USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 477 HIS : no HE2:sc= -0.0901 X(o=-0.089,f=-0.055) USER MOD Set 1.2: A 489 THR OG1 : rot 120:sc= 0.00109 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 504 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 507 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.26) USER MOD Single : A 512 LYS NZ :NH3+ -134:sc= 0.192 (180deg=-0.326) USER MOD Single : A 519 GLN : amide:sc= 0.865 K(o=0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.176 6.797 1.025 1.00 0.00 N ATOM 244 CA PHE A 472 -0.237 5.399 1.015 1.00 0.00 C ATOM 245 C PHE A 472 -1.500 5.199 1.847 1.00 0.00 C ATOM 246 O PHE A 472 -1.442 5.107 3.074 1.00 0.00 O ATOM 247 CB PHE A 472 0.887 4.510 1.551 1.00 0.00 C ATOM 248 CG PHE A 472 2.234 4.831 0.972 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.377 5.088 -0.383 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.358 4.877 1.780 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.616 5.385 -0.919 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.599 5.173 1.249 1.00 0.00 C ATOM 253 CZ PHE A 472 4.728 5.427 -0.102 1.00 0.00 C ATOM 0 HA PHE A 472 -0.454 5.117 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.933 4.611 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.648 3.468 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.511 5.056 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.263 4.679 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.714 5.584 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.467 5.206 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.697 5.658 -0.519 1.00 0.00 H new ATOM 263 N LYS A 473 -2.643 5.133 1.172 1.00 0.00 N ATOM 264 CA LYS A 473 -3.921 4.944 1.846 1.00 0.00 C ATOM 265 C LYS A 473 -4.519 3.582 1.507 1.00 0.00 C ATOM 266 O LYS A 473 -4.155 2.967 0.505 1.00 0.00 O ATOM 267 CB LYS A 473 -4.899 6.054 1.452 1.00 0.00 C ATOM 268 CG LYS A 473 -5.148 6.142 -0.044 1.00 0.00 C ATOM 269 CD LYS A 473 -5.896 7.412 -0.410 1.00 0.00 C ATOM 270 CE LYS A 473 -7.341 7.365 0.062 1.00 0.00 C ATOM 271 NZ LYS A 473 -8.213 6.626 -0.892 1.00 0.00 N ATOM 0 H LYS A 473 -2.709 5.208 0.157 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.746 4.987 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.849 5.888 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.512 7.010 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.196 6.113 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -5.721 5.274 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.395 8.272 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.870 7.552 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.388 6.888 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.716 8.381 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -9.189 6.617 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.189 7.096 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -7.871 5.649 -0.990 1.00 0.00 H new ATOM 285 N MET A 474 -5.438 3.118 2.347 1.00 0.00 N ATOM 286 CA MET A 474 -6.087 1.829 2.134 1.00 0.00 C ATOM 287 C MET A 474 -6.825 1.807 0.799 1.00 0.00 C ATOM 288 O MET A 474 -7.651 2.675 0.521 1.00 0.00 O ATOM 289 CB MET A 474 -7.062 1.531 3.274 1.00 0.00 C ATOM 290 CG MET A 474 -7.533 0.086 3.307 1.00 0.00 C ATOM 291 SD MET A 474 -8.972 -0.151 4.368 1.00 0.00 S ATOM 292 CE MET A 474 -10.062 -1.048 3.266 1.00 0.00 C ATOM 0 H MET A 474 -5.750 3.615 3.181 1.00 0.00 H new ATOM 0 HA MET A 474 -5.315 1.060 2.115 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.583 1.770 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.929 2.185 3.181 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.776 -0.236 2.294 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.720 -0.549 3.657 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.998 -1.268 3.780 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.267 -0.442 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.586 -1.981 2.963 1.00 0.00 H new ATOM 302 N GLY A 475 -6.520 0.808 -0.024 1.00 0.00 N ATOM 303 CA GLY A 475 -7.163 0.693 -1.320 1.00 0.00 C ATOM 304 C GLY A 475 -6.198 0.912 -2.468 1.00 0.00 C ATOM 305 O GLY A 475 -6.292 0.250 -3.502 1.00 0.00 O ATOM 0 H GLY A 475 -5.840 0.077 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.614 -0.295 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -7.972 1.420 -1.386 1.00 0.00 H new ATOM 309 N ASP A 476 -5.268 1.844 -2.288 1.00 0.00 N ATOM 310 CA ASP A 476 -4.282 2.149 -3.317 1.00 0.00 C ATOM 311 C ASP A 476 -3.213 1.063 -3.385 1.00 0.00 C ATOM 312 O ASP A 476 -3.028 0.299 -2.436 1.00 0.00 O ATOM 313 CB ASP A 476 -3.631 3.506 -3.044 1.00 0.00 C ATOM 314 CG ASP A 476 -4.514 4.666 -3.460 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.487 4.432 -4.206 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.231 5.808 -3.041 1.00 0.00 O ATOM 0 H ASP A 476 -5.177 2.401 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.796 2.188 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.403 3.589 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.683 3.565 -3.579 1.00 0.00 H new ATOM 321 N HIS A 477 -2.512 0.999 -4.513 1.00 0.00 N ATOM 322 CA HIS A 477 -1.461 0.005 -4.704 1.00 0.00 C ATOM 323 C HIS A 477 -0.084 0.618 -4.467 1.00 0.00 C ATOM 324 O HIS A 477 0.238 1.675 -5.009 1.00 0.00 O ATOM 325 CB HIS A 477 -1.536 -0.581 -6.115 1.00 0.00 C ATOM 326 CG HIS A 477 -0.331 -1.386 -6.493 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.560 -0.994 -7.470 1.00 0.00 N ATOM 328 CD2 HIS A 477 0.130 -2.566 -6.018 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.515 -1.900 -7.581 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.278 -2.864 -6.710 1.00 0.00 N ATOM 0 H HIS A 477 -2.652 1.623 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.613 -0.794 -3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.422 -1.211 -6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.659 0.231 -6.831 1.00 0.00 H new ATOM 0 HD1 HIS A 477 0.492 -0.138 -8.021 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.321 -3.163 -5.239 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.348 -1.859 -8.267 