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 504 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 477 HIS : no HE2:sc= -0.524 X(o=-0.5,f=-0.0063) USER MOD Set 2.2: A 489 THR OG1 : rot 104:sc= 0.0205 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+ -132:sc= -1.11 (180deg=-2.56!) USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=-0.24) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -4.86 X(o=-4.9,f=-4.8) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.219 7.356 1.074 1.00 0.00 N ATOM 244 CA PHE A 472 -0.364 6.036 0.864 1.00 0.00 C ATOM 245 C PHE A 472 -1.562 5.819 1.784 1.00 0.00 C ATOM 246 O PHE A 472 -1.482 6.045 2.992 1.00 0.00 O ATOM 247 CB PHE A 472 0.683 4.948 1.106 1.00 0.00 C ATOM 248 CG PHE A 472 2.035 5.281 0.543 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.161 6.172 -0.511 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.180 4.703 1.067 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.404 6.481 -1.031 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.425 5.009 0.552 1.00 0.00 C ATOM 253 CZ PHE A 472 4.537 5.898 -0.500 1.00 0.00 C ATOM 0 HA PHE A 472 -0.706 5.977 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.777 4.777 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.334 4.015 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.278 6.630 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.098 4.005 1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.489 7.178 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.310 4.554 0.971 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.509 6.136 -0.906 1.00 0.00 H new ATOM 263 N LYS A 473 -2.674 5.378 1.205 1.00 0.00 N ATOM 264 CA LYS A 473 -3.889 5.128 1.970 1.00 0.00 C ATOM 265 C LYS A 473 -4.520 3.798 1.571 1.00 0.00 C ATOM 266 O LYS A 473 -4.341 3.328 0.448 1.00 0.00 O ATOM 267 CB LYS A 473 -4.892 6.264 1.758 1.00 0.00 C ATOM 268 CG LYS A 473 -5.376 6.389 0.324 1.00 0.00 C ATOM 269 CD LYS A 473 -6.630 7.242 0.230 1.00 0.00 C ATOM 270 CE LYS A 473 -6.963 7.586 -1.213 1.00 0.00 C ATOM 271 NZ LYS A 473 -6.125 8.706 -1.724 1.00 0.00 N ATOM 0 H LYS A 473 -2.758 5.186 0.207 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.620 5.080 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.751 6.105 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.432 7.205 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.589 6.829 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -5.579 5.397 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -7.468 6.710 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.491 8.160 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -6.815 6.706 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -8.016 7.857 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -6.383 8.910 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -6.285 9.553 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -5.121 8.438 -1.677 1.00 0.00 H new ATOM 285 N MET A 474 -5.259 3.197 2.498 1.00 0.00 N ATOM 286 CA MET A 474 -5.918 1.922 2.241 1.00 0.00 C ATOM 287 C MET A 474 -6.745 1.986 0.961 1.00 0.00 C ATOM 288 O MET A 474 -7.574 2.879 0.790 1.00 0.00 O ATOM 289 CB MET A 474 -6.812 1.539 3.422 1.00 0.00 C ATOM 290 CG MET A 474 -7.502 0.195 3.250 1.00 0.00 C ATOM 291 SD MET A 474 -9.090 0.117 4.101 1.00 0.00 S ATOM 292 CE MET A 474 -9.716 -1.452 3.505 1.00 0.00 C ATOM 0 H MET A 474 -5.416 3.572 3.433 1.00 0.00 H new ATOM 0 HA MET A 474 -5.147 1.161 2.117 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.210 1.516 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.568 2.312 3.560 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.653 0.002 2.188 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.852 -0.594 3.628 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.696 -1.643 3.943 1.00 0.00 H new ATOM 0 HE2 MET A 474 -9.804 -1.420 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.029 -2.249 3.789 1.00 0.00 H new ATOM 302 N GLY A 475 -6.514 1.033 0.064 1.00 0.00 N ATOM 303 CA GLY A 475 -7.246 1.000 -1.189 1.00 0.00 C ATOM 304 C GLY A 475 -6.365 1.312 -2.383 1.00 0.00 C ATOM 305 O GLY A 475 -6.777 1.134 -3.530 1.00 0.00 O ATOM 0 H GLY A 475 -5.833 0.283 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.694 0.015 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.064 1.719 -1.147 1.00 0.00 H new ATOM 309 N ASP A 476 -5.152 1.780 -2.114 1.00 0.00 N ATOM 310 CA ASP A 476 -4.211 2.119 -3.176 1.00 0.00 C ATOM 311 C ASP A 476 -3.160 1.025 -3.340 1.00 0.00 C ATOM 312 O ASP A 476 -2.993 0.174 -2.466 1.00 0.00 O ATOM 313 CB ASP A 476 -3.531 3.456 -2.877 1.00 0.00 C ATOM 314 CG ASP A 476 -4.369 4.642 -3.312 1.00 0.00 C ATOM 315 OD1 ASP A 476 -4.222 5.079 -4.473 1.00 0.00 O ATOM 316 OD2 ASP A 476 -5.174 5.132 -2.493 1.00 0.00 O ATOM 0 H ASP A 476 -4.797 1.934 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.769 2.205 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.332 3.528 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.567 3.491 -3.384 1.00 0.00 H new ATOM 321 N HIS A 477 -2.454 1.054 -4.466 1.00 0.00 N ATOM 322 CA HIS A 477 -1.419 0.065 -4.744 1.00 0.00 C ATOM 323 C HIS A 477 -0.029 0.656 -4.527 1.00 0.00 C ATOM 324 O HIS A 477 0.239 1.795 -4.910 1.00 0.00 O ATOM 325 CB HIS A 477 -1.548 -0.449 -6.178 1.00 0.00 C ATOM 326 CG HIS A 477 -0.694 -1.646 -6.465 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.187 -1.705 -7.524 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.588 -2.832 -5.823 1.00 0.00 C ATOM 329 CE1 HIS A 477 0.797 -2.877 -7.522 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.345 -3.580 -6.499 1.00 0.00 N ATOM 0 H HIS A 477 -2.580 1.751 -5.200 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.552 -0.768 -4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.590 -0.702 -6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.280 0.352 -6.868 1.00 0.00 H new ATOM 0 HD1 HIS A 477 0.343 -0.960 -8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -1.135 -3.135 -4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.539 -3.205 -8.235 1.00 0.00 H new ATOM 338 N VAL A 478 0.851 -0.125 -3.908 