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+ 157:sc= -0.314 (180deg=-0.877) 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= 0.384 USER MOD Single : X 467 TYR OH : rot 180:sc= 0 USER MOD Single : X 469 LYS NZ :NH3+ 174:sc= -0.37 (180deg=-0.438) USER MOD Single : X 470 SER OG : rot 180:sc= 0 USER MOD Single : X 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.309 USER MOD Single : X 482 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.29) 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+ 167:sc=-0.00665 (180deg=-0.139) USER MOD Single : X 490 TYR OH : rot 110:sc= -2.02 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.197 4.907 1.596 1.00 61.44 N ATOM 395 CA GLU X 454 2.895 3.644 1.807 1.00 4.33 C ATOM 396 C GLU X 454 4.133 3.552 0.920 1.00 54.22 C ATOM 397 O GLU X 454 5.228 3.240 1.391 1.00 33.03 O ATOM 398 CB GLU X 454 1.961 2.467 1.519 1.00 4.25 C ATOM 399 CG GLU X 454 2.418 1.160 2.147 1.00 54.45 C ATOM 400 CD GLU X 454 1.265 0.224 2.451 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.177 0.720 2.814 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.449 -1.005 2.328 1.00 32.21 O ATOM 0 HA GLU X 454 3.212 3.603 2.849 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.963 2.707 1.886 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.880 2.333 0.440 1.00 4.25 H new ATOM 0 HG2 GLU X 454 3.117 0.663 1.474 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.960 1.374 3.068 1.00 54.45 H new ATOM 407 N LYS X 455 3.954 3.827 -0.368 1.00 25.33 N ATOM 408 CA LYS X 455 5.055 3.777 -1.322 1.00 0.54 C ATOM 409 C LYS X 455 6.122 4.811 -0.976 1.00 62.42 C ATOM 410 O LYS X 455 7.319 4.529 -1.042 1.00 21.12 O ATOM 411 CB LYS X 455 4.538 4.018 -2.741 1.00 34.23 C ATOM 412 CG LYS X 455 5.621 3.946 -3.804 1.00 13.52 C ATOM 413 CD LYS X 455 5.899 5.311 -4.410 1.00 51.32 C ATOM 414 CE LYS X 455 7.082 5.989 -3.734 1.00 3.43 C ATOM 415 NZ LYS X 455 7.823 6.876 -4.673 1.00 10.05 N ATOM 0 H LYS X 455 3.056 4.087 -0.775 1.00 25.33 H new ATOM 0 HA LYS X 455 5.504 2.785 -1.269 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.768 3.281 -2.968 1.00 34.23 H new ATOM 0 HB3 LYS X 455 4.063 4.998 -2.784 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.536 3.548 -3.366 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.316 3.254 -4.589 1.00 13.52 H new ATOM 0 HD2 LYS X 455 6.100 5.203 -5.476 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.014 5.940 -4.314 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.729 6.574 -2.884 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.759 5.231 -3.340 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.346 7.594 -4.132 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.491 6.308 -5.232 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.150 7.346 -5.311 1.00 10.05 H new ATOM 425 N LYS X 456 5.681 6.009 -0.607 1.00 23.55 N ATOM 426 CA LYS X 456 6.597 7.085 -0.247 1.00 51.54 C ATOM 427 C LYS X 456 7.430 6.706 0.974 1.00 23.14 C ATOM 428 O LYS X 456 8.619 7.015 1.046 1.00 54.11 O ATOM 429 CB LYS X 456 5.819 8.373 0.032 1.00 65.35 C ATOM 430 CG LYS X 456 5.388 9.107 -1.225 1.00 12.34 C ATOM 431 CD LYS X 456 4.530 10.318 -0.897 1.00 41.13 C ATOM 432 CE LYS X 456 4.363 11.227 -2.105 1.00 35.30 C ATOM 433 NZ LYS X 456 3.161 12.096 -1.983 1.00 61.51 N ATOM 0 H LYS X 456 4.694 6.259 -0.549 1.00 23.55 H new ATOM 0 HA LYS X 456 7.272 7.250 -1.087 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.935 8.133 0.624 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.437 9.037 0.637 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.269 9.425 -1.782 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.830 8.429 -1.870 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.551 9.988 -0.551 1.00 41.13 H new ATOM 0 HD3 LYS X 456 4.985 10.877 -0.080 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.251 11.849 -2.217 1.00 35.30 H new ATOM 0 HE3 LYS X 456 4.283 10.621 -3.007 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 3.082 12.700 -2.826 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 2.311 11.503 -1.902 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.249 12.693 -1.136 1.00 61.51 H new ATOM 443 N ARG X 457 6.796 6.035 1.931 1.00 71.11 N ATOM 444 CA ARG X 457 7.479 5.614 3.149 1.00 35.12 C ATOM 445 C ARG X 457 8.532 4.553 2.842 1.00 55.14 C ATOM 446 O ARG X 457 9.674 4.650 3.295 1.00 20.31 O ATOM 447 CB ARG X 457 6.470 5.069 4.161 1.00 21.50 C ATOM 448 CG ARG X 457 5.745 6.153 4.943 1.00 50.23 C ATOM 449 CD ARG X 457 6.666 6.826 5.947 1.00 12.04 C ATOM 450 NE ARG X 457 6.018 7.951 6.617 1.00 20.01 N ATOM 451 CZ ARG X 457 6.670 8.841 7.356 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.982 8.738 7.520 1.00 71.32 N ATOM 453 NH2 ARG X 457 6.009 9.837 7.933 1.00 51.31 N ATOM 0 H ARG X 457 5.812 5.772 1.886 1.00 71.11 H new ATOM 0 HA ARG X 457 7.978 6.484 3.576 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.735 4.459 3.636 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.988 4.413 4.861 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.350 6.899 4.253 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.892 5.718 5.464 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.986 6.096 6.691 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.564 7.176 5.437 1.00 12.04 H new ATOM 0 HE ARG X 457 5.009 8.059 6.511 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.493 7.974 7.078 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.480 