USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 301 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 455 LYS NZ :NH3+ 160:sc= -0.0142 (180deg=-0.252) 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 17:sc= 0.396 USER MOD Single : X 467 TYR OH : rot 40:sc= 1.23 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 470 SER OG : rot 90:sc= -0.493 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= -0.341 USER MOD Single : X 482 GLN : amide:sc= -0.429 K(o=-0.43,f=-0.96) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -139:sc= -0.192 (180deg=-0.632) USER MOD Single : X 489 LYS NZ :NH3+ -178:sc= 0.143 (180deg=0.138) USER MOD Single : X 490 TYR OH : rot 157:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 1.995 5.250 1.162 1.00 61.44 N ATOM 395 CA GLU X 454 2.629 3.964 1.426 1.00 4.33 C ATOM 396 C GLU X 454 3.877 3.786 0.566 1.00 54.22 C ATOM 397 O GLU X 454 4.947 3.444 1.069 1.00 33.03 O ATOM 398 CB GLU X 454 1.646 2.822 1.159 1.00 4.25 C ATOM 399 CG GLU X 454 2.061 1.503 1.788 1.00 54.45 C ATOM 400 CD GLU X 454 0.883 0.725 2.343 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.449 1.030 3.473 1.00 25.31 O ATOM 402 OE2 GLU X 454 0.396 -0.190 1.646 1.00 32.21 O ATOM 0 HA GLU X 454 2.925 3.942 2.475 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.664 3.103 1.539 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.544 2.685 0.082 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.575 0.895 1.043 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.775 1.695 2.589 1.00 54.45 H new ATOM 407 N LYS X 455 3.731 4.019 -0.734 1.00 25.33 N ATOM 408 CA LYS X 455 4.845 3.885 -1.665 1.00 0.54 C ATOM 409 C LYS X 455 5.968 4.856 -1.313 1.00 62.42 C ATOM 410 O LYS X 455 7.142 4.485 -1.301 1.00 21.12 O ATOM 411 CB LYS X 455 4.371 4.136 -3.098 1.00 34.23 C ATOM 412 CG LYS X 455 5.493 4.117 -4.123 1.00 13.52 C ATOM 413 CD LYS X 455 5.758 5.503 -4.684 1.00 51.32 C ATOM 414 CE LYS X 455 6.990 6.134 -4.053 1.00 3.43 C ATOM 415 NZ LYS X 455 7.863 6.784 -5.069 1.00 10.05 N ATOM 0 H LYS X 455 2.852 4.302 -1.167 1.00 25.33 H new ATOM 0 HA LYS X 455 5.230 2.868 -1.588 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.633 3.379 -3.365 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.867 5.102 -3.141 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.402 3.730 -3.662 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.234 3.438 -4.935 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.893 5.440 -5.764 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.891 6.140 -4.508 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.681 6.873 -3.314 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.558 5.370 -3.522 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.486 7.473 -4.602 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.441 6.061 -5.544 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.273 7.272 -5.773 1.00 10.05 H new ATOM 425 N LYS X 456 5.601 6.100 -1.025 1.00 23.55 N ATOM 426 CA LYS X 456 6.577 7.123 -0.670 1.00 51.54 C ATOM 427 C LYS X 456 7.303 6.758 0.621 1.00 23.14 C ATOM 428 O LYS X 456 8.487 7.054 0.784 1.00 54.11 O ATOM 429 CB LYS X 456 5.888 8.481 -0.513 1.00 65.35 C ATOM 430 CG LYS X 456 5.633 9.189 -1.831 1.00 12.34 C ATOM 431 CD LYS X 456 5.250 10.644 -1.619 1.00 41.13 C ATOM 432 CE LYS X 456 3.857 10.773 -1.023 1.00 35.30 C ATOM 433 NZ LYS X 456 3.463 12.197 -0.835 1.00 61.51 N ATOM 0 H LYS X 456 4.634 6.424 -1.031 1.00 23.55 H new ATOM 0 HA LYS X 456 7.311 7.184 -1.474 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.939 8.340 0.004 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.503 9.120 0.120 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.526 9.134 -2.453 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.837 8.677 -2.371 1.00 12.34 H new ATOM 0 HD2 LYS X 456 5.975 11.119 -0.958 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.290 11.174 -2.571 1.00 41.13 H new ATOM 0 HE2 LYS X 456 3.136 10.280 -1.675 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.824 10.257 -0.063 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 2.508 12.242 -0.427 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.136 12.662 -0.193 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.470 12.683 -1.754 1.00 61.51 H new ATOM 443 N ARG X 457 6.586 6.111 1.535 1.00 71.11 N ATOM 444 CA ARG X 457 7.163 5.704 2.811 1.00 35.12 C ATOM 445 C ARG X 457 8.224 4.626 2.609 1.00 55.14 C ATOM 446 O ARG X 457 9.346 4.746 3.102 1.00 20.31 O ATOM 447 CB ARG X 457 6.069 5.189 3.749 1.00 21.50 C ATOM 448 CG ARG X 457 5.418 6.281 4.582 1.00 50.23 C ATOM 449 CD ARG X 457 6.416 6.931 5.527 1.00 12.04 C ATOM 450 NE ARG X 457 5.759 7.575 6.660 1.00 20.01 N ATOM 451 CZ ARG X 457 6.411 8.226 7.616 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.733 8.319 7.576 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.741 8.786 8.616 1.00 51.31 N ATOM 0 H ARG X 457 5.605 5.858 1.416 1.00 71.11 H new ATOM 0 HA ARG X 457 7.637 6.576 3.261 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.302 4.688 3.158 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.497 4.441 4.416 1.00 21.50 H new ATOM 0 HG2 ARG X 457 4.993 7.038 3.923 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.593 5.859 5.156 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.112 6.177 5.893 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.004 7.669 4.981 1.00 12.04 H new ATOM 0 HE ARG X 457 4.742 7.522 6.721 