1.00 0.00 N ATOM 339 CA VAL A 478 2.213 0.321 -3.640 1.00 0.00 C ATOM 340 C VAL A 478 3.216 -0.801 -3.883 1.00 0.00 C ATOM 341 O VAL A 478 2.840 -1.961 -4.048 1.00 0.00 O ATOM 342 CB VAL A 478 2.363 0.825 -2.192 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.480 2.040 -1.955 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.034 -0.285 -1.205 1.00 0.00 C ATOM 0 H VAL A 478 0.645 -1.070 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 478 2.419 1.143 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 478 3.399 1.124 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.599 2.382 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.769 2.838 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.438 1.772 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.145 0.089 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.007 -0.617 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.713 -1.123 -1.360 1.00 0.00 H new ATOM 354 N LYS A 479 4.497 -0.447 -3.904 1.00 0.00 N ATOM 355 CA LYS A 479 5.557 -1.423 -4.125 1.00 0.00 C ATOM 356 C LYS A 479 6.704 -1.213 -3.141 1.00 0.00 C ATOM 357 O LYS A 479 6.994 -0.085 -2.742 1.00 0.00 O ATOM 358 CB LYS A 479 6.079 -1.324 -5.560 1.00 0.00 C ATOM 359 CG LYS A 479 7.509 -1.808 -5.722 1.00 0.00 C ATOM 360 CD LYS A 479 7.885 -1.958 -7.187 1.00 0.00 C ATOM 361 CE LYS A 479 9.364 -2.269 -7.354 1.00 0.00 C ATOM 362 NZ LYS A 479 10.215 -1.074 -7.098 1.00 0.00 N ATOM 0 H LYS A 479 4.826 0.509 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 479 5.140 -2.417 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.431 -1.907 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.016 -0.287 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 479 8.189 -1.104 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.630 -2.765 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.292 -2.754 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.643 -1.040 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.646 -3.069 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.546 -2.635 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.909 -0.971 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 9.617 -0.224 -7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 10.715 -1.191 -6.193 1.00 0.00 H new ATOM 376 N VAL A 480 7.353 -2.307 -2.754 1.00 0.00 N ATOM 377 CA VAL A 480 8.470 -2.242 -1.818 1.00 0.00 C ATOM 378 C VAL A 480 9.796 -2.094 -2.555 1.00 0.00 C ATOM 379 O VAL A 480 10.304 -3.052 -3.138 1.00 0.00 O ATOM 380 CB VAL A 480 8.528 -3.496 -0.926 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.682 -3.397 0.060 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.208 -3.692 -0.197 1.00 0.00 C ATOM 0 H VAL A 480 7.125 -3.248 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 480 8.307 -1.366 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 480 8.698 -4.365 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.707 -4.292 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.621 -3.308 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.546 -2.520 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.267 -4.583 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 480 7.005 -2.822 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.405 -3.812 -0.924 1.00 0.00 H new ATOM 392 N ILE A 481 10.352 -0.887 -2.525 1.00 0.00 N ATOM 393 CA ILE A 481 11.620 -0.614 -3.189 1.00 0.00 C ATOM 394 C ILE A 481 12.799 -0.940 -2.278 1.00 0.00 C ATOM 395 O ILE A 481 13.890 -1.261 -2.749 1.00 0.00 O ATOM 396 CB ILE A 481 11.719 0.858 -3.631 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.763 1.778 -2.409 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.547 1.221 -4.531 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.817 3.248 -2.761 1.00 0.00 C ATOM 0 H ILE A 481 9.944 -0.083 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 481 11.658 -1.253 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 481 12.641 0.991 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.883 1.592 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.634 1.525 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.631 2.264 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.556 0.584 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.613 1.075 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.846 3.840 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.711 3.448 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 481 10.933 3.516 -3.339 1.00 0.00 H new ATOM 411 N ALA A 482 12.571 -0.856 -0.972 1.00 0.00 N ATOM 412 CA ALA A 482 13.612 -1.145 0.006 1.00 0.00 C ATOM 413 C ALA A 482 13.062 -1.964 1.168 1.00 0.00 C ATOM 414 O ALA A 482 11.854 -2.174 1.276 1.00 0.00 O ATOM 415 CB ALA A 482 14.232 0.147 0.515 1.00 0.00 C ATOM 0 H ALA A 482 11.674 -0.590 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 482 14.384 -1.736 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.008 -0.085 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.671 0.694 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.463 0.759 0.985 1.00 0.00 H new ATOM 421 N GLY A 483 13.956 -2.426 2.037 1.00 0.00 N ATOM 422 CA GLY A 483 13.540 -3.217 3.180 1.00 0.00 C ATOM 423 C GLY A 483 13.890 -4.684 3.027 1.00 0.00 C ATOM 424 O GLY A 483 14.732 -5.046 2.205 1.00 0.00 O ATOM 0 H GLY A 483 14.961 -2.266 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.013 -2.826 4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.463 -3.116 3.316 1.00 0.00 H new ATOM 428 N ARG A 484 13.243 -5.531 3.822 1.00 0.00 N ATOM 429 CA ARG A 484 13.493 -6.967 3.774 1.00 0.00 C ATOM 430 C ARG A 484 12.566 -7.646 2.770 1.00 0.00 C ATOM 431 O ARG A 484 12.621 -8.861 2.582 1.00 0.00 O ATOM 432 CB ARG A 484 13.303 -7.586 5.160 1.00 0.00 C ATOM 433 CG ARG A 484 14.490 -7.381 6.086 1.00 0.00 C ATOM 434 CD ARG A 484 14.147 -7.747 7.522 1.00 0.00 C ATOM 435 NE ARG A 484 14.268 -9.182 7.764 1.00 0.00 N ATOM 436 CZ ARG A 484 15.423 -9.793 8.001 1.00 0.00 C ATOM 437 NH1 ARG A 484 16.552 -9.097 8.026 1.00 0.00 N ATOM 438 NH2 ARG A 484 15.452 -11.102 8.212 1.00 0.00 N ATOM 0 H ARG A 484 12.542 -5.248 