USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=13 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+ 162:sc= -0.66 (180deg=-1.04) USER MOD Single : X 456 LYS NZ :NH3+ -139:sc=-0.00714 (180deg=-0.974) USER MOD Single : X 464 LYS NZ :NH3+ 175:sc= 0.00236 (180deg=0.00166) USER MOD Single : X 465 THR OG1 : rot 19:sc= 0.403 USER MOD Single : X 467 TYR OH : rot 38:sc= 1.27 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 470 SER OG : rot 180:sc= 0 USER MOD Single : X 474 LYS NZ :NH3+ -159:sc=-0.00512 (180deg=-0.13) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.309 USER MOD Single : X 482 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.7!) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -131:sc= -0.205 (180deg=-1.24) USER MOD Single : X 489 LYS NZ :NH3+ 167:sc=-0.00749 (180deg=-0.142) USER MOD Single : X 490 TYR OH : rot 120:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.218 4.888 1.744 1.00 61.44 N ATOM 395 CA GLU X 454 2.915 3.618 1.924 1.00 4.33 C ATOM 396 C GLU X 454 4.144 3.542 1.022 1.00 54.22 C ATOM 397 O GLU X 454 5.242 3.217 1.476 1.00 33.03 O ATOM 398 CB GLU X 454 1.976 2.449 1.624 1.00 4.25 C ATOM 399 CG GLU X 454 2.478 1.115 2.151 1.00 54.45 C ATOM 400 CD GLU X 454 2.405 1.019 3.662 1.00 73.14 C ATOM 401 OE1 GLU X 454 3.179 1.725 4.341 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.572 0.237 4.166 1.00 32.21 O ATOM 0 HA GLU X 454 3.241 3.555 2.962 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.999 2.658 2.059 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.835 2.374 0.546 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.889 0.310 1.711 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.509 0.967 1.831 1.00 54.45 H new ATOM 407 N LYS X 455 3.952 3.843 -0.257 1.00 25.33 N ATOM 408 CA LYS X 455 5.044 3.810 -1.224 1.00 0.54 C ATOM 409 C LYS X 455 6.116 4.835 -0.869 1.00 62.42 C ATOM 410 O LYS X 455 7.311 4.556 -0.962 1.00 21.12 O ATOM 411 CB LYS X 455 4.512 4.078 -2.633 1.00 34.23 C ATOM 412 CG LYS X 455 5.583 4.022 -3.709 1.00 13.52 C ATOM 413 CD LYS X 455 5.885 5.401 -4.270 1.00 51.32 C ATOM 414 CE LYS X 455 7.090 6.029 -3.587 1.00 3.43 C ATOM 415 NZ LYS X 455 7.865 6.896 -4.517 1.00 10.05 N ATOM 0 H LYS X 455 3.050 4.113 -0.649 1.00 25.33 H new ATOM 0 HA LYS X 455 5.493 2.817 -1.195 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.737 3.347 -2.865 1.00 34.23 H new ATOM 0 HB3 LYS X 455 4.040 5.060 -2.653 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.494 3.590 -3.294 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.256 3.364 -4.515 1.00 13.52 H new ATOM 0 HD2 LYS X 455 6.071 5.326 -5.341 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.016 6.046 -4.141 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.757 6.619 -2.733 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.738 5.243 -3.198 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.477 7.533 -3.969 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.451 6.302 -5.138 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.209 7.459 -5.095 1.00 10.05 H new ATOM 425 N LYS X 456 5.681 6.023 -0.463 1.00 23.55 N ATOM 426 CA LYS X 456 6.603 7.090 -0.092 1.00 51.54 C ATOM 427 C LYS X 456 7.422 6.698 1.133 1.00 23.14 C ATOM 428 O LYS X 456 8.606 7.023 1.229 1.00 54.11 O ATOM 429 CB LYS X 456 5.833 8.382 0.188 1.00 65.35 C ATOM 430 CG LYS X 456 5.387 9.109 -1.069 1.00 12.34 C ATOM 431 CD LYS X 456 4.413 10.231 -0.749 1.00 41.13 C ATOM 432 CE LYS X 456 5.139 11.488 -0.297 1.00 35.30 C ATOM 433 NZ LYS X 456 5.387 11.489 1.171 1.00 61.51 N ATOM 0 H LYS X 456 4.695 6.271 -0.382 1.00 23.55 H new ATOM 0 HA LYS X 456 7.285 7.254 -0.926 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.957 8.149 0.793 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.461 9.048 0.780 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.258 9.517 -1.582 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.917 8.402 -1.752 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.811 10.454 -1.630 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.726 9.906 0.032 1.00 41.13 H new ATOM 0 HE2 LYS X 456 6.089 11.568 -0.826 1.00 35.30 H new ATOM 0 HE3 LYS X 456 4.549 12.364 -0.566 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.211 12.440 1.552 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.750 10.808 1.631 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 6.374 11.219 1.357 1.00 61.51 H new ATOM 443 N ARG X 457 6.786 5.999 2.067 1.00 71.11 N ATOM 444 CA ARG X 457 7.458 5.563 3.286 1.00 35.12 C ATOM 445 C ARG X 457 8.520 4.512 2.974 1.00 55.14 C ATOM 446 O ARG X 457 9.654 4.604 3.446 1.00 20.31 O ATOM 447 CB ARG X 457 6.442 4.998 4.279 1.00 21.50 C ATOM 448 CG ARG X 457 5.711 6.066 5.077 1.00 50.23 C ATOM 449 CD ARG X 457 6.598 6.653 6.164 1.00 12.04 C ATOM 450 NE ARG X 457 6.142 7.973 6.589 1.00 20.01 N ATOM 451 CZ ARG X 457 6.579 8.584 7.685 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.480 7.997 8.460 1.00 71.32 N ATOM 453 NH2 ARG X 457 6.116 9.786 8.005 1.00 51.31 N ATOM 0 H ARG X 457 5.806 5.722 2.003 1.00 71.11 H new ATOM 0 HA ARG X 457 7.948 6.429 3.732 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.711 4.398 3.736 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.955 4.328 4.969 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.380 6.860 4.407 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.817 5.636 5.528 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.613 5.981 7.022 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.622 