USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=6 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 Single : A 473 LYS NZ :NH3+ -164:sc= -0.0103 (180deg=-0.238) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 477 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.5) USER MOD Single : A 479 LYS NZ :NH3+ 155:sc= -0.318 (180deg=-1.28) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : A 504 SER OG : rot 180:sc= 0 USER MOD Single : A 507 THR OG1 : rot -170:sc= 0 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-2) USER MOD Single : A 512 LYS NZ :NH3+ 158:sc= -0.0505 (180deg=-0.656) USER MOD Single : A 519 GLN : amide:sc= -5.44! C(o=-5.4!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.063 6.892 0.845 1.00 0.00 N ATOM 244 CA PHE A 472 -0.296 5.482 0.946 1.00 0.00 C ATOM 245 C PHE A 472 -1.561 5.301 1.779 1.00 0.00 C ATOM 246 O PHE A 472 -1.519 5.339 3.009 1.00 0.00 O ATOM 247 CB PHE A 472 0.854 4.684 1.564 1.00 0.00 C ATOM 248 CG PHE A 472 2.209 5.099 1.064 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.339 5.789 -0.130 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.351 4.798 1.788 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.584 6.173 -0.593 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.598 5.180 1.331 1.00 0.00 C ATOM 253 CZ PHE A 472 4.715 5.867 0.139 1.00 0.00 C ATOM 0 HA PHE A 472 -0.488 5.109 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.824 4.799 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.706 3.625 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.458 6.030 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.266 4.259 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.672 6.711 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.481 4.941 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.689 6.165 -0.220 1.00 0.00 H new ATOM 263 N LYS A 473 -2.686 5.105 1.101 1.00 0.00 N ATOM 264 CA LYS A 473 -3.965 4.917 1.776 1.00 0.00 C ATOM 265 C LYS A 473 -4.590 3.579 1.395 1.00 0.00 C ATOM 266 O LYS A 473 -4.306 3.032 0.330 1.00 0.00 O ATOM 267 CB LYS A 473 -4.922 6.058 1.425 1.00 0.00 C ATOM 268 CG LYS A 473 -4.606 7.360 2.140 1.00 0.00 C ATOM 269 CD LYS A 473 -5.722 8.377 1.966 1.00 0.00 C ATOM 270 CE LYS A 473 -5.522 9.582 2.872 1.00 0.00 C ATOM 271 NZ LYS A 473 -5.686 9.229 4.310 1.00 0.00 N ATOM 0 H LYS A 473 -2.738 5.072 0.083 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.784 4.920 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -4.892 6.228 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.940 5.756 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.452 7.165 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -3.674 7.772 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.760 8.704 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.681 7.909 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -4.527 9.996 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -6.238 10.360 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -5.813 10.097 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -6.520 8.619 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -4.840 8.724 4.642 1.00 0.00 H new ATOM 285 N MET A 474 -5.442 3.058 2.272 1.00 0.00 N ATOM 286 CA MET A 474 -6.109 1.785 2.026 1.00 0.00 C ATOM 287 C MET A 474 -6.802 1.788 0.667 1.00 0.00 C ATOM 288 O MET A 474 -7.475 2.752 0.304 1.00 0.00 O ATOM 289 CB MET A 474 -7.129 1.497 3.130 1.00 0.00 C ATOM 290 CG MET A 474 -7.910 0.211 2.915 1.00 0.00 C ATOM 291 SD MET A 474 -9.312 0.427 1.802 1.00 0.00 S ATOM 292 CE MET A 474 -10.552 1.048 2.936 1.00 0.00 C ATOM 0 H MET A 474 -5.687 3.498 3.159 1.00 0.00 H new ATOM 0 HA MET A 474 -5.352 1.001 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.610 1.442 4.087 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.828 2.331 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.244 -0.551 2.510 1.00 0.00 H new ATOM 0 HG3 MET A 474 -8.268 -0.157 3.877 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.481 1.231 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.728 0.313 3.721 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.203 1.979 3.383 1.00 0.00 H new ATOM 302 N GLY A 475 -6.631 0.703 -0.082 1.00 0.00 N ATOM 303 CA GLY A 475 -7.245 0.602 -1.393 1.00 0.00 C ATOM 304 C GLY A 475 -6.283 0.948 -2.512 1.00 0.00 C ATOM 305 O GLY A 475 -6.445 0.488 -3.643 1.00 0.00 O ATOM 0 H GLY A 475 -6.078 -0.108 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.618 -0.412 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.106 1.268 -1.440 1.00 0.00 H new ATOM 309 N ASP A 476 -5.281 1.761 -2.199 1.00 0.00 N ATOM 310 CA ASP A 476 -4.289 2.168 -3.187 1.00 0.00 C ATOM 311 C ASP A 476 -3.166 1.140 -3.286 1.00 0.00 C ATOM 312 O ASP A 476 -2.821 0.485 -2.302 1.00 0.00 O ATOM 313 CB ASP A 476 -3.712 3.538 -2.827 1.00 0.00 C ATOM 314 CG ASP A 476 -4.652 4.674 -3.182 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.872 4.523 -2.966 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.167 5.713 -3.678 1.00 0.00 O ATOM 0 H ASP A 476 -5.134 2.152 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.784 2.233 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.497 3.569 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.765 3.678 -3.347 1.00 0.00 H new ATOM 321 N HIS A 477 -2.600 1.003 -4.481 1.00 0.00 N ATOM 322 CA HIS A 477 -1.516 0.054 -4.709 1.00 0.00 C ATOM 323 C HIS A 477 -0.163 0.694 -4.416 1.00 0.00 C ATOM 324 O HIS A 477 0.057 1.869 -4.712 1.00 0.00 O ATOM 325 CB HIS A 477 -1.551 -0.456 -6.150 1.00 0.00 C ATOM 326 CG HIS A 477 -0.813 -1.744 -6.348 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.041 -1.968 -7.407 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.803 -2.881 -5.613 1.00 0.00 C ATOM 329 CE1 HIS A 477 0.542 -3.186 -7.316 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.047 -3.762 -6.236 1.00 0.00 N ATOM 0 H HIS A 477 -2.874 1.537 -5.306 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.654 -0.788 -4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.589 -0.591 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.123 0.303 -6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -1.360 -3.062 -4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.239 -3.635 -8.008 1.00 0.00 H new ATOM 0 HE2 HIS A 477 0.261 -4.707 -5.916 1.00 0.00 H new ATOM 338 N VAL A 478 0.742 -0.086 -3.832 1.00 0.00 N ATOM 339 CA VAL A 478 2.074 0.405 -3.500 1.00 0.00 C ATOM 340 C VAL A 478 3.143 -0.622 -3.857 1.00 0.00 C ATOM 341 O VAL A 478 2.863 -1.817 -3.956 1.00 0.00 O ATOM 342 CB VAL A 478 2.188 0.748 -2.002 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.059 1.677 -1.580 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.187 -0.520 -1.163 1.00 0.00 C ATOM 0 H VAL A 478 0.577 -1.060 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 478 2.233 1.310 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 478 3.133 1.265 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.156 1.908 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.111 2.599 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.101 1.190 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.268 -0.258 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.259 -1.067 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 478 3.033 -1.145 -1.448 1.00 0.00 H new ATOM 354 N LYS A 479 4.369 -0.148 -4.049 1.00 0.00 N ATOM 355 CA LYS A 479 5.483 -1.025 -4.393 1.00 0.00 C ATOM 356 C LYS A 479 6.603 -0.910 -3.365 1.00 0.00 C ATOM 357 O LYS A 479 6.821 0.153 -2.784 1.00 0.00 O ATOM 358 CB LYS A 479 6.017 -0.681 -5.785 1.00 0.00 C ATOM 359 CG LYS A 479 7.329 -1.369 -6.121 1.00 0.00 C ATOM 360 CD LYS A 479 8.105 -0.605 -7.180 1.00 0.00 C ATOM 361 CE LYS A 479 7.743 -1.073 -8.582 1.00 0.00 C ATOM 362 NZ LYS A 479 6.302 -0.852 -8.886 1.00 0.00 N ATOM 0 H LYS A 479 4.617 0.838 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 479 5.118 -2.052 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.271 -0.957 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 479 6.154 0.398 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.935 -1.459 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.130 -2.381 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.898 0.461 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 479 9.174 -0.738 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 479 8.354 -0.541 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 479 7.977 -2.133 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 6.173 -0.772 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 5.745 -1.654 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 5.981 0.024 -8.427 1.00 0.00 H new ATOM 376 N VAL A 480 7.313 -2.013 -3.144 1.00 0.00 N ATOM 377 CA VAL A 480 8.413 -2.036 -2.188 1.00 0.00 C ATOM 378 C VAL A 480 9.755 -1.861 -2.889 1.00 0.00 C ATOM 379 O VAL A 480 10.307 -2.813 -3.440 1.00 0.00 O ATOM 380 CB VAL A 480 8.432 -3.351 -1.386 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.543 -3.327 -0.347 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.082 -3.594 -0.729 1.00 0.00 C ATOM 0 H VAL A 480 7.145 -2.902 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 480 8.254 -1.203 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 480 8.629 -4.173 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.541 -4.264 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.505 -3.203 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.381 -2.496 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.114 -4.527 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.853 -2.770 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.310 -3.659 -1.496 1.00 0.00 H new ATOM 392 N ILE A 481 10.274 -0.638 -2.865 1.00 0.00 N ATOM 393 CA ILE A 481 11.552 -0.339 -3.497 1.00 0.00 C ATOM 394 C ILE A 481 12.712 -0.593 -2.540 1.00 0.00 C ATOM 395 O ILE A 481 13.858 -0.740 -2.963 1.00 0.00 O ATOM 396 CB ILE A 481 11.613 1.122 -3.982 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.397 2.081 -2.809 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.575 1.363 -5.068 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.881 3.488 -3.082 1.00 0.00 C ATOM 0 H ILE A 481 9.829 0.162 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 481 11.641 -1.003 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 481 12.601 1.309 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.335 2.112 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 481 11.914 1.691 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.630 2.400 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.770 0.700 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.580 1.162 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.696 4.112 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.950 3.470 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.346 3.897 -3.940 1.00 0.00 H new ATOM 411 N ALA A 482 12.405 -0.646 -1.248 1.00 0.00 N ATOM 412 CA ALA A 482 13.421 -0.887 -0.231 1.00 0.00 C ATOM 413 C ALA A 482 12.943 -1.914 0.789 1.00 0.00 C ATOM 414 O ALA A 482 11.776 -2.305 0.792 1.00 0.00 O ATOM 415 CB ALA A 482 13.792 0.416 0.463 1.00 0.00 C ATOM 0 H ALA A 482 11.461 -0.525 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 482 14.306 -1.288 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 482 14.552 0.222 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.183 1.121 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 482 12.907 0.840 0.937 1.00 0.00 H new ATOM 421 N GLY A 483 13.854 -2.350 1.655 1.00 0.00 N ATOM 422 CA GLY A 483 13.506 -3.329 2.668 1.00 0.00 C ATOM 423 C GLY A 483 13.906 -4.737 2.274 1.00 0.00 C ATOM 424 O GLY A 483 14.788 -4.928 1.437 1.00 0.00 O ATOM 0 H GLY A 483 14.826 -2.042 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.993 -3.065 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.431 -3.296 2.847 1.00 0.00 H new ATOM 428 N ARG A 484 13.257 -5.726 2.881 1.00 0.00 N ATOM 429 CA ARG A 484 13.552 -7.124 2.591 1.00 0.00 C ATOM 430 C ARG A 484 12.682 -7.638 1.447 1.00 0.00 C ATOM 431 O ARG A 484 12.975 -8.671 0.846 1.00 0.00 O ATOM 432 CB ARG A 484 13.334 -7.983 3.838 1.00 0.00 C ATOM 433 CG ARG A 484 14.164 -7.544 5.033 1.00 0.00 C ATOM 434 CD ARG A 484 14.342 -8.675 6.033 1.00 0.00 C ATOM 435 NE ARG A 