4.507 1.00 0.00 H new ATOM 0 HA ARG A 484 14.523 -7.121 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.414 -7.156 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 484 13.120 -8.655 5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 484 15.328 -7.989 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.812 -6.341 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 484 14.807 -7.208 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.129 -7.426 7.745 1.00 0.00 H new ATOM 0 HE ARG A 484 13.418 -9.746 7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 484 16.534 -8.090 7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 484 17.438 -9.569 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 484 14.586 -11.641 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 484 16.340 -11.570 8.394 1.00 0.00 H new ATOM 452 N PHE A 485 11.715 -6.853 2.128 1.00 0.00 N ATOM 453 CA PHE A 485 10.774 -7.377 1.145 1.00 0.00 C ATOM 454 C PHE A 485 11.000 -6.734 -0.221 1.00 0.00 C ATOM 455 O PHE A 485 10.150 -6.820 -1.106 1.00 0.00 O ATOM 456 CB PHE A 485 9.335 -7.134 1.604 1.00 0.00 C ATOM 457 CG PHE A 485 9.057 -7.632 2.993 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.408 -6.874 4.098 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.444 -8.859 3.194 1.00 0.00 C ATOM 460 CE1 PHE A 485 9.153 -7.330 5.378 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.187 -9.319 4.471 1.00 0.00 C ATOM 462 CZ PHE A 485 8.543 -8.554 5.565 1.00 0.00 C ATOM 0 H PHE A 485 11.658 -5.845 2.271 1.00 0.00 H new ATOM 0 HA PHE A 485 10.942 -8.450 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 485 9.124 -6.066 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.653 -7.622 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.886 -5.916 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.164 -9.462 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 485 9.431 -6.729 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.708 -10.276 4.614 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.344 -8.913 6.564 1.00 0.00 H new ATOM 472 N GLU A 486 12.151 -6.089 -0.381 1.00 0.00 N ATOM 473 CA GLU A 486 12.488 -5.429 -1.638 1.00 0.00 C ATOM 474 C GLU A 486 12.042 -6.271 -2.830 1.00 0.00 C ATOM 475 O GLU A 486 12.452 -7.421 -2.981 1.00 0.00 O ATOM 476 CB GLU A 486 13.994 -5.172 -1.716 1.00 0.00 C ATOM 477 CG GLU A 486 14.452 -4.646 -3.066 1.00 0.00 C ATOM 478 CD GLU A 486 15.910 -4.952 -3.348 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.761 -4.611 -2.500 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.200 -5.532 -4.415 1.00 0.00 O ATOM 0 H GLU A 486 12.865 -6.009 0.343 1.00 0.00 H new ATOM 0 HA GLU A 486 11.962 -4.475 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.272 -4.456 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.524 -6.099 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.835 -5.084 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.297 -3.568 -3.103 1.00 0.00 H new ATOM 487 N GLY A 487 11.197 -5.688 -3.675 1.00 0.00 N ATOM 488 CA GLY A 487 10.708 -6.398 -4.843 1.00 0.00 C ATOM 489 C GLY A 487 9.315 -6.960 -4.638 1.00 0.00 C ATOM 490 O GLY A 487 8.805 -7.695 -5.484 1.00 0.00 O ATOM 0 H GLY A 487 10.842 -4.737 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.702 -5.723 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.393 -7.211 -5.083 1.00 0.00 H new ATOM 494 N ASP A 488 8.700 -6.617 -3.512 1.00 0.00 N ATOM 495 CA ASP A 488 7.358 -7.093 -3.199 1.00 0.00 C ATOM 496 C ASP A 488 6.346 -5.953 -3.267 1.00 0.00 C ATOM 497 O ASP A 488 6.564 -4.880 -2.704 1.00 0.00 O ATOM 498 CB ASP A 488 7.332 -7.731 -1.809 1.00 0.00 C ATOM 499 CG ASP A 488 8.025 -9.079 -1.778 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.012 -9.256 -2.523 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.582 -9.956 -1.008 1.00 0.00 O ATOM 0 H ASP A 488 9.109 -6.011 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 488 7.084 -7.843 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.814 -7.062 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.298 -7.850 -1.486 1.00 0.00 H new ATOM 506 N THR A 489 5.239 -6.192 -3.963 1.00 0.00 N ATOM 507 CA THR A 489 4.195 -5.185 -4.108 1.00 0.00 C ATOM 508 C THR A 489 2.850 -5.714 -3.624 1.00 0.00 C ATOM 509 O THR A 489 2.664 -6.921 -3.475 1.00 0.00 O ATOM 510 CB THR A 489 4.057 -4.725 -5.572 1.00 0.00 C ATOM 511 OG1 THR A 489 3.141 -5.578 -6.269 1.00 0.00 O ATOM 512 CG2 THR A 489 5.407 -4.741 -6.274 1.00 0.00 C ATOM 0 H THR A 489 5.042 -7.074 -4.435 1.00 0.00 H new ATOM 0 HA THR A 489 4.490 -4.334 -3.494 1.00 0.00 H new ATOM 0 HB THR A 489 3.676 -3.704 -5.575 1.00 0.00 H new ATOM 0 HG1 THR A 489 2.284 -5.116 -6.381 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.284 -4.413 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 489 6.093 -4.069 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.812 -5.753 -6.261 1.00 0.00 H new ATOM 520 N GLY A 490 1.913 -4.802 -3.382 1.00 0.00 N ATOM 521 CA GLY A 490 0.596 -5.197 -2.918 1.00 0.00 C ATOM 522 C GLY A 490 -0.314 -4.010 -2.677 1.00 0.00 C ATOM 523 O GLY A 490 0.050 -2.869 -2.967 1.00 0.00 O ATOM 0 H GLY A 490 2.043 -3.797 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.138 -5.858 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.696 -5.768 -1.995 1.00 0.00 H new ATOM 527 N LEU A 491 -1.503 -4.275 -2.147 1.00 0.00 N ATOM 528 CA LEU A 491 -2.470 -3.219 -1.869 1.00 0.00 C ATOM 529 C LEU A 491 -2.416 -2.804 -0.402 1.00 0.00 C ATOM 530 O LEU A 491 -1.948 -3.560 0.450 1.00 0.00 O ATOM 531 CB LEU A 491 -3.882 -3.686 -2.227 1.00 0.00 C ATOM 532 CG LEU A 491 -4.331 -3.423 -3.665 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.671 -4.088 -3.936 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.413 -1.927 -3.932 1.00 0.00 C ATOM 0 H LEU A 491 -1.821 -5.213 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.214 -2.355 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.948 -4.757 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.586 -3.199 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.592 -3.853 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.974 -3.890 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.580 -5.164 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.420 -3.688 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.734 -1.758 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.131 -1.474 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.433 -1.476 -3.779 1.00 0.00 H new ATOM 546 N ILE A 492 -2.901 -1.601 -0.115 1.00 0.00 N ATOM 547 CA ILE A 492 -2.911 -1.087 1.249 1.00 0.00 C ATOM 548 C ILE A 492 -4.200 -1.467 1.970 1.00 0.00 C ATOM 549 O ILE A 492 -5.286 -1.021 1.599 1.00 0.00 O ATOM 550 CB ILE A 492 -2.753 0.444 1.276 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.494 0.862 0.513 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.701 0.947 2.711 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.411 2.350 0.253 1.00 0.00 C ATOM 0 H ILE A 492 -3.292 -0.964 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.063 -1.540 1.763 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.618 0.892 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.616 0.551 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.464 0.333 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.589 2.031 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.623 0.677 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.853 0.494 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.494 2.574 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.270 2.664 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.409 2.886 1.202 1.00 0.00 H new ATOM 565 N VAL A 493 -4.072 -2.292 3.005 1.00 0.00 N ATOM 566 CA VAL A 493 -5.227 -2.730 3.780 1.00 0.00 C ATOM 567 C VAL A 493 -5.279 -2.027 5.132 1.00 0.00 C ATOM 568 O VAL A 493 -6.357 -1.750 5.659 1.00 0.00 O ATOM 569 CB VAL A 493 -5.206 -4.253 4.006 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.703 -4.983 2.767 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.808 -4.717 4.383 1.00 0.00 C ATOM 0 H VAL A 493 -3.181 -2.670 3.326 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.114 -2.468 3.203 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.877 -4.489 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.681 -6.058 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.724 -4.672 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -5.060 -4.742 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.812 -5.796 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.114 -4.469 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.494 -4.219 5.301 1.00 0.00 H new ATOM 581 N ARG A 494 -4.107 -1.741 5.690 1.00 0.00 N ATOM 582 CA ARG A 494 -4.018 -1.072 6.982 1.00 0.00 C ATOM 583 C ARG A 494 -2.887 -0.047 6.986 1.00 0.00 C ATOM 584 O ARG A 494 -1.813 -0.289 6.435 1.00 0.00 O ATOM 585 CB ARG A 494 -3.798 -2.095 8.097 1.00 0.00 C ATOM 586 CG ARG A 494 -4.311 -1.639 9.453 1.00 0.00 C ATOM 587 CD ARG A 494 -3.681 -2.437 10.584 1.00 0.00 C ATOM 588 NE ARG A 494 -4.323 -3.737 10.760 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.462 -3.911 11.420 1.00 0.00 C ATOM 590 NH1 ARG A 494 -6.082 -2.873 11.964 1.00 0.00 N ATOM 591 NH2 ARG A 494 -5.984 -5.125 11.537 1.00 0.00 N ATOM 0 H ARG A 494 -3.206 -1.962 5.267 1.00 0.00 H new ATOM 0 HA ARG A 494 -4.959 -0.551 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.293 -3.027 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -2.732 -2.311 8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -4.093 -0.580 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.395 -1.748 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -2.620 -2.581 10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.752 -1.869 11.512 1.00 0.00 H new ATOM 0 HE ARG A 494 -3.872 -4.556 10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -5.684 -1.938 11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -6.957 -3.010 12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -5.510 -5.926 11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -6.859 -5.257 12.044 1.00 0.00 H new ATOM 605 N VAL A 495 -3.137 1.099 7.612 1.00 0.00 N ATOM 606 CA VAL A 495 -2.140 2.160 7.689 1.00 0.00 C ATOM 607 C VAL A 495 -1.964 2.645 9.124 1.00 0.00 C ATOM 608 O VAL A 495 -2.928 3.041 9.778 1.00 0.00 O ATOM 609 CB VAL A 495 -2.524 3.357 6.798 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.409 4.391 6.783 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.846 2.888 5.388 1.00 0.00 C ATOM 0 H VAL A 495 -4.021 1.316 8.073 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.200 1.738 7.333 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.416 3.826 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.698 5.229 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.231 4.748 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.498 3.938 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.115 3.746 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.973 2.394 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.681 2.188 5.419 1.00 0.00 H new ATOM 621 N GLU A 496 -0.725 2.612 9.606 1.00 0.00 N ATOM 622 CA GLU A 496 -0.423 3.048 10.964 1.00 0.00 C ATOM 623 C GLU A 496 0.550 4.224 10.955 1.00 0.00 C ATOM 624 O GLU A 496 1.306 4.408 10.001 1.00 0.00 O ATOM 625 CB GLU A 496 0.164 1.892 11.776 1.00 0.00 C ATOM 626 CG GLU A 496 -0.449 0.542 11.445 1.00 0.00 C ATOM 627 CD GLU A 496 -0.367 -0.436 12.601 1.00 0.00 C ATOM 628 OE1 GLU A 496 0.749 -0.645 13.122 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.417 -0.992 12.983 1.00 0.00 O ATOM 0 H GLU A 496 0.085 2.288 9.077 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.354 3.373 11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.239 1.846 11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.022 2.096 12.837 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.493 0.680 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 496 0.060 0.119 10.579 1.00 0.00 H new ATOM 636 N GLU A 497 0.524 5.015 12.022 1.00 0.00 N ATOM 637 CA GLU A 497 1.403 6.173 12.135 1.00 0.00 C ATOM 638 C GLU A 497 2.868 5.752 12.076 1.00 0.00 C ATOM 639 O GLU A 497 3.752 6.574 11.839 1.00 0.00 O ATOM 640 CB