USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=9 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+ 158:sc= -0.106 (180deg=-0.445) 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 7:sc= 0.394 USER MOD Single : X 467 TYR OH : rot 43:sc= 1.2 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 470 SER OG : rot 180:sc= 0.0208 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= -0.249 USER MOD Single : X 482 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -168:sc=-0.00595 (180deg=-0.148) USER MOD Single : X 489 LYS NZ :NH3+ 180:sc= -0.361 (180deg=-0.361) USER MOD Single : X 490 TYR OH : rot 120:sc= -1.42 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.071 5.028 1.119 1.00 61.44 N ATOM 395 CA GLU X 454 2.761 3.767 1.360 1.00 4.33 C ATOM 396 C GLU X 454 4.020 3.662 0.505 1.00 54.22 C ATOM 397 O GLU X 454 5.101 3.353 1.006 1.00 33.03 O ATOM 398 CB GLU X 454 1.831 2.587 1.067 1.00 4.25 C ATOM 399 CG GLU X 454 2.325 1.268 1.634 1.00 54.45 C ATOM 400 CD GLU X 454 2.107 1.158 3.131 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.014 0.713 3.541 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.030 1.517 3.892 1.00 25.31 O ATOM 0 HA GLU X 454 3.054 3.738 2.410 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.844 2.802 1.477 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.713 2.488 -0.012 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.811 0.447 1.134 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.387 1.158 1.416 1.00 54.45 H new ATOM 407 N LYS X 455 3.871 3.922 -0.789 1.00 25.33 N ATOM 408 CA LYS X 455 4.995 3.859 -1.716 1.00 0.54 C ATOM 409 C LYS X 455 6.065 4.881 -1.346 1.00 62.42 C ATOM 410 O LYS X 455 7.258 4.578 -1.356 1.00 21.12 O ATOM 411 CB LYS X 455 4.515 4.103 -3.149 1.00 34.23 C ATOM 412 CG LYS X 455 5.623 4.015 -4.184 1.00 13.52 C ATOM 413 CD LYS X 455 5.914 5.370 -4.808 1.00 51.32 C ATOM 414 CE LYS X 455 7.104 6.045 -4.142 1.00 3.43 C ATOM 415 NZ LYS X 455 7.834 6.937 -5.086 1.00 10.05 N ATOM 0 H LYS X 455 2.983 4.178 -1.220 1.00 25.33 H new ATOM 0 HA LYS X 455 5.432 2.863 -1.650 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.742 3.374 -3.393 1.00 34.23 H new ATOM 0 HB3 LYS X 455 4.053 5.089 -3.206 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.528 3.627 -3.717 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.338 3.308 -4.964 1.00 13.52 H new ATOM 0 HD2 LYS X 455 6.113 5.247 -5.873 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.035 6.009 -4.720 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.760 6.625 -3.286 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.785 5.285 -3.759 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.377 7.642 -4.548 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.484 6.370 -5.667 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.152 7.422 -5.703 1.00 10.05 H new ATOM 425 N LYS X 456 5.630 6.093 -1.018 1.00 23.55 N ATOM 426 CA LYS X 456 6.550 7.159 -0.640 1.00 51.54 C ATOM 427 C LYS X 456 7.334 6.784 0.613 1.00 23.14 C ATOM 428 O LYS X 456 8.515 7.110 0.739 1.00 54.11 O ATOM 429 CB LYS X 456 5.782 8.462 -0.404 1.00 65.35 C ATOM 430 CG LYS X 456 5.413 9.192 -1.683 1.00 12.34 C ATOM 431 CD LYS X 456 4.607 10.448 -1.397 1.00 41.13 C ATOM 432 CE LYS X 456 4.544 11.359 -2.614 1.00 35.30 C ATOM 433 NZ LYS X 456 3.859 12.645 -2.308 1.00 61.51 N ATOM 0 H LYS X 456 4.646 6.361 -1.006 1.00 23.55 H new ATOM 0 HA LYS X 456 7.256 7.303 -1.458 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.872 8.241 0.154 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.386 9.122 0.219 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.320 9.457 -2.226 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.837 8.528 -2.328 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.597 10.172 -1.095 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.054 10.986 -0.561 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.554 11.561 -2.969 1.00 35.30 H new ATOM 0 HE3 LYS X 456 4.018 10.850 -3.422 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 3.836 13.238 -3.162 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 2.886 12.454 -1.993 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 4.375 13.143 -1.555 1.00 61.51 H new ATOM 443 N ARG X 457 6.670 6.097 1.537 1.00 71.11 N ATOM 444 CA ARG X 457 7.306 5.678 2.780 1.00 35.12 C ATOM 445 C ARG X 457 8.366 4.613 2.517 1.00 55.14 C ATOM 446 O ARG X 457 9.489 4.704 3.015 1.00 20.31 O ATOM 447 CB ARG X 457 6.259 5.139 3.757 1.00 21.50 C ATOM 448 CG ARG X 457 5.538 6.225 4.538 1.00 50.23 C ATOM 449 CD ARG X 457 6.407 6.775 5.659 1.00 12.04 C ATOM 450 NE ARG X 457 5.770 7.896 6.344 1.00 20.01 N ATOM 451 CZ ARG X 457 6.161 8.350 7.529 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.181 7.781 8.158 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.531 9.375 8.089 1.00 51.31 N ATOM 0 H ARG X 457 5.693 5.819 1.448 1.00 71.11 H new ATOM 0 HA ARG X 457 7.792 6.548 3.221 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.525 4.554 3.203 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.744 4.460 4.458 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.257 7.034 3.864 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.615 5.823 4.956 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.616 5.983 6.378 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.365 7.097 5.251 1.00 12.04 H new ATOM 0 HE ARG X 457 4.982 8.355 5.888 1.00 20.01 H new ATOM 0 HH11 ARG X 457 7.667 6.992 7.731 