USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=8 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+ 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 10:sc= 0.415 USER MOD Single : X 467 TYR OH : rot 47:sc= 1.26 USER MOD Single : X 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -151:sc= 0.00213 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.334 USER MOD Single : X 482 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) 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+ 166:sc= -0.0129 (180deg=-0.179) USER MOD Single : X 490 TYR OH : rot 150:sc= -0.697 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 1.780 4.264 1.403 1.00 61.44 N ATOM 395 CA GLU X 454 2.678 3.165 1.741 1.00 4.33 C ATOM 396 C GLU X 454 3.915 3.180 0.848 1.00 54.22 C ATOM 397 O GLU X 454 5.045 3.099 1.331 1.00 33.03 O ATOM 398 CB GLU X 454 1.954 1.825 1.606 1.00 4.25 C ATOM 399 CG GLU X 454 2.737 0.650 2.167 1.00 54.45 C ATOM 400 CD GLU X 454 2.839 0.686 3.680 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.935 0.143 4.348 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.823 1.256 4.195 1.00 25.31 O ATOM 0 HA GLU X 454 2.996 3.294 2.776 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.993 1.888 2.117 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.743 1.640 0.553 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.258 -0.280 1.861 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.739 0.649 1.739 1.00 54.45 H new ATOM 407 N LYS X 455 3.694 3.283 -0.459 1.00 25.33 N ATOM 408 CA LYS X 455 4.789 3.309 -1.420 1.00 0.54 C ATOM 409 C LYS X 455 5.792 4.405 -1.074 1.00 62.42 C ATOM 410 O LYS X 455 7.002 4.219 -1.209 1.00 21.12 O ATOM 411 CB LYS X 455 4.246 3.527 -2.835 1.00 34.23 C ATOM 412 CG LYS X 455 5.333 3.702 -3.882 1.00 13.52 C ATOM 413 CD LYS X 455 5.493 5.159 -4.282 1.00 51.32 C ATOM 414 CE LYS X 455 6.912 5.649 -4.040 1.00 3.43 C ATOM 415 NZ LYS X 455 7.262 6.794 -4.927 1.00 10.05 N ATOM 0 H LYS X 455 2.766 3.350 -0.876 1.00 25.33 H new ATOM 0 HA LYS X 455 5.301 2.348 -1.377 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.621 2.678 -3.110 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.605 4.409 -2.838 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.279 3.325 -3.493 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.091 3.107 -4.762 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.240 5.278 -5.336 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.793 5.772 -3.715 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.019 5.951 -2.998 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.613 4.831 -4.209 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.237 7.099 -4.732 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.184 6.499 -5.921 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 6.610 7.584 -4.748 1.00 10.05 H new ATOM 425 N LYS X 456 5.283 5.546 -0.627 1.00 23.55 N ATOM 426 CA LYS X 456 6.133 6.673 -0.258 1.00 51.54 C ATOM 427 C LYS X 456 6.997 6.329 0.952 1.00 23.14 C ATOM 428 O LYS X 456 8.168 6.699 1.015 1.00 54.11 O ATOM 429 CB LYS X 456 5.279 7.906 0.046 1.00 65.35 C ATOM 430 CG LYS X 456 5.014 8.776 -1.170 1.00 12.34 C ATOM 431 CD LYS X 456 4.408 10.113 -0.777 1.00 41.13 C ATOM 432 CE LYS X 456 5.429 11.006 -0.086 1.00 35.30 C ATOM 433 NZ LYS X 456 4.937 12.404 0.056 1.00 61.51 N ATOM 0 H LYS X 456 4.284 5.716 -0.511 1.00 23.55 H new ATOM 0 HA LYS X 456 6.788 6.892 -1.101 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.326 7.583 0.466 1.00 65.35 H new ATOM 0 HB3 LYS X 456 5.778 8.504 0.809 1.00 65.35 H new ATOM 0 HG2 LYS X 456 5.946 8.943 -1.710 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.340 8.256 -1.851 1.00 12.34 H new ATOM 0 HD2 LYS X 456 