USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 301 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 : X 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 10:sc= 0.502 USER MOD Single : X 467 TYR OH : rot 56:sc= 1.28 USER MOD Single : X 469 LYS NZ :NH3+ 164:sc= 0.0948 (180deg=0.0498) USER MOD Single : X 470 SER OG : rot 180:sc= 0.0047 USER MOD Single : X 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.271 USER MOD Single : X 482 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.3!) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -151:sc= -0.584 (180deg=-0.831) USER MOD Single : X 489 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0717) USER MOD Single : X 490 TYR OH : rot 110:sc= -1.6 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.245 5.185 1.537 1.00 61.44 N ATOM 395 CA GLU X 454 2.909 3.907 1.762 1.00 4.33 C ATOM 396 C GLU X 454 4.126 3.757 0.854 1.00 54.22 C ATOM 397 O GLU X 454 5.219 3.422 1.311 1.00 33.03 O ATOM 398 CB GLU X 454 1.935 2.751 1.521 1.00 4.25 C ATOM 399 CG GLU X 454 2.374 1.443 2.156 1.00 54.45 C ATOM 400 CD GLU X 454 1.212 0.508 2.429 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.224 0.952 3.050 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.290 -0.670 2.020 1.00 32.21 O ATOM 0 HA GLU X 454 3.245 3.880 2.798 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.955 3.025 1.913 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.819 2.603 0.447 1.00 4.25 H new ATOM 0 HG2 GLU X 454 3.088 0.946 1.499 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.893 1.654 3.091 1.00 54.45 H new ATOM 407 N LYS X 455 3.929 4.008 -0.436 1.00 25.33 N ATOM 408 CA LYS X 455 5.008 3.904 -1.411 1.00 0.54 C ATOM 409 C LYS X 455 6.112 4.912 -1.110 1.00 62.42 C ATOM 410 O LYS X 455 7.299 4.590 -1.188 1.00 21.12 O ATOM 411 CB LYS X 455 4.468 4.129 -2.825 1.00 34.23 C ATOM 412 CG LYS X 455 5.551 4.159 -3.891 1.00 13.52 C ATOM 413 CD LYS X 455 5.832 5.576 -4.361 1.00 51.32 C ATOM 414 CE LYS X 455 7.293 5.950 -4.160 1.00 3.43 C ATOM 415 NZ LYS X 455 7.711 7.055 -5.067 1.00 10.05 N ATOM 0 H LYS X 455 3.030 4.285 -0.831 1.00 25.33 H new ATOM 0 HA LYS X 455 5.429 2.901 -1.345 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.757 3.338 -3.064 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.919 5.070 -2.850 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.466 3.718 -3.494 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.245 3.547 -4.740 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.573 5.669 -5.416 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.198 6.274 -3.815 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.452 6.250 -3.124 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.920 5.076 -4.339 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.712 7.281 -4.900 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.583 6.760 -6.056 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.130 7.897 -4.879 1.00 10.05 H new ATOM 425 N LYS X 456 5.716 6.131 -0.764 1.00 23.55 N ATOM 426 CA LYS X 456 6.672 7.186 -0.448 1.00 51.54 C ATOM 427 C LYS X 456 7.502 6.818 0.778 1.00 23.14 C ATOM 428 O LYS X 456 8.699 7.102 0.836 1.00 54.11 O ATOM 429 CB LYS X 456 5.941 8.508 -0.204 1.00 65.35 C ATOM 430 CG LYS X 456 5.488 9.197 -1.480 1.00 12.34 C ATOM 431 CD LYS X 456 4.525 10.336 -1.188 1.00 41.13 C ATOM 432 CE LYS X 456 5.267 11.625 -0.871 1.00 35.30 C ATOM 433 NZ LYS X 456 4.423 12.826 -1.122 1.00 61.51 N ATOM 0 H LYS X 456 4.738 6.414 -0.695 1.00 23.55 H new ATOM 0 HA LYS X 456 7.344 7.301 -1.299 1.00 51.54 H new ATOM 0 HB2 LYS X 456 5.072 8.322 0.427 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.598 9.180 0.348 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.356 9.582 -2.015 1.00 12.34 H new ATOM 0 HG3 LYS X 456 5.006 8.471 -2.135 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.873 10.492 -2.047 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.885 10.067 -0.347 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.584 11.615 0.172 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.171 11.683 -1.478 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 4.964 13.684 -0.894 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.142 12.850 -2.123 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.573 12.784 -0.524 1.00 61.51 H new ATOM 443 N ARG X 457 6.860 6.185 1.754 1.00 71.11 N ATOM 444 CA ARG X 457 7.539 5.779 2.978 1.00 35.12 C ATOM 445 C ARG X 457 8.565 4.685 2.693 1.00 55.14 C ATOM 446 O ARG X 457 9.711 4.763 3.139 1.00 20.31 O ATOM 447 CB ARG X 457 6.525 5.285 4.011 1.00 21.50 C ATOM 448 CG ARG X 457 5.924 6.398 4.854 1.00 50.23 C ATOM 449 CD ARG X 457 6.885 6.856 5.939 1.00 12.04 C ATOM 450 NE ARG X 457 6.191 7.525 7.038 1.00 20.01 N ATOM 451 CZ ARG X 457 5.440 6.888 7.929 1.00 74.42 C ATOM 452 NH1 ARG X 457 5.286 5.574 7.853 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.841 7.566 8.899 1.00 51.31 N ATOM 0 H ARG X 457 5.870 5.942 1.721 1.00 71.11 H new ATOM 0 HA ARG X 457 8.061 6.648 3.379 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.723 4.757 3.496 1.00 21.50 H new ATOM 0 HB3 ARG X 457 7.011 4.564 4.669 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.667 7.242 4.214 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.997 6.050 5.310 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.432 5.996 6.326 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.621 7.535 5.508 1.00 12.04 H new ATOM 0 HE ARG X 457 6.289 8.537 7.125 1.00 