USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=4 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 507 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 509 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.8!) 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 477 HIS :FLIP no HE2:sc= -1.14 F(o=-1.7,f=-1.1) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 504 SER OG : rot 180:sc= 0.224 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.214 6.763 0.876 1.00 0.00 N ATOM 244 CA PHE A 472 -0.261 5.385 0.890 1.00 0.00 C ATOM 245 C PHE A 472 -1.547 5.261 1.701 1.00 0.00 C ATOM 246 O PHE A 472 -1.518 5.216 2.931 1.00 0.00 O ATOM 247 CB PHE A 472 0.811 4.460 1.470 1.00 0.00 C ATOM 248 CG PHE A 472 2.192 4.744 0.952 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.396 5.054 -0.383 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.287 4.701 1.801 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.665 5.317 -0.862 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.559 4.964 1.327 1.00 0.00 C ATOM 253 CZ PHE A 472 4.748 5.271 -0.006 1.00 0.00 C ATOM 0 HA PHE A 472 -0.470 5.089 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.812 4.555 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.551 3.427 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.553 5.090 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.145 4.459 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.810 5.558 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.404 4.929 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.741 5.475 -0.379 1.00 0.00 H new ATOM 263 N LYS A 473 -2.677 5.208 1.003 1.00 0.00 N ATOM 264 CA LYS A 473 -3.975 5.089 1.655 1.00 0.00 C ATOM 265 C LYS A 473 -4.649 3.770 1.290 1.00 0.00 C ATOM 266 O LYS A 473 -4.463 3.251 0.190 1.00 0.00 O ATOM 267 CB LYS A 473 -4.877 6.260 1.260 1.00 0.00 C ATOM 268 CG LYS A 473 -4.674 7.499 2.114 1.00 0.00 C ATOM 269 CD LYS A 473 -5.570 7.483 3.342 1.00 0.00 C ATOM 270 CE LYS A 473 -7.031 7.679 2.967 1.00 0.00 C ATOM 271 NZ LYS A 473 -7.796 8.354 4.052 1.00 0.00 N ATOM 0 H LYS A 473 -2.719 5.246 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.814 5.109 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.692 6.514 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.918 5.946 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -3.631 7.561 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -4.884 8.389 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.452 6.536 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.261 8.270 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.095 8.272 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.484 6.711 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -8.787 8.469 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -7.756 7.776 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -7.380 9.288 4.241 1.00 0.00 H new ATOM 285 N MET A 474 -5.432 3.233 2.220 1.00 0.00 N ATOM 286 CA MET A 474 -6.136 1.976 1.994 1.00 0.00 C ATOM 287 C MET A 474 -6.792 1.960 0.617 1.00 0.00 C ATOM 288 O MET A 474 -7.379 2.952 0.188 1.00 0.00 O ATOM 289 CB MET A 474 -7.192 1.756 3.078 1.00 0.00 C ATOM 290 CG MET A 474 -7.486 0.290 3.351 1.00 0.00 C ATOM 291 SD MET A 474 -8.535 -0.455 2.087 1.00 0.00 S ATOM 292 CE MET A 474 -10.092 -0.572 2.965 1.00 0.00 C ATOM 0 H MET A 474 -5.595 3.649 3.137 1.00 0.00 H new ATOM 0 HA MET A 474 -5.407 1.167 2.038 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.857 2.229 4.001 1.00 0.00 H new ATOM 0 HB3 MET A 474 -8.115 2.254 2.781 1.00 0.00 H new ATOM 0 HG2 MET A 474 -6.547 -0.260 3.409 1.00 0.00 H new ATOM 0 HG3 MET A 474 -7.971 0.195 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.845 -1.015 2.313 1.00 0.00 H new ATOM 0 HE2 MET A 474 -9.965 -1.196 3.849 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.415 0.424 3.268 1.00 0.00 H new ATOM 302 N GLY A 475 -6.688 0.827 -0.070 1.00 0.00 N ATOM 303 CA GLY A 475 -7.277 0.704 -1.391 1.00 0.00 C ATOM 304 C GLY A 475 -6.266 0.926 -2.499 1.00 0.00 C ATOM 305 O GLY A 475 -6.291 0.237 -3.519 1.00 0.00 O ATOM 0 H GLY A 475 -6.207 -0.008 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.717 -0.287 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.088 1.426 -1.493 1.00 0.00 H new ATOM 309 N ASP A 476 -5.375 1.891 -2.300 1.00 0.00 N ATOM 310 CA ASP A 476 -4.351 2.202 -3.290 1.00 0.00 C ATOM 311 C ASP A 476 -3.283 1.113 -3.330 1.00 0.00 C ATOM 312 O ASP A 476 -3.091 0.382 -2.357 1.00 0.00 O ATOM 313 CB ASP A 476 -3.707 3.555 -2.981 1.00 0.00 C ATOM 314 CG ASP A 476 -4.576 4.721 -3.408 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.812 4.622 -3.268 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.019 5.733 -3.884 1.00 0.00 O ATOM 0 H ASP A 476 -5.341 2.471 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.830 2.251 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.511 3.625 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.744 3.619 -3.487 1.00 0.00 H new ATOM 321 N HIS A 477 -2.592 1.010 -4.460 1.00 0.00 N ATOM 322 CA HIS A 477 -1.544 0.009 -4.626 1.00 0.00 C ATOM 323 C HIS A 477 -0.168 0.615 -4.365 1.00 0.00 C ATOM 324 O HIS A 477 0.175 1.662 -4.915 1.00 0.00 O ATOM 325 CB HIS A 477 -1.594 -0.583 -6.035 1.00 0.00 C ATOM 326 CG HIS A 477 -0.473 -1.533 -6.325 1.00 0.00 C ATOM 327 ND1 HIS A 477 -0.203 -2.763 -5.828 1.00 0.00 N flip ATOM 328 CD2 HIS A 477 0.535 -1.255 -7.224 1.00 0.00 C flip ATOM 329 CE1 HIS A 477 0.950 -3.202 -6.431 1.00 0.00 C flip ATOM 330 NE2 HIS A 477 1.375 -2.274 -7.269 1.00 0.00 N flip ATOM 0 H HIS A 477 -2.738 1.607 -5.274 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.716 -0.785 -3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.543 -1.102 -6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.569 0.228 -6.762 1.00 0.00 H new ATOM 0 HD1 HIS A 477 -0.754 -3.269 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 477 0.624 -0.346 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.431 -4.152 -6.249 1.00 0.00 H new ATOM 338 N VAL A 478 0.616 -0.049 -3.522 1.00 0.00 N ATOM 339 CA VAL A 478 1.954 0.423 -3.188 1.00 0.00 C ATOM 340 C VAL A 478 3.013 -0.599 -3.585 1.00 0.00 C ATOM 341 O VAL A 478 2.719 -1.784 -3.746 1.00 0.00 O ATOM 342 CB VAL A 478 2.084 0.723 -1.682 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.180 1.881 -1.288 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.763 -0.518 -0.863 1.00 0.00 C ATOM 0 H VAL A 478 0.347 -0.916 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 478 2.114 1.344 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 478 3.114 1.012 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.285 2.078 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.462 2.771 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.144 1.625 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.860 -0.289 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.743 -0.839 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.456 -1.317 -1.126 1.00 0.00 H new ATOM 354 N LYS A 479 4.248 -0.134 -3.740 1.00 0.00 N ATOM 355 CA LYS A 479 5.353 -1.007 -4.116 1.00 0.00 C ATOM 356 C LYS A 479 6.512 -0.872 -3.133 1.00 0.00 C ATOM 357 O LYS A 479 6.696 0.176 -2.515 1.00 0.00 O ATOM 358 CB LYS A 479 5.831 -0.677 -5.532 1.00 0.00 C ATOM 359 CG LYS A 479 7.300 -0.985 -5.765 1.00 0.00 C ATOM 360 CD LYS A 479 7.633 -1.022 -7.247 1.00 0.00 C ATOM 361 CE LYS A 479 9.133 -1.125 -7.479 1.00 0.00 C ATOM 362 NZ LYS A 479 9.515 -0.683 -8.849 1.00 0.00 N ATOM 0 H LYS A 479 4.509 0.844 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 479 4.995 -2.036 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.232 -1.239 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.654 0.380 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.914 -0.231 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.548 -1.944 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.133 -1.871 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.250 -0.123 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.657 -0.516 -6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.454 -2.156 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.545 -0.769 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 9.035 -1.280 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 9.232 0.308 -8.985 1.00 0.00 H new ATOM 376 N VAL A 480 7.291 -1.940 -2.994 1.00 0.00 N ATOM 377 CA VAL A 480 8.433 -1.940 -2.088 1.00 0.00 C ATOM 378 C VAL A 480 9.737 -1.718 -2.847 1.00 0.00 C ATOM 379 O VAL A 480 10.120 -2.527 -3.693 1.00 0.00 O ATOM 380 CB VAL A 480 8.528 -3.262 -1.304 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.689 -3.220 -0.323 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.220 -3.548 -0.583 1.00 0.00 C ATOM 0 H VAL A 480 7.152 -2.816 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 480 8.280 -1.120 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 480 8.711 -4.071 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.740 -4.163 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.620 -3.065 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.541 -2.402 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.305 -4.486 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 480 7.004 -2.738 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.413 -3.625 -1.311 1.00 0.00 H new ATOM 392 N ILE A 481 10.414 -0.617 -2.540 1.00 0.00 N ATOM 393 CA ILE A 481 11.675 -0.289 -3.192 1.00 0.00 C ATOM 394 C ILE A 481 12.862 -0.644 -2.303 1.00 0.00 C ATOM 395 O ILE A 481 13.974 -0.851 -2.788 1.00 0.00 O ATOM 396 CB ILE A 481 11.750 1.206 -3.555 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.632 2.066 -2.294 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.657 1.564 -4.551 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.911 3.533 -2.535 1.00 0.00 C ATOM 0 H ILE A 481 10.110 0.063 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 481 11.719 -0.879 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 481 12.716 1.405 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.628 1.958 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.326 1.691 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.723 2.624 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.782 0.972 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.682 1.354 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.809 4.081 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.925 3.653 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.200 3.924 -3.263 1.00 0.00 H new ATOM 411 N ALA A 482 12.618 -0.716 -0.999 1.00 0.00 N ATOM 412 CA ALA A 482 13.665 -1.051 -0.042 1.00 0.00 C ATOM 413 C ALA A 482 13.127 -1.942 1.072 1.00 0.00 C ATOM 414 O ALA A 482 11.948 -2.294 1.084 1.00 0.00 O ATOM 415 CB ALA A 482 14.273 0.217 0.540 1.00 0.00 C ATOM 0 H ALA A 482 11.703 -0.547 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 482 14.442 -1.604 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.054 -0.048 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.703 0.816 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.498 0.792 1.047 1.00 0.00 H new ATOM 421 N GLY A 483 13.999 -2.304 2.008 1.00 0.00 N ATOM 422 CA GLY A 483 13.592 -3.152 3.113 1.00 0.00 C ATOM 423 C GLY A 483 13.914 -4.613 2.872 1.00 0.00 C ATOM 424 O GLY A 483 14.775 -4.939 2.054 1.00 0.00 O ATOM 0 H GLY A 483 14.980 -2.025 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.089 -2.819 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.520 -3.042 3.276 1.00 0.00 H new ATOM 428 N ARG A 484 13.223 -5.495 3.586 1.00 0.00 N ATOM 429 CA ARG A 484 13.443 -6.930 3.448 1.00 0.00 C ATOM 430 C ARG A 484 12.691 -7.481 2.240 1.00 0.00 C ATOM 431 O ARG A 484 13.027 -8.544 1.718 1.00 0.00 O ATOM 432 CB ARG A 484 12.996 -7.661 4.716 1.00 0.00 C ATOM 433 CG ARG A 484 13.236 -9.161 4.671 1.00 0.00 C ATOM 434 CD ARG A 484 12.437 -9.885 5.743 1.00 0.00 C ATOM 435 NE ARG A 484 12.788 -11.301 5.824 1.00 0.00 N ATOM 436 CZ ARG A 484 13.814 -11.764 6.529 1.00 0.00 C ATOM 437 NH1 ARG A 484 14.586 -10.929 7.211 1.00 0.00 N ATOM 438 NH2 ARG A 484 14.069 -13.066 6.554 1.00 0.00 N ATOM 0 H ARG A 484 12.506 -5.242 4.266 1.00 0.00 H new ATOM 0 HA ARG A 484 