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 88:sc= 0.0243 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 473 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0268) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 477 HIS : no HE2:sc=-0.00351 K(o=-0.0035,f=-1) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc=-0.00856 (180deg=-0.00856) 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 HD1:sc= -3.88! C(o=-3.9!,f=-4.6!) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -3.52 K(o=-3.5,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.363 6.750 1.287 1.00 0.00 N ATOM 244 CA PHE A 472 -0.121 5.376 1.221 1.00 0.00 C ATOM 245 C PHE A 472 -1.379 5.200 2.067 1.00 0.00 C ATOM 246 O PHE A 472 -1.320 5.205 3.297 1.00 0.00 O ATOM 247 CB PHE A 472 0.965 4.407 1.695 1.00 0.00 C ATOM 248 CG PHE A 472 2.296 4.629 1.036 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.370 4.990 -0.300 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.473 4.477 1.751 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.593 5.195 -0.910 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.699 4.682 1.146 1.00 0.00 C ATOM 253 CZ PHE A 472 4.759 5.040 -0.186 1.00 0.00 C ATOM 0 HA PHE A 472 -0.369 5.155 0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 472 1.082 4.505 2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.639 3.385 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.461 5.113 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.432 4.195 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.637 5.476 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.609 4.562 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.716 5.199 -0.661 1.00 0.00 H new ATOM 263 N LYS A 473 -2.517 5.047 1.399 1.00 0.00 N ATOM 264 CA LYS A 473 -3.790 4.870 2.086 1.00 0.00 C ATOM 265 C LYS A 473 -4.433 3.540 1.706 1.00 0.00 C ATOM 266 O LYS A 473 -4.150 2.984 0.645 1.00 0.00 O ATOM 267 CB LYS A 473 -4.740 6.022 1.750 1.00 0.00 C ATOM 268 CG LYS A 473 -4.450 7.295 2.527 1.00 0.00 C ATOM 269 CD LYS A 473 -5.100 7.270 3.901 1.00 0.00 C ATOM 270 CE LYS A 473 -6.530 7.784 3.851 1.00 0.00 C ATOM 271 NZ LYS A 473 -6.583 9.268 3.739 1.00 0.00 N ATOM 0 H LYS A 473 -2.583 5.042 0.381 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.597 4.867 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.676 6.235 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.764 5.708 1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -3.372 7.419 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -4.815 8.156 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.092 6.252 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -4.517 7.880 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -7.047 7.337 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.061 7.469 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -7.564 9.591 3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -5.985 9.693 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -6.237 9.558 2.802 1.00 0.00 H new ATOM 285 N MET A 474 -5.301 3.037 2.578 1.00 0.00 N ATOM 286 CA MET A 474 -5.986 1.773 2.332 1.00 0.00 C ATOM 287 C MET A 474 -6.750 1.818 1.012 1.00 0.00 C ATOM 288 O MET A 474 -7.561 2.714 0.784 1.00 0.00 O ATOM 289 CB MET A 474 -6.946 1.456 3.480 1.00 0.00 C ATOM 290 CG MET A 474 -7.695 0.146 3.301 1.00 0.00 C ATOM 291 SD MET A 474 -9.065 0.282 2.138 1.00 0.00 S ATOM 292 CE MET A 474 -9.232 -1.422 1.610 1.00 0.00 C ATOM 0 H MET A 474 -5.547 3.485 3.461 1.00 0.00 H new ATOM 0 HA MET A 474 -5.234 0.986 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.384 1.419 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.667 2.268 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.002 -0.619 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 474 -8.075 -0.185 4.267 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.043 -1.501 0.886 1.00 0.00 H new ATOM 0 HE2 MET A 474 -8.301 -1.753 1.150 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.454 -2.050 2.473 1.00 0.00 H new ATOM 302 N GLY A 475 -6.484 0.844 0.146 1.00 0.00 N ATOM 303 CA GLY A 475 -7.155 0.792 -1.140 1.00 0.00 C ATOM 304 C GLY A 475 -6.209 1.041 -2.297 1.00 0.00 C ATOM 305 O GLY A 475 -6.298 0.382 -3.333 1.00 0.00 O ATOM 0 H GLY A 475 -5.816 0.091 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.625 -0.184 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -7.953 1.534 -1.161 1.00 0.00 H new ATOM 309 N ASP A 476 -5.303 1.996 -2.123 1.00 0.00 N ATOM 310 CA ASP A 476 -4.336 2.332 -3.163 1.00 0.00 C ATOM 311 C ASP A 476 -3.284 1.236 -3.301 1.00 0.00 C ATOM 312 O ASP A 476 -3.064 0.452 -2.377 1.00 0.00 O ATOM 313 CB ASP A 476 -3.661 3.668 -2.849 1.00 0.00 C ATOM 314 CG ASP A 476 -4.554 4.854 -3.154 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.206 4.847 -4.219 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.601 5.790 -2.328 1.00 0.00 O ATOM 0 H ASP A 476 -5.217 2.552 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.871 2.418 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.379 3.691 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.741 3.752 -3.427 1.00 0.00 H new ATOM 321 N HIS A 477 -2.638 1.187 -4.462 1.00 0.00 N ATOM 322 CA HIS A 477 -1.609 0.186 -4.721 1.00 0.00 C ATOM 323 C HIS A 477 -0.217 0.767 -4.493 1.00 0.00 C ATOM 324 O HIS A 477 0.107 1.844 -4.994 1.00 0.00 O ATOM 325 CB HIS A 477 -1.727 -0.338 -6.153 1.00 0.00 C ATOM 326 CG HIS A 477 -0.525 -1.104 -6.612 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.384 -0.604 -7.520 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.083 -2.340 -6.281 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.332 -1.500 -7.729 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.072 -2.563 -6.989 1.00 0.00 N ATOM 0 H HIS A 477 -2.809 1.828 -5.237 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.757 -0.640 -4.026 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.605 -0.979 -6.225 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.890 0.503 -6.827 1.00 0.00 H new ATOM 0 HD1 HIS A 477 0.333 0.314 -7.961 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.552 -3.024 -5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 477 2.176 -1.383 -8.392 1.00 0.00 H new ATOM 338 N VAL A 478 0.603 0.046 -3.735 1.00 0.00 N ATOM 339 CA VAL A 478 1.960 0.490 -3.440 1.00 0.00 C ATOM 340 C VAL A 478 2.980 -0.585 -3.802 1.00 0.00 C ATOM 341 O VAL A 478 2.638 -1.759 -3.944 1.00 0.00 O ATOM 342 CB VAL A 478 2.122 0.855 -1.953 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.122 1.931 -1.556 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.962 -0.381 -1.081 1.00 0.00 C ATOM 0 H VAL A 478 0.351 -0.848 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 478 2.141 1.378 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 478 3.126 1.251 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.251 2.176 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.289 2.823 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.109 1.565 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.080 -0.105 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.971 -0.809 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.720 -1.116 -1.350 1.00 0.00 H new ATOM 354 N LYS A 479 4.235 -0.175 -3.950 1.00 0.00 N ATOM 355 CA LYS A 479 5.308 -1.102 -4.293 1.00 0.00 C ATOM 356 C LYS A 479 6.489 -0.943 -3.342 1.00 0.00 C ATOM 357 O LYS A 479 6.759 0.152 -2.848 1.00 0.00 O ATOM 358 CB LYS A 479 5.765 -0.873 -5.735 1.00 0.00 C ATOM 359 CG LYS A 479 7.111 -1.502 -6.053 1.00 0.00 C ATOM 360 CD LYS A 479 7.452 -1.373 -7.528 1.00 0.00 C ATOM 361 CE LYS A 479 8.886 -1.795 -7.808 1.00 0.00 C ATOM 362 NZ LYS A 479 9.063 -3.269 -7.692 1.00 0.00 N ATOM 0 H LYS A 479 4.535 0.794 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 479 4.922 -2.117 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.015 -1.278 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.820 0.199 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.887 -1.024 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.097 -2.555 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.770 -1.987 -8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 479 7.306 -0.341 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.170 -1.473 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.555 -1.293 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.054 -3.516 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.816 -3.574 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.443 -3.748 -8.376 1.00 0.00 H new ATOM 376 N VAL A 480 7.192 -2.043 -3.089 1.00 0.00 N ATOM 377 CA VAL A 480 8.347 -2.025 -2.199 1.00 0.00 C ATOM 378 C VAL A 480 9.636 -1.783 -2.976 1.00 0.00 C ATOM 379 O VAL A 480 10.025 -2.591 -3.820 1.00 0.00 O ATOM 380 CB VAL A 480 8.473 -3.345 -1.416 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.612 -3.264 -0.412 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.161 -3.679 -0.721 1.00 0.00 C ATOM 0 H VAL A 480 6.982 -2.958 -3.488 1.00 0.00 H new ATOM 0 HA VAL A 480 8.191 -1.207 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 480 8.699 -4.145 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.685 -4.206 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.548 -3.075 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.420 -2.453 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.268 -4.615 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.903 -2.879 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.371 -3.783 -1.465 1.00 0.00 H new ATOM 392 N ILE A 481 10.294 -0.666 -2.686 1.00 0.00 N ATOM 393 CA ILE A 481 11.541 -0.318 -3.357 1.00 0.00 C ATOM 394 C ILE A 481 12.745 -0.628 -2.474 1.00 0.00 C ATOM 395 O ILE A 481 13.862 -0.790 -2.965 1.00 0.00 O ATOM 396 CB ILE A 481 11.574 1.171 -3.746 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.281 2.047 -2.526 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.573 1.451 -4.857 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.582 3.513 -2.748 1.00 0.00 C ATOM 0 H ILE A 481 9.985 0.014 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 481 11.592 -0.923 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 481 12.572 1.413 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.231 1.937 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 481 11.869 1.688 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.608 2.508 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.823 0.850 -5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.570 1.196 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.351 4.073 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.638 3.635 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 481 10.975 3.888 -3.572 1.00 0.00 H new ATOM 411 N ALA A 482 12.509 -0.712 -1.169 1.00 0.00 N ATOM 412 CA ALA A 482 13.573 -1.006 -0.217 1.00 0.00 C ATOM 413 C ALA A 482 13.069 -1.899 0.912 1.00 0.00 C ATOM 414 O ALA A 482 11.895 -2.264 0.949 1.00 0.00 O ATOM 415 CB ALA A 482 14.151 0.284 0.345 1.00 0.00 C ATOM 0 H ALA A 482 11.590 -0.581 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 482 14.361 -1.543 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 482 14.944 0.049 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.558 0.885 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.365 0.844 0.852 1.00 0.00 H new ATOM 421 N GLY A 483 13.964 -2.246 1.831 1.00 0.00 N ATOM 422 CA GLY A 483 13.591 -3.093 2.948 1.00 0.00 C ATOM 423 C GLY A 483 13.945 -4.549 2.716 1.00 0.00 C ATOM 424 O GLY A 483 14.918 -4.855 2.027 1.00 0.00 O ATOM 0 H GLY A 483 14.942 -1.955 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.091 -2.740 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.519 -3.007 3.123 1.00 0.00 H new ATOM 428 N ARG A 484 13.156 -5.448 3.294 1.00 0.00 N ATOM 429 CA ARG A 484 13.393 -6.879 3.149 1.00 0.00 C ATOM 430 C ARG A 484 12.655 -7.432 1.933 1.00 0.00 C ATOM 431 O ARG A 484 13.089 -8.409 1.322 1.00 0.00 O ATOM 432 CB ARG A 484 12.949 -7.622 4.410 1.00 0.00 C ATOM 433 CG ARG A 484 13.366 -9.083 4.435 1.00 0.00 C ATOM 434 CD ARG A 484 13.265 -9.668 5.835 1.00 0.00 C ATOM 435 NE ARG A 484 13.565 -11.097 5.855 1.00 0.00 N ATOM 436 CZ ARG A 484 14.793 -11.591 5.749 1.00 0.00 C ATOM 437 NH1 ARG A 484 15.831 -10.776 