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.251 7.890 6.810 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.232 8.820 8.312 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.724 8.716 8.651 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.243 9.286 9.350 1.00 51.31 H new ATOM 464 N ILE X 458 7.861 3.575 1.883 1.00 20.05 N ATOM 465 CA ILE X 458 8.781 2.477 1.616 1.00 63.42 C ATOM 466 C ILE X 458 10.029 2.968 0.891 1.00 45.00 C ATOM 467 O ILE X 458 11.153 2.714 1.324 1.00 10.42 O ATOM 468 CB ILE X 458 8.113 1.374 0.775 1.00 44.32 C ATOM 469 CG1 ILE X 458 6.864 0.846 1.485 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.095 0.242 0.508 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.169 0.086 2.757 1.00 74.53 C ATOM 0 H ILE X 458 6.936 3.460 1.469 1.00 20.05 H new ATOM 0 HA ILE X 458 9.066 2.063 2.583 1.00 63.42 H new ATOM 0 HB ILE X 458 7.812 1.801 -0.182 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.208 1.684 1.720 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.317 0.194 0.804 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.607 -0.530 -0.088 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.957 0.629 -0.035 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.424 -0.185 1.455 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.238 -0.259 3.207 1.00 74.53 H new ATOM 0 HD12 ILE X 458 7.800 -0.772 2.526 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.689 0.741 3.456 1.00 74.53 H new ATOM 482 N ILE X 459 9.823 3.676 -0.215 1.00 30.41 N ATOM 483 CA ILE X 459 10.931 4.207 -0.999 1.00 14.13 C ATOM 484 C ILE X 459 11.777 5.170 -0.173 1.00 54.12 C ATOM 485 O ILE X 459 13.001 5.202 -0.301 1.00 73.32 O ATOM 486 CB ILE X 459 10.430 4.934 -2.261 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.607 5.286 -3.174 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.656 6.187 -1.879 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.274 5.203 -4.647 1.00 14.20 C ATOM 0 H ILE X 459 8.899 3.895 -0.588 1.00 30.41 H new ATOM 0 HA ILE X 459 11.542 3.356 -1.299 1.00 14.13 H new ATOM 0 HB ILE X 459 9.759 4.268 -2.804 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.947 6.296 -2.943 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.437 4.613 -2.959 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.309 6.689 -2.782 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.799 5.912 -1.264 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.305 6.858 -1.317 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.154 5.465 -5.234 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.963 4.188 -4.893 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.465 5.896 -4.877 1.00 14.20 H new ATOM 500 N GLU X 460 11.116 5.952 0.675 1.00 70.03 N ATOM 501 CA GLU X 460 11.809 6.915 1.523 1.00 55.24 C ATOM 502 C GLU X 460 12.783 6.210 2.463 1.00 12.02 C ATOM 503 O GLU X 460 13.955 6.575 2.546 1.00 12.20 O ATOM 504 CB GLU X 460 10.801 7.732 2.333 1.00 64.30 C ATOM 505 CG GLU X 460 11.441 8.597 3.406 1.00 23.33 C ATOM 506 CD GLU X 460 10.535 9.722 3.866 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.403 10.719 3.124 1.00 44.32 O ATOM 508 OE2 GLU X 460 9.956 9.606 4.966 1.00 74.02 O ATOM 0 H GLU X 460 10.103 5.938 0.793 1.00 70.03 H new ATOM 0 HA GLU X 460 12.376 7.587 0.879 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.234 8.369 1.655 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.089 7.053 2.802 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.703 7.974 4.261 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.370 9.018 3.022 1.00 23.33 H new ATOM 513 N ALA X 461 12.287 5.201 3.170 1.00 23.10 N ATOM 514 CA ALA X 461 13.112 4.443 4.104 1.00 30.24 C ATOM 515 C ALA X 461 14.278 3.771 3.386 1.00 45.21 C ATOM 516 O ALA X 461 15.408 3.777 3.875 1.00 60.24 O ATOM 517 CB ALA X 461 12.270 3.407 4.832 1.00 43.23 C ATOM 0 H ALA X 461 11.318 4.889 3.114 1.00 23.10 H new ATOM 0 HA ALA X 461 13.522 5.139 4.835 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.899 2.849 5.526 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.475 3.908 5.385 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.831 2.721 4.108 1.00 43.23 H new ATOM 523 N LEU X 462 13.996 3.192 2.225 1.00 41.14 N ATOM 524 CA LEU X 462 15.021 2.514 1.439 1.00 32.12 C ATOM 525 C LEU X 462 16.160 3.468 1.091 1.00 23.05 C ATOM 526 O LEU X 462 17.324 3.188 1.374 1.00 51.52 O ATOM 527 CB LEU X 462 14.412 1.939 0.158 1.00 22.31 C ATOM 528 CG LEU X 462 13.759 0.562 0.286 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.845 0.294 -0.899 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.820 -0.523 0.399 1.00 72.43 C ATOM 0 H LEU X 462 13.066 3.178 1.806 1.00 41.14 H new ATOM 0 HA LEU X 462 15.425 1.699 2.039 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.665 2.641 -0.212 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.195 1.879 -0.598 1.00 22.31 H new ATOM 0 HG LEU X 462 13.157 0.549 1.194 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.389 -0.690 -0.791 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.064 1.054 -0.936 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.426 0.326 -1.821 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.337 -1.496 0.489 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.449 -0.511 -0.491 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.435 -0.340 1.280 1.00 72.43 H new ATOM 541 N GLU X 463 15.813 4.595 0.475 1.00 4.01 N ATOM 542 CA GLU X 463 16.808 5.589 0.091 1.00 