USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 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+ -114:sc= -0.542 (180deg=-3.26!) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ -137:sc= -0.196 (180deg=-1.71!) USER MOD Single : X 465 THR OG1 : rot 13:sc= 0.441 USER MOD Single : X 467 TYR OH : rot 60:sc= 1.25 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+ 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= -0.251 USER MOD Single : X 482 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.2) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -127:sc= -0.361 (180deg=-1.61!) USER MOD Single : X 489 LYS NZ :NH3+ 167:sc=-0.00516 (180deg=-0.131) USER MOD Single : X 490 TYR OH : rot 120:sc= -1.65 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.174 5.011 1.353 1.00 61.44 N ATOM 395 CA GLU X 454 2.847 3.733 1.556 1.00 4.33 C ATOM 396 C GLU X 454 4.094 3.630 0.680 1.00 54.22 C ATOM 397 O GLU X 454 5.177 3.294 1.158 1.00 33.03 O ATOM 398 CB GLU X 454 1.896 2.576 1.246 1.00 4.25 C ATOM 399 CG GLU X 454 2.447 1.214 1.634 1.00 54.45 C ATOM 400 CD GLU X 454 2.762 1.112 3.114 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.814 0.961 3.913 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.956 1.186 3.474 1.00 25.31 O ATOM 0 HA GLU X 454 3.152 3.673 2.601 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.955 2.740 1.770 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.671 2.577 0.179 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.723 0.444 1.366 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.352 1.015 1.059 1.00 54.45 H new ATOM 407 N LYS X 455 3.930 3.922 -0.607 1.00 25.33 N ATOM 408 CA LYS X 455 5.041 3.864 -1.551 1.00 0.54 C ATOM 409 C LYS X 455 6.116 4.884 -1.191 1.00 62.42 C ATOM 410 O LYS X 455 7.308 4.577 -1.209 1.00 21.12 O ATOM 411 CB LYS X 455 4.539 4.116 -2.975 1.00 34.23 C ATOM 412 CG LYS X 455 5.649 4.173 -4.009 1.00 13.52 C ATOM 413 CD LYS X 455 5.998 5.606 -4.375 1.00 51.32 C ATOM 414 CE LYS X 455 7.496 5.855 -4.293 1.00 3.43 C ATOM 415 NZ LYS X 455 8.148 5.760 -5.628 1.00 10.05 N ATOM 0 H LYS X 455 3.040 4.201 -1.019 1.00 25.33 H new ATOM 0 HA LYS X 455 5.480 2.868 -1.497 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.838 3.327 -3.249 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.986 5.055 -2.996 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.535 3.670 -3.621 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.341 3.633 -4.904 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.648 5.820 -5.385 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.477 6.290 -3.705 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.677 6.843 -3.870 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.948 5.130 -3.616 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.791 4.943 -5.643 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.421 5.641 -6.362 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 8.688 6.629 -5.813 1.00 10.05 H new ATOM 425 N LYS X 456 5.687 6.098 -0.862 1.00 23.55 N ATOM 426 CA LYS X 456 6.613 7.162 -0.494 1.00 51.54 C ATOM 427 C LYS X 456 7.403 6.789 0.755 1.00 23.14 C ATOM 428 O LYS X 456 8.584 7.116 0.875 1.00 54.11 O ATOM 429 CB LYS X 456 5.851 8.468 -0.257 1.00 65.35 C ATOM 430 CG LYS X 456 5.427 9.166 -1.538 1.00 12.34 C ATOM 431 CD LYS X 456 4.527 10.358 -1.253 1.00 41.13 C ATOM 432 CE LYS X 456 5.324 11.545 -0.734 1.00 35.30 C ATOM 433 NZ LYS X 456 5.844 12.391 -1.843 1.00 61.51 N ATOM 0 H LYS X 456 4.704 6.369 -0.843 1.00 23.55 H new ATOM 0 HA LYS X 456 7.314 7.300 -1.317 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.965 8.258 0.343 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.478 9.144 0.325 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.311 9.498 -2.082 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.903 8.460 -2.182 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.999 10.643 -2.163 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.771 10.077 -0.520 1.00 41.13 H new ATOM 0 HE2 LYS X 456 4.693 12.149 -0.082 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.157 11.187 -0.129 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 6.381 13.189 -1.448 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 6.466 11.822 -2.451 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 5.048 12.754 -2.405 1.00 61.51 H new ATOM 443 N ARG X 457 6.745 6.101 1.683 1.00 71.11 N ATOM 444 CA ARG X 457 7.388 5.682 2.923 1.00 35.12 C ATOM 445 C ARG X 457 8.450 4.620 2.654 1.00 55.14 C ATOM 446 O ARG X 457 9.581 4.725 3.130 1.00 20.31 O ATOM 447 CB ARG X 457 6.346 5.141 3.904 1.00 21.50 C ATOM 448 CG ARG X 457 5.611 6.226 4.673 1.00 50.23 C ATOM 449 CD ARG X 457 6.253 6.481 6.028 1.00 12.04 C ATOM 450 NE ARG X 457 5.514 7.471 6.807 1.00 20.01 N ATOM 451 CZ ARG X 457 5.995 8.057 7.898 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.209 7.753 8.336 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.263 8.949 8.551 1.00 51.31 N ATOM 0 H ARG X 457 5.767 5.822 1.600 1.00 71.11 H new ATOM 0 HA ARG X 457 7.874 6.553 3.363 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.620 4.541 3.355 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.838 4.475 4.613 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.609 7.148 4.091 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.570 5.934 4.812 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.305 5.546 6.586 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.278 6.824 5.885 1.00 12.04 H new ATOM 