20.01 H new ATOM 0 HH11 ARG X 457 5.745 5.049 7.109 1.00 71.32 H new ATOM 0 HH12 ARG X 457 4.709 5.088 8.539 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.957 8.577 8.961 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.264 7.076 9.583 1.00 51.31 H new ATOM 464 N ILE X 458 8.145 3.667 1.950 1.00 20.05 N ATOM 465 CA ILE X 458 9.026 2.559 1.606 1.00 63.42 C ATOM 466 C ILE X 458 10.247 3.046 0.833 1.00 45.00 C ATOM 467 O ILE X 458 11.385 2.767 1.212 1.00 10.42 O ATOM 468 CB ILE X 458 8.293 1.496 0.767 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.127 0.902 1.561 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.258 0.402 0.336 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.564 -0.032 2.667 1.00 74.53 C ATOM 0 H ILE X 458 7.200 3.587 1.575 1.00 20.05 H new ATOM 0 HA ILE X 458 9.349 2.110 2.545 1.00 63.42 H new ATOM 0 HB ILE X 458 7.893 1.974 -0.127 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.541 1.713 1.992 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.471 0.362 0.878 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.724 -0.341 -0.256 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.057 0.837 -0.263 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.685 -0.075 1.218 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.686 -0.415 3.187 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.125 -0.864 2.241 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.196 0.509 3.371 1.00 74.53 H new ATOM 482 N ILE X 459 10.003 3.776 -0.249 1.00 30.41 N ATOM 483 CA ILE X 459 11.082 4.306 -1.073 1.00 14.13 C ATOM 484 C ILE X 459 11.965 5.261 -0.276 1.00 54.12 C ATOM 485 O ILE X 459 13.181 5.296 -0.459 1.00 73.32 O ATOM 486 CB ILE X 459 10.536 5.041 -2.311 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.677 5.375 -3.277 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.801 6.306 -1.895 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.291 5.244 -4.734 1.00 14.20 C ATOM 0 H ILE X 459 9.067 4.014 -0.576 1.00 30.41 H new ATOM 0 HA ILE X 459 11.677 3.453 -1.400 1.00 14.13 H new ATOM 0 HB ILE X 459 9.831 4.386 -2.822 1.00 61.15 H new ATOM 0 HG12 ILE X 459 12.015 6.394 -3.089 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.521 4.716 -3.072 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.421 6.814 -2.781 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.969 6.045 -1.242 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.486 6.967 -1.364 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.146 5.495 -5.361 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.981 4.219 -4.937 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.467 5.923 -4.955 1.00 14.20 H new ATOM 500 N GLU X 460 11.342 6.032 0.610 1.00 70.03 N ATOM 501 CA GLU X 460 12.072 6.987 1.436 1.00 55.24 C ATOM 502 C GLU X 460 13.053 6.271 2.359 1.00 12.02 C ATOM 503 O GLU X 460 14.234 6.611 2.412 1.00 12.20 O ATOM 504 CB GLU X 460 11.098 7.829 2.263 1.00 64.30 C ATOM 505 CG GLU X 460 11.778 8.687 3.317 1.00 23.33 C ATOM 506 CD GLU X 460 10.904 9.832 3.790 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.721 9.583 4.105 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.402 10.975 3.846 1.00 44.32 O ATOM 0 H GLU X 460 10.335 6.014 0.774 1.00 70.03 H new ATOM 0 HA GLU X 460 12.637 7.643 0.774 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.529 8.474 1.593 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.383 7.167 2.751 1.00 64.30 H new ATOM 0 HG2 GLU X 460 12.046 8.063 4.170 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.707 9.088 2.910 1.00 23.33 H new ATOM 513 N ALA X 461 12.553 5.275 3.086 1.00 23.10 N ATOM 514 CA ALA X 461 13.384 4.509 4.006 1.00 30.24 C ATOM 515 C ALA X 461 14.519 3.808 3.267 1.00 45.21 C ATOM 516 O ALA X 461 15.666 3.817 3.716 1.00 60.24 O ATOM 517 CB ALA X 461 12.538 3.496 4.761 1.00 43.23 C ATOM 0 H ALA X 461 11.577 4.981 3.055 1.00 23.10 H new ATOM 0 HA ALA X 461 13.826 5.202 4.722 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.171 2.931 5.445 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.766 4.017 5.328 1.00 43.23 H new ATOM 0 HB3 ALA X 461 12.069 2.813 4.052 1.00 43.23 H new ATOM 523 N LEU X 462 14.192 3.199 2.131 1.00 41.14 N ATOM 524 CA LEU X 462 15.184 2.493 1.329 1.00 32.12 C ATOM 525 C LEU X 462 16.320 3.425 0.920 1.00 23.05 C ATOM 526 O LEU X 462 17.489 3.142 1.174 1.00 51.52 O ATOM 527 CB LEU X 462 14.528 1.892 0.084 1.00 22.31 C ATOM 528 CG LEU X 462 13.859 0.531 0.269 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.901 0.246 -0.878 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.905 -0.569 0.377 1.00 72.43 C ATOM 0 H LEU X 462 13.248 3.181 1.746 1.00 41.14 H new ATOM 0 HA LEU X 462 15.600 1.690 1.937 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.780 2.595 -0.283 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.287 1.799 -0.693 1.00 22.31 H new ATOM 0 HG LEU X 462 13.287 0.553 1.197 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.434 -0.728 -0.729 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.131 1.017 -0.909 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.451 0.244 -1.819 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.409 -1.531 0.508 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.505 -0.591 -0.533 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.551 -0.374 1.233 1.00 72.43 H new ATOM 541 N GLU X 463 15.965 4.539 0.288 1.00 4.01 N ATOM 542 CA GLU X 463 16.955 5.514 -0.155 1.00 14.12 C ATOM 543 C