USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : X 456 LYS NZ :NH3+ -110:sc=-0.000307 (180deg=-0.746) USER MOD Single : X 464 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.705) USER MOD Single : X 465 THR OG1 : rot 16:sc= 0.427 USER MOD Single : X 467 TYR OH : rot 180:sc= 0 USER MOD Single : X 469 LYS NZ :NH3+ -156:sc= 0.0811 (180deg=-0.0891) USER MOD Single : X 470 SER OG : rot 180:sc= 0 USER MOD Single : X 474 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00705) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.315 USER MOD Single : X 482 GLN : amide:sc= -0.331 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+ 180:sc= 0 (180deg=0) USER MOD Single : X 489 LYS NZ :NH3+ 168:sc=-0.000651 (180deg=-0.115) USER MOD Single : X 490 TYR OH : rot 120:sc= -1.71 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.221 5.180 1.701 1.00 61.44 N ATOM 395 CA GLU X 454 2.899 3.904 1.897 1.00 4.33 C ATOM 396 C GLU X 454 4.122 3.793 0.991 1.00 54.22 C ATOM 397 O GLU X 454 5.216 3.456 1.445 1.00 33.03 O ATOM 398 CB GLU X 454 1.940 2.744 1.622 1.00 4.25 C ATOM 399 CG GLU X 454 2.476 1.393 2.063 1.00 54.45 C ATOM 400 CD GLU X 454 2.831 1.359 3.537 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.902 1.357 4.371 1.00 32.21 O ATOM 402 OE2 GLU X 454 4.038 1.335 3.855 1.00 25.31 O ATOM 0 HA GLU X 454 3.231 3.854 2.934 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.996 2.935 2.133 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.723 2.708 0.554 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.731 0.625 1.855 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.360 1.147 1.474 1.00 54.45 H new ATOM 407 N LYS X 455 3.929 4.078 -0.292 1.00 25.33 N ATOM 408 CA LYS X 455 5.014 4.012 -1.263 1.00 0.54 C ATOM 409 C LYS X 455 6.109 5.019 -0.926 1.00 62.42 C ATOM 410 O LYS X 455 7.298 4.711 -1.009 1.00 21.12 O ATOM 411 CB LYS X 455 4.481 4.275 -2.673 1.00 34.23 C ATOM 412 CG LYS X 455 5.566 4.325 -3.735 1.00 13.52 C ATOM 413 CD LYS X 455 5.856 5.752 -4.168 1.00 51.32 C ATOM 414 CE LYS X 455 7.321 6.110 -3.962 1.00 3.43 C ATOM 415 NZ LYS X 455 7.736 7.259 -4.814 1.00 10.05 N ATOM 0 H LYS X 455 3.030 4.357 -0.684 1.00 25.33 H new ATOM 0 HA LYS X 455 5.442 3.010 -1.224 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.766 3.495 -2.933 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.937 5.220 -2.676 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.477 3.869 -3.348 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.258 3.737 -4.599 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.595 5.875 -5.219 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.229 6.440 -3.601 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.491 6.355 -2.914 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.942 5.244 -4.192 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.740 7.472 -4.645 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.598 7.016 -5.816 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.161 8.092 -4.577 1.00 10.05 H new ATOM 425 N LYS X 456 5.699 6.223 -0.544 1.00 23.55 N ATOM 426 CA LYS X 456 6.644 7.277 -0.191 1.00 51.54 C ATOM 427 C LYS X 456 7.476 6.877 1.024 1.00 23.14 C ATOM 428 O LYS X 456 8.672 7.156 1.088 1.00 54.11 O ATOM 429 CB LYS X 456 5.901 8.583 0.094 1.00 65.35 C ATOM 430 CG LYS X 456 5.437 9.305 -1.160 1.00 12.34 C ATOM 431 CD LYS X 456 4.635 10.551 -0.822 1.00 41.13 C ATOM 432 CE LYS X 456 5.543 11.718 -0.469 1.00 35.30 C ATOM 433 NZ LYS X 456 5.774 11.818 0.999 1.00 61.51 N ATOM 0 H LYS X 456 4.718 6.494 -0.471 1.00 23.55 H new ATOM 0 HA LYS X 456 7.316 7.426 -1.036 1.00 51.54 H new ATOM 0 HB2 LYS X 456 5.036 8.369 0.721 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.553 9.245 0.664 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.302 9.581 -1.763 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.828 8.632 -1.764 1.00 12.34 H new ATOM 0 HD2 LYS X 456 4.006 10.821 -1.670 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.969 10.341 0.015 1.00 41.13 H new ATOM 0 HE2 LYS X 456 6.499 11.602 -0.980 1.00 35.30 H new ATOM 0 HE3 LYS X 456 5.099 12.646 -0.831 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.287 12.658 1.371 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 5.403 10.967 1.468 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 6.794 11.898 1.185 1.00 61.51 H new ATOM 443 N ARG X 457 6.832 6.221 1.985 1.00 71.11 N ATOM 444 CA ARG X 457 7.513 5.783 3.198 1.00 35.12 C ATOM 445 C ARG X 457 8.544 4.704 2.883 1.00 55.14 C ATOM 446 O ARG X 457 9.691 4.779 3.327 1.00 20.31 O ATOM 447 CB ARG X 457 6.499 5.254 4.214 1.00 21.50 C ATOM 448 CG ARG X 457 5.862 6.342 5.063 1.00 50.23 C ATOM 449 CD ARG X 457 6.806 6.821 6.154 1.00 12.04 C ATOM 450 NE ARG X 457 6.085 7.381 7.294 1.00 20.01 N ATOM 451 CZ ARG X 457 5.508 6.642 8.234 1.00 74.42 C ATOM 452 NH1 ARG X 457 5.567 5.319 8.172 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.869 7.227 9.241 1.00 51.31 N ATOM 0 H ARG X 457 5.841 5.982 1.947 1.00 71.11 H new ATOM 0 HA ARG X 457 8.031 6.642 3.625 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.715 4.713 3.684 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.994 4.537 4.869 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.581 7.183 4.428 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.945 5.963 5.514 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.424 5.989 6.490 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.480 7.574 5.746 1.00 12.04 H new