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 504 SER OG : rot -154:sc= 0.914 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= -0.0301 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 : no HD1:sc= -2.52! K(o=-2.5!,f=-0.96) 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 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-4.1!) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.085 6.857 1.260 1.00 0.00 N ATOM 244 CA PHE A 472 -0.330 5.459 1.254 1.00 0.00 C ATOM 245 C PHE A 472 -1.603 5.266 2.074 1.00 0.00 C ATOM 246 O PHE A 472 -1.558 5.187 3.302 1.00 0.00 O ATOM 247 CB PHE A 472 0.786 4.570 1.806 1.00 0.00 C ATOM 248 CG PHE A 472 2.129 4.843 1.191 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.232 5.245 -0.130 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.289 4.696 1.935 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.466 5.497 -0.699 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.526 4.947 1.372 1.00 0.00 C ATOM 253 CZ PHE A 472 4.615 5.347 0.053 1.00 0.00 C ATOM 0 HA PHE A 472 -0.536 5.172 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.853 4.713 2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.524 3.525 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.337 5.363 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.226 4.382 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.532 5.811 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.422 4.830 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.581 5.542 -0.389 1.00 0.00 H new ATOM 263 N LYS A 473 -2.737 5.191 1.386 1.00 0.00 N ATOM 264 CA LYS A 473 -4.023 5.006 2.048 1.00 0.00 C ATOM 265 C LYS A 473 -4.703 3.727 1.569 1.00 0.00 C ATOM 266 O LYS A 473 -4.683 3.410 0.380 1.00 0.00 O ATOM 267 CB LYS A 473 -4.932 6.209 1.785 1.00 0.00 C ATOM 268 CG LYS A 473 -4.416 7.505 2.386 1.00 0.00 C ATOM 269 CD LYS A 473 -5.382 8.653 2.148 1.00 0.00 C ATOM 270 CE LYS A 473 -6.597 8.556 3.057 1.00 0.00 C ATOM 271 NZ LYS A 473 -7.741 9.360 2.542 1.00 0.00 N ATOM 0 H LYS A 473 -2.792 5.256 0.370 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.843 4.921 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.047 6.338 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.923 6.000 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.262 7.374 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -3.446 7.748 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -4.872 9.601 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.704 8.649 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -6.899 7.513 3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -6.331 8.901 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -8.550 9.268 3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -7.462 10.360 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -8.011 9.015 1.599 1.00 0.00 H new ATOM 285 N MET A 474 -5.304 2.997 2.503 1.00 0.00 N ATOM 286 CA MET A 474 -5.992 1.754 2.175 1.00 0.00 C ATOM 287 C MET A 474 -6.729 1.875 0.845 1.00 0.00 C ATOM 288 O MET A 474 -7.442 2.849 0.605 1.00 0.00 O ATOM 289 CB MET A 474 -6.978 1.383 3.285 1.00 0.00 C ATOM 290 CG MET A 474 -7.839 0.175 2.955 1.00 0.00 C ATOM 291 SD MET A 474 -9.395 0.162 3.865 1.00 0.00 S ATOM 292 CE MET A 474 -10.563 0.471 2.543 1.00 0.00 C ATOM 0 H MET A 474 -5.328 3.245 3.492 1.00 0.00 H new ATOM 0 HA MET A 474 -5.243 0.967 2.086 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.422 1.183 4.201 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.626 2.237 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 474 -8.048 0.164 1.885 1.00 0.00 H new ATOM 0 HG3 MET A 474 -7.283 -0.735 3.180 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.574 0.492 2.949 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.339 1.430 2.076 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.487 -0.321 1.798 1.00 0.00 H new ATOM 302 N GLY A 475 -6.551 0.879 -0.018 1.00 0.00 N ATOM 303 CA GLY A 475 -7.205 0.895 -1.314 1.00 0.00 C ATOM 304 C GLY A 475 -6.232 1.127 -2.452 1.00 0.00 C ATOM 305 O GLY A 475 -6.401 0.583 -3.543 1.00 0.00 O ATOM 0 H GLY A 475 -5.966 0.062 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.721 -0.053 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -7.964 1.677 -1.325 1.00 0.00 H new ATOM 309 N ASP A 476 -5.210 1.937 -2.199 1.00 0.00 N ATOM 310 CA ASP A 476 -4.206 2.241 -3.212 1.00 0.00 C ATOM 311 C ASP A 476 -3.188 1.110 -3.324 1.00 0.00 C ATOM 312 O ASP A 476 -3.083 0.265 -2.434 1.00 0.00 O ATOM 313 CB ASP A 476 -3.494 3.553 -2.877 1.00 0.00 C ATOM 314 CG ASP A 476 -4.352 4.768 -3.169 1.00 0.00 C ATOM 315 OD1 ASP A 476 -4.434 5.168 -4.349 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.943 5.319 -2.216 1.00 0.00 O ATOM 0 H ASP A 476 -5.055 2.395 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.713 2.346 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.216 3.553 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.570 3.618 -3.451 1.00 0.00 H new ATOM 321 N HIS A 477 -2.442 1.100 -4.424 1.00 0.00 N ATOM 322 CA HIS A 477 -1.433 0.072 -4.653 1.00 0.00 C ATOM 323 C HIS A 477 -0.039 0.595 -4.320 1.00 0.00 C ATOM 324 O HIS A 477 0.415 1.589 -4.887 1.00 0.00 O ATOM 325 CB HIS A 477 -1.478 -0.403 -6.106 1.00 0.00 C ATOM 326 CG HIS A 477 -0.705 -1.662 -6.349 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.252 -1.779 -7.335 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.751 -2.863 -5.727 1.00 0.00 C ATOM 329 CE1 HIS A 477 0.760 -2.998 -7.309 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.169 -3.676 -6.342 1.00 0.00 N ATOM 0 H HIS A 477 -2.517 1.791 -5.170 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.653 -0.770 -3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.517 -0.563 -6.395 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.085 0.384 -6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -1.392 -3.132 -4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.528 -3.376 -7.967 1.00 0.00 H new ATOM 0 HE2 HIS A 477 0.364 -4.646 -6.093 1.00 0.00 H new ATOM 338 N VAL A 478 0.637 -0.081 -3.395 1.00 0.00 N ATOM 339 CA VAL