14.510 -7.096 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.525 -7.242 5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.934 -7.476 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.961 -9.545 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.298 -9.365 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 484 12.614 -9.412 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 484 11.372 -9.787 5.530 1.00 0.00 H new ATOM 0 HE ARG A 484 12.214 -11.970 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 484 14.393 -9.928 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 484 15.373 -11.288 7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 484 13.477 -13.712 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 484 14.857 -13.421 7.096 1.00 0.00 H new ATOM 452 N PHE A 485 11.672 -6.750 1.799 1.00 0.00 N ATOM 453 CA PHE A 485 10.872 -7.166 0.653 1.00 0.00 C ATOM 454 C PHE A 485 11.098 -6.235 -0.534 1.00 0.00 C ATOM 455 O PHE A 485 10.160 -5.887 -1.250 1.00 0.00 O ATOM 456 CB PHE A 485 9.387 -7.189 1.023 1.00 0.00 C ATOM 457 CG PHE A 485 9.099 -7.919 2.303 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.174 -7.263 3.522 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.755 -9.261 2.289 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.909 -7.932 4.702 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.489 -9.935 3.466 1.00 0.00 C ATOM 462 CZ PHE A 485 8.567 -9.270 4.674 1.00 0.00 C ATOM 0 H PHE A 485 11.381 -5.867 2.218 1.00 0.00 H new ATOM 0 HA PHE A 485 11.184 -8.171 0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 485 9.027 -6.164 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.826 -7.657 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.443 -6.217 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.694 -9.787 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.969 -7.409 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.220 -10.981 3.441 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.361 -9.795 5.595 1.00 0.00 H new ATOM 472 N GLU A 486 12.350 -5.835 -0.735 1.00 0.00 N ATOM 473 CA GLU A 486 12.699 -4.943 -1.835 1.00 0.00 C ATOM 474 C GLU A 486 12.314 -5.558 -3.177 1.00 0.00 C ATOM 475 O GLU A 486 12.939 -6.513 -3.636 1.00 0.00 O ATOM 476 CB GLU A 486 14.197 -4.633 -1.814 1.00 0.00 C ATOM 477 CG GLU A 486 14.706 -4.003 -3.099 1.00 0.00 C ATOM 478 CD GLU A 486 16.212 -3.822 -3.103 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.923 -4.769 -3.500 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.679 -2.732 -2.710 1.00 0.00 O ATOM 0 H GLU A 486 13.139 -6.114 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 486 12.142 -4.015 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.409 -3.962 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.748 -5.555 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.416 -4.627 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.227 -3.034 -3.239 1.00 0.00 H new ATOM 487 N GLY A 487 11.280 -5.003 -3.802 1.00 0.00 N ATOM 488 CA GLY A 487 10.829 -5.510 -5.085 1.00 0.00 C ATOM 489 C GLY A 487 9.401 -6.014 -5.040 1.00 0.00 C ATOM 490 O GLY A 487 8.717 -6.055 -6.062 1.00 0.00 O ATOM 0 H GLY A 487 10.747 -4.211 -3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.909 -4.721 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.486 -6.319 -5.404 1.00 0.00 H new ATOM 494 N ASP A 488 8.949 -6.401 -3.851 1.00 0.00 N ATOM 495 CA ASP A 488 7.593 -6.906 -3.677 1.00 0.00 C ATOM 496 C ASP A 488 6.571 -5.784 -3.829 1.00 0.00 C ATOM 497 O ASP A 488 6.883 -4.612 -3.615 1.00 0.00 O ATOM 498 CB ASP A 488 7.444 -7.566 -2.304 1.00 0.00 C ATOM 499 CG ASP A 488 7.934 -9.000 -2.295 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.134 -9.216 -2.022 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.118 -9.907 -2.560 1.00 0.00 O ATOM 0 H ASP A 488 9.502 -6.374 -2.995 1.00 0.00 H new ATOM 0 HA ASP A 488 7.407 -7.650 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.001 -6.990 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.396 -7.541 -2.004 1.00 0.00 H new ATOM 506 N THR A 489 5.348 -6.150 -4.200 1.00 0.00 N ATOM 507 CA THR A 489 4.281 -5.175 -4.383 1.00 0.00 C ATOM 508 C THR A 489 2.939 -5.735 -3.925 1.00 0.00 C ATOM 509 O THR A 489 2.692 -6.936 -4.019 1.00 0.00 O ATOM 510 CB THR A 489 4.165 -4.738 -5.856 1.00 0.00 C ATOM 511 OG1 THR A 489 3.768 -5.849 -6.667 1.00 0.00 O ATOM 512 CG2 THR A 489 5.489 -4.182 -6.361 1.00 0.00 C ATOM 0 H THR A 489 5.072 -7.115 -4.380 1.00 0.00 H new ATOM 0 HA THR A 489 4.538 -4.309 -3.773 1.00 0.00 H new ATOM 0 HB THR A 489 3.411 -3.954 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.695 -5.562 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.383 -3.880 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.774 -3.318 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.259 -4.949 -6.282 1.00 0.00 H new ATOM 520 N GLY A 490 2.074 -4.855 -3.428 1.00 0.00 N ATOM 521 CA GLY A 490 0.767 -5.282 -2.963 1.00 0.00 C ATOM 522 C GLY A 490 -0.188 -4.120 -2.773 1.00 0.00 C ATOM 523 O GLY A 490 0.133 -2.981 -3.113 1.00 0.00 O ATOM 0 H GLY A 490 2.255 -3.855 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.341 -5.985 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.877 -5.816 -2.019 1.00 0.00 H new ATOM 527 N LEU A 491 -1.365 -4.408 -2.229 1.00 0.00 N ATOM 528 CA LEU A 491 -2.372 -3.378 -1.995 1.00 0.00 C ATOM 529 C LEU A 491 -2.401 -2.969 -0.526 1.00 0.00 C ATOM 530 O LEU A 491 -1.943 -3.710 0.344 1.00 0.00 O ATOM 531 CB LEU A 491 -3.752 -3.880 -2.424 1.00 0.00 C ATOM 532 CG LEU A 491 -4.140 -3.613 -3.879 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.409 -4.370 -4.240 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.321 -2.121 -4.119 1.00 0.00 C ATOM 0 H LEU A 491 -1.646 -5.346 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.108 -2.504 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.797 -4.955 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.501 -3.420 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.334 -3.968 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.670 -4.168 