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+ 160:sc= -0.445 (180deg=-0.845) USER MOD Single : X 456 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00167) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 18:sc= 0.429 USER MOD Single : X 467 TYR OH : rot 34:sc= 1.24 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 470 SER OG : rot 180:sc= -0.835 USER MOD Single : X 474 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.331 USER MOD Single : X 482 GLN : amide:sc= -0.471 K(o=-0.47,f=-1) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 489 LYS NZ :NH3+ -176:sc= -0.1 (180deg=-0.116) USER MOD Single : X 490 TYR OH : rot 110:sc= -1.7 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.284 5.140 1.675 1.00 61.44 N ATOM 395 CA GLU X 454 2.957 3.861 1.870 1.00 4.33 C ATOM 396 C GLU X 454 4.203 3.762 0.994 1.00 54.22 C ATOM 397 O GLU X 454 5.285 3.421 1.469 1.00 33.03 O ATOM 398 CB GLU X 454 2.005 2.706 1.553 1.00 4.25 C ATOM 399 CG GLU X 454 2.437 1.379 2.154 1.00 54.45 C ATOM 400 CD GLU X 454 1.282 0.413 2.329 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.260 0.814 2.926 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.397 -0.742 1.869 1.00 32.21 O ATOM 0 HA GLU X 454 3.262 3.796 2.914 1.00 4.33 H new ATOM 0 HB2 GLU X 454 1.010 2.955 1.921 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.927 2.597 0.471 1.00 4.25 H new ATOM 0 HG2 GLU X 454 3.193 0.924 1.514 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.905 1.558 3.122 1.00 54.45 H new ATOM 407 N LYS X 455 4.041 4.063 -0.291 1.00 25.33 N ATOM 408 CA LYS X 455 5.150 4.010 -1.235 1.00 0.54 C ATOM 409 C LYS X 455 6.241 5.005 -0.849 1.00 62.42 C ATOM 410 O LYS X 455 7.430 4.688 -0.901 1.00 21.12 O ATOM 411 CB LYS X 455 4.655 4.305 -2.653 1.00 34.23 C ATOM 412 CG LYS X 455 5.746 4.230 -3.706 1.00 13.52 C ATOM 413 CD LYS X 455 6.072 5.604 -4.270 1.00 51.32 C ATOM 414 CE LYS X 455 7.280 6.217 -3.581 1.00 3.43 C ATOM 415 NZ LYS X 455 8.039 7.121 -4.490 1.00 10.05 N ATOM 0 H LYS X 455 3.151 4.346 -0.702 1.00 25.33 H new ATOM 0 HA LYS X 455 5.571 3.005 -1.206 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.866 3.597 -2.908 1.00 34.23 H new ATOM 0 HB3 LYS X 455 4.210 5.300 -2.674 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.644 3.792 -3.270 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.429 3.570 -4.513 1.00 13.52 H new ATOM 0 HD2 LYS X 455 6.264 5.523 -5.340 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.211 6.261 -4.150 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.953 6.775 -2.704 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.937 5.423 -3.227 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.628 7.766 -3.926 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.647 6.554 -5.115 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.372 7.675 -5.065 1.00 10.05 H new ATOM 425 N LYS X 456 5.829 6.207 -0.462 1.00 23.55 N ATOM 426 CA LYS X 456 6.770 7.247 -0.065 1.00 51.54 C ATOM 427 C LYS X 456 7.579 6.813 1.154 1.00 23.14 C ATOM 428 O LYS X 456 8.770 7.107 1.258 1.00 54.11 O ATOM 429 CB LYS X 456 6.026 8.549 0.241 1.00 65.35 C ATOM 430 CG LYS X 456 5.613 9.319 -1.000 1.00 12.34 C ATOM 431 CD LYS X 456 4.699 10.483 -0.657 1.00 41.13 C ATOM 432 CE LYS X 456 5.483 11.661 -0.097 1.00 35.30 C ATOM 433 NZ LYS X 456 6.168 12.432 -1.171 1.00 61.51 N ATOM 0 H LYS X 456 4.849 6.485 -0.415 1.00 23.55 H new ATOM 0 HA LYS X 456 7.457 7.415 -0.894 1.00 51.54 H new ATOM 0 HB2 LYS X 456 5.137 8.320 0.829 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.661 9.184 0.858 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.501 9.691 -1.510 1.00 12.34 H new ATOM 0 HG3 LYS X 456 5.105 8.648 -1.693 1.00 12.34 H new ATOM 0 HD2 LYS X 456 4.157 10.796 -1.549 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.955 10.160 0.071 1.00 41.13 H new ATOM 0 HE2 LYS X 456 4.808 12.320 0.449 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.222 11.299 0.618 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 6.663 13.245 -0.753 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 6.856 11.819 -1.654 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 5.464 12.771 -1.858 1.00 61.51 H new ATOM 443 N ARG X 457 6.923 6.111 2.074 1.00 71.11 N ATOM 444 CA ARG X 457 7.581 5.638 3.285 1.00 35.12 C ATOM 445 C ARG X 457 8.613 4.561 2.957 1.00 55.14 C ATOM 446 O ARG X 457 9.749 4.611 3.429 1.00 20.31 O ATOM 447 CB ARG X 457 6.548 5.086 4.270 1.00 21.50 C ATOM 448 CG ARG X 457 5.908 6.154 5.142 1.00 50.23 C ATOM 449 CD ARG X 457 6.832 6.575 6.274 1.00 12.04 C ATOM 450 NE ARG X 457 6.483 7.890 6.804 1.00 20.01 N ATOM 451 CZ ARG X 457 5.402 8.124 7.540 1.00 74.42 C ATOM 452 NH1 ARG X 457 4.568 7.134 7.831 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.152 9.348 7.986 1.00 51.31 N ATOM 0 H ARG X 457 5.937 5.858 2.003 1.00 71.11 H new ATOM 0 HA ARG X 457 8.095 6.483 3.743 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.768 4.568 3.713 1.00 21.50 H new ATOM 0 HB3 ARG X 457 7.028 4.346 4.910 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.659 7.022 4.532 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.973 5.776 5.555 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.784 5.837 7.075 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.861 6.590 5.915 1.00 12.04 H new ATOM 0 HE ARG X 457 7.104 8.673 6.598 1.00 20.01 H new ATOM 0 HH11 ARG X 457 4.756 6.191 7.490 1.00 71.32 H new ATOM 0 HH12 ARG X 457 3.739 7.315 