A 478 1.979 0.316 -2.987 1.00 0.00 C ATOM 340 C VAL A 478 3.005 -0.744 -3.370 1.00 0.00 C ATOM 341 O VAL A 478 2.704 -1.938 -3.392 1.00 0.00 O ATOM 342 CB VAL A 478 2.054 0.561 -1.468 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.303 1.831 -1.095 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.505 -0.636 -0.707 1.00 0.00 C ATOM 0 H VAL A 478 0.277 -0.906 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 478 2.207 1.245 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 478 3.100 0.690 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.367 1.988 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.747 2.681 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.257 1.734 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.566 -0.445 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.465 -0.800 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.090 -1.522 -0.951 1.00 0.00 H new ATOM 354 N LYS A 479 4.221 -0.300 -3.673 1.00 0.00 N ATOM 355 CA LYS A 479 5.295 -1.210 -4.054 1.00 0.00 C ATOM 356 C LYS A 479 6.510 -1.027 -3.149 1.00 0.00 C ATOM 357 O LYS A 479 6.831 0.090 -2.742 1.00 0.00 O ATOM 358 CB LYS A 479 5.693 -0.978 -5.513 1.00 0.00 C ATOM 359 CG LYS A 479 7.140 -1.329 -5.812 1.00 0.00 C ATOM 360 CD LYS A 479 7.355 -1.598 -7.292 1.00 0.00 C ATOM 361 CE LYS A 479 8.822 -1.846 -7.607 1.00 0.00 C ATOM 362 NZ LYS A 479 9.012 -2.372 -8.987 1.00 0.00 N ATOM 0 H LYS A 479 4.487 0.685 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 479 4.930 -2.231 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.044 -1.571 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.522 0.069 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.787 -0.512 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.428 -2.208 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.766 -2.463 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.996 -0.749 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.380 -0.917 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.233 -2.555 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.025 -2.528 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.500 -3.272 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.643 -1.684 -9.674 1.00 0.00 H new ATOM 376 N VAL A 480 7.182 -2.131 -2.839 1.00 0.00 N ATOM 377 CA VAL A 480 8.363 -2.092 -1.985 1.00 0.00 C ATOM 378 C VAL A 480 9.639 -1.994 -2.815 1.00 0.00 C ATOM 379 O VAL A 480 9.892 -2.831 -3.681 1.00 0.00 O ATOM 380 CB VAL A 480 8.445 -3.337 -1.083 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.584 -3.200 -0.084 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.122 -3.563 -0.366 1.00 0.00 C ATOM 0 H VAL A 480 6.929 -3.063 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 480 8.271 -1.204 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 480 8.646 -4.205 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.626 -4.090 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.527 -3.090 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.417 -2.322 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.198 -4.447 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.889 -2.694 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.330 -3.710 -1.101 1.00 0.00 H new ATOM 392 N ILE A 481 10.438 -0.968 -2.543 1.00 0.00 N ATOM 393 CA ILE A 481 11.688 -0.763 -3.263 1.00 0.00 C ATOM 394 C ILE A 481 12.890 -1.096 -2.386 1.00 0.00 C ATOM 395 O ILE A 481 13.965 -1.423 -2.886 1.00 0.00 O ATOM 396 CB ILE A 481 11.818 0.688 -3.763 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.783 1.662 -2.583 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.709 1.009 -4.754 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.211 3.067 -2.945 1.00 0.00 C ATOM 0 H ILE A 481 10.242 -0.266 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 481 11.671 -1.435 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 481 12.776 0.796 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.772 1.692 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.432 1.286 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.815 2.038 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.776 0.333 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.741 0.887 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.161 3.702 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.233 3.050 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.547 3.463 -3.713 1.00 0.00 H new ATOM 411 N ALA A 482 12.698 -1.013 -1.073 1.00 0.00 N ATOM 412 CA ALA A 482 13.764 -1.310 -0.125 1.00 0.00 C ATOM 413 C ALA A 482 13.230 -2.076 1.081 1.00 0.00 C ATOM 414 O ALA A 482 12.049 -2.416 1.138 1.00 0.00 O ATOM 415 CB ALA A 482 14.445 -0.025 0.323 1.00 0.00 C ATOM 0 H ALA A 482 11.814 -0.742 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 482 14.497 -1.941 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.239 -0.262 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.870 0.482 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.714 0.626 0.802 1.00 0.00 H new ATOM 421 N GLY A 483 14.108 -2.345 2.042 1.00 0.00 N ATOM 422 CA GLY A 483 13.705 -3.069 3.233 1.00 0.00 C ATOM 423 C GLY A 483 13.897 -4.566 3.094 1.00 0.00 C ATOM 424 O GLY A 483 14.673 -5.024 2.254 1.00 0.00 O ATOM 0 H GLY A 483 15.091 -2.074 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.281 -2.709 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.657 -2.858 3.445 1.00 0.00 H new ATOM 428 N ARG A 484 13.190 -5.332 3.919 1.00 0.00 N ATOM 429 CA ARG A 484 13.289 -6.786 3.886 1.00 0.00 C ATOM 430 C ARG A 484 12.333 -7.372 2.851 1.00 0.00 C ATOM 431 O ARG A 484 12.399 -8.559 2.531 1.00 0.00 O ATOM 432 CB ARG A 484 12.984 -7.371 5.266 1.00 0.00 C ATOM 433 CG ARG A 484 14.069 -7.100 6.296 1.00 0.00 C ATOM 434 CD ARG A 484 13.754 -7.765 7.626 1.00 0.00 C ATOM 435 NE ARG A 484 14.879 -7.694 8.554 1.00 0.00 N ATOM 436 CZ ARG A 484 14.819 -8.109 9.815 1.00 0.00 C ATOM 437 NH1 ARG A 484 13.695 -8.621 10.295 1.00 0.00 N ATOM 438 NH2 ARG A 484 15.886 -8.012 10.597 1.00 0.00 N ATOM 0 H ARG A 484 12.542 -4.969 4.619 1.00 0.00 H new ATOM 