 2108 CD GLN 5094 15.674 22.916 60.457 1.00 7.27 MOL2 ATOM 2109 OE1 GLN 5094 14.881 23.169 61.324 1.00 8.14 MOL2 ATOM 2110 NE2 GLN 5094 16.925 22.638 60.729 1.00 5.62 MOL2 ATOM 2111 C GLN 5094 13.651 19.955 57.052 1.00 3.84 MOL2 ATOM 2112 O GLN 5094 14.400 19.342 56.335 1.00 6.43 MOL2 ATOM 2113 N GLY 5095 12.574 19.398 57.596 1.00 4.69 MOL2 ATOM 2114 CA GLY 5095 12.233 18.014 57.333 1.00 5.94 MOL2 ATOM 2115 C GLY 5095 11.830 17.816 55.859 1.00 6.45 MOL2 ATOM 2116 O GLY 5095 12.131 16.794 55.255 1.00 7.01 MOL2 ATOM 2117 N LYS 5096 11.138 18.798 55.279 1.00 5.56 MOL2 ATOM 2118 CA LYS 5096 10.754 18.723 53.875 1.00 6.53 MOL2 ATOM 2119 CB LYS 5096 9.804 19.872 53.500 1.00 7.60 MOL2 ATOM 2120 CG LYS 5096 8.494 19.876 54.275 1.00 7.54 MOL2 ATOM 2121 CD LYS 5096 7.744 18.565 54.097 1.00 13.28 MOL2 ATOM 2122 CE LYS 5096 6.497 18.600 54.932 1.00 18.83 MOL2 ATOM 2123 NZ LYS 5096 5.675 17.382 54.769 1.00 21.05 MOL2 ATOM 2124 C LYS 5096 12.022 18.784 53.017 1.00 8.33 MOL2 ATOM 2125 O LYS 5096 12.103 18.100 52.011 1.00 9.93 MOL2 ATOM 2126 N PHE 5097 12.989 19.616 53.380 1.00 6.27 MOL2 ATOM 2127 CA PHE 5097 14.255 19.687 52.647 1.00 7.71 MOL2 ATOM 2128 CB PHE 5097 15.226 20.728 53.271 1.00 6.96 MOL2 ATOM 2129 CG PHE 5097 16.649 20.615 52.768 1.00 5.14 MOL2 ATOM 2130 CD1 PHE 5097 17.043 21.256 51.588 1.00 6.58 MOL2 ATOM 2131 CD2 PHE 5097 17.591 19.895 53.486 1.00 7.85 MOL2 ATOM 2132 CE1 PHE 5097 18.371 21.158 51.155 1.00 7.12 MOL2 ATOM 2133 CE2 PHE 5097 18.907 19.799 53.058 1.00 8.80 MOL2 ATOM 2134 CZ PHE 5097 19.295 20.427 51.900 1.00 9.46 MOL2 ATOM 2135 C PHE 5097 14.941 18.283 52.581 1.00 8.58 MOL2 ATOM 2136 O PHE 5097 15.484 17.929 51.566 1.00 8.74 MOL2 ATOM 2137 N HIS 5098 14.921 17.536 53.663 1.00 7.18 MOL2 ATOM 2138 CA HIS 5098 15.534 16.239 53.692 1.00 9.61 MOL2 ATOM 2139 CB HIS 5098 15.926 15.862 55.113 1.00 8.66 MOL2 ATOM 2140 CG HIS 5098 17.130 16.609 55.606 1.00 6.96 MOL2 ATOM 2141 CD2 HIS 5098 18.442 16.373 55.419 1.00 4.87 MOL2 ATOM 2142 ND1 HIS 5098 17.034 17.794 56.294 1.00 6.57 MOL2 ATOM 2143 CE1 HIS 5098 18.246 18.263 56.501 1.00 2.60 MOL2 ATOM 2144 NE2 HIS 5098 19.123 17.421 55.978 1.00 12.71 MOL2 ATOM 2145 C HIS 5098 14.640 15.180 53.079 1.00 12.84 MOL2 ATOM 2146 O HIS 5098 15.087 14.111 52.756 1.00 16.47 MOL2 ATOM 2147 N GLY 5099 13.383 15.508 52.862 1.00 6.94 MOL2 ATOM 2148 CA GLY 5099 12.462 14.549 52.289 1.00 8.09 MOL2 ATOM 2149 C GLY 5099 12.121 14.725 50.820 1.00 12.22 MOL2 ATOM 2150 O GLY 5099 12.821 14.222 49.938 1.00 27.13 MOL2 ATOM 2151 N ASN 5100 11.133 15.566 50.554 1.00 13.20 MOL2 ATOM 2152 CA ASN 5100 10.633 15.781 49.190 1.00 12.30 MOL2 ATOM 2153 CB ASN 5100 9.294 15.033 49.108 1.00 20.73 MOL2 ATOM 2154 CG ASN 5100 8.812 14.802 47.687 1.00 23.75 MOL2 ATOM 2155 OD1 ASN 5100 7.875 14.021 47.474 1.00 46.72 MOL2 ATOM 2156 ND2 ASN 5100 9.432 15.446 46.717 1.00 15.67 MOL2 ATOM 2157 C ASN 5100 10.425 17.253 48.824 1.00 8.07 MOL2 ATOM 2158 O ASN 5100 9.295 17.732 48.876 1.00 10.98 MOL2 ATOM 2159 N PRO 5101 11.500 17.991 48.427 