GLU A 497 1.129 6.923 13.441 1.00 0.00 C ATOM 641 CG GLU A 497 1.844 8.260 13.536 1.00 0.00 C ATOM 642 CD GLU A 497 1.140 9.235 14.459 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.019 9.597 14.168 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.748 9.635 15.474 1.00 0.00 O ATOM 0 H GLU A 497 -0.096 4.876 12.820 1.00 0.00 H new ATOM 0 HA GLU A 497 1.199 6.835 11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.056 7.087 13.538 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.433 6.297 14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.862 8.099 13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 497 1.920 8.698 12.541 1.00 0.00 H new ATOM 651 N ASN A 498 3.117 4.465 12.294 1.00 0.00 N ATOM 652 CA ASN A 498 4.475 3.933 12.267 1.00 0.00 C ATOM 653 C ASN A 498 4.779 3.287 10.919 1.00 0.00 C ATOM 654 O ASN A 498 5.681 3.718 10.200 1.00 0.00 O ATOM 655 CB ASN A 498 4.668 2.912 13.390 1.00 0.00 C ATOM 656 CG ASN A 498 5.015 3.567 14.713 1.00 0.00 C ATOM 657 OD1 ASN A 498 4.171 4.203 15.344 1.00 0.00 O ATOM 658 ND2 ASN A 498 6.264 3.414 15.139 1.00 0.00 N ATOM 0 H ASN A 498 2.396 3.771 12.491 1.00 0.00 H new ATOM 0 HA ASN A 498 5.166 4.762 12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.756 2.326 13.506 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.460 2.217 13.113 1.00 0.00 H new ATOM 0 HD21 ASN A 498 6.556 3.832 16.022 1.00 0.00 H new ATOM 0 HD22 ASN A 498 6.930 2.878 14.583 1.00 0.00 H new ATOM 665 N PHE A 499 4.020 2.250 10.581 1.00 0.00 N ATOM 666 CA PHE A 499 4.207 1.543 9.320 1.00 0.00 C ATOM 667 C PHE A 499 2.868 1.282 8.638 1.00 0.00 C ATOM 668 O PHE A 499 1.808 1.451 9.241 1.00 0.00 O ATOM 669 CB PHE A 499 4.939 0.220 9.556 1.00 0.00 C ATOM 670 CG PHE A 499 4.648 -0.395 10.895 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.495 -1.138 11.094 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.526 -0.232 11.953 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.224 -1.705 12.325 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.261 -0.796 13.187 1.00 0.00 C ATOM 675 CZ PHE A 499 4.108 -1.535 13.372 1.00 0.00 C ATOM 0 H PHE A 499 3.269 1.880 11.164 1.00 0.00 H new ATOM 0 HA PHE A 499 4.810 2.172 8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.660 -0.485 8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.012 0.387 9.467 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.801 -1.275 10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.429 0.343 11.812 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.321 -2.281 12.468 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.953 -0.659 14.005 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.899 -1.979 14.334 1.00 0.00 H new ATOM 685 N VAL A 500 2.923 0.869 7.376 1.00 0.00 N ATOM 686 CA VAL A 500 1.715 0.583 6.611 1.00 0.00 C ATOM 687 C VAL A 500 1.657 -0.885 6.203 1.00 0.00 C ATOM 688 O VAL A 500 2.575 -1.399 5.563 1.00 0.00 O ATOM 689 CB VAL A 500 1.632 1.459 5.346 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.442 1.050 4.491 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.548 2.931 5.723 1.00 0.00 C ATOM 0 H VAL A 500 3.792 0.725 6.861 1.00 0.00 H new ATOM 0 HA VAL A 500 0.869 0.811 7.259 1.00 0.00 H new ATOM 0 HB VAL A 500 2.539 1.309 4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.399 1.679 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.550 0.007 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.477 1.170 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.490 3.536 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 500 0.659 3.101 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.435 3.212 6.291 1.00 0.00 H new ATOM 701 N ILE A 501 0.573 -1.554 6.579 1.00 0.00 N ATOM 702 CA ILE A 501 0.394 -2.963 6.251 1.00 0.00 C ATOM 703 C ILE A 501 -0.286 -3.131 4.897 1.00 0.00 C ATOM 704 O ILE A 501 -1.428 -2.709 4.706 1.00 0.00 O ATOM 705 CB ILE A 501 -0.439 -3.690 7.324 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.050 -3.200 8.721 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.249 -5.195 7.213 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.302 -3.699 9.181 1.00 0.00 C ATOM 0 H ILE A 501 -0.195 -1.144 7.111 1.00 0.00 H new ATOM 0 HA ILE A 501 1.389 -3.406 6.213 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.493 -3.464 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.048 -2.110 8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.809 -3.521 9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.844 -5.694 7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.570 -5.531 6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.804 -5.440 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.512 -3.313 10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.298 -4.789 9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.071 -3.356 8.489 1.00 0.00 H new ATOM 720 N LEU A 502 0.422 -3.750 3.959 1.00 0.00 N ATOM 721 CA LEU A 502 -0.114 -3.976 2.621 1.00 0.00 C ATOM 722 C LEU A 502 -0.343 -5.463 2.370 1.00 0.00 C ATOM 723 O LEU A 502 0.473 -6.302 2.755 1.00 0.00 O ATOM 724 CB LEU A 502 0.839 -3.410 1.566 1.00 0.00 C ATOM 725 CG LEU A 502 2.165 -4.151 1.393 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.785 -3.828 0.043 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.125 -3.798 2.521 1.00 0.00 C ATOM 0 H LEU A 502 1.368 -4.104 4.100 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.073 -3.462 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.323 -3.401 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.056 -2.373 1.820 1.00 0.00 H new ATOM 0 HG LEU A 502 1.968 -5.222 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.728 -4.364 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.104 -4.132 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.968 -2.756 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.063 -4.335 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.316 -2.725 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.684 -4.081 3.476 1.00 0.00 H new ATOM 739 N PHE A 503 -1.457 -5.784 1.719 1.00 0.00 N ATOM 740 CA PHE A 503 -1.793 -7.170 1.415 1.00 0.00 