9.423 8.088 1.00 71.32 H new ATOM 0 HH21 ARG X 457 5.000 9.919 7.809 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.510 10.520 8.501 1.00 51.31 H new ATOM 464 N ILE X 458 8.141 3.543 2.073 1.00 20.05 N ATOM 465 CA ILE X 458 9.051 2.465 1.706 1.00 63.42 C ATOM 466 C ILE X 458 10.266 3.003 0.957 1.00 45.00 C ATOM 467 O ILE X 458 11.408 2.761 1.351 1.00 10.42 O ATOM 468 CB ILE X 458 8.350 1.409 0.833 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.192 0.768 1.600 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.345 0.350 0.382 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.641 -0.189 2.683 1.00 74.53 C ATOM 0 H ILE X 458 7.200 3.448 1.692 1.00 20.05 H new ATOM 0 HA ILE X 458 9.377 1.997 2.635 1.00 63.42 H new ATOM 0 HB ILE X 458 7.946 1.901 -0.052 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.585 1.554 2.050 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.552 0.234 0.897 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.834 -0.390 -0.234 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.139 0.820 -0.198 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.775 -0.140 1.255 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.768 -0.606 3.185 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.223 -0.996 2.237 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.256 0.344 3.408 1.00 74.53 H new ATOM 482 N ILE X 459 10.012 3.734 -0.123 1.00 30.41 N ATOM 483 CA ILE X 459 11.085 4.308 -0.925 1.00 14.13 C ATOM 484 C ILE X 459 11.940 5.263 -0.098 1.00 54.12 C ATOM 485 O ILE X 459 13.158 5.323 -0.264 1.00 73.32 O ATOM 486 CB ILE X 459 10.532 5.062 -2.148 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.668 5.434 -3.104 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.775 6.307 -1.707 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.327 5.221 -4.561 1.00 14.20 C ATOM 0 H ILE X 459 9.073 3.943 -0.463 1.00 30.41 H new ATOM 0 HA ILE X 459 11.701 3.477 -1.268 1.00 14.13 H new ATOM 0 HB ILE X 459 9.839 4.407 -2.675 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.933 6.480 -2.951 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.549 4.842 -2.855 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.391 6.829 -2.583 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.944 6.019 -1.063 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.447 6.966 -1.158 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.178 5.506 -5.179 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.091 4.170 -4.730 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.465 5.833 -4.826 1.00 14.20 H new ATOM 500 N GLU X 460 11.292 6.006 0.794 1.00 70.03 N ATOM 501 CA GLU X 460 11.994 6.958 1.648 1.00 55.24 C ATOM 502 C GLU X 460 12.992 6.242 2.555 1.00 12.02 C ATOM 503 O GLU X 460 14.163 6.610 2.617 1.00 12.20 O ATOM 504 CB GLU X 460 10.995 7.749 2.496 1.00 64.30 C ATOM 505 CG GLU X 460 11.649 8.599 3.573 1.00 23.33 C ATOM 506 CD GLU X 460 10.764 9.741 4.031 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.679 10.754 3.304 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.157 9.624 5.116 1.00 74.02 O ATOM 0 H GLU X 460 10.284 5.967 0.944 1.00 70.03 H new ATOM 0 HA GLU X 460 12.542 7.648 1.006 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.408 8.394 1.843 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.300 7.054 2.966 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.895 7.969 4.428 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.588 9.002 3.193 1.00 23.33 H new ATOM 513 N ALA X 461 12.517 5.218 3.256 1.00 23.10 N ATOM 514 CA ALA X 461 13.366 4.450 4.157 1.00 30.24 C ATOM 515 C ALA X 461 14.527 3.810 3.405 1.00 45.21 C ATOM 516 O ALA X 461 15.668 3.831 3.869 1.00 60.24 O ATOM 517 CB ALA X 461 12.549 3.386 4.874 1.00 43.23 C ATOM 0 H ALA X 461 11.548 4.901 3.217 1.00 23.10 H new ATOM 0 HA ALA X 461 13.780 5.135 4.897 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.196 2.820 5.544 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.757 3.863 5.452 1.00 43.23 H new ATOM 0 HB3 ALA X 461 12.107 2.711 4.141 1.00 43.23 H new ATOM 523 N LEU X 462 14.230 3.240 2.242 1.00 41.14 N ATOM 524 CA LEU X 462 15.251 2.592 1.424 1.00 32.12 C ATOM 525 C LEU X 462 16.369 3.569 1.073 1.00 23.05 C ATOM 526 O LEU X 462 17.542 3.303 1.332 1.00 51.52 O ATOM 527 CB LEU X 462 14.627 2.032 0.145 1.00 22.31 C ATOM 528 CG LEU X 462 14.068 0.611 0.237 1.00 14.31 C ATOM 529 CD1 LEU X 462 13.044 0.369 -0.860 1.00 13.41 C ATOM 530 CD2 LEU X 462 15.193 -0.410 0.155 1.00 72.43 C ATOM 0 H LEU X 462 13.291 3.213 1.844 1.00 41.14 H new ATOM 0 HA LEU X 462 15.679 1.772 2.002 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.822 2.698 -0.165 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.380 2.054 -0.643 1.00 22.31 H new ATOM 0 HG LEU X 462 13.571 0.497 1.200 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.657 -0.647 -0.779 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.224 1.079 -0.755 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.516 0.501 -1.834 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.777 -1.415 0.222 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.718 -0.297 -0.793 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.890 -0.250 0.977 1.00 72.43 H new ATOM 541 N GLU X 463 15.995 4.701 0.484 1.00 4.01 N ATOM 542 CA GLU X 463 16.967 5.717 0.100 1.00 14.12 C ATOM 543 C GLU X 463 17.798 6.157 1.301 1.00 33.23 C ATOM 544 O GLU X 463 19.011 6.348 1.196 1.00 3.32 