1.00 5.41 MOL2 ATOM 2160 CD PRO 5101 12.929 17.616 48.383 1.00 7.37 MOL2 ATOM 2161 CA PRO 5101 11.322 19.397 48.059 1.00 7.00 MOL2 ATOM 2162 CB PRO 5101 12.750 19.841 47.690 1.00 8.30 MOL2 ATOM 2163 CG PRO 5101 13.617 18.949 48.497 1.00 12.24 MOL2 ATOM 2164 C PRO 5101 10.372 19.638 46.887 1.00 8.06 MOL2 ATOM 2165 O PRO 5101 9.718 20.665 46.824 1.00 7.70 MOL2 ATOM 2166 N MET 5102 10.309 18.696 45.942 1.00 6.61 MOL2 ATOM 2167 CA MET 5102 9.436 18.854 44.777 1.00 8.67 MOL2 ATOM 2168 CB MET 5102 9.568 17.677 43.819 1.00 12.63 MOL2 ATOM 2169 CG MET 5102 10.589 17.830 42.746 1.00 27.07 MOL2 ATOM 2170 SD MET 5102 10.488 16.398 41.607 1.00 28.48 MOL2 ATOM 2171 CE MET 5102 8.733 16.042 41.686 1.00 20.69 MOL2 ATOM 2172 C MET 5102 7.990 18.982 45.190 1.00 8.26 MOL2 ATOM 2173 O MET 5102 7.222 19.771 44.603 1.00 9.99 MOL2 ATOM 2174 N HIS 5103 7.609 18.216 46.222 1.00 6.19 MOL2 ATOM 2175 CA HIS 5103 6.236 18.295 46.679 1.00 13.67 MOL2 ATOM 2176 CB HIS 5103 5.860 17.167 47.640 1.00 11.11 MOL2 ATOM 2177 CG HIS 5103 4.407 17.111 47.906 1.00 14.70 MOL2 ATOM 2178 CD2 HIS 5103 3.347 16.939 47.069 1.00 10.66 MOL2 ATOM 2179 ND1 HIS 5103 3.871 17.403 49.143 1.00 16.02 MOL2 ATOM 2180 CE1 HIS 5103 2.550 17.419 49.049 1.00 11.39 MOL2 ATOM 2181 NE2 HIS 5103 2.214 17.141 47.809 1.00 20.32 MOL2 ATOM 2182 C HIS 5103 5.869 19.663 47.262 1.00 11.13 MOL2 ATOM 2183 O HIS 5103 4.705 20.103 47.139 1.00 9.52 MOL2 ATOM 2184 N VAL 5104 6.819 20.296 47.953 1.00 6.06 MOL2 ATOM 2185 CA VAL 5104 6.596 21.647 48.463 1.00 6.29 MOL2 ATOM 2186 CB VAL 5104 7.877 22.174 49.233 1.00 10.86 MOL2 ATOM 2187 CG1 VAL 5104 7.711 23.649 49.642 1.00 6.89 MOL2 ATOM 2188 CG2 VAL 5104 8.182 21.284 50.438 1.00 7.99 MOL2 ATOM 2189 C VAL 5104 6.297 22.576 47.231 1.00 7.40 MOL2 ATOM 2190 O VAL 5104 5.366 23.384 47.266 1.00 5.29 MOL2 ATOM 2191 N ALA 5105 7.068 22.417 46.143 1.00 5.37 MOL2 ATOM 2192 CA ALA 5105 6.883 23.244 44.946 1.00 6.28 MOL2 ATOM 2193 CB ALA 5105 7.953 22.911 43.910 1.00 5.41 MOL2 ATOM 2194 C ALA 5105 5.474 23.021 44.386 1.00 2.37 MOL2 ATOM 2195 O ALA 5105 4.834 23.968 43.927 1.00 3.40 MOL2 ATOM 2196 N VAL 5106 5.012 21.776 44.405 1.00 3.95 MOL2 ATOM 2197 CA VAL 5106 3.679 21.417 43.912 1.00 5.03 MOL2 ATOM 2198 CB VAL 5106 3.386 19.902 44.043 1.00 7.77 MOL2 ATOM 2199 CG1 VAL 5106 1.922 19.615 43.731 1.00 8.40 MOL2 ATOM 2200 CG2 VAL 5106 4.308 19.098 43.120 1.00 8.79 MOL2 ATOM 2201 C VAL 5106 2.628 22.179 44.732 1.00 6.19 MOL2 ATOM 2202 O VAL 5106 1.745 22.845 44.203 1.00 6.94 MOL2 ATOM 2203 N VAL 5107 2.736 22.095 46.047 1.00 5.83 MOL2 ATOM 2204 CA VAL 5107 1.765 22.767 46.901 1.00 6.06 MOL2 ATOM 2205 CB VAL 5107 2.008 22.390 48.409 1.00 6.83 MOL2 ATOM 2206 CG1 VAL 5107 1.095 23.193 49.347 1.00 5.86 MOL2 ATOM 2207 CG2 VAL 5107 1.815 20.880 48.603 1.00 5.06 MOL2 ATOM 2208 C VAL 5107 1.741 24.274 46.693 1.00 3.55 MOL2 ATOM 2209 O VAL 5107 0.695 24.875 46.605 1.00 4.97 MOL2 ATOM 2210 N ILE 5108 2.924 24.907 46.647 1.00 4.07 MOL2 ATOM 2211 CA ILE 5108 2.946 26.362 46.438 1.00 6.87 