4.025 10.616 -1.665 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.559 9.948 -0.114 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.659 10.600 0.899 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.358 11.004 -0.656 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.661 12.980 0.531 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.742 12.801 -0.885 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 4.064 12.409 0.622 1.00 61.51 H new ATOM 443 N ARG X 457 6.410 5.616 1.909 1.00 71.11 N ATOM 444 CA ARG X 457 7.126 5.222 3.116 1.00 35.12 C ATOM 445 C ARG X 457 8.225 4.214 2.790 1.00 55.14 C ATOM 446 O ARG X 457 9.344 4.317 3.295 1.00 20.31 O ATOM 447 CB ARG X 457 6.158 4.624 4.137 1.00 21.50 C ATOM 448 CG ARG X 457 5.321 5.665 4.864 1.00 50.23 C ATOM 449 CD ARG X 457 6.138 6.402 5.913 1.00 12.04 C ATOM 450 NE ARG X 457 5.608 7.736 6.182 1.00 20.01 N ATOM 451 CZ ARG X 457 6.162 8.588 7.037 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.258 8.248 7.702 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.622 9.786 7.227 1.00 51.31 N ATOM 0 H ARG X 457 5.441 5.300 1.871 1.00 71.11 H new ATOM 0 HA ARG X 457 7.587 6.113 3.542 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.493 3.925 3.629 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.725 4.049 4.870 1.00 21.50 H new ATOM 0 HG2 ARG X 457 4.921 6.379 4.144 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.468 5.181 5.340 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.149 5.823 6.837 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.171 6.484 5.576 1.00 12.04 H new ATOM 0 HE ARG X 457 4.766 8.029 5.686 1.00 20.01 H new ATOM 0 HH11 ARG X 457 7.678 7.330 7.557 1.00 71.32 H new ATOM 0 HH12 ARG X 457 7.681 8.905 8.358 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.781 10.053 6.716 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.049 10.439 7.884 1.00 51.31 H new ATOM 464 N ILE X 458 7.898 3.242 1.947 1.00 20.05 N ATOM 465 CA ILE X 458 8.858 2.216 1.556 1.00 63.42 C ATOM 466 C ILE X 458 10.041 2.826 0.813 1.00 45.00 C ATOM 467 O ILE X 458 11.197 2.602 1.174 1.00 10.42 O ATOM 468 CB ILE X 458 8.203 1.144 0.664 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.020 0.500 1.387 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.226 0.090 0.265 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.431 -0.396 2.536 1.00 74.53 C ATOM 0 H ILE X 458 6.977 3.142 1.521 1.00 20.05 H new ATOM 0 HA ILE X 458 9.211 1.747 2.474 1.00 63.42 H new ATOM 0 HB ILE X 458 7.832 1.623 -0.242 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.364 1.284 1.765 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.440 -0.083 0.671 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.748 -0.660 -0.365 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.039 0.562 -0.286 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.624 -0.388 1.160 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.542 -0.819 3.003 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.062 -1.202 2.161 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.985 0.187 3.272 1.00 74.53 H new ATOM 482 N ILE X 459 9.746 3.599 -0.227 1.00 30.41 N ATOM 483 CA ILE X 459 10.787 4.244 -1.019 1.00 14.13 C ATOM 484 C ILE X 459 11.587 5.230 -0.176 1.00 54.12 C ATOM 485 O ILE X 459 12.798 5.366 -0.345 1.00 73.32 O ATOM 486 CB ILE X 459 10.193 4.986 -2.231 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.308 5.449 -3.170 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.356 6.170 -1.770 1.00 60.12 C ATOM 489 CD1 ILE X 459 10.957 5.321 -4.635 1.00 14.20 C ATOM 0 H ILE X 459 8.795 3.794 -0.541 1.00 30.41 H new ATOM 0 HA ILE X 459 11.448 3.454 -1.375 1.00 14.13 H new ATOM 0 HB ILE X 459 