8.396 1.00 71.32 H new ATOM 0 HH21 ARG X 457 5.790 10.112 7.764 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.321 9.525 8.551 1.00 51.31 H new ATOM 464 N ILE X 458 8.207 3.588 2.147 1.00 20.05 N ATOM 465 CA ILE X 458 9.097 2.501 1.757 1.00 63.42 C ATOM 466 C ILE X 458 10.326 3.031 1.027 1.00 45.00 C ATOM 467 O ILE X 458 11.459 2.715 1.390 1.00 10.42 O ATOM 468 CB ILE X 458 8.377 1.482 0.854 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.188 0.864 1.592 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.344 0.401 0.398 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.590 -0.120 2.668 1.00 74.53 C ATOM 0 H ILE X 458 7.270 3.530 1.749 1.00 20.05 H new ATOM 0 HA ILE X 458 9.410 2.004 2.675 1.00 63.42 H new ATOM 0 HB ILE X 458 8.003 2.002 -0.028 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.596 1.661 2.042 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.546 0.359 0.871 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.820 -0.311 -0.239 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.161 0.856 -0.162 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.746 -0.118 1.268 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.697 -0.518 3.149 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.156 -0.937 2.221 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.207 0.385 3.411 1.00 74.53 H new ATOM 482 N ILE X 459 10.094 3.840 -0.002 1.00 30.41 N ATOM 483 CA ILE X 459 11.184 4.416 -0.779 1.00 14.13 C ATOM 484 C ILE X 459 12.055 5.323 0.082 1.00 54.12 C ATOM 485 O ILE X 459 13.274 5.365 -0.080 1.00 73.32 O ATOM 486 CB ILE X 459 10.652 5.221 -1.980 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.803 5.608 -2.911 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.913 6.461 -1.500 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.458 5.488 -4.380 1.00 14.20 C ATOM 0 H ILE X 459 9.162 4.111 -0.316 1.00 30.41 H new ATOM 0 HA ILE X 459 11.785 3.584 -1.146 1.00 14.13 H new ATOM 0 HB ILE X 459 9.952 4.597 -2.536 1.00 61.15 H new ATOM 0 HG12 ILE X 459 12.102 6.635 -2.699 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.663 4.974 -2.695 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.543 7.020 -2.360 1.00 60.12 H new ATOM 0 HG22 ILE X 459 9.073 6.164 -0.872 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.592 7.089 -0.924 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.320 5.778 -4.981 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.188 4.457 -4.607 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.618 6.143 -4.611 1.00 14.20 H new ATOM 500 N GLU X 460 11.421 6.046 0.999 1.00 70.03 N ATOM 501 CA GLU X 460 12.139 6.952 1.888 1.00 55.24 C ATOM 502 C GLU X 460 13.092 6.181 2.797 1.00 12.02 C ATOM 503 O GLU X 460 14.275 6.506 2.893 1.00 12.20 O ATOM 504 CB GLU X 460 11.153 7.762 2.733 1.00 64.30 C ATOM 505 CG GLU X 460 11.816 8.561 3.842 1.00 23.33 C ATOM 506 CD GLU X 460 10.910 9.637 4.408 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.565 10.575 3.658 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.546 9.541 5.598 1.00 74.02 O ATOM 0 H GLU X 460 10.412 6.022 1.146 1.00 70.03 H new ATOM 0 HA GLU X 460 12.725 7.635 1.273 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.605 8.444 2.083 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.422 7.084 3.173 1.00 64.30 H new ATOM 0 HG2 GLU X 460 12.115 7.885 4.643 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.726 9.022 3.458 1.00 23.33 H new ATOM 513 N ALA X 461 12.565 5.159 3.463 1.00 23.10 N ATOM 514 CA ALA X 461 13.368 4.341 4.365 1.00 30.24 C ATOM 515 C ALA X 461 14.517 3.670 3.619 1.00 45.21 C ATOM 516 O ALA X 461 15.651 3.642 4.102 1.00 60.24 O ATOM 517 CB ALA X 461 12.497 3.295 5.044 1.00 43.23 C ATOM 0 H ALA X 461 11.587 4.878 3.395 1.00 23.10 H new ATOM 0 HA ALA X 461 13.794 4.994 5.127 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.109 2.691 5.714 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.713 3.790 5.616 1.00 43.23 H new ATOM 0 HB3 ALA X 461 12.044 2.652 4.289 1.00 43.23 H new ATOM 523 N LEU X 462 14.219 3.130 2.443 1.00 41.14 N ATOM 524 CA LEU X 462 15.229 2.459 1.632 1.00 32.12 C ATOM 525 C LEU X 462 16.380 3.404 1.303 1.00 23.05 C ATOM 526 O LEU X 462 17.541 3.099 1.573 1.00 51.52 O ATOM 527 CB LEU X 462 14.603 1.931 0.339 1.00 22.31 C ATOM 528 CG LEU X 462 13.961 0.546 0.422 1.00 14.31 C ATOM 529 CD1 LEU X 462 13.006 0.330 -0.742 1.00 13.41 C ATOM 530 CD2 LEU X 462 15.028 -0.537 0.447 1.00 72.43 C ATOM 0 H LEU X 462 13.287 3.143 2.030 1.00 41.14 H new ATOM 0 HA LEU X 462 15.624 1.622 2.207 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.845 2.642 0.009 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.374 1.907 -0.431 1.00 22.31 H new ATOM 0 HG LEU X 462 13.391 0.486 1.349 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.558 -0.661 -0.666 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.221 1.086 -0.714 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.553 0.410 -1.681 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.552 -1.516 0.506 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.627 -0.479 -0.462 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.672 -0.394 1.315 1.00 72.43 H new ATOM 541 N GLU X 463 16.049 4.553 0.722 1.00 4.01 N ATOM 542 CA GLU X 463 17.056 5.542 0.359 1.00 14.12 C ATOM 543 C GLU X 463 17.859 5.976 1.583 1.00 33.23 C ATOM 544 O GLU X 463 19.067 6.199 1.501 1.00 3.32 O ATOM 545 CB GLU X 463 16.396 6.760 -0.290 1.00 41.55 C ATOM 546 CG GLU X 463 15.564 6.421 -1.515 1.00 22.34 C ATOM 547 CD GLU X 463 16.241 6.826 -2.810 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.480 6.971 -2.812 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.529 6.998 -3.822 1.00 1.41 O ATOM 0 H GLU X 463 15.092 4.821 0.493 1.00 4.01 H new ATOM 0 HA GLU X 463 17.738 5.083 -0.357 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.760 7.253 0.445 1.00 41.55 H new ATOM 0 HB3 GLU X 463 17.169 7.474 -0.573 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.368 5.349 -1.531 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.598 6.920 -1.443 1.00 22.34 H new ATOM 554 N LYS X 464 17.178 6.095 2.717 1.00 23.51 N ATOM 555 CA LYS X 464 17.824 6.502 3.959 1.00 44.12 C ATOM 556 C LYS X 464 18.683 5.372 4.520 1.00 71.21 C ATOM 557 O LYS X 464 19.630 5.612 5.270 1.00 34.14 O ATOM 558 CB LYS X 464 16.775 6.920 4.992 1.00 41.33 C ATOM 559 CG LYS X 464 16.618 8.425 5.124 1.00 1.43 C ATOM 560 CD LYS X 464 15.351 8.915 4.444 1.00 74.45 C ATOM 561 CE LYS X 464 15.579 9.181 2.964 1.00 13.32 C ATOM 562 NZ LYS X 464 15.981 10.592 2.709 1.00 54.43 N ATOM 0 H LYS X 464 16.178 5.915 2.802 1.00 23.51 H new ATOM 0 HA LYS X 464 18.469 7.353 3.742 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.814 6.485 4.718 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.047 6.505 5.962 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.595 8.698 6.179 1.00 1.43 H new ATOM 0 HG3 LYS X 464 17.483 8.922 4.685 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.562 8.172 4.564 1.00 74.45 H new ATOM 0 HD3 LYS X 464 15.006 9.828 4.930 1.00 74.45 H new ATOM 0 HE2 LYS X 464 16.352 8.510 2.589 1.00 13.32 H new ATOM 0 HE3 LYS X 464 14.667 8.958 2.410 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 16.127 10.732 1.689 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 15.232 11.232 3.043 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 16.865 10.798 3.217 1.00 54.43 H new ATOM 572 N THR X 465 18.346 4.140 4.152 1.00 13.11 N ATOM 573 CA THR X 465 19.087 2.975 4.619 1.00 52.11 C ATOM 574 C THR X 465 20.185 2.590 3.633 1.00 75.51 C ATOM 575 O THR X 465 21.042 1.762 3.936 1.00 65.34 O ATOM 576 CB THR X 465 18.157 1.766 4.830 1.00 42.21 C ATOM 577 OG1 THR X 465 17.400 1.517 3.640 1.00 52.14 O ATOM 578 CG2 THR X 465 17.212 2.008 5.997 1.00 61.42 C ATOM 0 H THR X 465 17.565 3.923 3.532 1.00 13.11 H new ATOM 0 HA THR X 465 19.538 3.249 5.573 1.00 52.11 H new ATOM 0 HB THR X 465 18.773 0.896 5.057 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.830 1.962 2.880 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.565 1.141 6.127 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.791 2.168 6.907 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.602 2.889 5.795 1.00 61.42 H new ATOM 586 N GLY X 466 20.153 3.199 2.452 1.00 31.45 N ATOM 587 CA GLY X 466 21.151 2.907 1.439 1.00 73.12 C ATOM 588 C GLY X 466 20.686 1.856 0.452 1.00 2.02 C ATOM 589 O GLY X 466 21.464 0.994 0.040 1.00 72.31 O ATOM 0 H GLY X 466 19.454 3.889 2.178 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.396 3.823 0.901 1.00 73.12 H new ATOM 0 HA3 GLY X 466 22.066 2.566 1.923 1.00 73.12 H new ATOM 593 N TYR X 467 19.415 1.923 0.074 1.00 22.12 N ATOM 594 CA TYR X 467 18.846 0.965 -0.867 1.00 42.34 C ATOM 595 C TYR X 467 18.948 -0.457 -0.327 1.00 41.45 C ATOM 596 O TYR X 467 19.437 -1.359 -1.007 1.00 0.12 O ATOM 597 CB TYR X 467 19.558 1.062 -2.217 1.00 12.11 C ATOM 598 CG TYR X 467 19.464 2.430 -2.856 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.229 3.003 -3.137 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.608 3.148 -3.178 1.00 42.12 C ATOM 601 CE1 TYR X 467 18.138 4.252 -3.721 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.526 4.398 -3.760 1.00 24.43 C ATOM 603 CZ TYR X 467 19.289 4.945 -4.030 1.00 42.32 C ATOM 604 OH TYR X 467 19.203 6.190 -4.612 1.00 45.41 O ATOM 0 H TYR X 467 18.759 2.630 0.404 1.00 22.12 H new ATOM 0 HA TYR X 467 17.792 1.208 -1.000 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.609 0.804 -2.083 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.133 0.323 -2.896 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.326 2.463 -2.895 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.578 2.722 -2.970 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.171 4.683 -3.934 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.426 4.944 -4.002 1.00 24.43 H new ATOM 0 HH TYR X 467 18.415 6.659 -4.266 1.00 45.41 H new ATOM 613 N VAL X 468 18.481 -0.651 0.903 1.00 21.22 N ATOM 614 CA VAL X 468 18.517 -1.963 1.537 1.00 11.54 C ATOM 615 C VAL X 468 17.136 -2.370 2.038 1.00 22.10 C ATOM 616 O VAL X 468 16.508 -1.649 2.815 1.00 25.15 O ATOM 617 CB VAL X 468 19.508 -1.990 2.716 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.636 -3.400 3.274 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.865 -1.455 2.284 1.00 32.52 C ATOM 0 H VAL X 468 18.073 0.085 1.480 1.00 21.22 H new ATOM 0 HA VAL X 468 18.848 -2.672 0.778 1.00 11.54 H new ATOM 0 HB VAL X 468 19.123 -1.345 3.506 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.340 -3.399 4.106 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.662 -3.743 3.623 1.00 2.22 H new ATOM 0 HG13 VAL X 468 19.998 -4.069 2.493 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.552 -1.481 3.129 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.259 -2.072 1.476 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.757 -0.428 1.936 1.00 32.52 H new ATOM 629 N LYS X 469 16.668 -3.529 1.589 1.00 2.33 N ATOM 630 CA LYS X 469 15.361 -4.035 1.993 1.00 73.34 C ATOM 631 C LYS X 469 15.355 -4.407 3.472 1.00 0.52 C ATOM 632 O LYS X 469 14.453 -4.019 4.215 1.00 43.22 O ATOM 633 CB LYS X 469 14.979 -5.252 1.147 1.00 64.33 C ATOM 634 CG LYS X 469 14.214 -4.899 -0.117 1.00 65.33 C ATOM 635 CD LYS X 469 15.101 -4.984 -1.347 1.00 74.35 C ATOM 636 CE LYS X 469 15.449 -6.426 -1.685 1.00 63.33 C ATOM 637 NZ LYS X 469 14.394 -7.072 -2.513 1.00 50.11 N ATOM 0 H LYS X 469 17.174 -4.136 0.945 1.00 2.33 H new ATOM 0 HA LYS X 469 14.627 -3.245 1.833 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.885 -5.793 0.874 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.374 -5.928 1.751 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.366 -5.575 -0.231 1.00 65.33 H new ATOM 0 HG3 LYS X 469 13.809 -3.891 -0.029 1.00 65.33 H new ATOM 0 HD2 LYS X 469 14.594 -4.523 -2.195 1.00 74.35 H new ATOM 0 HD3 LYS X 469 16.017 -4.418 -1.176 1.00 74.35 H new ATOM 0 HE2 LYS X 469 16.398 -6.455 -2.220 1.00 63.33 H new ATOM 0 HE3 LYS X 469 15.585 -6.992 -0.764 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.669 -8.053 -2.722 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.493 -7.068 -1.993 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 14.282 -6.547 -3.404 1.00 50.11 H new ATOM 647 N SER X 470 16.366 -5.160 3.892 1.00 71.13 N ATOM 648 CA SER X 470 16.475 -5.586 5.282 1.00 51.22 C ATOM 649 C SER X 470 16.406 -4.389 6.224 1.00 51.22 C ATOM 650 O SER X 470 15.608 -4.368 7.162 1.00 14.32 O ATOM 651 CB SER X 470 17.783 -6.349 5.502 1.00 52.44 C ATOM 652 OG SER X 470 18.866 -5.699 4.860 1.00 5.24 O ATOM 0 H SER X 470 17.121 -5.488 3.290 1.00 71.13 H new ATOM 0 HA SER X 470 15.636 -6.247 5.501 1.00 51.22 H new ATOM 0 HB2 SER X 470 17.985 -6.430 6.570 1.00 52.44 H new ATOM 0 HB3 SER X 470 17.685 -7.364 5.118 1.00 52.44 H new ATOM 0 HG SER X 470 19.691 -6.205 5.017 1.00 5.24 H new ATOM 657 N ARG X 471 17.249 -3.393 5.969 1.00 75.24 N ATOM 658 CA ARG X 471 17.286 -2.192 6.795 1.00 11.02 C ATOM 659 C ARG X 471 15.979 -1.414 6.680 1.00 64.24 C ATOM 660 O ARG X 471 15.381 -1.034 7.685 1.00 23.30 O ATOM 661 CB ARG X 471 18.461 -1.302 6.385 1.00 3.34 C ATOM 662 CG ARG X 471 19.820 -1.929 6.647 1.00 74.42 C ATOM 663 CD ARG X 471 20.911 -1.259 5.825 1.00 11.42 C ATOM 664 NE ARG X 471 22.011 -2.171 5.529 1.00 42.13 N ATOM 665 CZ ARG X 471 23.216 -1.767 5.139 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.472 -0.474 5.001 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.166 -2.659 4.888 1.00 13.40 N ATOM 0 H ARG X 471 17.915 -3.394 5.197 1.00 75.24 H new ATOM 0 HA ARG X 471 17.416 -2.498 7.833 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.376 -1.069 5.324 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.396 -0.357 6.925 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.061 -1.849 7.707 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.784 -2.992 6.408 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.486 -0.889 4.892 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.293 -0.394 6.367 1.00 11.42 H new ATOM 0 HE ARG X 471 21.846 -3.173 5.627 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.744 0.214 5.194 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.397 -0.166 4.702 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.972 -3.655 4.994 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.091 -2.349 4.589 1.00 13.40 H new ATOM 678 N ALA X 472 15.543 -1.179 5.447 1.00 63.50 N ATOM 679 CA ALA X 472 14.307 -0.446 5.200 1.00 51.02 C ATOM 680 C ALA X 472 13.130 -1.097 5.919 1.00 14.44 C ATOM 681 O ALA X 472 12.226 -0.412 6.396 1.00 62.31 O ATOM 682 CB ALA X 472 14.033 -0.362 3.705 1.00 12.21 C ATOM 0 H ALA X 472 16.027 -1.486 4.603 1.00 63.50 H new ATOM 0 HA ALA X 472 14.427 0.563 5.594 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.107 0.188 3.535 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.857 0.154 3.212 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.938 -1.368 3.295 1.00 12.21 H new ATOM 688 N ALA X 473 13.149 -2.424 5.994 1.00 33.12 N ATOM 689 CA ALA X 473 12.084 -3.167 6.656 1.00 5.31 C ATOM 690 C ALA X 473 12.147 -2.986 8.168 1.00 1.25 C ATOM 691 O ALA X 473 11.156 -2.625 8.803 1.00 50.13 O ATOM 692 CB ALA X 473 12.167 -4.643 6.296 1.00 61.31 C ATOM 0 H ALA X 473 13.890 -3.006 5.604 1.00 33.12 H new ATOM 0 HA ALA X 473 11.129 -2.772 6.308 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.366 -5.185 6.798 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.065 -4.761 5.217 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.130 -5.042 6.615 1.00 61.31 H new ATOM 698 N LYS X 474 13.320 -3.240 8.742 1.00 62.03 N ATOM 699 CA LYS X 474 13.513 -3.104 10.181 1.00 24.40 C ATOM 700 C LYS X 474 13.297 -1.661 10.625 1.00 54.40 C ATOM 701 O LYS X 474 12.842 -1.406 11.740 1.00 74.45 O ATOM 702 CB LYS X 474 14.919 -3.564 10.572 1.00 34.32 C ATOM 703 CG LYS X 474 15.933 -2.436 10.632 1.00 3.21 C ATOM 704 CD LYS X 474 17.358 -2.966 10.662 1.00 54.32 C ATOM 705 CE LYS X 474 18.373 -1.835 10.722 1.00 20.00 C ATOM 706 NZ LYS X 474 18.392 -1.178 12.058 1.00 3.13 N ATOM 0 H LYS X 474 14.150 -3.541 8.232 1.00 62.03 H new ATOM 0 HA LYS X 474 12.778 -3.733 10.683 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.875 -4.053 11.545 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.260 -4.311 9.855 