5.618 1.00 0.00 N ATOM 438 NH2 ARG A 484 14.986 -12.904 5.776 1.00 0.00 N ATOM 0 H ARG A 484 12.347 -5.211 3.867 1.00 0.00 H new ATOM 0 HA ARG A 484 14.462 -7.031 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.365 -7.119 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.864 -7.561 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.735 -9.654 3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.390 -9.176 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 484 13.954 -9.144 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 484 12.261 -9.503 6.225 1.00 0.00 H new ATOM 0 HE ARG A 484 12.789 -11.751 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 484 15.687 -9.766 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 484 16.773 -11.159 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 484 14.191 -13.534 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 484 15.930 -13.283 5.694 1.00 0.00 H new ATOM 452 N PHE A 485 11.537 -6.801 1.589 1.00 0.00 N ATOM 453 CA PHE A 485 10.737 -7.231 0.448 1.00 0.00 C ATOM 454 C PHE A 485 10.959 -6.311 -0.749 1.00 0.00 C ATOM 455 O PHE A 485 10.015 -5.952 -1.452 1.00 0.00 O ATOM 456 CB PHE A 485 9.253 -7.255 0.819 1.00 0.00 C ATOM 457 CG PHE A 485 8.961 -8.023 2.077 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.768 -9.394 2.038 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.881 -7.372 3.298 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.500 -10.102 3.194 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.613 -8.075 4.457 1.00 0.00 C ATOM 462 CZ PHE A 485 8.423 -9.442 4.405 1.00 0.00 C ATOM 0 H PHE A 485 11.165 -5.991 2.084 1.00 0.00 H new ATOM 0 HA PHE A 485 11.052 -8.238 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.900 -6.231 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.688 -7.693 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 485 8.828 -9.915 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.030 -6.303 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.351 -11.171 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.552 -7.556 5.402 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.215 -9.994 5.310 1.00 0.00 H new ATOM 472 N GLU A 486 12.214 -5.934 -0.973 1.00 0.00 N ATOM 473 CA GLU A 486 12.560 -5.055 -2.084 1.00 0.00 C ATOM 474 C GLU A 486 12.099 -5.649 -3.412 1.00 0.00 C ATOM 475 O GLU A 486 12.660 -6.633 -3.892 1.00 0.00 O ATOM 476 CB GLU A 486 14.070 -4.810 -2.118 1.00 0.00 C ATOM 477 CG GLU A 486 14.554 -4.176 -3.412 1.00 0.00 C ATOM 478 CD GLU A 486 16.030 -3.830 -3.375 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.410 -2.939 -2.586 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.804 -4.448 -4.134 1.00 0.00 O ATOM 0 H GLU A 486 13.007 -6.223 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 486 12.048 -4.104 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.344 -4.166 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.587 -5.758 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.365 -4.859 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 486 13.977 -3.272 -3.607 1.00 0.00 H new ATOM 487 N GLY A 487 11.072 -5.043 -4.000 1.00 0.00 N ATOM 488 CA GLY A 487 10.552 -5.526 -5.266 1.00 0.00 C ATOM 489 C GLY A 487 9.141 -6.067 -5.145 1.00 0.00 C ATOM 490 O GLY A 487 8.440 -6.220 -6.145 1.00 0.00 O ATOM 0 H GLY A 487 10.591 -4.227 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.566 -4.715 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.206 -6.309 -5.649 1.00 0.00 H new ATOM 494 N ASP A 488 8.724 -6.358 -3.918 1.00 0.00 N ATOM 495 CA ASP A 488 7.387 -6.885 -3.670 1.00 0.00 C ATOM 496 C ASP A 488 6.337 -5.785 -3.794 1.00 0.00 C ATOM 497 O ASP A 488 6.564 -4.646 -3.386 1.00 0.00 O ATOM 498 CB ASP A 488 7.316 -7.521 -2.280 1.00 0.00 C ATOM 499 CG ASP A 488 6.305 -8.647 -2.210 1.00 0.00 C ATOM 500 OD1 ASP A 488 5.092 -8.353 -2.168 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.725 -9.823 -2.195 1.00 0.00 O ATOM 0 H ASP A 488 9.292 -6.238 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 488 7.179 -7.647 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.300 -7.903 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 488 7.056 -6.757 -1.547 1.00 0.00 H new ATOM 506 N THR A 489 5.186 -6.134 -4.361 1.00 0.00 N ATOM 507 CA THR A 489 4.102 -5.177 -4.541 1.00 0.00 C ATOM 508 C THR A 489 2.789 -5.724 -3.993 1.00 0.00 C ATOM 509 O THR A 489 2.571 -6.934 -3.971 1.00 0.00 O ATOM 510 CB THR A 489 3.914 -4.814 -6.026 1.00 0.00 C ATOM 511 OG1 THR A 489 3.508 -5.971 -6.766 1.00 0.00 O ATOM 512 CG2 THR A 489 5.202 -4.256 -6.614 1.00 0.00 C ATOM 0 H THR A 489 4.981 -7.073 -4.703 1.00 0.00 H new ATOM 0 HA THR A 489 4.378 -4.279 -3.987 1.00 0.00 H new ATOM 0 HB THR A 489 3.140 -4.049 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.389 -5.731 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.045 -4.007 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.493 -3.359 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.992 -5.002 -6.533 1.00 0.00 H new ATOM 520 N GLY A 490 1.916 -4.823 -3.552 1.00 0.00 N ATOM 521 CA GLY A 490 0.634 -5.236 -3.010 1.00 0.00 C ATOM 522 C GLY A 490 -0.301 -4.066 -2.780 1.00 0.00 C ATOM 523 O GLY A 490 0.027 -2.925 -3.107 1.00 0.00 O ATOM 0 H GLY A 490 2.073 -3.815 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.165 -5.943 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.793 -5.761 -2.068 1.00 0.00 H new ATOM 527 N LEU A 491 -1.471 -4.348 -2.217 1.00 0.00 N ATOM 528 CA LEU A 491 -2.459 -3.310 -1.944 1.00 0.00 C ATOM 529 C LEU A 491 -2.439 -2.912 -0.472 1.00 0.00 C ATOM 530 O LEU A 491 -1.973 -3.670 0.380 1.00 0.00 O ATOM 531 CB LEU A 491 -3.857 -3.793 -2.335 1.00 0.00 C ATOM 532 CG LEU A 491 -4.287 -3.510 -3.774 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.572 -4.254 -4.103 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.463 -2.015 -3.994 1.00 0.00 C ATOM 0 H LEU A 491 -1.759 -5.287 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.204 -2.435 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.908 -4.869 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.580 -3.331 