9.546 4.299 -2.777 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.547 6.490 -2.952 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.207 4.867 -2.968 1.00 64.43 H new ATOM 0 HG21 ILE X 459 8.943 6.684 -2.638 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.542 5.816 -1.137 1.00 60.12 H new ATOM 0 HG23 ILE X 459 9.982 6.860 -1.204 1.00 60.12 H new ATOM 0 HD11 ILE X 459 11.794 5.668 -5.241 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.747 4.277 -4.869 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.077 5.926 -4.852 1.00 14.20 H new ATOM 500 N GLU X 460 10.902 5.915 0.735 1.00 70.03 N ATOM 501 CA GLU X 460 11.550 6.889 1.606 1.00 55.24 C ATOM 502 C GLU X 460 12.560 6.209 2.526 1.00 12.02 C ATOM 503 O GLU X 460 13.713 6.625 2.614 1.00 12.20 O ATOM 504 CB GLU X 460 10.506 7.636 2.439 1.00 64.30 C ATOM 505 CG GLU X 460 11.108 8.506 3.530 1.00 23.33 C ATOM 506 CD GLU X 460 10.129 9.534 4.062 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.274 9.165 4.894 1.00 74.02 O ATOM 508 OE2 GLU X 460 10.217 10.709 3.646 1.00 44.32 O ATOM 0 H GLU X 460 9.899 5.813 0.889 1.00 70.03 H new ATOM 0 HA GLU X 460 12.081 7.604 0.977 1.00 55.24 H new ATOM 0 HB2 GLU X 460 9.905 8.260 1.778 1.00 64.30 H new ATOM 0 HB3 GLU X 460 9.831 6.912 2.895 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.445 7.872 4.350 1.00 23.33 H new ATOM 0 HG3 GLU X 460 11.988 9.016 3.139 1.00 23.33 H new ATOM 513 N ALA X 461 12.115 5.159 3.209 1.00 23.10 N ATOM 514 CA ALA X 461 12.979 4.420 4.121 1.00 30.24 C ATOM 515 C ALA X 461 14.172 3.821 3.384 1.00 45.21 C ATOM 516 O ALA X 461 15.307 3.894 3.855 1.00 60.24 O ATOM 517 CB ALA X 461 12.189 3.327 4.826 1.00 43.23 C ATOM 0 H ALA X 461 11.162 4.801 3.148 1.00 23.10 H new ATOM 0 HA ALA X 461 13.360 5.118 4.867 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.846 2.783 5.504 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.374 3.776 5.393 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.781 2.639 4.086 1.00 43.23 H new ATOM 523 N LEU X 462 13.907 3.228 2.225 1.00 41.14 N ATOM 524 CA LEU X 462 14.960 2.615 1.421 1.00 32.12 C ATOM 525 C LEU X 462 16.033 3.636 1.061 1.00 23.05 C ATOM 526 O LEU X 462 17.216 3.426 1.326 1.00 51.52 O ATOM 527 CB LEU X 462 14.368 2.008 0.147 1.00 22.31 C ATOM 528 CG LEU X 462 13.793 0.598 0.281 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.847 0.297 -0.871 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.913 -0.431 0.335 1.00 72.43 C ATOM 0 H LEU X 462 12.973 3.158 1.821 1.00 41.14 H new ATOM 0 HA LEU X 462 15.421 1.824 2.012 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.579 2.668 -0.213 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.144 1.991 -0.618 1.00 22.31 H new ATOM 0 HG LEU X 462 13.229 0.542 1.212 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.447 -0.711 -0.760 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.027 1.015 -0.866 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.388 0.370 -1.815 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.486 -1.429 0.430 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.503 -0.375 -0.580 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.553 -0.227 1.193 1.00 72.43 H new ATOM 541 N GLU X 463 15.612 4.743 0.455 1.00 4.01 N ATOM 542 CA GLU X 463 16.539 5.797 0.060 1.00 14.12 C ATOM 543 C GLU X 463 17.311 6.323 1.266 1.00 33.23 C ATOM 544 O GLU X 463 18.498 6.635 1.171 1.00 3.32 O ATOM 545 CB GLU X 463 15.784 6.943 -0.615 1.00 41.55 C ATOM 546 CG GLU X 463 15.000 6.514 -1.845 1.00 22.34 C ATOM 547 CD GLU X 463 15.681 6.914 -3.140 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.902 7.177 -3.111 1.00 21.41 O ATOM 549 OE2 GLU X 463 14.995 6.962 -4.181 1.00 1.41 O ATOM 