O ATOM 545 CB GLU X 463 16.257 6.927 -0.513 1.00 41.55 C ATOM 546 CG GLU X 463 15.347 6.572 -1.677 1.00 22.34 C ATOM 547 CD GLU X 463 15.777 7.230 -2.975 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.310 8.358 -2.920 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.581 6.617 -4.045 1.00 1.41 O ATOM 0 H GLU X 463 15.028 4.937 0.263 1.00 4.01 H new ATOM 0 HA GLU X 463 17.636 5.281 -0.642 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.669 7.423 0.259 1.00 41.55 H new ATOM 0 HB3 GLU X 463 17.005 7.643 -0.853 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.337 5.490 -1.808 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.327 6.874 -1.441 1.00 22.34 H new ATOM 554 N LYS X 464 17.139 6.317 2.443 1.00 23.51 N ATOM 555 CA LYS X 464 17.815 6.733 3.666 1.00 44.12 C ATOM 556 C LYS X 464 18.715 5.622 4.197 1.00 71.21 C ATOM 557 O LYS X 464 19.691 5.880 4.901 1.00 34.14 O ATOM 558 CB LYS X 464 16.789 7.125 4.732 1.00 41.33 C ATOM 559 CG LYS X 464 16.296 8.556 4.604 1.00 1.43 C ATOM 560 CD LYS X 464 14.897 8.717 5.174 1.00 74.45 C ATOM 561 CE LYS X 464 14.934 9.064 6.654 1.00 13.32 C ATOM 562 NZ LYS X 464 13.665 8.697 7.342 1.00 54.43 N ATOM 0 H LYS X 464 16.136 6.165 2.547 1.00 23.51 H new ATOM 0 HA LYS X 464 18.436 7.598 3.431 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.936 6.449 4.670 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.232 6.989 5.718 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.981 9.226 5.124 1.00 1.43 H new ATOM 0 HG3 LYS X 464 16.298 8.850 3.554 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.369 9.499 4.629 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.336 7.794 5.030 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.767 8.545 7.128 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.115 10.132 6.772 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 13.730 8.950 8.349 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 12.873 9.211 6.907 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.505 7.673 7.252 1.00 54.43 H new ATOM 572 N THR X 465 18.380 4.382 3.853 1.00 13.11 N ATOM 573 CA THR X 465 19.158 3.230 4.293 1.00 52.11 C ATOM 574 C THR X 465 20.219 2.856 3.263 1.00 75.51 C ATOM 575 O THR X 465 21.056 1.990 3.509 1.00 65.34 O ATOM 576 CB THR X 465 18.256 2.008 4.552 1.00 42.21 C ATOM 577 OG1 THR X 465 17.491 1.708 3.380 1.00 52.14 O ATOM 578 CG2 THR X 465 17.320 2.266 5.724 1.00 61.42 C ATOM 0 H THR X 465 17.575 4.150 3.271 1.00 13.11 H new ATOM 0 HA THR X 465 19.646 3.516 5.225 1.00 52.11 H new ATOM 0 HB THR X 465 18.893 1.158 4.797 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.891 2.155 2.605 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.693 1.390 5.888 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.906 2.466 6.621 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.689 3.127 5.503 1.00 61.42 H new ATOM 586 N GLY X 466 20.177 3.516 2.110 1.00 31.45 N ATOM 587 CA GLY X 466 21.140 3.240 1.061 1.00 73.12 C ATOM 588 C GLY X 466 20.669 2.152 0.116 1.00 2.02 C ATOM 589 O GLY X 466 21.454 1.298 -0.300 1.00 72.31 O ATOM 0 H GLY X 466 19.492 4.238 1.884 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.328 4.152 0.495 1.00 73.12 H new ATOM 0 HA3 GLY X 466 22.087 2.942 1.510 1.00 73.12 H new ATOM 593 N TYR X 467 19.386 2.181 -0.225 1.00 22.12 N ATOM 594 CA TYR X 467 18.812 1.188 -1.125 1.00 42.34 C ATOM 595 C TYR X 467 18.959 -0.218 -0.550 1.00 41.45 C ATOM 596 O TYR X 467 19.457 -1.125 -1.217 1.00 0.12 O ATOM 597 CB TYR X 467 19.484 1.263 -2.497 1.00 12.11 C ATOM 598 CG TYR X 467 19.354 2.615 -3.162 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.105 3.172 -3.410 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.480 3.334 -3.543 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.982 4.406 -4.018 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.366 4.569 -4.150 1.00 24.43 C ATOM 603 CZ TYR X 467 19.115 5.102 -4.386 1.00 42.32 C ATOM 604 OH TYR X 467 18.998 6.332 -4.991 1.00 45.41 O ATOM 0 H TYR X 467 18.723 2.881 0.108 1.00 22.12 H new ATOM 0 HA TYR X 467 17.750 1.406 -1.236 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.541 1.021 -2.388 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.049 0.504 -3.147 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.216 2.631 -3.122 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.461 2.920 -3.361 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.004 4.824 -4.204 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.252 5.115 -4.439 1.00 24.43 H new ATOM 0 HH TYR X 467 19.890 6.688 -5.185 1.00 45.41 H new ATOM 613 N VAL X 468 18.521 -0.390 0.693 1.00 21.22 N ATOM 614 CA VAL X 468 18.600 -1.685 1.359 1.00 11.54 C ATOM 615 C VAL X 468 17.234 -2.126 1.870 1.00 22.10 C ATOM 616 O VAL X 468 16.571 -1.399 2.611 1.00 25.15 O ATOM 617 CB VAL X 468 19.590 -1.649 2.539 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.747 -3.034 3.146 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.936 -1.100 2.088 1.00 32.52 C ATOM 0 H VAL X 468 18.108 0.351 1.259 1.00 21.22 H new ATOM 0 HA VAL X 468 18.955 -2.401 0.617 1.00 11.54 H new ATOM 0 HB VAL X 468 19.191 -0.985 3.306 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.450 -2.989 3.978 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.780 -3.385 3.506 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.124 -3.722 2.389 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.623 -1.081 2.934 