C ATOM 741 C PHE A 503 -1.065 -7.643 0.160 1.00 0.00 C ATOM 742 O PHE A 503 -1.151 -7.013 -0.894 1.00 0.00 O ATOM 743 CB PHE A 503 -3.304 -7.322 1.231 1.00 0.00 C ATOM 744 CG PHE A 503 -3.721 -8.702 0.809 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.773 -9.735 1.731 1.00 0.00 C ATOM 746 CD2 PHE A 503 -4.060 -8.966 -0.508 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.156 -11.006 1.346 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.443 -10.235 -0.899 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.492 -11.256 0.030 1.00 0.00 C ATOM 0 H PHE A 503 -2.142 -5.103 1.392 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.473 -7.788 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.803 -7.071 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.645 -6.604 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.511 -9.545 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -4.025 -8.171 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.192 -11.803 2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.704 -10.428 -1.929 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.793 -12.248 -0.272 1.00 0.00 H new ATOM 759 N SER A 504 -0.349 -8.756 0.282 1.00 0.00 N ATOM 760 CA SER A 504 0.397 -9.312 -0.840 1.00 0.00 C ATOM 761 C SER A 504 -0.489 -10.227 -1.682 1.00 0.00 C ATOM 762 O SER A 504 -1.459 -10.798 -1.185 1.00 0.00 O ATOM 763 CB SER A 504 1.616 -10.087 -0.336 1.00 0.00 C ATOM 764 OG SER A 504 2.356 -10.632 -1.415 1.00 0.00 O ATOM 0 H SER A 504 -0.270 -9.291 1.147 1.00 0.00 H new ATOM 0 HA SER A 504 0.734 -8.485 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.255 -9.426 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.292 -10.888 0.328 1.00 0.00 H new ATOM 0 HG SER A 504 3.130 -11.121 -1.067 1.00 0.00 H new ATOM 770 N ASP A 505 -0.147 -10.359 -2.958 1.00 0.00 N ATOM 771 CA ASP A 505 -0.909 -11.205 -3.870 1.00 0.00 C ATOM 772 C ASP A 505 -0.159 -12.500 -4.165 1.00 0.00 C ATOM 773 O ASP A 505 -0.769 -13.535 -4.439 1.00 0.00 O ATOM 774 CB ASP A 505 -1.194 -10.458 -5.174 1.00 0.00 C ATOM 775 CG ASP A 505 -2.058 -9.231 -4.961 1.00 0.00 C ATOM 776 OD1 ASP A 505 -1.519 -8.194 -4.519 1.00 0.00 O ATOM 777 OD2 ASP A 505 -3.274 -9.306 -5.236 1.00 0.00 O ATOM 0 H ASP A 505 0.653 -9.891 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.855 -11.456 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -0.251 -10.160 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.690 -11.131 -5.874 1.00 0.00 H new ATOM 782 N LEU A 506 1.167 -12.436 -4.108 1.00 0.00 N ATOM 783 CA LEU A 506 2.001 -13.604 -4.370 1.00 0.00 C ATOM 784 C LEU A 506 1.960 -14.577 -3.197 1.00 0.00 C ATOM 785 O LEU A 506 1.727 -15.773 -3.375 1.00 0.00 O ATOM 786 CB LEU A 506 3.444 -13.174 -4.641 1.00 0.00 C ATOM 787 CG LEU A 506 3.663 -12.292 -5.870 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.107 -11.821 -5.940 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.283 -13.042 -7.139 1.00 0.00 C ATOM 0 H LEU A 506 1.687 -11.588 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 506 1.607 -14.110 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.813 -12.640 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 506 4.055 -14.070 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 506 3.021 -11.416 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.243 -11.195 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.346 -11.246 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.769 -12.685 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.445 -12.399 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.899 -13.937 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.232 -13.328 -7.092 1.00 0.00 H new ATOM 801 N THR A 507 2.185 -14.056 -1.994 1.00 0.00 N ATOM 802 CA THR A 507 2.172 -14.878 -0.791 1.00 0.00 C ATOM 803 C THR A 507 0.799 -14.864 -0.129 1.00 0.00 C ATOM 804 O THR A 507 0.513 -15.680 0.746 1.00 0.00 O ATOM 805 CB THR A 507 3.225 -14.401 0.227 1.00 0.00 C ATOM 806 OG1 THR A 507 2.948 -13.052 0.622 1.00 0.00 O ATOM 807 CG2 THR A 507 4.625 -14.484 -0.363 1.00 0.00 C ATOM 0 H THR A 507 2.378 -13.068 -1.828 1.00 0.00 H new ATOM 0 HA THR A 507 2.412 -15.895 -1.101 1.00 0.00 H new ATOM 0 HB THR A 507 3.176 -15.053 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.621 -12.756 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.351 -14.142 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.844 -15.516 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.684 -13.853 -1.250 1.00 0.00 H new ATOM 815 N MET A 508 -0.047 -13.931 -0.554 1.00 0.00 N ATOM 816 CA MET A 508 -1.392 -13.812 -0.003 1.00 0.00 C ATOM 817 C MET A 508 -1.343 -13.556 1.500 1.00 0.00 C ATOM 818 O MET A 508 -2.245 -13.955 2.238 1.00 0.00 O ATOM 819 CB MET A 508 -2.198 -15.080 -0.290 1.00 0.00 C ATOM 820 CG MET A 508 -2.401 -15.348 -1.772 1.00 0.00 C ATOM 821 SD MET A 508 -3.317 -16.870 -2.084 1.00 0.00 S ATOM 822 CE MET A 508 -5.004 -16.276 -1.979 1.00 0.00 C ATOM 0 H MET A 508 0.175 -13.247 -1.277 1.00 0.00 H new ATOM 0 HA MET A 508 -1.880 -12.964 -0.483 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.690 -15.933 0.159 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.172 -14.999 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.935 -14.509 -2.219 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.430 -15.406 -2.263 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.692 -17.104 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 508 -5.181 -15.856 -0.989 1.00 0.00 H new ATOM 0 HE3 MET A 508 -5.167 -15.507 -2.734 1.00 0.00 H new ATOM 832 N HIS A 509 -0.284 -12.889 1.949 1.00 0.00 N ATOM 833 CA HIS A 509 -0.118 -12.580 3.364 1.00 0.00 C ATOM 834 C HIS A 509 0.044 -11.078 3.578 1.00 0.00 C ATOM 835 O HIS A 509 0.406 -10.347 2.656 1.00 0.00 O ATOM 836 CB HIS A 509 1.094 -13.321 3.931 1.00 0.00 C ATOM 837 CG HIS A 509 0.875 -14.795 4.088 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.345 -15.344 4.419 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.731 -15.835 3.955 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.231 -16.658 4.484 1.00 0.00 C ATOM 841 NE2 