0 H GLU X 463 14.636 4.932 0.227 1.00 4.01 H new ATOM 0 HA GLU X 463 17.251 5.373 -0.648 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.098 7.389 0.105 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.496 7.718 -0.900 1.00 41.55 H new ATOM 0 HG2 GLU X 463 14.867 5.432 -1.828 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.005 6.958 -1.810 1.00 22.34 H new ATOM 554 N LYS X 464 16.627 6.421 2.403 1.00 23.51 N ATOM 555 CA LYS X 464 17.246 6.909 3.629 1.00 44.12 C ATOM 556 C LYS X 464 18.194 5.865 4.212 1.00 71.21 C ATOM 557 O LYS X 464 19.120 6.198 4.952 1.00 34.14 O ATOM 558 CB LYS X 464 16.172 7.270 4.658 1.00 41.33 C ATOM 559 CG LYS X 464 15.440 8.563 4.344 1.00 1.43 C ATOM 560 CD LYS X 464 14.212 8.736 5.222 1.00 74.45 C ATOM 561 CE LYS X 464 14.586 9.224 6.613 1.00 13.32 C ATOM 562 NZ LYS X 464 13.384 9.445 7.465 1.00 54.43 N ATOM 0 H LYS X 464 15.643 6.168 2.499 1.00 23.51 H new ATOM 0 HA LYS X 464 17.822 7.802 3.386 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.448 6.457 4.716 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.636 7.354 5.641 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.114 9.408 4.488 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.142 8.568 3.295 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.528 9.447 4.757 1.00 74.45 H new ATOM 0 HD3 LYS X 464 13.681 7.787 5.299 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.240 8.494 7.090 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.150 10.153 6.532 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 13.681 9.777 8.405 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 12.772 10.160 7.023 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 12.859 8.553 7.563 1.00 54.43 H new ATOM 572 N THR X 465 17.955 4.601 3.875 1.00 13.11 N ATOM 573 CA THR X 465 18.788 3.510 4.364 1.00 52.11 C ATOM 574 C THR X 465 19.909 3.190 3.383 1.00 75.51 C ATOM 575 O THR X 465 20.851 2.471 3.714 1.00 65.34 O ATOM 576 CB THR X 465 17.957 2.236 4.609 1.00 42.21 C ATOM 577 OG1 THR X 465 17.202 1.912 3.437 1.00 52.14 O ATOM 578 CG2 THR X 465 17.015 2.423 5.789 1.00 61.42 C ATOM 0 H THR X 465 17.191 4.308 3.265 1.00 13.11 H new ATOM 0 HA THR X 465 19.220 3.842 5.308 1.00 52.11 H new ATOM 0 HB THR X 465 18.642 1.420 4.837 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.494 2.479 2.693 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.439 1.511 5.943 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.594 2.642 6.686 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.336 3.251 5.585 1.00 61.42 H new ATOM 586 N GLY X 466 19.804 3.732 2.173 1.00 31.45 N ATOM 587 CA GLY X 466 20.817 3.492 1.163 1.00 73.12 C ATOM 588 C GLY X 466 20.428 2.386 0.202 1.00 2.02 C ATOM 589 O GLY X 466 21.268 1.578 -0.198 1.00 72.31 O ATOM 0 H GLY X 466 19.035 4.333 1.875 1.00 31.45 H new ATOM 0 HA2 GLY X 466 20.992 4.411 0.603 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.757 3.232 1.650 1.00 73.12 H new ATOM 593 N TYR X 467 19.153 2.346 -0.167 1.00 22.12 N ATOM 594 CA TYR X 467 18.654 1.327 -1.083 1.00 42.34 C ATOM 595 C TYR X 467 18.858 -0.070 -0.508 1.00 41.45 C ATOM 596 O TYR X 467 19.411 -0.952 -1.166 1.00 0.12 O ATOM 597 CB TYR X 467 19.357 1.441 -2.438 1.00 12.11 C ATOM 598 CG TYR X 467 19.186 2.791 -3.098 1.00 64.22 C ATOM 599 CD1 TYR X 467 17.922 3.301 -3.364 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.289 3.555 -3.455 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.761 4.533 -3.967 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.138 4.789 -4.057 1.00 24.43 C ATOM 603 CZ TYR X 467 18.871 5.274 -4.312 1.00 42.32 C ATOM 604 OH TYR X 467 18.717 6.502 -4.912 1.00 45.41 O ATOM 0 H TYR X 467 18.446 3.007 0.154 1.00 22.12 H