14.12 C ATOM 543 C GLU X 463 17.572 6.095 1.310 1.00 33.23 C ATOM 544 O GLU X 463 18.774 6.355 1.240 1.00 3.32 O ATOM 545 CB GLU X 463 16.136 6.763 -0.626 1.00 41.55 C ATOM 546 CG GLU X 463 15.242 6.340 -1.780 1.00 22.34 C ATOM 547 CD GLU X 463 15.762 6.815 -3.124 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.997 6.905 -3.285 1.00 21.41 O ATOM 549 OE2 GLU X 463 14.932 7.095 -4.014 1.00 1.41 O ATOM 0 H GLU X 463 14.853 4.841 0.232 1.00 4.01 H new ATOM 0 HA GLU X 463 17.516 5.113 -0.587 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.543 7.326 0.094 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.906 7.437 -1.002 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.158 5.253 -1.790 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.239 6.736 -1.622 1.00 22.34 H new ATOM 554 N LYS X 464 16.867 6.232 2.428 1.00 23.51 N ATOM 555 CA LYS X 464 17.478 6.705 3.664 1.00 44.12 C ATOM 556 C LYS X 464 18.357 5.624 4.286 1.00 71.21 C ATOM 557 O LYS X 464 19.273 5.919 5.055 1.00 34.14 O ATOM 558 CB LYS X 464 16.397 7.134 4.660 1.00 41.33 C ATOM 559 CG LYS X 464 15.864 8.534 4.412 1.00 1.43 C ATOM 560 CD LYS X 464 14.444 8.689 4.931 1.00 74.45 C ATOM 561 CE LYS X 464 14.401 8.675 6.451 1.00 13.32 C ATOM 562 NZ LYS X 464 14.591 10.036 7.024 1.00 54.43 N ATOM 0 H LYS X 464 15.872 6.022 2.503 1.00 23.51 H new ATOM 0 HA LYS X 464 18.105 7.564 3.424 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.570 6.426 4.613 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.804 7.083 5.670 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.512 9.263 4.899 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.888 8.750 3.344 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.021 9.624 4.563 1.00 74.45 H new ATOM 0 HD3 LYS X 464 13.823 7.883 4.541 1.00 74.45 H new ATOM 0 HE2 LYS X 464 13.445 8.271 6.783 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.177 8.010 6.830 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.555 9.984 8.062 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 15.515 10.412 6.728 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.836 10.665 6.683 1.00 54.43 H new ATOM 572 N THR X 465 18.072 4.370 3.949 1.00 13.11 N ATOM 573 CA THR X 465 18.836 3.245 4.473 1.00 52.11 C ATOM 574 C THR X 465 19.973 2.865 3.531 1.00 75.51 C ATOM 575 O THR X 465 20.897 2.150 3.914 1.00 65.34 O ATOM 576 CB THR X 465 17.939 2.014 4.700 1.00 42.21 C ATOM 577 OG1 THR X 465 17.159 1.753 3.528 1.00 52.14 O ATOM 578 CG2 THR X 465 17.017 2.229 5.891 1.00 61.42 C ATOM 0 H THR X 465 17.317 4.108 3.315 1.00 13.11 H new ATOM 0 HA THR X 465 19.252 3.564 5.429 1.00 52.11 H new ATOM 0 HB THR X 465 18.581 1.158 4.907 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.545 2.232 2.765 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.393 1.347 6.032 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.614 2.398 6.787 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.383 3.096 5.708 1.00 61.42 H new ATOM 586 N GLY X 466 19.897 3.349 2.294 1.00 31.45 N ATOM 587 CA GLY X 466 20.927 3.049 1.316 1.00 73.12 C ATOM 588 C GLY X 466 20.504 1.966 0.343 1.00 2.02 C ATOM 589 O GLY X 466 21.308 1.116 -0.037 1.00 72.31 O ATOM 0 H GLY X 466 19.141 3.943 1.952 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.173 3.955 0.762 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.834 2.735 1.833 1.00 73.12 H new ATOM 593 N TYR X 467 19.238 1.997 -0.061 1.00 22.12 N ATOM 594 CA TYR X 467 18.709 1.008 -0.992 1.00 42.34 C ATOM 595 C TYR X 467 18.830 -0.400 -0.418 1.00 41.45 C ATOM 596 O TYR X 467 19.025 -1.368 -1.154 1.00 0.12 O ATOM 597 CB TYR X 467 19.447 1.091 -2.329 1.00 12.11 C ATOM 598 CG TYR X 467 19.342 2.445 -2.995 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.105 2.994 -3.306 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.482 3.173 -3.314 1.00 42.12 C ATOM 601 CE1 TYR X 467 18.006 4.230 -3.916 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.392 4.410 -3.923 1.00 24.43 C ATOM 603 CZ TYR X 467 19.152 4.934 -4.222 1.00 42.32 C ATOM 604 OH TYR X 467 19.056 6.166 -4.827 1.00 45.41 O ATOM 0 H TYR X 467 18.560 2.696 0.242 1.00 22.12 H new ATOM 0 HA TYR X 467 17.653 1.225 -1.153 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.499 0.854 -2.169 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.048 0.332 -3.002 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.206 2.446 -3.067 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.455 2.765 -3.082 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.036 4.643 -4.152 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.288 4.963 -4.163 1.00 24.43 H new ATOM 0 HH TYR X 467 18.314 6.668 -4.430 1.00 45.41 H new ATOM 613 N VAL X 468 18.710 -0.507 0.902 1.00 21.22 N ATOM 614 CA VAL X 468 18.803 -1.796 1.576 1.00 11.54 C ATOM 615 C VAL X 468 17.434 -2.268 2.051 1.00 22.10 C ATOM 616 O VAL X 468 16.729 -1.550 2.761 1.00 25.15 O ATOM 617 CB VAL X 468 19.758 -1.730 2.782 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.918 -3.105 3.413 1.00 2.22 C ATOM 619 CG2 VAL X 468 21.108 -1.167 2.363 1.00 32.52 C ATOM 0 H VAL X 468 18.548 0.284 1.525 1.00 21.22 H new ATOM 0 HA VAL X 468 19.196 -2.506 0.849 1.00 11.54 H new ATOM 0 HB VAL X 468 19.327 -1.062 3.528 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.596 -3.038 4.264 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.946 -3.465 3.751 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.326 -3.798 2.677 