MOL2 ATOM 2212 CB ILE 5108 4.395 26.926 46.644 1.00 4.99 MOL2 ATOM 2213 CG2 ILE 5108 4.427 28.441 46.448 1.00 5.02 MOL2 ATOM 2214 CG1 ILE 5108 4.863 26.616 48.071 1.00 3.91 MOL2 ATOM 2215 CD1 ILE 5108 6.270 27.023 48.384 1.00 5.27 MOL2 ATOM 2216 C ILE 5108 2.369 26.741 45.046 1.00 4.25 MOL2 ATOM 2217 O ILE 5108 1.614 27.684 44.882 1.00 5.28 MOL2 ATOM 2218 N SER 5109 2.751 25.962 44.044 1.00 4.61 MOL2 ATOM 2219 CA SER 5109 2.271 26.192 42.673 1.00 5.65 MOL2 ATOM 2220 CB SER 5109 2.827 25.122 41.733 1.00 6.67 MOL2 ATOM 2221 OG SER 5109 4.247 25.164 41.738 1.00 22.72 MOL2 ATOM 2222 C SER 5109 0.745 26.136 42.654 1.00 4.51 MOL2 ATOM 2223 O SER 5109 0.081 27.049 42.115 1.00 7.14 MOL2 ATOM 2224 N ASN 5110 0.143 25.126 43.285 1.00 5.13 MOL2 ATOM 2225 CA ASN 5110 -1.328 24.984 43.336 1.00 4.71 MOL2 ATOM 2226 CB ASN 5110 -1.720 23.676 44.046 1.00 4.55 MOL2 ATOM 2227 CG ASN 5110 -1.394 22.430 43.244 1.00 9.73 MOL2 ATOM 2228 OD1 ASN 5110 -1.058 22.519 42.072 1.00 11.81 MOL2 ATOM 2229 ND2 ASN 5110 -1.435 21.268 43.878 1.00 13.65 MOL2 ATOM 2230 C ASN 5110 -1.965 26.153 44.080 1.00 3.68 MOL2 ATOM 2231 O ASN 5110 -2.993 26.681 43.689 1.00 4.38 MOL2 ATOM 2232 N CYS 5111 -1.364 26.529 45.176 1.00 3.52 MOL2 ATOM 2233 CA CYS 5111 -1.894 27.616 45.986 1.00 4.45 MOL2 ATOM 2234 CB CYS 5111 -1.018 27.786 47.225 1.00 5.69 MOL2 ATOM 2235 SG CYS 5111 -1.570 29.091 48.371 1.00 9.91 MOL2 ATOM 2236 C CYS 5111 -1.959 28.931 45.175 1.00 3.04 MOL2 ATOM 2237 O CYS 5111 -2.984 29.614 45.152 1.00 4.88 MOL2 ATOM 2238 N LEU 5112 -0.867 29.265 44.503 1.00 4.56 MOL2 ATOM 2239 CA LEU 5112 -0.838 30.491 43.717 1.00 3.16 MOL2 ATOM 2240 CB LEU 5112 0.568 30.758 43.208 1.00 6.28 MOL2 ATOM 2241 CG LEU 5112 1.606 31.062 44.280 1.00 7.19 MOL2 ATOM 2242 CD1 LEU 5112 2.969 31.204 43.657 1.00 7.69 MOL2 ATOM 2243 CD2 LEU 5112 1.237 32.338 45.058 1.00 8.86 MOL2 ATOM 2244 C LEU 5112 -1.834 30.459 42.545 1.00 2.72 MOL2 ATOM 2245 O LEU 5112 -2.479 31.457 42.242 1.00 6.18 MOL2 ATOM 2246 N ARG 5113 -1.988 29.291 41.912 1.00 4.92 MOL2 ATOM 2247 CA ARG 5113 -2.929 29.195 40.795 1.00 4.60 MOL2 ATOM 2248 CB ARG 5113 -2.721 27.890 40.044 1.00 4.08 MOL2 ATOM 2249 CG ARG 5113 -3.702 27.713 38.967 1.00 5.67 MOL2 ATOM 2250 CD ARG 5113 -3.380 26.527 38.095 1.00 11.26 MOL2 ATOM 2251 NE ARG 5113 -4.238 26.662 36.935 1.00 18.43 MOL2 ATOM 2252 CZ ARG 5113 -4.971 25.697 36.384 1.00 25.83 MOL2 ATOM 2253 NH1 ARG 5113 -4.941 24.482 36.894 1.00 18.87 MOL2 ATOM 2254 NH2 ARG 5113 -5.710 25.985 35.302 1.00 13.06 MOL2 ATOM 2255 C ARG 5113 -4.358 29.306 41.319 1.00 4.15 MOL2 ATOM 2256 O ARG 5113 -5.224 29.900 40.657 1.00 5.21 MOL2 ATOM 2257 N GLU 5114 -4.610 28.722 42.480 1.00 4.17 MOL2 ATOM 2258 CA GLU 5114 -5.936 28.801 43.092 1.00 6.88 MOL2 ATOM 2259 CB GLU 5114 -5.987 27.967 44.371 1.00 6.52 MOL2 ATOM 2260 CG GLU 5114 -7.304 28.076 45.133 1.00 5.92 MOL2 ATOM 2261 CD GLU 5114 -8.499 27.477 44.430 1.00 9.15 MOL2 ATOM 2262 OE1 GLU 5114 -8.401 26.882 43.339 1.00 6.07 MOL2 ATOM 2263 OE2 GLU 5114 -9.586 27.633 44.983 