0 HA ARG A 484 14.309 -7.049 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.042 -6.958 5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 484 12.845 -8.448 5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 484 15.026 -7.466 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.174 -6.025 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 484 12.884 -7.285 8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.490 -8.809 7.456 1.00 0.00 H new ATOM 0 HE ARG A 484 15.759 -7.305 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 484 12.873 -8.697 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 484 13.652 -8.939 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 484 16.753 -7.619 10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 484 15.840 -8.331 11.565 1.00 0.00 H new ATOM 452 N PHE A 485 11.445 -6.532 2.331 1.00 0.00 N ATOM 453 CA PHE A 485 10.474 -6.967 1.333 1.00 0.00 C ATOM 454 C PHE A 485 10.741 -6.300 -0.013 1.00 0.00 C ATOM 455 O PHE A 485 9.816 -6.033 -0.779 1.00 0.00 O ATOM 456 CB PHE A 485 9.053 -6.647 1.800 1.00 0.00 C ATOM 457 CG PHE A 485 8.730 -7.199 3.159 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.188 -8.467 3.296 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.968 -6.450 4.300 1.00 0.00 C ATOM 460 CE1 PHE A 485 7.889 -8.977 4.545 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.672 -6.955 5.552 1.00 0.00 C ATOM 462 CZ PHE A 485 8.133 -8.221 5.675 1.00 0.00 C ATOM 0 H PHE A 485 11.377 -5.546 2.584 1.00 0.00 H new ATOM 0 HA PHE A 485 10.575 -8.045 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.919 -5.565 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.343 -7.046 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 485 7.997 -9.064 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.390 -5.460 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 485 7.465 -9.966 4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.862 -6.360 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.903 -8.619 6.652 1.00 0.00 H new ATOM 472 N GLU A 486 12.013 -6.032 -0.292 1.00 0.00 N ATOM 473 CA GLU A 486 12.402 -5.395 -1.544 1.00 0.00 C ATOM 474 C GLU A 486 11.904 -6.199 -2.742 1.00 0.00 C ATOM 475 O GLU A 486 12.184 -7.391 -2.862 1.00 0.00 O ATOM 476 CB GLU A 486 13.923 -5.244 -1.615 1.00 0.00 C ATOM 477 CG GLU A 486 14.419 -4.688 -2.939 1.00 0.00 C ATOM 478 CD GLU A 486 15.830 -4.138 -2.849 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.136 -3.452 -1.852 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.627 -4.394 -3.776 1.00 0.00 O ATOM 0 H GLU A 486 12.791 -6.246 0.332 1.00 0.00 H new ATOM 0 HA GLU A 486 11.944 -4.406 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.252 -4.588 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.384 -6.216 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.387 -5.474 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 486 13.746 -3.898 -3.272 1.00 0.00 H new ATOM 487 N GLY A 487 11.163 -5.536 -3.625 1.00 0.00 N ATOM 488 CA GLY A 487 10.637 -6.204 -4.801 1.00 0.00 C ATOM 489 C GLY A 487 9.247 -6.765 -4.576 1.00 0.00 C ATOM 490 O GLY A 487 8.703 -7.458 -5.436 1.00 0.00 O ATOM 0 H GLY A 487 10.918 -4.549 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.611 -5.501 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.310 -7.012 -5.087 1.00 0.00 H new ATOM 494 N ASP A 488 8.671 -6.467 -3.416 1.00 0.00 N ATOM 495 CA ASP A 488 7.336 -6.947 -3.080 1.00 0.00 C ATOM 496 C ASP A 488 6.292 -5.859 -3.314 1.00 0.00 C ATOM 497 O ASP A 488 6.448 -4.726 -2.857 1.00 0.00 O ATOM 498 CB ASP A 488 7.289 -7.411 -1.623 1.00 0.00 C ATOM 499 CG ASP A 488 6.262 -8.502 -1.395 1.00 0.00 C ATOM 500 OD1 ASP A 488 5.054 -8.184 -1.376 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.665 -9.673 -1.236 1.00 0.00 O ATOM 0 H ASP A 488 9.108 -5.895 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 488 7.107 -7.792 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.273 -7.776 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 488 7.060 -6.560 -0.981 1.00 0.00 H new ATOM 506 N THR A 489 5.229 -6.210 -4.029 1.00 0.00 N ATOM 507 CA THR A 489 4.161 -5.264 -4.326 1.00 0.00 C ATOM 508 C THR A 489 2.808 -5.800 -3.871 1.00 0.00 C ATOM 509 O THR A 489 2.563 -7.005 -3.909 1.00 0.00 O ATOM 510 CB THR A 489 4.094 -4.946 -5.832 1.00 0.00 C ATOM 511 OG1 THR A 489 3.778 -6.132 -6.569 1.00 0.00 O ATOM 512 CG2 THR A 489 5.416 -4.375 -6.324 1.00 0.00 C ATOM 0 H THR A 489 5.084 -7.144 -4.414 1.00 0.00 H new ATOM 0 HA THR A 489 4.389 -4.349 -3.779 1.00 0.00 H new ATOM 0 HB THR A 489 3.314 -4.202 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.736 -5.921 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.345 -4.158 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.640 -3.457 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.212 -5.100 -6.154 1.00 0.00 H new ATOM 520 N GLY A 490 1.932 -4.897 -3.442 1.00 0.00 N ATOM 521 CA GLY A 490 0.615 -5.299 -2.986 1.00 0.00 C ATOM 522 C GLY A 490 -0.320 -4.120 -2.800 1.00 0.00 C ATOM 523 O GLY A 490 -0.002 -2.998 -3.197 1.00 0.00 O ATOM 0 H GLY A 490 2.111 -3.894 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.181 -5.993 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.709 -5.836 -2.042 1.00 0.00 H new ATOM 527 N LEU A 491 -1.476 -4.373 -2.197 1.00 0.00 N ATOM 528 CA LEU A 491 -2.461 -3.324 -1.961 1.00 0.00 C ATOM 529 C LEU A 491 -2.466 -2.901 -0.495 1.00 0.00 C ATOM 530 O LEU A 491 -2.018 -3.646 0.377 1.00 0.00 O ATOM 531 CB LEU A 491 -3.855 -3.805 -2.368 1.00 0.00 C ATOM 532 CG LEU A 491 -4.259 -3.539 -3.819 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.582 -4.218 -4.138 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.348 -2.043 -4.083 1.00 0.00 C ATOM 0 H LEU A 491 -1.754 -5.296 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.188 -2.461 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.915 -4.878 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.587 -3.329 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.493 -3.958 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.853 -4.018 