ATOM 0 HE ARG X 457 6.021 8.396 7.372 1.00 20.01 H new ATOM 0 HH11 ARG X 457 6.057 4.866 7.400 1.00 71.32 H new ATOM 0 HH12 ARG X 457 5.123 4.754 8.896 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.821 8.245 9.292 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.426 6.659 9.963 1.00 51.31 H new ATOM 464 N ILE X 458 8.130 3.702 2.115 1.00 20.05 N ATOM 465 CA ILE X 458 9.018 2.609 1.741 1.00 63.42 C ATOM 466 C ILE X 458 10.242 3.127 0.991 1.00 45.00 C ATOM 467 O ILE X 458 11.378 2.864 1.384 1.00 10.42 O ATOM 468 CB ILE X 458 8.294 1.571 0.862 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.132 0.941 1.633 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.269 0.501 0.395 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.573 -0.025 2.710 1.00 74.53 C ATOM 0 H ILE X 458 7.185 3.625 1.740 1.00 20.05 H new ATOM 0 HA ILE X 458 9.337 2.131 2.667 1.00 63.42 H new ATOM 0 HB ILE X 458 7.892 2.076 -0.016 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.537 1.733 2.088 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.482 0.418 0.931 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.743 -0.225 -0.225 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.066 0.964 -0.186 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.697 -0.004 1.261 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.697 -0.432 3.214 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.142 -0.838 2.259 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.198 0.498 3.434 1.00 74.53 H new ATOM 482 N ILE X 459 10.000 3.864 -0.087 1.00 30.41 N ATOM 483 CA ILE X 459 11.083 4.421 -0.888 1.00 14.13 C ATOM 484 C ILE X 459 11.955 5.358 -0.060 1.00 54.12 C ATOM 485 O ILE X 459 13.173 5.402 -0.232 1.00 73.32 O ATOM 486 CB ILE X 459 10.542 5.188 -2.110 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.684 5.541 -3.065 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.810 6.445 -1.664 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.313 5.410 -4.525 1.00 14.20 C ATOM 0 H ILE X 459 9.065 4.089 -0.426 1.00 30.41 H new ATOM 0 HA ILE X 459 11.684 3.580 -1.233 1.00 14.13 H new ATOM 0 HB ILE X 459 9.836 4.548 -2.639 1.00 61.15 H new ATOM 0 HG12 ILE X 459 12.006 6.564 -2.871 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.535 4.894 -2.855 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.434 6.976 -2.538 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.975 6.170 -1.019 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.496 7.090 -1.115 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.170 5.676 -5.144 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.019 4.382 -4.735 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.482 6.078 -4.751 1.00 14.20 H new ATOM 500 N GLU X 460 11.324 6.102 0.842 1.00 70.03 N ATOM 501 CA GLU X 460 12.043 7.038 1.699 1.00 55.24 C ATOM 502 C GLU X 460 13.042 6.303 2.588 1.00 12.02 C ATOM 503 O GLU X 460 14.219 6.659 2.645 1.00 12.20 O ATOM 504 CB GLU X 460 11.061 7.831 2.563 1.00 64.30 C ATOM 505 CG GLU X 460 11.735 8.664 3.640 1.00 23.33 C ATOM 506 CD GLU X 460 10.837 9.766 4.173 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.480 10.669 3.388 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.494 9.723 5.373 1.00 74.02 O ATOM 0 H GLU X 460 10.316 6.075 0.999 1.00 70.03 H new ATOM 0 HA GLU X 460 12.592 7.729 1.059 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.474 8.488 1.921 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.363 7.139 3.034 1.00 64.30 H new ATOM 0 HG2 GLU X 460 12.034 8.014 4.463 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.646 9.106 3.236 1.00 23.33 H new ATOM 513 N ALA X 461 12.562 5.275 3.282 1.00 23.10 N ATOM 514 CA ALA X 461 13.412 4.489 4.167 1.00 30.24 C ATOM 515 C ALA X 461 14.555 3.837 3.395 1.00 45.21 C ATOM 516 O ALA X 461 15.705 3.852 3.838 1.00 60.24 O ATOM 517 CB ALA X 461 12.589 3.432 4.887 1.00 43.23 C ATOM 0 H ALA X 461 11.590 4.968 3.248 1.00 23.10 H new ATOM 0 HA ALA X 461 13.846 5.163 4.906 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.237 2.852 5.545 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.812 3.916 5.478 1.00 43.23 H new ATOM 0 HB3 ALA X 461 12.128 2.769 4.155 1.00 43.23 H new ATOM 523 N LEU X 462 14.232 3.266 2.241 1.00 41.14 N ATOM 524 CA LEU X 462 15.232 2.607 1.407 1.00 32.12 C ATOM 525 C LEU X 462 16.356 3.571 1.039 1.00 23.05 C ATOM 526 O LEU X 462 17.529 3.291 1.278 1.00 51.52 O ATOM 527 CB LEU X 462 14.583 2.055 0.137 1.00 22.31 C ATOM 528 CG LEU X 462 13.935 0.675 0.259 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.953 0.443 -0.878 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.999 -0.414 0.278 1.00 72.43 C ATOM 0 H LEU X 462 13.286 3.245 1.861 1.00 41.14 H new ATOM 0 HA LEU X 462 15.658 1.782 1.978 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.824 2.763 -0.196 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.341 2.010 -0.645 1.00 22.31 H new ATOM 0 HG LEU X 462 13.385 0.635 1.199 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.502 -0.544 -0.774 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.173 1.203 -0.846 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.479 0.503 -1.831 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.520 -1.389 0.365 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.576 -0.375 -0.646 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.663 -0.259 1.128 1.00 72.43 H new ATOM 541 N GLU X 463 15.986 4.709 0.460 1.00 4.01 N ATOM 542 CA GLU X 463 16.963 