1.00 0.00 H new ATOM 338 N VAL A 478 0.724 -0.053 -3.652 1.00 0.00 N ATOM 339 CA VAL A 478 2.066 0.425 -3.343 1.00 0.00 C ATOM 340 C VAL A 478 3.118 -0.616 -3.710 1.00 0.00 C ATOM 341 O VAL A 478 2.843 -1.816 -3.722 1.00 0.00 O ATOM 342 CB VAL A 478 2.207 0.777 -1.850 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.284 1.930 -1.485 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.919 -0.441 -0.987 1.00 0.00 C ATOM 0 H VAL A 478 0.472 -0.929 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 478 2.226 1.325 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 478 3.234 1.091 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.397 2.165 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.542 2.805 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.251 1.647 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.023 -0.175 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.903 -0.788 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.624 -1.235 -1.232 1.00 0.00 H new ATOM 354 N LYS A 479 4.326 -0.149 -4.007 1.00 0.00 N ATOM 355 CA LYS A 479 5.422 -1.038 -4.373 1.00 0.00 C ATOM 356 C LYS A 479 6.596 -0.877 -3.413 1.00 0.00 C ATOM 357 O LYS A 479 6.949 0.238 -3.028 1.00 0.00 O ATOM 358 CB LYS A 479 5.879 -0.756 -5.806 1.00 0.00 C ATOM 359 CG LYS A 479 7.341 -1.087 -6.055 1.00 0.00 C ATOM 360 CD LYS A 479 7.604 -1.381 -7.522 1.00 0.00 C ATOM 361 CE LYS A 479 9.094 -1.444 -7.819 1.00 0.00 C ATOM 362 NZ LYS A 479 9.363 -1.588 -9.277 1.00 0.00 N ATOM 0 H LYS A 479 4.571 0.841 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 479 5.061 -2.064 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.262 -1.333 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.710 0.297 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.964 -0.253 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.627 -1.949 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.137 -2.328 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.141 -0.609 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.577 -0.540 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.536 -2.284 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.390 -1.627 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.924 -2.464 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.964 -0.774 -9.786 1.00 0.00 H new ATOM 376 N VAL A 480 7.200 -1.998 -3.030 1.00 0.00 N ATOM 377 CA VAL A 480 8.336 -1.981 -2.117 1.00 0.00 C ATOM 378 C VAL A 480 9.654 -1.909 -2.880 1.00 0.00 C ATOM 379 O VAL A 480 9.953 -2.774 -3.704 1.00 0.00 O ATOM 380 CB VAL A 480 8.348 -3.227 -1.212 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.343 -3.053 -0.075 1.00 0.00 C ATOM 382 CG2 VAL A 480 6.953 -3.506 -0.671 1.00 0.00 C ATOM 0 H VAL A 480 6.921 -2.929 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 480 8.229 -1.091 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 480 8.661 -4.084 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.337 -3.944 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.342 -2.905 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.064 -2.185 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 480 6.980 -4.390 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.610 -2.650 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.268 -3.678 -1.502 1.00 0.00 H new ATOM 392 N ILE A 481 10.437 -0.873 -2.601 1.00 0.00 N ATOM 393 CA ILE A 481 11.724 -0.690 -3.260 1.00 0.00 C ATOM 394 C ILE A 481 12.877 -1.014 -2.316 1.00 0.00 C ATOM 395 O ILE A 481 13.981 -1.333 -2.755 1.00 0.00 O ATOM 396 CB ILE A 481 11.890 0.751 -3.780 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.904 1.739 -2.612 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.775 1.093 -4.757 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.283 3.146 -3.015 1.00 0.00 C ATOM 0 H ILE A 481 10.203 -0.148 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 481 11.746 -1.378 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 481 12.842 0.825 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.917 1.756 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.605 1.385 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.906 2.114 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.808 0.405 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.812 1.006 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.272 3.791 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.282 3.143 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.568 3.519 -3.749 1.00 0.00 H new ATOM 411 N ALA A 482 12.612 -0.931 -1.017 1.00 0.00 N ATOM 412 CA ALA A 482 13.626 -1.219 -0.010 1.00 0.00 C ATOM 413 C ALA A 482 13.012 -1.901 1.208 1.00 0.00 C ATOM 414 O ALA A 482 11.792 -2.018 1.317 1.00 0.00 O ATOM 415 CB ALA A 482 14.338 0.060 0.403 1.00 0.00 C ATOM 0 H ALA A 482 11.703 -0.667 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 482 14.354 -1.902 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.092 -0.170 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.818 0.506 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.614 0.762 0.818 1.00 0.00 H new ATOM 421 N GLY A 483 13.866 -2.351 2.122 1.00 0.00 N ATOM 422 CA GLY A 483 13.389 -3.017 3.320 1.00 0.00 C ATOM 423 C GLY A 483 13.555 -4.522 3.252 1.00 0.00 C ATOM 424 O GLY A 483 14.396 -5.028 2.507 1.00 0.00 O ATOM 0 H GLY A 483 14.880 -2.266 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.930 -2.634 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.336 -2.777 3.471 1.00 0.00 H new ATOM 428 N ARG A 484 12.755 -5.241 4.032 1.00 0.00 N ATOM 429 CA ARG A 484 12.820 -6.697 4.060 1.00 0.00 C ATOM 430 C ARG A 484 12.009 -7.299 2.915 1.00 0.00 C ATOM 431 O ARG A 484 12.216 -8.451 2.534 1.00 0.00 O ATOM 432 CB ARG A 484 12.303 -7.227 5.399 1.00 0.00 C ATOM 433 CG ARG A 484 13.281 -7.038 6.547 1.00 0.00 C ATOM 434 CD ARG A 484 14.457 -7.996 6.440 1.00 0.00 C ATOM 435 NE ARG A 484 15.087 -8.235 7.736 1.00 0.00 N ATOM 436 CZ ARG A 484 16.018 -7.443 8.257 1.00 0.00 C ATOM 437 NH1 ARG A 484 16.424 -6.367 7.597 1.00 0.00 N ATOM 438 NH2 ARG A 484 16.545 -7.727 9.441 1.00 0.00 N ATOM 0 H