484 15.453 -9.552 5.675 1.00 0.00 N ATOM 436 CZ ARG A 484 15.870 -10.559 6.436 1.00 0.00 C ATOM 437 NH1 ARG A 484 15.270 -10.814 7.590 1.00 0.00 N ATOM 438 NH2 ARG A 484 16.888 -11.313 6.041 1.00 0.00 N ATOM 0 H ARG A 484 12.524 -5.585 3.576 1.00 0.00 H new ATOM 0 HA ARG A 484 14.597 -7.193 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 484 12.279 -7.954 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 484 13.574 -9.020 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 484 15.141 -7.201 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.681 -6.698 5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 484 14.515 -8.258 7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 484 13.423 -9.258 6.088 1.00 0.00 H new ATOM 0 HE ARG A 484 15.936 -9.383 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 484 14.486 -10.237 7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 484 15.592 -11.587 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 484 17.351 -11.120 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 484 17.207 -12.085 6.625 1.00 0.00 H new ATOM 452 N PHE A 485 11.610 -6.910 1.153 1.00 0.00 N ATOM 453 CA PHE A 485 10.696 -7.292 0.083 1.00 0.00 C ATOM 454 C PHE A 485 10.860 -6.376 -1.126 1.00 0.00 C ATOM 455 O PHE A 485 9.881 -6.002 -1.771 1.00 0.00 O ATOM 456 CB PHE A 485 9.249 -7.246 0.579 1.00 0.00 C ATOM 457 CG PHE A 485 9.051 -7.912 1.911 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.183 -7.191 3.087 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.732 -9.258 1.987 1.00 0.00 C ATOM 460 CE1 PHE A 485 9.001 -7.800 4.314 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.548 -9.872 3.211 1.00 0.00 C ATOM 462 CZ PHE A 485 8.684 -9.143 4.376 1.00 0.00 C ATOM 0 H PHE A 485 11.353 -6.052 1.641 1.00 0.00 H new ATOM 0 HA PHE A 485 10.937 -8.311 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.931 -6.206 0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.605 -7.726 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.431 -6.141 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.626 -9.834 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 485 9.106 -7.227 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.298 -10.922 3.257 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.543 -9.622 5.334 1.00 0.00 H new ATOM 472 N GLU A 486 12.105 -6.019 -1.425 1.00 0.00 N ATOM 473 CA GLU A 486 12.397 -5.145 -2.556 1.00 0.00 C ATOM 474 C GLU A 486 11.973 -5.796 -3.870 1.00 0.00 C ATOM 475 O GLU A 486 12.588 -6.759 -4.325 1.00 0.00 O ATOM 476 CB GLU A 486 13.890 -4.811 -2.598 1.00 0.00 C ATOM 477 CG GLU A 486 14.330 -4.152 -3.895 1.00 0.00 C ATOM 478 CD GLU A 486 15.804 -3.796 -3.898 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.249 -3.109 -2.955 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.511 -4.205 -4.842 1.00 0.00 O ATOM 0 H GLU A 486 12.927 -6.321 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 486 11.829 -4.224 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.129 -4.150 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.463 -5.727 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.120 -4.823 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 486 13.742 -3.249 -4.057 1.00 0.00 H new ATOM 487 N GLY A 487 10.916 -5.261 -4.474 1.00 0.00 N ATOM 488 CA GLY A 487 10.426 -5.801 -5.728 1.00 0.00 C ATOM 489 C GLY A 487 9.020 -6.356 -5.611 1.00 0.00 C ATOM 490 O GLY A 487 8.363 -6.617 -6.619 1.00 0.00 O ATOM 0 H GLY A 487 10.391 -4.463 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.443 -5.019 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.097 -6.590 -6.067 1.00 0.00 H new ATOM 494 N ASP A 488 8.558 -6.537 -4.379 1.00 0.00 N ATOM 495 CA ASP A 488 7.221 -7.065 -4.134 1.00 0.00 C ATOM 496 C ASP A 488 6.202 -5.935 -4.029 1.00 0.00 C ATOM 497 O ASP A 488 6.463 -4.904 -3.408 1.00 0.00 O ATOM 498 CB ASP A 488 7.207 -7.902 -2.854 1.00 0.00 C ATOM 499 CG ASP A 488 7.568 -9.353 -3.107 1.00 0.00 C ATOM 500 OD1 ASP A 488 8.777 -9.661 -3.174 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.642 -10.180 -3.236 1.00 0.00 O ATOM 0 H ASP A 488 9.089 -6.326 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 488 6.947 -7.700 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.909 -7.476 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.217 -7.851 -2.401 1.00 0.00 H new ATOM 506 N THR A 489 5.039 -6.135 -4.642 1.00 0.00 N ATOM 507 CA THR A 489 3.981 -5.133 -4.619 1.00 0.00 C ATOM 508 C THR A 489 2.728 -5.671 -3.937 1.00 0.00 C ATOM 509 O THR A 489 2.594 -6.875 -3.724 1.00 0.00 O ATOM 510 CB THR A 489 3.618 -4.668 -6.042 1.00 0.00 C ATOM 511 OG1 THR A 489 2.953 -5.722 -6.747 1.00 0.00 O ATOM 512 CG2 THR A 489 4.863 -4.245 -6.808 1.00 0.00 C ATOM 0 H THR A 489 4.806 -6.982 -5.160 1.00 0.00 H new ATOM 0 HA THR A 489 4.362 -4.283 -4.053 1.00 0.00 H new ATOM 0 HB THR A 489 2.952 -3.809 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 489 2.724 -5.418 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.581 -3.921 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.351 -3.423 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.550 -5.088 -6.879 1.00 0.00 H new ATOM 520 N GLY A 490 1.812 -4.769 -3.597 1.00 0.00 N ATOM 521 CA GLY A 490 0.581 -5.174 -2.943 1.00 0.00 C ATOM 522 C GLY A 490 -0.352 -4.006 -2.692 1.00 0.00 C ATOM 523 O GLY A 490 -0.013 -2.857 -2.978 1.00 0.00 O ATOM 0 H GLY A 490 1.900 -3.766 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.073 -5.916 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.818 -5.656 -1.995 1.00 0.00 H new ATOM 527 N LEU A 491 -1.533 -4.299 -2.157 1.00 0.00 N ATOM 528 CA LEU A 491 -2.520 -3.264 -1.868 1.00 0.00 C ATOM 529 C LEU A 491 -2.475 -2.865 -0.397 1.00 0.00 C ATOM 530 O LEU A 491 -2.038 -3.640 0.454 1.00 0.00 O ATOM 531 CB LEU A 491 -3.922 -3.754 -2.234 1.00 0.00 C ATOM 532 CG LEU A 491 -4.373 -3.489 -3.671 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.580 -4.345 -4.018 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.689 -2.013 -3.867 1.00 0.00 C ATOM 0 H LEU A 491 -1.830 -5.244 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.280 -2.388 