new ATOM 0 HA TYR X 467 17.585 1.491 -1.220 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.421 1.244 -2.304 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.971 0.669 -3.104 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.050 2.724 -3.095 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.282 3.178 -3.259 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.770 4.914 -4.167 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.007 5.371 -4.327 1.00 24.43 H new ATOM 0 HH TYR X 467 18.046 7.023 -4.423 1.00 45.41 H new ATOM 613 N VAL X 468 18.406 -0.266 0.727 1.00 21.22 N ATOM 614 CA VAL X 468 18.536 -1.556 1.394 1.00 11.54 C ATOM 615 C VAL X 468 17.188 -2.049 1.907 1.00 22.10 C ATOM 616 O VAL X 468 16.521 -1.368 2.686 1.00 25.15 O ATOM 617 CB VAL X 468 19.526 -1.482 2.572 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.758 -2.865 3.161 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.839 -0.856 2.126 1.00 32.52 C ATOM 0 H VAL X 468 17.946 0.453 1.286 1.00 21.22 H new ATOM 0 HA VAL X 468 18.917 -2.258 0.652 1.00 11.54 H new ATOM 0 HB VAL X 468 19.094 -0.850 3.348 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.460 -2.794 3.992 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.812 -3.271 3.519 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.169 -3.523 2.395 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.526 -0.812 2.971 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.279 -1.459 1.332 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.654 0.152 1.755 1.00 32.52 H new ATOM 629 N LYS X 469 16.791 -3.237 1.465 1.00 2.33 N ATOM 630 CA LYS X 469 15.522 -3.824 1.881 1.00 73.34 C ATOM 631 C LYS X 469 15.546 -4.178 3.364 1.00 0.52 C ATOM 632 O LYS X 469 14.597 -3.893 4.094 1.00 43.22 O ATOM 633 CB LYS X 469 15.220 -5.074 1.052 1.00 64.33 C ATOM 634 CG LYS X 469 16.327 -6.113 1.091 1.00 65.33 C ATOM 635 CD LYS X 469 16.457 -6.841 -0.236 1.00 74.35 C ATOM 636 CE LYS X 469 17.065 -5.947 -1.305 1.00 63.33 C ATOM 637 NZ LYS X 469 16.812 -6.471 -2.676 1.00 50.11 N ATOM 0 H LYS X 469 17.330 -3.813 0.818 1.00 2.33 H new ATOM 0 HA LYS X 469 14.737 -3.086 1.715 1.00 73.34 H new ATOM 0 HB2 LYS X 469 14.297 -5.526 1.415 1.00 64.33 H new ATOM 0 HB3 LYS X 469 15.046 -4.780 0.017 1.00 64.33 H new ATOM 0 HG2 LYS X 469 17.273 -5.629 1.335 1.00 65.33 H new ATOM 0 HG3 LYS X 469 16.123 -6.833 1.883 1.00 65.33 H new ATOM 0 HD2 LYS X 469 17.077 -7.728 -0.106 1.00 74.35 H new ATOM 0 HD3 LYS X 469 15.475 -7.183 -0.562 1.00 74.35 H new ATOM 0 HE2 LYS X 469 16.650 -4.943 -1.218 1.00 63.33 H new ATOM 0 HE3 LYS X 469 18.139 -5.863 -1.141 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 17.242 -5.834 -3.376 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 17.230 -7.419 -2.768 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 15.787 -6.527 -2.843 1.00 50.11 H new ATOM 647 N SER X 470 16.637 -4.798 3.802 1.00 71.13 N ATOM 648 CA SER X 470 16.783 -5.192 5.199 1.00 51.22 C ATOM 649 C SER X 470 16.636 -3.987 6.121 1.00 51.22 C ATOM 650 O SER X 470 15.834 -4.001 7.056 1.00 14.32 O ATOM 651 CB SER X 470 18.142 -5.857 5.423 1.00 52.44 C ATOM 652 OG SER X 470 18.240 -6.388 6.733 1.00 5.24 O ATOM 0 H SER X 470 17.432 -5.038 3.210 1.00 71.13 H new ATOM 0 HA SER X 470 15.994 -5.906 5.434 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.285 -6.653 4.693 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.937 -5.129 5.262 1.00 52.44 H new ATOM 0 HG SER X 470 19.117 -6.809 6.851 1.00 5.24 H new ATOM 657 N ARG X 471 17.415 -2.944 5.853 1.00 75.24 N ATOM 658 CA ARG X 471 17.372 -1.730 6.659 1.00 11.02 C ATOM 659 C ARG X 471 16.004 -1.062 6.564 1.00 64.24 C ATOM 660 O ARG X 471 15.400 -0.714 7.579 1.00 23.30 O ATOM 661 