1.00 71.32 H new ATOM 0 HH12 ARG X 457 7.479 8.132 9.068 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.746 9.815 7.609 1.00 51.31 H new ATOM 0 HH22 ARG X 457 5.832 9.723 8.999 1.00 51.31 H new ATOM 464 N ILE X 458 8.003 3.605 1.731 1.00 20.05 N ATOM 465 CA ILE X 458 8.923 2.524 1.401 1.00 63.42 C ATOM 466 C ILE X 458 10.154 3.053 0.671 1.00 45.00 C ATOM 467 O ILE X 458 11.287 2.768 1.059 1.00 10.42 O ATOM 468 CB ILE X 458 8.245 1.454 0.527 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.048 0.847 1.264 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.242 0.371 0.144 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.441 -0.096 2.379 1.00 74.53 C ATOM 0 H ILE X 458 7.078 3.515 1.311 1.00 20.05 H new ATOM 0 HA ILE X 458 9.228 2.072 2.345 1.00 63.42 H new ATOM 0 HB ILE X 458 7.885 1.927 -0.387 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.440 1.652 1.677 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.425 0.311 0.548 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.746 -0.378 -0.474 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.065 0.816 -0.415 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.630 -0.102 1.046 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.543 -0.488 2.857 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.024 -0.921 1.969 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.039 0.441 3.115 1.00 74.53 H new ATOM 482 N ILE X 459 9.922 3.826 -0.384 1.00 30.41 N ATOM 483 CA ILE X 459 11.013 4.398 -1.165 1.00 14.13 C ATOM 484 C ILE X 459 11.851 5.352 -0.322 1.00 54.12 C ATOM 485 O ILE X 459 13.072 5.413 -0.467 1.00 73.32 O ATOM 486 CB ILE X 459 10.485 5.152 -2.401 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.642 5.536 -3.324 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.707 6.387 -1.976 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.315 5.395 -4.794 1.00 14.20 C ATOM 0 H ILE X 459 8.990 4.071 -0.718 1.00 30.41 H new ATOM 0 HA ILE X 459 11.635 3.566 -1.495 1.00 14.13 H new ATOM 0 HB ILE X 459 9.811 4.493 -2.949 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.930 6.567 -3.122 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.505 4.912 -3.091 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.341 6.909 -2.860 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.862 6.089 -1.355 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.359 7.050 -1.408 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.181 5.684 -5.389 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.055 4.359 -5.011 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.472 6.040 -5.043 1.00 14.20 H new ATOM 500 N GLU X 460 11.189 6.094 0.559 1.00 70.03 N ATOM 501 CA GLU X 460 11.874 7.045 1.426 1.00 55.24 C ATOM 502 C GLU X 460 12.827 6.325 2.376 1.00 12.02 C ATOM 503 O GLU X 460 14.002 6.677 2.477 1.00 12.20 O ATOM 504 CB GLU X 460 10.859 7.863 2.227 1.00 64.30 C ATOM 505 CG GLU X 460 11.491 8.737 3.298 1.00 23.33 C ATOM 506 CD GLU X 460 10.592 9.883 3.720 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.991 10.524 2.833 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.491 10.138 4.938 1.00 74.02 O ATOM 0 H GLU X 460 10.178 6.055 0.691 1.00 70.03 H new ATOM 0 HA GLU X 460 12.455 7.718 0.796 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.292 8.494 1.542 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.148 7.184 2.697 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.727 8.125 4.169 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.434 9.138 2.925 1.00 23.33 H new ATOM 513 N ALA X 461 12.311 5.316 3.070 1.00 23.10 N ATOM 514 CA ALA X 461 13.115 4.546 4.010 1.00 30.24 C ATOM 515 C ALA X 461 14.287 3.871 3.306 1.00 45.21 C ATOM 516 O ALA X 461 15.418 3.900 3.794 1.00 60.24 O ATOM 517 CB ALA X 461 12.253 3.510 4.717 1.00 43.23 C ATOM 0 H ALA X 461 11.340 5.013 2.999 1.00 23.10 H new ATOM 0 HA ALA X 461 13.519 5.234 4.753 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.867 2.942 5.416 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.453 4.012 5.261 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.821 2.833 3.981 1.00 43.23 H new ATOM 523 N LEU X 462 14.011 3.263 2.158 1.00 41.14 N ATOM 524 CA LEU X 462 15.043 2.580 1.386 1.00 32.12 C ATOM 525 C LEU X 462 16.180 3.533 1.034 1.00 23.05 C ATOM 526 O LEU X 462 17.344 3.261 1.328 1.00 51.52 O ATOM 527 CB LEU X 462 14.444 1.987 0.109 1.00 22.31 C ATOM 528 CG LEU X 462 13.786 0.614 0.251 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.839 0.354 -0.909 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.843 -0.478 0.333 1.00 72.43 C ATOM 0 H LEU X 462 13.081 3.229 1.741 1.00 41.14 H new ATOM 0 HA LEU X 462 15.447 1.774 1.999 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.702 2.685 -0.278 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.234 1.914 -0.639 1.00 22.31 H new ATOM 0 HG LEU X 462 13.208 0.603 1.175 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.380 -0.628 -0.791 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.062 1.119 -0.923 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.395 0.384 -1.846 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.357 -1.448 0.434 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.448 -0.468 -0.574 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.483 -0.301 1.198 1.00 72.43 H new ATOM 541 N GLU X 463 15.835 4.651 0.403 1.00 4.01 N ATOM 542 CA GLU X 463 16.828 5.645 0.012 1.00 14.12 C ATOM 543 C GLU X 463 17.618 6.130 1.223 