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.344 -1.737 1.303 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.806 -0.088 1.704 1.00 32.52 H new ATOM 629 N LYS X 469 16.816 -3.322 1.470 1.00 2.33 N ATOM 630 CA LYS X 469 15.529 -3.863 1.888 1.00 73.34 C ATOM 631 C LYS X 469 15.538 -4.203 3.376 1.00 0.52 C ATOM 632 O LYS X 469 14.644 -3.801 4.119 1.00 43.22 O ATOM 633 CB LYS X 469 15.187 -5.111 1.072 1.00 64.33 C ATOM 634 CG LYS X 469 15.275 -4.898 -0.430 1.00 65.33 C ATOM 635 CD LYS X 469 14.101 -4.085 -0.948 1.00 74.35 C ATOM 636 CE LYS X 469 13.858 -4.336 -2.429 1.00 63.33 C ATOM 637 NZ LYS X 469 12.980 -5.518 -2.654 1.00 50.11 N ATOM 0 H LYS X 469 17.351 -3.936 0.856 1.00 2.33 H new ATOM 0 HA LYS X 469 14.769 -3.101 1.712 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.863 -5.918 1.356 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.178 -5.436 1.326 1.00 64.33 H new ATOM 0 HG2 LYS X 469 16.207 -4.387 -0.672 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.300 -5.864 -0.934 1.00 65.33 H new ATOM 0 HD2 LYS X 469 13.204 -4.339 -0.383 1.00 74.35 H new ATOM 0 HD3 LYS X 469 14.291 -3.024 -0.784 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.401 -3.454 -2.877 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.812 -4.491 -2.933 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 12.755 -5.596 -3.666 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.471 -6.380 -2.341 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.100 -5.405 -2.112 1.00 50.11 H new ATOM 647 N SER X 470 16.555 -4.945 3.802 1.00 71.13 N ATOM 648 CA SER X 470 16.680 -5.339 5.200 1.00 51.22 C ATOM 649 C SER X 470 16.605 -4.123 6.117 1.00 51.22 C ATOM 650 O SER X 470 15.802 -4.085 7.050 1.00 14.32 O ATOM 651 CB SER X 470 17.999 -6.082 5.426 1.00 52.44 C ATOM 652 OG SER X 470 17.947 -7.390 4.882 1.00 5.24 O ATOM 0 H SER X 470 17.304 -5.285 3.199 1.00 71.13 H new ATOM 0 HA SER X 470 15.850 -6.004 5.440 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.817 -5.526 4.967 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.211 -6.137 6.494 1.00 52.44 H new ATOM 0 HG SER X 470 18.802 -7.843 5.038 1.00 5.24 H new ATOM 657 N ARG X 471 17.446 -3.131 5.845 1.00 75.24 N ATOM 658 CA ARG X 471 17.477 -1.913 6.646 1.00 11.02 C ATOM 659 C ARG X 471 16.143 -1.176 6.565 1.00 64.24 C ATOM 660 O ARG X 471 15.569 -0.798 7.585 1.00 23.30 O ATOM 661 CB ARG X 471 18.607 -0.997 6.176 1.00 3.34 C ATOM 662 CG ARG X 471 19.993 -1.595 6.359 1.00 74.42 C ATOM 663 CD ARG X 471 21.033 -0.857 5.531 1.00 11.42 C ATOM 664 NE ARG X 471 22.119 -1.735 5.106 1.00 42.13 N ATOM 665 CZ ARG X 471 23.234 -1.299 4.531 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.409 -0.003 4.313 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.178 -2.162 4.172 1.00 13.40 N ATOM 0 H ARG X 471 18.115 -3.147 5.076 1.00 75.24 H new ATOM 0 HA ARG X 471 17.655 -2.194 7.684 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.458 -0.762 5.122 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.552 -0.056 6.723 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.271 -1.556 7.412 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.977 -2.646 6.072 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.555 -0.421 4.654 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.441 -0.032 6.114 1.00 11.42 H new ATOM 0 HE ARG X 471 22.016 -2.738 5.259 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.686 0.662 4.587 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.266 0.329 3.871 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.047 -3.160 4.338 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.034 -1.827 3.730 1.00 13.40 H new ATOM 678 N ALA X 472 15.657 -0.974 5.345 1.00 63.50 N ATOM 679 CA ALA X 472 14.392 -0.284 5.131 1.00 51.02 C ATOM 680 C ALA X 472 13.254 -0.979 5.871 1.00 14.44 C ATOM 681 O ALA X 472 12.329 -0.332 6.357 1.00 62.31 O ATOM 682 CB ALA X 472 14.081 -0.199 3.644 1.00 12.21 C ATOM 0 H ALA X 472 16.121 -1.279 4.489 1.00 63.50 H new ATOM 0 HA ALA X 472 14.487 0.726 5.530 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.133 0.319 3.500 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.875 0.349 3.137 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.012 -1.204 3.229 1.00 12.21 H new ATOM 688 N ALA X 473 13.331 -2.305 5.952 1.00 33.12 N ATOM 689 CA ALA X 473 12.308 -3.088 6.635 1.00 5.31 C ATOM 690 C ALA X 473 12.346 -2.848 8.140 1.00 1.25 C ATOM 691 O ALA X 473 11.329 -2.524 8.753 1.00 50.13 O ATOM 692 CB ALA X 473 12.487 -4.568 6.330 1.00 61.31 C ATOM 0 H ALA X 473 14.090 -2.858 5.554 1.00 33.12 H new ATOM 0 HA ALA X 473 11.333 -2.767 6.267 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.717 -5.142 6.846 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.402 -4.731 5.256 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.470 -4.893 6.670 1.00 61.31 H new ATOM 698 N LYS X 474 13.526 -3.008 8.731 1.00 62.03 N ATOM 699 CA LYS X 474 13.698 -2.809 10.165 1.00 24.40 C ATOM 700 C LYS X 474 13.442 -1.353 10.546 1.00 54.40 C ATOM 701 O LYS X 474 12.917 -1.066 11.621 1.00 74.45 O ATOM 702 CB LYS X 474 15.107 -3.220 10.593 1.00 34.32 C ATOM 703 CG LYS X 474 16.208 -2.467 9.866 1.00 3.21 C ATOM 704 CD LYS X 474 17.586 -2.911 10.325 1.00 54.32 C ATOM 705 CE LYS X 474 18.059 -2.109 11.527 1.00 20.00 C ATOM 706 NZ LYS X 474 19.441 -2.485 11.935 1.00 3.13 N ATOM 0 H LYS X 474 14.378 -3.275 8.238 1.00 62.03 H new ATOM 0 HA LYS X 474 12.972 -3.435 10.683 