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.504 -3.866 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.863 -4.040 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.412 -5.326 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.363 -3.930 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.769 -1.832 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.227 -1.635 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.519 -1.505 -3.800 1.00 0.00 H new ATOM 546 N ILE A 492 -2.948 -1.720 -0.179 1.00 0.00 N ATOM 547 CA ILE A 492 -2.991 -1.224 1.191 1.00 0.00 C ATOM 548 C ILE A 492 -4.276 -1.654 1.891 1.00 0.00 C ATOM 549 O ILE A 492 -5.365 -1.193 1.552 1.00 0.00 O ATOM 550 CB ILE A 492 -2.885 0.312 1.236 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.680 0.786 0.421 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.779 0.793 2.676 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.559 2.292 0.342 1.00 0.00 C ATOM 0 H ILE A 492 -3.336 -1.080 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.135 -1.655 1.710 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.787 0.737 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.770 0.379 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.753 0.382 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.705 1.880 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.665 0.482 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.891 0.362 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.683 2.556 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.452 2.705 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.454 2.702 1.347 1.00 0.00 H new ATOM 565 N VAL A 493 -4.140 -2.541 2.872 1.00 0.00 N ATOM 566 CA VAL A 493 -5.289 -3.032 3.623 1.00 0.00 C ATOM 567 C VAL A 493 -5.410 -2.323 4.967 1.00 0.00 C ATOM 568 O VAL A 493 -6.507 -2.177 5.506 1.00 0.00 O ATOM 569 CB VAL A 493 -5.195 -4.551 3.863 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.417 -5.311 2.565 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.851 -4.910 4.478 1.00 0.00 C ATOM 0 H VAL A 493 -3.245 -2.934 3.165 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.174 -2.821 3.023 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.978 -4.840 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.347 -6.382 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.405 -5.076 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.658 -5.020 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.801 -5.987 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.050 -4.608 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.737 -4.393 5.431 1.00 0.00 H new ATOM 581 N ARG A 494 -4.276 -1.884 5.503 1.00 0.00 N ATOM 582 CA ARG A 494 -4.256 -1.190 6.785 1.00 0.00 C ATOM 583 C ARG A 494 -3.060 -0.245 6.873 1.00 0.00 C ATOM 584 O ARG A 494 -1.972 -0.558 6.390 1.00 0.00 O ATOM 585 CB ARG A 494 -4.208 -2.199 7.934 1.00 0.00 C ATOM 586 CG ARG A 494 -4.491 -1.585 9.296 1.00 0.00 C ATOM 587 CD ARG A 494 -4.165 -2.553 10.422 1.00 0.00 C ATOM 588 NE ARG A 494 -5.109 -3.667 10.476 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.367 -3.545 10.884 1.00 0.00 C ATOM 590 NH1 ARG A 494 -6.830 -2.364 11.270 1.00 0.00 N ATOM 591 NH2 ARG A 494 -7.165 -4.605 10.905 1.00 0.00 N ATOM 0 H ARG A 494 -3.360 -1.997 5.070 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.169 -0.601 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.934 -2.989 7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.224 -2.668 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.903 -0.675 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.540 -1.296 9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -3.155 -2.940 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.178 -2.021 11.373 1.00 0.00 H new ATOM 0 HE ARG A 494 -4.784 -4.589 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -6.220 -1.547 11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -7.796 -2.273 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -6.812 -5.515 10.608 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -8.131 -4.510 11.219 1.00 0.00 H new ATOM 605 N VAL A 495 -3.271 0.912 7.492 1.00 0.00 N ATOM 606 CA VAL A 495 -2.211 1.902 7.644 1.00 0.00 C ATOM 607 C VAL A 495 -2.067 2.333 9.099 1.00 0.00 C ATOM 608 O VAL A 495 -3.047 2.387 9.841 1.00 0.00 O ATOM 609 CB VAL A 495 -2.477 3.146 6.775 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.219 3.993 6.658 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.984 2.737 5.401 1.00 0.00 C ATOM 0 H VAL A 495 -4.166 1.187 7.896 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.286 1.429 7.315 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.248 3.747 7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.425 4.867 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.904 4.315 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.425 3.404 6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.167 3.628 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.237 2.114 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.912 2.175 5.508 1.00 0.00 H new ATOM 621 N GLU A 496 -0.837 2.639 9.501 1.00 0.00 N ATOM 622 CA GLU A 496 -0.564 3.066 10.868 1.00 0.00 C ATOM 623 C GLU A 496 0.457 4.199 10.891 1.00 0.00 C ATOM 624 O GLU A 496 1.419 4.196 10.124 1.00 0.00 O ATOM 625 CB GLU A 496 -0.055 1.888 11.701 1.00 0.00 C ATOM 626 CG GLU A 496 -0.859 0.613 11.509 1.00 0.00 C ATOM 627 CD GLU A 496 -0.827 -0.287 12.729 1.00 0.00 C ATOM 628 OE1 GLU A 496 0.258 -0.817 13.046 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.887 -0.460 13.366 1.00 0.00 O ATOM 0 H GLU A 496 -0.014 2.599 8.899 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.495 3.432 11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.986 1.694 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 496 -0.074 2.164 12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.893 0.871 11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.469 0.068 10.650 1.00 0.00 H new ATOM 636 N GLU A 497 0.240 5.166 11.777 1.00 0.00 N ATOM 637 CA GLU A 497 1.141 6.306 11.899 1.00 0.00 C ATOM 638 C GLU A 497 2.597 