1.00 33.23 C ATOM 544 O GLU X 463 18.827 6.348 1.144 1.00 3.32 O ATOM 545 CB GLU X 463 16.149 6.832 -0.677 1.00 41.55 C ATOM 546 CG GLU X 463 15.363 6.446 -1.918 1.00 22.34 C ATOM 547 CD GLU X 463 16.071 6.833 -3.201 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.309 7.000 -3.170 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.388 6.969 -4.238 1.00 1.41 O ATOM 0 H GLU X 463 14.876 4.891 0.152 1.00 4.01 H new ATOM 0 HA GLU X 463 17.520 5.175 -0.687 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.478 7.317 0.032 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.908 7.565 -0.951 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.190 5.370 -1.914 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.385 6.926 -1.888 1.00 22.34 H new ATOM 554 N LYS X 464 16.927 6.297 2.346 1.00 23.51 N ATOM 555 CA LYS X 464 17.562 6.755 3.576 1.00 44.12 C ATOM 556 C LYS X 464 18.435 5.660 4.178 1.00 71.21 C ATOM 557 O LYS X 464 19.379 5.939 4.918 1.00 34.14 O ATOM 558 CB LYS X 464 16.502 7.192 4.589 1.00 41.33 C ATOM 559 CG LYS X 464 15.774 8.466 4.197 1.00 1.43 C ATOM 560 CD LYS X 464 14.397 8.540 4.835 1.00 74.45 C ATOM 561 CE LYS X 464 14.489 8.764 6.336 1.00 13.32 C ATOM 562 NZ LYS X 464 13.226 9.325 6.893 1.00 54.43 N ATOM 0 H LYS X 464 15.926 6.122 2.429 1.00 23.51 H new ATOM 0 HA LYS X 464 18.196 7.607 3.332 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.774 6.390 4.709 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.977 7.339 5.559 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.364 9.331 4.500 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.676 8.511 3.112 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.827 9.350 4.380 1.00 74.45 H new ATOM 0 HD3 LYS X 464 13.853 7.617 4.637 1.00 74.45 H new ATOM 0 HE2 LYS X 464 14.716 7.820 6.831 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.314 9.443 6.552 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 13.330 9.463 7.919 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 13.022 10.239 6.440 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 12.443 8.666 6.710 1.00 54.43 H new ATOM 572 N THR X 465 18.116 4.410 3.855 1.00 13.11 N ATOM 573 CA THR X 465 18.872 3.271 4.363 1.00 52.11 C ATOM 574 C THR X 465 19.974 2.865 3.393 1.00 75.51 C ATOM 575 O THR X 465 20.833 2.047 3.720 1.00 65.34 O ATOM 576 CB THR X 465 17.957 2.060 4.621 1.00 42.21 C ATOM 577 OG1 THR X 465 17.216 1.745 3.436 1.00 52.14 O ATOM 578 CG2 THR X 465 16.996 2.341 5.766 1.00 61.42 C ATOM 0 H THR X 465 17.339 4.161 3.243 1.00 13.11 H new ATOM 0 HA THR X 465 19.321 3.585 5.306 1.00 52.11 H new ATOM 0 HB THR X 465 18.584 1.211 4.894 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.539 2.295 2.692 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.360 1.471 5.929 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.562 2.552 6.673 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.376 3.202 5.517 1.00 61.42 H new ATOM 586 N GLY X 466 19.944 3.443 2.195 1.00 31.45 N ATOM 587 CA GLY X 466 20.947 3.127 1.195 1.00 73.12 C ATOM 588 C GLY X 466 20.499 2.029 0.251 1.00 2.02 C ATOM 589 O GLY X 466 21.289 1.161 -0.121 1.00 72.31 O ATOM 0 H GLY X 466 19.244 4.123 1.900 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.178 4.024 0.620 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.868 2.821 1.692 1.00 73.12 H new ATOM 593 N TYR X 467 19.229 2.065 -0.135 1.00 22.12 N ATOM 594 CA TYR X 467 18.677 1.062 -1.039 1.00 42.34 C ATOM 595 C TYR X 467 18.784 -0.334 -0.433 1.00 41.45 C ATOM 596 O TYR X 467 19.241 -1.273 -1.085 1.00 0.12 O ATOM 597 CB TYR X 467 19.401 1.103 -2.385 1.00 12.11 C ATOM 598 CG TYR X 467 19.321 2.446 -3.074 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.094 3.027 -3.368 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.474 3.136 -3.431 1.00 42.12 C ATOM 601 CE1 TYR X 467 18.017 4.255 -3.998 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.407 4.364 -4.060 1.00 24.43 C ATOM 603 CZ TYR X 467 19.176 4.918 -4.342 1.00 42.32 C ATOM 604 OH TYR X 467 19.103 6.141 -4.969 1.00 45.41 O ATOM 0 H TYR X 467 18.562 2.777 0.163 1.00 22.12 H new ATOM 0 HA TYR X 467 17.623 1.291 -1.195 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.449 0.844 -2.233 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.976 0.342 -3.040 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.184 2.510 -3.100 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.439 2.704 -3.213 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.055 4.693 -4.219 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.313 4.887 -4.329 1.00 24.43 H new ATOM 0 HH TYR X 467 18.410 6.687 -4.542 1.00 45.41 H new ATOM 613 N VAL X 468 18.360 -0.463 0.820 1.00 21.22 N ATOM 614 CA VAL X 468 18.406 -1.744 1.515 1.00 11.54 C ATOM 615 C VAL X 468 17.019 -2.161 1.991 1.00 22.10 C ATOM 616 O VAL X 468 16.354 -1.427 2.721 1.00 25.15 O ATOM 617 CB VAL X 468 19.357 -1.692 2.724 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.487 -3.067 3.362 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.720 -1.159 2.308 1.00 32.52 C ATOM 0 H VAL X 468 17.981 0.304 1.375 1.00 21.22 H new ATOM 0 HA VAL X 468 18.778 -2.479 0.801 1.00 11.54 H new ATOM 0 HB VAL X 468 18.936 -1.012 3.465 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.163 -3.010 4.215 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.507 -3.406 3.698 1.00 2.22 H new ATOM 0 HG13 VAL X 468 19.884 -3.771 2.631 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.379 -1.129 3.176 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.149 -1.812 1.548 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.609 -0.154 1.902 1.00 32.52 H new ATOM 629 N LYS X 469 16.588 -3.347 1.573 1.00 2.33 N ATOM 630 CA LYS X 469 15.280 -3.865 1.957 1.00 73.34 C ATOM 631 C LYS X 469 15.235 -4.176 3.449 1.00 0.52 C ATOM 632 O LYS X 469 14.311 -3.766 4.152 1.00 43.22 O ATOM 633 CB LYS X 469 14.951 -5.124 1.152 1.00 64.33 C ATOM 634 CG LYS X 469 15.137 -4.954 -0.347 1.00 65.33 C ATOM 635 CD LYS X 469 16.248 -5.848 -0.875 1.00 74.35 C ATOM 636 CE LYS X 469 15.723 -7.226 -1.246 1.00 63.33 C ATOM 637 NZ LYS X 469 15.183 -7.259 -2.633 1.00 50.11 N ATOM 0 H LYS X 469 17.126 -3.968 0.968 1.00 2.33 H new ATOM 0 HA LYS X 469 14.536 -3.099 1.741 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.583 -5.942 1.498 1.00 64.33 H new ATOM 0 HB3 LYS X 469 13.919 -5.413 1.351 1.00 64.33 H new ATOM 0 HG2 LYS X 469 14.204 -5.190 -0.860 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.369 -3.913 -0.570 1.00 65.33 H new ATOM 0 HD2 LYS X 469 16.706 -5.384 -1.749 1.00 74.35 H new ATOM 0 HD3 LYS X 469 17.028 -5.945 -0.120 1.00 74.35 H new ATOM 0 HE2 LYS X 469 16.525 -7.958 -1.151 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.941 -7.518 -0.545 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.835 -8.215 -2.847 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 14.401 -6.579 -2.717 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 15.936 -7.006 -3.305 1.00 50.11 H new ATOM 647 N SER X 470 16.240 -4.903 3.927 1.00 71.13 N ATOM 648 CA SER X 470 16.314 -5.273 5.336 1.00 51.22 C ATOM 649 C SER X 470 16.212 -4.038 6.227 1.00 51.22 C ATOM 650 O SER X 470 15.378 -3.977 7.130 1.00 14.32 O ATOM 651 CB SER X 470 17.620 -6.016 5.623 1.00 52.44 C ATOM 652 OG SER X 470 17.944 -6.903 4.567 1.00 5.24 O ATOM 0 H SER X 470 17.014 -5.248 3.359 1.00 71.13 H new ATOM 0 HA SER X 470 15.474 -5.931 5.558 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.428 -5.298 5.760 1.00 52.44 H new ATOM 0 HB3 SER X 470 17.528 -6.573 6.555 1.00 52.44 H new ATOM 0 HG SER X 470 18.784 -7.365 4.773 1.00 5.24 H new ATOM 657 N ARG X 471 17.068 -3.055 5.964 1.00 75.24 N ATOM 658 CA ARG X 471 17.076 -1.822 6.742 1.00 11.02 C ATOM 659 C ARG X 471 15.752 -1.076 6.594 1.00 64.24 C ATOM 660 O ARG X 471 15.150 -0.659 7.583 1.00 23.30 O ATOM 661 CB ARG X 471 18.233 -0.923 6.300 1.00 3.34 C ATOM 662 CG ARG X 471 19.603 -1.540 6.523 1.00 74.42 C ATOM 663 CD ARG X 471 20.665 -0.862 5.669 1.00 11.42 C ATOM 664 NE ARG X 471 21.486 0.061 6.447 1.00 42.13 N ATOM 665 CZ ARG X 471 22.657 0.531 6.032 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.140 0.167 4.852 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.346 1.367 6.796 1.00 13.40 N ATOM 0 H ARG X 471 17.764 -3.089 5.219 1.00 75.24 H new ATOM 0 HA ARG X 471 17.209 -2.085 7.791 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.117 -0.690 5.242 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.176 0.021 6.842 1.00 3.34 H new ATOM 0 HG2 ARG X 471 19.874 -1.457 7.576 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.568 -2.603 6.285 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.303 -1.620 5.215 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.184 -0.321 4.854 1.00 11.42 H new ATOM 0 HE ARG X 471 21.142 0.361 7.359 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.612 -0.475 4.261 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.039 0.529 4.535 1.00 54.24 H new ATOM 0 HH21 ARG X 471 22.977 1.650 7.704 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.245 1.727 6.476 1.00 13.40 H new ATOM 678 N ALA X 472 15.308 -0.914 5.353 1.00 63.50 N ATOM 679 CA ALA X 472 14.055 -0.220 5.076 1.00 51.02 C ATOM 680 C ALA X 472 12.888 -0.886 5.797 1.00 14.44 C ATOM 681 O ALA X 472 11.958 -0.215 6.242 1.00 62.31 O ATOM 682 CB ALA X 472 13.796 -0.177 3.578 1.00 12.21 C ATOM 0 H ALA X 472 15.796 -1.253 4.524 1.00 63.50 H new ATOM 0 HA ALA X 472 14.144 0.801 5.448 1.00 51.02 H new ATOM 0 HB1 ALA X 472 12.858 0.344 3.386 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.612 0.350 3.083 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.733 -1.194 3.190 1.00 12.21 H new ATOM 688 N ALA X 473 12.944 -2.209 5.907 1.00 33.12 N ATOM 689 CA ALA X 473 11.891 -2.966 6.575 1.00 5.31 C ATOM 690 C ALA X 473 11.890 -2.695 8.076 1.00 1.25 C ATOM 691 O ALA X 473 10.861 -2.344 8.653 1.00 50.13 O ATOM 692 CB ALA X 473 12.058 -4.453 6.305 1.00 61.31 C ATOM 0 H ALA X 473 13.707 -2.779 5.542 1.00 33.12 H new ATOM 0 HA ALA X 473 10.932 -2.641 6.173 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.265 -5.006 6.810 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.002 -4.637 5.232 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.026 -4.784 6.680 1.00 61.31 H new ATOM 698 N LYS X 474 13.049 -2.862 8.704 1.00 62.03 N ATOM 699 CA LYS X 474 13.182 -2.636 10.138 1.00 24.40 C ATOM 700 C LYS X 474 12.922 -1.174 10.485 1.00 54.40 C ATOM 701 O LYS X 474 12.361 -0.865 11.538 1.00 74.45 O ATOM 702 CB LYS X 474 14.580 -3.043 10.611 1.00 34.32 C ATOM 703 CG LYS X 474 15.702 -2.322 9.883 1.00 3.21 C ATOM 704 CD LYS X 474 17.066 -2.819 10.331 1.00 54.32 C ATOM 705 CE LYS X 474 17.368 -4.200 9.769 1.00 20.00 C ATOM 706 NZ LYS X 474 18.402 -4.911 10.570 1.00 3.13 N ATOM 0 H LYS X 474 13.910 -3.153 8.242 1.00 62.03 H new ATOM 0 HA LYS X 474 12.439 -3.249 10.648 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.665 -2.845 11.679 