6.724 5.797 1.00 12.04 H new ATOM 0 HE ARG X 457 5.450 8.453 6.013 1.00 20.01 H new ATOM 0 HH11 ARG X 457 7.839 7.074 8.216 1.00 71.32 H new ATOM 0 HH12 ARG X 457 7.814 8.468 9.301 1.00 71.32 H new ATOM 0 HH21 ARG X 457 5.424 10.241 7.409 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.452 10.254 8.847 1.00 51.31 H new ATOM 464 N ILE X 458 8.143 3.515 2.181 1.00 20.05 N ATOM 465 CA ILE X 458 9.064 2.447 1.807 1.00 63.42 C ATOM 466 C ILE X 458 10.271 3.000 1.059 1.00 45.00 C ATOM 467 O ILE X 458 11.416 2.733 1.424 1.00 10.42 O ATOM 468 CB ILE X 458 8.371 1.388 0.932 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.209 0.746 1.693 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.370 0.329 0.490 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.651 -0.213 2.775 1.00 74.53 C ATOM 0 H ILE X 458 7.207 3.424 1.785 1.00 20.05 H new ATOM 0 HA ILE X 458 9.398 1.978 2.733 1.00 63.42 H new ATOM 0 HB ILE X 458 7.973 1.878 0.043 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.601 1.532 2.142 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.572 0.215 0.986 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.864 -0.413 -0.128 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.167 0.799 -0.086 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.795 -0.159 1.367 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.775 -0.630 3.272 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.234 -1.020 2.330 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.263 0.318 3.504 1.00 74.53 H new ATOM 482 N ILE X 459 10.008 3.772 0.010 1.00 30.41 N ATOM 483 CA ILE X 459 11.073 4.364 -0.790 1.00 14.13 C ATOM 484 C ILE X 459 11.927 5.310 0.048 1.00 54.12 C ATOM 485 O ILE X 459 13.143 5.383 -0.127 1.00 73.32 O ATOM 486 CB ILE X 459 10.508 5.133 -1.998 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.638 5.531 -2.950 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.744 6.364 -1.533 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.286 5.358 -4.412 1.00 14.20 C ATOM 0 H ILE X 459 9.066 4.002 -0.306 1.00 30.41 H new ATOM 0 HA ILE X 459 11.692 3.543 -1.151 1.00 14.13 H new ATOM 0 HB ILE X 459 9.818 4.481 -2.534 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.904 6.572 -2.770 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.520 4.933 -2.724 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.351 6.897 -2.399 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.919 6.059 -0.889 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.414 7.020 -0.977 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.133 5.659 -5.028 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.048 4.312 -4.608 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.423 5.978 -4.654 1.00 14.20 H new ATOM 500 N GLU X 460 11.282 6.032 0.958 1.00 70.03 N ATOM 501 CA GLU X 460 11.983 6.973 1.823 1.00 55.24 C ATOM 502 C GLU X 460 12.969 6.245 2.732 1.00 12.02 C ATOM 503 O GLU X 460 14.144 6.606 2.806 1.00 12.20 O ATOM 504 CB GLU X 460 10.984 7.766 2.668 1.00 64.30 C ATOM 505 CG GLU X 460 11.635 8.606 3.754 1.00 23.33 C ATOM 506 CD GLU X 460 10.754 9.752 4.212 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.603 9.488 4.618 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.215 10.911 4.166 1.00 44.32 O ATOM 0 H GLU X 460 10.275 5.983 1.115 1.00 70.03 H new ATOM 0 HA GLU X 460 12.540 7.663 1.189 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.406 8.418 2.014 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.281 7.073 3.130 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.871 7.970 4.607 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.579 9.004 3.383 1.00 23.33 H new ATOM 513 N ALA X 461 12.483 5.220 3.422 1.00 23.10 N ATOM 514 CA ALA X 461 13.320 4.440 4.325 1.00 30.24 C ATOM 515 C ALA X 461 14.481 3.794 3.576 1.00 45.21 C ATOM 516 O ALA X 461 15.621 3.811 4.043 1.00 60.24 O ATOM 517 CB ALA X 461 12.490 3.379 5.032 1.00 43.23 C ATOM 0 H ALA X 461 11.513 4.910 3.373 1.00 23.10 H new ATOM 0 HA ALA X 461 13.735 5.117 5.072 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.129 2.805 5.703 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.699 3.860 5.607 1.00 43.23 H new ATOM 0 HB3 ALA X 461 12.047 2.711 4.293 1.00 43.23 H new ATOM 523 N LEU X 462 14.185 3.224 2.414 1.00 41.14 N ATOM 524 CA LEU X 462 15.205 2.572 1.600 1.00 32.12 C ATOM 525 C LEU X 462 16.326 3.544 1.248 1.00 23.05 C ATOM 526 O LEU X 462 17.498 3.277 1.512 1.00 51.52 O ATOM 527 CB LEU X 462 14.582 2.009 0.321 1.00 22.31 C ATOM 528 CG LEU X 462 14.027 0.587 0.413 1.00 14.31 C ATOM 529 CD1 LEU X 462 13.051 0.320 -0.721 1.00 13.41 C ATOM 530 CD2 LEU X 462 15.160 -0.429 0.395 1.00 72.43 C ATOM 0 H LEU X 462 13.247 3.200 2.014 1.00 41.14 H new ATOM 0 HA LEU X 462 15.629 1.753 2.181 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.775 2.673 0.011 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.335 2.033 -0.467 1.00 22.31 H new ATOM 0 HG LEU X 462 13.490 0.487 1.357 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.667 -0.697 -0.639 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.223 1.027 -0.662 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.562 0.438 -1.676 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.747 -1.436 0.461 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.724 -0.328 -0.532 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.821 -0.252 1.243 1.00 72.43 H new ATOM 541 N GLU X 463 15.957 4.674 0.654 1.00 4.01 N ATOM 542 CA GLU X 463 16.932 