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.969 -4.828 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.637 -3.285 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.558 -3.758 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.887 -4.143 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.320 -5.399 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.401 -4.108 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -5.008 -1.843 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.487 -1.718 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.798 -1.420 -3.661 1.00 0.00 H new ATOM 546 N ILE A 492 -2.932 -1.652 -0.105 1.00 0.00 N ATOM 547 CA ILE A 492 -2.947 -1.151 1.264 1.00 0.00 C ATOM 548 C ILE A 492 -4.218 -1.577 1.991 1.00 0.00 C ATOM 549 O ILE A 492 -5.319 -1.153 1.640 1.00 0.00 O ATOM 550 CB ILE A 492 -2.837 0.385 1.303 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.599 0.849 0.532 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.786 0.876 2.742 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.574 2.339 0.271 1.00 0.00 C ATOM 0 H ILE A 492 -3.297 -0.998 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.081 -1.582 1.767 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.720 0.810 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.706 0.571 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.555 0.321 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.708 1.963 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.694 0.572 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.919 0.445 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.669 2.597 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.448 2.620 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.587 2.875 1.220 1.00 0.00 H new ATOM 565 N VAL A 493 -4.057 -2.417 3.009 1.00 0.00 N ATOM 566 CA VAL A 493 -5.191 -2.899 3.788 1.00 0.00 C ATOM 567 C VAL A 493 -5.290 -2.169 5.123 1.00 0.00 C ATOM 568 O VAL A 493 -6.385 -1.931 5.632 1.00 0.00 O ATOM 569 CB VAL A 493 -5.089 -4.413 4.050 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.443 -5.197 2.796 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.696 -4.776 4.541 1.00 0.00 C ATOM 0 H VAL A 493 -3.153 -2.777 3.313 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.087 -2.699 3.200 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.804 -4.678 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.365 -6.265 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.463 -4.959 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.755 -4.930 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.642 -5.850 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.960 -4.497 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.486 -4.242 5.468 1.00 0.00 H new ATOM 581 N ARG A 494 -4.139 -1.815 5.685 1.00 0.00 N ATOM 582 CA ARG A 494 -4.095 -1.112 6.961 1.00 0.00 C ATOM 583 C ARG A 494 -2.977 -0.074 6.972 1.00 0.00 C ATOM 584 O ARG A 494 -1.910 -0.289 6.399 1.00 0.00 O ATOM 585 CB ARG A 494 -3.896 -2.105 8.108 1.00 0.00 C ATOM 586 CG ARG A 494 -4.451 -1.620 9.437 1.00 0.00 C ATOM 587 CD ARG A 494 -4.721 -2.779 10.384 1.00 0.00 C ATOM 588 NE ARG A 494 -5.922 -3.522 10.012 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.236 -4.710 10.515 1.00 0.00 C ATOM 590 NH1 ARG A 494 -5.443 -5.287 11.407 1.00 0.00 N ATOM 591 NH2 ARG A 494 -7.347 -5.324 10.127 1.00 0.00 N ATOM 0 H ARG A 494 -3.224 -2.004 5.276 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.046 -0.597 7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.374 -3.049 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -2.831 -2.308 8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.744 -0.929 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.374 -1.065 9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -3.864 -3.453 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.830 -2.399 11.400 1.00 0.00 H new ATOM 0 HE ARG A 494 -6.554 -3.106 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -4.589 -4.818 11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -5.687 -6.200 11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -7.961 -4.883 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -7.587 -6.237 10.514 1.00 0.00 H new ATOM 605 N VAL A 495 -3.230 1.054 7.629 1.00 0.00 N ATOM 606 CA VAL A 495 -2.245 2.125 7.716 1.00 0.00 C ATOM 607 C VAL A 495 -2.061 2.587 9.157 1.00 0.00 C ATOM 608 O VAL A 495 -3.009 3.032 9.803 1.00 0.00 O ATOM 609 CB VAL A 495 -2.652 3.333 6.850 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.523 4.350 6.789 1.00 0.00 C ATOM 611 CG2 VAL A 495 -3.046 2.877 5.454 1.00 0.00 C ATOM 0 H VAL A 495 -4.109 1.249 8.109 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.304 1.720 7.344 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.517 3.813 7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.828 5.196 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.292 4.698 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.638 3.885 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.331 3.742 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.202 2.373 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.889 2.189 5.520 1.00 0.00 H new ATOM 621 N GLU A 496 -0.833 2.477 9.656 1.00 0.00 N ATOM 622 CA GLU A 496 -0.525 2.883 11.022 1.00 0.00 C ATOM 623 C GLU A 496 0.484 4.028 11.034 1.00 0.00 C ATOM 624 O GLU A 496 1.322 4.139 10.141 1.00 0.00 O ATOM 625 CB GLU A 496 0.023 1.697 11.819 1.00 0.00 C ATOM 626 CG GLU A 496 -0.969 0.557 11.972 1.00 0.00 C ATOM 627 CD GLU A 496 -1.858 0.717 13.191 1.00 0.00 C ATOM 628 OE1 GLU A 496 -2.774 1.564 13.151 1.00 0.00 O ATOM 629 OE2 GLU A 496 -1.635 -0.006 14.185 1.00 0.00 O ATOM 0 H GLU A 496 -0.036 2.110 9.135 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.447 3.229 11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.921 1.323 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.323 2.042 12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.591 0.499 11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.426 -0.385 12.044 1.00 0.00 H new ATOM 636 N GLU A 497 0.395 4.876 12.054 1.00 