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.484 -5.293 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.358 -3.830 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.637 -1.873 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.093 -1.601 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.378 -1.582 -3.896 1.00 0.00 H new ATOM 546 N ILE A 492 -2.975 -1.702 -0.232 1.00 0.00 N ATOM 547 CA ILE A 492 -3.040 -1.182 1.128 1.00 0.00 C ATOM 548 C ILE A 492 -4.345 -1.583 1.807 1.00 0.00 C ATOM 549 O ILE A 492 -5.432 -1.264 1.325 1.00 0.00 O ATOM 550 CB ILE A 492 -2.912 0.352 1.151 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.649 0.792 0.407 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.894 0.861 2.584 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.633 2.264 0.060 1.00 0.00 C ATOM 0 H ILE A 492 -3.348 -1.073 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.201 -1.616 1.673 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.777 0.781 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.778 0.562 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.556 0.210 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.803 1.947 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.820 0.575 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -2.046 0.426 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.709 2.504 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.485 2.496 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.694 2.854 0.974 1.00 0.00 H new ATOM 565 N VAL A 493 -4.231 -2.282 2.932 1.00 0.00 N ATOM 566 CA VAL A 493 -5.401 -2.724 3.680 1.00 0.00 C ATOM 567 C VAL A 493 -5.472 -2.042 5.042 1.00 0.00 C ATOM 568 O VAL A 493 -6.556 -1.731 5.536 1.00 0.00 O ATOM 569 CB VAL A 493 -5.395 -4.251 3.883 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.843 -4.960 2.614 1.00 0.00 C ATOM 571 CG2 VAL A 493 -4.014 -4.726 4.309 1.00 0.00 C ATOM 0 H VAL A 493 -3.339 -2.554 3.345 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.276 -2.447 3.091 1.00 0.00 H new ATOM 0 HB VAL A 493 -6.100 -4.497 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.832 -6.038 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.853 -4.642 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -5.165 -4.709 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -4.028 -5.807 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.287 -4.468 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.736 -4.243 5.246 1.00 0.00 H new ATOM 581 N ARG A 494 -4.310 -1.812 5.644 1.00 0.00 N ATOM 582 CA ARG A 494 -4.240 -1.167 6.950 1.00 0.00 C ATOM 583 C ARG A 494 -3.015 -0.262 7.044 1.00 0.00 C ATOM 584 O ARG A 494 -1.881 -0.714 6.882 1.00 0.00 O ATOM 585 CB ARG A 494 -4.196 -2.219 8.060 1.00 0.00 C ATOM 586 CG ARG A 494 -4.398 -1.644 9.452 1.00 0.00 C ATOM 587 CD ARG A 494 -4.495 -2.742 10.500 1.00 0.00 C ATOM 588 NE ARG A 494 -3.362 -3.661 10.435 1.00 0.00 N ATOM 589 CZ ARG A 494 -3.392 -4.899 10.916 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.491 -5.363 11.494 1.00 0.00 N ATOM 591 NH2 ARG A 494 -2.320 -5.676 10.819 1.00 0.00 N ATOM 0 H ARG A 494 -3.404 -2.063 5.248 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.133 -0.555 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.965 -2.968 7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.235 -2.733 8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.569 -0.979 9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.306 -1.041 9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -4.541 -2.293 11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -5.422 -3.298 10.358 1.00 0.00 H new ATOM 0 HE ARG A 494 -2.501 -3.335 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -5.317 -4.769 11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -4.511 -6.314 11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -1.472 -5.323 10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -2.344 -6.626 11.189 1.00 0.00 H new ATOM 605 N VAL A 495 -3.252 1.019 7.306 1.00 0.00 N ATOM 606 CA VAL A 495 -2.169 1.989 7.422 1.00 0.00 C ATOM 607 C VAL A 495 -2.034 2.493 8.855 1.00 0.00 C ATOM 608 O VAL A 495 -3.005 2.956 9.453 1.00 0.00 O ATOM 609 CB VAL A 495 -2.388 3.191 6.485 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.087 3.951 6.277 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.964 2.730 5.154 1.00 0.00 C ATOM 0 H VAL A 495 -4.184 1.410 7.442 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.252 1.475 7.132 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.105 3.867 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.262 4.797 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.720 4.314 7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.345 3.288 5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.113 3.592 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.273 2.033 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.920 2.234 5.323 1.00 0.00 H new ATOM 621 N GLU A 496 -0.824 2.401 9.398 1.00 0.00 N ATOM 622 CA GLU A 496 -0.564 2.848 10.761 1.00 0.00 C ATOM 623 C GLU A 496 0.349 4.071 10.767 1.00 0.00 C ATOM 624 O GLU A 496 1.090 4.310 9.814 1.00 0.00 O ATOM 625 CB GLU A 496 0.070 1.721 11.579 1.00 0.00 C ATOM 626 CG GLU A 496 -0.398 0.335 11.170 1.00 0.00 C ATOM 627 CD GLU A 496 -0.308 -0.669 12.303 1.00 0.00 C ATOM 628 OE1 GLU A 496 -0.240 -0.239 13.473 1.00 0.00 O ATOM 629 OE2 GLU A 496 -0.306 -1.885 12.018 1.00 0.00 O ATOM 0 H GLU A 496 -0.010 2.021 8.915 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.516 3.124 11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.154 1.774 11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 496 -0.158 1.876 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.429 0.392 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 496 0.204 -0.015 10.331 1.00 0.00 H new ATOM 636 N GLU A 497 0.288 4.843 11.848 1.00 0.00 N ATOM 637 CA GLU A 497 1.108 6.042 11.977 1.00 0.00 C ATOM 638 C GLU A 497 2.592 5.696 11.906 1.00 0.00 C ATOM 639 O GLU A 497 3.389 6.447 11.344 1.00 0.00 O ATOM 640 CB GLU A 497 0.802 6.756 