5.687 0.267 1.00 14.12 C ATOM 543 C GLU X 463 17.745 6.148 1.474 1.00 33.23 C ATOM 544 O GLU X 463 18.952 6.370 1.375 1.00 3.32 O ATOM 545 CB GLU X 463 16.230 6.884 -0.375 1.00 41.55 C ATOM 546 CG GLU X 463 15.403 6.522 -1.598 1.00 22.34 C ATOM 547 CD GLU X 463 16.056 6.962 -2.895 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.298 7.091 -2.921 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.323 7.178 -3.883 1.00 1.41 O ATOM 0 H GLU X 463 14.991 4.911 0.430 1.00 4.01 H new ATOM 0 HA GLU X 463 17.612 5.241 -0.459 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.582 7.354 0.365 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.978 7.624 -0.659 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.248 5.443 -1.621 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.419 6.983 -1.516 1.00 22.34 H new ATOM 554 N LYS X 464 17.074 6.290 2.612 1.00 23.51 N ATOM 555 CA LYS X 464 17.731 6.724 3.839 1.00 44.12 C ATOM 556 C LYS X 464 18.627 5.621 4.395 1.00 71.21 C ATOM 557 O LYS X 464 19.585 5.891 5.120 1.00 34.14 O ATOM 558 CB LYS X 464 16.690 7.124 4.886 1.00 41.33 C ATOM 559 CG LYS X 464 16.366 8.609 4.885 1.00 1.43 C ATOM 560 CD LYS X 464 15.533 8.997 3.674 1.00 74.45 C ATOM 561 CE LYS X 464 15.542 10.501 3.450 1.00 13.32 C ATOM 562 NZ LYS X 464 14.546 11.197 4.312 1.00 54.43 N ATOM 0 H LYS X 464 16.075 6.111 2.710 1.00 23.51 H new ATOM 0 HA LYS X 464 18.351 7.589 3.603 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.774 6.561 4.709 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.053 6.840 5.874 1.00 41.33 H new ATOM 0 HG2 LYS X 464 15.826 8.865 5.797 1.00 1.43 H new ATOM 0 HG3 LYS X 464 17.292 9.184 4.891 1.00 1.43 H new ATOM 0 HD2 LYS X 464 15.921 8.494 2.788 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.507 8.655 3.812 1.00 74.45 H new ATOM 0 HE2 LYS X 464 16.538 10.893 3.657 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.327 10.713 2.403 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.642 12.226 4.192 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 13.586 10.904 4.039 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 14.714 10.948 5.308 1.00 54.43 H new ATOM 572 N THR X 465 18.312 4.377 4.049 1.00 13.11 N ATOM 573 CA THR X 465 19.087 3.234 4.512 1.00 52.11 C ATOM 574 C THR X 465 20.171 2.862 3.507 1.00 75.51 C ATOM 575 O THR X 465 21.041 2.039 3.794 1.00 65.34 O ATOM 576 CB THR X 465 18.189 2.008 4.760 1.00 42.21 C ATOM 577 OG1 THR X 465 17.425 1.715 3.585 1.00 52.14 O ATOM 578 CG2 THR X 465 17.252 2.251 5.933 1.00 61.42 C ATOM 0 H THR X 465 17.524 4.136 3.448 1.00 13.11 H new ATOM 0 HA THR X 465 19.553 3.528 5.452 1.00 52.11 H new ATOM 0 HB THR X 465 18.829 1.159 4.998 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.838 2.149 2.810 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.628 1.371 6.089 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.837 2.444 6.832 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.618 3.112 5.720 1.00 61.42 H new ATOM 586 N GLY X 466 20.114 3.472 2.328 1.00 31.45 N ATOM 587 CA GLY X 466 21.097 3.191 1.298 1.00 73.12 C ATOM 588 C GLY X 466 20.639 2.111 0.338 1.00 2.02 C ATOM 589 O GLY X 466 21.428 1.259 -0.072 1.00 72.31 O ATOM 0 H GLY X 466 19.404 4.156 2.067 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.305 4.104 0.740 1.00 73.12 H new ATOM 0 HA3 GLY X 466 22.032 2.884 1.767 1.00 73.12 H new ATOM 593 N TYR X 467 19.360 2.143 -0.019 1.00 22.12 N ATOM 594 CA TYR X 467 18.797 1.157 -0.933 1.00 42.34 C ATOM 595 C TYR X 467 18.941 -0.253 -0.369 1.00 41.45 C ATOM 596 O TYR X 467 19.499 -1.139 -1.015 1.00 0.12 O ATOM 597 CB TYR X 467 19.483 1.244 -2.297 1.00 12.11 C ATOM 598 CG TYR X 467 19.339 2.594 -2.962 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.085 3.128 -3.230 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.458 3.336 -3.323 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.950 4.361 -3.838 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.331 4.571 -3.931 1.00 24.43 C ATOM 603 CZ TYR X 467 19.075 5.078 -4.186 1.00 42.32 C ATOM 604 OH TYR X 467 18.944 6.307 -4.791 1.00 45.41 O ATOM 0 H TYR X 467 18.694 2.841 0.311 1.00 22.12 H new ATOM 0 HA TYR X 467 17.736 1.375 -1.053 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.543 1.019 -2.176 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.067 0.479 -2.953 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.201 2.570 -2.959 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.443 2.941 -3.125 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.968 4.762 -4.040 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.210 5.135 -4.204 1.00 24.43 H new ATOM 0 HH TYR X 467 18.186 6.786 -4.397 1.00 45.41 H new ATOM 613 N VAL X 468 18.430 -0.454 0.843 1.00 21.22 N ATOM 614 CA VAL X 468 18.499 -1.756 1.496 1.00 11.54 C ATOM 615 C VAL X 468 17.134 -2.174 2.031 1.00 22.10 C ATOM 616 O VAL X 468 16.526 -1.467 2.834 1.00 25.15 O ATOM 617 CB VAL X 468 19.513 -1.749 2.654 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.658 -3.144 3.244 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.857 -1.218 2.183 1.00 32.52 C ATOM 0 H VAL X 468 17.964 0.269 1.392 1.00 21.22 H new ATOM 0 HA VAL X 468 18.825 -2.473 0.742 1.00 11.54 H new ATOM 0 HB VAL X 468 19.141 -1.086 3.435 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.379 -3.120 4.061 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.693 -3.482 3.621 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.007 -3.831 2.473 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.561 -1.220 3.015 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.239 -1.852 1.383 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.736 -0.200 1.813 1.00 32.52 H new ATOM 629 N LYS X 469 16.657 -3.330 1.580 1.00 2.33 N ATOM 630 CA LYS X 469 15.364 -3.846 2.013 1.00 73.34 C ATOM 631 C LYS X 469 15.398 -4.227 3.491 1.00 0.52 C ATOM 632 O LYS X 469 14.475 -3.915 4.242 1.00 43.22 O ATOM 633 CB LYS X 469 14.969 -5.061 1.171 1.00 64.33 C ATOM 634 CG LYS X 469 14.533 -4.707 -0.239 1.00 65.33 C ATOM 635 CD LYS X 469 14.223 -5.951 -1.055 1.00 74.35 C ATOM 636 CE LYS X 469 14.136 -5.636 -2.541 1.00 63.33 C ATOM 637 NZ LYS X 469 13.553 -6.768 -3.315 1.00 50.11 N ATOM 0 H LYS X 469 17.147 -3.927 0.914 1.00 2.33 H new ATOM 0 HA LYS X 469 14.622 -3.060 1.875 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.814 -5.747 1.119 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.158 -5.591 1.671 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.651 -4.068 -0.199 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.319 -4.134 -0.731 1.00 65.33 H new ATOM 0 HD2 LYS X 469 14.996 -6.700 -0.886 1.00 74.35 H new ATOM 0 HD3 LYS X 469 13.281 -6.383 -0.718 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.527 -4.744 -2.688 1.00 63.33 H new ATOM 0 HE3 LYS X 469 15.131 -5.409 -2.923 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 13.511 -6.514 -4.323 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 14.148 -7.613 -3.195 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.593 -6.968 -2.968 1.00 50.11 H new ATOM 647 N SER X 470 16.469 -4.901 3.899 1.00 71.13 N ATOM 648 CA SER X 470 16.621 -5.326 5.285 1.00 51.22 C ATOM 649 C SER X 470 16.570 -4.128 6.229 1.00 51.22 C ATOM 650 O SER X 470 15.796 -4.111 7.186 1.00 14.32 O ATOM 651 CB SER X 470 17.942 -6.077 5.468 1.00 52.44 C ATOM 652 OG SER X 470 18.015 -6.674 6.750 1.00 5.24 O ATOM 0 H SER X 470 17.243 -5.164 3.290 1.00 71.13 H new ATOM 0 HA SER X 470 15.794 -5.994 5.527 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.037 -6.845 4.700 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.777 -5.389 5.336 1.00 52.44 H new ATOM 0 HG SER X 470 18.867 -7.149 6.842 1.00 5.24 H new ATOM 657 N ARG X 471 17.400 -3.127 5.952 1.00 75.24 N ATOM 658 CA ARG X 471 17.451 -1.927 6.777 1.00 11.02 C ATOM 659 C ARG X 471 16.140 -1.149 6.685 1.00 64.24 C ATOM 660 O ARG X 471 15.647 -0.627 7.684 1.00 23.30 O ATOM 661 CB ARG X 471 18.616 -1.034 6.345 1.00 3.34 C ATOM 662 CG ARG X 471 19.981 -1.664 6.571 1.00 74.42 C ATOM 663 CD ARG X 471 21.039 -1.042 5.673 1.00 11.42 C ATOM 664 NE ARG X 471 22.073 -2.002 5.299 1.00 42.13 N ATOM 665 CZ ARG X 471 23.280 -1.651 4.868 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.601 -0.369 4.757 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.167 -2.583 4.547 1.00 13.40 N ATOM 0 H ARG X 471 18.046 -3.124 5.163 1.00 75.24 H new ATOM 0 HA ARG X 471 17.601 -2.234 7.812 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.506 -0.794 5.287 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.564 -0.093 6.892 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.271 -1.542 7.615 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.924 -2.736 6.379 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.565 -0.650 4.773 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.498 -0.196 6.186 1.00 11.42 H new ATOM 0 HE ARG X 471 21.857 -2.996 5.372 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.921 0.350 5.003 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.528 -0.102 4.426 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.923 -3.570 4.631 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.093 -2.313 4.216 1.00 13.40 H new ATOM 678 N ALA X 472 15.584 -1.077 5.480 1.00 63.50 N ATOM 679 CA ALA X 472 14.332 -0.365 5.259 1.00 51.02 C ATOM 680 C ALA X 472 13.178 -1.041 5.992 1.00 14.44 C ATOM 681 O ALA X 472 12.254 -0.377 6.461 1.00 62.31 O ATOM 682 CB ALA X 472 14.032 -0.274 3.770 1.00 12.21 C ATOM 0 H ALA X 472 15.981 -1.503 4.642 1.00 63.50 H new ATOM 0 HA ALA X 472 14.441 0.643 5.659 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.094 0.260 3.620 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.839 0.261 3.268 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.948 -1.278 3.354 1.00 12.21 H new ATOM 688 N ALA X 473 13.240 -2.364 6.088 1.00 33.12 N ATOM 689 CA ALA X 473 12.202 -3.131 6.766 1.00 5.31 C ATOM 690 C ALA X 473 12.276 -2.940 8.277 1.00 1.25 C ATOM 691 O ALA X 473 11.285 -2.592 8.920 1.00 50.13 O ATOM 692 CB ALA X 473 12.318 -4.606 6.413 1.00 61.31 C ATOM 0 H ALA X 473 13.999 -2.928 5.705 1.00 33.12 H new ATOM 0 HA ALA X 473 11.234 -2.763 6.426 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.536 -5.166 6.927 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.207 -4.732 5.336 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.294 -4.979 6.723 1.00 61.31 H new ATOM 698 N LYS X 474 13.458 -3.170 8.840 1.00 62.03 N ATOM 699 CA LYS X 474 13.663 -3.024 10.277 1.00 24.40 C ATOM 700 C LYS X 474 13.427 -1.582 10.715 1.00 54.40 C ATOM 701 O LYS X 474 12.963 -1.330 11.829 1.00 74.45 O ATOM 702 CB LYS X 474 15.081 -3.457 10.656 1.00 34.32 C ATOM 703 CG LYS X 474 16.167 -2.736 9.878 1.00 3.21 C ATOM 704 CD LYS X 474 16.572 -1.438 10.557 1.00 54.32 C ATOM 705 CE LYS X 474 18.071 -1.381 10.804 1.00 20.00 C ATOM 706 NZ LYS X 474 18.514 -2.425 11.768 1.00 3.13 N ATOM 0 H LYS X 474 14.289 -3.458 8.323 1.00 62.03 H new ATOM 0 HA LYS X 474 12.945 -3.664 10.789 