5.715 0.061 1.00 14.12 C ATOM 543 C GLU X 463 17.810 6.154 1.252 1.00 33.23 C ATOM 544 O GLU X 463 19.020 6.339 1.134 1.00 3.32 O ATOM 545 CB GLU X 463 16.258 6.927 -0.552 1.00 41.55 C ATOM 546 CG GLU X 463 15.355 6.578 -1.723 1.00 22.34 C ATOM 547 CD GLU X 463 15.800 7.232 -3.018 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.340 8.355 -2.960 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.606 6.617 -4.087 1.00 1.41 O ATOM 0 H GLU X 463 15.018 4.957 0.257 1.00 4.01 H new ATOM 0 HA GLU X 463 17.621 5.270 -0.686 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.665 7.420 0.219 1.00 41.55 H new ATOM 0 HB3 GLU X 463 17.009 7.644 -0.884 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.338 5.496 -1.854 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.335 6.888 -1.496 1.00 22.34 H new ATOM 554 N LYS X 464 17.162 6.317 2.401 1.00 23.51 N ATOM 555 CA LYS X 464 17.853 6.733 3.616 1.00 44.12 C ATOM 556 C LYS X 464 18.746 5.615 4.145 1.00 71.21 C ATOM 557 O LYS X 464 19.725 5.867 4.848 1.00 34.14 O ATOM 558 CB LYS X 464 16.841 7.143 4.689 1.00 41.33 C ATOM 559 CG LYS X 464 16.521 8.627 4.689 1.00 1.43 C ATOM 560 CD LYS X 464 15.690 9.019 3.479 1.00 74.45 C ATOM 561 CE LYS X 464 15.710 10.522 3.252 1.00 13.32 C ATOM 562 NZ LYS X 464 17.086 11.025 2.990 1.00 54.43 N ATOM 0 H LYS X 464 16.160 6.167 2.516 1.00 23.51 H new ATOM 0 HA LYS X 464 18.481 7.590 3.371 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.919 6.581 4.540 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.230 6.864 5.668 1.00 41.33 H new ATOM 0 HG2 LYS X 464 15.981 8.884 5.601 1.00 1.43 H new ATOM 0 HG3 LYS X 464 17.448 9.200 4.696 1.00 1.43 H new ATOM 0 HD2 LYS X 464 16.073 8.511 2.594 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.662 8.685 3.619 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.066 10.770 2.409 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.299 11.027 4.126 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 17.034 11.917 2.457 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 17.573 11.190 3.894 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 17.613 10.321 2.436 1.00 54.43 H new ATOM 572 N THR X 465 18.403 4.378 3.801 1.00 13.11 N ATOM 573 CA THR X 465 19.174 3.221 4.240 1.00 52.11 C ATOM 574 C THR X 465 20.230 2.839 3.208 1.00 75.51 C ATOM 575 O THR X 465 21.075 1.982 3.458 1.00 65.34 O ATOM 576 CB THR X 465 18.263 2.005 4.499 1.00 42.21 C ATOM 577 OG1 THR X 465 17.503 1.703 3.324 1.00 52.14 O ATOM 578 CG2 THR X 465 17.322 2.274 5.663 1.00 61.42 C ATOM 0 H THR X 465 17.596 4.151 3.220 1.00 13.11 H new ATOM 0 HA THR X 465 19.665 3.504 5.171 1.00 52.11 H new ATOM 0 HB THR X 465 18.894 1.153 4.751 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.900 2.157 2.552 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.689 1.402 5.828 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.904 2.475 6.562 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.698 3.138 5.434 1.00 61.42 H new ATOM 586 N GLY X 466 20.174 3.484 2.045 1.00 31.45 N ATOM 587 CA GLY X 466 21.133 3.198 0.993 1.00 73.12 C ATOM 588 C GLY X 466 20.654 2.110 0.054 1.00 2.02 C ATOM 589 O GLY X 466 21.433 1.254 -0.365 1.00 72.31 O ATOM 0 H GLY X 466 19.483 4.198 1.814 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.325 4.107 0.423 1.00 73.12 H new ATOM 0 HA3 GLY X 466 22.080 2.897 1.441 1.00 73.12 H new ATOM 593 N TYR X 467 19.368 2.142 -0.280 1.00 22.12 N ATOM 594 CA TYR X 467 18.786 1.148 -1.174 1.00 42.34 C ATOM 595 C TYR X 467 18.930 -0.256 -0.596 1.00 41.45 C ATOM 596 O TYR X 467 19.455 -1.158 -1.249 1.00 0.12 O ATOM 597 CB TYR X 467 19.450 1.217 -2.549 1.00 12.11 C ATOM 598 CG TYR X 467 19.338 2.573 -3.210 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.097 3.146 -3.457 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.473 3.280 -3.587 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.990 4.384 -4.059 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.375 4.519 -4.189 1.00 24.43 C ATOM 603 CZ TYR X 467 19.132 5.067 -4.423 1.00 42.32 C ATOM 604 OH TYR X 467 19.030 6.300 -5.024 1.00 45.41 O ATOM 0 H TYR X 467 18.709 2.845 0.055 1.00 22.12 H new ATOM 0 HA TYR X 467 17.724 1.370 -1.280 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.504 0.958 -2.447 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.999 0.467 -3.199 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.201 2.614 -3.173 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.449 2.853 -3.406 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.017 4.815 -4.244 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.267 5.056 -4.475 1.00 24.43 H new ATOM 0 HH TYR X 467 19.927 6.646 -5.215 1.00 45.41 H new ATOM 613 N VAL X 468 18.461 -0.433 0.635 1.00 21.22 N ATOM 614 CA VAL X 468 18.536 -1.728 1.303 1.00 11.54 C ATOM 615 C VAL X 468 17.174 -2.147 1.844 1.00 22.10 C ATOM 616 O VAL X 468 16.562 -1.433 2.638 1.00 25.15 O ATOM 617 CB VAL X 468 19.551 -1.704 2.461 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.716 -3.095 3.055 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.888 -1.155 1.986 1.00 32.52 C ATOM 0 H VAL X 468 18.025 0.303 1.190 1.00 21.22 H new ATOM 0 HA VAL X 468 18.865 -2.451 0.556 1.00 11.54 H new ATOM 0 HB VAL X 468 19.171 -1.045 3.241 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.437 -3.059 3.872 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.756 -3.445 3.434 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.074 -3.779 2.286 