1.00 7.63 MOL2 ATOM 2264 C GLU 5114 -6.323 30.279 43.369 1.00 3.42 MOL2 ATOM 2265 O GLU 5114 -7.474 30.697 43.150 1.00 4.10 MOL2 ATOM 2266 N GLU 5115 -5.351 31.075 43.828 1.00 3.33 MOL2 ATOM 2267 CA GLU 5115 -5.595 32.485 44.062 1.00 3.06 MOL2 ATOM 2268 CB GLU 5115 -4.366 33.162 44.649 1.00 5.20 MOL2 ATOM 2269 CG GLU 5115 -4.064 32.773 46.093 1.00 6.54 MOL2 ATOM 2270 CD GLU 5115 -2.779 33.414 46.619 1.00 7.90 MOL2 ATOM 2271 OE1 GLU 5115 -2.090 34.128 45.870 1.00 6.38 MOL2 ATOM 2272 OE2 GLU 5115 -2.492 33.239 47.811 1.00 8.53 MOL2 ATOM 2273 C GLU 5115 -5.936 33.173 42.732 1.00 4.44 MOL2 ATOM 2274 O GLU 5115 -6.829 34.018 42.701 1.00 5.02 MOL2 ATOM 2275 N ARG 5116 -5.213 32.836 41.654 1.00 5.34 MOL2 ATOM 2276 CA ARG 5116 -5.513 33.432 40.331 1.00 5.16 MOL2 ATOM 2277 CB ARG 5116 -4.533 32.927 39.245 1.00 4.64 MOL2 ATOM 2278 CG ARG 5116 -3.090 33.341 39.488 1.00 8.36 MOL2 ATOM 2279 CD ARG 5116 -2.158 33.157 38.298 1.00 6.11 MOL2 ATOM 2280 NE ARG 5116 -2.009 31.791 37.825 1.00 9.22 MOL2 ATOM 2281 CZ ARG 5116 -1.132 30.908 38.321 1.00 13.03 MOL2 ATOM 2282 NH1 ARG 5116 -0.325 31.243 39.317 1.00 10.33 MOL2 ATOM 2283 NH2 ARG 5116 -1.040 29.681 37.822 1.00 11.53 MOL2 ATOM 2284 C ARG 5116 -6.969 33.104 39.936 1.00 5.23 MOL2 ATOM 2285 O ARG 5116 -7.689 33.965 39.423 1.00 5.29 MOL2 ATOM 2286 N ARG 5117 -7.383 31.871 40.172 1.00 4.25 MOL2 ATOM 2287 CA ARG 5117 -8.757 31.455 39.857 1.00 3.73 MOL2 ATOM 2288 CB ARG 5117 -8.990 29.968 40.170 1.00 3.54 MOL2 ATOM 2289 CG ARG 5117 -10.410 29.507 39.745 1.00 3.57 MOL2 ATOM 2290 CD ARG 5117 -10.743 28.112 40.238 1.00 4.17 MOL2 ATOM 2291 NE ARG 5117 -10.879 28.023 41.700 1.00 5.85 MOL2 ATOM 2292 CZ ARG 5117 -11.928 28.455 42.404 1.00 5.79 MOL2 ATOM 2293 NH1 ARG 5117 -12.977 29.039 41.808 1.00 5.79 MOL2 ATOM 2294 NH2 ARG 5117 -11.944 28.315 43.726 1.00 6.67 MOL2 ATOM 2295 C ARG 5117 -9.765 32.303 40.663 1.00 5.12 MOL2 ATOM 2296 O ARG 5117 -10.716 32.866 40.128 1.00 4.21 MOL2 ATOM 2297 N ILE 5118 -9.515 32.392 41.971 1.00 4.28 MOL2 ATOM 2298 CA ILE 5118 -10.384 33.141 42.858 1.00 4.42 MOL2 ATOM 2299 CB ILE 5118 -9.997 32.868 44.337 1.00 4.63 MOL2 ATOM 2300 CG2 ILE 5118 -10.733 33.852 45.271 1.00 6.66 MOL2 ATOM 2301 CG1 ILE 5118 -10.312 31.403 44.723 1.00 5.76 MOL2 ATOM 2302 CD1 ILE 5118 -9.834 31.006 46.137 1.00 8.11 MOL2 ATOM 2303 C ILE 5118 -10.424 34.640 42.515 1.00 2.94 MOL2 ATOM 2304 O ILE 5118 -11.483 35.274 42.527 1.00 5.08 MOL2 ATOM 2305 N LEU 5119 -9.265 35.204 42.193 1.00 3.72 MOL2 ATOM 2306 CA LEU 5119 -9.227 36.622 41.836 1.00 3.53 MOL2 ATOM 2307 CB LEU 5119 -7.774 37.064 41.635 1.00 6.58 MOL2 ATOM 2308 CG LEU 5119 -6.937 37.172 42.920 1.00 5.97 MOL2 ATOM 2309 CD1 LEU 5119 -5.479 37.340 42.584 1.00 8.40 MOL2 ATOM 2310 CD2 LEU 5119 -7.450 38.385 43.738 1.00 7.72 MOL2 ATOM 2311 C LEU 5119 -10.064 36.915 40.574 1.00 6.66 MOL2 ATOM 2312 O LEU 5119 -10.748 37.913 40.488 1.00 7.29 MOL2 ATOM 2313 N ALA 5120 -9.998 36.000 39.611 1.00 7.06 MOL2 ATOM 2314 CA ALA 5120 -10.715 36.137 38.342 1.00 5.46 MOL2 ATOM 2315 