ARG A 484 12.054 -4.839 4.654 1.00 0.00 H new ATOM 0 HA ARG A 484 13.862 -6.992 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 484 11.368 -6.723 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 484 12.076 -8.288 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 484 13.646 -6.011 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 484 12.766 -7.196 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 484 14.116 -8.943 6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 484 15.194 -7.589 5.748 1.00 0.00 H new ATOM 0 HE ARG A 484 14.797 -9.054 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 484 16.021 -6.145 6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 484 17.139 -5.761 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 484 16.236 -8.554 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 484 17.260 -7.119 9.840 1.00 0.00 H new ATOM 452 N PHE A 485 11.087 -6.512 2.372 1.00 0.00 N ATOM 453 CA PHE A 485 10.244 -6.967 1.273 1.00 0.00 C ATOM 454 C PHE A 485 10.561 -6.202 -0.009 1.00 0.00 C ATOM 455 O PHE A 485 9.659 -5.794 -0.739 1.00 0.00 O ATOM 456 CB PHE A 485 8.766 -6.796 1.630 1.00 0.00 C ATOM 457 CG PHE A 485 8.420 -7.293 3.005 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.590 -6.479 4.113 1.00 0.00 C ATOM 459 CD2 PHE A 485 7.925 -8.574 3.188 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.272 -6.933 5.379 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.605 -9.033 4.452 1.00 0.00 C ATOM 462 CZ PHE A 485 7.780 -8.212 5.549 1.00 0.00 C ATOM 0 H PHE A 485 10.904 -5.555 2.675 1.00 0.00 H new ATOM 0 HA PHE A 485 10.450 -8.024 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.502 -5.741 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.159 -7.328 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 485 8.975 -5.478 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.788 -9.221 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.408 -6.288 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.218 -10.033 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.533 -8.570 6.538 1.00 0.00 H new ATOM 472 N GLU A 486 11.850 -6.012 -0.274 1.00 0.00 N ATOM 473 CA GLU A 486 12.286 -5.295 -1.466 1.00 0.00 C ATOM 474 C GLU A 486 11.823 -6.011 -2.731 1.00 0.00 C ATOM 475 O GLU A 486 11.874 -7.237 -2.818 1.00 0.00 O ATOM 476 CB GLU A 486 13.810 -5.154 -1.475 1.00 0.00 C ATOM 477 CG GLU A 486 14.346 -4.413 -2.688 1.00 0.00 C ATOM 478 CD GLU A 486 14.631 -5.336 -3.857 1.00 0.00 C ATOM 479 OE1 GLU A 486 15.113 -6.463 -3.618 1.00 0.00 O ATOM 480 OE2 GLU A 486 14.372 -4.931 -5.009 1.00 0.00 O ATOM 0 H GLU A 486 12.609 -6.344 0.320 1.00 0.00 H new ATOM 0 HA GLU A 486 11.837 -4.302 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.123 -4.630 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.258 -6.147 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.624 -3.656 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 486 15.261 -3.888 -2.413 1.00 0.00 H new ATOM 487 N GLY A 487 11.371 -5.235 -3.712 1.00 0.00 N ATOM 488 CA GLY A 487 10.905 -5.812 -4.959 1.00 0.00 C ATOM 489 C GLY A 487 9.478 -6.315 -4.868 1.00 0.00 C ATOM 490 O GLY A 487 8.832 -6.560 -5.888 1.00 0.00 O ATOM 0 H GLY A 487 11.319 -4.217 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.974 -5.065 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.560 -6.636 -5.242 1.00 0.00 H new ATOM 494 N ASP A 488 8.984 -6.471 -3.645 1.00 0.00 N ATOM 495 CA ASP A 488 7.624 -6.948 -3.424 1.00 0.00 C ATOM 496 C ASP A 488 6.628 -5.794 -3.475 1.00 0.00 C ATOM 497 O ASP A 488 6.955 -4.660 -3.124 1.00 0.00 O ATOM 498 CB ASP A 488 7.525 -7.665 -2.076 1.00 0.00 C ATOM 499 CG ASP A 488 8.295 -8.970 -2.057 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.472 -8.972 -2.476 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.722 -9.990 -1.620 1.00 0.00 O ATOM 0 H ASP A 488 9.505 -6.274 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 488 7.378 -7.651 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.905 -7.011 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.477 -7.861 -1.848 1.00 0.00 H new ATOM 506 N THR A 489 5.409 -6.090 -3.917 1.00 0.00 N ATOM 507 CA THR A 489 4.366 -5.078 -4.016 1.00 0.00 C ATOM 508 C THR A 489 3.012 -5.642 -3.601 1.00 0.00 C ATOM 509 O THR A 489 2.804 -6.854 -3.609 1.00 0.00 O ATOM 510 CB THR A 489 4.259 -4.520 -5.448 1.00 0.00 C ATOM 511 OG1 THR A 489 3.497 -5.414 -6.267 1.00 0.00 O ATOM 512 CG2 THR A 489 5.640 -4.321 -6.055 1.00 0.00 C ATOM 0 H THR A 489 5.121 -7.023 -4.212 1.00 0.00 H new ATOM 0 HA THR A 489 4.644 -4.270 -3.339 1.00 0.00 H new ATOM 0 HB THR A 489 3.757 -3.554 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 489 2.706 -4.949 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.540 -3.926 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 489 6.207 -3.618 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.164 -5.276 -6.089 1.00 0.00 H new ATOM 520 N GLY A 490 2.092 -4.752 -3.238 1.00 0.00 N ATOM 521 CA GLY A 490 0.768 -5.181 -2.825 1.00 0.00 C ATOM 522 C GLY A 490 -0.183 -4.017 -2.627 1.00 0.00 C ATOM 523 O GLY A 490 0.128 -2.883 -2.993 1.00 0.00 O ATOM 0 H GLY A 490 2.240 -3.743 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.358 -5.857 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.846 -5.745 -1.895 1.00 0.00 H new ATOM 527 N LEU A 491 -1.346 -4.297 -2.049 1.00 0.00 N ATOM 528 CA LEU A 491 -2.347 -3.265 -1.805 1.00 0.00 C ATOM 529 C LEU A 491 -2.338 -2.833 -0.342 1.00 0.00 C ATOM 530 O LEU A 491 -1.846 -3.555 0.525 1.00 0.00 O ATOM 531 CB LEU A 491 -3.737 -3.773 -2.191 1.00 0.00 C ATOM 532 CG LEU A 491 -4.154 -3.549 -3.644 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.354 -4.416 -3.995 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.465 -2.080 -3.890 1.00 0.00 C ATOM 0 H LEU A 491 -1.619 -5.230 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.100 -2.401 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.782 -4.842 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.470 -3.290 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.323 -3.836 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.637 -4.243 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.096 -5.466 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.190 -4.161 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.760 -1.940 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.279 -1.766 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.579 -1.480 -3.680 1.00 0.00 H new ATOM 546 N ILE A 492 -2.888 -1.653 -0.076 1.00 0.00 N ATOM 547 CA ILE A 492 -2.946 -1.127 1.282 1.00 0.00 C ATOM 548 C ILE A 492 -4.247 -1.525 1.970 1.00 0.00 C ATOM 549 O ILE A 492 -5.327 -1.070 1.592 1.00 0.00 O ATOM 550 CB ILE A 492 -2.819 0.408 1.298 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.647 0.853 0.420 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.642 0.911 2.723 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.633 2.340 0.140 1.00 0.00 C ATOM 0 H ILE A 492 -3.300 -1.043 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.104 -1.558 1.823 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.735 0.838 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.712 0.574 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.687 0.314 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.554 1.997 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.505 0.620 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.740 0.476 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.776 2.584 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.551 2.622 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.562 2.887 1.080 1.00 0.00 H new ATOM 565 N VAL A 493 -4.138 -2.376 2.985 1.00 0.00 N ATOM 566 CA VAL A 493 -5.305 -2.834 3.729 1.00 0.00 C ATOM 567 C VAL A 493 -5.410 -2.128 5.076 1.00 0.00 C ATOM 568 O VAL A 493 -6.507 -1.908 5.589 1.00 0.00 O ATOM 569 CB VAL A 493 -5.261 -4.356 3.962 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.700 -5.101 2.711 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.866 -4.789 4.389 1.00 0.00 C ATOM 0 H VAL A 493 -3.252 -2.763 3.311 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.180 -2.591 3.125 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.955 -4.603 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.662 -6.175 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.719 -4.812 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -5.033 -4.851 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.853 -5.867 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.150 -4.529 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.595 -4.281 5.315 1.00 0.00 H new ATOM 581 N ARG A 494 -4.262 -1.773 5.643 1.00 0.00 N ATOM 582 CA ARG A 494 -4.224 -1.091 6.931 1.00 0.00 C ATOM 583 C ARG A 494 -2.964 -0.240 7.059 1.00 0.00 C ATOM 584 O ARG A 494 -1.858 -0.704 6.782 1.00 0.00 O ATOM 585 CB ARG A 494 -4.284 -2.108 8.072 1.00 0.00 C ATOM 586 CG ARG A 494 -4.443 -1.475 9.445 1.00 0.00 C ATOM 587 CD ARG A 494 -4.489 -2.527 10.542 1.00 0.00 C ATOM 588 NE ARG A 494 -3.152 -2.905 10.994 1.00 0.00 N ATOM 589 CZ ARG A 494 -2.926 -3.786 11.962 1.00 0.00 C ATOM 590 NH1 ARG A 494 -3.942 -4.378 12.576 1.00 0.00 N ATOM 591 NH2 ARG A 494 -1.681 -4.078 12.318 1.00 0.00 N ATOM 0 H ARG A 494 -3.345 -1.946 5.231 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.092 -0.435 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -5.117 -2.789 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.374 -2.708 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.614 -0.791 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.357 -0.882 9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -5.063 -2.145 11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -5.011 -3.411 10.175 1.00 0.00 H new ATOM 0 HE ARG A 494 -2.349 -2.469 10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -4.900 -4.157 12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -3.765 -5.054 13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -0.897 -3.626 11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -1.509 -4.755 13.061 1.00 0.00 H new ATOM 605 N VAL A 495 -3.140 1.008 7.481 1.00 0.00 N ATOM 606 CA VAL A 495 -2.018 1.925 7.646 1.00 0.00 C ATOM 607 C VAL A 495 -1.882 2.370 9.098 1.00 0.00 C ATOM 608 O VAL A 495 -2.865 2.420 9.837 1.00 0.00 O ATOM 609 CB VAL A 495 -2.173 3.169 6.752 1.00 0.00 C ATOM 610 CG1 VAL A 495 -0.942 4.057 6.854 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.426 2.759 5.309 1.00 0.00 C ATOM 0 H VAL A 495 -4.049 1.407 7.715 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.120 1.383 7.349 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.033 3.740 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.070 4.931 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.810 4.379 7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.063 3.498 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -2.533 3.650 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.587 2.165 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.340 2.167 5.254 1.00 0.00 H new ATOM 621 N GLU A 496 -0.656 2.692 9.500 1.00 0.00 N ATOM 622 CA GLU A 496 -0.392 3.133 10.864 1.00 0.00 C ATOM 623 C GLU A 496 0.578 4.311 10.877 1.00 0.00 C ATOM 624 O GLU A 496 1.336 4.514 9.929 1.00 0.00 O ATOM 625 CB GLU A 496 0.178 1.981 11.695 1.00 0.00 C ATOM 626 CG GLU A 496 -0.782 0.814 11.855 1.00 0.00 C ATOM 627 CD GLU A 496 -1.854 1.078 12.895 1.00 0.00 C ATOM 628 OE1 GLU A 496 -2.628 2.042 12.718 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.918 0.321 13.886 1.00 0.00 O ATOM 0 H GLU A 496 0.169 2.656 8.901 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.336 3.456 11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.095 1.625 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.449 2.355 12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.256 0.604 10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.221 -0.077 12.135 1.00 0.00 H new ATOM 636 N GLU A 497 0.546 5.085 11.958 1.00 0.00 N ATOM 637 CA GLU A 497 1.421 6.243 12.093 1.00 0.00 C ATOM 638 C GLU A 497 2.888 5.825 12.053 1.00 0.00 C ATOM 639 O GLU A 497 3.774 6.650 11.835 1.00 0.00 O ATOM 640 CB GLU A 497 1.126 