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.593 -1.145 2.817 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.277 -1.786 1.187 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.753 -0.140 1.613 1.00 32.52 H new ATOM 629 N LYS X 469 16.703 -3.310 1.409 1.00 2.33 N ATOM 630 CA LYS X 469 15.413 -3.828 1.850 1.00 73.34 C ATOM 631 C LYS X 469 15.448 -4.184 3.333 1.00 0.52 C ATOM 632 O LYS X 469 14.563 -3.795 4.095 1.00 43.22 O ATOM 633 CB LYS X 469 15.026 -5.059 1.028 1.00 64.33 C ATOM 634 CG LYS X 469 15.016 -4.811 -0.471 1.00 65.33 C ATOM 635 CD LYS X 469 14.877 -6.109 -1.250 1.00 74.35 C ATOM 636 CE LYS X 469 13.446 -6.623 -1.225 1.00 63.33 C ATOM 637 NZ LYS X 469 13.343 -8.004 -1.773 1.00 50.11 N ATOM 0 H LYS X 469 17.196 -3.913 0.750 1.00 2.33 H new ATOM 0 HA LYS X 469 14.666 -3.049 1.699 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.723 -5.867 1.249 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.037 -5.397 1.339 1.00 64.33 H new ATOM 0 HG2 LYS X 469 14.193 -4.143 -0.725 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.937 -4.307 -0.764 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.190 -5.951 -2.282 1.00 74.35 H new ATOM 0 HD3 LYS X 469 15.543 -6.862 -0.827 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.073 -6.610 -0.201 1.00 63.33 H new ATOM 0 HE3 LYS X 469 12.810 -5.954 -1.804 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 12.376 -8.170 -2.118 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 14.015 -8.117 -2.559 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 13.567 -8.692 -1.026 1.00 50.11 H new ATOM 647 N SER X 470 16.477 -4.924 3.735 1.00 71.13 N ATOM 648 CA SER X 470 16.625 -5.333 5.126 1.00 51.22 C ATOM 649 C SER X 470 16.565 -4.127 6.057 1.00 51.22 C ATOM 650 O SER X 470 15.789 -4.104 7.013 1.00 14.32 O ATOM 651 CB SER X 470 17.947 -6.078 5.322 1.00 52.44 C ATOM 652 OG SER X 470 17.836 -7.431 4.916 1.00 5.24 O ATOM 0 H SER X 470 17.219 -5.252 3.117 1.00 71.13 H new ATOM 0 HA SER X 470 15.799 -6.001 5.372 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.733 -5.587 4.749 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.241 -6.033 6.371 1.00 52.44 H new ATOM 0 HG SER X 470 18.695 -7.884 5.050 1.00 5.24 H new ATOM 657 N ARG X 471 17.391 -3.126 5.773 1.00 75.24 N ATOM 658 CA ARG X 471 17.433 -1.915 6.584 1.00 11.02 C ATOM 659 C ARG X 471 16.113 -1.156 6.499 1.00 64.24 C ATOM 660 O ARG X 471 15.538 -0.775 7.518 1.00 23.30 O ATOM 661 CB ARG X 471 18.583 -1.013 6.133 1.00 3.34 C ATOM 662 CG ARG X 471 19.958 -1.625 6.344 1.00 74.42 C ATOM 663 CD ARG X 471 21.010 -0.945 5.480 1.00 11.42 C ATOM 664 NE ARG X 471 22.308 -0.886 6.145 1.00 42.13 N ATOM 665 CZ ARG X 471 23.424 -0.483 5.545 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.397 -0.105 4.275 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.568 -0.458 6.217 1.00 13.40 N ATOM 0 H ARG X 471 18.041 -3.129 4.987 1.00 75.24 H new ATOM 0 HA ARG X 471 17.596 -2.209 7.621 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.457 -0.780 5.076 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.528 -0.070 6.676 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.238 -1.540 7.394 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.924 -2.689 6.108 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.109 -1.484 4.538 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.681 0.065 5.236 1.00 11.42 H new ATOM 0 HE ARG X 471 22.362 -1.169 7.123 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.519 -0.123 3.756 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.254 0.204 3.816 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.592 -0.748 7.195 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.424 -0.149 5.756 1.00 13.40 H new ATOM 678 N ALA X 472 15.638 -0.941 5.276 1.00 63.50 N ATOM 679 CA ALA X 472 14.385 -0.230 5.058 1.00 51.02 C ATOM 680 C ALA X 472 13.239 -0.892 5.814 1.00 14.44 C ATOM 681 O ALA X 472 12.331 -0.218 6.300 1.00 62.31 O ATOM 682 CB ALA X 472 14.069 -0.161 3.572 1.00 12.21 C ATOM 0 H ALA X 472 16.102 -1.249 4.422 1.00 63.50 H new ATOM 0 HA ALA X 472 14.500 0.784 5.441 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.130 0.373 3.424 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.871 0.365 3.054 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.979 -1.171 3.172 1.00 12.21 H new ATOM 688 N ALA X 473 13.286 -2.217 5.909 1.00 33.12 N ATOM 689 CA ALA X 473 12.251 -2.971 6.606 1.00 5.31 C ATOM 690 C ALA X 473 12.349 -2.769 8.115 1.00 1.25 C ATOM 691 O ALA X 473 11.366 -2.419 8.769 1.00 50.13 O ATOM 692 CB ALA X 473 12.353 -4.450 6.262 1.00 61.31 C ATOM 0 H ALA X 473 14.030 -2.791 5.512 1.00 33.12 H new ATOM 0 HA ALA X 473 11.281 -2.599 6.277 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.574 -5.001 6.789 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.227 -4.583 5.187 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.331 -4.827 6.562 1.00 61.31 H new ATOM 698 N LYS X 474 13.539 -2.992 8.662 1.00 62.03 N ATOM 699 CA LYS X 474 13.765 -2.834 10.093 1.00 24.40 C ATOM 700 C LYS X 474 13.544 -1.387 10.523 1.00 54.40 C ATOM 701 O LYS X 474 13.114 -1.120 11.646 1.00 74.45 O ATOM 702 CB LYS X 474 15.184 -3.275 10.458 1.00 34.32 C ATOM 703 CG LYS X 474 16.191 -2.138 10.466 1.00 3.21 C ATOM 704 CD LYS X 474 17.619 -2.657 10.460 1.00 54.32 C ATOM 705 CE LYS X 474 18.210 -2.679 11.862 1.00 20.00 C ATOM 706 NZ LYS X 474 18.594 -1.317 12.323 1.00 3.13 N ATOM 0 H LYS X 474 14.362 -3.283 8.135 1.00 