13.296 1.00 0.00 C ATOM 641 CG GLU A 497 1.349 8.172 13.362 1.00 0.00 C ATOM 642 CD GLU A 497 1.137 8.816 14.718 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.026 9.123 15.054 1.00 0.00 O ATOM 644 OE2 GLU A 497 2.134 9.013 15.444 1.00 0.00 O ATOM 0 H GLU A 497 -0.320 4.660 12.646 1.00 0.00 H new ATOM 0 HA GLU A 497 0.868 6.707 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -0.278 6.785 13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.219 6.176 14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.415 8.157 13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 497 0.867 8.780 12.596 1.00 0.00 H new ATOM 651 N ASN A 498 2.956 4.554 12.481 1.00 0.00 N ATOM 652 CA ASN A 498 4.345 4.109 12.484 1.00 0.00 C ATOM 653 C ASN A 498 4.738 3.544 11.122 1.00 0.00 C ATOM 654 O ASN A 498 5.665 4.035 10.478 1.00 0.00 O ATOM 655 CB ASN A 498 4.561 3.052 13.569 1.00 0.00 C ATOM 656 CG ASN A 498 4.941 3.663 14.904 1.00 0.00 C ATOM 657 OD1 ASN A 498 4.086 3.888 15.761 1.00 0.00 O ATOM 658 ND2 ASN A 498 6.228 3.935 15.085 1.00 0.00 N ATOM 0 H ASN A 498 2.309 3.921 12.950 1.00 0.00 H new ATOM 0 HA ASN A 498 4.977 4.972 12.696 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.650 2.465 13.687 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.344 2.364 13.251 1.00 0.00 H new ATOM 0 HD21 ASN A 498 6.544 4.348 15.963 1.00 0.00 H new ATOM 0 HD22 ASN A 498 6.901 3.731 14.346 1.00 0.00 H new ATOM 665 N PHE A 499 4.026 2.508 10.690 1.00 0.00 N ATOM 666 CA PHE A 499 4.301 1.875 9.405 1.00 0.00 C ATOM 667 C PHE A 499 3.004 1.582 8.656 1.00 0.00 C ATOM 668 O PHE A 499 1.910 1.819 9.168 1.00 0.00 O ATOM 669 CB PHE A 499 5.089 0.580 9.609 1.00 0.00 C ATOM 670 CG PHE A 499 4.795 -0.103 10.914 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.579 -0.733 11.123 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.734 -0.114 11.932 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.305 -1.361 12.323 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.466 -0.741 13.135 1.00 0.00 C ATOM 675 CZ PHE A 499 4.251 -1.366 13.330 1.00 0.00 C ATOM 0 H PHE A 499 3.255 2.089 11.210 1.00 0.00 H new ATOM 0 HA PHE A 499 4.898 2.565 8.808 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.864 -0.105 8.791 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.155 0.801 9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.836 -0.733 10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.687 0.373 11.785 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.353 -1.847 12.474 1.00 0.00 H new ATOM 0 HE2 PHE A 499 6.207 -0.742 13.921 1.00 0.00 H new ATOM 0 HZ PHE A 499 4.040 -1.858 14.268 1.00 0.00 H new ATOM 685 N VAL A 500 3.136 1.065 7.438 1.00 0.00 N ATOM 686 CA VAL A 500 1.976 0.739 6.617 1.00 0.00 C ATOM 687 C VAL A 500 1.882 -0.763 6.371 1.00 0.00 C ATOM 688 O VAL A 500 2.892 -1.430 6.146 1.00 0.00 O ATOM 689 CB VAL A 500 2.025 1.468 5.261 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.699 1.327 4.530 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.382 2.933 5.457 1.00 0.00 C ATOM 0 H VAL A 500 4.034 0.863 6.999 1.00 0.00 H new ATOM 0 HA VAL A 500 1.095 1.070 7.167 1.00 0.00 H new ATOM 0 HB VAL A 500 2.800 1.007 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.753 1.849 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.490 0.271 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.098 1.760 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.412 3.433 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.631 3.409 6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.359 3.009 5.935 1.00 0.00 H new ATOM 701 N ILE A 501 0.662 -1.289 6.414 1.00 0.00 N ATOM 702 CA ILE A 501 0.436 -2.712 6.195 1.00 0.00 C ATOM 703 C ILE A 501 -0.248 -2.959 4.854 1.00 0.00 C ATOM 704 O ILE A 501 -1.424 -2.639 4.676 1.00 0.00 O ATOM 705 CB ILE A 501 -0.423 -3.325 7.317 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.088 -2.870 8.686 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.414 -4.843 7.220 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.364 -3.559 9.114 1.00 0.00 C ATOM 0 H ILE A 501 -0.185 -0.751 6.598 1.00 0.00 H new ATOM 0 HA ILE A 501 1.415 -3.191 6.195 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.450 -2.979 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.256 -1.793 8.662 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.684 -3.056 9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.025 -5.262 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.819 -5.148 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.609 -5.208 7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.667 -3.188 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.196 -4.634 9.170 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.150 -3.352 8.388 1.00 0.00 H new ATOM 720 N LEU A 502 0.496 -3.532 3.914 1.00 0.00 N ATOM 721 CA LEU A 502 -0.038 -3.825 2.589 1.00 0.00 C ATOM 722 C LEU A 502 -0.217 -5.327 2.393 1.00 0.00 C ATOM 723 O LEU A 502 0.648 -6.120 2.768 1.00 0.00 O ATOM 724 CB LEU A 502 0.889 -3.265 1.508 1.00 0.00 C ATOM 725 CG LEU A 502 2.187 -4.037 1.272 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.765 -3.705 -0.095 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.197 -3.732 2.369 1.00 0.00 C ATOM 0 H LEU A 502 1.471 -3.803 4.045 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.014 -3.348 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.337 -3.226 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.143 -2.238 1.772 1.00 0.00 H new ATOM 0 HG LEU A 502 1.963 -5.103 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.689 -4.264 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.047 -3.976 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.974 -2.637 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.115 -4.290 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.417 -2.664 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.784 -4.022 3.335 1.00 0.00 H new ATOM 739 N PHE A 503 -1.343 -5.712 1.803 1.00 0.00 N ATOM 740 CA PHE A 503 -1.635 -7.119 1.556 1.00 0.00 C ATOM 741 C PHE A 503 -0.896 -7.619 