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.245 -5.439 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.223 -4.046 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.597 -1.951 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.108 -1.741 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.388 -1.602 -3.901 1.00 0.00 H new ATOM 546 N ILE A 492 -2.944 -1.786 -0.257 1.00 0.00 N ATOM 547 CA ILE A 492 -3.037 -1.281 1.106 1.00 0.00 C ATOM 548 C ILE A 492 -4.311 -1.766 1.788 1.00 0.00 C ATOM 549 O ILE A 492 -5.415 -1.567 1.279 1.00 0.00 O ATOM 550 CB ILE A 492 -3.005 0.259 1.139 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.787 0.782 0.374 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.988 0.758 2.577 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.795 2.282 0.180 1.00 0.00 C ATOM 0 H ILE A 492 -3.326 -1.160 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.171 -1.667 1.644 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.905 0.637 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.882 0.498 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.745 0.298 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.965 1.848 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.883 0.410 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -2.104 0.374 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.903 2.583 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.682 2.571 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.805 2.775 1.152 1.00 0.00 H new ATOM 565 N VAL A 493 -4.152 -2.404 2.943 1.00 0.00 N ATOM 566 CA VAL A 493 -5.290 -2.916 3.697 1.00 0.00 C ATOM 567 C VAL A 493 -5.375 -2.266 5.074 1.00 0.00 C ATOM 568 O VAL A 493 -6.465 -2.024 5.592 1.00 0.00 O ATOM 569 CB VAL A 493 -5.209 -4.444 3.867 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.666 -5.148 2.599 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.795 -4.864 4.240 1.00 0.00 C ATOM 0 H VAL A 493 -3.246 -2.579 3.377 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.185 -2.668 3.126 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.877 -4.738 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.602 -6.227 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.697 -4.871 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -5.027 -4.851 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.756 -5.947 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.105 -4.558 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.510 -4.388 5.178 1.00 0.00 H new ATOM 581 N ARG A 494 -4.216 -1.985 5.662 1.00 0.00 N ATOM 582 CA ARG A 494 -4.159 -1.363 6.979 1.00 0.00 C ATOM 583 C ARG A 494 -2.889 -0.532 7.133 1.00 0.00 C ATOM 584 O ARG A 494 -1.778 -1.060 7.085 1.00 0.00 O ATOM 585 CB ARG A 494 -4.218 -2.431 8.073 1.00 0.00 C ATOM 586 CG ARG A 494 -4.658 -1.894 9.425 1.00 0.00 C ATOM 587 CD ARG A 494 -4.144 -2.762 10.563 1.00 0.00 C ATOM 588 NE ARG A 494 -4.930 -3.984 10.717 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.178 -4.002 11.170 1.00 0.00 C ATOM 590 NH1 ARG A 494 -6.780 -2.871 11.513 1.00 0.00 N ATOM 591 NH2 ARG A 494 -6.828 -5.154 11.282 1.00 0.00 N ATOM 0 H ARG A 494 -3.305 -2.178 5.247 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.020 -0.702 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.905 -3.219 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.234 -2.888 8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -4.292 -0.875 9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.746 -1.849 9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -3.102 -3.022 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.171 -2.194 11.493 1.00 0.00 H new ATOM 0 HE ARG A 494 -4.496 -4.872 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -6.284 -1.984 11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -7.739 -2.889 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -6.369 -6.026 11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -7.787 -5.167 11.630 1.00 0.00 H new ATOM 605 N VAL A 495 -3.061 0.773 7.318 1.00 0.00 N ATOM 606 CA VAL A 495 -1.930 1.678 7.480 1.00 0.00 C ATOM 607 C VAL A 495 -1.896 2.271 8.884 1.00 0.00 C ATOM 608 O VAL A 495 -2.908 2.761 9.386 1.00 0.00 O ATOM 609 CB VAL A 495 -1.976 2.824 6.452 1.00 0.00 C ATOM 610 CG1 VAL A 495 -3.385 3.389 6.345 1.00 0.00 C ATOM 611 CG2 VAL A 495 -0.983 3.915 6.825 1.00 0.00 C ATOM 0 H VAL A 495 -3.973 1.227 7.359 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.028 1.088 7.316 1.00 0.00 H new ATOM 0 HB VAL A 495 -1.694 2.426 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -3.398 4.198 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -4.069 2.602 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -3.698 3.773 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -1.029 4.717 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -1.232 4.312 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 495 0.024 3.499 6.846 1.00 0.00 H new ATOM 621 N GLU A 496 -0.726 2.223 9.513 1.00 0.00 N ATOM 622 CA GLU A 496 -0.561 2.755 10.861 1.00 0.00 C ATOM 623 C GLU A 496 0.271 4.034 10.843 1.00 0.00 C ATOM 624 O GLU A 496 0.891 4.368 9.834 1.00 0.00 O ATOM 625 CB GLU A 496 0.101 1.715 11.767 1.00 0.00 C ATOM 626 CG GLU A 496 -0.657 0.400 11.838 1.00 0.00 C ATOM 627 CD GLU A 496 -0.661 -0.343 10.516 1.00 0.00 C ATOM 628 OE1 GLU A 496 0.299 -0.173 9.736 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.624 -1.096 10.263 1.00 0.00 O ATOM 0 H GLU A 496 0.121 1.821 9.111 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.550 2.991 11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.112 1.523 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.193 2.127 12.772 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -0.209 -0.232 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -1.685 0.593 12.145 1.00 0.00 H new ATOM 636 N GLU A 497 0.279 4.744 11.966 1.00 0.00 N ATOM 637 CA GLU A 497 1.034 5.987 12.079 1.00 0.00 C ATOM 638 C GLU A 497 2.535 5.721 11.992 1.00 0.00 C ATOM 639 O GLU A 497 3.318 6.619 11.687 1.00 0.00 O ATOM 640 CB GLU A 497 0.705 6.692 13.396 