0 HE ARG X 457 4.577 7.727 6.496 1.00 20.01 H new ATOM 0 HH11 ARG X 457 7.775 7.068 7.835 1.00 71.32 H new ATOM 0 HH12 ARG X 457 7.577 8.204 9.174 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.329 9.186 8.216 1.00 51.31 H new ATOM 0 HH22 ARG X 457 5.634 9.398 9.388 1.00 51.31 H new ATOM 464 N ILE X 458 8.077 3.600 1.890 1.00 20.05 N ATOM 465 CA ILE X 458 8.998 2.519 1.558 1.00 63.42 C ATOM 466 C ILE X 458 10.224 3.049 0.824 1.00 45.00 C ATOM 467 O ILE X 458 11.360 2.763 1.206 1.00 10.42 O ATOM 468 CB ILE X 458 8.317 1.446 0.688 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.135 0.825 1.437 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.319 0.374 0.287 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.551 -0.125 2.539 1.00 74.53 C ATOM 0 H ILE X 458 7.145 3.499 1.489 1.00 20.05 H new ATOM 0 HA ILE X 458 9.308 2.068 2.500 1.00 63.42 H new ATOM 0 HB ILE X 458 7.940 1.920 -0.218 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.527 1.622 1.865 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.505 0.291 0.726 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.822 -0.377 -0.327 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.131 0.829 -0.281 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.723 -0.099 1.182 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.663 -0.527 3.027 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.134 -0.942 2.114 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.156 0.410 3.271 1.00 74.53 H new ATOM 482 N ILE X 459 9.989 3.821 -0.231 1.00 30.41 N ATOM 483 CA ILE X 459 11.075 4.393 -1.016 1.00 14.13 C ATOM 484 C ILE X 459 11.914 5.353 -0.179 1.00 54.12 C ATOM 485 O ILE X 459 13.132 5.420 -0.328 1.00 73.32 O ATOM 486 CB ILE X 459 10.542 5.141 -2.253 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.696 5.522 -3.183 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.765 6.379 -1.830 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.371 5.354 -4.650 1.00 14.20 C ATOM 0 H ILE X 459 9.056 4.065 -0.562 1.00 30.41 H new ATOM 0 HA ILE X 459 11.698 3.561 -1.344 1.00 14.13 H new ATOM 0 HB ILE X 459 9.866 4.480 -2.795 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.974 6.559 -2.997 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.565 4.911 -2.939 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.395 6.896 -2.715 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.923 6.084 -1.204 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.420 7.045 -1.268 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.235 5.643 -5.249 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.122 4.312 -4.850 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.522 5.986 -4.909 1.00 14.20 H new ATOM 500 N GLU X 460 11.250 6.093 0.705 1.00 70.03 N ATOM 501 CA GLU X 460 11.936 7.048 1.568 1.00 55.24 C ATOM 502 C GLU X 460 12.904 6.336 2.507 1.00 12.02 C ATOM 503 O GLU X 460 14.076 6.698 2.600 1.00 12.20 O ATOM 504 CB GLU X 460 10.920 7.855 2.380 1.00 64.30 C ATOM 505 CG GLU X 460 11.551 8.708 3.469 1.00 23.33 C ATOM 506 CD GLU X 460 10.678 9.881 3.870 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.661 10.888 3.131 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.013 9.792 4.923 1.00 74.02 O ATOM 0 H GLU X 460 10.240 6.049 0.842 1.00 70.03 H new ATOM 0 HA GLU X 460 12.507 7.727 0.934 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.358 8.500 1.705 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.205 7.170 2.835 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.745 8.088 4.344 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.515 9.079 3.122 1.00 23.33 H new ATOM 513 N ALA X 461 12.404 5.320 3.204 1.00 23.10 N ATOM 514 CA ALA X 461 13.224 4.556 4.135 1.00 30.24 C ATOM 515 C ALA X 461 14.382 3.873 3.415 1.00 45.21 C ATOM 516 O ALA X 461 15.513 3.869 3.901 1.00 60.24 O ATOM 517 CB ALA X 461 12.373 3.526 4.865 1.00 43.23 C ATOM 0 H ALA X 461 11.435 5.008 3.141 1.00 23.10 H new ATOM 0 HA ALA X 461 13.643 5.249 4.865 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.998 2.962 5.557 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.584 4.033 5.420 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.927 2.844 4.141 1.00 43.23 H new ATOM 523 N LEU X 462 14.093 3.297 2.254 1.00 41.14 N ATOM 524 CA LEU X 462 15.111 2.610 1.465 1.00 32.12 C ATOM 525 C LEU X 462 16.249 3.557 1.102 1.00 23.05 C ATOM 526 O LEU X 462 17.414 3.279 1.383 1.00 51.52 O ATOM 527 CB LEU X 462 14.492 2.027 0.193 1.00 22.31 C ATOM 528 CG LEU X 462 13.873 0.635 0.325 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.937 0.355 -0.840 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.959 -0.426 0.407 1.00 72.43 C ATOM 0 H LEU X 462 13.162 3.292 1.837 1.00 41.14 H new ATOM 0 HA LEU X 462 15.517 1.798 2.069 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.722 2.713 -0.160 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.262 1.989 -0.577 1.00 22.31 H new ATOM 0 HG LEU X 462 13.292 0.602 1.247 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.506 -0.640 -0.729 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.139 1.097 -0.852 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.495 0.407 -1.775 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.500 -1.410 0.501 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.568 -0.394 -0.497 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.589 -0.235 1.276 1.00 72.43 H new ATOM 541 N GLU X 463 15.903 4.680 0.479 1.00 4.01 N ATOM 542 CA GLU X 463 16.896 