0.318 1.00 0.00 C ATOM 742 O PHE A 503 -0.914 -6.975 -0.731 1.00 0.00 O ATOM 743 CB PHE A 503 -3.141 -7.328 1.384 1.00 0.00 C ATOM 744 CG PHE A 503 -3.531 -8.767 1.205 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.812 -9.564 2.303 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.616 -9.323 -0.061 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.170 -10.889 2.142 1.00 0.00 C ATOM 748 CE2 PHE A 503 -3.974 -10.648 -0.229 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.252 -11.431 0.874 1.00 0.00 C ATOM 0 H PHE A 503 -2.069 -5.069 1.487 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.292 -7.691 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.657 -6.926 2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.482 -6.757 0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.751 -9.145 3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.400 -8.715 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.385 -11.500 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.036 -11.070 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.533 -12.466 0.745 1.00 0.00 H new ATOM 759 N SER A 504 -0.247 -8.771 0.448 1.00 0.00 N ATOM 760 CA SER A 504 0.502 -9.356 -0.658 1.00 0.00 C ATOM 761 C SER A 504 -0.414 -10.178 -1.560 1.00 0.00 C ATOM 762 O SER A 504 -1.398 -10.758 -1.100 1.00 0.00 O ATOM 763 CB SER A 504 1.635 -10.236 -0.126 1.00 0.00 C ATOM 764 OG SER A 504 2.715 -10.286 -1.042 1.00 0.00 O ATOM 0 H SER A 504 -0.225 -9.318 1.308 1.00 0.00 H new ATOM 0 HA SER A 504 0.928 -8.543 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 504 1.983 -9.847 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.262 -11.244 0.057 1.00 0.00 H new ATOM 0 HG SER A 504 3.218 -11.117 -0.910 1.00 0.00 H new ATOM 770 N ASP A 505 -0.082 -10.223 -2.845 1.00 0.00 N ATOM 771 CA ASP A 505 -0.873 -10.974 -3.813 1.00 0.00 C ATOM 772 C ASP A 505 -0.206 -12.305 -4.144 1.00 0.00 C ATOM 773 O ASP A 505 -0.880 -13.295 -4.434 1.00 0.00 O ATOM 774 CB ASP A 505 -1.068 -10.155 -5.090 1.00 0.00 C ATOM 775 CG ASP A 505 -1.963 -10.853 -6.095 1.00 0.00 C ATOM 776 OD1 ASP A 505 -1.502 -11.830 -6.721 1.00 0.00 O ATOM 777 OD2 ASP A 505 -3.124 -10.422 -6.256 1.00 0.00 O ATOM 0 H ASP A 505 0.729 -9.748 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.848 -11.177 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.499 -9.187 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -0.097 -9.961 -5.546 1.00 0.00 H new ATOM 782 N LEU A 506 1.122 -12.322 -4.101 1.00 0.00 N ATOM 783 CA LEU A 506 1.881 -13.532 -4.398 1.00 0.00 C ATOM 784 C LEU A 506 1.919 -14.461 -3.189 1.00 0.00 C ATOM 785 O LEU A 506 1.725 -15.671 -3.314 1.00 0.00 O ATOM 786 CB LEU A 506 3.306 -13.172 -4.824 1.00 0.00 C ATOM 787 CG LEU A 506 3.473 -12.688 -6.264 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.897 -12.210 -6.505 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.107 -13.793 -7.244 1.00 0.00 C ATOM 0 H LEU A 506 1.695 -11.512 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 506 1.384 -14.052 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.679 -12.396 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.939 -14.048 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 506 2.797 -11.848 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 506 4.997 -11.869 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.124 -11.387 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.592 -13.031 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.232 -13.430 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.757 -14.653 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.069 -14.088 -7.088 1.00 0.00 H new ATOM 801 N THR A 507 2.170 -13.888 -2.016 1.00 0.00 N ATOM 802 CA THR A 507 2.233 -14.663 -0.783 1.00 0.00 C ATOM 803 C THR A 507 0.865 -14.745 -0.115 1.00 0.00 C ATOM 804 O THR A 507 0.672 -15.505 0.833 1.00 0.00 O ATOM 805 CB THR A 507 3.242 -14.058 0.211 1.00 0.00 C ATOM 806 OG1 THR A 507 3.165 -12.629 0.178 1.00 0.00 O ATOM 807 CG2 THR A 507 4.659 -14.503 -0.118 1.00 0.00 C ATOM 0 H THR A 507 2.333 -12.889 -1.894 1.00 0.00 H new ATOM 0 HA THR A 507 2.562 -15.666 -1.057 1.00 0.00 H new ATOM 0 HB THR A 507 2.990 -14.412 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.809 -12.252 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.354 -14.063 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.721 -15.590 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.919 -14.175 -1.125 1.00 0.00 H new ATOM 815 N MET A 508 -0.082 -13.959 -0.617 1.00 0.00 N ATOM 816 CA MET A 508 -1.433 -13.945 -0.068 1.00 0.00 C ATOM 817 C MET A 508 -1.405 -13.730 1.441 1.00 0.00 C ATOM 818 O MET A 508 -2.213 -14.301 2.175 1.00 0.00 O ATOM 819 CB MET A 508 -2.153 -15.254 -0.396 1.00 0.00 C ATOM 820 CG MET A 508 -2.252 -15.537 -1.886 1.00 0.00 C ATOM 821 SD MET A 508 -3.587 -16.680 -2.289 1.00 0.00 S ATOM 822 CE MET A 508 -3.564 -16.610 -4.079 1.00 0.00 C ATOM 0 H MET A 508 0.061 -13.324 -1.402 1.00 0.00 H new ATOM 0 HA MET A 508 -1.975 -13.117 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.629 -16.078 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.157 -15.223 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.408 -14.600 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.307 -15.951 -2.237 1.00 0.00 H new ATOM 0 HE1 MET A 508 -4.337 -17.267 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 508 -3.752 -15.587 -4.406 1.00 0.00 H new ATOM 0 HE3 MET A 508 -2.589 -16.933 -4.443 1.00 0.00 H new ATOM 832 N HIS A 509 -0.469 -12.905 1.900 1.00 0.00 N ATOM 833 CA HIS A 509 -0.336 -12.615 3.324 1.00 0.00 C ATOM 834 C HIS A 509 -0.094 -11.127 3.555 1.00 0.00 C ATOM 835 O HIS A 509 0.329 -10.410 2.648 1.00 0.00 O ATOM 836 CB HIS A 509 0.808 -13.430 3.927 1.00 0.00 C ATOM 837 CG HIS A 509 0.512 -14.895 4.026 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.766 -15.410 3.986 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.340 -15.958 4.163 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.713 -16.725 4.095 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.554 -17.083 4.203 