CB ALA 5120 -10.219 35.123 37.344 1.00 4.43 MOL2 ATOM 2316 C ALA 5120 -12.204 35.954 38.570 1.00 6.31 MOL2 ATOM 2317 O ALA 5120 -13.005 36.639 37.933 1.00 9.69 MOL2 ATOM 2318 N ALA 5121 -12.564 35.101 39.517 1.00 4.80 MOL2 ATOM 2319 CA ALA 5121 -13.961 34.819 39.803 1.00 5.19 MOL2 ATOM 2320 CB ALA 5121 -14.076 33.486 40.514 1.00 6.37 MOL2 ATOM 2321 C ALA 5121 -14.656 35.876 40.628 1.00 8.88 MOL2 ATOM 2322 O ALA 5121 -15.863 36.010 40.589 1.00 7.75 MOL2 ATOM 2323 N ALA 5122 -13.878 36.584 41.443 1.00 10.32 MOL2 ATOM 2324 CA ALA 5122 -14.399 37.608 42.338 1.00 12.88 MOL2 ATOM 2325 CB ALA 5122 -13.210 38.318 43.030 1.00 11.03 MOL2 ATOM 2326 C ALA 5122 -15.266 38.637 41.617 1.00 9.33 MOL2 ATOM 2327 O ALA 5122 -14.871 39.177 40.581 1.00 9.32 MOL2 ATOM 2328 N ASN 5123 -16.434 38.920 42.164 1.00 10.29 MOL2 ATOM 2329 CA ASN 5123 -17.279 39.941 41.574 1.00 11.46 MOL2 ATOM 2330 CB ASN 5123 -18.721 39.824 42.048 1.00 9.47 MOL2 ATOM 2331 CG ASN 5123 -19.508 38.824 41.234 1.00 16.31 MOL2 ATOM 2332 OD1 ASN 5123 -19.495 38.849 40.015 1.00 12.14 MOL2 ATOM 2333 ND2 ASN 5123 -20.269 37.997 41.883 1.00 22.15 MOL2 ATOM 2334 C ASN 5123 -16.717 41.324 41.856 1.00 16.48 MOL2 ATOM 2335 O ASN 5123 -16.415 41.668 43.001 1.00 17.45 MOL2 ATOM 2336 N MET 5124 -16.561 42.120 40.792 1.00 13.81 MOL2 ATOM 2337 CA MET 5124 -16.031 43.491 40.870 1.00 18.62 MOL2 ATOM 2338 CB MET 5124 -14.512 43.515 40.560 1.00 28.01 MOL2 ATOM 2339 CG MET 5124 -13.650 42.576 41.462 1.00 29.19 MOL2 ATOM 2340 SD MET 5124 -11.852 42.534 41.003 1.00 38.88 MOL2 ATOM 2341 CE MET 5124 -11.209 43.914 41.984 1.00 40.96 MOL2 ATOM 2342 C MET 5124 -16.822 44.389 39.884 1.00 12.58 MOL2 ATOM 2343 O MET 5124 -17.051 44.031 38.744 1.00 14.91 MOL2 ATOM 2344 N PRO 5125 -17.265 45.558 40.337 1.00 9.92 MOL2 ATOM 2345 CD PRO 5125 -17.110 46.172 41.664 1.00 10.34 MOL2 ATOM 2346 CA PRO 5125 -18.021 46.429 39.435 1.00 8.79 MOL2 ATOM 2347 CB PRO 5125 -18.641 47.426 40.401 1.00 9.25 MOL2 ATOM 2348 CG PRO 5125 -17.595 47.583 41.442 1.00 12.70 MOL2 ATOM 2349 C PRO 5125 -17.128 47.138 38.422 1.00 9.73 MOL2 ATOM 2350 O PRO 5125 -15.981 47.506 38.737 1.00 9.35 MOL2 ATOM 2351 N ILE 5126 -17.637 47.304 37.206 1.00 7.64 MOL2 ATOM 2352 CA ILE 5126 -16.901 48.014 36.166 1.00 8.57 MOL2 ATOM 2353 CB ILE 5126 -17.383 47.646 34.743 1.00 10.04 MOL2 ATOM 2354 CG2 ILE 5126 -16.510 48.346 33.708 1.00 12.21 MOL2 ATOM 2355 CG1 ILE 5126 -17.339 46.130 34.533 1.00 17.92 MOL2 ATOM 2356 CD1 ILE 5126 -15.970 45.514 34.714 1.00 15.28 MOL2 ATOM 2357 C ILE 5126 -17.161 49.492 36.366 1.00 12.91 MOL2 ATOM 2358 O ILE 5126 -16.273 50.208 36.752 1.00 37.89 MOL2 ATOM 1 OH2 TIP3 6 13.749 38.224 53.827 1.00 8.65 WAT1 ATOM 2 OH2 TIP3 12 19.793 42.807 58.774 1.00 10.00 WAT1 ATOM 3 OH2 TIP3 14 17.936 58.221 51.116 1.00 5.45 WAT1 ATOM 4 OH2 TIP3 23 19.723 37.212 48.844 1.00 13.43 WAT1 ATOM 5 OH2 TIP3 31 16.531 53.839 28.839 1.00 5.61 WAT1 ATOM 6 OH2 TIP3 33 24.719 47.845 52.165 1.00 7.28 WAT1 ATOM 7 OH2 TIP3 41 10.629 42.024 48.517 1.00 6.11 WAT1 ATOM 