1.00 0.00 C ATOM 641 CG GLU A 497 1.078 8.165 13.408 1.00 0.00 C ATOM 642 CD GLU A 497 0.583 8.882 14.649 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.635 8.834 14.917 1.00 0.00 O ATOM 644 OE2 GLU A 497 1.416 9.491 15.352 1.00 0.00 O ATOM 0 H GLU A 497 -0.228 4.480 12.811 1.00 0.00 H new ATOM 0 HA GLU A 497 0.748 6.633 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -0.363 6.595 13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.227 6.187 14.209 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.162 8.262 13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 497 0.663 8.648 12.524 1.00 0.00 H new ATOM 651 N ASN A 498 2.927 4.481 12.263 1.00 0.00 N ATOM 652 CA ASN A 498 4.333 4.096 12.217 1.00 0.00 C ATOM 653 C ASN A 498 4.684 3.479 10.867 1.00 0.00 C ATOM 654 O ASN A 498 5.469 4.040 10.102 1.00 0.00 O ATOM 655 CB ASN A 498 4.649 3.106 13.340 1.00 0.00 C ATOM 656 CG ASN A 498 4.790 3.787 14.688 1.00 0.00 C ATOM 657 OD1 ASN A 498 3.886 3.730 15.522 1.00 0.00 O ATOM 658 ND2 ASN A 498 5.928 4.435 14.908 1.00 0.00 N ATOM 0 H ASN A 498 2.291 3.725 12.517 1.00 0.00 H new ATOM 0 HA ASN A 498 4.935 4.995 12.353 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.858 2.358 13.395 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.572 2.577 13.105 1.00 0.00 H new ATOM 0 HD21 ASN A 498 6.080 4.912 15.797 1.00 0.00 H new ATOM 0 HD22 ASN A 498 6.650 4.456 14.188 1.00 0.00 H new ATOM 665 N PHE A 499 4.097 2.322 10.580 1.00 0.00 N ATOM 666 CA PHE A 499 4.348 1.629 9.322 1.00 0.00 C ATOM 667 C PHE A 499 3.043 1.365 8.577 1.00 0.00 C ATOM 668 O PHE A 499 1.955 1.611 9.100 1.00 0.00 O ATOM 669 CB PHE A 499 5.077 0.308 9.580 1.00 0.00 C ATOM 670 CG PHE A 499 4.749 -0.307 10.910 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.648 -1.136 11.053 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.543 -0.058 12.018 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.344 -1.703 12.276 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.245 -0.623 13.244 1.00 0.00 C ATOM 675 CZ PHE A 499 4.144 -1.447 13.372 1.00 0.00 C ATOM 0 H PHE A 499 3.444 1.845 11.202 1.00 0.00 H new ATOM 0 HA PHE A 499 4.977 2.269 8.703 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.823 -0.398 8.790 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.152 0.478 9.522 1.00 0.00 H new ATOM 0 HD1 PHE A 499 3.020 -1.341 10.199 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.405 0.585 11.923 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.482 -2.346 12.375 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.872 -0.420 14.100 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.909 -1.891 14.328 1.00 0.00 H new ATOM 685 N VAL A 500 3.159 0.864 7.351 1.00 0.00 N ATOM 686 CA VAL A 500 1.989 0.566 6.533 1.00 0.00 C ATOM 687 C VAL A 500 1.906 -0.923 6.215 1.00 0.00 C ATOM 688 O VAL A 500 2.913 -1.557 5.898 1.00 0.00 O ATOM 689 CB VAL A 500 2.010 1.361 5.214 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.710 1.161 4.450 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.256 2.837 5.486 1.00 0.00 C ATOM 0 H VAL A 500 4.051 0.656 6.903 1.00 0.00 H new ATOM 0 HA VAL A 500 1.114 0.860 7.112 1.00 0.00 H new ATOM 0 HB VAL A 500 2.828 0.987 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.743 1.730 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.580 0.103 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.126 1.507 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.268 3.384 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.461 3.227 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.216 2.959 5.988 1.00 0.00 H new ATOM 701 N ILE A 501 0.700 -1.474 6.302 1.00 0.00 N ATOM 702 CA ILE A 501 0.485 -2.888 6.021 1.00 0.00 C ATOM 703 C ILE A 501 -0.224 -3.083 4.686 1.00 0.00 C ATOM 704 O ILE A 501 -1.336 -2.593 4.484 1.00 0.00 O ATOM 705 CB ILE A 501 -0.342 -3.563 7.132 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.144 -3.105 8.509 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.256 -5.077 7.010 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.511 -3.639 8.875 1.00 0.00 C ATOM 0 H ILE A 501 -0.143 -0.963 6.565 1.00 0.00 H new ATOM 0 HA ILE A 501 1.470 -3.354 5.977 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.385 -3.268 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.170 -2.016 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.575 -3.423 9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.845 -5.540 7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.645 -5.387 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.784 -5.391 7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.792 -3.274 9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.485 -4.729 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.243 -3.299 8.142 1.00 0.00 H new ATOM 720 N LEU A 502 0.425 -3.801 3.776 1.00 0.00 N ATOM 721 CA LEU A 502 -0.144 -4.063 2.459 1.00 0.00 C ATOM 722 C LEU A 502 -0.328 -5.560 2.232 1.00 0.00 C ATOM 723 O LEU A 502 0.522 -6.365 2.614 1.00 0.00 O ATOM 724 CB LEU A 502 0.754 -3.477 1.368 1.00 0.00 C ATOM 725 CG LEU A 502 2.154 -4.082 1.254 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.750 -3.794 -0.115 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.058 -3.548 2.355 1.00 0.00 C ATOM 0 H LEU A 502 1.346 -4.212 3.926 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.122 -3.585 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.250 -3.594 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 502 0.856 -2.406 1.546 1.00 0.00 H new ATOM 0 HG LEU A 502 2.072 -5.163 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.746 -4.232 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.114 -4.227 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.818 -2.716 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.050 -3.990 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.134 -2.464 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.639 -3.807 3.327 1.00 0.00 H new ATOM 739 N PHE A 503 -1.441 -5.926 1.607 1.00 0.00 N ATOM 740 CA PHE A 503 -1.736 -7.327 1.328 1.00 0.00 C ATOM 741 C PHE A 