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.214 -3.057 11.665 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.233 -4.289 10.419 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.112 -2.628 8.792 1.00 3.21 H new ATOM 0 HG3 LYS X 474 16.093 -1.397 10.039 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.562 -3.970 10.580 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.297 -2.796 9.507 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.027 -1.046 11.290 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.377 -2.270 12.362 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.727 -1.916 12.757 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.466 -3.494 12.186 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 20.096 -2.308 11.147 1.00 3.13 H new ATOM 716 N LEU X 475 13.818 -0.440 9.657 1.00 10.44 N ATOM 717 CA LEU X 475 13.629 0.986 9.899 1.00 74.31 C ATOM 718 C LEU X 475 12.147 1.345 9.908 1.00 24.12 C ATOM 719 O LEU X 475 11.662 2.006 10.827 1.00 74.13 O ATOM 720 CB LEU X 475 14.358 1.805 8.833 1.00 52.05 C ATOM 721 CG LEU X 475 14.833 3.194 9.262 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.704 3.817 8.182 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.644 4.092 9.575 1.00 53.02 C ATOM 0 H LEU X 475 14.255 -0.662 8.763 1.00 10.44 H new ATOM 0 HA LEU X 475 14.047 1.222 10.878 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.224 1.235 8.495 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.696 1.918 7.975 1.00 52.05 H new ATOM 0 HG LEU X 475 15.431 3.089 10.167 1.00 5.43 H new ATOM 0 HD11 LEU X 475 16.033 4.805 8.505 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.574 3.184 8.006 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.130 3.909 7.260 1.00 24.51 H new ATOM 0 HD21 LEU X 475 14.001 5.076 9.878 1.00 53.02 H new ATOM 0 HD22 LEU X 475 13.019 4.191 8.687 1.00 53.02 H new ATOM 0 HD23 LEU X 475 13.059 3.653 10.383 1.00 53.02 H new ATOM 734 N LEU X 476 11.430 0.904 8.880 1.00 14.12 N ATOM 735 CA LEU X 476 10.001 1.176 8.769 1.00 2.33 C ATOM 736 C LEU X 476 9.217 0.408 9.828 1.00 41.31 C ATOM 737 O LEU X 476 8.280 0.935 10.425 1.00 65.41 O ATOM 738 CB LEU X 476 9.497 0.804 7.374 1.00 21.22 C ATOM 739 CG LEU X 476 9.965 1.703 6.229 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.967 0.937 4.916 1.00 15.24 C ATOM 741 CD2 LEU X 476 9.082 2.939 6.127 1.00 71.10 C ATOM 0 H LEU X 476 11.815 0.356 8.111 1.00 14.12 H new ATOM 0 HA LEU X 476 9.846 2.243 8.931 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.809 -0.218 7.158 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.407 0.808 7.390 1.00 21.22 H new ATOM 0 HG LEU X 476 10.985 2.026 6.439 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.303 1.593 4.113 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.641 0.084 4.994 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.959 0.584 4.699 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.429 3.568 5.307 1.00 71.10 H new ATOM 0 HD22 LEU X 476 8.052 2.636 5.941 1.00 71.10 H new ATOM 0 HD23 LEU X 476 9.132 3.500 7.060 1.00 71.10 H new ATOM 752 N GLY X 477 9.609 -0.841 10.057 1.00 45.23 N ATOM 753 CA GLY X 477 8.934 -1.662 11.045 1.00 22.13 C ATOM 754 C GLY X 477 8.268 -2.878 10.432 1.00 61.31 C ATOM 755 O GLY X 477 7.353 -3.455 11.019 1.00 35.21 O ATOM 0 H GLY X 477 10.383 -1.300 9.576 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.654 -1.986 11.796 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.184 -1.062 11.560 1.00 22.13 H new ATOM 759 N TYR X 478 8.726 -3.267 9.248 1.00 41.35 N ATOM 760 CA TYR X 478 8.166 -4.419 8.552 1.00 51.13 C ATOM 761 C TYR X 478 9.233 -5.484 8.314 1.00 65.31 C ATOM 762 O TYR X 478 10.431 -5.203 8.364 1.00 40.51 O ATOM 763 CB TYR X 478 7.554 -3.988 7.218 1.00 71.43 C ATOM 764 CG TYR X 478 6.704 -2.741 7.316 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.836 -2.551 8.384 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.771 -1.754 6.342 1.00 30.21 C ATOM 767 CE1 TYR X 478 5.058 -1.413 8.478 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.998 -0.613 6.428 1.00 51.13 C ATOM 769 CZ TYR X 478 5.143 -0.446 7.497 1.00 63.32 C ATOM 770 OH TYR X 478 4.370 0.688 7.587 1.00 43.33 O ATOM 0 H TYR X 478 9.484 -2.801 8.750 1.00 41.35 H new ATOM 0 HA TYR X 478 7.385 -4.847 9.181 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.355 -3.816 6.499 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.945 -4.803 6.827 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.768 -3.306 9.154 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.439 -1.881 5.503 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.387 -1.281 9.314 1.00 15.11 H new ATOM 0 HE2 TYR X 478 6.063 0.145 5.662 1.00 51.13 H new ATOM 0 HH TYR X 478 4.550 1.268 6.818 1.00 43.33 H new ATOM 779 N THR X 479 8.789 -6.710 8.056 1.00 31.11 N ATOM 780 CA THR X 479 9.703 -7.818 7.812 1.00 32.34 C ATOM 781 C THR X 479 10.070 -7.913 6.334 1.00 71.23 C ATOM 782 O THR X 479 9.421 -7.302 5.483 1.00 3.54 O ATOM 783 CB THR X 479 9.095 -9.159 8.264 1.00 31.32 C ATOM 784 OG1 THR X 479 10.014 -10.226 8.004 1.00 41.35 O ATOM 785 CG2 THR X 479 7.782 -9.428 7.546 1.00 33.32 C ATOM 0 H THR X 479 7.801 -6.960 8.011 1.00 31.11 H new ATOM 0 HA THR X 479 10.602 -7.620 8.396 1.00 32.34 H new ATOM 0 HB THR X 479 8.899 -9.101 9.335 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.621 -11.075 8.296 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.372 -10.380 7.882 