1.00 0.00 N ATOM 0 H HIS A 509 0.208 -12.426 1.307 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.268 -12.894 3.815 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.703 -13.289 3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.033 -13.045 4.922 1.00 0.00 H new ATOM 0 HD1 HIS A 509 -1.620 -14.861 3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.418 -15.927 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.561 -17.394 4.096 1.00 0.00 H new ATOM 849 N GLU A 510 -0.364 -10.670 4.774 1.00 0.00 N ATOM 850 CA GLU A 510 -0.176 -9.267 5.122 1.00 0.00 C ATOM 851 C GLU A 510 1.288 -8.976 5.437 1.00 0.00 C ATOM 852 O GLU A 510 1.911 -9.669 6.242 1.00 0.00 O ATOM 853 CB GLU A 510 -1.051 -8.894 6.321 1.00 0.00 C ATOM 854 CG GLU A 510 -2.531 -9.161 6.101 1.00 0.00 C ATOM 855 CD GLU A 510 -2.907 -10.607 6.358 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.494 -11.151 7.404 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.616 -11.194 5.514 1.00 0.00 O ATOM 0 H GLU A 510 -0.713 -11.251 5.536 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.472 -8.664 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.715 -9.454 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.911 -7.837 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -3.114 -8.516 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.796 -8.897 5.077 1.00 0.00 H new ATOM 864 N LEU A 511 1.831 -7.946 4.797 1.00 0.00 N ATOM 865 CA LEU A 511 3.223 -7.563 5.008 1.00 0.00 C ATOM 866 C LEU A 511 3.317 -6.168 5.618 1.00 0.00 C ATOM 867 O LEU A 511 2.633 -5.241 5.183 1.00 0.00 O ATOM 868 CB LEU A 511 3.991 -7.607 3.686 1.00 0.00 C ATOM 869 CG LEU A 511 3.928 -8.927 2.917 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.900 -8.910 1.748 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.225 -10.098 3.843 1.00 0.00 C ATOM 0 H LEU A 511 1.329 -7.362 4.128 1.00 0.00 H new ATOM 0 HA LEU A 511 3.669 -8.274 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.610 -6.815 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.037 -7.377 3.889 1.00 0.00 H new ATOM 0 HG LEU A 511 2.919 -9.048 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.841 -9.857 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.642 -8.095 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.914 -8.766 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.176 -11.029 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.223 -9.983 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.490 -10.122 4.647 1.00 0.00 H new ATOM 883 N LYS A 512 4.170 -6.024 6.626 1.00 0.00 N ATOM 884 CA LYS A 512 4.357 -4.742 7.294 1.00 0.00 C ATOM 885 C LYS A 512 5.659 -4.083 6.851 1.00 0.00 C ATOM 886 O LYS A 512 6.722 -4.704 6.877 1.00 0.00 O ATOM 887 CB LYS A 512 4.360 -4.930 8.813 1.00 0.00 C ATOM 888 CG LYS A 512 4.955 -3.756 9.570 1.00 0.00 C ATOM 889 CD LYS A 512 6.462 -3.886 9.707 1.00 0.00 C ATOM 890 CE LYS A 512 6.996 -3.022 10.840 1.00 0.00 C ATOM 891 NZ LYS A 512 8.404 -2.601 10.601 1.00 0.00 N ATOM 0 H LYS A 512 4.744 -6.781 6.999 1.00 0.00 H new ATOM 0 HA LYS A 512 3.527 -4.092 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.337 -5.090 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 512 4.921 -5.832 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 512 4.715 -2.828 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.503 -3.694 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.723 -4.928 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 512 6.940 -3.596 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.367 -2.139 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.937 -3.575 11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.730 -2.014 11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 9.009 -3.443 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 8.457 -2.051 9.720 1.00 0.00 H new ATOM 905 N VAL A 513 5.570 -2.820 6.444 1.00 0.00 N ATOM 906 CA VAL A 513 6.741 -2.076 5.998 1.00 0.00 C ATOM 907 C VAL A 513 6.594 -0.588 6.297 1.00 0.00 C ATOM 908 O VAL A 513 5.488 -0.096 6.525 1.00 0.00 O ATOM 909 CB VAL A 513 6.983 -2.263 4.488 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.307 -1.637 4.078 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.946 -3.739 4.122 1.00 0.00 C ATOM 0 H VAL A 513 4.698 -2.291 6.414 1.00 0.00 H new ATOM 0 HA VAL A 513 7.595 -2.471 6.548 1.00 0.00 H new ATOM 0 HB VAL A 513 6.185 -1.757 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.461 -1.779 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.291 -0.571 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.120 -2.112 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.119 -3.853 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.722 -4.270 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.971 -4.153 4.378 1.00 0.00 H new ATOM 921 N LEU A 514 7.715 0.124 6.295 1.00 0.00 N ATOM 922 CA LEU A 514 7.712 1.557 6.565 1.00 0.00 C ATOM 923 C LEU A 514 7.325 2.346 5.319 1.00 0.00 C ATOM 924 O LEU A 514 7.517 1.900 4.187 1.00 0.00 O ATOM 925 CB LEU A 514 9.088 2.006 7.060 1.00 0.00 C ATOM 926 CG LEU A 514 9.524 1.457 8.419 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.947 1.890 8.738 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.568 1.915 9.511 1.00 0.00 C ATOM 0 H LEU A 514 8.638 -0.268 6.109 1.00 0.00 H new ATOM 0 HA LEU A 514 6.972 1.753 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.832 1.716 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.096 3.095 7.111 1.00 0.00 H new ATOM 0 HG LEU A 514 9.498 0.368 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.240 1.490 9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.623 1.512 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.999 2.978 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.894 1.515 10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.561 3.004 9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.563 1.555 9.290 1.00 0.00 H new ATOM 940 N PRO A 515 6.770 3.549 5.528 1.00 0.00 N ATOM 941 CA PRO A 515 6.348 4.427 4.432 1.00 0.00 C ATOM 942 C PRO A 515 7.531 4.999 3.659 