6.983 13.400 1.00 0.00 C ATOM 641 CG GLU A 497 -0.289 7.529 13.484 1.00 0.00 C ATOM 642 CD GLU A 497 -0.657 7.984 14.883 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.116 9.017 15.331 1.00 0.00 O ATOM 644 OE2 GLU A 497 -1.484 7.308 15.529 1.00 0.00 O ATOM 0 H GLU A 497 -0.076 4.931 12.752 1.00 0.00 H new ATOM 0 HA GLU A 497 1.229 6.911 11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 497 1.295 6.306 14.237 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.831 7.807 13.508 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -0.393 8.367 12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -0.991 6.761 13.160 1.00 0.00 H new ATOM 651 N ASN A 498 3.136 4.537 12.266 1.00 0.00 N ATOM 652 CA ASN A 498 4.495 4.008 12.255 1.00 0.00 C ATOM 653 C ASN A 498 4.816 3.358 10.912 1.00 0.00 C ATOM 654 O ASN A 498 5.663 3.843 10.162 1.00 0.00 O ATOM 655 CB ASN A 498 4.678 2.991 13.383 1.00 0.00 C ATOM 656 CG ASN A 498 4.059 3.456 14.687 1.00 0.00 C ATOM 657 OD1 ASN A 498 2.879 3.220 14.946 1.00 0.00 O ATOM 658 ND2 ASN A 498 4.856 4.123 15.515 1.00 0.00 N ATOM 0 H ASN A 498 2.414 3.840 12.448 1.00 0.00 H new ATOM 0 HA ASN A 498 5.183 4.840 12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 498 4.229 2.042 13.089 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.742 2.808 13.534 1.00 0.00 H new ATOM 0 HD21 ASN A 498 4.496 4.462 16.407 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.828 4.296 15.259 1.00 0.00 H new ATOM 665 N PHE A 499 4.132 2.257 10.616 1.00 0.00 N ATOM 666 CA PHE A 499 4.343 1.540 9.364 1.00 0.00 C ATOM 667 C PHE A 499 3.022 1.322 8.632 1.00 0.00 C ATOM 668 O PHE A 499 1.952 1.645 9.149 1.00 0.00 O ATOM 669 CB PHE A 499 5.019 0.194 9.631 1.00 0.00 C ATOM 670 CG PHE A 499 4.677 -0.394 10.971 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.534 -1.159 11.134 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.499 -0.182 12.065 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.216 -1.700 12.366 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.187 -0.721 13.300 1.00 0.00 C ATOM 675 CZ PHE A 499 4.044 -1.482 13.449 1.00 0.00 C ATOM 0 H PHE A 499 3.427 1.842 11.226 1.00 0.00 H new ATOM 0 HA PHE A 499 4.992 2.146 8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.730 -0.510 8.850 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.100 0.320 9.563 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.884 -1.335 10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.394 0.411 11.953 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.321 -2.293 12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.836 -0.547 14.146 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.798 -1.906 14.411 1.00 0.00 H new ATOM 685 N VAL A 500 3.105 0.772 7.425 1.00 0.00 N ATOM 686 CA VAL A 500 1.917 0.510 6.622 1.00 0.00 C ATOM 687 C VAL A 500 1.782 -0.977 6.309 1.00 0.00 C ATOM 688 O VAL A 500 2.717 -1.603 5.809 1.00 0.00 O ATOM 689 CB VAL A 500 1.948 1.300 5.300 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.633 1.141 4.552 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.245 2.768 5.565 1.00 0.00 C ATOM 0 H VAL A 500 3.982 0.499 6.982 1.00 0.00 H new ATOM 0 HA VAL A 500 1.059 0.834 7.211 1.00 0.00 H new ATOM 0 HB VAL A 500 2.745 0.898 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.674 1.706 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.466 0.087 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.184 1.516 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.263 3.312 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.471 3.185 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.214 2.860 6.056 1.00 0.00 H new ATOM 701 N ILE A 501 0.613 -1.534 6.606 1.00 0.00 N ATOM 702 CA ILE A 501 0.355 -2.947 6.355 1.00 0.00 C ATOM 703 C ILE A 501 -0.280 -3.154 4.984 1.00 0.00 C ATOM 704 O ILE A 501 -1.445 -2.817 4.770 1.00 0.00 O ATOM 705 CB ILE A 501 -0.565 -3.551 7.432 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.099 -3.130 8.827 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.595 -5.067 7.313 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.219 -3.748 9.236 1.00 0.00 C ATOM 0 H ILE A 501 -0.170 -1.029 7.021 1.00 0.00 H new ATOM 0 HA ILE A 501 1.319 -3.455 6.387 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.576 -3.174 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.007 -2.044 8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.862 -3.406 9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.249 -5.479 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.969 -5.347 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.412 -5.462 7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.487 -3.405 10.235 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.127 -4.834 9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.995 -3.451 8.530 1.00 0.00 H new ATOM 720 N LEU A 502 0.493 -3.714 4.060 1.00 0.00 N ATOM 721 CA LEU A 502 0.006 -3.969 2.708 1.00 0.00 C ATOM 722 C LEU A 502 -0.166 -5.465 2.465 1.00 0.00 C ATOM 723 O LEU A 502 0.642 -6.275 2.919 1.00 0.00 O ATOM 724 CB LEU A 502 0.971 -3.381 1.678 1.00 0.00 C ATOM 725 CG LEU A 502 2.222 -4.208 1.381 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.851 -3.772 0.067 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.224 -4.087 2.520 1.00 0.00 C ATOM 0 H LEU A 502 1.459 -4.000 4.222 1.00 0.00 H new ATOM 0 HA LEU A 502 -0.966 -3.488 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.428 -3.232 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.285 -2.396 2.024 1.00 0.00 H new ATOM 0 HG LEU A 502 1.929 -5.254 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.740 -4.372 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.135 -3.911 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 502 3.129 -2.720 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.108 -4.682 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.511 -3.043 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.771 -4.449 3.443 1.00 0.00 H new ATOM 739 N PHE A 503 -1.223 -5.825 1.745 1.00 0.00 N ATOM 740 CA PHE A 503 -1.500 -7.224 1.440 1.00 0.00 C ATOM 741 