503 -0.955 -7.815 0.112 1.00 0.00 C ATOM 742 O PHE A 503 -0.969 -7.182 -0.944 1.00 0.00 O ATOM 743 CB PHE A 503 -3.237 -7.518 1.095 1.00 0.00 C ATOM 744 CG PHE A 503 -3.603 -8.907 0.658 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.721 -9.931 1.584 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.831 -9.189 -0.679 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.058 -11.210 1.184 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.168 -10.467 -1.085 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.283 -11.478 -0.152 1.00 0.00 C ATOM 0 H PHE A 503 -2.154 -5.272 1.284 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.432 -7.916 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.772 -7.282 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.573 -6.808 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.548 -9.727 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.744 -8.401 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.145 -12.000 1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.341 -10.674 -2.131 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.548 -12.477 -0.466 1.00 0.00 H new ATOM 759 N SER A 504 -0.274 -8.946 0.268 1.00 0.00 N ATOM 760 CA SER A 504 0.517 -9.518 -0.815 1.00 0.00 C ATOM 761 C SER A 504 -0.361 -10.345 -1.751 1.00 0.00 C ATOM 762 O SER A 504 -1.235 -11.088 -1.305 1.00 0.00 O ATOM 763 CB SER A 504 1.640 -10.389 -0.249 1.00 0.00 C ATOM 764 OG SER A 504 2.279 -11.128 -1.276 1.00 0.00 O ATOM 0 H SER A 504 -0.254 -9.484 1.134 1.00 0.00 H new ATOM 0 HA SER A 504 0.954 -8.698 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.371 -9.760 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.234 -11.073 0.496 1.00 0.00 H new ATOM 0 HG SER A 504 2.994 -11.675 -0.889 1.00 0.00 H new ATOM 770 N ASP A 505 -0.121 -10.209 -3.050 1.00 0.00 N ATOM 771 CA ASP A 505 -0.887 -10.943 -4.050 1.00 0.00 C ATOM 772 C ASP A 505 -0.225 -12.280 -4.369 1.00 0.00 C ATOM 773 O ASP A 505 -0.698 -13.030 -5.224 1.00 0.00 O ATOM 774 CB ASP A 505 -1.028 -10.112 -5.327 1.00 0.00 C ATOM 775 CG ASP A 505 -1.644 -10.900 -6.466 1.00 0.00 C ATOM 776 OD1 ASP A 505 -2.877 -11.097 -6.453 1.00 0.00 O ATOM 777 OD2 ASP A 505 -0.892 -11.320 -7.371 1.00 0.00 O ATOM 0 H ASP A 505 0.598 -9.597 -3.435 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.878 -11.138 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.643 -9.236 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.046 -9.748 -5.630 1.00 0.00 H new ATOM 782 N LEU A 506 0.871 -12.571 -3.677 1.00 0.00 N ATOM 783 CA LEU A 506 1.599 -13.817 -3.887 1.00 0.00 C ATOM 784 C LEU A 506 1.124 -14.895 -2.918 1.00 0.00 C ATOM 785 O LEU A 506 0.508 -15.882 -3.322 1.00 0.00 O ATOM 786 CB LEU A 506 3.102 -13.588 -3.715 1.00 0.00 C ATOM 787 CG LEU A 506 3.757 -12.647 -4.727 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.109 -12.173 -4.217 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.904 -13.333 -6.077 1.00 0.00 C ATOM 0 H LEU A 506 1.275 -11.961 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 506 1.403 -14.156 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.277 -13.192 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.605 -14.554 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 506 3.114 -11.776 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.560 -11.504 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 506 4.976 -11.642 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.761 -13.033 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 506 4.372 -12.648 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.525 -14.222 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.920 -13.621 -6.448 1.00 0.00 H new ATOM 801 N THR A 507 1.412 -14.699 -1.635 1.00 0.00 N ATOM 802 CA THR A 507 1.014 -15.653 -0.608 1.00 0.00 C ATOM 803 C THR A 507 -0.109 -15.093 0.257 1.00 0.00 C ATOM 804 O THR A 507 -0.234 -15.440 1.431 1.00 0.00 O ATOM 805 CB THR A 507 2.201 -16.034 0.297 1.00 0.00 C ATOM 806 OG1 THR A 507 2.911 -14.856 0.696 1.00 0.00 O ATOM 807 CG2 THR A 507 3.148 -16.982 -0.424 1.00 0.00 C ATOM 0 H THR A 507 1.920 -13.888 -1.283 1.00 0.00 H new ATOM 0 HA THR A 507 0.661 -16.545 -1.126 1.00 0.00 H new ATOM 0 HB THR A 507 1.809 -16.538 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.663 -15.107 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 507 3.978 -17.237 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 507 2.613 -17.890 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 507 3.532 -16.499 -1.322 1.00 0.00 H new ATOM 815 N MET A 508 -0.926 -14.224 -0.331 1.00 0.00 N ATOM 816 CA MET A 508 -2.040 -13.617 0.387 1.00 0.00 C ATOM 817 C MET A 508 -1.682 -13.383 1.851 1.00 0.00 C ATOM 818 O MET A 508 -2.435 -13.754 2.752 1.00 0.00 O ATOM 819 CB MET A 508 -3.282 -14.506 0.290 1.00 0.00 C ATOM 820 CG MET A 508 -3.676 -14.846 -1.138 1.00 0.00 C ATOM 821 SD MET A 508 -2.854 -16.329 -1.752 1.00 0.00 S ATOM 822 CE MET A 508 -4.252 -17.430 -1.957 1.00 0.00 C ATOM 0 H MET A 508 -0.837 -13.925 -1.302 1.00 0.00 H new ATOM 0 HA MET A 508 -2.254 -12.653 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 508 -3.101 -15.431 0.838 1.00 0.00 H new ATOM 0 HB3 MET A 508 -4.117 -14.004 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 508 -4.756 -14.986 -1.189 1.00 0.00 H new ATOM 0 HG3 MET A 508 -3.433 -14.005 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 508 -3.905 -18.393 -2.332 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.747 -17.572 -0.996 1.00 0.00 H new ATOM 0 HE3 MET A 508 -4.956 -16.996 -2.667 1.00 0.00 H new ATOM 832 N HIS A 509 -0.527 -12.766 2.082 1.00 0.00 N ATOM 833 CA HIS A 509 -0.069 -12.483 3.437 1.00 0.00 C ATOM 834 C HIS A 509 0.033 -10.979 3.673 1.00 0.00 C ATOM 835 O HIS A 509 0.128 -10.199 2.726 1.00 0.00 O ATOM 836 CB HIS A 509 1.287 -13.143 3.688 1.00 0.00 C ATOM 837 CG HIS A 509 1.202 -14.623 3.905 1.00 0.00 C ATOM 838 ND1 HIS A 509 0.007 -15.293 4.064 1.00 0.00 N ATOM 839 CD2 HIS A 509 2.172 -15.563 3.988 1.00 0.00 C ATOM 840 CE1 HIS A 509 0.246 -16.580 4.236 1.00 0.00 C ATOM 841 NE2 HIS A 509 1.552 -16.771 4.194 