62.03 H new ATOM 0 HA LYS X 474 13.049 -3.464 10.620 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.168 -3.742 11.443 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.513 -4.035 9.750 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.030 -1.503 9.595 1.00 3.21 H new ATOM 0 HG3 LYS X 474 16.033 -1.517 11.347 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.640 -3.662 10.039 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.233 -2.029 9.815 1.00 54.32 H new ATOM 0 HE2 LYS X 474 17.485 -3.106 12.555 1.00 20.00 H new ATOM 0 HE3 LYS X 474 19.086 -3.328 11.877 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.099 -1.387 13.229 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.213 -0.872 11.615 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 17.739 -0.739 12.447 1.00 3.13 H new ATOM 716 N LEU X 475 13.842 -0.457 9.623 1.00 10.44 N ATOM 717 CA LEU X 475 13.675 0.964 9.908 1.00 74.31 C ATOM 718 C LEU X 475 12.198 1.346 9.932 1.00 24.12 C ATOM 719 O LEU X 475 11.724 1.981 10.875 1.00 74.13 O ATOM 720 CB LEU X 475 14.413 1.805 8.865 1.00 52.05 C ATOM 721 CG LEU X 475 14.892 3.181 9.328 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.761 3.831 8.263 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.706 4.072 9.668 1.00 53.02 C ATOM 0 H LEU X 475 14.200 -0.661 8.690 1.00 10.44 H new ATOM 0 HA LEU X 475 14.099 1.163 10.892 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.278 1.240 8.518 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.755 1.941 8.006 1.00 52.05 H new ATOM 0 HG LEU X 475 15.493 3.051 10.228 1.00 5.43 H new ATOM 0 HD11 LEU X 475 16.092 4.809 8.611 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.630 3.202 8.068 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.185 3.948 7.345 1.00 24.51 H new ATOM 0 HD21 LEU X 475 14.066 5.047 9.996 1.00 53.02 H new ATOM 0 HD22 LEU X 475 13.078 4.195 8.785 1.00 53.02 H new ATOM 0 HD23 LEU X 475 13.123 3.613 10.467 1.00 53.02 H new ATOM 734 N LEU X 476 11.474 0.951 8.890 1.00 14.12 N ATOM 735 CA LEU X 476 10.050 1.249 8.791 1.00 2.33 C ATOM 736 C LEU X 476 9.261 0.498 9.859 1.00 41.31 C ATOM 737 O LEU X 476 8.368 1.056 10.495 1.00 65.41 O ATOM 738 CB LEU X 476 9.526 0.881 7.402 1.00 21.22 C ATOM 739 CG LEU X 476 9.932 1.817 6.263 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.954 1.068 4.939 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.986 3.007 6.188 1.00 71.10 C ATOM 0 H LEU X 476 11.850 0.424 8.102 1.00 14.12 H new ATOM 0 HA LEU X 476 9.917 2.319 8.951 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.871 -0.124 7.160 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.437 0.843 7.444 1.00 21.22 H new ATOM 0 HG LEU X 476 10.937 2.188 6.464 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.245 1.750 4.140 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.671 0.249 4.996 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.962 0.668 4.731 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.290 3.663 5.372 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.970 2.654 6.011 1.00 71.10 H new ATOM 0 HD23 LEU X 476 9.019 3.558 7.128 1.00 71.10 H new ATOM 752 N GLY X 477 9.599 -0.774 10.053 1.00 45.23 N ATOM 753 CA GLY X 477 8.915 -1.581 11.047 1.00 22.13 C ATOM 754 C GLY X 477 8.218 -2.782 10.438 1.00 61.31 C ATOM 755 O GLY X 477 7.301 -3.345 11.037 1.00 35.21 O ATOM 0 H GLY X 477 10.334 -1.260 9.539 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.634 -1.921 11.792 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.182 -0.965 11.569 1.00 22.13 H new ATOM 759 N TYR X 478 8.654 -3.174 9.246 1.00 41.35 N ATOM 760 CA TYR X 478 8.062 -4.314 8.554 1.00 51.13 C ATOM 761 C TYR X 478 9.105 -5.399 8.304 1.00 65.31 C ATOM 762 O TYR X 478 10.309 -5.143 8.347 1.00 40.51 O ATOM 763 CB TYR X 478 7.445 -3.868 7.228 1.00 71.43 C ATOM 764 CG TYR X 478 6.615 -2.609 7.339 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.743 -2.420 8.404 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.704 -1.609 6.380 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.981 -1.272 8.508 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.948 -0.456 6.477 1.00 51.13 C ATOM 769 CZ TYR X 478 5.089 -0.293 7.543 1.00 63.32 C ATOM 770 OH TYR X 478 4.334 0.853 7.644 1.00 43.33 O ATOM 0 H TYR X 478 9.414 -2.720 8.739 1.00 41.35 H new ATOM 0 HA TYR X 478 7.279 -4.727 9.190 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.242 -3.705 6.503 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.820 -4.672 6.839 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.659 -3.183 9.163 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.376 -1.734 5.544 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.305 -1.142 9.340 1.00 15.11 H new ATOM 0 HE2 TYR X 478 6.030 0.312 5.722 1.00 51.13 H new ATOM 0 HH TYR X 478 4.529 1.441 6.885 1.00 43.33 H new ATOM 779 N THR X 479 8.635 -6.614 8.041 1.00 31.11 N ATOM 780 CA THR X 479 9.524 -7.739 7.783 1.00 32.34 C ATOM 781 C THR X 479 9.881 -7.831 6.304 1.00 71.23 C ATOM 782 O THR X 479 9.239 -7.205 5.460 1.00 3.54 O ATOM 783 CB THR X 479 8.890 -9.070 8.231 1.00 31.32 C ATOM 784 OG1 THR X 479 9.781 -10.156 7.951 1.00 41.35 O ATOM 785 CG2 THR X 479 7.563 -9.301 7.523 1.00 33.32 C ATOM 0 H THR X 479 7.642 -6.844 8.001 1.00 31.11 H new ATOM 0 HA THR X 479 10.431 -7.564 8.362 1.00 32.34 H new ATOM 0 HB THR X 479 8.708 -9.018 9.304 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.371 -10.998 8.240 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.133 -10.246 7.855 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.877 -8.488 7.761 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.726 -9.335 6.446 1.00 33.32 H new ATOM 793 N LEU X 480 10.907 -8.615 5.996 1.00 51.22 N ATOM 794 CA LEU X 480 11.349 -8.790 4.617 1.00 73.24 C ATOM 795 C LEU X 480 10.177 -9.148 3.710 1.00 73.11 C ATOM 796 O LEU X 480 10.110 -8.708 2.562 1.00 12.40 O ATOM 797 CB LEU X 480 12.421 -9.880 4.538 1.00 54.35 C ATOM 798 CG LEU X 480 13.040 -10.113 3.160 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.478 -10.591 3.294 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.215 -11.118 2.368 1.00 24.30 C ATOM 0 H LEU X 480 11.449 -9.140 6.682 1.00 51.22 H new ATOM 0 HA LEU X 480 11.773 -7.846 4.276 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.220 -9.627 5.235 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.983 -10.818 4.881 1.00 54.35 H new ATOM 0 HG LEU X 480 13.042 -9.166 2.619 1.00 42.31 H new ATOM 0 HD11 LEU X 480 14.902 -10.752 2.303 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.064 -9.838 3.822 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.500 -11.526 3.854 1.00 10.34 H new ATOM 0 HD21 LEU X 480 12.670 -11.272 1.390 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.182 -12.066 2.906 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.202 -10.737 2.241 1.00 24.30 H new ATOM 811 N ARG X 481 9.254 -9.949 4.233 1.00 60.01 N ATOM 812 CA ARG X 481 8.083 -10.364 3.472 1.00 5.23 C ATOM 813 C ARG X 481 7.176 -9.173 3.174 1.00 63.40 C ATOM 814 O ARG X 481 6.791 -8.947 2.027 1.00 34.21 O ATOM 815 CB ARG X 481 7.302 -11.434 4.238 1.00 22.32 C ATOM 816 CG ARG X 481 6.426 -12.303 3.351 1.00 15.42 C ATOM 817 CD ARG X 481 6.064 -13.611 4.036 1.00 33.20 C ATOM 818 NE ARG X 481 4.804 -14.158 3.539 1.00 11.02 N ATOM 819 CZ ARG X 481 4.302 -15.323 3.933 1.00 23.35 C ATOM 820 NH1 ARG X 481 4.950 -16.060 4.825 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.149 -15.753 3.436 1.00 54.34 N ATOM 0 H ARG X 481 9.295 -10.323 5.181 1.00 60.01 H new ATOM 0 HA ARG X 481 8.427 -10.782 2.526 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.006 -12.071 4.774 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.677 -10.948 4.987 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.516 -11.761 3.094 1.00 15.42 H new ATOM 0 HG3 ARG X 481 6.947 -12.512 2.417 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.862 -14.336 3.877 1.00 33.20 H new ATOM 0 HD3 ARG X 481 5.990 -13.449 5.111 1.00 33.20 H new ATOM 0 HE ARG X 481 4.281 -13.616 2.852 1.00 11.02 H new ATOM 0 HH11 ARG X 481 5.836 -15.733 5.210 1.00 64.23 H new ATOM 0 HH12 ARG X 481 4.562 -16.954 5.126 1.00 64.23 H new ATOM 0 HH21 ARG X 481 2.647 -15.189 2.750 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.765 -16.648 3.740 1.00 54.34 H new ATOM 832 N GLN X 482 6.839 -8.418 4.215 1.00 43.45 N ATOM 833 CA GLN X 482 5.977 -7.251 4.064 1.00 74.43 C ATOM 834 C GLN X 482 6.613 -6.221 3.136 1.00 15.22 C ATOM 835 O GLN X 482 6.006 -5.799 2.150 1.00 24.12 O ATOM 836 CB GLN X 482 5.694 -6.621 5.428 1.00 61.30 C ATOM 837 CG GLN X 482 4.768 -7.452 6.302 1.00 11.44 C ATOM 838 CD GLN X 482 3.507 -7.878 5.577 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.733 -7.041 5.111 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.293 -9.185 5.478 1.00 62.51 N ATOM 0 H GLN X 482 7.149 -8.593 5.171 1.00 43.45 H new ATOM 0 HA GLN X 482 5.037 -7.579 3.621 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.638 -6.471 5.953 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.252 -5.636 5.279 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.300 -8.338 6.649 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.497 -6.877 7.187 1.00 11.44 H new ATOM 0 HE21 GLN X 482 3.961 -9.843 5.879 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.460 -9.531 5.001 1.00 62.51 H new ATOM 847 N LEU X 483 7.838 -5.819 3.458 1.00 30.43 N ATOM 848 CA LEU X 483 8.556 -4.837 2.653 1.00 23.25 C ATOM 849 C LEU X 483 8.612 -5.267 1.191 1.00 43.34 C ATOM 850 O LEU X 483 8.250 -4.503 0.295 1.00 12.42 O ATOM 851 CB LEU X 483 9.973 -4.644 3.194 1.00 32.11 C ATOM 852 CG LEU X 483 10.709 -3.392 2.718 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.559 -2.266 3.730 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.180 -3.698 2.474 1.00 65.25 C ATOM 0 H LEU X 483 8.354 -6.158 4.270 1.00 30.43 H new ATOM 0 HA LEU X 483 8.018 -3.891 2.714 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.924 -4.621 4.283 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.567 -5.516 2.920 1.00 32.11 H new ATOM 0 HG LEU X 483 10.264 -3.069 1.777 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.090 -1.383 3.373 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.503 -2.028 3.856 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.977 -2.579 4.687 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.688 -2.795 2.136 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.638 -4.047 3.400 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.269 -4.472 1.712 1.00 65.25 H new ATOM 865 N ASP X 484 9.065 -6.493 0.957 1.00 4.40 N ATOM 866 CA ASP X 484 9.165 -7.026 -0.397 1.00 74.33 C ATOM 867 C ASP X 484 7.830 -6.912 -1.126 1.00 23.13 C ATOM 868 O ASP X 484 7.775 -6.480 -2.277 1.00 2.41 O ATOM 869 CB ASP X 484 9.618 -8.487 -0.360 1.00 53.22 C ATOM 870 CG ASP X 484 9.865 -9.052 -1.744 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.195 -8.264 -2.656 