5.849 11.919 1.00 0.00 C ATOM 639 O GLU A 497 3.504 6.620 11.611 1.00 0.00 O ATOM 640 CB GLU A 497 0.826 7.099 13.169 1.00 0.00 C ATOM 641 CG GLU A 497 -0.263 8.142 12.981 1.00 0.00 C ATOM 642 CD GLU A 497 -0.768 8.701 14.297 1.00 0.00 C ATOM 643 OE1 GLU A 497 -0.075 9.561 14.880 1.00 0.00 O ATOM 644 OE2 GLU A 497 -1.855 8.279 14.744 1.00 0.00 O ATOM 0 H GLU A 497 -0.551 5.183 12.420 1.00 0.00 H new ATOM 0 HA GLU A 497 0.992 6.949 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.522 6.406 13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.735 7.593 13.514 1.00 0.00 H new ATOM 0 HG2 GLU A 497 0.122 8.957 12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -1.096 7.698 12.435 1.00 0.00 H new ATOM 651 N ASN A 498 2.811 4.589 12.285 1.00 0.00 N ATOM 652 CA ASN A 498 4.156 4.029 12.346 1.00 0.00 C ATOM 653 C ASN A 498 4.547 3.406 11.010 1.00 0.00 C ATOM 654 O ASN A 498 5.502 3.842 10.365 1.00 0.00 O ATOM 655 CB ASN A 498 4.243 2.980 13.456 1.00 0.00 C ATOM 656 CG ASN A 498 4.020 3.575 14.833 1.00 0.00 C ATOM 657 OD1 ASN A 498 2.976 3.364 15.451 1.00 0.00 O ATOM 658 ND2 ASN A 498 5.003 4.323 15.321 1.00 0.00 N ATOM 0 H ASN A 498 2.070 3.937 12.544 1.00 0.00 H new ATOM 0 HA ASN A 498 4.851 4.839 12.565 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.502 2.202 13.275 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.222 2.502 13.424 1.00 0.00 H new ATOM 0 HD21 ASN A 498 4.910 4.749 16.243 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.851 4.471 14.774 1.00 0.00 H new ATOM 665 N PHE A 499 3.803 2.384 10.599 1.00 0.00 N ATOM 666 CA PHE A 499 4.072 1.701 9.340 1.00 0.00 C ATOM 667 C PHE A 499 2.776 1.423 8.584 1.00 0.00 C ATOM 668 O PHE A 499 1.682 1.595 9.121 1.00 0.00 O ATOM 669 CB PHE A 499 4.818 0.389 9.596 1.00 0.00 C ATOM 670 CG PHE A 499 4.480 -0.245 10.915 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.389 -1.092 11.033 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.252 0.007 12.038 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.076 -1.675 12.246 1.00 0.00 C ATOM 674 CE2 PHE A 499 4.943 -0.574 13.253 1.00 0.00 C ATOM 675 CZ PHE A 499 3.854 -1.417 13.357 1.00 0.00 C ATOM 0 H PHE A 499 3.009 2.011 11.120 1.00 0.00 H new ATOM 0 HA PHE A 499 4.696 2.353 8.728 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.587 -0.313 8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.891 0.577 9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.777 -1.298 10.167 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.105 0.665 11.963 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.223 -2.332 12.325 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.553 -0.369 14.121 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.612 -1.873 14.305 1.00 0.00 H new ATOM 685 N VAL A 500 2.908 0.993 7.333 1.00 0.00 N ATOM 686 CA VAL A 500 1.749 0.690 6.502 1.00 0.00 C ATOM 687 C VAL A 500 1.705 -0.789 6.137 1.00 0.00 C ATOM 688 O VAL A 500 2.683 -1.343 5.631 1.00 0.00 O ATOM 689 CB VAL A 500 1.751 1.528 5.209 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.475 1.290 4.417 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.920 3.005 5.532 1.00 0.00 C ATOM 0 H VAL A 500 3.806 0.847 6.873 1.00 0.00 H new ATOM 0 HA VAL A 500 0.865 0.942 7.088 1.00 0.00 H new ATOM 0 HB VAL A 500 2.595 1.215 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.494 1.890 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.401 0.235 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.387 1.574 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.919 3.582 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.097 3.335 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.865 3.158 6.054 1.00 0.00 H new ATOM 701 N ILE A 501 0.567 -1.423 6.394 1.00 0.00 N ATOM 702 CA ILE A 501 0.396 -2.839 6.091 1.00 0.00 C ATOM 703 C ILE A 501 -0.267 -3.033 4.732 1.00 0.00 C ATOM 704 O ILE A 501 -1.376 -2.551 4.495 1.00 0.00 O ATOM 705 CB ILE A 501 -0.448 -3.548 7.167 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.010 -3.125 8.565 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.351 -5.057 7.006 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.370 -3.665 8.945 1.00 0.00 C ATOM 0 H ILE A 501 -0.251 -0.979 6.811 1.00 0.00 H new ATOM 0 HA ILE A 501 1.392 -3.281 6.074 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.491 -3.255 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.033 -2.036 8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.724 -3.464 9.297 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.953 -5.544 7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.719 -5.342 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.689 -5.368 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.629 -3.325 9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.347 -4.755 8.926 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.115 -3.305 8.236 1.00 0.00 H new ATOM 720 N LEU A 502 0.417 -3.744 3.842 1.00 0.00 N ATOM 721 CA LEU A 502 -0.106 -4.005 2.505 1.00 0.00 C ATOM 722 C LEU A 502 -0.279 -5.502 2.271 1.00 0.00 C ATOM 723 O LEU A 502 0.578 -6.302 2.645 1.00 0.00 O ATOM 724 CB LEU A 502 0.827 -3.415 1.447 1.00 0.00 C ATOM 725 CG LEU A 502 2.151 -4.150 1.235 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.748 -3.796 -0.118 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.129 -3.819 2.354 1.00 0.00 C ATOM 0 H LEU A 502 1.335 -4.150 4.022 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.083 -3.529 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.294 -3.386 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.047 -2.383 1.720 1.00 0.00 H new ATOM 0 HG LEU A 502 1.956 -5.222 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.690 -4.329 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.054 -4.083 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.929 -2.722 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.066 -4.351 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.318 -2.746 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.704 -4.124 3.310 1.00 0.00 H new ATOM 739 N PHE A 503 -1.392 -5.873 1.646 1.00 0.00 N ATOM 740 CA PHE A 