8 OH2 TIP3 57 22.927 36.873 41.690 1.00 27.53 WAT1 ATOM 9 OH2 TIP3 64 -2.027 65.028 45.781 1.00 21.27 WAT1 ATOM 10 OH2 TIP3 72 1.118 57.643 47.042 1.00 13.50 WAT1 ATOM 11 OH2 TIP3 75 15.460 53.476 58.664 1.00 13.31 WAT1 ATOM 12 OH2 TIP3 78 13.958 32.669 41.259 1.00 10.02 WAT1 ATOM 13 OH2 TIP3 80 15.335 53.866 31.359 1.00 6.08 WAT1 ATOM 14 OH2 TIP3 90 5.237 56.431 60.754 1.00 8.08 WAT1 ATOM 15 OH2 TIP3 107 13.654 34.564 39.264 1.00 12.23 WAT1 ATOM 16 OH2 TIP3 110 29.845 50.804 32.187 1.00 56.98 WAT1 ATOM 17 OH2 TIP3 114 18.404 55.891 28.550 1.00 6.75 WAT1 ATOM 18 OH2 TIP3 116 -3.553 61.206 45.090 1.00 15.54 WAT1 ATOM 19 OH2 TIP3 120 28.155 53.869 48.011 1.00 16.27 WAT1 ATOM 20 OH2 TIP3 133 18.422 56.939 59.547 1.00 33.04 WAT1 ATOM 21 OH2 TIP3 134 -2.247 61.336 52.109 1.00 22.83 WAT1 ATOM 22 OH2 TIP3 145 32.866 45.147 60.075 1.00 23.66 WAT1 ATOM 23 OH2 TIP3 148 6.187 63.440 60.895 1.00 5.96 WAT1 ATOM 24 OH2 TIP3 152 -4.274 63.287 64.142 1.00 8.76 WAT1 ATOM 25 OH2 TIP3 155 19.448 44.930 28.621 1.00 10.37 WAT1 ATOM 26 OH2 TIP3 157 20.390 35.919 54.564 1.00 12.16 WAT1 ATOM 27 OH2 TIP3 158 10.082 56.742 49.474 1.00 7.49 WAT1 ATOM 28 OH2 TIP3 164 18.276 37.432 51.204 1.00 10.63 WAT1 ATOM 29 OH2 TIP3 166 20.021 60.093 51.723 1.00 18.58 WAT1 ATOM 30 OH2 TIP3 167 24.773 39.362 40.907 1.00 9.72 WAT1 ATOM 31 OH2 TIP3 170 -1.453 64.038 63.976 1.00 14.55 WAT1 ATOM 32 OH2 TIP3 176 20.781 52.740 36.384 1.00 14.25 WAT1 ATOM 33 OH2 TIP3 179 24.630 51.215 31.778 1.00 14.84 WAT1 ATOM 34 OH2 TIP3 185 -1.080 55.196 54.464 1.00 20.69 WAT1 ATOM 35 OH2 TIP3 186 2.334 38.413 41.638 1.00 17.16 WAT1 ATOM 36 OH2 TIP3 188 5.509 42.590 34.387 1.00 20.47 WAT1 ATOM 37 OH2 TIP3 194 31.677 50.150 53.432 1.00 26.59 WAT1 ATOM 38 OH2 TIP3 195 28.590 52.523 40.807 1.00 12.32 WAT1 ATOM 39 OH2 TIP3 208 19.721 35.322 42.512 1.00 11.29 WAT1 ATOM 40 OH2 TIP3 212 20.301 39.984 54.025 1.00 7.46 WAT1 ATOM 41 OH2 TIP3 214 24.481 51.260 34.588 1.00 10.69 WAT1 ATOM 42 OH2 TIP3 215 7.091 42.347 38.233 1.00 20.82 WAT1 ATOM 43 OH2 TIP3 231 6.940 48.009 31.233 1.00 13.71 WAT1 ATOM 44 OH2 TIP3 234 29.997 47.918 37.391 1.00 20.05 WAT1 ATOM 45 OH2 TIP3 235 23.672 44.111 33.873 1.00 36.48 WAT1 ATOM 46 OH2 TIP3 249 8.163 42.099 43.307 1.00 18.14 WAT1 ATOM 47 OH2 TIP3 253 16.032 53.794 36.179 1.00 14.67 WAT1 ATOM 48 OH2 TIP3 255 -16.642 62.805 61.146 1.00 20.52 WAT1 ATOM 49 OH2 TIP3 257 -3.550 60.674 42.150 1.00 12.43 WAT1 ATOM 50 OH2 TIP3 269 7.481 44.611 54.826 1.00 9.86 WAT1 ATOM 51 OH2 TIP3 273 24.291 49.051 30.265 1.00 13.23 WAT1 ATOM 52 OH2 TIP3 291 18.673 42.148 28.333 1.00 14.61 WAT1 ATOM 53 OH2 TIP3 313 11.980 66.723 47.323 1.00 19.72 WAT1 ATOM 54 OH2 TIP3 314 10.921 38.863 45.455 1.00 28.95 WAT1 ATOM 55 OH2 TIP3 332 6.421 41.894 26.000 1.00 18.96 WAT1 ATOM 56 OH2 TIP3 335 23.237 36.960 35.021 1.00 19.75 WAT1 ATOM 57 OH2 TIP3 336 22.581 41.536 29.072 1.00 32.65 WAT1 ATOM 58 OH2 TIP3 353 12.281 64.857 39.334 1.00 10.46 WAT1 ATOM 59 OH2 TIP3 355 4.912 37.462 23.663 1.00 21.86 WAT1 ATOM 60 