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.232 -3.282 11.721 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.180 -4.530 10.492 1.00 34.32 H new ATOM 0 HG2 LYS X 474 17.038 -3.384 9.782 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.814 -2.525 8.869 1.00 3.21 H new ATOM 0 HD2 LYS X 474 16.272 -0.593 9.937 1.00 54.32 H new ATOM 0 HD3 LYS X 474 16.042 -1.342 11.505 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.600 -1.511 9.860 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.339 -0.396 11.187 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.428 -2.150 12.181 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 17.807 -2.521 12.525 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 18.617 -3.334 11.273 1.00 3.13 H new ATOM 716 N LEU X 475 13.746 -0.640 9.834 1.00 10.44 N ATOM 717 CA LEU X 475 13.566 0.776 10.130 1.00 74.31 C ATOM 718 C LEU X 475 12.089 1.155 10.111 1.00 24.12 C ATOM 719 O LEU X 475 11.581 1.769 11.049 1.00 74.13 O ATOM 720 CB LEU X 475 14.336 1.631 9.121 1.00 52.05 C ATOM 721 CG LEU X 475 14.583 3.085 9.523 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.698 3.689 8.683 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.306 3.901 9.383 1.00 53.02 C ATOM 0 H LEU X 475 14.131 -0.832 8.909 1.00 10.44 H new ATOM 0 HA LEU X 475 13.957 0.964 11.130 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.300 1.158 8.935 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.790 1.624 8.178 1.00 52.05 H new ATOM 0 HG LEU X 475 14.891 3.106 10.568 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.860 4.724 8.983 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.616 3.120 8.833 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.419 3.656 7.630 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.500 4.933 9.673 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.968 3.873 8.347 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.534 3.482 10.028 1.00 53.02 H new ATOM 734 N LEU X 476 11.402 0.780 9.036 1.00 14.12 N ATOM 735 CA LEU X 476 9.981 1.077 8.895 1.00 2.33 C ATOM 736 C LEU X 476 9.163 0.340 9.950 1.00 41.31 C ATOM 737 O LEU X 476 8.243 0.903 10.542 1.00 65.41 O ATOM 738 CB LEU X 476 9.496 0.691 7.497 1.00 21.22 C ATOM 739 CG LEU X 476 9.934 1.611 6.356 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.921 0.864 5.032 1.00 15.24 C ATOM 741 CD2 LEU X 476 9.037 2.839 6.287 1.00 71.10 C ATOM 0 H LEU X 476 11.806 0.270 8.250 1.00 14.12 H new ATOM 0 HA LEU X 476 9.843 2.149 9.038 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.846 -0.318 7.278 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.407 0.654 7.510 1.00 21.22 H new ATOM 0 HG LEU X 476 10.954 1.941 6.553 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.235 1.535 4.233 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.605 0.017 5.085 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.913 0.503 4.828 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.363 3.482 5.470 1.00 71.10 H new ATOM 0 HD22 LEU X 476 8.007 2.528 6.115 1.00 71.10 H new ATOM 0 HD23 LEU X 476 9.098 3.387 7.227 1.00 71.10 H new ATOM 752 N GLY X 477 9.507 -0.923 10.183 1.00 45.23 N ATOM 753 CA GLY X 477 8.795 -1.716 11.168 1.00 22.13 C ATOM 754 C GLY X 477 8.123 -2.931 10.560 1.00 61.31 C ATOM 755 O GLY X 477 7.207 -3.504 11.152 1.00 35.21 O ATOM 0 H GLY X 477 10.266 -1.411 9.707 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.492 -2.039 11.942 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.043 -1.095 11.655 1.00 22.13 H new ATOM 759 N TYR X 478 8.577 -3.325 9.376 1.00 41.35 N ATOM 760 CA TYR X 478 8.011 -4.477 8.684 1.00 51.13 C ATOM 761 C TYR X 478 9.070 -5.551 8.456 1.00 65.31 C ATOM 762 O TYR X 478 10.270 -5.280 8.521 1.00 40.51 O ATOM 763 CB TYR X 478 7.406 -4.050 7.346 1.00 71.43 C ATOM 764 CG TYR X 478 6.558 -2.801 7.437 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.674 -2.612 8.491 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.640 -1.810 6.466 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.897 -1.473 8.578 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.868 -0.667 6.545 1.00 51.13 C ATOM 769 CZ TYR X 478 4.998 -0.504 7.603 1.00 63.32 C ATOM 770 OH TYR X 478 4.227 0.633 7.684 1.00 43.33 O ATOM 0 H TYR X 478 9.336 -2.863 8.875 1.00 41.35 H new ATOM 0 HA TYR X 478 7.225 -4.895 9.313 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.210 -3.882 6.630 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.797 -4.865 6.955 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.592 -3.369 9.257 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.319 -1.936 5.635 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.215 -1.343 9.405 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.945 0.094 5.783 1.00 51.13 H new ATOM 0 HH TYR X 478 4.420 1.214 6.919 1.00 43.33 H new ATOM 779 N THR X 479 8.618 -6.772 8.189 1.00 31.11 N ATOM 780 CA THR X 479 9.525 -7.888 7.952 1.00 32.34 C ATOM 781 C THR X 479 9.908 -7.982 6.479 1.00 71.23 C ATOM 782 O THR X 479 9.273 -7.366 5.622 1.00 3.54 O ATOM 783 CB THR X 479 8.900 -9.224 8.395 1.00 31.32 C ATOM 784 OG1 THR X 479 9.811 -10.299 8.140 1.00 41.35 O ATOM 785 CG2 THR X 479 7.590 -9.477 7.663 1.00 33.32 C ATOM 0 H THR X 479 7.629 -7.013 8.131 1.00 31.11 H new ATOM 0 HA THR X 479 10.420 -7.700 8.546 1.00 32.34 H new ATOM 0 HB THR X 479 8.695 -9.168 9.464 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.407 -11.145 8.426 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.167 -10.426 7.992 