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.702 -4.118 10.476 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.594 -2.470 8.809 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.626 -1.250 10.066 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.835 -2.117 10.007 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.103 -2.852 11.420 1.00 54.32 H new ATOM 0 HE2 LYS X 474 16.453 -4.792 9.750 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.709 -4.106 8.738 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.579 -5.848 10.155 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.283 -4.359 10.568 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 18.067 -5.024 11.548 1.00 3.13 H new ATOM 716 N LEU X 475 13.330 -0.277 9.593 1.00 10.44 N ATOM 717 CA LEU X 475 13.139 1.153 9.804 1.00 74.31 C ATOM 718 C LEU X 475 11.660 1.519 9.750 1.00 24.12 C ATOM 719 O LEU X 475 11.143 2.195 10.642 1.00 74.13 O ATOM 720 CB LEU X 475 13.913 1.952 8.754 1.00 52.05 C ATOM 721 CG LEU X 475 14.362 3.352 9.171 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.307 3.941 8.135 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.156 4.261 9.373 1.00 53.02 C ATOM 0 H LEU X 475 13.795 -0.515 8.717 1.00 10.44 H new ATOM 0 HA LEU X 475 13.520 1.403 10.794 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.796 1.379 8.469 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.290 2.042 7.864 1.00 52.05 H new ATOM 0 HG LEU X 475 14.897 3.274 10.118 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.616 4.938 8.449 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.185 3.303 8.039 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.798 4.005 7.173 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.494 5.254 9.670 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.594 4.332 8.442 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.516 3.848 10.152 1.00 53.02 H new ATOM 734 N LEU X 476 10.982 1.068 8.701 1.00 14.12 N ATOM 735 CA LEU X 476 9.560 1.345 8.531 1.00 2.33 C ATOM 736 C LEU X 476 8.731 0.600 9.573 1.00 41.31 C ATOM 737 O LEU X 476 7.734 1.117 10.074 1.00 65.41 O ATOM 738 CB LEU X 476 9.108 0.949 7.124 1.00 21.22 C ATOM 739 CG LEU X 476 9.612 1.832 5.983 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.658 1.048 4.682 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.735 3.066 5.835 1.00 71.10 C ATOM 0 H LEU X 476 11.394 0.508 7.955 1.00 14.12 H new ATOM 0 HA LEU X 476 9.405 2.415 8.668 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.432 -0.074 6.935 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.018 0.948 7.101 1.00 21.22 H new ATOM 0 HG LEU X 476 10.624 2.158 6.222 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.019 1.693 3.881 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.330 0.197 4.794 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.658 0.691 4.437 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.109 3.683 5.018 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.711 2.761 5.620 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.755 3.640 6.761 1.00 71.10 H new ATOM 752 N GLY X 477 9.154 -0.619 9.895 1.00 45.23 N ATOM 753 CA GLY X 477 8.440 -1.415 10.877 1.00 22.13 C ATOM 754 C GLY X 477 7.781 -2.636 10.267 1.00 61.31 C ATOM 755 O GLY X 477 6.878 -3.225 10.861 1.00 35.21 O ATOM 0 H GLY X 477 9.977 -1.069 9.494 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.133 -1.732 11.656 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.680 -0.798 11.357 1.00 22.13 H new ATOM 759 N TYR X 478 8.231 -3.016 9.076 1.00 41.35 N ATOM 760 CA TYR X 478 7.677 -4.172 8.382 1.00 51.13 C ATOM 761 C TYR X 478 8.735 -5.254 8.195 1.00 65.31 C ATOM 762 O TYR X 478 9.934 -4.989 8.280 1.00 40.51 O ATOM 763 CB TYR X 478 7.113 -3.754 7.023 1.00 71.43 C ATOM 764 CG TYR X 478 6.272 -2.499 7.076 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.359 -2.293 8.103 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.388 -1.519 6.098 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.588 -1.148 8.156 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.623 -0.370 6.143 1.00 51.13 C ATOM 769 CZ TYR X 478 4.724 -0.190 7.173 1.00 63.32 C ATOM 770 OH TYR X 478 3.958 0.953 7.221 1.00 43.33 O ATOM 0 H TYR X 478 8.978 -2.540 8.571 1.00 41.35 H new ATOM 0 HA TYR X 478 6.872 -4.579 8.993 1.00 51.13 H new ATOM 0 HB2 TYR X 478 7.939 -3.599 6.329 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.509 -4.569 6.623 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.250 -3.042 8.874 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.089 -1.658 5.288 1.00 30.21 H new ATOM 0 HE1 TYR X 478 3.883 -1.004 8.962 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.728 0.383 5.376 1.00 51.13 H new ATOM 0 HH TYR X 478 4.176 1.525 6.456 1.00 43.33 H new ATOM 779 N THR X 479 8.282 -6.478 7.939 1.00 31.11 N ATOM 780 CA THR X 479 9.187 -7.602 7.740 1.00 32.34 C ATOM 781 C THR X 479 9.605 -7.721 6.279 1.00 71.23 C ATOM 782 O THR X 479 8.990 -7.121 5.396 1.00 3.54 O ATOM 783 CB THR X 479 8.543 -8.929 8.187 1.00 31.32 C ATOM 784 OG1 THR X 479 9.448 -10.014 7.959 1.00 41.35 O ATOM 785 CG2 THR X 479 7.244 -9.179 7.435 1.00 33.32 C ATOM 0 H THR X 479 7.293 -6.715 7.865 1.00 31.11 H new ATOM 0 HA THR X 479 10.068 -7.409 8.352 1.00 32.34 H new ATOM 0 HB THR X 479 8.321 -8.860 9.252 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.032 -10.853 8.247 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.807 -10.121 7.767 