503 -1.676 -7.275 1.360 1.00 0.00 C ATOM 741 C PHE A 503 -0.960 -7.727 0.090 1.00 0.00 C ATOM 742 O PHE A 503 -1.097 -7.109 -0.966 1.00 0.00 O ATOM 743 CB PHE A 503 -3.183 -7.492 1.213 1.00 0.00 C ATOM 744 CG PHE A 503 -3.566 -8.930 1.015 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.732 -9.773 2.102 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.759 -9.440 -0.259 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.083 -11.098 1.921 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.111 -10.764 -0.446 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.274 -11.593 0.646 1.00 0.00 C ATOM 0 H PHE A 503 -2.111 -5.223 1.328 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.309 -7.872 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.685 -7.110 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.545 -6.908 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.586 -9.391 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.633 -8.795 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.208 -11.746 2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.258 -11.149 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.551 -12.627 0.503 1.00 0.00 H new ATOM 759 N SER A 504 -0.196 -8.808 0.202 1.00 0.00 N ATOM 760 CA SER A 504 0.546 -9.341 -0.935 1.00 0.00 C ATOM 761 C SER A 504 -0.357 -10.193 -1.821 1.00 0.00 C ATOM 762 O SER A 504 -1.331 -10.782 -1.350 1.00 0.00 O ATOM 763 CB SER A 504 1.735 -10.172 -0.450 1.00 0.00 C ATOM 764 OG SER A 504 2.655 -10.409 -1.502 1.00 0.00 O ATOM 0 H SER A 504 -0.074 -9.332 1.068 1.00 0.00 H new ATOM 0 HA SER A 504 0.915 -8.501 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.237 -9.652 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.380 -11.123 -0.052 1.00 0.00 H new ATOM 0 HG SER A 504 3.296 -9.669 -1.548 1.00 0.00 H new ATOM 770 N ASP A 505 -0.028 -10.254 -3.106 1.00 0.00 N ATOM 771 CA ASP A 505 -0.807 -11.034 -4.060 1.00 0.00 C ATOM 772 C ASP A 505 -0.184 -12.410 -4.275 1.00 0.00 C ATOM 773 O ASP A 505 -0.842 -13.333 -4.755 1.00 0.00 O ATOM 774 CB ASP A 505 -0.910 -10.293 -5.394 1.00 0.00 C ATOM 775 CG ASP A 505 -1.710 -9.010 -5.284 1.00 0.00 C ATOM 776 OD1 ASP A 505 -2.851 -9.064 -4.780 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.194 -7.952 -5.701 1.00 0.00 O ATOM 0 H ASP A 505 0.774 -9.772 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.808 -11.168 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 505 0.092 -10.063 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.375 -10.945 -6.133 1.00 0.00 H new ATOM 782 N LEU A 506 1.089 -12.539 -3.917 1.00 0.00 N ATOM 783 CA LEU A 506 1.803 -13.802 -4.072 1.00 0.00 C ATOM 784 C LEU A 506 1.804 -14.590 -2.766 1.00 0.00 C ATOM 785 O LEU A 506 1.415 -15.758 -2.731 1.00 0.00 O ATOM 786 CB LEU A 506 3.240 -13.546 -4.528 1.00 0.00 C ATOM 787 CG LEU A 506 3.403 -12.909 -5.908 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.803 -12.338 -6.071 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.109 -13.925 -7.002 1.00 0.00 C ATOM 0 H LEU A 506 1.648 -11.785 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 506 1.288 -14.392 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.724 -12.902 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.776 -14.495 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 506 2.687 -12.092 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 506 4.900 -11.889 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 506 4.977 -11.579 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.537 -13.137 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.230 -13.454 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.800 -14.763 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.086 -14.286 -6.898 1.00 0.00 H new ATOM 801 N THR A 507 2.242 -13.942 -1.690 1.00 0.00 N ATOM 802 CA THR A 507 2.293 -14.581 -0.381 1.00 0.00 C ATOM 803 C THR A 507 0.928 -14.556 0.296 1.00 0.00 C ATOM 804 O THR A 507 0.766 -15.063 1.406 1.00 0.00 O ATOM 805 CB THR A 507 3.322 -13.897 0.538 1.00 0.00 C ATOM 806 OG1 THR A 507 3.026 -12.500 0.651 1.00 0.00 O ATOM 807 CG2 THR A 507 4.734 -14.079 0.000 1.00 0.00 C ATOM 0 H THR A 507 2.566 -12.975 -1.700 1.00 0.00 H new ATOM 0 HA THR A 507 2.595 -15.615 -0.545 1.00 0.00 H new ATOM 0 HB THR A 507 3.262 -14.362 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.684 -12.073 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.443 -13.587 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.967 -15.142 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.804 -13.638 -0.994 1.00 0.00 H new ATOM 815 N MET A 508 -0.052 -13.964 -0.379 1.00 0.00 N ATOM 816 CA MET A 508 -1.405 -13.875 0.159 1.00 0.00 C ATOM 817 C MET A 508 -1.377 -13.692 1.673 1.00 0.00 C ATOM 818 O MET A 508 -2.048 -14.418 2.408 1.00 0.00 O ATOM 819 CB MET A 508 -2.203 -15.130 -0.201 1.00 0.00 C ATOM 820 CG MET A 508 -2.111 -15.507 -1.671 1.00 0.00 C ATOM 821 SD MET A 508 -3.228 -16.852 -2.113 1.00 0.00 S ATOM 822 CE MET A 508 -4.542 -15.947 -2.927 1.00 0.00 C ATOM 0 H MET A 508 0.065 -13.539 -1.299 1.00 0.00 H new ATOM 0 HA MET A 508 -1.890 -13.005 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.845 -15.964 0.403 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.249 -14.973 0.061 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.341 -14.634 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.087 -15.799 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.312 -16.643 -3.259 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.977 -15.231 -2.230 1.00 0.00 H new ATOM 0 HE3 MET A 508 -4.138 -15.415 -3.788 1.00 0.00 H new ATOM 832 N HIS A 509 -0.598 -12.719 2.133 1.00 0.00 N ATOM 833 CA HIS A 509 -0.484 -12.441 3.561 1.00 0.00 C ATOM 834 C HIS A 509 -0.302 -10.947 3.811 1.00 0.00 C ATOM 835 O HIS A 509 -0.089 -10.174 2.877 1.00 0.00 O ATOM 836 CB HIS A 509 0.689 -13.217 4.160 1.00 0.00 C ATOM 837 CG HIS A 509 0.484 -14.700 4.170 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.732 -15.290 4.448 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.347 -15.716 3.932 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.607 -16.603 