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.805 -1.784 9.768 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.751 -1.829 11.519 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.487 -3.618 11.526 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.540 -3.573 9.775 1.00 54.32 H new ATOM 0 HE2 LYS X 474 19.365 -2.225 10.495 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.138 -1.095 9.957 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.142 -0.458 12.080 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 17.473 -0.725 12.235 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 18.574 -1.891 12.793 1.00 3.13 H new ATOM 716 N LEU X 475 13.625 -0.721 9.746 1.00 10.44 N ATOM 717 CA LEU X 475 13.465 0.698 10.048 1.00 74.31 C ATOM 718 C LEU X 475 11.992 1.094 10.038 1.00 24.12 C ATOM 719 O LEU X 475 11.501 1.723 10.976 1.00 74.13 O ATOM 720 CB LEU X 475 14.240 1.545 9.037 1.00 52.05 C ATOM 721 CG LEU X 475 14.726 2.907 9.534 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.819 3.447 8.626 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.567 3.889 9.618 1.00 53.02 C ATOM 0 H LEU X 475 14.003 -0.915 8.819 1.00 10.44 H new ATOM 0 HA LEU X 475 13.864 0.879 11.046 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.105 0.973 8.702 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.606 1.704 8.165 1.00 52.05 H new ATOM 0 HG LEU X 475 15.142 2.780 10.534 1.00 5.43 H new ATOM 0 HD11 LEU X 475 16.153 4.417 8.995 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.660 2.753 8.617 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.429 3.558 7.614 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.932 4.853 9.973 1.00 53.02 H new ATOM 0 HD22 LEU X 475 13.121 4.011 8.631 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.816 3.507 10.310 1.00 53.02 H new ATOM 734 N LEU X 476 11.292 0.720 8.973 1.00 14.12 N ATOM 735 CA LEU X 476 9.873 1.035 8.842 1.00 2.33 C ATOM 736 C LEU X 476 9.051 0.285 9.886 1.00 41.31 C ATOM 737 O LEU X 476 8.153 0.852 10.507 1.00 65.41 O ATOM 738 CB LEU X 476 9.380 0.681 7.438 1.00 21.22 C ATOM 739 CG LEU X 476 9.856 1.596 6.309 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.848 0.855 4.982 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.985 2.842 6.231 1.00 71.10 C ATOM 0 H LEU X 476 11.683 0.199 8.188 1.00 14.12 H new ATOM 0 HA LEU X 476 9.746 2.105 9.006 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.694 -0.337 7.210 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.290 0.684 7.446 1.00 21.22 H new ATOM 0 HG LEU X 476 10.879 1.904 6.523 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.190 1.522 4.191 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.513 -0.007 5.042 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.836 0.517 4.760 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.337 3.482 5.422 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.952 2.552 6.040 1.00 71.10 H new ATOM 0 HD23 LEU X 476 9.041 3.385 7.174 1.00 71.10 H new ATOM 752 N GLY X 477 9.366 -0.993 10.074 1.00 45.23 N ATOM 753 CA GLY X 477 8.648 -1.798 11.046 1.00 22.13 C ATOM 754 C GLY X 477 7.977 -3.003 10.417 1.00 61.31 C ATOM 755 O GLY X 477 7.061 -3.585 10.998 1.00 35.21 O ATOM 0 H GLY X 477 10.105 -1.485 9.571 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.340 -2.133 11.818 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.895 -1.182 11.538 1.00 22.13 H new ATOM 759 N TYR X 478 8.430 -3.376 9.226 1.00 41.35 N ATOM 760 CA TYR X 478 7.865 -4.516 8.515 1.00 51.13 C ATOM 761 C TYR X 478 8.922 -5.589 8.276 1.00 65.31 C ATOM 762 O TYR X 478 10.123 -5.325 8.360 1.00 40.51 O ATOM 763 CB TYR X 478 7.267 -4.067 7.181 1.00 71.43 C ATOM 764 CG TYR X 478 6.415 -2.822 7.288 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.522 -2.655 8.339 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.505 -1.813 6.337 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.742 -1.521 8.439 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.730 -0.673 6.431 1.00 51.13 C ATOM 769 CZ TYR X 478 4.849 -0.531 7.483 1.00 63.32 C ATOM 770 OH TYR X 478 4.074 0.602 7.581 1.00 43.33 O ATOM 0 H TYR X 478 9.188 -2.905 8.732 1.00 41.35 H new ATOM 0 HA TYR X 478 7.076 -4.942 9.134 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.075 -3.884 6.473 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.663 -4.877 6.772 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.437 -3.426 9.091 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.192 -1.922 5.511 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.051 -1.409 9.261 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.814 0.103 5.685 1.00 51.13 H new ATOM 0 HH TYR X 478 4.272 1.199 6.830 1.00 43.33 H new ATOM 779 N THR X 479 8.469 -6.802 7.977 1.00 31.11 N ATOM 780 CA THR X 479 9.375 -7.916 7.725 1.00 32.34 C ATOM 781 C THR X 479 9.776 -7.977 6.256 1.00 71.23 C ATOM 782 O THR X 479 9.150 -7.346 5.403 1.00 3.54 O ATOM 783 CB THR X 479 8.738 -9.259 8.128 1.00 31.32 C ATOM 784 OG1 THR X 479 9.639 -10.335 7.839 1.00 41.35 O ATOM 785 CG2 THR X 479 7.426 -9.480 7.390 1.00 33.32 C ATOM 0 H THR X 479 7.480 -7.038 7.903 1.00 31.11 H new ATOM 0 HA THR X 479 10.263 -7.746 8.334 1.00 32.34 H new ATOM 0 HB THR X 479 8.535 -9.232 9.199 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.227 -11.185 8.100 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.995 -10.435 7.691 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.732 -8.676 7.633 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.610 -9.488 6.316 1.00 33.32 H new ATOM 793 N LEU X 480 10.823 -8.742 5.964 1.00 51.22 N ATOM 794 CA LEU X 480 11.308 -8.886 4.596 1.00 73.24 C ATOM 795 C LEU X 480 10.167 -9.241 3.649 1.00 73.11 C ATOM 796 O LEU X 480 10.124 -8.774 2.511 1.00 12.40 O ATOM 797 CB LEU X 480 12.394 -9.962 4.530 1.00 54.35 C ATOM 798 CG LEU X 480 12.877 -10.343 3.131 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.343 -9.979 2.953 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.660 -11.828 2.877 1.00 24.30 C ATOM 0 H LEU X 480 11.352 -9.272 6.657 1.00 51.22 H new ATOM 0 HA LEU X 480 11.731 -7.931 4.284 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.252 -9.619 5.108 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.018 -10.860 5.020 1.00 54.35 H new ATOM 0 HG LEU X 480 12.294 -9.781 2.402 1.00 42.31 H new ATOM 0 HD11 LEU X 480 14.668 -10.258 1.951 1.00 10.34 H new ATOM 0 HD12 LEU X 480 14.470 -8.905 3.090 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.943 -10.513 3.691 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.010 -12.081 1.876 1.00 24.30 H new ATOM 0 HD22 LEU X 480 13.216 -12.408 3.613 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.598 -12.060 2.960 1.00 24.30 H new ATOM 811 N ARG X 481 9.243 -10.069 4.127 1.00 60.01 N ATOM 812 CA ARG X 481 8.100 -10.485 3.322 1.00 5.23 C ATOM 813 C ARG X 481 7.186 -9.301 3.022 1.00 63.40 C ATOM 814 O ARG X 481 6.827 -9.059 1.870 1.00 34.21 O ATOM 815 CB ARG X 481 7.314 -11.580 4.044 1.00 22.32 C ATOM 816 CG ARG X 481 7.343 -12.922 3.331 1.00 15.42 C ATOM 817 CD ARG X 481 6.429 -13.932 4.006 1.00 33.20 C ATOM 818 NE ARG X 481 6.746 -14.095 5.422 1.00 11.02 N ATOM 819 CZ ARG X 481 7.800 -14.770 5.867 1.00 23.35 C ATOM 820 NH1 ARG X 481 8.637 -15.339 5.011 1.00 64.23 N ATOM 821 NH2 ARG X 481 8.021 -14.873 7.172 1.00 54.34 N ATOM 0 H ARG X 481 9.264 -10.465 5.067 1.00 60.01 H new ATOM 0 HA ARG X 481 8.476 -10.879 2.378 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.718 -11.703 5.049 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.278 -11.259 4.154 1.00 22.32 H new ATOM 0 HG2 ARG X 481 7.038 -12.790 2.293 1.00 15.42 H new ATOM 0 HG3 ARG X 481 8.363 -13.306 3.317 1.00 15.42 H new ATOM 0 HD2 ARG X 481 5.393 -13.610 3.901 1.00 33.20 H new ATOM 0 HD3 ARG X 481 6.517 -14.894 3.502 1.00 33.20 H new ATOM 0 HE ARG X 481 6.124 -13.667 6.107 1.00 11.02 H new ATOM 0 HH11 ARG X 481 8.473 -15.259 4.007 1.00 64.23 H new ATOM 0 HH12 ARG X 481 9.445 -15.857 5.356 1.00 64.23 H new ATOM 0 HH21 ARG X 481 7.381 -14.434 7.834 1.00 54.34 H new ATOM 0 HH22 ARG X 481 8.831 -15.392 7.513 1.00 54.34 H new ATOM 832 N GLN X 482 6.813 -8.568 4.067 1.00 43.45 N ATOM 833 CA GLN X 482 5.940 -7.410 3.915 1.00 74.43 C ATOM 834 C GLN X 482 6.584 -6.357 3.019 1.00 15.22 C ATOM 835 O GLN X 482 5.996 -5.928 2.026 1.00 24.12 O ATOM 836 CB GLN X 482 5.617 -6.806 5.282 1.00 61.30 C ATOM 837 CG GLN X 482 4.664 -7.651 6.111 1.00 11.44 C ATOM 838 CD GLN X 482 3.416 -8.044 5.345 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.412 -9.023 4.599 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.345 -7.279 5.525 1.00 62.51 N ATOM 0 H GLN X 482 7.102 -8.756 5.027 1.00 43.45 H new ATOM 0 HA GLN X 482 5.014 -7.743 3.445 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.545 -6.669 5.838 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.182 -5.817 5.139 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.179 -8.551 6.445 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.378 -7.097 7.005 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.391 -6.476 6.153 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.476 -7.494 5.036 1.00 62.51 H new ATOM 847 N LEU X 483 7.795 -5.943 3.377 1.00 30.43 N ATOM 848 CA LEU X 483 8.519 -4.939 2.606 1.00 23.25 C ATOM 849 C LEU X 483 8.615 -5.344 1.138 1.00 43.34 C ATOM 850 O LEU X 483 8.257 -4.574 0.247 1.00 12.42 O ATOM 851 CB LEU X 483 9.921 -4.737 3.184 1.00 32.11 C ATOM 852 CG LEU X 483 10.674 -3.496 2.702 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.507 -2.354 3.691 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.147 -3.814 2.492 1.00 65.25 C ATOM 0 H LEU X 483 8.296 -6.287 4.196 1.00 30.43 H new ATOM 0 HA LEU X 483 7.968 -4.001 2.669 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.841 -4.690 4.270 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.520 -5.616 2.946 1.00 32.11 H new ATOM 0 HG LEU X 483 10.252 -3.185 1.746 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.049 -1.479 3.332 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.449 -2.110 3.790 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.902 -2.653 4.662 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.667 -2.920 2.149 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.584 -4.150 3.432 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.246 -4.601 1.744 1.00 65.25 H new ATOM 865 N ASP X 484 9.098 -6.556 0.895 1.00 4.40 N ATOM 866 CA ASP X 484 9.237 -7.065 -0.465 1.00 74.33 C ATOM 867 C ASP X 484 7.916 -6.963 -1.221 1.00 23.13 C ATOM 868 O ASP X 484 7.878 -6.498 -2.361 1.00 2.41 O ATOM 869 CB ASP X 484 9.714 -8.519 -0.442 1.00 53.22 C ATOM 870 CG ASP X 484 10.027 -9.048 -1.827 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.889 -8.455 -2.509 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.407 -10.054 -2.232 1.00 12.45 O ATOM 0 H ASP X 484 9.400 -7.205 1.621 1.00 4.40 