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.546 -8.366 7.634 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.447 -9.230 6.365 1.00 33.32 H new ATOM 793 N LEU X 480 10.654 -8.497 6.030 1.00 51.22 N ATOM 794 CA LEU X 480 11.154 -8.694 4.673 1.00 73.24 C ATOM 795 C LEU X 480 10.023 -9.088 3.728 1.00 73.11 C ATOM 796 O LEU X 480 10.002 -8.680 2.566 1.00 12.40 O ATOM 797 CB LEU X 480 12.241 -9.769 4.661 1.00 54.35 C ATOM 798 CG LEU X 480 12.627 -10.318 3.288 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.235 -9.222 2.426 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.595 -11.484 3.431 1.00 24.30 C ATOM 0 H LEU X 480 11.175 -9.000 6.749 1.00 51.22 H new ATOM 0 HA LEU X 480 11.579 -7.752 4.328 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.135 -9.358 5.130 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.908 -10.601 5.282 1.00 54.35 H new ATOM 0 HG LEU X 480 11.724 -10.680 2.797 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.504 -9.632 1.452 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.510 -8.419 2.294 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.128 -8.829 2.913 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.858 -11.862 2.443 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.497 -11.148 3.943 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.124 -12.279 4.010 1.00 24.30 H new ATOM 811 N ARG X 481 9.084 -9.880 4.234 1.00 60.01 N ATOM 812 CA ARG X 481 7.949 -10.327 3.435 1.00 5.23 C ATOM 813 C ARG X 481 7.045 -9.153 3.071 1.00 63.40 C ATOM 814 O ARG X 481 6.703 -8.960 1.904 1.00 34.21 O ATOM 815 CB ARG X 481 7.148 -11.385 4.195 1.00 22.32 C ATOM 816 CG ARG X 481 6.361 -12.319 3.292 1.00 15.42 C ATOM 817 CD ARG X 481 5.230 -13.002 4.045 1.00 33.20 C ATOM 818 NE ARG X 481 5.710 -13.709 5.228 1.00 11.02 N ATOM 819 CZ ARG X 481 4.912 -14.163 6.188 1.00 23.35 C ATOM 820 NH1 ARG X 481 3.601 -13.985 6.104 1.00 64.23 N ATOM 821 NH2 ARG X 481 5.424 -14.799 7.234 1.00 54.34 N ATOM 0 H ARG X 481 9.086 -10.226 5.194 1.00 60.01 H new ATOM 0 HA ARG X 481 8.335 -10.765 2.515 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.830 -11.975 4.807 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.459 -10.886 4.877 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.953 -11.756 2.452 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.029 -13.073 2.876 1.00 15.42 H new ATOM 0 HD2 ARG X 481 4.491 -12.258 4.342 1.00 33.20 H new ATOM 0 HD3 ARG X 481 4.726 -13.705 3.382 1.00 33.20 H new ATOM 0 HE ARG X 481 6.714 -13.863 5.323 1.00 11.02 H new ATOM 0 HH11 ARG X 481 3.203 -13.498 5.301 1.00 64.23 H new ATOM 0 HH12 ARG X 481 2.990 -14.335 6.843 1.00 64.23 H new ATOM 0 HH21 ARG X 481 6.432 -14.940 7.302 1.00 54.34 H new ATOM 0 HH22 ARG X 481 4.810 -15.147 7.970 1.00 54.34 H new ATOM 832 N GLN X 482 6.662 -8.374 4.077 1.00 43.45 N ATOM 833 CA GLN X 482 5.796 -7.221 3.863 1.00 74.43 C ATOM 834 C GLN X 482 6.456 -6.210 2.930 1.00 15.22 C ATOM 835 O GLN X 482 5.885 -5.826 1.909 1.00 24.12 O ATOM 836 CB GLN X 482 5.456 -6.555 5.197 1.00 61.30 C ATOM 837 CG GLN X 482 4.491 -7.361 6.051 1.00 11.44 C ATOM 838 CD GLN X 482 3.256 -7.793 5.286 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.899 -8.971 5.274 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.595 -6.838 4.641 1.00 62.51 N ATOM 0 H GLN X 482 6.938 -8.520 5.048 1.00 43.45 H new ATOM 0 HA GLN X 482 4.876 -7.572 3.397 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.377 -6.393 5.758 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.024 -5.573 5.004 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.002 -8.243 6.436 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.190 -6.765 6.913 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.927 -5.874 4.678 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.756 -7.069 4.109 1.00 62.51 H new ATOM 847 N LEU X 483 7.661 -5.783 3.288 1.00 30.43 N ATOM 848 CA LEU X 483 8.401 -4.815 2.484 1.00 23.25 C ATOM 849 C LEU X 483 8.525 -5.290 1.039 1.00 43.34 C ATOM 850 O LEU X 483 8.182 -4.565 0.106 1.00 12.42 O ATOM 851 CB LEU X 483 9.792 -4.585 3.079 1.00 32.11 C ATOM 852 CG LEU X 483 10.536 -3.345 2.581 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.329 -2.180 3.537 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.020 -3.645 2.418 1.00 65.25 C ATOM 0 H LEU X 483 8.148 -6.091 4.130 1.00 30.43 H new ATOM 0 HA LEU X 483 7.850 -3.875 2.492 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.695 -4.516 4.163 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.405 -5.461 2.869 1.00 32.11 H new ATOM 0 HG LEU X 483 10.132 -3.067 1.608 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.865 -1.306 3.167 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.266 -1.951 3.606 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.707 -2.447 4.524 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.535 -2.752 2.063 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.438 -3.947 3.378 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.151 -4.451 1.696 1.00 65.25 H new ATOM 865 N ASP X 484 9.015 -6.512 0.865 1.00 4.40 N ATOM 866 CA ASP X 484 9.181 -7.086 -0.466 1.00 74.33 C ATOM 867 C ASP X 484 7.875 -7.026 -1.251 1.00 23.13 C ATOM 868 O ASP X 484 7.859 -6.653 -2.424 1.00 2.41 O ATOM 869 CB ASP X 484 9.663 -8.534 -0.364 1.00 53.22 C ATOM 870 CG ASP X 484 10.048 -9.113 -1.712 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.161 -8.333 -2.681 1.00 13.14 O ATOM 872 OD2 ASP X 484 10.232 -10.345 -1.798 1.00 12.45 O ATOM 0 H ASP X 484 9.304 -7.124 1.628 1.00 4.40 H new ATOM 0 HA ASP X 484 9.930 -6.498 -0.997 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.521 -8.582 0.307 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.877 -9.145 0.079 1.00 53.22 H new ATOM 876 N TYR X 485 6.780 -7.397 -0.596 1.00 62.24 N ATOM 877 CA TYR X 485 5.468 -7.389 -1.232 1.00 54.52 C ATOM 878 C TYR X 485 5.112 -5.991 -1.728 1.00 35.33 C ATOM 879 O TYR X 485 4.478 -5.833 -2.771 1.00 43.32 O ATOM 880 CB TYR X 485 4.401 -7.886 -0.255 1.00 42.42 C ATOM 881 CG TYR X 485 3.313 -8.705 -0.912 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.611 -9.893 -1.568 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.987 -8.290 -0.878 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.621 -10.644 -2.170 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.990 -9.036 -1.477 1.00 35.54 C ATOM 886 CZ TYR X 485 1.312 -10.212 -2.121 1.00 72.11 C ATOM 887 OH TYR X 485 0.321 -10.958 -2.720 1.00 32.54 O ATOM 0 H TYR X 485 6.775 -7.707 0.376 1.00 62.24 H new ATOM 0 HA TYR X 485 5.504 -8.060 -2.090 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.880 -8.487 0.518 1.00 42.42 H new ATOM 0 HB3 TYR X 485 3.948 -7.028 0.243 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.635 -10.235 -1.608 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.732 -7.369 -0.375 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.870 -11.565 -2.677 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.036 -8.700 -1.441 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.544 -10.515 -2.593 1.00 32.54 H new ATOM 896 N ARG X 486 5.524 -4.980 -0.970 1.00 30.20 N ATOM 897 CA ARG X 486 5.247 -3.595 -1.330 1.00 23.23 C ATOM 898 C ARG X 486 6.125 -3.149 -2.496 1.00 23.24 C ATOM 899 O ARG X 486 5.695 -2.375 -3.350 1.00 73.10 O ATOM 900 CB ARG X 486 5.475 -2.677 -0.126 1.00 32.34 C ATOM 901 CG ARG X 486 4.222 -2.429 0.696 1.00 43.42 C ATOM 902 CD ARG X 486 3.946 -3.579 1.654 1.00 11.40 C ATOM 903 NE ARG X 486 2.555 -3.600 2.096 1.00 15.11 N ATOM 904 CZ ARG X 486 2.064 -2.782 3.021 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.850 -1.883 3.597 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.788 -2.863 3.371 1.00 1.14 N ATOM 0 H ARG X 486 6.050 -5.094 -0.104 1.00 30.20 H new ATOM 0 HA ARG X 486 4.203 -3.528 -1.637 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.239 -3.116 0.515 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.864 -1.721 -0.477 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.333 -1.503 1.260 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.369 -2.296 0.030 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.186 -4.523 1.165 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.601 -3.494 2.521 1.00 11.40 H new ATOM 0 HE ARG X 486 1.925 -4.280 1.671 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.832 -1.819 3.330 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.472 -1.255 4.307 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.181 -3.554 2.930 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.413 -2.234 4.081 1.00 1.14 H new ATOM 917 N ILE X 487 7.359 -3.644 -2.522 1.00 12.05 N ATOM 918 CA ILE X 487 8.298 -3.298 -3.582 1.00 10.12 C ATOM 919 C ILE X 487 7.826 -3.834 -4.929 1.00 62.30 C ATOM 920 O ILE X 487 7.932 -3.157 -5.952 1.00 15.43 O ATOM 921 CB ILE X 487 9.707 -3.846 -3.288 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.267 -3.213 -2.013 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.632 -3.587 -4.467 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.288 -1.700 -2.049 1.00 35.13 C ATOM 0 H ILE X 487 7.731 -4.285 -1.821 1.00 12.05 H new ATOM 0 HA ILE X 487 8.343 -2.210 -3.622 1.00 10.12 H new ATOM 0 HB ILE X 487 9.639 -4.923 -3.136 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.670 -3.540 -1.162 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.281 -3.579 -1.850 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.624 -3.980 -4.244 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.237 -4.081 -5.355 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.699 -2.514 -4.648 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.697 -1.319 -1.113 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.909 -1.364 -2.880 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.273 -1.325 -2.180 1.00 35.13 H new ATOM 935 N LYS X 488 7.304 -5.057 -4.924 1.00 1.41 N ATOM 936 CA LYS X 488 6.813 -5.685 -6.145 1.00 43.53 C ATOM 937 C LYS X 488 5.507 -5.044 -6.598 1.00 53.44 C ATOM 938 O LYS X 488 5.316 -4.771 -7.783 1.00 72.22 O ATOM 939 CB LYS X 488 6.609 -7.185 -5.923 1.00 2.51 C ATOM 940 CG LYS X 488 5.682 -7.509 -4.764 1.00 3.34 C ATOM 941 CD LYS X 488 5.581 -9.007 -4.531 1.00 3.43 C ATOM 942 CE LYS X 488 4.919 -9.711 -5.706 1.00 41.43 C ATOM 943 NZ LYS X 488 3.487 -9.328 -5.846 1.00 22.33 N ATOM 0 H LYS X 488 7.210 -5.633 -4.087 1.00 1.41 H new ATOM 0 HA LYS X 488 7.559 -5.538 -6.926 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.206 -7.627 -6.834 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.577 -7.652 -5.744 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.047 -7.023 -3.859 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.690 -7.104 -4.966 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.577 -9.420 -4.373 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.009 -9.197 -3.623 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.452 -9.465 -6.624 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.995 -10.790 -5.573 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.020 -9.970 -6.518 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.018 -9.395 -4.920 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.422 -8.351 -6.198 1.00 22.33 H new ATOM 953 N LYS X 489 4.608 -4.806 -5.648 1.00 24.34 N ATOM 954 CA LYS X 489 3.319 -4.195 -5.949 1.00 21.32 C ATOM 955 C LYS X 489 3.497 -2.754 -6.418 1.00 63.33 C ATOM 956 O LYS X 489 2.883 -2.329 -7.397 1.00 53.33 O ATOM 957 CB LYS X 489 2.414 -4.233 -4.717 1.00 54.52 C ATOM 958 CG LYS X 489 1.310 -5.274 -4.807 1.00 54.51 C ATOM 959 CD LYS X 489 1.407 -6.288 -3.679 1.00 14.12 C ATOM 960 CE LYS X 489 0.813 -5.746 -2.388 1.00 62.31 C ATOM 961 NZ LYS X 489 1.854 -5.148 -1.507 1.00 3.10 N ATOM 0 H LYS X 489 4.749 -5.027 -4.662 1.00 24.34 H new ATOM 0 HA LYS X 489 2.853 -4.765 -6.752 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.022 -4.435 -3.835 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.965 -3.250 -4.576 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.339 -4.780 -4.771 1.00 54.51 H new ATOM 0 HG3 LYS X 489 1.371 -5.788 -5.766 1.00 54.51 H new ATOM 0 HD2 LYS X 489 0.886 -7.202 -3.965 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.452 -6.554 -3.516 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.060 -4.994 -2.622 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.305 -6.550 -1.856 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 1.409 -4.790 -0.638 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.559 -5.872 -1.262 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 2.321 -4.364 -2.005 1.00 3.10 H new ATOM 971 N TYR X 490 4.340 -2.007 -5.713 1.00 63.10 N ATOM 972 CA TYR X 490 4.597 -0.614 -6.057 1.00 65.13 C ATOM 973 C TYR X 490 5.690 -0.506 -7.115 1.00 43.30 C ATOM 974 O TYR X 490 6.008 0.585 -7.587 1.00 45.35 O ATOM 975 CB TYR X 490 5.000 0.174 -4.809 1.00 31.24 C ATOM 976 CG TYR X 490 3.898 0.283 -3.780 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.645 0.780 -4.123 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.108 -0.110 -2.464 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.636 0.881 -3.186 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.103 -0.013 -1.520 1.00 30.22 C ATOM 981 CZ TYR X 490 1.870 0.483 -1.887 1.00 51.31 C ATOM 982 OH TYR X 490 0.866 0.582 -0.949 1.00 54.23 O ATOM 0 H TYR X 490 4.857 -2.343 -4.900 1.00 63.10 H new ATOM 0 HA TYR X 490 3.679 -0.192 -6.466 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.866 -0.304 -4.352 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.309 1.176 -5.106 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.458 1.092 -5.140 1.00 32.02 H new ATOM 0 HD2 TYR X 490 5.073 -0.498 -2.174 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.669 1.270 -3.469 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.282 -0.324 -0.501 1.00 30.22 H new ATOM 0 HH TYR X 490 0.666 -0.307 -0.588 1.00 54.23 H new ATOM 991 N GLY X 491 6.265 -1.649 -7.482 1.00 12.33 N ATOM 992 CA GLY X 491 7.316 -1.662 -8.482 1.00 73.13 C ATOM 993 C GLY X 491 8.417 -0.666 -8.179 1.00 70.25 C ATOM 994 O GLY X 491 8.892 0.036 -9.072 1.00 25.21 O ATOM 0 H GLY X 491 6.021 -2.565 -7.104 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.743 -2.663 -8.543 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.887 -1.438 -9.459 1.00 73.13 H new ATOM 998 N ILE X 492 8.824 -0.603 -6.915 1.00 33.34 N ATOM 999 CA ILE X 492 9.876 0.315 -6.497 1.00 12.35 C ATOM 1000 C ILE X 492 11.253 -0.210 -6.890 1.00 73.33 C ATOM 1001 O ILE X 492 11.458 -1.419 -7.006 1.00 45.43 O ATOM 1002 CB ILE X 492 9.846 0.551 -4.976 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.407 0.764 -4.500 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.713 1.745 -4.607 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.291 0.994 -3.009 1.00 21.21 C ATOM 0 H ILE X 492 8.441 -1.177 -6.163 1.00 33.34 H new ATOM 0 HA ILE X 492 9.690 1.260 -7.008 1.00 12.35 H new ATOM 0 HB ILE X 492 10.248 -0.332 -4.479 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.982 1.619 -5.025 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.810 -0.106 -4.773 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.681 1.898 -3.528 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.741 1.558 -4.916 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.339 2.636 -5.111 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.244 1.137 -2.743 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.686 0.129 -2.476 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.860 1.882 -2.732 1.00 21.21 H new ATOM 1016 N GLU X 493 12.195 0.706 -7.093 1.00 41.10 N ATOM 1017 CA GLU X 493 13.552 0.334 -7.473 1.00 52.04 C ATOM 1018 C GLU X 493 14.494 0.417 -6.275 1.00 43.33 C ATOM 1019 O GLU X 493 14.145 0.977 -5.235 1.00 63.45 O ATOM 1020 CB GLU X 493 14.058 1.240 -8.598 1.00 63.11 C ATOM 1021 CG GLU X 493 14.431 2.638 -8.132 1.00 11.52 C ATOM 1022 CD GLU X 493 14.391 3.657 -9.254 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.279 4.069 -9.643 1.00 62.13 O ATOM 1024 OE2 GLU X 493 15.474 4.042 -9.743 1.00 70.23 O ATOM 0 H GLU X 493 12.043 1.710 -7.001 1.00 41.10 H new ATOM 0 HA GLU X 493 13.533 -0.696 -7.828 1.00 52.04 H new ATOM 0 HB2 GLU X 493 14.928 0.777 -9.063 1.00 63.11 H new ATOM 0 HB3 GLU X 493 13.289 1.315 -9.366 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.748 2.947 -7.341 1.00 11.52 H new ATOM 0 HG3 GLU X 493 15.431 2.618 -7.700 1.00 11.52 H new