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.889 -8.672 7.883 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.775 -9.515 6.589 1.00 33.32 H new ATOM 793 N LEU X 480 10.949 -8.755 6.191 1.00 51.22 N ATOM 794 CA LEU X 480 11.416 -8.930 4.821 1.00 73.24 C ATOM 795 C LEU X 480 10.263 -9.308 3.896 1.00 73.11 C ATOM 796 O LEU X 480 10.206 -8.868 2.748 1.00 12.40 O ATOM 797 CB LEU X 480 12.503 -10.006 4.765 1.00 54.35 C ATOM 798 CG LEU X 480 12.896 -10.490 3.369 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.476 -9.349 2.550 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.889 -11.639 3.464 1.00 24.30 C ATOM 0 H LEU X 480 11.486 -9.271 6.888 1.00 51.22 H new ATOM 0 HA LEU X 480 11.833 -7.982 4.482 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.395 -9.619 5.258 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.166 -10.866 5.344 1.00 54.35 H new ATOM 0 HG LEU X 480 11.999 -10.850 2.865 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.749 -9.714 1.560 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.733 -8.557 2.452 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.362 -8.956 3.049 1.00 10.34 H new ATOM 0 HD21 LEU X 480 14.158 -11.971 2.461 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.784 -11.304 3.988 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.437 -12.466 4.011 1.00 24.30 H new ATOM 811 N ARG X 481 9.346 -10.124 4.406 1.00 60.01 N ATOM 812 CA ARG X 481 8.194 -10.559 3.627 1.00 5.23 C ATOM 813 C ARG X 481 7.275 -9.383 3.310 1.00 63.40 C ATOM 814 O ARG X 481 6.904 -9.166 2.157 1.00 34.21 O ATOM 815 CB ARG X 481 7.417 -11.637 4.386 1.00 22.32 C ATOM 816 CG ARG X 481 6.594 -12.543 3.483 1.00 15.42 C ATOM 817 CD ARG X 481 6.378 -13.910 4.115 1.00 33.20 C ATOM 818 NE ARG X 481 5.783 -13.810 5.446 1.00 11.02 N ATOM 819 CZ ARG X 481 5.554 -14.860 6.228 1.00 23.35 C ATOM 820 NH1 ARG X 481 5.866 -16.079 5.815 1.00 64.23 N ATOM 821 NH2 ARG X 481 5.010 -14.687 7.426 1.00 54.34 N ATOM 0 H ARG X 481 9.379 -10.497 5.355 1.00 60.01 H new ATOM 0 HA ARG X 481 8.559 -10.975 2.688 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.119 -12.246 4.956 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.755 -11.157 5.106 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.629 -12.078 3.280 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.099 -12.660 2.524 1.00 15.42 H new ATOM 0 HD2 ARG X 481 5.731 -14.508 3.473 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.332 -14.433 4.183 1.00 33.20 H new ATOM 0 HE ARG X 481 5.530 -12.885 5.793 1.00 11.02 H new ATOM 0 HH11 ARG X 481 6.283 -16.214 4.894 1.00 64.23 H new ATOM 0 HH12 ARG X 481 5.689 -16.883 6.418 1.00 64.23 H new ATOM 0 HH21 ARG X 481 4.768 -13.749 7.746 1.00 54.34 H new ATOM 0 HH22 ARG X 481 4.834 -15.492 8.027 1.00 54.34 H new ATOM 832 N GLN X 482 6.911 -8.629 4.342 1.00 43.45 N ATOM 833 CA GLN X 482 6.035 -7.475 4.174 1.00 74.43 C ATOM 834 C GLN X 482 6.667 -6.442 3.247 1.00 15.22 C ATOM 835 O GLN X 482 6.067 -6.037 2.251 1.00 24.12 O ATOM 836 CB GLN X 482 5.726 -6.840 5.530 1.00 61.30 C ATOM 837 CG GLN X 482 4.793 -7.673 6.394 1.00 11.44 C ATOM 838 CD GLN X 482 3.550 -8.118 5.649 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.535 -7.423 5.640 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.624 -9.284 5.017 1.00 62.51 N ATOM 0 H GLN X 482 7.209 -8.796 5.303 1.00 43.45 H new ATOM 0 HA GLN X 482 5.105 -7.820 3.723 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.660 -6.680 6.068 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.279 -5.859 5.369 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.328 -8.550 6.758 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.499 -7.093 7.269 1.00 11.44 H new ATOM 0 HE21 GLN X 482 4.486 -9.828 5.051 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.819 -9.635 4.498 1.00 62.51 H new ATOM 847 N LEU X 483 7.882 -6.020 3.581 1.00 30.43 N ATOM 848 CA LEU X 483 8.596 -5.033 2.778 1.00 23.25 C ATOM 849 C LEU X 483 8.678 -5.472 1.321 1.00 43.34 C ATOM 850 O LEU X 483 8.316 -4.721 0.415 1.00 12.42 O ATOM 851 CB LEU X 483 10.004 -4.815 3.338 1.00 32.11 C ATOM 852 CG LEU X 483 10.740 -3.573 2.834 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.676 -2.460 3.867 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.186 -3.910 2.499 1.00 65.25 C ATOM 0 H LEU X 483 8.393 -6.346 4.402 1.00 30.43 H new ATOM 0 HA LEU X 483 8.043 -4.095 2.824 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.937 -4.757 4.424 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.607 -5.692 3.102 1.00 32.11 H new ATOM 0 HG LEU X 483 10.249 -3.226 1.925 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.205 -1.584 3.491 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.635 -2.201 4.058 1.00 33.51 H new ATOM 0 HD13 LEU X 483 11.142 -2.796 4.793 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.695 -3.015 2.142 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.689 -4.282 3.392 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.211 -4.675 1.723 1.00 65.25 H new ATOM 865 N ASP X 484 9.152 -6.693 1.101 1.00 4.40 N ATOM 866 CA ASP X 484 9.278 -7.235 -0.247 1.00 74.33 C ATOM 867 C ASP X 484 7.952 -7.139 -0.996 1.00 23.13 C ATOM 868 O ASP X 484 7.910 -6.709 -2.149 1.00 2.41 O ATOM 869 CB ASP X 484 9.745 -8.691 -0.194 1.00 53.22 C ATOM 870 CG ASP X 484 10.061 -9.248 -1.567 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.112 -8.456 -2.531 1.00 13.14 O ATOM 872 OD2 ASP X 484 10.256 -10.476 -1.679 1.00 12.45 O ATOM 0 H ASP X 484 9.456 -7.327 1.840 1.00 4.40 H new ATOM 0 HA ASP X 484 10.021 -6.644 -0.782 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.631 -8.762 0.437 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.972 -9.301 0.273 1.00 53.22 H new ATOM 876 N TYR X 485 6.875 -7.545 -0.335 1.00 62.24 N ATOM 877 CA TYR X 485 5.548 -7.510 -0.938 1.00 54.52 C ATOM 878 C TYR X 485 5.187 -6.093 -1.375 1.00 35.33 C ATOM 879 O TYR X 485 4.546 -5.894 -2.408 1.00 43.32 O ATOM 880 CB TYR X 485 4.501 -8.034 0.045 1.00 42.42 C ATOM 881 CG TYR X 485 3.313 -8.686 -0.625 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.453 -9.881 -1.322 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.052 -8.108 -0.563 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.371 -10.479 -1.936 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.963 -8.701 -1.173 1.00 35.54 C ATOM 886 CZ TYR X 485 1.128 -9.886 -1.858 1.00 72.11 C ATOM 887 OH TYR X 485 0.046 -10.479 -2.469 1.00 32.54 O ATOM 0 H TYR X 485 6.894 -7.903 0.620 1.00 62.24 H new ATOM 0 HA TYR X 485 5.561 -8.152 -1.819 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.971 -8.755 0.713 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.150 -7.208 0.664 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.424 -10.349 -1.384 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.920 -7.179 -0.029 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.497 -11.407 -2.475 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.011 -8.239 -1.113 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.754 -9.934 -2.318 1.00 32.54 H new ATOM 896 N ARG X 486 5.603 -5.112 -0.582 1.00 30.20 N ATOM 897 CA ARG X 486 5.324 -3.713 -0.885 1.00 23.23 C ATOM 898 C ARG X 486 6.149 -3.240 -2.078 1.00 23.24 C ATOM 899 O ARG X 486 5.667 -2.477 -2.915 1.00 73.10 O ATOM 900 CB ARG X 486 5.620 -2.836 0.334 1.00 32.34 C ATOM 901 CG ARG X 486 4.391 -2.527 1.174 1.00 43.42 C ATOM 902 CD ARG X 486 4.120 -3.625 2.190 1.00 11.40 C ATOM 903 NE ARG X 486 2.719 -3.655 2.603 1.00 15.11 N ATOM 904 CZ ARG X 486 2.137 -4.715 3.153 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.833 -5.826 3.356 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.859 -4.665 3.502 1.00 1.14 N ATOM 0 H ARG X 486 6.135 -5.260 0.276 1.00 30.20 H new ATOM 0 HA ARG X 486 4.268 -3.626 -1.139 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.361 -3.335 0.959 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.065 -1.899 -0.002 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.532 -1.578 1.691 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.524 -2.410 0.523 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.393 -4.590 1.762 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.753 -3.474 3.065 1.00 11.40 H new ATOM 0 HE ARG X 486 2.157 -2.816 2.461 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.817 -5.867 3.090 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.384 -6.639 3.778 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.321 -3.812 3.348 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.413 -5.480 3.924 1.00 1.14 H new ATOM 917 N ILE X 487 7.395 -3.696 -2.146 1.00 12.05 N ATOM 918 CA ILE X 487 8.287 -3.319 -3.237 1.00 10.12 C ATOM 919 C ILE X 487 7.762 -3.826 -4.576 1.00 62.30 C ATOM 920 O ILE X 487 7.812 -3.119 -5.582 1.00 15.43 O ATOM 921 CB ILE X 487 9.709 -3.867 -3.016 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.313 -3.277 -1.739 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.589 -3.557 -4.217 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.328 -1.765 -1.722 1.00 35.13 C ATOM 0 H ILE X 487 7.810 -4.326 -1.460 1.00 12.05 H new ATOM 0 HA ILE X 487 8.324 -2.230 -3.252 1.00 10.12 H new ATOM 0 HB ILE X 487 9.652 -4.950 -2.903 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.748 -3.637 -0.879 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.333 -3.644 -1.626 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.591 -3.951 -4.045 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.165 -4.020 -5.108 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.643 -2.478 -4.360 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.769 -1.416 -0.788 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.918 -1.398 -2.562 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.308 -1.390 -1.804 1.00 35.13 H new ATOM 935 N LYS X 488 7.257 -5.055 -4.580 1.00 1.41 N ATOM 936 CA LYS X 488 6.719 -5.657 -5.795 1.00 43.53 C ATOM 937 C LYS X 488 5.369 -5.044 -6.155 1.00 53.44 C ATOM 938 O LYS X 488 5.075 -4.809 -7.327 1.00 72.22 O ATOM 939 CB LYS X 488 6.571 -7.170 -5.617 1.00 2.51 C ATOM 940 CG LYS X 488 5.695 -7.560 -4.439 1.00 3.34 C ATOM 941 CD LYS X 488 5.608 -9.070 -4.286 1.00 3.43 C ATOM 942 CE LYS X 488 4.903 -9.711 -5.471 1.00 41.43 C ATOM 943 NZ LYS X 488 5.867 -10.154 -6.517 1.00 22.33 N ATOM 0 H LYS X 488 7.209 -5.654 -3.756 1.00 1.41 H new ATOM 0 HA LYS X 488 7.417 -5.459 -6.608 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.151 -7.595 -6.528 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.559 -7.611 -5.486 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.097 -7.123 -3.525 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.695 -7.149 -4.576 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.611 -9.485 -4.190 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.073 -9.313 -3.368 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.321 -10.566 -5.128 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.200 -8.999 -5.903 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 