0.00 N ATOM 637 CA GLU A 497 1.299 6.013 12.182 1.00 0.00 C ATOM 638 C GLU A 497 2.755 5.560 12.121 1.00 0.00 C ATOM 639 O GLU A 497 3.626 6.296 11.659 1.00 0.00 O ATOM 640 CB GLU A 497 1.039 6.754 13.496 1.00 0.00 C ATOM 641 CG GLU A 497 -0.373 7.303 13.616 1.00 0.00 C ATOM 642 CD GLU A 497 -0.516 8.683 13.005 1.00 0.00 C ATOM 643 OE1 GLU A 497 0.402 9.510 13.183 1.00 0.00 O ATOM 644 OE2 GLU A 497 -1.548 8.936 12.348 1.00 0.00 O ATOM 0 H GLU A 497 -0.293 4.797 12.803 1.00 0.00 H new ATOM 0 HA GLU A 497 1.111 6.689 11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 497 1.229 6.077 14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.749 7.577 13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -1.067 6.620 13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -0.654 7.345 14.668 1.00 0.00 H new ATOM 651 N ASN A 498 3.011 4.344 12.591 1.00 0.00 N ATOM 652 CA ASN A 498 4.361 3.792 12.590 1.00 0.00 C ATOM 653 C ASN A 498 4.723 3.241 11.215 1.00 0.00 C ATOM 654 O ASN A 498 5.689 3.682 10.592 1.00 0.00 O ATOM 655 CB ASN A 498 4.483 2.688 13.643 1.00 0.00 C ATOM 656 CG ASN A 498 4.620 3.242 15.048 1.00 0.00 C ATOM 657 OD1 ASN A 498 3.723 3.089 15.877 1.00 0.00 O ATOM 658 ND2 ASN A 498 5.747 3.889 15.322 1.00 0.00 N ATOM 0 H ASN A 498 2.301 3.722 12.978 1.00 0.00 H new ATOM 0 HA ASN A 498 5.056 4.596 12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.605 2.044 13.593 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.348 2.066 13.415 1.00 0.00 H new ATOM 0 HD21 ASN A 498 5.896 4.283 16.251 1.00 0.00 H new ATOM 0 HD22 ASN A 498 6.464 3.992 14.604 1.00 0.00 H new ATOM 665 N PHE A 499 3.941 2.275 10.746 1.00 0.00 N ATOM 666 CA PHE A 499 4.179 1.663 9.444 1.00 0.00 C ATOM 667 C PHE A 499 2.862 1.386 8.724 1.00 0.00 C ATOM 668 O PHE A 499 1.783 1.562 9.290 1.00 0.00 O ATOM 669 CB PHE A 499 4.968 0.362 9.604 1.00 0.00 C ATOM 670 CG PHE A 499 4.703 -0.344 10.904 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.585 -1.148 11.055 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.572 -0.203 11.974 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.338 -1.797 12.250 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.331 -0.850 13.171 1.00 0.00 C ATOM 675 CZ PHE A 499 4.213 -1.649 13.309 1.00 0.00 C ATOM 0 H PHE A 499 3.137 1.899 11.248 1.00 0.00 H new ATOM 0 HA PHE A 499 4.762 2.362 8.844 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.721 -0.307 8.780 1.00 0.00 H new ATOM 0 HB3 PHE A 499 6.033 0.581 9.529 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.899 -1.269 10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.448 0.420 11.871 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.462 -2.419 12.356 1.00 0.00 H new ATOM 0 HE2 PHE A 499 6.016 -0.731 13.997 1.00 0.00 H new ATOM 0 HZ PHE A 499 4.023 -2.157 14.243 1.00 0.00 H new ATOM 685 N VAL A 500 2.959 0.951 7.471 1.00 0.00 N ATOM 686 CA VAL A 500 1.777 0.649 6.673 1.00 0.00 C ATOM 687 C VAL A 500 1.723 -0.831 6.310 1.00 0.00 C ATOM 688 O VAL A 500 2.722 -1.414 5.888 1.00 0.00 O ATOM 689 CB VAL A 500 1.744 1.485 5.380 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.460 1.224 4.608 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.892 2.965 5.700 1.00 0.00 C ATOM 0 H VAL A 500 3.844 0.800 6.987 1.00 0.00 H new ATOM 0 HA VAL A 500 0.910 0.903 7.283 1.00 0.00 H new ATOM 0 HB VAL A 500 2.584 1.186 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.455 1.823 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.401 0.167 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.397 1.494 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.867 3.541 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.074 3.281 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.842 3.134 6.207 1.00 0.00 H new ATOM 701 N ILE A 501 0.549 -1.432 6.476 1.00 0.00 N ATOM 702 CA ILE A 501 0.364 -2.844 6.163 1.00 0.00 C ATOM 703 C ILE A 501 -0.293 -3.024 4.799 1.00 0.00 C ATOM 704 O ILE A 501 -1.393 -2.525 4.557 1.00 0.00 O ATOM 705 CB ILE A 501 -0.493 -3.549 7.231 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.121 -3.048 8.628 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.319 -5.057 7.139 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.259 -3.476 9.075 1.00 0.00 C ATOM 0 H ILE A 501 -0.287 -0.964 6.825 1.00 0.00 H new ATOM 0 HA ILE A 501 1.356 -3.296 6.147 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.541 -3.312 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.177 -1.960 8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.856 -3.414 9.344 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.931 -5.541 7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.630 -5.400 6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.728 -5.313 7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.455 -3.085 10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.314 -4.564 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.003 -3.087 8.380 1.00 0.00 H new ATOM 720 N LEU A 502 0.387 -3.740 3.911 1.00 0.00 N ATOM 721 CA LEU A 502 -0.131 -3.989 2.570 1.00 0.00 C ATOM 722 C LEU A 502 -0.299 -5.484 2.319 1.00 0.00 C ATOM 723 O LEU A 502 0.559 -6.286 2.687 1.00 0.00 O ATOM 724 CB LEU A 502 0.804 -3.386 1.521 1.00 0.00 C ATOM 725 CG LEU A 502 2.070 -4.186 1.211 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.656 -3.762 -0.126 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.095 -4.013 2.323 1.00 0.00 C ATOM 0 H LEU A 502 1.299 -4.159 4.095 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.109 -3.515 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.244 -3.257 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.099 -2.392 1.855 1.00 0.00 H new ATOM 0 HG LEU A 502 1.804 -5.241 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.556 -4.342 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.925 -3.937 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.907 -2.702 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 502 3.990 -4.589 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.356 -2.959 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.674 -4.367 3.264 1.00 0.00 H new ATOM 739 