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.725 -10.281 -1.919 1.00 12.45 O ATOM 0 H ASP X 484 9.369 -7.137 1.687 1.00 4.40 H new ATOM 0 HA ASP X 484 9.905 -6.438 -0.939 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.531 -8.566 0.230 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.860 -9.087 0.144 1.00 53.22 H new ATOM 876 N TYR X 485 6.756 -7.304 -0.447 1.00 62.24 N ATOM 877 CA TYR X 485 5.422 -7.249 -1.032 1.00 54.52 C ATOM 878 C TYR X 485 5.069 -5.825 -1.452 1.00 35.33 C ATOM 879 O TYR X 485 4.402 -5.612 -2.465 1.00 43.32 O ATOM 880 CB TYR X 485 4.384 -7.770 -0.036 1.00 42.42 C ATOM 881 CG TYR X 485 3.171 -8.387 -0.694 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.274 -9.567 -1.420 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.921 -7.790 -0.588 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.167 -10.133 -2.024 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.809 -8.351 -1.187 1.00 35.54 C ATOM 886 CZ TYR X 485 0.938 -9.522 -1.904 1.00 72.11 C ATOM 887 OH TYR X 485 -0.167 -10.082 -2.502 1.00 32.54 O ATOM 0 H TYR X 485 6.784 -7.663 0.507 1.00 62.24 H new ATOM 0 HA TYR X 485 5.416 -7.882 -1.919 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.853 -8.512 0.610 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.062 -6.948 0.603 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.235 -10.050 -1.514 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.817 -6.872 -0.028 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.265 -11.049 -2.587 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.156 -7.875 -1.094 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.954 -9.527 -2.320 1.00 32.54 H new ATOM 896 N ARG X 486 5.522 -4.855 -0.666 1.00 30.20 N ATOM 897 CA ARG X 486 5.255 -3.451 -0.955 1.00 23.23 C ATOM 898 C ARG X 486 6.070 -2.978 -2.155 1.00 23.24 C ATOM 899 O ARG X 486 5.583 -2.205 -2.982 1.00 73.10 O ATOM 900 CB ARG X 486 5.578 -2.586 0.266 1.00 32.34 C ATOM 901 CG ARG X 486 4.388 -2.361 1.184 1.00 43.42 C ATOM 902 CD ARG X 486 4.288 -3.447 2.243 1.00 11.40 C ATOM 903 NE ARG X 486 3.114 -3.275 3.095 1.00 15.11 N ATOM 904 CZ ARG X 486 1.872 -3.513 2.690 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.643 -3.932 1.453 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.855 -3.334 3.524 1.00 1.14 N ATOM 0 H ARG X 486 6.075 -5.015 0.176 1.00 30.20 H new ATOM 0 HA ARG X 486 4.196 -3.351 -1.194 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.380 -3.058 0.834 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.953 -1.620 -0.072 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.478 -1.388 1.667 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.471 -2.341 0.595 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.245 -4.423 1.759 1.00 11.40 H new ATOM 0 HD3 ARG X 486 5.187 -3.437 2.859 1.00 11.40 H new ATOM 0 HE ARG X 486 3.256 -2.955 4.053 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.422 -4.072 0.810 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.688 -4.114 1.145 1.00 34.32 H new ATOM 0 HH21 ARG X 486 1.027 -3.013 4.477 1.00 1.14 H new ATOM 0 HH22 ARG X 486 -0.099 -3.517 3.212 1.00 1.14 H new ATOM 917 N ILE X 487 7.309 -3.445 -2.244 1.00 12.05 N ATOM 918 CA ILE X 487 8.191 -3.071 -3.343 1.00 10.12 C ATOM 919 C ILE X 487 7.646 -3.568 -4.678 1.00 62.30 C ATOM 920 O ILE X 487 7.697 -2.860 -5.685 1.00 15.43 O ATOM 921 CB ILE X 487 9.611 -3.630 -3.142 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.235 -3.053 -1.869 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.480 -3.319 -4.352 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.265 -1.541 -1.844 1.00 35.13 C ATOM 0 H ILE X 487 7.726 -4.084 -1.568 1.00 12.05 H new ATOM 0 HA ILE X 487 8.237 -1.982 -3.353 1.00 10.12 H new ATOM 0 HB ILE X 487 9.547 -4.713 -3.034 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.676 -3.412 -1.005 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.253 -3.430 -1.769 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.481 -3.721 -4.194 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.042 -3.774 -5.241 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.540 -2.239 -4.489 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.720 -1.201 -0.914 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.849 -1.175 -2.688 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.248 -1.156 -1.912 1.00 35.13 H new ATOM 935 N LYS X 488 7.121 -4.788 -4.679 1.00 1.41 N ATOM 936 CA LYS X 488 6.561 -5.380 -5.889 1.00 43.53 C ATOM 937 C LYS X 488 5.219 -4.745 -6.235 1.00 53.44 C ATOM 938 O LYS X 488 4.920 -4.496 -7.403 1.00 72.22 O ATOM 939 CB LYS X 488 6.392 -6.891 -5.711 1.00 2.51 C ATOM 940 CG LYS X 488 5.522 -7.270 -4.526 1.00 3.34 C ATOM 941 CD LYS X 488 5.423 -8.778 -4.366 1.00 3.43 C ATOM 942 CE LYS X 488 4.754 -9.423 -5.570 1.00 41.43 C ATOM 943 NZ LYS X 488 4.617 -10.897 -5.404 1.00 22.33 N ATOM 0 H LYS X 488 7.071 -5.387 -3.855 1.00 1.41 H new ATOM 0 HA LYS X 488 7.254 -5.192 -6.709 1.00 43.53 H new ATOM 0 HB2 LYS X 488 5.957 -7.309 -6.619 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.375 -7.346 -5.590 1.00 2.51 H new ATOM 0 HG2 LYS X 488 5.934 -6.833 -3.616 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.524 -6.851 -4.657 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.420 -9.197 -4.235 1.00 3.43 H new ATOM 0 HD3 LYS X 488 4.857 -9.013 -3.465 1.00 3.43 H new ATOM 0 HE2 LYS X 488 3.769 -8.981 -5.718 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.337 -9.211 -6.466 