5.669 0.079 1.00 14.12 C ATOM 543 C GLU X 463 17.676 6.176 1.290 1.00 33.23 C ATOM 544 O GLU X 463 18.880 6.421 1.209 1.00 3.32 O ATOM 545 CB GLU X 463 16.223 6.842 -0.635 1.00 41.55 C ATOM 546 CG GLU X 463 15.392 6.426 -1.837 1.00 22.34 C ATOM 547 CD GLU X 463 16.038 6.812 -3.155 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.277 6.975 -3.181 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.308 6.950 -4.157 1.00 1.41 O ATOM 0 H GLU X 463 14.942 4.927 0.241 1.00 4.01 H new ATOM 0 HA GLU X 463 17.594 5.189 -0.607 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.584 7.369 0.073 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.989 7.547 -0.959 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.240 5.347 -1.813 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.407 6.888 -1.770 1.00 22.34 H new ATOM 554 N LYS X 464 16.981 6.332 2.411 1.00 23.51 N ATOM 555 CA LYS X 464 17.605 6.810 3.639 1.00 44.12 C ATOM 556 C LYS X 464 18.482 5.727 4.259 1.00 71.21 C ATOM 557 O LYS X 464 19.410 6.021 5.013 1.00 34.14 O ATOM 558 CB LYS X 464 16.537 7.252 4.640 1.00 41.33 C ATOM 559 CG LYS X 464 15.808 8.520 4.233 1.00 1.43 C ATOM 560 CD LYS X 464 14.527 8.707 5.028 1.00 74.45 C ATOM 561 CE LYS X 464 14.815 9.191 6.442 1.00 13.32 C ATOM 562 NZ LYS X 464 15.159 8.065 7.353 1.00 54.43 N ATOM 0 H LYS X 464 15.984 6.134 2.495 1.00 23.51 H new ATOM 0 HA LYS X 464 18.234 7.664 3.389 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.810 6.449 4.761 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.005 7.408 5.612 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.460 9.380 4.385 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.574 8.481 3.169 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.884 9.426 4.520 1.00 74.45 H new ATOM 0 HD3 LYS X 464 13.982 7.764 5.069 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.638 9.906 6.421 1.00 13.32 H new ATOM 0 HE3 LYS X 464 13.944 9.719 6.830 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.673 8.194 8.263 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 14.858 7.167 6.924 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 16.187 8.047 7.509 1.00 54.43 H new ATOM 572 N THR X 465 18.184 4.472 3.936 1.00 13.11 N ATOM 573 CA THR X 465 18.945 3.347 4.462 1.00 52.11 C ATOM 574 C THR X 465 20.069 2.950 3.511 1.00 75.51 C ATOM 575 O THR X 465 20.974 2.204 3.881 1.00 65.34 O ATOM 576 CB THR X 465 18.041 2.123 4.709 1.00 42.21 C ATOM 577 OG1 THR X 465 17.274 1.837 3.534 1.00 52.14 O ATOM 578 CG2 THR X 465 17.107 2.369 5.883 1.00 61.42 C ATOM 0 H THR X 465 17.421 4.210 3.312 1.00 13.11 H new ATOM 0 HA THR X 465 19.373 3.671 5.411 1.00 52.11 H new ATOM 0 HB THR X 465 18.677 1.270 4.944 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.639 2.338 2.775 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.479 1.492 6.038 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.694 2.559 6.782 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.477 3.233 5.672 1.00 61.42 H new ATOM 586 N GLY X 466 20.004 3.455 2.282 1.00 31.45 N ATOM 587 CA GLY X 466 21.022 3.143 1.297 1.00 73.12 C ATOM 588 C GLY X 466 20.591 2.043 0.346 1.00 2.02 C ATOM 589 O GLY X 466 21.394 1.188 -0.029 1.00 72.31 O ATOM 0 H GLY X 466 19.264 4.075 1.952 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.258 4.041 0.726 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.936 2.840 1.807 1.00 73.12 H new ATOM 593 N TYR X 467 19.322 2.064 -0.042 1.00 22.12 N ATOM 594 CA TYR X 467 18.784 1.059 -0.952 1.00 42.34 C ATOM 595 C TYR X 467 18.918 -0.340 -0.358 1.00 41.45 C ATOM 596 O TYR X 467 19.459 -1.247 -0.990 1.00 0.12 O ATOM 597 CB TYR X 467 19.505 1.123 -2.300 1.00 12.11 C ATOM 598 CG TYR X 467 19.394 2.468 -2.982 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.153 3.015 -3.285 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.530 3.191 -3.324 1.00 42.12 C ATOM 601 CE1 TYR X 467 18.046 4.243 -3.909 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.433 4.421 -3.947 1.00 24.43 C ATOM 603 CZ TYR X 467 19.190 4.942 -4.237 1.00 42.32 C ATOM 604 OH TYR X 467 19.088 6.166 -4.858 1.00 45.41 O ATOM 0 H TYR X 467 18.646 2.766 0.259 1.00 22.12 H new ATOM 0 HA TYR X 467 17.726 1.271 -1.103 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.558 0.886 -2.151 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.096 0.356 -2.958 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.256 2.471 -3.028 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.505 2.785 -3.099 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.074 4.653 -4.139 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.326 4.971 -4.205 1.00 24.43 H new ATOM 0 HH TYR X 467 18.586 6.783 -4.285 1.00 45.41 H new ATOM 613 N VAL X 468 18.419 -0.508 0.862 1.00 21.22 N ATOM 614 CA VAL X 468 18.479 -1.795 1.543 1.00 11.54 C ATOM 615 C VAL X 468 17.110 -2.198 2.081 1.00 22.10 C ATOM 616 O VAL X 468 16.580 -1.566 2.996 1.00 25.15 O ATOM 617 CB VAL X 468 19.488 -1.768 2.706 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.626 -3.151 3.326 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.836 -1.251 2.229 1.00 32.52 C ATOM 0 H VAL X 468 17.968 0.232 1.400 1.00 21.22 H new ATOM 0 HA VAL X 468 18.806 -2.528 0.805 1.00 11.54 H new ATOM 0 HB VAL X 468 19.115 -1.089 3.472 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.343 -3.112 4.146 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.658 -3.478 3.706 1.00 2.22 H new ATOM 0 HG13 VAL X 468 19.976 -3.855 2.571 