1.00 0.00 C ATOM 943 O PRO A 515 7.354 5.789 2.731 1.00 0.00 O ATOM 944 CB PRO A 515 5.586 5.546 5.148 1.00 0.00 C ATOM 945 CG PRO A 515 6.153 5.569 6.525 1.00 0.00 C ATOM 946 CD PRO A 515 6.512 4.145 6.849 1.00 0.00 C ATOM 0 HA PRO A 515 5.754 3.895 3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.725 6.504 4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.514 5.348 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 515 7.030 6.214 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.428 5.961 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.389 4.088 7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.701 3.635 7.369 1.00 0.00 H new ATOM 954 N ARG A 516 8.736 4.595 4.046 1.00 0.00 N ATOM 955 CA ARG A 516 9.948 5.069 3.389 1.00 0.00 C ATOM 956 C ARG A 516 10.405 4.083 2.317 1.00 0.00 C ATOM 957 O ARG A 516 11.080 4.462 1.359 1.00 0.00 O ATOM 958 CB ARG A 516 11.063 5.275 4.416 1.00 0.00 C ATOM 959 CG ARG A 516 11.919 4.039 4.642 1.00 0.00 C ATOM 960 CD ARG A 516 13.000 4.293 5.681 1.00 0.00 C ATOM 961 NE ARG A 516 14.214 4.843 5.084 1.00 0.00 N ATOM 962 CZ ARG A 516 15.141 5.499 5.774 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.992 5.685 7.078 1.00 0.00 N ATOM 964 NH2 ARG A 516 16.219 5.969 5.160 1.00 0.00 N ATOM 0 H ARG A 516 8.899 3.941 4.811 1.00 0.00 H new ATOM 0 HA ARG A 516 9.724 6.022 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.702 6.094 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.620 5.578 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 516 11.288 3.212 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 516 12.380 3.737 3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.622 4.983 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.238 3.360 6.192 1.00 0.00 H new ATOM 0 HE ARG A 516 14.358 4.717 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.165 5.324 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.705 6.189 7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 516 16.337 5.827 4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 516 16.930 6.472 5.691 1.00 0.00 H new ATOM 978 N ASP A 517 10.034 2.819 2.486 1.00 0.00 N ATOM 979 CA ASP A 517 10.405 1.780 1.532 1.00 0.00 C ATOM 980 C ASP A 517 9.212 1.385 0.667 1.00 0.00 C ATOM 981 O ASP A 517 9.173 0.287 0.109 1.00 0.00 O ATOM 982 CB ASP A 517 10.946 0.553 2.269 1.00 0.00 C ATOM 983 CG ASP A 517 12.203 0.858 3.058 1.00 0.00 C ATOM 984 OD1 ASP A 517 13.271 1.022 2.433 1.00 0.00 O ATOM 985 OD2 ASP A 517 12.119 0.933 4.302 1.00 0.00 O ATOM 0 H ASP A 517 9.477 2.489 3.274 1.00 0.00 H new ATOM 0 HA ASP A 517 11.185 2.178 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.180 0.172 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.156 -0.237 1.548 1.00 0.00 H new ATOM 990 N LEU A 518 8.242 2.285 0.560 1.00 0.00 N ATOM 991 CA LEU A 518 7.046 2.031 -0.236 1.00 0.00 C ATOM 992 C LEU A 518 6.882 3.088 -1.323 1.00 0.00 C ATOM 993 O LEU A 518 7.306 4.232 -1.159 1.00 0.00 O ATOM 994 CB LEU A 518 5.807 2.008 0.661 1.00 0.00 C ATOM 995 CG LEU A 518 5.735 0.867 1.676 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.433 0.931 2.459 1.00 0.00 C ATOM 997 CD2 LEU A 518 5.875 -0.478 0.979 1.00 0.00 C ATOM 0 H LEU A 518 8.260 3.198 1.014 1.00 0.00 H new ATOM 0 HA LEU A 518 7.158 1.058 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.757 2.953 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 518 4.923 1.958 0.025 1.00 0.00 H new ATOM 0 HG LEU A 518 6.563 0.977 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.399 0.111 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.374 1.881 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.591 0.847 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 518 5.821 -1.278 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.069 -0.598 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 518 6.835 -0.523 0.465 1.00 0.00 H new ATOM 1009 N GLN A 519 6.261 2.698 -2.432 1.00 0.00 N ATOM 1010 CA GLN A 519 6.039 3.613 -3.545 1.00 0.00 C ATOM 1011 C GLN A 519 4.676 3.372 -4.184 1.00 0.00 C ATOM 1012 O GLN A 519 4.348 2.249 -4.569 1.00 0.00 O ATOM 1013 CB GLN A 519 7.142 3.452 -4.593 1.00 0.00 C ATOM 1014 CG GLN A 519 8.541 3.688 -4.045 1.00 0.00 C ATOM 1015 CD GLN A 519 8.944 5.149 -4.084 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.150 5.720 -5.155 1.00 0.00 O ATOM 1017 NE2 GLN A 519 9.059 5.763 -2.912 1.00 0.00 N ATOM 0 H GLN A 519 5.903 1.755 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 519 6.063 4.631 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.090 2.447 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 519 6.959 4.149 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.590 3.329 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 519 9.257 3.102 -4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 519 8.879 5.251 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.328 6.746 -2.876 1.00 0.00 H new ATOM 1026 N LEU A 520 3.884 4.433 -4.294 1.00 0.00 N ATOM 1027 CA LEU A 520 2.554 4.338 -4.887 1.00 0.00 C ATOM 1028 C LEU A 520 2.638 3.901 -6.346 1.00 0.00 C ATOM 1029 O LEU A 520 3.631 4.163 -7.026 1.00 0.00 O ATOM 1030 CB LEU A 520 1.831 5.682 -4.786 1.00 0.00 C ATOM 1031 CG LEU A 520 0.998 5.903 -3.522 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.421 7.309 -3.503 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.112 4.867 -3.428 1.00 0.00 C ATOM 0 H LEU A 520 4.140 5.369 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 520 1.990 3.587 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.574 6.477 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.176 5.786 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 520 1.649 5.788 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.168 7.448 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.233 8.036 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.216 7.453 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.695 5.039 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.762 4.950 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.324 3.869 -3.394 1.00 0.00 H new