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 4.157 -11.300 -6.245 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 5.559 -11.322 -5.288 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 4.040 -11.099 -4.563 1.00 22.33 H new ATOM 953 N LYS X 489 4.411 -4.483 -5.213 1.00 24.34 N ATOM 954 CA LYS X 489 3.101 -3.874 -5.407 1.00 21.32 C ATOM 955 C LYS X 489 3.237 -2.430 -5.879 1.00 63.33 C ATOM 956 O LYS X 489 2.548 -2.002 -6.804 1.00 53.33 O ATOM 957 CB LYS X 489 2.294 -3.925 -4.108 1.00 54.52 C ATOM 958 CG LYS X 489 1.278 -5.053 -4.066 1.00 54.51 C ATOM 959 CD LYS X 489 1.948 -6.412 -4.190 1.00 14.12 C ATOM 960 CE LYS X 489 0.927 -7.520 -4.398 1.00 62.31 C ATOM 961 NZ LYS X 489 0.325 -7.471 -5.759 1.00 3.10 N ATOM 0 H LYS X 489 4.642 -4.684 -4.240 1.00 24.34 H new ATOM 0 HA LYS X 489 2.575 -4.440 -6.176 1.00 21.32 H new ATOM 0 HB2 LYS X 489 2.980 -4.034 -3.268 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.776 -2.975 -3.975 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.719 -5.006 -3.131 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.558 -4.926 -4.875 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.648 -6.399 -5.026 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.529 -6.616 -3.291 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.405 -8.488 -4.247 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.140 -7.434 -3.649 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.206 -8.348 -5.935 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.319 -6.657 -5.825 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.079 -7.374 -6.469 1.00 3.10 H new ATOM 971 N TYR X 490 4.130 -1.685 -5.237 1.00 63.10 N ATOM 972 CA TYR X 490 4.355 -0.288 -5.589 1.00 65.13 C ATOM 973 C TYR X 490 5.402 -0.167 -6.693 1.00 43.30 C ATOM 974 O TYR X 490 5.690 0.928 -7.174 1.00 45.35 O ATOM 975 CB TYR X 490 4.801 0.504 -4.360 1.00 31.24 C ATOM 976 CG TYR X 490 3.756 0.568 -3.268 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.500 1.109 -3.513 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.024 0.086 -1.994 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.543 1.170 -2.518 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.072 0.140 -0.994 1.00 30.22 C ATOM 981 CZ TYR X 490 1.833 0.683 -1.262 1.00 51.31 C ATOM 982 OH TYR X 490 0.882 0.742 -0.269 1.00 54.23 O ATOM 0 H TYR X 490 4.710 -2.025 -4.470 1.00 63.10 H new ATOM 0 HA TYR X 490 3.415 0.124 -5.957 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.708 0.053 -3.957 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.058 1.518 -4.665 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.268 1.488 -4.497 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.994 -0.339 -1.781 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.573 1.597 -2.724 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.297 -0.241 -0.009 1.00 30.22 H new ATOM 0 HH TYR X 490 0.679 -0.164 0.044 1.00 54.23 H new ATOM 991 N GLY X 491 5.968 -1.303 -7.090 1.00 12.33 N ATOM 992 CA GLY X 491 6.977 -1.304 -8.134 1.00 73.13 C ATOM 993 C GLY X 491 8.088 -0.308 -7.868 1.00 70.25 C ATOM 994 O GLY X 491 8.507 0.418 -8.770 1.00 25.21 O ATOM 0 H GLY X 491 5.746 -2.222 -6.708 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.403 -2.303 -8.222 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.507 -1.072 -9.090 1.00 73.13 H new ATOM 998 N ILE X 492 8.563 -0.271 -6.629 1.00 33.34 N ATOM 999 CA ILE X 492 9.631 0.644 -6.247 1.00 12.35 C ATOM 1000 C ILE X 492 10.980 0.163 -6.769 1.00 73.33 C ATOM 1001 O ILE X 492 11.186 -1.033 -6.973 1.00 45.43 O ATOM 1002 CB ILE X 492 9.714 0.807 -4.718 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.316 1.007 -4.127 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.618 1.977 -4.358 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.310 1.139 -2.620 1.00 21.21 C ATOM 0 H ILE X 492 8.225 -0.864 -5.871 1.00 33.34 H new ATOM 0 HA ILE X 492 9.394 1.609 -6.695 1.00 12.35 H new ATOM 0 HB ILE X 492 10.141 -0.102 -4.294 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.870 1.901 -4.564 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.686 0.165 -4.412 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.666 2.079 -3.274 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.619 1.798 -4.751 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.217 2.893 -4.791 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.287 1.278 -2.271 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.726 0.236 -2.174 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.913 1.999 -2.328 1.00 21.21 H new ATOM 1016 N GLU X 493 11.896 1.103 -6.982 1.00 41.10 N ATOM 1017 CA GLU X 493 13.226 0.774 -7.480 1.00 52.04 C ATOM 1018 C GLU X 493 14.251 0.793 -6.349 1.00 43.33 C ATOM 1019 O GLU X 493 13.981 1.303 -5.260 1.00 63.45 O ATOM 1020 CB GLU X 493 13.643 1.756 -8.577 1.00 63.11 C ATOM 1021 CG GLU X 493 12.693 1.784 -9.761 1.00 11.52 C ATOM 1022 CD GLU X 493 12.758 3.089 -10.531 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.881 3.529 -10.855 1.00 62.13 O ATOM 1024 OE2 GLU X 493 11.688 3.669 -10.809 1.00 70.23 O ATOM 0 H GLU X 493 11.741 2.098 -6.817 1.00 41.10 H new ATOM 0 HA GLU X 493 13.190 -0.232 -7.898 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.709 2.757 -8.151 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.641 1.493 -8.928 1.00 63.11 H new ATOM 0 HG2 GLU X 493 12.930 0.958 -10.432 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.674 1.625 -9.408 1.00 11.52 H new