4.382 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.645 -16.888 4.071 1.00 0.00 N ATOM 0 H HIS A 509 -0.036 -12.110 1.539 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.407 -12.762 4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.592 -12.987 3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.856 -12.875 5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.393 -15.622 3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.395 -17.322 4.553 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.028 -17.826 3.953 1.00 0.00 H new ATOM 849 N GLU A 510 -0.388 -10.549 5.076 1.00 0.00 N ATOM 850 CA GLU A 510 -0.234 -9.147 5.447 1.00 0.00 C ATOM 851 C GLU A 510 1.230 -8.814 5.721 1.00 0.00 C ATOM 852 O GLU A 510 1.848 -9.376 6.626 1.00 0.00 O ATOM 853 CB GLU A 510 -1.080 -8.827 6.681 1.00 0.00 C ATOM 854 CG GLU A 510 -2.572 -8.770 6.397 1.00 0.00 C ATOM 855 CD GLU A 510 -3.405 -8.712 7.663 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.588 -9.771 8.301 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.873 -7.610 8.016 1.00 0.00 O ATOM 0 H GLU A 510 -0.563 -11.177 5.861 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.577 -8.537 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.893 -9.581 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.760 -7.870 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.788 -7.895 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.861 -9.646 5.816 1.00 0.00 H new ATOM 864 N LEU A 511 1.780 -7.897 4.933 1.00 0.00 N ATOM 865 CA LEU A 511 3.171 -7.488 5.089 1.00 0.00 C ATOM 866 C LEU A 511 3.266 -6.128 5.772 1.00 0.00 C ATOM 867 O LEU A 511 2.510 -5.208 5.457 1.00 0.00 O ATOM 868 CB LEU A 511 3.864 -7.437 3.726 1.00 0.00 C ATOM 869 CG LEU A 511 3.870 -8.740 2.926 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.431 -8.508 1.532 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.670 -9.810 3.654 1.00 0.00 C ATOM 0 H LEU A 511 1.283 -7.422 4.179 1.00 0.00 H new ATOM 0 HA LEU A 511 3.672 -8.225 5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.381 -6.667 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.897 -7.123 3.878 1.00 0.00 H new ATOM 0 HG LEU A 511 2.842 -9.088 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.427 -9.446 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.816 -7.775 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.453 -8.136 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.663 -10.730 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.698 -9.471 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 511 4.223 -9.997 4.631 1.00 0.00 H new ATOM 883 N LYS A 512 4.201 -6.006 6.708 1.00 0.00 N ATOM 884 CA LYS A 512 4.399 -4.757 7.434 1.00 0.00 C ATOM 885 C LYS A 512 5.731 -4.115 7.060 1.00 0.00 C ATOM 886 O LYS A 512 6.796 -4.666 7.335 1.00 0.00 O ATOM 887 CB LYS A 512 4.347 -5.007 8.943 1.00 0.00 C ATOM 888 CG LYS A 512 4.760 -3.804 9.773 1.00 0.00 C ATOM 889 CD LYS A 512 5.325 -4.223 11.120 1.00 0.00 C ATOM 890 CE LYS A 512 6.345 -3.218 11.634 1.00 0.00 C ATOM 891 NZ LYS A 512 6.979 -3.671 12.903 1.00 0.00 N ATOM 0 H LYS A 512 4.834 -6.757 6.982 1.00 0.00 H new ATOM 0 HA LYS A 512 3.596 -4.074 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.334 -5.298 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 512 4.998 -5.847 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.506 -3.224 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.899 -3.153 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.514 -4.321 11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.792 -5.204 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.115 -3.063 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.858 -2.256 11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.668 -2.959 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.247 -3.794 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.465 -4.576 12.744 1.00 0.00 H new ATOM 905 N VAL A 513 5.663 -2.945 6.432 1.00 0.00 N ATOM 906 CA VAL A 513 6.863 -2.226 6.022 1.00 0.00 C ATOM 907 C VAL A 513 6.680 -0.720 6.170 1.00 0.00 C ATOM 908 O VAL A 513 5.604 -0.185 5.901 1.00 0.00 O ATOM 909 CB VAL A 513 7.238 -2.545 4.562 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.663 -2.102 4.267 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.063 -4.030 4.280 1.00 0.00 C ATOM 0 H VAL A 513 4.789 -2.475 6.196 1.00 0.00 H new ATOM 0 HA VAL A 513 7.669 -2.557 6.677 1.00 0.00 H new ATOM 0 HB VAL A 513 6.568 -1.992 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.910 -2.336 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.751 -1.027 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.351 -2.625 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.332 -4.238 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.707 -4.605 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.024 -4.312 4.448 1.00 0.00 H new ATOM 921 N LEU A 514 7.737 -0.041 6.601 1.00 0.00 N ATOM 922 CA LEU A 514 7.694 1.406 6.785 1.00 0.00 C ATOM 923 C LEU A 514 7.379 2.113 5.471 1.00 0.00 C ATOM 924 O LEU A 514 7.681 1.620 4.384 1.00 0.00 O ATOM 925 CB LEU A 514 9.027 1.909 7.341 1.00 0.00 C ATOM 926 CG LEU A 514 9.375 1.460 8.761 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.744 1.983 9.166 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.311 1.927 9.743 1.00 0.00 C ATOM 0 H LEU A 514 8.634 -0.469 6.830 1.00 0.00 H new ATOM 0 HA LEU A 514 6.901 1.633 7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.823 1.581 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.019 2.999 7.318 1.00 0.00 H new ATOM 0 HG LEU A 514 9.406 0.371 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 514 10.974 1.653 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.498 1.599 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.742 3.072 9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.575 1.599 10.748 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.248 3.015 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.347 1.502 9.464 1.00 0.00 H new ATOM 940 N PRO A 515 6.757 3.298 5.570 1.00 0.00 N ATOM 941 CA PRO A 515 6.390 4.100 4.399 1.00 0.00 