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.075 -8.629 7.770 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.957 -9.467 6.471 1.00 33.32 H new ATOM 793 N LEU X 480 11.112 -8.681 6.036 1.00 51.22 N ATOM 794 CA LEU X 480 11.564 -8.856 4.660 1.00 73.24 C ATOM 795 C LEU X 480 10.403 -9.244 3.751 1.00 73.11 C ATOM 796 O LEU X 480 10.332 -8.813 2.599 1.00 12.40 O ATOM 797 CB LEU X 480 12.658 -9.924 4.595 1.00 54.35 C ATOM 798 CG LEU X 480 12.992 -10.456 3.201 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.354 -9.313 2.265 1.00 10.34 C ATOM 800 CD2 LEU X 480 14.127 -11.468 3.275 1.00 24.30 C ATOM 0 H LEU X 480 11.660 -9.192 6.728 1.00 51.22 H new ATOM 0 HA LEU X 480 11.971 -7.906 4.313 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.567 -9.512 5.033 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.356 -10.764 5.220 1.00 54.35 H new ATOM 0 HG LEU X 480 12.110 -10.957 2.803 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.589 -9.711 1.278 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.512 -8.625 2.188 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.221 -8.782 2.657 1.00 10.34 H new ATOM 0 HD21 LEU X 480 14.352 -11.836 2.274 1.00 24.30 H new ATOM 0 HD22 LEU X 480 15.013 -10.991 3.694 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.830 -12.302 3.910 1.00 24.30 H new ATOM 811 N ARG X 481 9.494 -10.059 4.275 1.00 60.01 N ATOM 812 CA ARG X 481 8.335 -10.504 3.510 1.00 5.23 C ATOM 813 C ARG X 481 7.407 -9.333 3.198 1.00 63.40 C ATOM 814 O ARG X 481 7.023 -9.124 2.047 1.00 34.21 O ATOM 815 CB ARG X 481 7.571 -11.582 4.282 1.00 22.32 C ATOM 816 CG ARG X 481 6.588 -12.363 3.426 1.00 15.42 C ATOM 817 CD ARG X 481 5.847 -13.410 4.243 1.00 33.20 C ATOM 818 NE ARG X 481 4.858 -12.811 5.134 1.00 11.02 N ATOM 819 CZ ARG X 481 3.966 -13.515 5.821 1.00 23.35 C ATOM 820 NH1 ARG X 481 3.939 -14.836 5.721 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.097 -12.897 6.612 1.00 54.34 N ATOM 0 H ARG X 481 9.537 -10.425 5.226 1.00 60.01 H new ATOM 0 HA ARG X 481 8.691 -10.924 2.569 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.286 -12.276 4.724 1.00 22.32 H new ATOM 0 HB3 ARG X 481 7.031 -11.114 5.105 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.871 -11.677 2.976 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.121 -12.848 2.609 1.00 15.42 H new ATOM 0 HD2 ARG X 481 5.352 -14.110 3.571 1.00 33.20 H new ATOM 0 HD3 ARG X 481 6.563 -13.985 4.831 1.00 33.20 H new ATOM 0 HE ARG X 481 4.852 -11.796 5.234 1.00 11.02 H new ATOM 0 HH11 ARG X 481 4.605 -15.315 5.115 1.00 64.23 H new ATOM 0 HH12 ARG X 481 3.252 -15.374 6.250 1.00 64.23 H new ATOM 0 HH21 ARG X 481 3.114 -11.880 6.692 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.412 -13.439 7.139 1.00 54.34 H new ATOM 832 N GLN X 482 7.052 -8.575 4.230 1.00 43.45 N ATOM 833 CA GLN X 482 6.168 -7.426 4.065 1.00 74.43 C ATOM 834 C GLN X 482 6.789 -6.392 3.131 1.00 15.22 C ATOM 835 O GLN X 482 6.179 -5.992 2.138 1.00 24.12 O ATOM 836 CB GLN X 482 5.866 -6.790 5.423 1.00 61.30 C ATOM 837 CG GLN X 482 4.958 -7.634 6.302 1.00 11.44 C ATOM 838 CD GLN X 482 3.695 -8.073 5.586 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.890 -7.245 5.159 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.515 -9.381 5.452 1.00 62.51 N ATOM 0 H GLN X 482 7.362 -8.735 5.188 1.00 43.45 H new ATOM 0 HA GLN X 482 5.236 -7.776 3.621 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.804 -6.613 5.949 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.401 -5.817 5.264 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.503 -8.515 6.641 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.688 -7.064 7.191 1.00 11.44 H new ATOM 0 HE21 GLN X 482 4.208 -10.032 5.821 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.683 -9.736 4.980 1.00 62.51 H new ATOM 847 N LEU X 483 8.002 -5.963 3.457 1.00 30.43 N ATOM 848 CA LEU X 483 8.707 -4.973 2.647 1.00 23.25 C ATOM 849 C LEU X 483 8.779 -5.415 1.189 1.00 43.34 C ATOM 850 O LEU X 483 8.404 -4.669 0.284 1.00 12.42 O ATOM 851 CB LEU X 483 10.117 -4.749 3.194 1.00 32.11 C ATOM 852 CG LEU X 483 10.832 -3.487 2.708 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.683 -2.365 3.723 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.301 -3.777 2.442 1.00 65.25 C ATOM 0 H LEU X 483 8.519 -6.284 4.276 1.00 30.43 H new ATOM 0 HA LEU X 483 8.152 -4.036 2.697 1.00 23.25 H new ATOM 0 HB2 LEU X 483 10.062 -4.715 4.282 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.728 -5.613 2.932 1.00 32.11 H new ATOM 0 HG LEU X 483 10.370 -3.167 1.774 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.198 -1.475 3.360 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.626 -2.140 3.864 1.00 33.51 H new ATOM 0 HD13 LEU X 483 11.118 -2.674 4.673 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.795 -2.868 2.097 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.776 -4.122 3.361 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.387 -4.549 1.677 1.00 65.25 H new ATOM 865 N ASP X 484 9.260 -6.633 0.968 1.00 4.40 N ATOM 866 CA ASP X 484 9.378 -7.177 -0.380 1.00 74.33 C ATOM 867 C ASP X 484 8.044 -7.100 -1.115 1.00 23.13 C ATOM 868 O ASP X 484 7.985 -6.686 -2.274 1.00 2.41 O ATOM 869 CB ASP X 484 9.863 -8.627 -0.328 1.00 53.22 C ATOM 870 CG ASP X 484 10.059 -9.221 -1.708 1.00 43.05 C ATOM 871 OD1 ASP X 484 9.081 -9.759 -2.268 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.192 -9.147 -2.230 1.00 13.14 O ATOM 0 H ASP X 484 9.575 -7.263 1.706 1.00 