GLU X 463 17.782 6.022 1.023 1.00 33.23 C ATOM 544 O GLU X 463 18.987 6.243 0.901 1.00 3.32 O ATOM 545 CB GLU X 463 16.268 6.690 -0.854 1.00 41.55 C ATOM 546 CG GLU X 463 15.424 6.279 -2.048 1.00 22.34 C ATOM 547 CD GLU X 463 16.069 6.641 -3.371 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.312 6.757 -3.414 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.331 6.808 -4.364 1.00 1.41 O ATOM 0 H GLU X 463 15.000 4.789 0.071 1.00 4.01 H new ATOM 0 HA GLU X 463 17.623 5.021 -0.861 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.636 7.210 -0.135 1.00 41.55 H new ATOM 0 HB3 GLU X 463 17.027 7.400 -1.183 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.253 5.203 -2.014 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.448 6.759 -1.981 1.00 22.34 H new ATOM 554 N LYS X 464 17.127 6.206 2.164 1.00 23.51 N ATOM 555 CA LYS X 464 17.800 6.687 3.365 1.00 44.12 C ATOM 556 C LYS X 464 18.684 5.598 3.965 1.00 71.21 C ATOM 557 O LYS X 464 19.645 5.887 4.679 1.00 34.14 O ATOM 558 CB LYS X 464 16.772 7.152 4.399 1.00 41.33 C ATOM 559 CG LYS X 464 16.425 8.626 4.291 1.00 1.43 C ATOM 560 CD LYS X 464 15.039 8.915 4.842 1.00 74.45 C ATOM 561 CE LYS X 464 15.059 9.056 6.357 1.00 13.32 C ATOM 562 NZ LYS X 464 15.513 10.409 6.782 1.00 54.43 N ATOM 0 H LYS X 464 16.129 6.029 2.283 1.00 23.51 H new ATOM 0 HA LYS X 464 18.431 7.530 3.085 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.862 6.564 4.284 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.158 6.950 5.398 1.00 41.33 H new ATOM 0 HG2 LYS X 464 17.164 9.215 4.835 1.00 1.43 H new ATOM 0 HG3 LYS X 464 16.475 8.937 3.247 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.653 9.831 4.395 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.359 8.111 4.559 1.00 74.45 H new ATOM 0 HE2 LYS X 464 14.061 8.867 6.753 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.719 8.301 6.783 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 15.513 10.465 7.820 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 16.475 10.580 6.426 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 14.868 11.128 6.396 1.00 54.43 H new ATOM 572 N THR X 465 18.353 4.344 3.672 1.00 13.11 N ATOM 573 CA THR X 465 19.117 3.213 4.182 1.00 52.11 C ATOM 574 C THR X 465 20.195 2.786 3.193 1.00 75.51 C ATOM 575 O THR X 465 21.081 2.000 3.526 1.00 65.34 O ATOM 576 CB THR X 465 18.205 2.008 4.482 1.00 42.21 C ATOM 577 OG1 THR X 465 17.417 1.693 3.329 1.00 52.14 O ATOM 578 CG2 THR X 465 17.291 2.300 5.662 1.00 61.42 C ATOM 0 H THR X 465 17.560 4.087 3.084 1.00 13.11 H new ATOM 0 HA THR X 465 19.588 3.542 5.108 1.00 52.11 H new ATOM 0 HB THR X 465 18.837 1.157 4.735 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.740 2.209 2.561 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.657 1.434 5.854 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.894 2.512 6.545 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.666 3.164 5.433 1.00 61.42 H new ATOM 586 N GLY X 466 20.115 3.312 1.974 1.00 31.45 N ATOM 587 CA GLY X 466 21.091 2.973 0.955 1.00 73.12 C ATOM 588 C GLY X 466 20.613 1.863 0.040 1.00 2.02 C ATOM 589 O GLY X 466 21.390 0.988 -0.344 1.00 72.31 O ATOM 0 H GLY X 466 19.392 3.966 1.675 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.314 3.859 0.360 1.00 73.12 H new ATOM 0 HA3 GLY X 466 22.021 2.669 1.434 1.00 73.12 H new ATOM 593 N TYR X 467 19.332 1.898 -0.309 1.00 22.12 N ATOM 594 CA TYR X 467 18.750 0.884 -1.182 1.00 42.34 C ATOM 595 C TYR X 467 18.876 -0.505 -0.563 1.00 41.45 C ATOM 596 O TYR X 467 19.353 -1.441 -1.203 1.00 0.12 O ATOM 597 CB TYR X 467 19.432 0.908 -2.551 1.00 12.11 C ATOM 598 CG TYR X 467 19.330 2.243 -3.254 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.094 2.817 -3.522 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.471 2.930 -3.651 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.996 4.036 -4.164 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.384 4.150 -4.293 1.00 24.43 C ATOM 603 CZ TYR X 467 19.144 4.698 -4.547 1.00 42.32 C ATOM 604 OH TYR X 467 19.052 5.913 -5.187 1.00 45.41 O ATOM 0 H TYR X 467 18.677 2.617 -0.001 1.00 22.12 H new ATOM 0 HA TYR X 467 17.691 1.112 -1.306 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.484 0.651 -2.428 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.987 0.139 -3.183 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.194 2.301 -3.223 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.443 2.502 -3.454 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.027 4.468 -4.365 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.281 4.671 -4.594 1.00 24.43 H new ATOM 0 HH TYR X 467 18.533 6.535 -4.635 1.00 45.41 H new ATOM 613 N VAL X 468 18.444 -0.630 0.687 1.00 21.22 N ATOM 614 CA VAL X 468 18.505 -1.903 1.394 1.00 11.54 C ATOM 615 C VAL X 468 17.140 -2.289 1.953 1.00 22.10 C ATOM 616 O VAL X 468 16.548 -1.551 2.742 1.00 25.15 O ATOM 617 CB VAL X 468 19.526 -1.856 2.548 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.672 -3.229 3.187 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.868 -1.345 2.051 1.00 32.52 C ATOM 0 H VAL X 468 18.047 0.136 1.232 1.00 21.22 H new ATOM 0 HA VAL X 468 18.821 -2.652 0.668 1.00 11.54 H new ATOM 0 HB VAL X 468 19.159 -1.165 3.307 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.397 -3.177 4.000 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.708 -3.552 3.581 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.016 -3.944 2.439 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.576 -1.318 2.879 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.244 -2.009 1.272 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.747 -0.341 1.645 1.00 32.52 H new ATOM 629 N LYS X 469 16.644 -3.450 1.539 1.00 2.33 N ATOM 630 CA LYS X 469 15.349 -3.937 1.999 1.00 73.34 C ATOM 631 C LYS X 469 15.381 -4.242 3.493 1.00 0.52 C ATOM 632 O LYS X 469 14.488 -3.839 4.237 1.00 43.22 O ATOM 633 CB LYS X 469 14.946 -5.191 1.220 1.00 64.33 C ATOM 634 CG LYS X 469 14.434 -4.899 -0.180 1.00 65.33 C ATOM 635 CD LYS X 469 14.530 -6.122 -1.075 1.00 74.35 C ATOM 636 CE LYS X 469 13.679 -5.966 -2.327 1.00 63.33 C ATOM 637 NZ LYS X 469 12.264 -6.369 -2.088 1.00 50.11 N ATOM 0 H LYS X 469 17.120 -4.072 0.885 1.00 2.33 H new ATOM 0 HA LYS X 469 14.611 -3.154 1.822 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.805 -5.858 1.152 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.174 -5.722 1.777 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.397 -4.566 -0.127 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.009 -4.082 -0.616 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.570 -6.286 -1.359 1.00 74.35 H new ATOM 0 HD3 LYS X 469 14.208 -7.005 -0.522 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.710 -4.929 -2.661 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.099 -6.572 -3.130 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 11.665 -6.004 -2.855 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 12.198 -7.407 -2.062 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 11.940 -5.978 -1.180 1.00 50.11 H new ATOM 647 N SER X 470 16.417 -4.956 3.924 1.00 71.13 N ATOM 648 CA SER X 470 16.563 -5.317 5.329 1.00 51.22 C ATOM 649 C SER X 470 16.510 -4.077 6.217 1.00 51.22 C ATOM 650 O SER X 470 15.743 -4.021 7.178 1.00 14.32 O ATOM 651 CB SER X 470 17.882 -6.061 5.551 1.00 52.44 C ATOM 652 OG SER X 470 18.064 -7.076 4.579 1.00 5.24 O ATOM 0 H SER X 470 17.166 -5.295 3.321 1.00 71.13 H new ATOM 0 HA SER X 470 15.734 -5.971 5.599 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.713 -5.357 5.506 1.00 52.44 H new ATOM 0 HB3 SER X 470 17.891 -6.502 6.548 1.00 52.44 H new ATOM 0 HG SER X 470 18.914 -7.536 4.741 1.00 5.24 H new ATOM 657 N ARG X 471 17.331 -3.085 5.888 1.00 75.24 N ATOM 658 CA ARG X 471 17.380 -1.847 6.655 1.00 11.02 C ATOM 659 C ARG X 471 16.065 -1.082 6.535 1.00 64.24 C ATOM 660 O ARG X 471 15.489 -0.657 7.536 1.00 23.30 O ATOM 661 CB ARG X 471 18.538 -0.971 6.177 1.00 3.34 C ATOM 662 CG ARG X 471 19.907 -1.585 6.420 1.00 74.42 C ATOM 663 CD ARG X 471 20.965 -0.963 5.521 1.00 11.42 C ATOM 664 NE ARG X 471 22.263 -0.874 6.184 1.00 42.13 N ATOM 665 CZ ARG X 471 22.517 -0.047 7.193 1.00 73.44 C ATOM 666 NH1 ARG X 471 21.567 0.756 7.652 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.724 -0.024 7.744 1.00 13.40 N ATOM 0 H ARG X 471 17.972 -3.115 5.095 1.00 75.24 H new ATOM 0 HA ARG X 471 17.537 -2.104 7.703 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.420 -0.778 5.111 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.486 -0.007 6.683 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.189 -1.447 7.464 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.862 -2.659 6.241 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.062 -1.556 4.612 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.643 0.034 5.219 1.00 11.42 H new ATOM 0 HE ARG X 471 23.015 -1.479 5.855 1.00 42.13 H new ATOM 0 HH11 ARG X 471 20.638 0.740 7.231 1.00 54.24 H new ATOM 0 HH12 ARG X 471 21.765 1.390 8.426 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.457 -0.641 7.393 1.00 13.40 H new ATOM 0 HH22 ARG X 471 23.919 0.611 8.518 1.00 13.40 H new ATOM 678 N ALA X 472 15.598 -0.907 5.303 1.00 63.50 N ATOM 679 CA ALA X 472 14.352 -0.195 5.052 1.00 51.02 C ATOM 680 C ALA X 472 13.196 -0.821 5.823 1.00 14.44 C ATOM 681 O ALA X 472 12.295 -0.122 6.286 1.00 62.31 O ATOM 682 CB ALA X 472 14.046 -0.176 3.561 1.00 12.21 C ATOM 0 H ALA X 472 16.065 -1.249 4.463 1.00 63.50 H new ATOM 0 HA ALA X 472 14.473 0.831 5.400 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.112 0.359 3.388 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.855 0.325 3.030 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.951 -1.199 3.196 1.00 12.21 H new ATOM 688 N ALA X 473 13.228 -2.143 5.957 1.00 33.12 N ATOM 689 CA ALA X 473 12.183 -2.864 6.675 1.00 5.31 C ATOM 690 C ALA X 473 12.279 -2.618 8.176 1.00 1.25 C ATOM 691 O ALA X 473 11.299 -2.236 8.817 1.00 50.13 O ATOM 692 CB ALA X 473 12.267 -4.352 6.374 1.00 61.31 C ATOM 0 H ALA X 473 13.966 -2.737 5.578 1.00 33.12 H new ATOM 0 HA ALA X 473 11.217 -2.490 6.334 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.481 -4.878 6.916 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.140 -4.514 5.304 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.240 -4.732 6.686 1.00 61.31 H new ATOM 698 N LYS X 474 13.464 -2.839 8.733 1.00 62.03 N ATOM 699 CA LYS X 474 13.689 -2.642 10.161 1.00 24.40 C ATOM 700 C LYS X 474 13.475 -1.183 10.548 1.00 54.40 C ATOM 701 O LYS X 474 13.044 -0.883 11.662 1.00 74.45 O ATOM 702 CB LYS X 474 15.106 -3.080 10.540 1.00 34.32 C ATOM 703 CG LYS X 474 16.118 -1.946 10.521 1.00 3.21 C ATOM 704 CD LYS X 474 17.543 -2.471 10.535 1.00 54.32 C ATOM 705 CE LYS X 474 18.551 -1.342 10.694 1.00 20.00 C ATOM 706 NZ LYS X 474 19.801 -1.805 11.357 1.00 3.13 N ATOM 0 H LYS X 474 14.285 -3.155 8.217 1.00 62.03 H new ATOM 0 HA LYS X 474 12.969 -3.253 10.705 