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.770 -1.128 3.228 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.548 -1.807 1.598 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.975 -0.162 1.962 1.00 32.52 H new ATOM 629 N LYS X 469 17.062 -3.481 1.656 1.00 2.33 N ATOM 630 CA LYS X 469 15.777 -4.052 2.041 1.00 73.34 C ATOM 631 C LYS X 469 15.749 -4.368 3.534 1.00 0.52 C ATOM 632 O LYS X 469 14.783 -4.050 4.227 1.00 43.22 O ATOM 633 CB LYS X 469 15.497 -5.322 1.235 1.00 64.33 C ATOM 634 CG LYS X 469 16.588 -6.371 1.355 1.00 65.33 C ATOM 635 CD LYS X 469 16.719 -7.188 0.079 1.00 74.35 C ATOM 636 CE LYS X 469 15.669 -8.286 0.010 1.00 63.33 C ATOM 637 NZ LYS X 469 15.923 -9.226 -1.115 1.00 50.11 N ATOM 0 H LYS X 469 17.633 -4.088 1.069 1.00 2.33 H new ATOM 0 HA LYS X 469 15.002 -3.316 1.827 1.00 73.34 H new ATOM 0 HB2 LYS X 469 14.552 -5.753 1.568 1.00 64.33 H new ATOM 0 HB3 LYS X 469 15.374 -5.056 0.185 1.00 64.33 H new ATOM 0 HG2 LYS X 469 17.538 -5.885 1.576 1.00 65.33 H new ATOM 0 HG3 LYS X 469 16.366 -7.034 2.191 1.00 65.33 H new ATOM 0 HD2 LYS X 469 16.619 -6.532 -0.786 1.00 74.35 H new ATOM 0 HD3 LYS X 469 17.714 -7.631 0.030 1.00 74.35 H new ATOM 0 HE2 LYS X 469 15.659 -8.838 0.950 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.682 -7.838 -0.107 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 15.186 -9.959 -1.128 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 15.907 -8.704 -2.014 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 16.854 -9.673 -0.990 1.00 50.11 H new ATOM 647 N SER X 470 16.815 -4.996 4.021 1.00 71.13 N ATOM 648 CA SER X 470 16.910 -5.357 5.431 1.00 51.22 C ATOM 649 C SER X 470 16.765 -4.125 6.319 1.00 51.22 C ATOM 650 O SER X 470 15.929 -4.092 7.222 1.00 14.32 O ATOM 651 CB SER X 470 18.246 -6.048 5.713 1.00 52.44 C ATOM 652 OG SER X 470 19.332 -5.167 5.492 1.00 5.24 O ATOM 0 H SER X 470 17.624 -5.265 3.461 1.00 71.13 H new ATOM 0 HA SER X 470 16.097 -6.046 5.660 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.265 -6.403 6.744 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.348 -6.924 5.073 1.00 52.44 H new ATOM 0 HG SER X 470 19.538 -4.687 6.321 1.00 5.24 H new ATOM 657 N ARG X 471 17.587 -3.114 6.056 1.00 75.24 N ATOM 658 CA ARG X 471 17.553 -1.880 6.831 1.00 11.02 C ATOM 659 C ARG X 471 16.209 -1.175 6.670 1.00 64.24 C ATOM 660 O ARG X 471 15.635 -0.682 7.641 1.00 23.30 O ATOM 661 CB ARG X 471 18.685 -0.947 6.396 1.00 3.34 C ATOM 662 CG ARG X 471 20.071 -1.489 6.703 1.00 74.42 C ATOM 663 CD ARG X 471 21.141 -0.778 5.889 1.00 11.42 C ATOM 664 NE ARG X 471 22.424 -0.740 6.584 1.00 42.13 N ATOM 665 CZ ARG X 471 22.675 0.055 7.619 1.00 73.44 C ATOM 666 NH1 ARG X 471 21.736 0.872 8.075 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.868 0.033 8.199 1.00 13.40 N ATOM 0 H ARG X 471 18.285 -3.126 5.312 1.00 75.24 H new ATOM 0 HA ARG X 471 17.687 -2.137 7.882 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.604 -0.766 5.324 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.562 0.016 6.892 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.282 -1.370 7.766 1.00 74.42 H new ATOM 0 HG3 ARG X 471 20.100 -2.558 6.490 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.263 -1.283 4.931 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.816 0.240 5.673 1.00 11.42 H new ATOM 0 HE ARG X 471 23.168 -1.357 6.258 1.00 42.13 H new ATOM 0 HH11 ARG X 471 20.818 0.892 7.631 1.00 54.24 H new ATOM 0 HH12 ARG X 471 21.932 1.481 8.870 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.593 -0.594 7.851 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.060 0.643 8.993 1.00 13.40 H new ATOM 678 N ALA X 472 15.713 -1.130 5.438 1.00 63.50 N ATOM 679 CA ALA X 472 14.437 -0.487 5.149 1.00 51.02 C ATOM 680 C ALA X 472 13.295 -1.178 5.886 1.00 14.44 C ATOM 681 O ALA X 472 12.372 -0.526 6.372 1.00 62.31 O ATOM 682 CB ALA X 472 14.174 -0.482 3.651 1.00 12.21 C ATOM 0 H ALA X 472 16.176 -1.532 4.623 1.00 63.50 H new ATOM 0 HA ALA X 472 14.491 0.544 5.500 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.218 0.001 3.451 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.970 0.064 3.144 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.146 -1.508 3.283 1.00 12.21 H new ATOM 688 N ALA X 473 13.365 -2.503 5.965 1.00 33.12 N ATOM 689 CA ALA X 473 12.337 -3.283 6.643 1.00 5.31 C ATOM 690 C ALA X 473 12.327 -2.994 8.140 1.00 1.25 C ATOM 691 O ALA X 473 11.289 -2.658 8.712 1.00 50.13 O ATOM 692 CB ALA X 473 12.550 -4.769 6.392 1.00 61.31 C ATOM 0 H ALA X 473 14.123 -3.058 5.568 1.00 33.12 H new ATOM 0 HA ALA X 473 11.368 -2.992 6.237 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.775 -5.339 6.904 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.499 -4.968 5.322 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.528 -5.065 6.770 1.00 61.31 H new ATOM 698 N LYS X 474 13.489 -3.126 8.771 1.00 62.03 N ATOM 699 CA LYS X 474 13.615 -2.878 10.203 1.00 24.40 C ATOM 700 C LYS X 474 13.240 -1.438 10.541 1.00 54.40 C ATOM 701 O LYS X 474 12.675 -1.166 11.601 1.00 74.45 O ATOM 702 CB LYS X 474 15.045 -3.166 10.667 1.00 34.32 C ATOM 703 CG LYS X 474 16.091 -2.302 9.985 1.00 3.21 C ATOM 704 CD LYS X 474 17.481 -2.568 10.539 1.00 54.32 C ATOM 705 CE LYS X 474 17.752 -1.740 11.786 1.00 20.00 C ATOM 706 NZ LYS X 474 19.209 -1.520 12.000 1.00 3.13 N ATOM 0 H LYS X 474 14.357 -3.403 8.313 1.00 62.03 H new ATOM 0 HA LYS X 474 12.929 -3.546 10.724 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.106 -3.013 11.745 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.274 -4.215 10.480 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.082 -2.497 8.913 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.840 -1.250 10.120 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.583 -3.627 10.775 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.227 -2.337 9.779 1.00 54.32 H new ATOM 0 HE2 LYS X 474 17.248 -0.777 11.699 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.329 -2.244 12.655 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.352 -0.952 12.859 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.686 -2.438 12.108 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 19.608 -1.017 11.182 1.00 3.13 H new ATOM 716 N LEU X 475 13.557 -0.521 9.634 1.00 10.44 N ATOM 717 CA LEU X 475 13.252 0.892 9.836 1.00 74.31 C ATOM 718 C LEU X 475 11.753 1.147 9.718 1.00 24.12 C ATOM 719 O LEU X 475 11.150 1.783 10.583 1.00 74.13 O ATOM 720 CB LEU X 475 14.008 1.747 8.818 1.00 52.05 C ATOM 721 CG LEU X 475 14.331 3.177 9.251 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.450 3.754 8.399 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.089 4.053 9.169 1.00 53.02 C ATOM 0 H LEU X 475 14.025 -0.730 8.752 1.00 10.44 H new ATOM 0 HA LEU X 475 13.571 1.168 10.841 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.943 1.243 8.573 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.420 1.790 7.901 1.00 52.05 H new ATOM 0 HG LEU X 475 14.667 3.154 10.288 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.665 4.772 8.722 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.345 3.141 8.510 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.143 3.763 7.353 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.338 5.067 9.481 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.722 4.069 8.143 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.316 3.651 9.825 1.00 53.02 H new ATOM 734 N LEU X 476 11.155 0.645 8.642 1.00 14.12 N ATOM 735 CA LEU X 476 9.726 0.816 8.411 1.00 2.33 C ATOM 736 C LEU X 476 8.911 -0.008 9.403 1.00 41.31 C ATOM 737 O LEU X 476 7.716 0.222 9.584 1.00 65.41 O ATOM 738 CB LEU X 476 9.367 0.413 6.979 1.00 21.22 C ATOM 739 CG LEU X 476 9.932 1.303 5.871 1.00 11.11 C ATOM 740 CD1 LEU X 476 10.279 0.472 4.646 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.940 2.399 5.510 1.00 71.10 C ATOM 0 H LEU X 476 11.639 0.116 7.916 1.00 14.12 H new ATOM 0 HA LEU X 476 9.484 1.869 8.556 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.714 -0.607 6.812 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.281 0.399 6.888 1.00 21.22 H new ATOM 0 HG LEU X 476 10.845 1.773 6.237 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.680 1.121 3.867 1.00 15.24 H new ATOM 0 HD12 LEU X 476 11.025 -0.277 4.914 1.00 15.24 H new ATOM 0 HD13 LEU X 476 9.382 -0.025 4.278 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.358 3.023 4.720 1.00 71.10 H new ATOM 0 HD22 LEU X 476 8.010 1.948 5.162 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.740 3.012 6.389 1.00 71.10 H new ATOM 752 N GLY X 477 9.567 -0.970 10.044 1.00 45.23 N ATOM 753 CA GLY X 477 8.889 -1.813 11.012 1.00 22.13 C ATOM 754 C GLY X 477 8.254 -3.033 10.373 1.00 61.31 C ATOM 755 O GLY X 477 7.401 -3.685 10.975 1.00 35.21 O ATOM 0 H GLY X 477 10.556 -1.181 9.910 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.601 -2.134 11.772 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.120 -1.231 11.521 1.00 22.13 H new ATOM 759 N TYR X 478 8.669 -3.341 9.149 1.00 41.35 N ATOM 760 CA TYR X 478 8.133 -4.488 8.427 1.00 51.13 C ATOM 761 C TYR X 478 9.212 -5.541 8.197 1.00 65.31 C ATOM 762 O TYR X 478 10.406 -5.252 8.277 1.00 40.51 O ATOM 763 CB TYR X 478 7.544 -4.043 7.087 1.00 71.43 C ATOM 764 CG TYR X 478 6.685 -2.802 7.184 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.782 -2.639 8.227 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.777 -1.794 6.233 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.994 -1.508 8.319 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.995 -0.658 6.319 1.00 51.13 C ATOM 769 CZ TYR X 478 5.105 -0.520 7.363 1.00 63.32 C ATOM 770 OH TYR X 478 4.324 0.609 7.453 1.00 43.33 O ATOM 0 H TYR X 478 9.375 -2.812 8.637 1.00 41.35 H new ATOM 0 HA TYR X 478 7.344 -4.931 9.034 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.358 -3.857 6.386 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.947 -4.856 6.674 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.695 -3.410 8.979 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.471 -1.900 5.413 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.295 -1.398 9.135 1.00 15.11 H new ATOM 0 HE2 TYR X 478 6.080 0.118 5.572 1.00 51.13 H new ATOM 0 HH TYR X 478 4.525 1.206 6.703 1.00 43.33 H new ATOM 779 N THR X 479 8.783 -6.766 7.909 1.00 31.11 N ATOM 780 CA THR X 479 9.710 -7.863 7.667 1.00 32.34 C ATOM 781 C THR X 479 10.107 -7.935 6.197 1.00 71.23 C ATOM 782 O THR X 479 9.465 -7.326 5.340 1.00 3.54 O ATOM 783 CB THR X 479 9.104 -9.216 8.090 1.00 31.32 C ATOM 784 OG1 THR X 479 10.022 -10.276 7.801 1.00 41.35 O ATOM 785 CG2 THR X 479 7.788 -9.466 7.370 1.00 33.32 C ATOM 0 H THR X 479 7.798 -7.023 7.838 1.00 31.11 H new ATOM 0 HA THR X 479 10.596 -7.665 8.270 1.00 32.34 H new ATOM 0 HB THR X 479 8.913 -9.185 9.163 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.630 -11.132 8.074 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.378 -10.426 7.684 