OH2 TIP3 374 19.829 47.414 30.196 1.00 4.80 WAT1 ATOM 61 OH2 TIP3 376 -0.659 59.868 59.658 1.00 19.10 WAT1 ATOM 62 OH2 TIP3 378 30.667 53.386 46.256 1.00 41.89 WAT1 ATOM 63 OH2 TIP3 408 22.554 41.154 40.608 1.00 8.33 WAT1 ATOM 64 OH2 TIP3 414 5.103 42.384 31.218 1.00 26.92 WAT1 ATOM 65 OH2 TIP3 447 33.409 33.505 49.546 1.00 50.98 WAT1 ATOM 66 OH2 TIP3 465 -15.267 63.370 63.405 1.00 24.69 WAT1 ATOM 67 OH2 TIP3 467 3.020 34.429 41.346 1.00 30.45 WAT1 ATOM 68 OH2 TIP3 487 -7.893 61.402 53.937 1.00 31.85 WAT1 ATOM 69 OH2 TIP3 488 2.921 52.431 42.610 1.00 8.62 WAT1 ATOM 70 OH2 TIP3 491 -1.776 49.989 53.360 1.00 50.24 WAT1 ATOM 71 OH2 TIP3 492 -8.099 67.528 54.009 1.00 54.98 WAT1 ATOM 72 OH2 TIP3 503 5.641 52.004 41.774 1.00 7.96 WAT1 ATOM 73 OH2 TIP3 514 17.845 59.728 59.312 1.00 14.27 WAT1 ATOM 74 OH2 TIP3 517 14.136 34.067 33.204 1.00 27.95 WAT1 ATOM 75 OH2 TIP3 520 28.084 57.742 54.243 1.00 23.33 WAT1 ATOM 76 OH2 TIP3 527 11.196 66.899 44.123 1.00 24.44 WAT1 ATOM 77 OH2 TIP3 535 33.003 48.555 60.402 1.00 40.09 WAT1 ATOM 78 OH2 TIP3 544 33.868 50.915 42.571 1.00 27.10 WAT1 ATOM 79 OH2 TIP3 548 4.771 50.194 35.784 1.00 20.18 WAT1 ATOM 80 OH2 TIP3 561 24.732 32.380 37.887 1.00 42.26 WAT1 ATOM 81 OH2 TIP3 564 21.117 32.392 56.507 1.00 17.28 WAT1 ATOM 82 OH2 TIP3 575 26.489 48.894 63.661 1.00 21.66 WAT1 ATOM 83 OH2 TIP3 582 12.011 58.454 51.203 1.00 17.71 WAT1 ATOM 84 OH2 TIP3 597 14.570 47.974 57.174 1.00 21.20 WAT1 ATOM 85 OH2 TIP3 598 18.484 37.607 33.829 1.00 45.20 WAT1 ATOM 86 OH2 TIP3 609 19.502 36.035 58.490 1.00 21.86 WAT1 ATOM 87 OH2 TIP3 628 25.841 37.483 50.623 1.00 17.26 WAT1 ATOM 88 OH2 TIP3 629 11.045 51.841 58.079 1.00 28.38 WAT1 ATOM 89 OH2 TIP3 640 2.337 41.755 49.765 1.00 28.08 WAT1 ATOM 90 OH2 TIP3 662 33.347 55.078 46.746 1.00 47.75 WAT1 ATOM 91 OH2 TIP3 681 2.714 42.542 55.678 1.00 52.50 WAT1 ATOM 92 OH2 TIP3 721 -7.350 65.756 67.288 1.00 6.73 WAT1 ATOM 93 OH2 TIP3 735 8.224 33.895 37.911 1.00 32.53 WAT1 ATOM 94 OH2 TIP3 737 19.445 55.918 39.674 1.00 18.56 WAT1 ATOM 95 OH2 TIP3 740 14.547 58.624 35.423 1.00 19.99 WAT1 ATOM 96 OH2 TIP3 742 27.440 46.925 64.711 1.00 49.35 WAT1 ATOM 97 OH2 TIP3 764 19.159 63.259 53.431 1.00 37.93 WAT1 ATOM 98 OH2 TIP3 769 11.482 33.094 36.904 1.00 39.92 WAT1 ATOM 99 OH2 TIP3 781 2.836 63.489 54.752 1.00 24.77 WAT1 ATOM 100 OH2 TIP3 784 24.728 51.674 27.263 1.00 39.16 WAT1 ATOM 101 OH2 TIP3 787 20.243 63.112 45.993 1.00 25.73 WAT1 ATOM 102 OH2 TIP3 789 23.893 45.048 30.572 1.00 34.85 WAT1 ATOM 103 OH2 TIP3 800 18.241 49.831 64.067 1.00 47.68 WAT1 ATOM 104 OH2 TIP3 816 10.801 46.266 61.467 1.00 32.50 WAT1 ATOM 105 OH2 TIP3 821 22.054 54.655 32.637 1.00 34.92 WAT1 ATOM 106 OH2 TIP3 829 -3.045 60.292 54.176 1.00 51.95 WAT1 ATOM 107 OH2 TIP3 840 8.390 34.076 28.682 1.00 40.52 WAT1 ATOM 108 OH2 TIP3 842 -1.446 65.198 54.270 1.00 30.20 WAT1 ATOM 109 OH2 TIP3 844 10.822 68.229 49.452 1.00 11.21 WAT1 ATOM 110 OH2 TIP3 858 18.272 46.860 26.751 1.00 8.24 WAT1 ATOM 111 OH2 TIP3 865 15.873 61.551 29.462 