5.552 -9.811 -7.447 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.809 -9.768 -6.306 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 5.913 -11.193 -6.529 1.00 22.33 H new ATOM 953 N LYS X 489 4.553 -4.784 -5.140 1.00 24.34 N ATOM 954 CA LYS X 489 3.236 -4.195 -5.348 1.00 21.32 C ATOM 955 C LYS X 489 3.355 -2.753 -5.830 1.00 63.33 C ATOM 956 O LYS X 489 2.666 -2.341 -6.764 1.00 53.33 O ATOM 957 CB LYS X 489 2.421 -4.245 -4.053 1.00 54.52 C ATOM 958 CG LYS X 489 1.419 -5.386 -4.009 1.00 54.51 C ATOM 959 CD LYS X 489 2.106 -6.736 -4.120 1.00 14.12 C ATOM 960 CE LYS X 489 1.100 -7.858 -4.332 1.00 62.31 C ATOM 961 NZ LYS X 489 0.499 -7.813 -5.694 1.00 3.10 N ATOM 0 H LYS X 489 4.781 -4.972 -4.164 1.00 24.34 H new ATOM 0 HA LYS X 489 2.724 -4.775 -6.115 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.103 -4.338 -3.208 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.890 -3.301 -3.931 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.854 -5.340 -3.078 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.702 -5.274 -4.822 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.813 -6.718 -4.949 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.681 -6.928 -3.214 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.591 -8.820 -4.183 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.311 -7.784 -3.584 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.006 -8.703 -5.880 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.168 -7.018 -5.753 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.251 -7.687 -6.401 1.00 3.10 H new ATOM 971 N TYR X 490 4.232 -1.990 -5.188 1.00 63.10 N ATOM 972 CA TYR X 490 4.441 -0.593 -5.550 1.00 65.13 C ATOM 973 C TYR X 490 5.500 -0.466 -6.642 1.00 43.30 C ATOM 974 O TYR X 490 5.785 0.631 -7.121 1.00 45.35 O ATOM 975 CB TYR X 490 4.858 0.217 -4.323 1.00 31.24 C ATOM 976 CG TYR X 490 3.789 0.293 -3.256 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.545 0.849 -3.529 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.023 -0.189 -1.974 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.566 0.921 -2.558 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.049 -0.123 -0.997 1.00 30.22 C ATOM 981 CZ TYR X 490 1.822 0.434 -1.294 1.00 51.31 C ATOM 982 OH TYR X 490 0.850 0.503 -0.322 1.00 54.23 O ATOM 0 H TYR X 490 4.810 -2.316 -4.413 1.00 63.10 H new ATOM 0 HA TYR X 490 3.500 -0.199 -5.934 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.757 -0.226 -3.894 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.119 1.228 -4.637 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.340 1.232 -4.518 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.983 -0.623 -1.737 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.605 1.357 -2.788 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.247 -0.505 -0.006 1.00 30.22 H new ATOM 0 HH TYR X 490 0.632 -0.401 -0.012 1.00 54.23 H new ATOM 991 N GLY X 491 6.081 -1.598 -7.029 1.00 12.33 N ATOM 992 CA GLY X 491 7.102 -1.593 -8.061 1.00 73.13 C ATOM 993 C GLY X 491 8.201 -0.588 -7.783 1.00 70.25 C ATOM 994 O GLY X 491 8.627 0.140 -8.681 1.00 25.21 O ATOM 0 H GLY X 491 5.863 -2.518 -6.646 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.537 -2.589 -8.143 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.641 -1.367 -9.023 1.00 73.13 H new ATOM 998 N ILE X 492 8.661 -0.544 -6.537 1.00 33.34 N ATOM 999 CA ILE X 492 9.716 0.380 -6.145 1.00 12.35 C ATOM 1000 C ILE X 492 11.077 -0.094 -6.645 1.00 73.33 C ATOM 1001 O ILE X 492 11.294 -1.289 -6.841 1.00 45.43 O ATOM 1002 CB ILE X 492 9.775 0.551 -4.616 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.368 0.745 -4.047 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.668 1.727 -4.248 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.337 0.878 -2.541 1.00 21.21 C ATOM 0 H ILE X 492 8.319 -1.138 -5.782 1.00 33.34 H new ATOM 0 HA ILE X 492 9.479 1.341 -6.601 1.00 12.35 H new ATOM 0 HB ILE X 492 10.201 -0.353 -4.181 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.925 1.636 -4.491 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.746 -0.100 -4.342 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.699 1.835 -3.164 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.676 1.550 -4.624 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.270 2.639 -4.692 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.308 1.013 -2.209 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.750 -0.023 -2.088 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.931 1.741 -2.240 1.00 21.21 H new ATOM 1016 N GLU X 493 11.990 0.851 -6.846 1.00 41.10 N ATOM 1017 CA GLU X 493 13.330 0.528 -7.323 1.00 52.04 C ATOM 1018 C GLU X 493 14.347 0.616 -6.188 1.00 43.33 C ATOM 1019 O GLU X 493 14.040 1.108 -5.101 1.00 63.45 O ATOM 1020 CB GLU X 493 13.733 1.471 -8.458 1.00 63.11 C ATOM 1021 CG GLU X 493 12.815 1.396 -9.667 1.00 11.52 C ATOM 1022 CD GLU X 493 12.830 2.669 -10.489 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.503 3.739 -9.933 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.168 2.597 -11.689 1.00 62.13 O ATOM 0 H GLU X 493 11.827 1.845 -6.686 1.00 41.10 H new ATOM 0 HA GLU X 493 13.317 -0.495 -7.698 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.743 2.494 -8.083 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.751 1.236 -8.770 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.116 0.558 -10.296 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.797 1.195 -9.334 1.00 11.52 H new