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.082 -8.673 7.616 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.959 -9.479 6.294 1.00 33.32 H new ATOM 793 N LEU X 480 11.167 -8.683 5.911 1.00 51.22 N ATOM 794 CA LEU X 480 11.649 -8.834 4.542 1.00 73.24 C ATOM 795 C LEU X 480 10.507 -9.201 3.601 1.00 73.11 C ATOM 796 O LEU X 480 10.446 -8.725 2.467 1.00 12.40 O ATOM 797 CB LEU X 480 12.741 -9.904 4.481 1.00 54.35 C ATOM 798 CG LEU X 480 13.412 -10.101 3.122 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.834 -10.611 3.297 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.603 -11.057 2.259 1.00 24.30 C ATOM 0 H LEU X 480 11.709 -9.194 6.608 1.00 51.22 H new ATOM 0 HA LEU X 480 12.066 -7.879 4.221 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.510 -9.651 5.210 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.308 -10.855 4.791 1.00 54.35 H new ATOM 0 HG LEU X 480 13.453 -9.136 2.617 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.295 -10.745 2.319 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.411 -9.889 3.874 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.816 -11.565 3.824 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.097 -11.184 1.296 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.527 -12.023 2.759 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.604 -10.650 2.103 1.00 24.30 H new ATOM 811 N ARG X 481 9.603 -10.051 4.078 1.00 60.01 N ATOM 812 CA ARG X 481 8.462 -10.480 3.278 1.00 5.23 C ATOM 813 C ARG X 481 7.523 -9.310 2.997 1.00 63.40 C ATOM 814 O ARG X 481 7.155 -9.060 1.850 1.00 34.21 O ATOM 815 CB ARG X 481 7.701 -11.597 3.997 1.00 22.32 C ATOM 816 CG ARG X 481 6.831 -12.433 3.073 1.00 15.42 C ATOM 817 CD ARG X 481 5.725 -13.141 3.838 1.00 33.20 C ATOM 818 NE ARG X 481 5.145 -14.241 3.072 1.00 11.02 N ATOM 819 CZ ARG X 481 4.138 -14.989 3.506 1.00 23.35 C ATOM 820 NH1 ARG X 481 3.599 -14.755 4.695 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.666 -15.973 2.751 1.00 54.34 N ATOM 0 H ARG X 481 9.639 -10.456 5.014 1.00 60.01 H new ATOM 0 HA ARG X 481 8.838 -10.858 2.327 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.417 -12.249 4.497 1.00 22.32 H new ATOM 0 HB3 ARG X 481 7.074 -11.157 4.773 1.00 22.32 H new ATOM 0 HG2 ARG X 481 6.393 -11.793 2.307 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.448 -13.170 2.559 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.123 -13.524 4.778 1.00 33.20 H new ATOM 0 HD3 ARG X 481 4.944 -12.424 4.091 1.00 33.20 H new ATOM 0 HE ARG X 481 5.536 -14.446 2.152 1.00 11.02 H new ATOM 0 HH11 ARG X 481 3.958 -13.999 5.278 1.00 64.23 H new ATOM 0 HH12 ARG X 481 2.825 -15.331 5.026 1.00 64.23 H new ATOM 0 HH21 ARG X 481 4.077 -16.156 1.836 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.892 -16.547 3.086 1.00 54.34 H new ATOM 832 N GLN X 482 7.140 -8.599 4.052 1.00 43.45 N ATOM 833 CA GLN X 482 6.244 -7.456 3.917 1.00 74.43 C ATOM 834 C GLN X 482 6.837 -6.407 2.983 1.00 15.22 C ATOM 835 O GLN X 482 6.209 -6.009 2.000 1.00 24.12 O ATOM 836 CB GLN X 482 5.963 -6.838 5.287 1.00 61.30 C ATOM 837 CG GLN X 482 5.022 -7.665 6.149 1.00 11.44 C ATOM 838 CD GLN X 482 3.743 -8.036 5.424 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.687 -9.039 4.711 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.705 -7.226 5.601 1.00 62.51 N ATOM 0 H GLN X 482 7.435 -8.793 5.009 1.00 43.45 H new ATOM 0 HA GLN X 482 5.307 -7.809 3.487 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.906 -6.707 5.817 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.535 -5.845 5.147 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.532 -8.574 6.468 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.775 -7.105 7.051 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.795 -6.406 6.200 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.818 -7.425 5.138 1.00 62.51 H new ATOM 847 N LEU X 483 8.047 -5.959 3.297 1.00 30.43 N ATOM 848 CA LEU X 483 8.725 -4.954 2.486 1.00 23.25 C ATOM 849 C LEU X 483 8.789 -5.386 1.025 1.00 43.34 C ATOM 850 O LEU X 483 8.408 -4.634 0.128 1.00 12.42 O ATOM 851 CB LEU X 483 10.138 -4.709 3.019 1.00 32.11 C ATOM 852 CG LEU X 483 10.836 -3.446 2.514 1.00 53.13 C ATOM 853 CD1 LEU X 483 9.991 -2.216 2.808 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.216 -3.310 3.141 1.00 65.25 C ATOM 0 H LEU X 483 8.579 -6.276 4.108 1.00 30.43 H new ATOM 0 HA LEU X 483 8.154 -4.028 2.547 1.00 23.25 H new ATOM 0 HB2 LEU X 483 10.092 -4.664 4.107 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.756 -5.569 2.762 1.00 32.11 H new ATOM 0 HG LEU X 483 10.958 -3.529 1.434 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.503 -1.326 2.442 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.026 -2.310 2.310 1.00 33.51 H new ATOM 0 HD13 LEU X 483 9.837 -2.129 3.884 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.697 -2.405 2.769 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.119 -3.250 4.225 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.822 -4.177 2.878 1.00 65.25 H new ATOM 865 N ASP X 484 9.270 -6.602 0.793 1.00 4.40 N ATOM 866 CA ASP X 484 9.380 -7.136 -0.560 1.00 74.33 C ATOM 867 C ASP X 484 8.047 -7.032 -1.296 1.00 23.13 C ATOM 868 O ASP X 484 7.998 -6.627 -2.457 1.00 2.41 O ATOM 869 CB ASP X 484 9.841 -8.593 -0.521 1.00 53.22 C ATOM 870 CG ASP X 484 9.732 -9.273 -1.871 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.569 -8.981 -2.751 1.00 13.14 O ATOM 872 OD2 ASP X 484 8.810 -10.095 -2.050 1.00 