C PHE A 503 -0.758 -7.663 0.181 1.00 0.00 C ATOM 742 O PHE A 503 -0.741 -6.951 -0.823 1.00 0.00 O ATOM 743 CB PHE A 503 -3.004 -7.440 1.260 1.00 0.00 C ATOM 744 CG PHE A 503 -3.387 -8.883 1.097 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.389 -9.476 -0.155 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.746 -9.646 2.197 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.740 -10.804 -0.308 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.098 -10.975 2.050 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.096 -11.554 0.796 1.00 0.00 C ATOM 0 H PHE A 503 -1.902 -5.167 1.362 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.150 -7.829 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.528 -7.029 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.341 -6.882 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.113 -8.894 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.751 -9.198 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.736 -11.255 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.374 -11.560 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.372 -12.591 0.679 1.00 0.00 H new ATOM 759 N SER A 504 -0.146 -8.841 0.244 1.00 0.00 N ATOM 760 CA SER A 504 0.602 -9.375 -0.889 1.00 0.00 C ATOM 761 C SER A 504 -0.290 -10.247 -1.766 1.00 0.00 C ATOM 762 O SER A 504 -1.150 -10.974 -1.268 1.00 0.00 O ATOM 763 CB SER A 504 1.803 -10.186 -0.397 1.00 0.00 C ATOM 764 OG SER A 504 2.841 -10.197 -1.362 1.00 0.00 O ATOM 0 H SER A 504 -0.153 -9.444 1.067 1.00 0.00 H new ATOM 0 HA SER A 504 0.959 -8.536 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.174 -9.762 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.492 -11.208 -0.181 1.00 0.00 H new ATOM 0 HG SER A 504 3.597 -10.720 -1.023 1.00 0.00 H new ATOM 770 N ASP A 505 -0.078 -10.170 -3.076 1.00 0.00 N ATOM 771 CA ASP A 505 -0.862 -10.952 -4.025 1.00 0.00 C ATOM 772 C ASP A 505 -0.187 -12.289 -4.314 1.00 0.00 C ATOM 773 O ASP A 505 -0.741 -13.137 -5.016 1.00 0.00 O ATOM 774 CB ASP A 505 -1.054 -10.172 -5.326 1.00 0.00 C ATOM 775 CG ASP A 505 -1.480 -8.737 -5.083 1.00 0.00 C ATOM 776 OD1 ASP A 505 -0.595 -7.888 -4.844 1.00 0.00 O ATOM 777 OD2 ASP A 505 -2.697 -8.463 -5.132 1.00 0.00 O ATOM 0 H ASP A 505 0.630 -9.574 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.838 -11.146 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -0.123 -10.181 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.804 -10.672 -5.939 1.00 0.00 H new ATOM 782 N LEU A 506 1.011 -12.472 -3.770 1.00 0.00 N ATOM 783 CA LEU A 506 1.762 -13.706 -3.970 1.00 0.00 C ATOM 784 C LEU A 506 1.446 -14.720 -2.875 1.00 0.00 C ATOM 785 O LEU A 506 0.741 -15.702 -3.108 1.00 0.00 O ATOM 786 CB LEU A 506 3.264 -13.414 -3.993 1.00 0.00 C ATOM 787 CG LEU A 506 3.801 -12.758 -5.266 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.181 -12.168 -5.020 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.845 -13.765 -6.406 1.00 0.00 C ATOM 0 H LEU A 506 1.483 -11.781 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 506 1.466 -14.131 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.501 -12.768 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.798 -14.351 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 506 3.127 -11.949 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.548 -11.705 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.120 -11.416 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.866 -12.959 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 506 4.229 -13.281 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.497 -14.595 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.840 -14.141 -6.598 1.00 0.00 H new ATOM 801 N THR A 507 1.971 -14.474 -1.679 1.00 0.00 N ATOM 802 CA THR A 507 1.744 -15.364 -0.547 1.00 0.00 C ATOM 803 C THR A 507 0.406 -15.073 0.122 1.00 0.00 C ATOM 804 O THR A 507 0.096 -15.624 1.178 1.00 0.00 O ATOM 805 CB THR A 507 2.867 -15.239 0.499 1.00 0.00 C ATOM 806 OG1 THR A 507 2.920 -13.900 1.004 1.00 0.00 O ATOM 807 CG2 THR A 507 4.213 -15.612 -0.104 1.00 0.00 C ATOM 0 H THR A 507 2.557 -13.666 -1.469 1.00 0.00 H new ATOM 0 HA THR A 507 1.736 -16.380 -0.941 1.00 0.00 H new ATOM 0 HB THR A 507 2.650 -15.927 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.636 -13.830 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 507 4.990 -15.516 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.179 -16.641 -0.461 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.435 -14.946 -0.938 1.00 0.00 H new ATOM 815 N MET A 508 -0.384 -14.203 -0.499 1.00 0.00 N ATOM 816 CA MET A 508 -1.690 -13.839 0.037 1.00 0.00 C ATOM 817 C MET A 508 -1.611 -13.590 1.540 1.00 0.00 C ATOM 818 O MET A 508 -2.575 -13.826 2.270 1.00 0.00 O ATOM 819 CB MET A 508 -2.710 -14.942 -0.256 1.00 0.00 C ATOM 820 CG MET A 508 -2.914 -15.203 -1.739 1.00 0.00 C ATOM 821 SD MET A 508 -3.997 -13.988 -2.515 1.00 0.00 S ATOM 822 CE MET A 508 -5.510 -14.933 -2.670 1.00 0.00 C ATOM 0 H MET A 508 -0.142 -13.737 -1.374 1.00 0.00 H new ATOM 0 HA MET A 508 -2.011 -12.918 -0.449 1.00 0.00 H new ATOM 0 HB2 MET A 508 -2.384 -15.864 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.666 -14.670 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 508 -1.947 -15.196 -2.242 1.00 0.00 H new ATOM 0 HG3 MET A 508 -3.336 -16.199 -1.874 1.00 0.00 H new ATOM 0 HE1 MET A 508 -6.279 -14.315 -3.135 1.00 0.00 H new ATOM 0 HE2 MET A 508 -5.328 -15.812 -3.288 1.00 0.00 H new ATOM 0 HE3 MET A 508 -5.846 -15.247 -1.682 1.00 0.00 H new ATOM 832 N HIS A 509 -0.458 -13.113 1.996 1.00 0.00 N ATOM 833 CA HIS A 509 -0.254 -12.831 3.413 1.00 0.00 C ATOM 834 C HIS A 509 -0.127 -11.330 3.656 1.00 0.00 C ATOM 835 O HIS A 509 0.180 -10.568 2.740 1.00 0.00 O ATOM 836 CB HIS A 509 0.996 -13.550 3.922 1.00 0.00 C ATOM 837 CG HIS A 509 0.806 -15.024 4.108 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.356 -15.576 4.606 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.637 -16.062 3.859 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.230 -16.890 4.656 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.970 -17.211 4.207 