HIS A 509 1.019 -16.982 4.207 1.00 0.00 N ATOM 0 H HIS A 509 0.472 -12.552 1.353 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.015 -12.909 3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.949 -13.157 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.349 -12.894 4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.778 -15.774 3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.025 -17.350 4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.395 -17.930 4.184 1.00 0.00 H new ATOM 849 N GLU A 510 -0.227 -10.626 4.798 1.00 0.00 N ATOM 850 CA GLU A 510 -0.113 -9.211 5.130 1.00 0.00 C ATOM 851 C GLU A 510 1.325 -8.852 5.494 1.00 0.00 C ATOM 852 O GLU A 510 1.844 -9.289 6.522 1.00 0.00 O ATOM 853 CB GLU A 510 -1.048 -8.859 6.289 1.00 0.00 C ATOM 854 CG GLU A 510 -2.452 -8.483 5.846 1.00 0.00 C ATOM 855 CD GLU A 510 -3.480 -8.669 6.946 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.759 -9.832 7.305 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.005 -7.652 7.446 1.00 0.00 O ATOM 0 H GLU A 510 -0.527 -11.219 5.572 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.402 -8.633 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -1.106 -9.709 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.619 -8.030 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.460 -7.443 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.732 -9.090 4.985 1.00 0.00 H new ATOM 864 N LEU A 511 1.962 -8.054 4.645 1.00 0.00 N ATOM 865 CA LEU A 511 3.341 -7.636 4.876 1.00 0.00 C ATOM 866 C LEU A 511 3.388 -6.301 5.613 1.00 0.00 C ATOM 867 O LEU A 511 2.597 -5.399 5.339 1.00 0.00 O ATOM 868 CB LEU A 511 4.090 -7.525 3.547 1.00 0.00 C ATOM 869 CG LEU A 511 3.929 -8.702 2.585 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.652 -8.425 1.276 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.446 -9.985 3.221 1.00 0.00 C ATOM 0 H LEU A 511 1.546 -7.683 3.790 1.00 0.00 H new ATOM 0 HA LEU A 511 3.825 -8.390 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.757 -6.619 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.151 -7.399 3.761 1.00 0.00 H new ATOM 0 HG LEU A 511 2.868 -8.828 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.526 -9.274 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.236 -7.531 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.713 -8.272 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.324 -10.813 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.502 -9.870 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.883 -10.192 4.131 1.00 0.00 H new ATOM 883 N LYS A 512 4.324 -6.181 6.549 1.00 0.00 N ATOM 884 CA LYS A 512 4.479 -4.956 7.324 1.00 0.00 C ATOM 885 C LYS A 512 5.758 -4.223 6.933 1.00 0.00 C ATOM 886 O LYS A 512 6.853 -4.781 7.009 1.00 0.00 O ATOM 887 CB LYS A 512 4.497 -5.274 8.821 1.00 0.00 C ATOM 888 CG LYS A 512 4.860 -4.083 9.691 1.00 0.00 C ATOM 889 CD LYS A 512 5.493 -4.522 11.001 1.00 0.00 C ATOM 890 CE LYS A 512 6.444 -3.465 11.543 1.00 0.00 C ATOM 891 NZ LYS A 512 6.981 -3.836 12.881 1.00 0.00 N ATOM 0 H LYS A 512 4.987 -6.918 6.789 1.00 0.00 H new ATOM 0 HA LYS A 512 3.630 -4.308 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.515 -5.644 9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.210 -6.078 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.550 -3.434 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.965 -3.496 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.712 -4.721 11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.034 -5.456 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.270 -3.328 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.924 -2.510 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.625 -3.091 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.195 -3.942 13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.499 -4.735 12.810 1.00 0.00 H new ATOM 905 N VAL A 513 5.613 -2.969 6.517 1.00 0.00 N ATOM 906 CA VAL A 513 6.757 -2.159 6.117 1.00 0.00 C ATOM 907 C VAL A 513 6.466 -0.673 6.291 1.00 0.00 C ATOM 908 O VAL A 513 5.308 -0.254 6.315 1.00 0.00 O ATOM 909 CB VAL A 513 7.149 -2.426 4.651 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.469 -1.747 4.319 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.227 -3.921 4.385 1.00 0.00 C ATOM 0 H VAL A 513 4.714 -2.492 6.448 1.00 0.00 H new ATOM 0 HA VAL A 513 7.587 -2.442 6.765 1.00 0.00 H new ATOM 0 HB VAL A 513 6.379 -2.005 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.730 -1.947 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.373 -0.672 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.252 -2.135 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.505 -4.091 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.976 -4.368 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.256 -4.376 4.580 1.00 0.00 H new ATOM 921 N LEU A 514 7.524 0.121 6.413 1.00 0.00 N ATOM 922 CA LEU A 514 7.383 1.563 6.585 1.00 0.00 C ATOM 923 C LEU A 514 6.964 2.229 5.279 1.00 0.00 C ATOM 924 O LEU A 514 7.259 1.746 4.185 1.00 0.00 O ATOM 925 CB LEU A 514 8.698 2.168 7.081 1.00 0.00 C ATOM 926 CG LEU A 514 9.254 1.590 8.383 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.642 2.146 8.663 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.315 1.886 9.542 1.00 0.00 C ATOM 0 H LEU A 514 8.489 -0.209 6.396 1.00 0.00 H new ATOM 0 HA LEU A 514 6.605 1.741 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.449 2.043 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.554 3.240 7.215 1.00 0.00 H new ATOM 0 HG LEU A 514 9.333 0.508 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.022 1.724 9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.312 1.882 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.588 3.231 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.727 1.467 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.203 2.965 9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.341 1.439 9.344 1.00 0.00 H new ATOM 940 N PRO A 515 6.262 3.366 5.392 1.00 0.00 N ATOM 941 CA PRO A 515 5.790 4.124 4.230 1.00 0.00 C ATOM 942 C PRO A 515 6.932 4.790 3.470 1.00 0.00 C ATOM 943 