12.45 O ATOM 0 H ASP X 484 9.590 -7.237 1.524 1.00 4.40 H new ATOM 0 HA ASP X 484 10.120 -6.543 -1.098 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.875 -8.634 -0.180 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.243 -9.141 0.207 1.00 53.22 H new ATOM 876 N TYR X 485 6.970 -7.399 -0.611 1.00 62.24 N ATOM 877 CA TYR X 485 5.637 -7.349 -1.201 1.00 54.52 C ATOM 878 C TYR X 485 5.280 -5.927 -1.622 1.00 35.33 C ATOM 879 O TYR X 485 4.659 -5.713 -2.663 1.00 43.32 O ATOM 880 CB TYR X 485 4.599 -7.876 -0.209 1.00 42.42 C ATOM 881 CG TYR X 485 3.495 -8.680 -0.858 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.754 -9.918 -1.433 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.190 -8.200 -0.896 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.749 -10.655 -2.028 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.178 -8.932 -1.487 1.00 35.54 C ATOM 886 CZ TYR X 485 1.462 -10.157 -2.052 1.00 72.11 C ATOM 887 OH TYR X 485 0.458 -10.889 -2.643 1.00 32.54 O ATOM 0 H TYR X 485 6.993 -7.734 0.352 1.00 62.24 H new ATOM 0 HA TYR X 485 5.636 -7.981 -2.089 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.101 -8.497 0.534 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.158 -7.034 0.325 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.760 -10.311 -1.414 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.964 -7.240 -0.456 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.969 -11.615 -2.472 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.169 -8.546 -1.506 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.388 -10.399 -2.574 1.00 32.54 H new ATOM 896 N ARG X 486 5.676 -4.958 -0.803 1.00 30.20 N ATOM 897 CA ARG X 486 5.398 -3.556 -1.089 1.00 23.23 C ATOM 898 C ARG X 486 6.195 -3.079 -2.301 1.00 23.24 C ATOM 899 O ARG X 486 5.692 -2.313 -3.124 1.00 73.10 O ATOM 900 CB ARG X 486 5.732 -2.689 0.126 1.00 32.34 C ATOM 901 CG ARG X 486 4.515 -2.297 0.947 1.00 43.42 C ATOM 902 CD ARG X 486 4.147 -3.377 1.952 1.00 11.40 C ATOM 903 NE ARG X 486 4.096 -2.861 3.317 1.00 15.11 N ATOM 904 CZ ARG X 486 3.052 -2.212 3.819 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.977 -2.001 3.072 1.00 34.32 N ATOM 906 NH2 ARG X 486 3.081 -1.771 5.070 1.00 1.14 N ATOM 0 H ARG X 486 6.190 -5.118 0.063 1.00 30.20 H new ATOM 0 HA ARG X 486 4.336 -3.462 -1.314 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.432 -3.227 0.764 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.239 -1.785 -0.212 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.715 -1.363 1.472 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.670 -2.114 0.283 1.00 43.42 H new ATOM 0 HD2 ARG X 486 3.178 -3.802 1.689 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.875 -4.186 1.897 1.00 11.40 H new ATOM 0 HE ARG X 486 4.907 -3.007 3.918 1.00 15.11 H new ATOM 0 HH11 ARG X 486 1.951 -2.338 2.109 1.00 34.32 H new ATOM 0 HH12 ARG X 486 1.176 -1.502 3.460 1.00 34.32 H new ATOM 0 HH21 ARG X 486 3.906 -1.930 5.648 1.00 1.14 H new ATOM 0 HH22 ARG X 486 2.278 -1.273 5.454 1.00 1.14 H new ATOM 917 N ILE X 487 7.438 -3.536 -2.402 1.00 12.05 N ATOM 918 CA ILE X 487 8.302 -3.157 -3.512 1.00 10.12 C ATOM 919 C ILE X 487 7.752 -3.672 -4.839 1.00 62.30 C ATOM 920 O ILE X 487 7.769 -2.965 -5.846 1.00 15.43 O ATOM 921 CB ILE X 487 9.733 -3.695 -3.321 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.346 -3.130 -2.037 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.596 -3.345 -4.525 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.353 -1.619 -1.985 1.00 35.13 C ATOM 0 H ILE X 487 7.869 -4.169 -1.729 1.00 12.05 H new ATOM 0 HA ILE X 487 8.330 -2.068 -3.531 1.00 10.12 H new ATOM 0 HB ILE X 487 9.689 -4.781 -3.234 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.791 -3.512 -1.180 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.369 -3.493 -1.942 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.604 -3.732 -4.375 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.166 -3.790 -5.422 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.637 -2.262 -4.641 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.801 -1.289 -1.048 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.933 -1.229 -2.822 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.330 -1.248 -2.048 1.00 35.13 H new ATOM 935 N LYS X 488 7.262 -4.906 -4.830 1.00 1.41 N ATOM 936 CA LYS X 488 6.702 -5.516 -6.030 1.00 43.53 C ATOM 937 C LYS X 488 5.332 -4.927 -6.352 1.00 53.44 C ATOM 938 O LYS X 488 4.961 -4.792 -7.518 1.00 72.22 O ATOM 939 CB LYS X 488 6.588 -7.032 -5.852 1.00 2.51 C ATOM 940 CG LYS X 488 5.725 -7.441 -4.671 1.00 3.34 C ATOM 941 CD LYS X 488 5.622 -8.953 -4.555 1.00 3.43 C ATOM 942 CE LYS X 488 4.984 -9.565 -5.793 1.00 41.43 C ATOM 943 NZ LYS X 488 3.641 -8.983 -6.070 1.00 22.33 N ATOM 0 H LYS X 488 7.241 -5.504 -4.004 1.00 1.41 H new ATOM 0 HA LYS X 488 7.374 -5.304 -6.862 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.174 -7.466 -6.762 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.586 -7.451 -5.725 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.146 -7.032 -3.752 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.728 -7.015 -4.782 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.616 -9.376 -4.410 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.033 -9.212 -3.675 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.634 -9.405 -6.653 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.892 -10.643 -5.659 