H new ATOM 0 HA ASP X 484 9.979 -6.455 -0.981 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.604 -8.596 0.183 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.947 -9.143 0.017 1.00 53.22 H new ATOM 876 N TYR X 485 6.839 -7.400 -0.581 1.00 62.24 N ATOM 877 CA TYR X 485 5.517 -7.361 -1.195 1.00 54.52 C ATOM 878 C TYR X 485 5.152 -5.939 -1.613 1.00 35.33 C ATOM 879 O TYR X 485 4.508 -5.728 -2.641 1.00 43.32 O ATOM 880 CB TYR X 485 4.465 -7.905 -0.227 1.00 42.42 C ATOM 881 CG TYR X 485 3.366 -8.690 -0.905 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.653 -9.837 -1.635 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.039 -8.286 -0.816 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.652 -10.557 -2.257 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.031 -9.000 -1.434 1.00 35.54 C ATOM 886 CZ TYR X 485 1.342 -10.136 -2.153 1.00 72.11 C ATOM 887 OH TYR X 485 0.342 -10.851 -2.770 1.00 32.54 O ATOM 0 H TYR X 485 6.854 -7.786 0.363 1.00 62.24 H new ATOM 0 HA TYR X 485 5.540 -7.988 -2.086 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.955 -8.543 0.508 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.021 -7.073 0.319 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.677 -10.171 -1.717 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.792 -7.398 -0.254 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.893 -11.445 -2.822 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.005 -8.671 -1.355 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.522 -10.421 -2.598 1.00 32.54 H new ATOM 896 N ARG X 486 5.570 -4.968 -0.809 1.00 30.20 N ATOM 897 CA ARG X 486 5.288 -3.566 -1.093 1.00 23.23 C ATOM 898 C ARG X 486 6.140 -3.064 -2.255 1.00 23.24 C ATOM 899 O ARG X 486 5.691 -2.248 -3.060 1.00 73.10 O ATOM 900 CB ARG X 486 5.546 -2.709 0.148 1.00 32.34 C ATOM 901 CG ARG X 486 4.299 -2.444 0.976 1.00 43.42 C ATOM 902 CD ARG X 486 3.952 -3.633 1.858 1.00 11.40 C ATOM 903 NE ARG X 486 2.514 -3.743 2.089 1.00 15.11 N ATOM 904 CZ ARG X 486 1.918 -4.856 2.502 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.633 -5.949 2.729 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.605 -4.878 2.688 1.00 1.14 N ATOM 0 H ARG X 486 6.105 -5.126 0.045 1.00 30.20 H new ATOM 0 HA ARG X 486 4.238 -3.483 -1.372 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.288 -3.205 0.773 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.975 -1.756 -0.162 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.454 -1.562 1.597 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.461 -2.224 0.314 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.315 -4.549 1.391 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.466 -3.537 2.814 1.00 11.40 H new ATOM 0 HE ARG X 486 1.935 -2.919 1.924 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.643 -5.936 2.587 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.173 -6.802 3.046 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.051 -4.039 2.514 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.149 -5.734 3.005 1.00 1.14 H new ATOM 917 N ILE X 487 7.370 -3.559 -2.336 1.00 12.05 N ATOM 918 CA ILE X 487 8.284 -3.162 -3.400 1.00 10.12 C ATOM 919 C ILE X 487 7.774 -3.620 -4.762 1.00 62.30 C ATOM 920 O ILE X 487 7.849 -2.882 -5.745 1.00 15.43 O ATOM 921 CB ILE X 487 9.695 -3.736 -3.173 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.298 -3.172 -1.886 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.590 -3.428 -4.365 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.322 -1.660 -1.841 1.00 35.13 C ATOM 0 H ILE X 487 7.757 -4.236 -1.678 1.00 12.05 H new ATOM 0 HA ILE X 487 8.336 -2.073 -3.382 1.00 10.12 H new ATOM 0 HB ILE X 487 9.619 -4.819 -3.071 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.728 -3.544 -1.034 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.316 -3.547 -1.777 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.584 -3.840 -4.190 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.165 -3.875 -5.264 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.663 -2.348 -4.496 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.763 -1.331 -0.900 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.916 -1.281 -2.672 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.304 -1.277 -1.918 1.00 35.13 H new ATOM 935 N LYS X 488 7.252 -4.841 -4.813 1.00 1.41 N ATOM 936 CA LYS X 488 6.725 -5.397 -6.053 1.00 43.53 C ATOM 937 C LYS X 488 5.406 -4.732 -6.430 1.00 53.44 C ATOM 938 O LYS X 488 5.176 -4.401 -7.594 1.00 72.22 O ATOM 939 CB LYS X 488 6.526 -6.908 -5.914 1.00 2.51 C ATOM 940 CG LYS X 488 5.631 -7.299 -4.751 1.00 3.34 C ATOM 941 CD LYS X 488 5.503 -8.808 -4.629 1.00 3.43 C ATOM 942 CE LYS X 488 4.651 -9.389 -5.747 1.00 41.43 C ATOM 943 NZ LYS X 488 5.040 -10.788 -6.071 1.00 22.33 N ATOM 0 H LYS X 488 7.183 -5.465 -4.009 1.00 1.41 H new ATOM 0 HA LYS X 488 7.448 -5.203 -6.845 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.097 -7.296 -6.838 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.499 -7.384 -5.789 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.037 -6.891 -3.825 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.643 -6.859 -4.887 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.494 -9.261 -4.653 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.061 -9.060 -3.665 1.00 3.43 H new ATOM 0 HE2 LYS X 488 3.601 -9.362 -5.455 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.749 -8.769 -6.638 