1.00 0.00 N ATOM 0 H HIS A 509 0.350 -12.913 1.406 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.123 -13.197 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.812 -13.383 3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.298 -13.108 4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.639 -15.999 3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -0.981 -17.584 5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.341 -18.158 4.131 1.00 0.00 H new ATOM 849 N GLU A 510 -0.365 -10.914 4.896 1.00 0.00 N ATOM 850 CA GLU A 510 -0.278 -9.504 5.257 1.00 0.00 C ATOM 851 C GLU A 510 1.166 -9.103 5.541 1.00 0.00 C ATOM 852 O GLU A 510 1.796 -9.620 6.465 1.00 0.00 O ATOM 853 CB GLU A 510 -1.150 -9.214 6.481 1.00 0.00 C ATOM 854 CG GLU A 510 -2.619 -9.544 6.275 1.00 0.00 C ATOM 855 CD GLU A 510 -2.916 -11.020 6.455 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.195 -11.681 7.231 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.870 -11.514 5.819 1.00 0.00 O ATOM 0 H GLU A 510 -0.619 -11.532 5.666 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.640 -8.916 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.773 -9.786 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -1.056 -8.160 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -3.219 -8.968 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.920 -9.236 5.274 1.00 0.00 H new ATOM 864 N LEU A 511 1.685 -8.179 4.740 1.00 0.00 N ATOM 865 CA LEU A 511 3.056 -7.707 4.904 1.00 0.00 C ATOM 866 C LEU A 511 3.085 -6.345 5.589 1.00 0.00 C ATOM 867 O LEU A 511 2.130 -5.573 5.502 1.00 0.00 O ATOM 868 CB LEU A 511 3.753 -7.623 3.545 1.00 0.00 C ATOM 869 CG LEU A 511 3.482 -8.777 2.579 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.376 -8.668 1.353 1.00 0.00 C ATOM 871 CD2 LEU A 511 3.688 -10.114 3.274 1.00 0.00 C ATOM 0 H LEU A 511 1.178 -7.742 3.971 1.00 0.00 H new ATOM 0 HA LEU A 511 3.587 -8.421 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.453 -6.693 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.828 -7.562 3.714 1.00 0.00 H new ATOM 0 HG LEU A 511 2.444 -8.716 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.169 -9.498 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.179 -7.726 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.421 -8.703 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 511 3.491 -10.924 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 511 4.716 -10.185 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.005 -10.193 4.120 1.00 0.00 H new ATOM 883 N LYS A 512 4.189 -6.053 6.269 1.00 0.00 N ATOM 884 CA LYS A 512 4.346 -4.782 6.966 1.00 0.00 C ATOM 885 C LYS A 512 5.600 -4.054 6.493 1.00 0.00 C ATOM 886 O LYS A 512 6.703 -4.599 6.543 1.00 0.00 O ATOM 887 CB LYS A 512 4.415 -5.011 8.477 1.00 0.00 C ATOM 888 CG LYS A 512 4.425 -3.727 9.287 1.00 0.00 C ATOM 889 CD LYS A 512 5.840 -3.223 9.516 1.00 0.00 C ATOM 890 CE LYS A 512 6.561 -4.047 10.572 1.00 0.00 C ATOM 891 NZ LYS A 512 5.901 -3.945 11.902 1.00 0.00 N ATOM 0 H LYS A 512 4.989 -6.680 6.352 1.00 0.00 H new ATOM 0 HA LYS A 512 3.479 -4.161 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.563 -5.617 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.313 -5.584 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 512 3.846 -2.964 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.939 -3.898 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.397 -3.262 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.810 -2.178 9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.590 -5.091 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 512 7.594 -3.710 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 6.620 -3.782 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 5.227 -3.153 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 5.393 -4.829 12.106 1.00 0.00 H new ATOM 905 N VAL A 513 5.424 -2.818 6.037 1.00 0.00 N ATOM 906 CA VAL A 513 6.542 -2.013 5.558 1.00 0.00 C ATOM 907 C VAL A 513 6.355 -0.544 5.918 1.00 0.00 C ATOM 908 O VAL A 513 5.238 -0.026 5.902 1.00 0.00 O ATOM 909 CB VAL A 513 6.712 -2.140 4.033 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.059 -1.584 3.597 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.559 -3.590 3.599 1.00 0.00 C ATOM 0 H VAL A 513 4.518 -2.352 5.989 1.00 0.00 H new ATOM 0 HA VAL A 513 7.439 -2.392 6.048 1.00 0.00 H new ATOM 0 HB VAL A 513 5.931 -1.555 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.161 -1.683 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.125 -0.532 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 513 8.858 -2.139 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 513 6.682 -3.661 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.317 -4.199 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.568 -3.950 3.876 1.00 0.00 H new ATOM 921 N LEU A 514 7.457 0.125 6.242 1.00 0.00 N ATOM 922 CA LEU A 514 7.415 1.537 6.605 1.00 0.00 C ATOM 923 C LEU A 514 7.080 2.402 5.394 1.00 0.00 C ATOM 924 O LEU A 514 7.305 2.018 4.245 1.00 0.00 O ATOM 925 CB LEU A 514 8.756 1.970 7.200 1.00 0.00 C ATOM 926 CG LEU A 514 9.044 1.494 8.624 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.481 1.808 9.011 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.074 2.133 9.606 1.00 0.00 C ATOM 0 H LEU A 514 8.390 -0.288 6.261 1.00 0.00 H new ATOM 0 HA LEU A 514 6.632 1.672 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.553 1.609 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.802 3.059 7.186 1.00 0.00 H new ATOM 0 HG LEU A 514 8.907 0.413 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 514 10.668 1.462 10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.161 1.303 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.645 2.884 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.294 1.783 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.179 3.217 9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.053 1.857 9.341 1.00 0.00 H new ATOM 940 N PRO A 515 6.532 3.598 5.653 1.00 0.00 N ATOM 941 CA PRO A 515 6.157 4.543 4.597 1.00 0.00 C ATOM 942 C PRO A 515 7.372 5.142 3.898 1.00 0.00 