O PRO A 515 6.713 5.442 2.448 1.00 0.00 O ATOM 944 CB PRO A 515 4.870 5.181 4.846 1.00 0.00 C ATOM 945 CG PRO A 515 5.366 5.349 6.240 1.00 0.00 C ATOM 946 CD PRO A 515 5.875 3.999 6.664 1.00 0.00 C ATOM 0 HA PRO A 515 5.297 3.484 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 515 4.919 6.119 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 515 3.830 4.857 4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.158 6.096 6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 515 4.568 5.690 6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 515 6.722 4.084 7.345 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.107 3.424 7.182 1.00 0.00 H new ATOM 954 N ARG A 516 8.150 4.622 3.974 1.00 0.00 N ATOM 955 CA ARG A 516 9.326 5.208 3.342 1.00 0.00 C ATOM 956 C ARG A 516 9.927 4.250 2.317 1.00 0.00 C ATOM 957 O ARG A 516 10.511 4.677 1.322 1.00 0.00 O ATOM 958 CB ARG A 516 10.374 5.565 4.398 1.00 0.00 C ATOM 959 CG ARG A 516 10.919 4.359 5.147 1.00 0.00 C ATOM 960 CD ARG A 516 12.271 4.658 5.775 1.00 0.00 C ATOM 961 NE ARG A 516 12.143 5.427 7.011 1.00 0.00 N ATOM 962 CZ ARG A 516 13.181 5.866 7.714 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.417 5.614 7.305 1.00 0.00 N ATOM 964 NH2 ARG A 516 12.983 6.559 8.828 1.00 0.00 N ATOM 0 H ARG A 516 8.348 4.085 4.818 1.00 0.00 H new ATOM 0 HA ARG A 516 9.015 6.117 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.201 6.087 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 516 9.934 6.259 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.214 4.062 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.013 3.516 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.789 3.722 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.886 5.212 5.065 1.00 0.00 H new ATOM 0 HE ARG A 516 11.205 5.638 7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.572 5.082 6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.212 5.952 7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 516 12.033 6.755 9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 516 13.780 6.896 9.368 1.00 0.00 H new ATOM 978 N ASP A 517 9.779 2.954 2.569 1.00 0.00 N ATOM 979 CA ASP A 517 10.306 1.935 1.668 1.00 0.00 C ATOM 980 C ASP A 517 9.253 1.515 0.647 1.00 0.00 C ATOM 981 O ASP A 517 9.460 0.578 -0.125 1.00 0.00 O ATOM 982 CB ASP A 517 10.778 0.717 2.463 1.00 0.00 C ATOM 983 CG ASP A 517 11.572 1.102 3.695 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.567 1.842 3.552 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.199 0.662 4.803 1.00 0.00 O ATOM 0 H ASP A 517 9.299 2.584 3.389 1.00 0.00 H new ATOM 0 HA ASP A 517 11.155 2.361 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.913 0.125 2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.392 0.084 1.822 1.00 0.00 H new ATOM 990 N LEU A 518 8.123 2.214 0.649 1.00 0.00 N ATOM 991 CA LEU A 518 7.036 1.913 -0.276 1.00 0.00 C ATOM 992 C LEU A 518 6.851 3.043 -1.284 1.00 0.00 C ATOM 993 O LEU A 518 7.220 4.187 -1.022 1.00 0.00 O ATOM 994 CB LEU A 518 5.734 1.682 0.493 1.00 0.00 C ATOM 995 CG LEU A 518 5.667 0.404 1.331 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.347 0.326 2.081 1.00 0.00 C ATOM 997 CD2 LEU A 518 5.856 -0.822 0.450 1.00 0.00 C ATOM 0 H LEU A 518 7.936 2.993 1.281 1.00 0.00 H new ATOM 0 HA LEU A 518 7.295 1.004 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.569 2.534 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.911 1.668 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 518 6.475 0.429 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.318 -0.590 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.253 1.187 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.523 0.324 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 518 5.805 -1.722 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.070 -0.852 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 518 6.828 -0.771 -0.040 1.00 0.00 H new ATOM 1009 N GLN A 519 6.274 2.713 -2.436 1.00 0.00 N ATOM 1010 CA GLN A 519 6.039 3.701 -3.482 1.00 0.00 C ATOM 1011 C GLN A 519 4.716 3.436 -4.193 1.00 0.00 C ATOM 1012 O GLN A 519 4.448 2.316 -4.631 1.00 0.00 O ATOM 1013 CB GLN A 519 7.186 3.687 -4.493 1.00 0.00 C ATOM 1014 CG GLN A 519 7.055 2.602 -5.548 1.00 0.00 C ATOM 1015 CD GLN A 519 6.243 3.049 -6.748 1.00 0.00 C ATOM 1016 OE1 GLN A 519 6.386 4.176 -7.224 1.00 0.00 O ATOM 1017 NE2 GLN A 519 5.384 2.167 -7.245 1.00 0.00 N ATOM 0 H GLN A 519 5.961 1.770 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 519 5.989 4.684 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.236 4.658 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.127 3.552 -3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.049 2.300 -5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.587 1.724 -5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 519 5.297 1.244 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 519 4.811 2.412 -8.052 1.00 0.00 H new ATOM 1026 N LEU A 520 3.892 4.472 -4.304 1.00 0.00 N ATOM 1027 CA LEU A 520 2.595 4.351 -4.962 1.00 0.00 C ATOM 1028 C LEU A 520 2.759 3.898 -6.409 1.00 0.00 C ATOM 1029 O LEU A 520 3.792 4.144 -7.034 1.00 0.00 O ATOM 1030 CB LEU A 520 1.852 5.687 -4.915 1.00 0.00 C ATOM 1031 CG LEU A 520 0.959 5.916 -3.695 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.235 7.249 -3.806 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.039 4.777 -3.543 1.00 0.00 C ATOM 0 H LEU A 520 4.098 5.405 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 520 2.013 3.599 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.587 6.490 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.237 5.770 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 520 1.590 5.941 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.396 7.395 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.965 8.056 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.384 7.253 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.666 4.957 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.665 4.720 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.498 3.837 -3.417 1.00 0.00 H new