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.087 -3.522 11.536 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.433 -3.859 9.852 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.963 -1.334 9.632 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.959 -1.300 11.385 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.661 -3.184 11.351 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.742 -3.011 9.609 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.791 -0.929 9.714 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.106 -0.537 11.279 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 20.462 -1.007 11.447 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.576 -2.176 12.302 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 20.240 -2.555 10.786 1.00 3.13 H new ATOM 716 N LEU X 475 13.778 -0.279 9.623 1.00 10.44 N ATOM 717 CA LEU X 475 13.617 1.150 9.868 1.00 74.31 C ATOM 718 C LEU X 475 12.141 1.540 9.871 1.00 24.12 C ATOM 719 O LEU X 475 11.666 2.202 10.793 1.00 74.13 O ATOM 720 CB LEU X 475 14.366 1.957 8.805 1.00 52.05 C ATOM 721 CG LEU X 475 14.838 3.348 9.229 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.907 3.862 8.278 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.663 4.316 9.285 1.00 53.02 C ATOM 0 H LEU X 475 14.137 -0.510 8.696 1.00 10.44 H new ATOM 0 HA LEU X 475 14.035 1.374 10.849 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.235 1.382 8.486 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.718 2.064 7.935 1.00 52.05 H new ATOM 0 HG LEU X 475 15.272 3.275 10.226 1.00 5.43 H new ATOM 0 HD11 LEU X 475 16.231 4.853 8.596 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.759 3.182 8.286 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.499 3.920 7.269 1.00 24.51 H new ATOM 0 HD21 LEU X 475 14.017 5.301 9.588 1.00 53.02 H new ATOM 0 HD22 LEU X 475 13.201 4.384 8.300 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.929 3.956 10.006 1.00 53.02 H new ATOM 734 N LEU X 476 11.422 1.121 8.835 1.00 14.12 N ATOM 735 CA LEU X 476 10.000 1.423 8.720 1.00 2.33 C ATOM 736 C LEU X 476 9.202 0.715 9.810 1.00 41.31 C ATOM 737 O LEU X 476 8.309 1.301 10.420 1.00 65.41 O ATOM 738 CB LEU X 476 9.480 1.008 7.342 1.00 21.22 C ATOM 739 CG LEU X 476 9.886 1.907 6.174 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.908 1.117 4.874 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.942 3.095 6.061 1.00 71.10 C ATOM 0 H LEU X 476 11.800 0.572 8.063 1.00 14.12 H new ATOM 0 HA LEU X 476 9.872 2.499 8.842 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.828 -0.004 7.134 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.391 0.969 7.383 1.00 21.22 H new ATOM 0 HG LEU X 476 10.891 2.284 6.364 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.199 1.774 4.054 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.625 0.300 4.957 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.916 0.710 4.678 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.247 3.724 5.224 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.926 2.738 5.895 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.976 3.676 6.983 1.00 71.10 H new ATOM 752 N GLY X 477 9.533 -0.549 10.052 1.00 45.23 N ATOM 753 CA GLY X 477 8.839 -1.316 11.072 1.00 22.13 C ATOM 754 C GLY X 477 8.136 -2.532 10.503 1.00 61.31 C ATOM 755 O GLY X 477 7.213 -3.067 11.118 1.00 35.21 O ATOM 0 H GLY X 477 10.269 -1.056 9.561 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.553 -1.635 11.831 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.109 -0.677 11.569 1.00 22.13 H new ATOM 759 N TYR X 478 8.570 -2.970 9.326 1.00 41.35 N ATOM 760 CA TYR X 478 7.973 -4.128 8.674 1.00 51.13 C ATOM 761 C TYR X 478 9.006 -5.231 8.467 1.00 65.31 C ATOM 762 O TYR X 478 10.213 -4.986 8.518 1.00 40.51 O ATOM 763 CB TYR X 478 7.366 -3.724 7.329 1.00 71.43 C ATOM 764 CG TYR X 478 6.545 -2.457 7.390 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.667 -2.225 8.442 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.645 -1.491 6.397 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.914 -1.068 8.503 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.898 -0.331 6.450 1.00 51.13 C ATOM 769 CZ TYR X 478 5.033 -0.125 7.504 1.00 63.32 C ATOM 770 OH TYR X 478 4.285 1.029 7.561 1.00 43.33 O ATOM 0 H TYR X 478 9.334 -2.540 8.804 1.00 41.35 H new ATOM 0 HA TYR X 478 7.185 -4.511 9.322 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.168 -3.592 6.603 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.737 -4.537 6.965 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.572 -2.962 9.226 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.319 -1.650 5.568 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.237 -0.903 9.328 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.991 0.411 5.670 1.00 51.13 H new ATOM 0 HH TYR X 478 4.487 1.589 6.782 1.00 43.33 H new ATOM 779 N THR X 479 8.525 -6.448 8.233 1.00 31.11 N ATOM 780 CA THR X 479 9.406 -7.589 8.019 1.00 32.34 C ATOM 781 C THR X 479 9.778 -7.730 6.548 1.00 71.23 C ATOM 782 O THR X 479 9.146 -7.129 5.678 1.00 3.54 O ATOM 783 CB THR X 479 8.753 -8.900 8.500 1.00 31.32 C ATOM 784 OG1 THR X 479 9.629 -10.004 8.246 1.00 41.35 O ATOM 785 CG2 THR X 479 7.423 -9.129 7.799 1.00 33.32 C ATOM 0 H THR X 479 7.530 -6.669 8.187 1.00 31.11 H new ATOM 0 HA THR X 479 10.308 -7.405 8.602 1.00 32.34 H new ATOM 0 HB THR X 479 8.572 -8.820 9.572 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.208 -10.833 8.556 