C ATOM 942 C PRO A 515 7.608 4.687 3.694 1.00 0.00 C ATOM 943 O PRO A 515 7.475 5.414 2.709 1.00 0.00 O ATOM 944 CB PRO A 515 5.525 5.216 4.991 1.00 0.00 C ATOM 945 CG PRO A 515 5.975 5.334 6.406 1.00 0.00 C ATOM 946 CD PRO A 515 6.367 3.946 6.833 1.00 0.00 C ATOM 0 HA PRO A 515 5.882 3.505 3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.664 6.153 4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.465 4.969 4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.817 6.021 6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.178 5.726 7.038 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.190 3.963 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.539 3.424 7.313 1.00 0.00 H new ATOM 954 N ARG A 516 8.793 4.366 4.202 1.00 0.00 N ATOM 955 CA ARG A 516 10.034 4.862 3.621 1.00 0.00 C ATOM 956 C ARG A 516 10.602 3.863 2.617 1.00 0.00 C ATOM 957 O ARG A 516 11.534 4.174 1.875 1.00 0.00 O ATOM 958 CB ARG A 516 11.062 5.139 4.719 1.00 0.00 C ATOM 959 CG ARG A 516 11.638 3.880 5.345 1.00 0.00 C ATOM 960 CD ARG A 516 12.999 4.141 5.971 1.00 0.00 C ATOM 961 NE ARG A 516 13.402 3.066 6.874 1.00 0.00 N ATOM 962 CZ ARG A 516 14.520 3.089 7.591 1.00 0.00 C ATOM 963 NH1 ARG A 516 15.341 4.127 7.512 1.00 0.00 N ATOM 964 NH2 ARG A 516 14.818 2.073 8.390 1.00 0.00 N ATOM 0 H ARG A 516 8.920 3.764 5.016 1.00 0.00 H new ATOM 0 HA ARG A 516 9.814 5.792 3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.876 5.732 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.595 5.741 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.953 3.504 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.729 3.103 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.745 4.252 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.971 5.083 6.519 1.00 0.00 H new ATOM 0 HE ARG A 516 12.792 2.253 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 516 15.115 4.911 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 516 16.199 4.142 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 516 14.188 1.273 8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 516 15.677 2.092 8.940 1.00 0.00 H new ATOM 978 N ASP A 517 10.035 2.662 2.601 1.00 0.00 N ATOM 979 CA ASP A 517 10.484 1.616 1.689 1.00 0.00 C ATOM 980 C ASP A 517 9.378 1.239 0.708 1.00 0.00 C ATOM 981 O ASP A 517 9.391 0.151 0.131 1.00 0.00 O ATOM 982 CB ASP A 517 10.930 0.382 2.474 1.00 0.00 C ATOM 983 CG ASP A 517 11.756 0.738 3.694 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.810 1.386 3.527 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.349 0.369 4.816 1.00 0.00 O ATOM 0 H ASP A 517 9.263 2.388 3.209 1.00 0.00 H new ATOM 0 HA ASP A 517 11.331 2.001 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.052 -0.183 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.513 -0.269 1.822 1.00 0.00 H new ATOM 990 N LEU A 518 8.423 2.144 0.525 1.00 0.00 N ATOM 991 CA LEU A 518 7.309 1.906 -0.386 1.00 0.00 C ATOM 992 C LEU A 518 7.143 3.069 -1.359 1.00 0.00 C ATOM 993 O LEU A 518 7.725 4.136 -1.170 1.00 0.00 O ATOM 994 CB LEU A 518 6.015 1.699 0.403 1.00 0.00 C ATOM 995 CG LEU A 518 6.013 0.535 1.395 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.708 0.500 2.175 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.238 -0.784 0.670 1.00 0.00 C ATOM 0 H LEU A 518 8.398 3.049 0.995 1.00 0.00 H new ATOM 0 HA LEU A 518 7.527 1.005 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.795 2.616 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.201 1.548 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 518 6.830 0.683 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.725 -0.335 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.588 1.433 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.874 0.376 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.234 -1.601 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.442 -0.939 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.200 -0.758 0.157 1.00 0.00 H new ATOM 1009 N GLN A 519 6.344 2.854 -2.400 1.00 0.00 N ATOM 1010 CA GLN A 519 6.101 3.885 -3.402 1.00 0.00 C ATOM 1011 C GLN A 519 4.790 3.630 -4.138 1.00 0.00 C ATOM 1012 O GLN A 519 4.471 2.491 -4.483 1.00 0.00 O ATOM 1013 CB GLN A 519 7.259 3.938 -4.400 1.00 0.00 C ATOM 1014 CG GLN A 519 7.271 2.776 -5.380 1.00 0.00 C ATOM 1015 CD GLN A 519 6.403 3.028 -6.596 1.00 0.00 C ATOM 1016 OE1 GLN A 519 5.503 2.246 -6.904 1.00 0.00 O ATOM 1017 NE2 GLN A 519 6.668 4.125 -7.296 1.00 0.00 N ATOM 0 H GLN A 519 5.854 1.976 -2.571 1.00 0.00 H new ATOM 0 HA GLN A 519 6.028 4.845 -2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.204 4.873 -4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.201 3.949 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.295 2.588 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.926 1.875 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 519 7.423 4.746 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 519 6.116 4.347 -8.125 1.00 0.00 H new ATOM 1026 N LEU A 520 4.034 4.696 -4.375 1.00 0.00 N ATOM 1027 CA LEU A 520 2.756 4.589 -5.071 1.00 0.00 C ATOM 1028 C LEU A 520 2.966 4.300 -6.554 1.00 0.00 C ATOM 1029 O LEU A 520 4.020 4.608 -7.113 1.00 0.00 O ATOM 1030 CB LEU A 520 1.950 5.877 -4.899 1.00 0.00 C ATOM 1031 CG LEU A 520 1.069 5.956 -3.651 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.550 7.372 -3.454 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.086 4.971 -3.750 1.00 0.00 C ATOM 0 H LEU A 520 4.284 5.645 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 520 2.200 3.759 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.644 6.717 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.315 6.005 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 520 1.674 5.689 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.075 7.410 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.391 8.055 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.039 7.668 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.702 5.041 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.691 5.207 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.306 3.958 -3.842 1.00 0.00 H new