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 4.436 -11.148 -6.837 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.034 -10.810 -6.374 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 4.922 -11.385 -5.228 1.00 22.33 H new ATOM 953 N LYS X 489 4.542 -4.539 -5.440 1.00 24.34 N ATOM 954 CA LYS X 489 3.246 -3.911 -5.667 1.00 21.32 C ATOM 955 C LYS X 489 3.413 -2.449 -6.072 1.00 63.33 C ATOM 956 O LYS X 489 2.765 -1.977 -7.007 1.00 53.33 O ATOM 957 CB LYS X 489 2.382 -4.006 -4.407 1.00 54.52 C ATOM 958 CG LYS X 489 1.259 -5.023 -4.515 1.00 54.51 C ATOM 959 CD LYS X 489 1.385 -6.107 -3.457 1.00 14.12 C ATOM 960 CE LYS X 489 0.801 -5.658 -2.127 1.00 62.31 C ATOM 961 NZ LYS X 489 1.844 -5.099 -1.223 1.00 3.10 N ATOM 0 H LYS X 489 4.716 -4.809 -4.472 1.00 24.34 H new ATOM 0 HA LYS X 489 2.751 -4.441 -6.481 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.017 -4.267 -3.560 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.954 -3.026 -4.195 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.299 -4.519 -4.408 1.00 54.51 H new ATOM 0 HG3 LYS X 489 1.272 -5.477 -5.506 1.00 54.51 H new ATOM 0 HD2 LYS X 489 0.873 -7.008 -3.795 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.435 -6.368 -3.325 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.032 -4.906 -2.304 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.314 -6.503 -1.641 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 1.418 -4.867 -0.303 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.599 -5.801 -1.088 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 2.244 -4.237 -1.646 1.00 3.10 H new ATOM 971 N TYR X 490 4.284 -1.740 -5.365 1.00 63.10 N ATOM 972 CA TYR X 490 4.535 -0.333 -5.650 1.00 65.13 C ATOM 973 C TYR X 490 5.594 -0.177 -6.737 1.00 43.30 C ATOM 974 O TYR X 490 5.902 0.934 -7.166 1.00 45.35 O ATOM 975 CB TYR X 490 4.980 0.396 -4.381 1.00 31.24 C ATOM 976 CG TYR X 490 3.900 0.489 -3.326 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.666 1.059 -3.617 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.114 0.010 -2.040 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.677 1.147 -2.657 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.129 0.093 -1.074 1.00 30.22 C ATOM 981 CZ TYR X 490 1.912 0.662 -1.387 1.00 51.31 C ATOM 982 OH TYR X 490 0.930 0.748 -0.427 1.00 54.23 O ATOM 0 H TYR X 490 4.829 -2.117 -4.589 1.00 63.10 H new ATOM 0 HA TYR X 490 3.605 0.109 -6.008 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.844 -0.119 -3.960 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.306 1.402 -4.645 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.478 1.439 -4.610 1.00 32.02 H new ATOM 0 HD2 TYR X 490 5.066 -0.435 -1.791 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.724 1.593 -2.899 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.311 -0.286 -0.079 1.00 30.22 H new ATOM 0 HH TYR X 490 0.584 -0.148 -0.231 1.00 54.23 H new ATOM 991 N GLY X 491 6.150 -1.303 -7.177 1.00 12.33 N ATOM 992 CA GLY X 491 7.170 -1.272 -8.209 1.00 73.13 C ATOM 993 C GLY X 491 8.285 -0.294 -7.894 1.00 70.25 C ATOM 994 O GLY X 491 8.723 0.459 -8.763 1.00 25.21 O ATOM 0 H GLY X 491 5.912 -2.235 -6.837 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.590 -2.270 -8.330 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.712 -1.002 -9.160 1.00 73.13 H new ATOM 998 N ILE X 492 8.745 -0.307 -6.647 1.00 33.34 N ATOM 999 CA ILE X 492 9.816 0.585 -6.221 1.00 12.35 C ATOM 1000 C ILE X 492 11.171 0.094 -6.718 1.00 73.33 C ATOM 1001 O ILE X 492 11.367 -1.100 -6.937 1.00 45.43 O ATOM 1002 CB ILE X 492 9.861 0.716 -4.687 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.449 0.905 -4.127 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.758 1.876 -4.280 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.408 1.021 -2.619 1.00 21.21 C ATOM 0 H ILE X 492 8.393 -0.925 -5.915 1.00 33.34 H new ATOM 0 HA ILE X 492 9.605 1.562 -6.656 1.00 12.35 H new ATOM 0 HB ILE X 492 10.276 -0.202 -4.271 1.00 22.54 H new ATOM 0 HG12 ILE X 492 8.010 1.802 -4.564 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.829 0.064 -4.436 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.779 1.955 -3.193 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.768 1.702 -4.651 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.370 2.802 -4.704 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.377 1.153 -2.292 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.817 0.114 -2.173 1.00 21.21 H new ATOM 0 HD13 ILE X 492 9.001 1.879 -2.304 1.00 21.21 H new ATOM 1016 N GLU X 493 12.104 1.026 -6.891 1.00 41.10 N ATOM 1017 CA GLU X 493 13.442 0.687 -7.362 1.00 52.04 C ATOM 1018 C GLU X 493 14.480 0.925 -6.268 1.00 43.33 C ATOM 1019 O GLU X 493 14.268 1.729 -5.360 1.00 63.45 O ATOM 1020 CB GLU X 493 13.794 1.510 -8.602 1.00 63.11 C ATOM 1021 CG GLU X 493 12.977 1.143 -9.830 1.00 11.52 C ATOM 1022 CD GLU X 493 12.923 2.262 -10.851 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.965 2.913 -11.074 1.00 62.13 O ATOM 1024 OE2 GLU X 493 11.838 2.486 -11.428 1.00 70.23 O ATOM 0 H GLU X 493 11.958 2.020 -6.712 1.00 41.10 H new ATOM 0 HA GLU X 493 13.450 -0.371 -7.623 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.646 2.567 -8.380 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.852 1.377 -8.827 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.404 0.254 -10.293 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.963 0.887 -9.524 1.00 11.52 H new