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.537 -1.239 3.064 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.218 -1.903 1.444 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.720 -0.240 1.837 1.00 32.52 H new ATOM 629 N LYS X 469 16.542 -3.253 1.508 1.00 2.33 N ATOM 630 CA LYS X 469 15.235 -3.742 1.930 1.00 73.34 C ATOM 631 C LYS X 469 15.243 -4.111 3.410 1.00 0.52 C ATOM 632 O LYS X 469 14.314 -3.784 4.147 1.00 43.22 O ATOM 633 CB LYS X 469 14.827 -4.957 1.093 1.00 64.33 C ATOM 634 CG LYS X 469 14.212 -4.593 -0.247 1.00 65.33 C ATOM 635 CD LYS X 469 13.368 -5.730 -0.800 1.00 74.35 C ATOM 636 CE LYS X 469 13.350 -5.722 -2.321 1.00 63.33 C ATOM 637 NZ LYS X 469 14.489 -6.490 -2.894 1.00 50.11 N ATOM 0 H LYS X 469 16.967 -3.786 0.749 1.00 2.33 H new ATOM 0 HA LYS X 469 14.510 -2.943 1.777 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.704 -5.582 0.923 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.114 -5.556 1.660 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.595 -3.702 -0.135 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.002 -4.347 -0.956 1.00 65.33 H new ATOM 0 HD2 LYS X 469 13.761 -6.683 -0.445 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.349 -5.645 -0.423 1.00 74.35 H new ATOM 0 HE2 LYS X 469 12.411 -6.147 -2.675 1.00 63.33 H new ATOM 0 HE3 LYS X 469 13.389 -4.693 -2.679 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.440 -6.460 -3.932 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 15.386 -6.069 -2.577 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 14.438 -7.478 -2.573 1.00 50.11 H new ATOM 647 N SER X 470 16.302 -4.793 3.839 1.00 71.13 N ATOM 648 CA SER X 470 16.430 -5.209 5.231 1.00 51.22 C ATOM 649 C SER X 470 16.360 -4.005 6.165 1.00 51.22 C ATOM 650 O SER X 470 15.568 -3.982 7.108 1.00 14.32 O ATOM 651 CB SER X 470 17.748 -5.957 5.441 1.00 52.44 C ATOM 652 OG SER X 470 17.597 -7.340 5.174 1.00 5.24 O ATOM 0 H SER X 470 17.082 -5.068 3.243 1.00 71.13 H new ATOM 0 HA SER X 470 15.600 -5.876 5.465 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.515 -5.539 4.789 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.090 -5.817 6.466 1.00 52.44 H new ATOM 0 HG SER X 470 18.453 -7.796 5.314 1.00 5.24 H new ATOM 657 N ARG X 471 17.195 -3.006 5.898 1.00 75.24 N ATOM 658 CA ARG X 471 17.229 -1.799 6.714 1.00 11.02 C ATOM 659 C ARG X 471 15.918 -1.027 6.599 1.00 64.24 C ATOM 660 O ARG X 471 15.410 -0.498 7.586 1.00 23.30 O ATOM 661 CB ARG X 471 18.398 -0.906 6.295 1.00 3.34 C ATOM 662 CG ARG X 471 19.762 -1.527 6.553 1.00 74.42 C ATOM 663 CD ARG X 471 20.835 -0.898 5.678 1.00 11.42 C ATOM 664 NE ARG X 471 21.669 0.041 6.422 1.00 42.13 N ATOM 665 CZ ARG X 471 22.882 0.415 6.032 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.400 -0.066 4.910 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.580 1.275 6.764 1.00 13.40 N ATOM 0 H ARG X 471 17.857 -3.009 5.122 1.00 75.24 H new ATOM 0 HA ARG X 471 17.364 -2.098 7.753 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.307 -0.677 5.233 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.332 0.040 6.832 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.027 -1.402 7.603 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.717 -2.599 6.361 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.462 -1.682 5.254 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.364 -0.380 4.843 1.00 11.42 H new ATOM 0 HE ARG X 471 21.300 0.431 7.289 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.866 -0.725 4.344 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.332 0.223 4.613 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.185 1.649 7.627 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.512 1.562 6.464 1.00 13.40 H new ATOM 678 N ALA X 472 15.378 -0.966 5.386 1.00 63.50 N ATOM 679 CA ALA X 472 14.126 -0.260 5.142 1.00 51.02 C ATOM 680 C ALA X 472 12.966 -0.933 5.867 1.00 14.44 C ATOM 681 O ALA X 472 12.028 -0.270 6.308 1.00 62.31 O ATOM 682 CB ALA X 472 13.846 -0.184 3.648 1.00 12.21 C ATOM 0 H ALA X 472 15.788 -1.397 4.557 1.00 63.50 H new ATOM 0 HA ALA X 472 14.226 0.752 5.534 1.00 51.02 H new ATOM 0 HB1 ALA X 472 12.908 0.346 3.480 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.657 0.349 3.152 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.771 -1.192 3.240 1.00 12.21 H new ATOM 688 N ALA X 473 13.035 -2.256 5.985 1.00 33.12 N ATOM 689 CA ALA X 473 11.990 -3.018 6.657 1.00 5.31 C ATOM 690 C ALA X 473 12.046 -2.813 8.167 1.00 1.25 C ATOM 691 O ALA X 473 11.045 -2.467 8.794 1.00 50.13 O ATOM 692 CB ALA X 473 12.116 -4.496 6.319 1.00 61.31 C ATOM 0 H ALA X 473 13.803 -2.821 5.624 1.00 33.12 H new ATOM 0 HA ALA X 473 11.025 -2.656 6.303 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.330 -5.054 6.827 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.019 -4.632 5.242 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.089 -4.862 6.645 1.00 61.31 H new ATOM 698 N LYS X 474 13.222 -3.029 8.746 1.00 62.03 N ATOM 699 CA LYS X 474 13.410 -2.867 10.183 1.00 24.40 C ATOM 700 C LYS X 474 13.171 -1.420 10.603 1.00 54.40 C ATOM 701 O LYS X 474 12.694 -1.155 11.707 1.00 74.45 O ATOM 702 CB LYS X 474 14.821 -3.299 10.585 1.00 34.32 C ATOM 703 CG LYS X 474 15.920 -2.584 9.816 1.00 3.21 C ATOM 704 CD LYS X 474 16.317 -1.284 10.493 1.00 54.32 C ATOM 705 CE LYS X 474 17.734 -1.352 11.043 1.00 20.00 C ATOM 706 NZ LYS X 474 17.754 -1.771 12.473 1.00 3.13 N ATOM 0 H LYS X 474 14.060 -3.317 8.242 1.00 62.03 H new ATOM 0 HA LYS X 474 12.684 -3.500 10.693 