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.980 -10.060 8.154 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.749 -8.300 8.017 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.585 -9.191 6.723 1.00 33.32 H new ATOM 793 N LEU X 480 10.806 -8.525 6.275 1.00 51.22 N ATOM 794 CA LEU X 480 11.262 -8.745 4.907 1.00 73.24 C ATOM 795 C LEU X 480 10.096 -9.124 3.999 1.00 73.11 C ATOM 796 O LEU X 480 10.042 -8.715 2.840 1.00 12.40 O ATOM 797 CB LEU X 480 12.328 -9.842 4.874 1.00 54.35 C ATOM 798 CG LEU X 480 12.689 -10.385 3.491 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.254 -9.278 2.615 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.681 -11.532 3.611 1.00 24.30 C ATOM 0 H LEU X 480 11.340 -9.029 6.983 1.00 51.22 H new ATOM 0 HA LEU X 480 11.696 -7.815 4.540 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.235 -9.454 5.338 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.985 -10.673 5.490 1.00 54.35 H new ATOM 0 HG LEU X 480 11.781 -10.764 3.022 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.505 -9.682 1.635 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.511 -8.488 2.502 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.151 -8.869 3.079 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.927 -11.906 2.617 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.589 -11.178 4.100 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.240 -12.335 4.202 1.00 24.30 H new ATOM 811 N ARG X 481 9.166 -9.907 4.535 1.00 60.01 N ATOM 812 CA ARG X 481 8.001 -10.340 3.774 1.00 5.23 C ATOM 813 C ARG X 481 7.102 -9.155 3.434 1.00 63.40 C ATOM 814 O ARG X 481 6.727 -8.960 2.278 1.00 34.21 O ATOM 815 CB ARG X 481 7.209 -11.385 4.562 1.00 22.32 C ATOM 816 CG ARG X 481 6.435 -12.353 3.684 1.00 15.42 C ATOM 817 CD ARG X 481 7.363 -13.331 2.980 1.00 33.20 C ATOM 818 NE ARG X 481 6.635 -14.237 2.095 1.00 11.02 N ATOM 819 CZ ARG X 481 7.212 -14.942 1.129 1.00 23.35 C ATOM 820 NH1 ARG X 481 8.519 -14.846 0.924 1.00 64.23 N ATOM 821 NH2 ARG X 481 6.482 -15.745 0.366 1.00 54.34 N ATOM 0 H ARG X 481 9.197 -10.254 5.493 1.00 60.01 H new ATOM 0 HA ARG X 481 8.352 -10.786 2.844 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.896 -11.950 5.192 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.512 -10.875 5.227 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.718 -12.904 4.292 1.00 15.42 H new ATOM 0 HG3 ARG X 481 5.862 -11.795 2.943 1.00 15.42 H new ATOM 0 HD2 ARG X 481 8.103 -12.777 2.402 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.909 -13.912 3.723 1.00 33.20 H new ATOM 0 HE ARG X 481 5.628 -14.333 2.226 1.00 11.02 H new ATOM 0 HH11 ARG X 481 9.083 -14.230 1.509 1.00 64.23 H new ATOM 0 HH12 ARG X 481 8.960 -15.389 0.181 1.00 64.23 H new ATOM 0 HH21 ARG X 481 5.477 -15.821 0.521 1.00 54.34 H new ATOM 0 HH22 ARG X 481 6.926 -16.286 -0.376 1.00 54.34 H new ATOM 832 N GLN X 482 6.761 -8.367 4.448 1.00 43.45 N ATOM 833 CA GLN X 482 5.906 -7.202 4.256 1.00 74.43 C ATOM 834 C GLN X 482 6.551 -6.205 3.300 1.00 15.22 C ATOM 835 O GLN X 482 5.950 -5.811 2.298 1.00 24.12 O ATOM 836 CB GLN X 482 5.618 -6.527 5.599 1.00 61.30 C ATOM 837 CG GLN X 482 4.674 -7.318 6.487 1.00 11.44 C ATOM 838 CD GLN X 482 3.411 -7.747 5.764 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.409 -8.733 5.028 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.331 -7.003 5.970 1.00 62.51 N ATOM 0 H GLN X 482 7.064 -8.514 5.411 1.00 43.45 H new ATOM 0 HA GLN X 482 4.967 -7.540 3.819 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.559 -6.374 6.128 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.191 -5.541 5.416 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.190 -8.201 6.863 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.404 -6.713 7.353 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.380 -6.194 6.589 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.453 -7.241 5.509 1.00 62.51 H new ATOM 847 N LEU X 483 7.776 -5.799 3.613 1.00 30.43 N ATOM 848 CA LEU X 483 8.504 -4.847 2.782 1.00 23.25 C ATOM 849 C LEU X 483 8.563 -5.322 1.334 1.00 43.34 C ATOM 850 O LEU X 483 8.209 -4.584 0.413 1.00 12.42 O ATOM 851 CB LEU X 483 9.920 -4.645 3.323 1.00 32.11 C ATOM 852 CG LEU X 483 10.675 -3.426 2.791 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.543 -2.255 3.751 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.140 -3.765 2.559 1.00 65.25 C ATOM 0 H LEU X 483 8.287 -6.115 4.438 1.00 30.43 H new ATOM 0 HA LEU X 483 7.972 -3.896 2.812 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.865 -4.568 4.409 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.505 -5.537 3.096 1.00 32.11 H new ATOM 0 HG LEU X 483 10.234 -3.138 1.837 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.087 -1.397 3.355 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.491 -1.996 3.866 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.957 -2.531 4.721 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.661 -2.886 2.181 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.594 -4.080 3.499 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.216 -4.573 1.831 1.00 65.25 H new ATOM 865 N ASP X 484 9.009 -6.558 1.140 1.00 4.40 N ATOM 866 CA ASP X 484 9.111 -7.134 -0.196 1.00 74.33 C ATOM 867 C ASP X 484 7.780 -7.030 -0.935 1.00 23.13 C ATOM 868 O ASP X 484 7.732 -6.608 -2.090 1.00 2.41 O ATOM 869 CB ASP X 484 9.549 -8.596 -0.111 1.00 53.22 C ATOM 870 CG ASP X 484 9.808 -9.202 -1.477 1.00 43.05 C ATOM 871 OD1 ASP X 484 8.830 -9.606 -2.142 1.00 