1.00 0.00 N ATOM 0 H HIS A 509 0.108 -12.453 1.348 1.00 0.00 H new ATOM 0 HA HIS A 509 -0.799 -12.894 4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.941 -12.946 2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.750 -12.682 4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 509 3.236 -15.395 3.907 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -0.500 -17.347 4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 509 2.024 -17.669 4.298 1.00 0.00 H new ATOM 849 N GLU A 510 0.013 -10.581 4.941 1.00 0.00 N ATOM 850 CA GLU A 510 0.101 -9.170 5.299 1.00 0.00 C ATOM 851 C GLU A 510 1.546 -8.772 5.589 1.00 0.00 C ATOM 852 O GLU A 510 2.161 -9.270 6.533 1.00 0.00 O ATOM 853 CB GLU A 510 -0.775 -8.875 6.518 1.00 0.00 C ATOM 854 CG GLU A 510 -2.258 -8.799 6.197 1.00 0.00 C ATOM 855 CD GLU A 510 -3.130 -8.956 7.427 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.962 -8.167 8.380 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.982 -9.870 7.437 1.00 0.00 O ATOM 0 H GLU A 510 -0.063 -11.215 5.737 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.257 -8.583 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.613 -9.650 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.459 -7.931 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.475 -7.842 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.510 -9.577 5.476 1.00 0.00 H new ATOM 864 N LEU A 511 2.081 -7.873 4.771 1.00 0.00 N ATOM 865 CA LEU A 511 3.453 -7.407 4.939 1.00 0.00 C ATOM 866 C LEU A 511 3.488 -6.062 5.658 1.00 0.00 C ATOM 867 O LEU A 511 2.674 -5.179 5.386 1.00 0.00 O ATOM 868 CB LEU A 511 4.142 -7.289 3.578 1.00 0.00 C ATOM 869 CG LEU A 511 4.293 -8.588 2.787 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.772 -8.300 1.372 1.00 0.00 C ATOM 871 CD2 LEU A 511 5.251 -9.535 3.494 1.00 0.00 C ATOM 0 H LEU A 511 1.586 -7.452 3.985 1.00 0.00 H new ATOM 0 HA LEU A 511 3.986 -8.137 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.581 -6.580 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.134 -6.863 3.731 1.00 0.00 H new ATOM 0 HG LEU A 511 3.317 -9.069 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.874 -9.237 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.049 -7.661 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.738 -7.796 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 511 5.346 -10.454 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 511 6.229 -9.062 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 511 4.866 -9.768 4.487 1.00 0.00 H new ATOM 883 N LYS A 512 4.438 -5.912 6.575 1.00 0.00 N ATOM 884 CA LYS A 512 4.583 -4.674 7.331 1.00 0.00 C ATOM 885 C LYS A 512 5.905 -3.988 7.003 1.00 0.00 C ATOM 886 O LYS A 512 6.975 -4.473 7.369 1.00 0.00 O ATOM 887 CB LYS A 512 4.502 -4.957 8.833 1.00 0.00 C ATOM 888 CG LYS A 512 4.927 -3.783 9.697 1.00 0.00 C ATOM 889 CD LYS A 512 6.416 -3.820 9.995 1.00 0.00 C ATOM 890 CE LYS A 512 6.732 -3.185 11.341 1.00 0.00 C ATOM 891 NZ LYS A 512 8.194 -2.976 11.526 1.00 0.00 N ATOM 0 H LYS A 512 5.119 -6.633 6.812 1.00 0.00 H new ATOM 0 HA LYS A 512 3.768 -4.008 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.479 -5.233 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.131 -5.816 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 512 4.679 -2.850 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.367 -3.797 10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.764 -4.853 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.959 -3.296 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.215 -2.229 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.352 -3.821 12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.368 -2.542 12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 8.685 -3.891 11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 8.552 -2.349 10.778 1.00 0.00 H new ATOM 905 N VAL A 513 5.823 -2.855 6.313 1.00 0.00 N ATOM 906 CA VAL A 513 7.013 -2.100 5.938 1.00 0.00 C ATOM 907 C VAL A 513 6.795 -0.603 6.122 1.00 0.00 C ATOM 908 O VAL A 513 5.694 -0.094 5.909 1.00 0.00 O ATOM 909 CB VAL A 513 7.414 -2.374 4.476 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.814 -1.848 4.199 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.324 -3.861 4.169 1.00 0.00 C ATOM 0 H VAL A 513 4.945 -2.440 6.002 1.00 0.00 H new ATOM 0 HA VAL A 513 7.817 -2.430 6.595 1.00 0.00 H new ATOM 0 HB VAL A 513 6.718 -1.848 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 513 9.080 -2.051 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.841 -0.773 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.526 -2.343 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.611 -4.036 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.996 -4.410 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.301 -4.204 4.326 1.00 0.00 H new ATOM 921 N LEU A 514 7.851 0.099 6.518 1.00 0.00 N ATOM 922 CA LEU A 514 7.776 1.540 6.730 1.00 0.00 C ATOM 923 C LEU A 514 7.430 2.265 5.433 1.00 0.00 C ATOM 924 O LEU A 514 7.720 1.793 4.333 1.00 0.00 O ATOM 925 CB LEU A 514 9.103 2.064 7.281 1.00 0.00 C ATOM 926 CG LEU A 514 9.521 1.524 8.649 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.937 1.966 8.987 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.547 1.982 9.724 1.00 0.00 C ATOM 0 H LEU A 514 8.769 -0.306 6.699 1.00 0.00 H new ATOM 0 HA LEU A 514 6.986 1.734 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.890 1.829 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.044 3.151 7.344 1.00 0.00 H new ATOM 0 HG LEU A 514 9.501 0.435 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.218 1.572 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.626 1.588 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.983 3.055 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.861 1.588 10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.534 3.071 9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.548 1.615 9.490 1.00 0.00 H new ATOM 940 N PRO A 515 6.796 3.440 5.562 1.00 0.00 N ATOM 941 CA PRO A 515 6.399 4.255 4.410 1.00 0.00 C ATOM 942 C PRO A 515 7.597 4.869 3.694 1.00 0.00 