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.958 -3.117 11.651 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.921 -4.373 10.430 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.791 -3.234 9.735 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.581 -2.378 8.801 1.00 3.21 H new ATOM 0 HD2 LYS X 474 16.241 -0.463 9.780 1.00 54.32 H new ATOM 0 HD3 LYS X 474 15.621 -1.067 11.303 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.320 -2.054 10.450 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.210 -0.376 10.944 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.737 -1.805 12.811 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 17.216 -1.087 13.043 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 17.323 -2.713 12.565 1.00 3.13 H new ATOM 716 N LEU X 475 13.503 -0.489 9.716 1.00 10.44 N ATOM 717 CA LEU X 475 13.323 0.931 9.995 1.00 74.31 C ATOM 718 C LEU X 475 11.847 1.315 9.937 1.00 24.12 C ATOM 719 O LEU X 475 11.321 1.939 10.859 1.00 74.13 O ATOM 720 CB LEU X 475 14.120 1.773 8.995 1.00 52.05 C ATOM 721 CG LEU X 475 14.364 3.230 9.390 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.495 3.823 8.564 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.092 4.049 9.223 1.00 53.02 C ATOM 0 H LEU X 475 13.898 -0.692 8.798 1.00 10.44 H new ATOM 0 HA LEU X 475 13.692 1.127 11.002 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.086 1.294 8.835 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.596 1.759 8.039 1.00 52.05 H new ATOM 0 HG LEU X 475 14.654 3.259 10.440 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.655 4.860 8.858 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.408 3.252 8.734 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.234 3.782 7.507 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.285 5.083 9.509 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.771 4.014 8.182 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.308 3.637 9.859 1.00 53.02 H new ATOM 734 N LEU X 476 11.186 0.936 8.851 1.00 14.12 N ATOM 735 CA LEU X 476 9.769 1.238 8.673 1.00 2.33 C ATOM 736 C LEU X 476 8.924 0.511 9.714 1.00 41.31 C ATOM 737 O LEU X 476 7.979 1.076 10.266 1.00 65.41 O ATOM 738 CB LEU X 476 9.316 0.843 7.266 1.00 21.22 C ATOM 739 CG LEU X 476 9.776 1.759 6.131 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.788 1.007 4.810 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.880 2.985 6.040 1.00 71.10 C ATOM 0 H LEU X 476 11.607 0.419 8.079 1.00 14.12 H new ATOM 0 HA LEU X 476 9.632 2.311 8.804 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.675 -0.166 7.060 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.227 0.802 7.255 1.00 21.22 H new ATOM 0 HG LEU X 476 10.792 2.090 6.346 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.118 1.675 4.014 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.471 0.160 4.880 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.784 0.646 4.588 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.222 3.626 5.227 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.854 2.672 5.848 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.922 3.537 6.979 1.00 71.10 H new ATOM 752 N GLY X 477 9.270 -0.745 9.980 1.00 45.23 N ATOM 753 CA GLY X 477 8.534 -1.527 10.955 1.00 22.13 C ATOM 754 C GLY X 477 7.861 -2.737 10.341 1.00 61.31 C ATOM 755 O GLY X 477 6.918 -3.289 10.909 1.00 35.21 O ATOM 0 H GLY X 477 10.047 -1.235 9.537 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.214 -1.854 11.742 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.780 -0.897 11.427 1.00 22.13 H new ATOM 759 N TYR X 478 8.344 -3.152 9.175 1.00 41.35 N ATOM 760 CA TYR X 478 7.780 -4.302 8.479 1.00 51.13 C ATOM 761 C TYR X 478 8.833 -5.387 8.279 1.00 65.31 C ATOM 762 O TYR X 478 10.034 -5.128 8.359 1.00 40.51 O ATOM 763 CB TYR X 478 7.206 -3.876 7.127 1.00 71.43 C ATOM 764 CG TYR X 478 6.374 -2.616 7.191 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.468 -2.411 8.224 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.494 -1.630 6.220 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.704 -1.261 8.287 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.736 -0.476 6.276 1.00 51.13 C ATOM 769 CZ TYR X 478 4.843 -0.297 7.312 1.00 63.32 C ATOM 770 OH TYR X 478 4.086 0.851 7.370 1.00 43.33 O ATOM 0 H TYR X 478 9.125 -2.709 8.692 1.00 41.35 H new ATOM 0 HA TYR X 478 6.977 -4.709 9.094 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.026 -3.724 6.425 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.593 -4.686 6.731 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.359 -3.163 8.991 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.192 -1.768 5.407 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.002 -1.119 9.095 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.842 0.281 5.513 1.00 51.13 H new ATOM 0 HH TYR X 478 4.306 1.427 6.608 1.00 43.33 H new ATOM 779 N THR X 479 8.374 -6.608 8.015 1.00 31.11 N ATOM 780 CA THR X 479 9.275 -7.733 7.803 1.00 32.34 C ATOM 781 C THR X 479 9.684 -7.842 6.338 1.00 71.23 C ATOM 782 O THR X 479 9.067 -7.232 5.464 1.00 3.54 O ATOM 783 CB THR X 479 8.628 -9.061 8.243 1.00 31.32 C ATOM 784 OG1 THR X 479 9.526 -10.148 7.998 1.00 41.35 O ATOM 785 CG2 THR X 479 7.321 -9.298 7.503 1.00 33.32 C ATOM 0 H THR X 479 7.384 -6.841 7.943 1.00 31.11 H new ATOM 0 HA THR X 479 10.160 -7.548 8.412 1.00 32.34 H new ATOM 0 HB THR X 479 8.416 -9.000 9.310 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.108 -10.988 8.282 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.883 -10.241 7.830 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.629 -8.483 7.717 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.512 -9.340 6.431 1.00 33.32 H new ATOM 793 N LEU X 480 10.727 -8.623 6.076 1.00 51.22 N ATOM 794 CA LEU X 480 11.218 -8.813 4.716 1.00 73.24 C ATOM 795 C LEU X 480 10.080 -9.190 3.774 1.00 73.11 C ATOM 796 O LEU X 480 10.047 -8.760 2.620 1.00 12.40 O ATOM 797 CB LEU X 480 12.298 -9.895 4.689 1.00 54.35 C ATOM 798 CG LEU X 480 12.941 -10.168 3.329 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.385 -10.615 3.501 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.145 -11.214 2.562 1.00 24.30 C ATOM 0 H LEU X 480 11.249 -9.135 6.788 1.00 51.22 H new ATOM 0 HA LEU X 480 11.648 -7.871 4.377 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.084 -9.613 5.390 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.862 -10.824 5.055 1.00 54.35 H new ATOM 0 HG LEU X 480 12.935 -9.242 2.754 1.00 42.31 H new ATOM 0 HD11 LEU X 480 14.826 -10.805 2.522 1.00 10.34 H new ATOM 0 HD12 LEU X 480 14.950 -9.833 4.008 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.415 -11.528 4.096 1.00 10.34 H new ATOM 0 HD21 LEU X 480 12.618 -11.395 1.597 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.119 -12.142 3.133 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.128 -10.855 2.406 1.00 24.30 H new ATOM 811 N ARG X 481 9.146 -9.994 4.273 1.00 60.01 N ATOM 812 CA ARG X 481 8.006 -10.428 3.476 1.00 5.23 C ATOM 813 C ARG X 481 7.102 -9.247 3.133 1.00 63.40 C ATOM 814 O ARG X 481 6.753 -9.040 1.971 1.00 34.21 O ATOM 815 CB ARG X 481 7.206 -11.494 4.229 1.00 22.32 C ATOM 816 CG ARG X 481 6.322 -12.341 3.328 1.00 15.42 C ATOM 817 CD ARG X 481 5.294 -13.122 4.132 1.00 33.20 C ATOM 818 NE ARG X 481 4.459 -12.246 4.949 1.00 11.02 N ATOM 819 CZ ARG X 481 3.515 -12.689 5.773 1.00 23.35 C ATOM 820 NH1 ARG X 481 3.288 -13.990 5.888 1.00 64.23 N ATOM 821 NH2 ARG X 481 2.795 -11.830 6.483 1.00 54.34 N ATOM 0 H ARG X 481 9.157 -10.358 5.226 1.00 60.01 H new ATOM 0 HA ARG X 481 8.385 -10.856 2.548 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.898 -12.146 4.762 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.584 -11.007 4.980 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.812 -11.700 2.609 1.00 15.42 H new ATOM 0 HG3 ARG X 481 6.940 -13.033 2.756 1.00 15.42 H new ATOM 0 HD2 ARG X 481 4.663 -13.696 3.453 1.00 33.20 H new ATOM 0 HD3 ARG X 481 5.805 -13.839 4.775 1.00 33.20 H new ATOM 0 HE ARG X 481 4.608 -11.239 4.884 1.00 11.02 H new ATOM 0 HH11 ARG X 481 3.838 -14.654 5.343 1.00 64.23 H new ATOM 0 HH12 ARG X 481 2.563 -14.327 6.521 1.00 64.23 H new ATOM 0 HH21 ARG X 481 2.966 -10.828 6.397 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.071 -12.172 7.115 1.00 54.34 H new ATOM 832 N GLN X 482 6.726 -8.480 4.151 1.00 43.45 N ATOM 833 CA GLN X 482 5.863 -7.321 3.955 1.00 74.43 C ATOM 834 C GLN X 482 6.519 -6.302 3.031 1.00 15.22 C ATOM 835 O GLN X 482 5.940 -5.901 2.020 1.00 24.12 O ATOM 836 CB GLN X 482 5.535 -6.672 5.301 1.00 61.30 C ATOM 837 CG GLN X 482 4.580 -7.489 6.155 1.00 11.44 C ATOM 838 CD GLN X 482 3.342 -7.922 5.395 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.357 -8.923 4.678 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.259 -7.169 5.549 1.00 62.51 N ATOM 0 H GLN X 482 7.005 -8.640 5.119 1.00 43.45 H new ATOM 0 HA GLN X 482 4.939 -7.662 3.488 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.461 -6.516 5.855 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.100 -5.688 5.124 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.098 -8.371 6.530 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.282 -6.901 7.023 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.291 -6.348 6.153 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.396 -7.412 5.063 1.00 62.51 H new ATOM 847 N LEU X 483 7.730 -5.885 3.383 1.00 30.43 N ATOM 848 CA LEU X 483 8.467 -4.911 2.585 1.00 23.25 C ATOM 849 C LEU X 483 8.570 -5.365 1.132 1.00 43.34 C ATOM 850 O LEU X 483 8.231 -4.619 0.213 1.00 12.42 O ATOM 851 CB LEU X 483 9.866 -4.699 3.166 1.00 32.11 C ATOM 852 CG LEU X 483 10.622 -3.469 2.663 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.559 -2.348 3.689 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.068 -3.824 2.347 1.00 65.25 C ATOM 0 H LEU X 483 8.223 -6.206 4.216 1.00 30.43 H new ATOM 0 HA LEU X 483 7.922 -3.967 2.614 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.781 -4.630 4.250 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.466 -5.583 2.949 1.00 32.11 H new ATOM 0 HG LEU X 483 10.145 -3.123 1.746 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.102 -1.481 3.314 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.519 -2.075 3.867 1.00 33.51 H new ATOM 0 HD13 LEU X 483 11.011 -2.683 4.623 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.591 -2.937 1.990 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.557 -4.196 3.248 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.093 -4.594 1.576 1.00 65.25 H new ATOM 865 N ASP X 484 9.039 -6.592 0.934 1.00 4.40 N ATOM 866 CA ASP X 484 9.184 -7.146 -0.408 1.00 74.33 C ATOM 867 C ASP X 484 7.873 -7.047 -1.182 1.00 23.13 C ATOM 868 O ASP X 484 7.854 -6.621 -2.336 1.00 2.41 O ATOM 869 CB ASP X 484 9.638 -8.605 -0.333 1.00 53.22 C ATOM 870 CG ASP X 484 9.932 -9.191 -1.700 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.768 -8.613 -2.425 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.326 -10.226 -2.045 1.00 12.45 O