1.00 11.41 WAT1 ATOM 112 OH2 TIP3 874 14.673 60.642 67.843 1.00 43.17 WAT1 ATOM 113 OH2 TIP3 901 12.988 38.443 49.358 1.00 15.61 WAT1 ATOM 114 OH2 TIP3 910 17.121 55.468 38.049 1.00 22.91 WAT1 ATOM 115 OH2 TIP3 921 21.005 53.702 39.070 1.00 17.17 WAT1 ATOM 116 OH2 TIP3 924 23.575 53.934 26.656 1.00 22.93 WAT1 ATOM 117 OH2 TIP3 933 1.281 51.187 40.700 1.00 24.31 WAT1 ATOM 118 OH2 TIP3 937 27.320 41.304 28.245 1.00 26.37 WAT1 ATOM 119 OH2 TIP3 942 18.097 61.817 35.632 1.00 18.09 WAT1 ATOM 120 OH2 TIP3 947 17.050 58.255 37.932 1.00 25.11 WAT1 ATOM 121 OH2 TIP3 956 20.870 38.407 33.952 1.00 27.75 WAT1 ATOM 122 OH2 TIP3 958 4.862 61.111 65.036 1.00 19.53 WAT1 ATOM 123 OH2 TIP3 960 -4.399 63.883 60.249 1.00 24.16 WAT1 ATOM 124 OH2 TIP3 970 -4.160 69.990 55.611 1.00 29.76 WAT1 ATOM 125 OH2 TIP3 974 20.076 32.749 47.010 1.00 30.29 WAT1 ATOM 126 OH2 TIP3 984 5.092 42.811 44.120 1.00 21.87 WAT1 ATOM 127 OH2 TIP3 987 23.631 59.509 42.154 1.00 29.24 WAT1 ATOM 128 OH2 TIP3 993 -16.821 65.498 59.426 1.00 25.69 WAT1 ATOM 129 OH2 TIP3 1001 -5.176 59.204 46.588 1.00 25.43 WAT1 ATOM 130 OH2 TIP3 1007 -0.019 54.407 57.181 1.00 30.98 WAT1 ATOM 131 OH2 TIP3 1016 -0.741 66.059 59.732 1.00 30.44 WAT1 ATOM 132 OH2 TIP3 1017 19.966 60.384 60.863 1.00 30.15 WAT1 ATOM 133 OH2 TIP3 1020 22.347 55.536 58.953 1.00 32.90 WAT1 ATOM 134 OH2 TIP3 1024 5.658 46.429 45.642 1.00 30.22 WAT1 ATOM 135 OH2 TIP3 1039 27.175 58.114 46.251 1.00 31.84 WAT1 ATOM 136 OH2 TIP3 1056 24.421 59.648 48.333 1.00 23.79 WAT1 ATOM 137 OH2 TIP3 1062 -9.169 55.702 63.193 1.00 30.45 WAT1 ATOM 138 OH2 TIP3 1094 1.188 70.822 50.751 1.00 29.21 WAT1 ATOM 139 OH2 TIP3 1095 13.249 56.566 63.182 1.00 29.48 WAT1 ATOM 140 OH2 TIP3 1099 27.113 52.205 35.122 1.00 29.96 WAT1 ATOM 141 OH2 TIP3 1109 28.856 31.964 51.134 1.00 29.56 WAT1 ATOM 142 OH2 TIP3 1111 6.652 48.559 37.820 1.00 28.91 WAT1 ATOM 143 OH2 TIP3 1115 28.370 55.349 57.759 1.00 31.16 WAT1 ATOM 144 OH2 TIP3 1122 2.169 41.394 41.305 1.00 36.73 WAT1 ATOM 145 OH2 TIP3 1139 31.971 48.674 38.881 1.00 26.97 WAT1 ATOM 146 OH2 TIP3 1145 -9.291 65.430 52.946 1.00 28.66 WAT1 ATOM 147 OH2 TIP3 1147 27.534 49.607 25.294 1.00 33.41 WAT1 ATOM 148 OH2 TIP3 1154 2.807 49.465 39.577 1.00 32.28 WAT1 ATOM 149 OH2 TIP3 1156 13.239 30.567 37.369 1.00 32.59 WAT1 ATOM 150 OH2 TIP3 1163 25.198 48.852 25.929 1.00 35.65 WAT1 ATOM 151 OH2 TIP3 1169 -1.604 37.606 39.851 1.00 30.75 WAT1 ATOM 152 OH2 TIP3 1175 6.856 45.393 60.492 1.00 25.68 WAT1 ATOM 153 OH2 TIP3 1183 -19.560 63.649 61.237 1.00 34.94 WAT1 ATOM 154 OH2 TIP3 1192 29.057 55.582 55.197 1.00 28.53 WAT1 ATOM 155 OH2 TIP3 1203 4.043 46.464 40.455 1.00 36.81 WAT1 ATOM 156 OH2 TIP3 1211 11.110 39.433 47.872 1.00 25.52 WAT1 ATOM 157 OH2 TIP3 1231 1.716 67.806 51.445 1.00 35.67 WAT1 ATOM 158 OH2 TIP3 1237 8.346 41.795 40.626 1.00 30.61 WAT1 ATOM 159 OH2 TIP3 1257 26.522 56.816 59.189 1.00 33.96 WAT1 ATOM 160 OH2 TIP3 1271 10.123 47.298 58.664 1.00 31.57 WAT1 ATOM 161 OH2 TIP3 1273 9.613 69.093 45.774 1.00 31.36 WAT1 END