C ATOM 943 O PRO A 515 7.467 5.406 2.594 1.00 0.00 O ATOM 944 CB PRO A 515 5.531 5.351 5.034 1.00 0.00 C ATOM 945 CG PRO A 515 6.003 5.452 6.443 1.00 0.00 C ATOM 946 CD PRO A 515 6.418 4.062 6.841 1.00 0.00 C ATOM 0 HA PRO A 515 5.886 3.665 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.650 6.298 4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.473 5.092 4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.838 6.147 6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.212 5.825 7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.252 4.077 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.604 3.523 7.325 1.00 0.00 H new ATOM 954 N ARG A 516 8.764 4.785 4.324 1.00 0.00 N ATOM 955 CA ARG A 516 9.986 5.333 3.747 1.00 0.00 C ATOM 956 C ARG A 516 10.542 4.405 2.670 1.00 0.00 C ATOM 957 O ARG A 516 11.337 4.822 1.828 1.00 0.00 O ATOM 958 CB ARG A 516 11.036 5.554 4.837 1.00 0.00 C ATOM 959 CG ARG A 516 11.102 4.428 5.856 1.00 0.00 C ATOM 960 CD ARG A 516 12.359 4.520 6.707 1.00 0.00 C ATOM 961 NE ARG A 516 12.209 5.474 7.803 1.00 0.00 N ATOM 962 CZ ARG A 516 12.422 6.779 7.676 1.00 0.00 C ATOM 963 NH1 ARG A 516 12.790 7.283 6.507 1.00 0.00 N ATOM 964 NH2 ARG A 516 12.265 7.582 8.720 1.00 0.00 N ATOM 0 H ARG A 516 8.889 4.343 5.234 1.00 0.00 H new ATOM 0 HA ARG A 516 9.743 6.291 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 516 12.014 5.668 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.819 6.489 5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.223 4.466 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.080 3.468 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.595 3.536 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.200 4.817 6.080 1.00 0.00 H new ATOM 0 HE ARG A 516 11.925 5.119 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 516 12.910 6.668 5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 516 12.953 8.285 6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 516 11.981 7.197 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 516 12.429 8.584 8.622 1.00 0.00 H new ATOM 978 N ASP A 517 10.119 3.147 2.705 1.00 0.00 N ATOM 979 CA ASP A 517 10.573 2.160 1.733 1.00 0.00 C ATOM 980 C ASP A 517 9.430 1.731 0.818 1.00 0.00 C ATOM 981 O ASP A 517 9.477 0.663 0.207 1.00 0.00 O ATOM 982 CB ASP A 517 11.157 0.940 2.447 1.00 0.00 C ATOM 983 CG ASP A 517 12.169 1.320 3.510 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.789 2.396 3.380 1.00 0.00 O ATOM 985 OD2 ASP A 517 12.342 0.541 4.471 1.00 0.00 O ATOM 0 H ASP A 517 9.462 2.786 3.397 1.00 0.00 H new ATOM 0 HA ASP A 517 11.350 2.620 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.349 0.370 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.632 0.287 1.715 1.00 0.00 H new ATOM 990 N LEU A 518 8.403 2.569 0.731 1.00 0.00 N ATOM 991 CA LEU A 518 7.246 2.277 -0.108 1.00 0.00 C ATOM 992 C LEU A 518 7.048 3.362 -1.161 1.00 0.00 C ATOM 993 O LEU A 518 7.580 4.465 -1.035 1.00 0.00 O ATOM 994 CB LEU A 518 5.988 2.148 0.752 1.00 0.00 C ATOM 995 CG LEU A 518 5.936 0.942 1.690 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.545 0.789 2.286 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.345 -0.325 0.954 1.00 0.00 C ATOM 0 H LEU A 518 8.348 3.456 1.231 1.00 0.00 H new ATOM 0 HA LEU A 518 7.428 1.331 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.887 3.053 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.123 2.106 0.090 1.00 0.00 H new ATOM 0 HG LEU A 518 6.642 1.109 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.527 -0.075 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.290 1.686 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.820 0.645 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.302 -1.173 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.665 -0.497 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.362 -0.214 0.577 1.00 0.00 H new ATOM 1009 N GLN A 519 6.278 3.043 -2.196 1.00 0.00 N ATOM 1010 CA GLN A 519 6.009 3.992 -3.269 1.00 0.00 C ATOM 1011 C GLN A 519 4.637 3.743 -3.885 1.00 0.00 C ATOM 1012 O GLN A 519 4.212 2.597 -4.039 1.00 0.00 O ATOM 1013 CB GLN A 519 7.090 3.895 -4.347 1.00 0.00 C ATOM 1014 CG GLN A 519 8.494 4.156 -3.826 1.00 0.00 C ATOM 1015 CD GLN A 519 9.427 4.682 -4.900 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.424 4.198 -6.032 1.00 0.00 O ATOM 1017 NE2 GLN A 519 10.231 5.679 -4.549 1.00 0.00 N ATOM 0 H GLN A 519 5.829 2.135 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 519 6.019 4.995 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.056 2.902 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 519 6.867 4.610 -5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.446 4.875 -3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 519 8.903 3.233 -3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 519 10.200 6.049 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 519 10.880 6.074 -5.229 1.00 0.00 H new ATOM 1026 N LEU A 520 3.946 4.823 -4.235 1.00 0.00 N ATOM 1027 CA LEU A 520 2.620 4.721 -4.835 1.00 0.00 C ATOM 1028 C LEU A 520 2.714 4.296 -6.296 1.00 0.00 C ATOM 1029 O LEU A 520 3.737 4.503 -6.949 1.00 0.00 O ATOM 1030 CB LEU A 520 1.887 6.060 -4.728 1.00 0.00 C ATOM 1031 CG LEU A 520 1.046 6.266 -3.467 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.254 7.561 -3.560 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.113 5.083 -3.250 1.00 0.00 C ATOM 0 H LEU A 520 4.282 5.778 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 520 2.059 3.961 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.625 6.861 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.236 6.166 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 520 1.718 6.335 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.338 7.691 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.941 8.401 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.409 7.521 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.478 5.246 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.553 4.983 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.701 4.172 -3.139 1.00 0.00 H new