ATOM 0 H ASP X 484 9.325 -7.221 1.684 1.00 4.40 H new ATOM 0 HA ASP X 484 9.940 -6.564 -0.935 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.531 -8.673 0.288 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.865 -9.198 0.155 1.00 53.22 H new ATOM 876 N TYR X 485 6.781 -7.443 -0.539 1.00 62.24 N ATOM 877 CA TYR X 485 5.466 -7.402 -1.168 1.00 54.52 C ATOM 878 C TYR X 485 5.124 -5.987 -1.623 1.00 35.33 C ATOM 879 O TYR X 485 4.507 -5.793 -2.671 1.00 43.32 O ATOM 880 CB TYR X 485 4.397 -7.909 -0.198 1.00 42.42 C ATOM 881 CG TYR X 485 3.221 -8.566 -0.883 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.375 -9.758 -1.582 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.954 -7.997 -0.830 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.303 -10.360 -2.210 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.876 -8.594 -1.454 1.00 35.54 C ATOM 886 CZ TYR X 485 1.056 -9.775 -2.143 1.00 72.11 C ATOM 887 OH TYR X 485 -0.016 -10.374 -2.766 1.00 32.54 O ATOM 0 H TYR X 485 6.780 -7.796 0.418 1.00 62.24 H new ATOM 0 HA TYR X 485 5.490 -8.051 -2.044 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.851 -8.622 0.490 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.037 -7.073 0.402 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.349 -10.221 -1.635 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.810 -7.072 -0.292 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.440 -11.285 -2.751 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.102 -8.139 -1.403 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.821 -9.835 -2.622 1.00 32.54 H new ATOM 896 N ARG X 486 5.531 -5.002 -0.829 1.00 30.20 N ATOM 897 CA ARG X 486 5.268 -3.605 -1.151 1.00 23.23 C ATOM 898 C ARG X 486 6.118 -3.149 -2.333 1.00 23.24 C ATOM 899 O ARG X 486 5.656 -2.389 -3.185 1.00 73.10 O ATOM 900 CB ARG X 486 5.550 -2.719 0.065 1.00 32.34 C ATOM 901 CG ARG X 486 4.307 -2.381 0.872 1.00 43.42 C ATOM 902 CD ARG X 486 3.985 -3.471 1.882 1.00 11.40 C ATOM 903 NE ARG X 486 2.560 -3.518 2.201 1.00 15.11 N ATOM 904 CZ ARG X 486 1.962 -4.574 2.742 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.663 -5.663 3.024 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.663 -4.540 3.004 1.00 1.14 N ATOM 0 H ARG X 486 6.044 -5.146 0.041 1.00 30.20 H new ATOM 0 HA ARG X 486 4.217 -3.513 -1.425 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.268 -3.223 0.713 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.018 -1.794 -0.271 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.456 -1.434 1.392 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.460 -2.246 0.199 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.300 -4.437 1.486 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.555 -3.299 2.795 1.00 11.40 H new ATOM 0 HE ARG X 486 1.993 -2.695 1.997 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.663 -5.691 2.826 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.202 -6.473 3.439 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.121 -3.703 2.790 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.205 -5.351 3.419 1.00 1.14 H new ATOM 917 N ILE X 487 7.360 -3.618 -2.378 1.00 12.05 N ATOM 918 CA ILE X 487 8.273 -3.259 -3.456 1.00 10.12 C ATOM 919 C ILE X 487 7.767 -3.772 -4.799 1.00 62.30 C ATOM 920 O ILE X 487 7.837 -3.073 -5.810 1.00 15.43 O ATOM 921 CB ILE X 487 9.686 -3.819 -3.206 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.276 -3.222 -1.926 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.589 -3.530 -4.396 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.304 -1.709 -1.922 1.00 35.13 C ATOM 0 H ILE X 487 7.757 -4.247 -1.681 1.00 12.05 H new ATOM 0 HA ILE X 487 8.320 -2.170 -3.480 1.00 10.12 H new ATOM 0 HB ILE X 487 9.615 -4.900 -3.082 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.695 -3.569 -1.072 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.291 -3.597 -1.794 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.584 -3.932 -4.204 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.175 -3.998 -5.289 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.656 -2.453 -4.549 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.734 -1.356 -0.985 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.909 -1.354 -2.756 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.288 -1.326 -2.022 1.00 35.13 H new ATOM 935 N LYS X 488 7.252 -4.997 -4.803 1.00 1.41 N ATOM 936 CA LYS X 488 6.730 -5.604 -6.022 1.00 43.53 C ATOM 937 C LYS X 488 5.391 -4.983 -6.408 1.00 53.44 C ATOM 938 O LYS X 488 5.116 -4.756 -7.586 1.00 72.22 O ATOM 939 CB LYS X 488 6.568 -7.114 -5.834 1.00 2.51 C ATOM 940 CG LYS X 488 5.674 -7.490 -4.665 1.00 3.34 C ATOM 941 CD LYS X 488 5.565 -8.998 -4.508 1.00 3.43 C ATOM 942 CE LYS X 488 4.873 -9.635 -5.703 1.00 41.43 C ATOM 943 NZ LYS X 488 5.847 -10.055 -6.749 1.00 22.33 N ATOM 0 H LYS X 488 7.185 -5.589 -3.975 1.00 1.41 H new ATOM 0 HA LYS X 488 7.442 -5.418 -6.826 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.157 -7.543 -6.748 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.551 -7.561 -5.687 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.071 -7.056 -3.748 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.681 -7.066 -4.814 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.561 -9.426 -4.393 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.011 -9.231 -3.599 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.300 -10.501 -5.372 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.163 -8.928 -6.131 