4.40 H new ATOM 0 HA ASP X 484 10.108 -6.578 -0.924 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.803 -8.673 0.221 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.141 -9.229 0.224 1.00 53.22 H new ATOM 876 N TYR X 485 6.975 -7.502 -0.436 1.00 62.24 N ATOM 877 CA TYR X 485 5.642 -7.482 -1.027 1.00 54.52 C ATOM 878 C TYR X 485 5.264 -6.071 -1.468 1.00 35.33 C ATOM 879 O TYR X 485 4.601 -5.886 -2.490 1.00 43.32 O ATOM 880 CB TYR X 485 4.611 -8.008 -0.027 1.00 42.42 C ATOM 881 CG TYR X 485 3.397 -8.629 -0.679 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.500 -9.816 -1.396 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.148 -8.029 -0.582 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.393 -10.387 -1.995 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.036 -8.594 -1.176 1.00 35.54 C ATOM 886 CZ TYR X 485 1.164 -9.772 -1.882 1.00 72.11 C ATOM 887 OH TYR X 485 0.059 -10.336 -2.477 1.00 32.54 O ATOM 0 H TYR X 485 7.006 -7.846 0.524 1.00 62.24 H new ATOM 0 HA TYR X 485 5.651 -8.128 -1.905 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.086 -8.749 0.616 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.289 -7.188 0.615 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.461 -10.300 -1.486 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.044 -7.105 -0.033 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.490 -11.309 -2.548 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.072 -8.116 -1.088 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.728 -9.779 -2.301 1.00 32.54 H new ATOM 896 N ARG X 486 5.690 -5.081 -0.693 1.00 30.20 N ATOM 897 CA ARG X 486 5.396 -3.686 -1.004 1.00 23.23 C ATOM 898 C ARG X 486 6.215 -3.211 -2.201 1.00 23.24 C ATOM 899 O ARG X 486 5.721 -2.466 -3.047 1.00 73.10 O ATOM 900 CB ARG X 486 5.686 -2.800 0.209 1.00 32.34 C ATOM 901 CG ARG X 486 4.483 -2.596 1.115 1.00 43.42 C ATOM 902 CD ARG X 486 4.445 -3.629 2.231 1.00 11.40 C ATOM 903 NE ARG X 486 3.306 -3.432 3.121 1.00 15.11 N ATOM 904 CZ ARG X 486 2.070 -3.830 2.834 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.820 -4.444 1.686 1.00 34.32 N ATOM 906 NH2 ARG X 486 1.085 -3.615 3.695 1.00 1.14 N ATOM 0 H ARG X 486 6.240 -5.217 0.155 1.00 30.20 H new ATOM 0 HA ARG X 486 4.338 -3.611 -1.257 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.495 -3.245 0.788 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.039 -1.828 -0.137 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.516 -1.595 1.545 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.568 -2.660 0.527 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.398 -4.628 1.798 1.00 11.40 H new ATOM 0 HD3 ARG X 486 5.369 -3.574 2.807 1.00 11.40 H new ATOM 0 HE ARG X 486 3.466 -2.963 4.013 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.576 -4.612 1.022 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.872 -4.749 1.467 1.00 34.32 H new ATOM 0 HH21 ARG X 486 1.275 -3.144 4.579 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.138 -3.921 3.473 1.00 1.14 H new ATOM 917 N ILE X 487 7.468 -3.648 -2.265 1.00 12.05 N ATOM 918 CA ILE X 487 8.354 -3.269 -3.359 1.00 10.12 C ATOM 919 C ILE X 487 7.831 -3.787 -4.695 1.00 62.30 C ATOM 920 O ILE X 487 7.877 -3.086 -5.705 1.00 15.43 O ATOM 921 CB ILE X 487 9.782 -3.802 -3.138 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.385 -3.196 -1.868 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.656 -3.493 -4.344 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.382 -1.684 -1.860 1.00 35.13 C ATOM 0 H ILE X 487 7.893 -4.265 -1.572 1.00 12.05 H new ATOM 0 HA ILE X 487 8.381 -2.180 -3.380 1.00 10.12 H new ATOM 0 HB ILE X 487 9.735 -4.884 -3.016 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.828 -3.557 -1.003 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.410 -3.550 -1.758 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.662 -3.876 -4.172 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.234 -3.967 -5.230 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.699 -2.414 -4.495 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.824 -1.324 -0.931 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.963 -1.315 -2.705 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.357 -1.322 -1.939 1.00 35.13 H new ATOM 935 N LYS X 488 7.333 -5.018 -4.691 1.00 1.41 N ATOM 936 CA LYS X 488 6.799 -5.631 -5.902 1.00 43.53 C ATOM 937 C LYS X 488 5.448 -5.025 -6.267 1.00 53.44 C ATOM 938 O LYS X 488 5.158 -4.788 -7.440 1.00 72.22 O ATOM 939 CB LYS X 488 6.657 -7.144 -5.713 1.00 2.51 C ATOM 940 CG LYS X 488 5.777 -7.529 -4.535 1.00 3.34 C ATOM 941 CD LYS X 488 5.712 -9.037 -4.359 1.00 3.43 C ATOM 942 CE LYS X 488 5.078 -9.712 -5.565 1.00 41.43 C ATOM 943 NZ LYS X 488 4.595 -11.083 -5.243 1.00 22.33 N ATOM 0 H LYS X 488 7.288 -5.612 -3.863 1.00 1.41 H new ATOM 0 HA LYS X 488 7.497 -5.437 -6.716 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.243 -7.578 -6.623 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.647 -7.579 -5.574 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.165 -7.072 -3.625 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.772 -7.135 -4.686 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.717 -9.430 -4.207 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.138 -9.275 -3.464 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.244 -9.108 -5.923 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.805 -9.764 -6.376 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 