N PHE A 503 -1.410 -5.852 1.689 1.00 0.00 N ATOM 740 CA PHE A 503 -1.690 -7.251 1.388 1.00 0.00 C ATOM 741 C PHE A 503 -0.973 -7.686 0.113 1.00 0.00 C ATOM 742 O PHE A 503 -1.134 -7.074 -0.943 1.00 0.00 O ATOM 743 CB PHE A 503 -3.197 -7.470 1.240 1.00 0.00 C ATOM 744 CG PHE A 503 -3.571 -8.901 0.976 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.718 -9.797 2.022 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.776 -9.350 -0.319 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.062 -11.114 1.782 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.120 -10.665 -0.566 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.264 -11.548 0.486 1.00 0.00 C ATOM 0 H PHE A 503 -2.131 -5.201 1.377 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.321 -7.857 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.696 -7.134 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.568 -6.849 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.562 -9.463 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.665 -8.663 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.173 -11.803 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.276 -11.002 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.534 -12.576 0.296 1.00 0.00 H new ATOM 759 N SER A 504 -0.181 -8.748 0.221 1.00 0.00 N ATOM 760 CA SER A 504 0.565 -9.264 -0.921 1.00 0.00 C ATOM 761 C SER A 504 -0.319 -10.156 -1.789 1.00 0.00 C ATOM 762 O SER A 504 -1.296 -10.733 -1.311 1.00 0.00 O ATOM 763 CB SER A 504 1.789 -10.048 -0.446 1.00 0.00 C ATOM 764 OG SER A 504 2.786 -10.096 -1.452 1.00 0.00 O ATOM 0 H SER A 504 -0.039 -9.268 1.087 1.00 0.00 H new ATOM 0 HA SER A 504 0.896 -8.416 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.196 -9.583 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.493 -11.061 -0.174 1.00 0.00 H new ATOM 0 HG SER A 504 3.559 -10.601 -1.123 1.00 0.00 H new ATOM 770 N ASP A 505 0.033 -10.265 -3.065 1.00 0.00 N ATOM 771 CA ASP A 505 -0.726 -11.087 -4.000 1.00 0.00 C ATOM 772 C ASP A 505 -0.023 -12.419 -4.247 1.00 0.00 C ATOM 773 O ASP A 505 -0.583 -13.322 -4.870 1.00 0.00 O ATOM 774 CB ASP A 505 -0.920 -10.345 -5.324 1.00 0.00 C ATOM 775 CG ASP A 505 0.342 -10.323 -6.165 1.00 0.00 C ATOM 776 OD1 ASP A 505 1.227 -9.489 -5.883 1.00 0.00 O ATOM 777 OD2 ASP A 505 0.443 -11.138 -7.105 1.00 0.00 O ATOM 0 H ASP A 505 0.839 -9.794 -3.476 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.702 -11.288 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -1.722 -10.820 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.236 -9.322 -5.121 1.00 0.00 H new ATOM 782 N LEU A 506 1.205 -12.533 -3.755 1.00 0.00 N ATOM 783 CA LEU A 506 1.986 -13.754 -3.923 1.00 0.00 C ATOM 784 C LEU A 506 1.921 -14.619 -2.668 1.00 0.00 C ATOM 785 O LEU A 506 1.548 -15.791 -2.726 1.00 0.00 O ATOM 786 CB LEU A 506 3.441 -13.412 -4.246 1.00 0.00 C ATOM 787 CG LEU A 506 3.728 -12.993 -5.689 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.109 -12.365 -5.797 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.607 -14.186 -6.625 1.00 0.00 C ATOM 0 H LEU A 506 1.682 -11.795 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 506 1.559 -14.318 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.759 -12.606 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 506 4.058 -14.279 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 506 2.989 -12.249 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.296 -12.073 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.159 -11.485 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.863 -13.087 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.814 -13.869 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.323 -14.953 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.597 -14.591 -6.569 1.00 0.00 H new ATOM 801 N THR A 507 2.285 -14.032 -1.532 1.00 0.00 N ATOM 802 CA THR A 507 2.268 -14.748 -0.263 1.00 0.00 C ATOM 803 C THR A 507 0.882 -14.709 0.371 1.00 0.00 C ATOM 804 O THR A 507 0.685 -15.196 1.484 1.00 0.00 O ATOM 805 CB THR A 507 3.290 -14.159 0.728 1.00 0.00 C ATOM 806 OG1 THR A 507 2.970 -12.792 1.007 1.00 0.00 O ATOM 807 CG2 THR A 507 4.701 -14.251 0.168 1.00 0.00 C ATOM 0 H THR A 507 2.595 -13.063 -1.465 1.00 0.00 H new ATOM 0 HA THR A 507 2.537 -15.782 -0.479 1.00 0.00 H new ATOM 0 HB THR A 507 3.244 -14.738 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.705 -12.380 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.405 -13.829 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.952 -15.296 -0.016 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.758 -13.694 -0.767 1.00 0.00 H new ATOM 815 N MET A 508 -0.075 -14.127 -0.344 1.00 0.00 N ATOM 816 CA MET A 508 -1.443 -14.026 0.149 1.00 0.00 C ATOM 817 C MET A 508 -1.463 -13.818 1.660 1.00 0.00 C ATOM 818 O MET A 508 -2.100 -14.576 2.393 1.00 0.00 O ATOM 819 CB MET A 508 -2.233 -15.285 -0.214 1.00 0.00 C ATOM 820 CG MET A 508 -1.994 -15.762 -1.638 1.00 0.00 C ATOM 821 SD MET A 508 -3.293 -16.866 -2.227 1.00 0.00 S ATOM 822 CE MET A 508 -3.471 -16.307 -3.919 1.00 0.00 C ATOM 0 H MET A 508 0.072 -13.718 -1.267 1.00 0.00 H new ATOM 0 HA MET A 508 -1.910 -13.163 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.966 -16.084 0.478 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.297 -15.088 -0.079 1.00 0.00 H new ATOM 0 HG2 MET A 508 -1.928 -14.899 -2.300 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.034 -16.277 -1.689 1.00 0.00 H new ATOM 0 HE1 MET A 508 -4.241 -16.896 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 508 -3.757 -15.255 -3.927 1.00 0.00 H new ATOM 0 HE3 MET A 508 -2.524 -16.430 -4.444 1.00 0.00 H new ATOM 832 N HIS A 509 -0.761 -12.787 2.121 1.00 0.00 N ATOM 833 CA HIS A 509 -0.698 -12.480 3.545 1.00 0.00 C ATOM 834 C HIS A 509 -0.532 -10.980 3.770 1.00 0.00 C ATOM 835 O HIS A 509 -0.428 -10.208 2.818 1.00 0.00 O ATOM 836 CB HIS A 509 0.456 -13.238 4.201 1.00 0.00 C ATOM 837 CG HIS A 509 0.190 -14.701 4.377 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.958 -15.192 4.963 1.00 0.00 N ATOM 839 CD2 HIS A 509 0.929 -15.783 4.037 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.911 -16.512 4.978 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.223 -16.896 4.421 1.00 0.00 N ATOM 0 H HIS A 509 -0.228 -12.150 1.529 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.636 -12.796 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.354 -13.111 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.663 -12.795 5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 509 1.895 -15.773 3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.671 -17.166 5.378 1.00 0.00 H new ATOM 0 HE2 HIS A 509 0.525 -17.862 4.296 1.00 0.00 H new ATOM 849 N GLU A 510 -0.507 -10.576 5.037 1.00 0.00 N ATOM 850 CA GLU A 510 -0.355 -9.169 5.386 1.00 0.00 C ATOM 851 C GLU A 510 1.094 -8.851 5.744 1.00 0.00 C ATOM 852 O GLU A 510 1.630 -9.365 6.726 1.00 0.00 O ATOM 853 CB GLU A 510 -1.272 -8.808 6.556 1.00 0.00 C ATOM 854 CG GLU A 510 -2.711 -8.548 6.145 1.00 0.00 C ATOM 855 CD GLU A 510 -3.665 -8.553 7.323 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.658 -7.572 8.097 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.419 -9.537 7.471 1.00 0.00 O ATOM 0 H GLU A 510 -0.590 -11.203 5.837 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.636 -8.574 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -1.252 -9.618 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.880 -7.921 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.771 -7.585 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -3.022 -9.307 5.427 1.00 0.00 H new ATOM 864 N LEU A 511 1.723 -8.000 4.940 1.00 0.00 N ATOM 865 CA LEU A 511 3.110 -7.612 5.171 1.00 0.00 C ATOM 866 C LEU A 511 3.193 -6.204 5.750 1.00 0.00 C ATOM 867 O LEU A 511 2.456 -5.307 5.339 1.00 0.00 O ATOM 868 CB LEU A 511 3.905 -7.687 3.866 1.00 0.00 C ATOM 869 CG LEU A 511 3.735 -8.969 3.049 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.336 -8.802 1.662 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.371 -10.149 3.770 1.00 0.00 C ATOM 0 H LEU A 511 1.294 -7.566 4.123 1.00 0.00 H new ATOM 0 HA LEU A 511 3.540 -8.307 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.619 -6.841 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.963 -7.567 4.101 1.00 0.00 H new ATOM 0 HG LEU A 511 2.669 -9.168 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.206 -9.724 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.835 -7.984 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.399 -8.578 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.241 -11.053 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.435 -9.958 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.894 -10.282 4.741 1.00 0.00 H new ATOM 883 N LYS A 512 4.097 -6.015 6.705 1.00 0.00 N ATOM 884 CA LYS A 512 4.281 -4.714 7.339 1.00 0.00 C ATOM 885 C LYS A 512 5.591 -4.072 6.894 1.00 0.00 C ATOM 886 O LYS A 512 6.671 -4.610 7.135 1.00 0.00 O ATOM 887 CB LYS A 512 4.264 -4.860 8.862 1.00 0.00 C ATOM 888 CG LYS A 512 4.395 -3.539 9.601 1.00 0.00 C ATOM 889 CD LYS A 512 5.850 -3.194 9.871 1.00 0.00 C ATOM 890 CE LYS A 512 6.317 -3.752 11.206 1.00 0.00 C ATOM 891 NZ LYS A 512 6.881 -5.123 11.067 1.00 0.00 N ATOM 0 H LYS A 512 4.714 -6.746 7.057 1.00 0.00 H new ATOM 0 HA LYS A 512 3.458 -4.068 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.334 -5.344 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.078 -5.518 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 512 3.935 -2.745 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.852 -3.593 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 512 6.474 -3.592 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.976 -2.111 9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.071 -3.091 11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.480 -3.773 11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.509 -5.323 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.107 -5.817 11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.422 -5.188 10.181 1.00 0.00 H new ATOM 905 N VAL A 513 5.487 -2.917 6.244 1.00 0.00 N ATOM 906 CA VAL A 513 6.664 -2.200 5.768 1.00 0.00 C ATOM 907 C VAL A 513 6.552 -0.707 6.057 1.00 0.00 C ATOM 908 O VAL A 513 5.459 -0.139 6.036 1.00 0.00 O ATOM 909 CB VAL A 513 6.872 -2.404 4.255 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.170 -1.754 3.802 1.00 0.00 C ATOM 911 CG2 VAL A 513 6.860 -3.886 3.912 1.00 0.00 C ATOM 0 H VAL A 513 4.600 -2.458 6.035 1.00 0.00 H new ATOM 0 HA VAL A 513 7.521 -2.608 6.304 1.00 0.00 H new ATOM 0 HB VAL A 513 6.050 -1.924 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.300 -1.909 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.135 -0.685 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.007 -2.202 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.008 -4.012 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.662 -4.391 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.901 -4.318 4.199 1.00 0.00 H new ATOM 921 N LEU A 514 7.689 -0.075 6.326 1.00 0.00 N ATOM 922 CA LEU A 514 7.720 1.353 6.619 1.00 0.00 C ATOM 923 C LEU A 514 7.371 2.171 5.380 1.00 0.00 C ATOM 924 O LEU A 514 7.580 1.743 4.244 1.00 0.00 O ATOM 925 CB LEU A 514 9.101 1.758 7.139 1.00 0.00 C ATOM 926 CG LEU A 514 9.483 1.218 8.518 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.886 1.667 8.896 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.476 1.669 9.565 1.00 0.00 C ATOM 0 H LEU A 514 8.602 -0.529 6.347 1.00 0.00 H new ATOM 0 HA LEU A 514 6.975 1.557 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.850 1.425 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.151 2.846 7.170 1.00 0.00 H new ATOM 0 HG LEU A 514 9.471 0.129 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.141 1.274 9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.598 1.294 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.926 2.756 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.764 1.275 10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.456 2.758 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.486 1.297 9.301 1.00 0.00 H new ATOM 940 N PRO A 515 6.830 3.378 5.600 1.00 0.00 N ATOM 941 CA PRO A 515 6.444 4.283 4.513 1.00 0.00 C ATOM 942 C PRO A 515 