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 5.569 -9.649 -7.665 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.797 -9.717 -6.495 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 5.856 -11.093 -6.818 1.00 22.33 H new ATOM 953 N LYS X 489 4.561 -4.708 -5.407 1.00 24.34 N ATOM 954 CA LYS X 489 3.251 -4.110 -5.640 1.00 21.32 C ATOM 955 C LYS X 489 3.390 -2.673 -6.134 1.00 63.33 C ATOM 956 O LYS X 489 2.718 -2.266 -7.083 1.00 53.33 O ATOM 957 CB LYS X 489 2.417 -4.142 -4.358 1.00 54.52 C ATOM 958 CG LYS X 489 1.405 -5.273 -4.319 1.00 54.51 C ATOM 959 CD LYS X 489 2.082 -6.631 -4.397 1.00 14.12 C ATOM 960 CE LYS X 489 1.072 -7.746 -4.615 1.00 62.31 C ATOM 961 NZ LYS X 489 0.507 -7.720 -5.993 1.00 3.10 N ATOM 0 H LYS X 489 4.772 -4.890 -4.426 1.00 24.34 H new ATOM 0 HA LYS X 489 2.744 -4.693 -6.409 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.085 -4.234 -3.502 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.892 -3.192 -4.252 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.822 -5.209 -3.401 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.706 -5.166 -5.149 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.807 -6.631 -5.211 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.636 -6.816 -3.477 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.550 -8.709 -4.436 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.264 -7.652 -3.889 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.001 -8.608 -6.177 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.151 -6.920 -6.083 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.278 -7.614 -6.682 1.00 3.10 H new ATOM 971 N TYR X 490 4.266 -1.913 -5.488 1.00 63.10 N ATOM 972 CA TYR X 490 4.491 -0.521 -5.861 1.00 65.13 C ATOM 973 C TYR X 490 5.571 -0.413 -6.933 1.00 43.30 C ATOM 974 O TYR X 490 5.879 0.677 -7.413 1.00 45.35 O ATOM 975 CB TYR X 490 4.890 0.300 -4.634 1.00 31.24 C ATOM 976 CG TYR X 490 3.801 0.396 -3.590 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.568 0.959 -3.893 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.005 -0.077 -2.299 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.569 1.049 -2.941 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.013 0.008 -1.341 1.00 30.22 C ATOM 981 CZ TYR X 490 1.797 0.571 -1.668 1.00 51.31 C ATOM 982 OH TYR X 490 0.806 0.659 -0.717 1.00 54.23 O ATOM 0 H TYR X 490 4.832 -2.237 -4.704 1.00 63.10 H new ATOM 0 HA TYR X 490 3.560 -0.125 -6.267 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.777 -0.145 -4.182 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.165 1.305 -4.954 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.386 1.333 -4.890 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.956 -0.519 -2.040 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.616 1.491 -3.193 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.189 -0.364 -0.342 1.00 30.22 H new ATOM 0 HH TYR X 490 0.573 -0.240 -0.403 1.00 54.23 H new ATOM 991 N GLY X 491 6.144 -1.554 -7.304 1.00 12.33 N ATOM 992 CA GLY X 491 7.184 -1.567 -8.317 1.00 73.13 C ATOM 993 C GLY X 491 8.292 -0.576 -8.022 1.00 70.25 C ATOM 994 O GLY X 491 8.745 0.141 -8.914 1.00 25.21 O ATOM 0 H GLY X 491 5.907 -2.469 -6.921 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.606 -2.569 -8.387 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.744 -1.338 -9.288 1.00 73.13 H new ATOM 998 N ILE X 492 8.729 -0.534 -6.768 1.00 33.34 N ATOM 999 CA ILE X 492 9.790 0.377 -6.359 1.00 12.35 C ATOM 1000 C ILE X 492 11.154 -0.126 -6.818 1.00 73.33 C ATOM 1001 O ILE X 492 11.354 -1.327 -6.999 1.00 45.43 O ATOM 1002 CB ILE X 492 9.814 0.565 -4.830 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.395 0.790 -4.301 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.716 1.731 -4.454 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.327 0.933 -2.797 1.00 21.21 C ATOM 0 H ILE X 492 8.364 -1.121 -6.018 1.00 33.34 H new ATOM 0 HA ILE X 492 9.580 1.336 -6.832 1.00 12.35 H new ATOM 0 HB ILE X 492 10.214 -0.340 -4.373 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.982 1.687 -4.762 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.765 -0.045 -4.607 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.723 1.851 -3.371 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.730 1.534 -4.803 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.343 2.644 -4.918 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.292 1.090 -2.493 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.710 0.027 -2.328 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.930 1.786 -2.485 1.00 21.21 H new ATOM 1016 N GLU X 493 12.091 0.799 -7.003 1.00 41.10 N ATOM 1017 CA GLU X 493 13.436 0.448 -7.440 1.00 52.04 C ATOM 1018 C GLU X 493 14.433 0.580 -6.292 1.00 43.33 C ATOM 1019 O GLU X 493 14.115 1.136 -5.239 1.00 63.45 O ATOM 1020 CB GLU X 493 13.866 1.339 -8.608 1.00 63.11 C ATOM 1021 CG GLU X 493 12.998 1.182 -9.844 1.00 11.52 C ATOM 1022 CD GLU X 493 13.030 2.407 -10.739 1.00 74.15 C ATOM 1023 OE1 GLU X 493 14.115 2.722 -11.273 1.00 62.13 O ATOM 1024 OE2 GLU X 493 11.973 3.049 -10.905 1.00 70.23 O ATOM 0 H GLU X 493 11.942 1.797 -6.857 1.00 41.10 H new ATOM 0 HA GLU X 493 13.423 -0.591 -7.770 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.842 2.381 -8.287 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.899 1.109 -8.868 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.333 0.314 -10.411 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.970 0.986 -9.539 1.00 11.52 H new