4.170 -11.509 -6.091 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 5.395 -11.667 -4.926 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.883 -11.031 -4.487 1.00 22.33 H new ATOM 953 N LYS X 489 4.624 -4.775 -5.255 1.00 24.34 N ATOM 954 CA LYS X 489 3.304 -4.193 -5.469 1.00 21.32 C ATOM 955 C LYS X 489 3.417 -2.752 -5.959 1.00 63.33 C ATOM 956 O LYS X 489 2.716 -2.345 -6.886 1.00 53.33 O ATOM 957 CB LYS X 489 2.488 -4.239 -4.175 1.00 54.52 C ATOM 958 CG LYS X 489 1.487 -5.381 -4.127 1.00 54.51 C ATOM 959 CD LYS X 489 2.178 -6.731 -4.230 1.00 14.12 C ATOM 960 CE LYS X 489 1.175 -7.855 -4.444 1.00 62.31 C ATOM 961 NZ LYS X 489 0.583 -7.817 -5.811 1.00 3.10 N ATOM 0 H LYS X 489 4.847 -4.966 -4.278 1.00 24.34 H new ATOM 0 HA LYS X 489 2.796 -4.780 -6.234 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.169 -4.328 -3.329 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.956 -3.295 -4.057 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.920 -5.331 -3.197 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.772 -5.274 -4.942 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.890 -6.715 -5.055 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.749 -6.919 -3.321 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.667 -8.815 -4.288 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.380 -7.779 -3.702 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 0.081 -8.709 -5.997 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.085 -7.023 -5.878 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.340 -7.693 -6.514 1.00 3.10 H new ATOM 971 N TYR X 490 4.304 -1.987 -5.333 1.00 63.10 N ATOM 972 CA TYR X 490 4.507 -0.592 -5.705 1.00 65.13 C ATOM 973 C TYR X 490 5.552 -0.470 -6.810 1.00 43.30 C ATOM 974 O TYR X 490 5.824 0.623 -7.304 1.00 45.35 O ATOM 975 CB TYR X 490 4.941 0.225 -4.486 1.00 31.24 C ATOM 976 CG TYR X 490 3.911 0.255 -3.379 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.622 0.716 -3.617 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.226 -0.179 -2.098 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.678 0.747 -2.608 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.288 -0.154 -1.084 1.00 30.22 C ATOM 981 CZ TYR X 490 2.015 0.310 -1.344 1.00 51.31 C ATOM 982 OH TYR X 490 1.078 0.338 -0.337 1.00 54.23 O ATOM 0 H TYR X 490 4.894 -2.309 -4.566 1.00 63.10 H new ATOM 0 HA TYR X 490 3.561 -0.201 -6.079 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.871 -0.188 -4.095 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.154 1.247 -4.801 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.353 1.056 -4.606 1.00 32.02 H new ATOM 0 HD2 TYR X 490 5.222 -0.542 -1.891 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.681 1.112 -2.808 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.550 -0.496 -0.093 1.00 30.22 H new ATOM 0 HH TYR X 490 0.816 -0.578 -0.108 1.00 54.23 H new ATOM 991 N GLY X 491 6.133 -1.603 -7.193 1.00 12.33 N ATOM 992 CA GLY X 491 7.141 -1.603 -8.238 1.00 73.13 C ATOM 993 C GLY X 491 8.242 -0.593 -7.981 1.00 70.25 C ATOM 994 O GLY X 491 8.656 0.128 -8.890 1.00 25.21 O ATOM 0 H GLY X 491 5.924 -2.520 -6.799 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.577 -2.599 -8.318 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.668 -1.384 -9.195 1.00 73.13 H new ATOM 998 N ILE X 492 8.717 -0.541 -6.742 1.00 33.34 N ATOM 999 CA ILE X 492 9.777 0.388 -6.368 1.00 12.35 C ATOM 1000 C ILE X 492 11.132 -0.091 -6.878 1.00 73.33 C ATOM 1001 O ILE X 492 11.348 -1.287 -7.066 1.00 45.43 O ATOM 1002 CB ILE X 492 9.852 0.573 -4.842 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.450 0.771 -4.261 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.746 1.754 -4.494 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.436 0.928 -2.756 1.00 21.21 C ATOM 0 H ILE X 492 8.385 -1.131 -5.979 1.00 33.34 H new ATOM 0 HA ILE X 492 9.535 1.345 -6.830 1.00 12.35 H new ATOM 0 HB ILE X 492 10.284 -0.326 -4.403 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.999 1.654 -4.714 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.828 -0.081 -4.535 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.789 1.871 -3.411 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.750 1.576 -4.879 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.341 2.661 -4.942 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.410 1.064 -2.414 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.857 0.036 -2.293 1.00 21.21 H new ATOM 0 HD13 ILE X 492 9.031 1.797 -2.475 1.00 21.21 H new ATOM 1016 N GLU X 493 12.042 0.854 -7.099 1.00 41.10 N ATOM 1017 CA GLU X 493 13.378 0.527 -7.586 1.00 52.04 C ATOM 1018 C GLU X 493 14.427 0.782 -6.508 1.00 43.33 C ATOM 1019 O GLU X 493 14.165 1.469 -5.520 1.00 63.45 O ATOM 1020 CB GLU X 493 13.703 1.349 -8.835 1.00 63.11 C ATOM 1021 CG GLU X 493 12.843 0.995 -10.037 1.00 11.52 C ATOM 1022 CD GLU X 493 12.754 2.127 -11.043 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.817 2.628 -11.469 1.00 62.13 O ATOM 1024 OE2 GLU X 493 11.622 2.510 -11.406 1.00 70.23 O ATOM 0 H GLU X 493 11.879 1.850 -6.949 1.00 41.10 H new ATOM 0 HA GLU X 493 13.396 -0.532 -7.842 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.576 2.407 -8.607 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.752 1.203 -9.093 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.253 0.111 -10.525 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.840 0.735 -9.698 1.00 11.52 H new