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 2.989 -9.738 -6.363 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.277 -8.526 -5.210 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.718 -8.278 -6.831 1.00 22.33 H new ATOM 953 N LYS X 489 4.586 -4.575 -5.311 1.00 24.34 N ATOM 954 CA LYS X 489 3.258 -3.997 -5.481 1.00 21.32 C ATOM 955 C LYS X 489 3.349 -2.583 -6.043 1.00 63.33 C ATOM 956 O LYS X 489 2.616 -2.222 -6.965 1.00 53.33 O ATOM 957 CB LYS X 489 2.511 -3.981 -4.147 1.00 54.52 C ATOM 958 CG LYS X 489 1.427 -5.042 -4.042 1.00 54.51 C ATOM 959 CD LYS X 489 2.013 -6.443 -4.092 1.00 14.12 C ATOM 960 CE LYS X 489 0.973 -7.466 -4.521 1.00 62.31 C ATOM 961 NZ LYS X 489 -0.278 -7.354 -3.721 1.00 3.10 N ATOM 0 H LYS X 489 4.879 -4.680 -4.339 1.00 24.34 H new ATOM 0 HA LYS X 489 2.708 -4.616 -6.190 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.227 -4.124 -3.338 1.00 54.52 H new ATOM 0 HB3 LYS X 489 2.061 -2.999 -4.004 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.876 -4.910 -3.111 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.713 -4.916 -4.856 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.853 -6.463 -4.787 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.405 -6.710 -3.111 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.742 -7.328 -5.577 1.00 62.31 H new ATOM 0 HE3 LYS X 489 1.385 -8.470 -4.413 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.949 -8.090 -4.021 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.057 -7.477 -2.712 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 -0.703 -6.417 -3.871 1.00 3.10 H new ATOM 971 N TYR X 490 4.252 -1.785 -5.483 1.00 63.10 N ATOM 972 CA TYR X 490 4.437 -0.409 -5.927 1.00 65.13 C ATOM 973 C TYR X 490 5.529 -0.322 -6.990 1.00 43.30 C ATOM 974 O TYR X 490 5.849 0.760 -7.479 1.00 45.35 O ATOM 975 CB TYR X 490 4.792 0.489 -4.741 1.00 31.24 C ATOM 976 CG TYR X 490 3.715 0.546 -3.681 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.470 1.099 -3.959 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.941 0.051 -2.403 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.483 1.154 -2.994 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.959 0.101 -1.433 1.00 30.22 C ATOM 981 CZ TYR X 490 1.732 0.653 -1.732 1.00 51.31 C ATOM 982 OH TYR X 490 0.751 0.707 -0.768 1.00 54.23 O ATOM 0 H TYR X 490 4.867 -2.068 -4.720 1.00 63.10 H new ATOM 0 HA TYR X 490 3.500 -0.066 -6.365 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.717 0.131 -4.289 1.00 31.24 H new ATOM 0 HB3 TYR X 490 4.985 1.498 -5.105 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.271 1.492 -4.945 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.902 -0.381 -2.164 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.521 1.587 -3.226 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.152 -0.291 -0.445 1.00 30.22 H new ATOM 0 HH TYR X 490 0.919 0.018 -0.092 1.00 54.23 H new ATOM 991 N GLY X 491 6.096 -1.472 -7.342 1.00 12.33 N ATOM 992 CA GLY X 491 7.144 -1.505 -8.345 1.00 73.13 C ATOM 993 C GLY X 491 8.263 -0.529 -8.044 1.00 70.25 C ATOM 994 O GLY X 491 8.761 0.151 -8.944 1.00 25.21 O ATOM 0 H GLY X 491 5.848 -2.381 -6.951 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.552 -2.514 -8.407 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.717 -1.274 -9.321 1.00 73.13 H new ATOM 998 N ILE X 492 8.661 -0.458 -6.779 1.00 33.34 N ATOM 999 CA ILE X 492 9.730 0.443 -6.364 1.00 12.35 C ATOM 1000 C ILE X 492 11.093 -0.085 -6.796 1.00 73.33 C ATOM 1001 O ILE X 492 11.280 -1.290 -6.959 1.00 45.43 O ATOM 1002 CB ILE X 492 9.731 0.649 -4.837 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.310 0.913 -4.335 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.655 1.795 -4.458 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.219 1.066 -2.832 1.00 21.21 C ATOM 0 H ILE X 492 8.260 -1.013 -6.023 1.00 33.34 H new ATOM 0 HA ILE X 492 9.543 1.400 -6.851 1.00 12.35 H new ATOM 0 HB ILE X 492 10.100 -0.260 -4.363 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.928 1.818 -4.808 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.664 0.093 -4.648 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.645 1.928 -3.376 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.669 1.568 -4.786 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.314 2.712 -4.939 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.183 1.251 -2.547 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.570 0.153 -2.351 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.838 1.905 -2.513 1.00 21.21 H new ATOM 1016 N GLU X 493 12.043 0.827 -6.979 1.00 41.10 N ATOM 1017 CA GLU X 493 13.391 0.452 -7.391 1.00 52.04 C ATOM 1018 C GLU X 493 14.351 0.481 -6.204 1.00 43.33 C ATOM 1019 O GLU X 493 14.019 0.995 -5.135 1.00 63.45 O ATOM 1020 CB GLU X 493 13.893 1.392 -8.489 1.00 63.11 C ATOM 1021 CG GLU X 493 13.012 1.405 -9.728 1.00 11.52 C ATOM 1022 CD GLU X 493 13.173 2.672 -10.545 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.500 3.674 -10.224 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.971 2.662 -11.505 1.00 62.13 O ATOM 0 H GLU X 493 11.905 1.829 -6.849 1.00 41.10 H new ATOM 0 HA GLU X 493 13.354 -0.565 -7.782 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.957 2.404 -8.088 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.903 1.097 -8.774 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.253 0.543 -10.350 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.969 1.300 -9.429 1.00 11.52 H new