C ATOM 943 O PRO A 515 7.235 5.951 2.980 1.00 0.00 O ATOM 944 CB PRO A 515 5.384 5.628 5.351 1.00 0.00 C ATOM 945 CG PRO A 515 5.904 5.565 6.745 1.00 0.00 C ATOM 946 CD PRO A 515 6.236 4.120 6.998 1.00 0.00 C ATOM 0 HA PRO A 515 5.582 4.063 3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.551 6.611 4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.310 5.443 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.786 6.194 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.160 5.925 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.090 4.015 7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.402 3.591 7.460 1.00 0.00 H new ATOM 954 N ARG A 516 8.560 4.740 4.337 1.00 0.00 N ATOM 955 CA ARG A 516 9.800 5.239 3.753 1.00 0.00 C ATOM 956 C ARG A 516 10.343 4.261 2.714 1.00 0.00 C ATOM 957 O ARG A 516 11.208 4.611 1.911 1.00 0.00 O ATOM 958 CB ARG A 516 10.845 5.472 4.845 1.00 0.00 C ATOM 959 CG ARG A 516 10.996 4.303 5.804 1.00 0.00 C ATOM 960 CD ARG A 516 12.394 4.248 6.400 1.00 0.00 C ATOM 961 NE ARG A 516 12.548 5.173 7.520 1.00 0.00 N ATOM 962 CZ ARG A 516 13.720 5.471 8.070 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.833 4.921 7.607 1.00 0.00 N ATOM 964 NH2 ARG A 516 13.779 6.322 9.087 1.00 0.00 N ATOM 0 H ARG A 516 8.691 4.070 5.095 1.00 0.00 H new ATOM 0 HA ARG A 516 9.585 6.186 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.808 5.673 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.574 6.363 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.261 4.390 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 516 10.786 3.371 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.605 3.233 6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.127 4.487 5.629 1.00 0.00 H new ATOM 0 HE ARG A 516 11.711 5.614 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.792 4.266 6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.731 5.152 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 516 12.924 6.747 9.446 1.00 0.00 H new ATOM 0 HH22 ARG A 516 14.679 6.551 9.509 1.00 0.00 H new ATOM 978 N ASP A 517 9.829 3.036 2.737 1.00 0.00 N ATOM 979 CA ASP A 517 10.262 2.009 1.797 1.00 0.00 C ATOM 980 C ASP A 517 9.115 1.591 0.882 1.00 0.00 C ATOM 981 O ASP A 517 9.008 0.427 0.495 1.00 0.00 O ATOM 982 CB ASP A 517 10.798 0.791 2.552 1.00 0.00 C ATOM 983 CG ASP A 517 11.574 1.176 3.796 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.665 1.766 3.656 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.089 0.887 4.911 1.00 0.00 O ATOM 0 H ASP A 517 9.113 2.730 3.396 1.00 0.00 H new ATOM 0 HA ASP A 517 11.059 2.427 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.965 0.146 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.442 0.212 1.890 1.00 0.00 H new ATOM 990 N LEU A 518 8.258 2.548 0.542 1.00 0.00 N ATOM 991 CA LEU A 518 7.118 2.279 -0.327 1.00 0.00 C ATOM 992 C LEU A 518 6.988 3.353 -1.403 1.00 0.00 C ATOM 993 O LEU A 518 7.481 4.469 -1.241 1.00 0.00 O ATOM 994 CB LEU A 518 5.830 2.208 0.496 1.00 0.00 C ATOM 995 CG LEU A 518 5.731 1.047 1.486 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.421 1.112 2.255 1.00 0.00 C ATOM 997 CD2 LEU A 518 5.860 -0.285 0.762 1.00 0.00 C ATOM 0 H LEU A 518 8.331 3.516 0.855 1.00 0.00 H new ATOM 0 HA LEU A 518 7.284 1.319 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.724 3.141 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.986 2.147 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 518 6.552 1.132 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.368 0.278 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.368 2.051 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.586 1.053 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 518 5.787 -1.099 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.061 -0.378 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 518 6.825 -0.333 0.257 1.00 0.00 H new ATOM 1009 N GLN A 519 6.320 3.008 -2.499 1.00 0.00 N ATOM 1010 CA GLN A 519 6.124 3.944 -3.600 1.00 0.00 C ATOM 1011 C GLN A 519 4.768 3.728 -4.263 1.00 0.00 C ATOM 1012 O GLN A 519 4.415 2.605 -4.626 1.00 0.00 O ATOM 1013 CB GLN A 519 7.241 3.789 -4.633 1.00 0.00 C ATOM 1014 CG GLN A 519 8.621 4.131 -4.094 1.00 0.00 C ATOM 1015 CD GLN A 519 8.922 5.615 -4.159 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.415 6.117 -5.169 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.626 6.327 -3.078 1.00 0.00 N ATOM 0 H GLN A 519 5.906 2.088 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 519 6.152 4.955 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.247 2.762 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 519 7.025 4.430 -5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.697 3.794 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 519 9.374 3.586 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 519 8.218 5.870 -2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.806 7.331 -3.063 1.00 0.00 H new ATOM 1026 N LEU A 520 4.012 4.809 -4.418 1.00 0.00 N ATOM 1027 CA LEU A 520 2.694 4.738 -5.038 1.00 0.00 C ATOM 1028 C LEU A 520 2.807 4.420 -6.526 1.00 0.00 C ATOM 1029 O LEU A 520 3.820 4.721 -7.159 1.00 0.00 O ATOM 1030 CB LEU A 520 1.945 6.058 -4.843 1.00 0.00 C ATOM 1031 CG LEU A 520 1.089 6.163 -3.580 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.327 7.479 -3.560 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.128 4.987 -3.488 1.00 0.00 C ATOM 0 H LEU A 520 4.289 5.745 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 520 2.136 3.935 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.674 6.868 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.302 6.219 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 520 1.749 6.136 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.277 7.536 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.034 8.309 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.323 7.536 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.473 5.078 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.527 4.983 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.694 4.056 -3.455 1.00 0.00 H new