7.651 4.851 3.775 1.00 0.00 C ATOM 943 O PRO A 515 7.504 5.605 2.813 1.00 0.00 O ATOM 944 CB PRO A 515 5.684 5.399 5.234 1.00 0.00 C ATOM 945 CG PRO A 515 6.222 5.388 6.623 1.00 0.00 C ATOM 946 CD PRO A 515 6.554 3.954 6.927 1.00 0.00 C ATOM 0 HA PRO A 515 5.857 3.774 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.848 6.364 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.609 5.216 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 515 7.107 6.019 6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.488 5.777 7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.417 3.873 7.588 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.726 3.446 7.421 1.00 0.00 H new ATOM 954 N ARG A 516 8.844 4.483 4.230 1.00 0.00 N ATOM 955 CA ARG A 516 10.077 4.957 3.613 1.00 0.00 C ATOM 956 C ARG A 516 10.600 3.946 2.598 1.00 0.00 C ATOM 957 O ARG A 516 11.512 4.241 1.825 1.00 0.00 O ATOM 958 CB ARG A 516 11.139 5.220 4.682 1.00 0.00 C ATOM 959 CG ARG A 516 11.339 4.057 5.640 1.00 0.00 C ATOM 960 CD ARG A 516 12.729 4.077 6.257 1.00 0.00 C ATOM 961 NE ARG A 516 12.905 5.200 7.174 1.00 0.00 N ATOM 962 CZ ARG A 516 14.039 5.453 7.819 1.00 0.00 C ATOM 963 NH1 ARG A 516 15.092 4.665 7.647 1.00 0.00 N ATOM 964 NH2 ARG A 516 14.121 6.494 8.636 1.00 0.00 N ATOM 0 H ARG A 516 8.983 3.858 5.024 1.00 0.00 H new ATOM 0 HA ARG A 516 9.858 5.889 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 516 12.087 5.444 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.857 6.105 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.589 4.101 6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.189 3.117 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.902 3.143 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.476 4.135 5.465 1.00 0.00 H new ATOM 0 HE ARG A 516 12.114 5.825 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 516 15.032 3.864 7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.962 4.861 8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 516 13.313 7.102 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 516 14.992 6.687 9.130 1.00 0.00 H new ATOM 978 N ASP A 517 10.018 2.752 2.606 1.00 0.00 N ATOM 979 CA ASP A 517 10.425 1.696 1.686 1.00 0.00 C ATOM 980 C ASP A 517 9.291 1.342 0.730 1.00 0.00 C ATOM 981 O ASP A 517 9.246 0.238 0.184 1.00 0.00 O ATOM 982 CB ASP A 517 10.861 0.453 2.463 1.00 0.00 C ATOM 983 CG ASP A 517 11.675 0.795 3.695 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.481 1.747 3.627 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.507 0.112 4.727 1.00 0.00 O ATOM 0 H ASP A 517 9.263 2.491 3.240 1.00 0.00 H new ATOM 0 HA ASP A 517 11.268 2.063 1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.979 -0.114 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.449 -0.192 1.810 1.00 0.00 H new ATOM 990 N LEU A 518 8.376 2.284 0.531 1.00 0.00 N ATOM 991 CA LEU A 518 7.240 2.071 -0.359 1.00 0.00 C ATOM 992 C LEU A 518 7.072 3.246 -1.318 1.00 0.00 C ATOM 993 O LEU A 518 7.461 4.371 -1.009 1.00 0.00 O ATOM 994 CB LEU A 518 5.959 1.875 0.454 1.00 0.00 C ATOM 995 CG LEU A 518 5.962 0.707 1.440 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.662 0.670 2.228 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.182 -0.609 0.707 1.00 0.00 C ATOM 0 H LEU A 518 8.398 3.203 0.974 1.00 0.00 H new ATOM 0 HA LEU A 518 7.432 1.172 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.761 2.792 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.130 1.737 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 518 6.784 0.851 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.683 -0.168 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.547 1.601 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.824 0.551 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.181 -1.430 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.382 -0.760 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.141 -0.581 0.189 1.00 0.00 H new ATOM 1009 N GLN A 519 6.490 2.975 -2.482 1.00 0.00 N ATOM 1010 CA GLN A 519 6.270 4.010 -3.485 1.00 0.00 C ATOM 1011 C GLN A 519 4.970 3.764 -4.244 1.00 0.00 C ATOM 1012 O GLN A 519 4.740 2.672 -4.765 1.00 0.00 O ATOM 1013 CB GLN A 519 7.444 4.060 -4.463 1.00 0.00 C ATOM 1014 CG GLN A 519 7.317 3.079 -5.618 1.00 0.00 C ATOM 1015 CD GLN A 519 6.516 3.642 -6.775 1.00 0.00 C ATOM 1016 OE1 GLN A 519 6.678 4.803 -7.151 1.00 0.00 O ATOM 1017 NE2 GLN A 519 5.645 2.819 -7.348 1.00 0.00 N ATOM 0 H GLN A 519 6.163 2.048 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 519 6.194 4.968 -2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.530 5.070 -4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.367 3.853 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.312 2.806 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.842 2.165 -5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 519 5.543 1.864 -7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 519 5.078 3.142 -8.132 1.00 0.00 H new ATOM 1026 N LEU A 520 4.123 4.786 -4.303 1.00 0.00 N ATOM 1027 CA LEU A 520 2.845 4.681 -4.999 1.00 0.00 C ATOM 1028 C LEU A 520 3.056 4.421 -6.488 1.00 0.00 C ATOM 1029 O LEU A 520 4.096 4.768 -7.048 1.00 0.00 O ATOM 1030 CB LEU A 520 2.029 5.960 -4.804 1.00 0.00 C ATOM 1031 CG LEU A 520 1.139 6.005 -3.562 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.401 7.332 -3.482 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.154 4.845 -3.569 1.00 0.00 C ATOM 0 H LEU A 520 4.298 5.696 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 520 2.297 3.839 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.718 6.804 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.400 6.103 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 520 1.774 5.912 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.228 7.346 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.123 8.147 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.222 7.456 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.471 4.893 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.475 4.907 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.702 3.903 -3.577 1.00 0.00 H new