12.45 O ATOM 872 OD2 ASP X 484 10.987 -9.273 -1.881 1.00 13.14 O ATOM 0 H ASP X 484 9.306 -7.181 1.891 1.00 4.40 H new ATOM 0 HA ASP X 484 9.860 -6.571 -0.753 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.454 -8.667 0.492 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.779 -9.174 0.400 1.00 53.22 H new ATOM 876 N TYR X 485 6.704 -7.419 -0.262 1.00 62.24 N ATOM 877 CA TYR X 485 5.373 -7.373 -0.856 1.00 54.52 C ATOM 878 C TYR X 485 5.029 -5.958 -1.315 1.00 35.33 C ATOM 879 O TYR X 485 4.368 -5.769 -2.334 1.00 43.32 O ATOM 880 CB TYR X 485 4.327 -7.865 0.146 1.00 42.42 C ATOM 881 CG TYR X 485 3.140 -8.541 -0.501 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.286 -9.747 -1.175 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.873 -7.975 -0.439 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.204 -10.369 -1.769 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.786 -8.590 -1.027 1.00 35.54 C ATOM 886 CZ TYR X 485 0.956 -9.788 -1.692 1.00 72.11 C ATOM 887 OH TYR X 485 -0.124 -10.403 -2.281 1.00 32.54 O ATOM 0 H TYR X 485 6.727 -7.770 0.695 1.00 62.24 H new ATOM 0 HA TYR X 485 5.369 -8.029 -1.727 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.799 -8.562 0.838 1.00 42.42 H new ATOM 0 HB3 TYR X 485 3.975 -7.019 0.736 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.262 -10.206 -1.236 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.736 -7.037 0.078 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.335 -11.305 -2.291 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.192 -8.136 -0.967 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.929 -9.863 -2.133 1.00 32.54 H new ATOM 896 N ARG X 486 5.484 -4.970 -0.552 1.00 30.20 N ATOM 897 CA ARG X 486 5.225 -3.573 -0.878 1.00 23.23 C ATOM 898 C ARG X 486 6.044 -3.137 -2.090 1.00 23.24 C ATOM 899 O ARG X 486 5.563 -2.383 -2.937 1.00 73.10 O ATOM 900 CB ARG X 486 5.552 -2.678 0.319 1.00 32.34 C ATOM 901 CG ARG X 486 4.342 -2.344 1.178 1.00 43.42 C ATOM 902 CD ARG X 486 4.057 -3.444 2.188 1.00 11.40 C ATOM 903 NE ARG X 486 2.678 -3.403 2.666 1.00 15.11 N ATOM 904 CZ ARG X 486 2.066 -4.435 3.236 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.709 -5.584 3.398 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.810 -4.321 3.646 1.00 1.14 N ATOM 0 H ARG X 486 6.033 -5.111 0.296 1.00 30.20 H new ATOM 0 HA ARG X 486 4.167 -3.473 -1.120 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.301 -3.172 0.938 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.998 -1.751 -0.042 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.514 -1.403 1.701 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.470 -2.199 0.540 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.254 -4.414 1.733 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.737 -3.345 3.034 1.00 11.40 H new ATOM 0 HE ARG X 486 2.156 -2.534 2.556 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.675 -5.676 3.085 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.237 -6.375 3.836 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.312 -3.439 3.524 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.342 -5.115 4.083 1.00 1.14 H new ATOM 917 N ILE X 487 7.281 -3.616 -2.165 1.00 12.05 N ATOM 918 CA ILE X 487 8.164 -3.276 -3.274 1.00 10.12 C ATOM 919 C ILE X 487 7.613 -3.798 -4.597 1.00 62.30 C ATOM 920 O ILE X 487 7.666 -3.111 -5.618 1.00 15.43 O ATOM 921 CB ILE X 487 9.579 -3.845 -3.061 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.213 -3.240 -1.806 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.448 -3.577 -4.281 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.257 -1.729 -1.821 1.00 35.13 C ATOM 0 H ILE X 487 7.694 -4.240 -1.472 1.00 12.05 H new ATOM 0 HA ILE X 487 8.219 -2.188 -3.310 1.00 10.12 H new ATOM 0 HB ILE X 487 9.503 -4.924 -2.923 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.654 -3.571 -0.931 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.228 -3.624 -1.700 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.445 -3.985 -4.114 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.003 -4.051 -5.156 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.519 -2.502 -4.448 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.719 -1.369 -0.901 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.841 -1.390 -2.677 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.243 -1.336 -1.896 1.00 35.13 H new ATOM 935 N LYS X 488 7.082 -5.015 -4.572 1.00 1.41 N ATOM 936 CA LYS X 488 6.517 -5.629 -5.767 1.00 43.53 C ATOM 937 C LYS X 488 5.176 -4.995 -6.122 1.00 53.44 C ATOM 938 O LYS X 488 4.875 -4.771 -7.295 1.00 72.22 O ATOM 939 CB LYS X 488 6.341 -7.135 -5.558 1.00 2.51 C ATOM 940 CG LYS X 488 5.468 -7.485 -4.366 1.00 3.34 C ATOM 941 CD LYS X 488 5.377 -8.988 -4.163 1.00 3.43 C ATOM 942 CE LYS X 488 4.806 -9.683 -5.389 1.00 41.43 C ATOM 943 NZ LYS X 488 3.531 -9.056 -5.837 1.00 22.33 N ATOM 0 H LYS X 488 7.031 -5.597 -3.736 1.00 1.41 H new ATOM 0 HA LYS X 488 7.209 -5.461 -6.592 1.00 43.53 H new ATOM 0 HB2 LYS X 488 5.905 -7.570 -6.457 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.322 -7.592 -5.426 1.00 2.51 H new ATOM 0 HG2 LYS X 488 5.874 -7.020 -3.468 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.469 -7.076 -4.513 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.368 -9.387 -3.946 1.00 3.43 H new ATOM 0 HD3 LYS X 488 4.750 -9.202 -3.297 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.534 -9.646 -6.200 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.634 -10.735 -5.163 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 2.937 -9.772 -6.302 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.027 -8.668 -5.014 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.738 -8.289 -6.509 1.00 22.33 H new ATOM 953 N LYS X 489 4.375 -4.706 -5.103 1.00 24.34 N ATOM 954 CA LYS X 489 3.067 -4.095 -5.306 1.00 21.32 C ATOM 955 C LYS X 489 3.208 -2.664 -5.817 1.00 63.33 C ATOM 956 O LYS X 489 2.517 -2.257 -6.750 1.00 53.33 O ATOM 957 CB LYS X 489 2.266 -4.106 -4.002 1.00 54.52 C ATOM 958 CG LYS X 489 1.233 -5.216 -3.932 1.00 54.51 C ATOM 959 CD LYS X 489 1.879 -6.588 -4.034 1.00 14.12 C ATOM 960 CE LYS X 489 0.837 -7.686 -4.171 1.00 62.31 C ATOM 961 NZ LYS X 489 0.205 -7.686 -5.520 1.00 3.10 N ATOM 0 H LYS X 489 4.609 -4.885 -4.127 1.00 24.34 H new ATOM 0 HA LYS X 489 2.534 -4.679 -6.056 1.00 21.32 H new ATOM 0 HB2 LYS X 489 2.955 -4.209 -3.163 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.763 -3.146 -3.886 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.681 -5.142 -2.995 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.510 -5.093 -4.738 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.550 -6.612 -4.893 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.488 -6.771 -3.149 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.303 -8.654 -3.989 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.068 -7.554 -3.410 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.385 -8.536 -5.627 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.388 -6.838 -5.626 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 0.945 -7.684 -6.250 1.00 3.10 H new ATOM 971 N TYR X 490 4.109 -1.908 -5.199 1.00 63.10 N ATOM 972 CA TYR X 490 4.340 -0.522 -5.591 1.00 65.13 C ATOM 973 C TYR X 490 5.394 -0.435 -6.689 1.00 43.30 C ATOM 974 O TYR X 490 5.704 0.647 -7.185 1.00 45.35 O ATOM 975 CB TYR X 490 4.778 0.305 -4.380 1.00 31.24 C ATOM 976 CG TYR X 490 3.722 0.412 -3.305 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.483 0.981 -3.574 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.961 -0.057 -2.018 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.515 1.082 -2.594 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.998 0.038 -1.033 1.00 30.22 C ATOM 981 CZ TYR X 490 1.777 0.609 -1.325 1.00 51.31 C ATOM 982 OH TYR X 490 0.815 0.706 -0.346 1.00 54.23 O ATOM 0 H TYR X 490 4.691 -2.231 -4.426 1.00 63.10 H new ATOM 0 HA TYR X 490 3.404 -0.119 -5.979 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.676 -0.141 -3.952 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.048 1.307 -4.714 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.273 1.351 -4.567 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.916 -0.503 -1.785 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.558 1.529 -2.820 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.200 -0.333 -0.039 1.00 30.22 H new ATOM 0 HH TYR X 490 0.472 -0.187 -0.134 1.00 54.23 H new ATOM 991 N GLY X 491 5.942 -1.586 -7.067 1.00 12.33 N ATOM 992 CA GLY X 491 6.955 -1.620 -8.106 1.00 73.13 C ATOM 993 C GLY X 491 8.083 -0.640 -7.847 1.00 70.25 C ATOM 994 O GLY X 491 8.533 0.052 -8.760 1.00 25.21 O ATOM 0 H GLY X 491 5.703 -2.496 -6.672 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.363 -2.628 -8.179 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.494 -1.393 -9.067 1.00 73.13 H new ATOM 998 N ILE X 492 8.538 -0.579 -6.601 1.00 33.34 N ATOM 999 CA ILE X 492 9.618 0.324 -6.226 1.00 12.35 C ATOM 1000 C ILE X 492 10.968 -0.208 -6.697 1.00 73.33 C ATOM 1001 O ILE X 492 11.148 -1.414 -6.859 1.00 45.43 O ATOM 1002 CB ILE X 492 9.668 0.540 -4.702 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.262 0.793 -4.154 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.593 1.700 -4.361 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.221 0.966 -2.652 1.00 21.21 C ATOM 0 H ILE X 492 8.175 -1.145 -5.834 1.00 33.34 H new ATOM 0 HA ILE X 492 9.415 1.278 -6.714 1.00 12.35 H new ATOM 0 HB ILE X 492 10.062 -0.362 -4.235 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.852 1.686 -4.626 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.617 -0.040 -4.433 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.618 1.840 -3.280 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.598 1.482 -4.722 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.226 2.610 -4.836 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.193 1.142 -2.334 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.600 0.064 -2.171 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.840 1.817 -2.367 1.00 21.21 H new ATOM 1016 N GLU X 493 11.913 0.702 -6.913 1.00 41.10 N ATOM 1017 CA GLU X 493 13.247 0.323 -7.364 1.00 52.04 C ATOM 1018 C GLU X 493 14.249 0.381 -6.214 1.00 43.33 C ATOM 1019 O GLU X 493 13.972 0.964 -5.165 1.00 63.45 O ATOM 1020 CB GLU X 493 13.705 1.239 -8.501 1.00 63.11 C ATOM 1021 CG GLU X 493 14.099 2.632 -8.039 1.00 11.52 C ATOM 1022 CD GLU X 493 14.419 3.561 -9.193 1.00 74.15 C ATOM 1023 OE1 GLU X 493 14.265 3.137 -10.357 1.00 62.13 O ATOM 1024 OE2 GLU X 493 14.823 4.714 -8.931 1.00 70.23 O ATOM 0 H GLU X 493 11.780 1.705 -6.783 1.00 41.10 H new ATOM 0 HA GLU X 493 13.200 -0.703 -7.730 1.00 52.04 H new ATOM 0 HB2 GLU X 493 14.554 0.779 -9.007 1.00 63.11 H new ATOM 0 HB3 GLU X 493 12.903 1.322 -9.235 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.287 3.058 -7.449 1.00 11.52 H new ATOM 0 HG3 GLU X 493 14.967 2.561 -7.383 1.00 11.52 H new