CB ARG X 471 18.460 -0.755 6.209 1.00 3.34 C ATOM 662 CG ARG X 471 19.873 -1.263 6.448 1.00 74.42 C ATOM 663 CD ARG X 471 20.892 -0.487 5.631 1.00 11.42 C ATOM 664 NE ARG X 471 22.122 -1.245 5.424 1.00 42.13 N ATOM 665 CZ ARG X 471 23.157 -0.791 4.726 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.111 0.412 4.171 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.243 -1.541 4.584 1.00 13.40 N ATOM 0 H ARG X 471 18.084 -2.915 5.083 1.00 75.24 H new ATOM 0 HA ARG X 471 17.550 -2.008 7.698 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.333 -0.548 5.146 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.329 0.190 6.736 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.116 -1.180 7.507 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.928 -2.321 6.190 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.460 -0.228 4.665 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.125 0.450 6.138 1.00 11.42 H new ATOM 0 HE ARG X 471 22.191 -2.175 5.838 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.279 0.992 4.279 1.00 54.24 H new ATOM 0 HH12 ARG X 471 23.908 0.757 3.636 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.283 -2.466 5.011 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.037 -1.192 4.048 1.00 13.40 H new ATOM 678 N ALA X 472 15.521 -0.885 5.339 1.00 63.50 N ATOM 679 CA ALA X 472 14.224 -0.260 5.112 1.00 51.02 C ATOM 680 C ALA X 472 13.115 -1.021 5.831 1.00 14.44 C ATOM 681 O ALA X 472 12.167 -0.421 6.338 1.00 62.31 O ATOM 682 CB ALA X 472 13.932 -0.180 3.621 1.00 12.21 C ATOM 0 H ALA X 472 16.009 -1.166 4.488 1.00 63.50 H new ATOM 0 HA ALA X 472 14.258 0.750 5.519 1.00 51.02 H new ATOM 0 HB1 ALA X 472 12.960 0.289 3.465 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.704 0.413 3.130 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.922 -1.184 3.198 1.00 12.21 H new ATOM 688 N ALA X 473 13.239 -2.343 5.871 1.00 33.12 N ATOM 689 CA ALA X 473 12.248 -3.184 6.529 1.00 5.31 C ATOM 690 C ALA X 473 12.254 -2.961 8.037 1.00 1.25 C ATOM 691 O ALA X 473 11.215 -2.687 8.639 1.00 50.13 O ATOM 692 CB ALA X 473 12.503 -4.650 6.209 1.00 61.31 C ATOM 0 H ALA X 473 14.017 -2.855 5.455 1.00 33.12 H new ATOM 0 HA ALA X 473 11.264 -2.907 6.151 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.755 -5.267 6.707 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.441 -4.803 5.132 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.496 -4.931 6.559 1.00 61.31 H new ATOM 698 N LYS X 474 13.430 -3.082 8.644 1.00 62.03 N ATOM 699 CA LYS X 474 13.571 -2.892 10.082 1.00 24.40 C ATOM 700 C LYS X 474 13.229 -1.460 10.480 1.00 54.40 C ATOM 701 O LYS X 474 12.662 -1.219 11.547 1.00 74.45 O ATOM 702 CB LYS X 474 14.997 -3.230 10.524 1.00 34.32 C ATOM 703 CG LYS X 474 16.058 -2.365 9.864 1.00 3.21 C ATOM 704 CD LYS X 474 17.447 -2.695 10.385 1.00 54.32 C ATOM 705 CE LYS X 474 17.822 -1.815 11.568 1.00 20.00 C ATOM 706 NZ LYS X 474 19.279 -1.882 11.869 1.00 3.13 N ATOM 0 H LYS X 474 14.299 -3.311 8.162 1.00 62.03 H new ATOM 0 HA LYS X 474 12.873 -3.564 10.582 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.070 -3.118 11.606 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.201 -4.277 10.298 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.029 -2.511 8.784 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.839 -1.313 10.049 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.486 -3.743 10.683 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.177 -2.564 9.586 1.00 54.32 H new ATOM 0 HE2 LYS X 474 17.542 -0.783 11.356 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.255 -2.125 12.446 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.494 -1.269 12.681 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.542 -2.862 12.096 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 19.820 -1.562 11.040 1.00 3.13 H new ATOM 716 N LEU X 475 13.577 -0.512 9.616 1.00 10.44 N ATOM 717 CA LEU X 475 13.306 0.897 9.876 1.00 74.31 C ATOM 718 C LEU X 475 11.807 1.177 9.849 1.00 24.12 C ATOM 719 O LEU X 475 11.263 1.794 10.766 1.00 74.13 O ATOM 720 CB LEU X 475 14.018 1.772 8.843 1.00 52.05 C ATOM 721 CG LEU X 475 14.376 3.188 9.296 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.230 3.884 8.247 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.116 3.992 9.580 1.00 53.02 C ATOM 0 H LEU X 475 14.047 -0.694 8.729 1.00 10.44 H new ATOM 0 HA LEU X 475 13.684 1.137 10.870 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.935 1.267 8.538 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.385 1.844 7.959 1.00 52.05 H new ATOM 0 HG LEU X 475 14.954 3.119 10.218 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.475 4.890 8.587 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.149 3.319 8.093 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.678 3.942 7.309 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.390 4.997 9.901 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.511 4.053 8.675 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.542 3.503 10.368 1.00 53.02 H new ATOM 734 N LEU X 476 11.143 0.718 8.794 1.00 14.12 N ATOM 735 CA LEU X 476 9.706 0.917 8.649 1.00 2.33 C ATOM 736 C LEU X 476 8.936 0.102 9.683 1.00 41.31 C ATOM 737 O LEU X 476 7.881 0.520 10.159 1.00 65.41 O ATOM 738 CB LEU X 476 9.256 0.527 7.239 1.00 21.22 C ATOM 739 CG LEU X 476 9.688 1.467 6.114 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.735 0.724 4.787 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.750 2.661 6.027 1.00 71.10 C ATOM 0 H LEU X 476 11.577 0.205 8.026 1.00 14.12 H new ATOM 0 HA LEU X 476 9.493 1.973 8.813 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.638 -0.470 7.020 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.168 0.460 7.232 1.00 21.22 H new ATOM 0 HG LEU X 476 10.690 1.834 6.337 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.044 1.409 3.997 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.448 -0.097 4.855 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.746 0.328 4.557 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.073 3.319 5.221 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.736 2.314 5.828 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.768 3.207 6.970 1.00 71.10 H new ATOM 752 N GLY X 477 9.473 -1.064 10.031 1.00 45.23 N ATOM 753 CA GLY X 477 8.824 -1.918 11.009 1.00 22.13 C ATOM 754 C GLY X 477 8.220 -3.160 10.384 1.00 61.31 C ATOM 755 O GLY X 477 7.396 -3.835 11.001 1.00 35.21 O ATOM 0 H GLY X 477 10.346 -1.432 9.653 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.549 -2.213 11.768 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.042 -1.354 11.517 1.00 22.13 H new ATOM 759 N TYR X 478 8.630 -3.462 9.157 1.00 41.35 N ATOM 760 CA TYR X 478 8.121 -4.630 8.447 1.00 51.13 C ATOM 761 C TYR X 478 9.225 -5.661 8.233 1.00 65.31 C ATOM 762 O TYR X 478 10.412 -5.347 8.328 1.00 40.51 O ATOM 763 CB TYR X 478 7.528 -4.214 7.100 1.00 71.43 C ATOM 764 CG TYR X 478 6.636 -2.996 7.181 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.718 -2.850 8.213 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.714 -1.990 6.226 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.900 -1.739 8.290 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.902 -0.874 6.296 1.00 51.13 C ATOM 769 CZ TYR X 478 4.996 -0.753 7.329 1.00 63.32 C ATOM 770 OH TYR X 478 4.185 0.355 7.403 1.00 43.33 O ATOM 0 H TYR X 478 9.313 -2.915 8.633 1.00 41.35 H new ATOM 0 HA TYR X 478 7.339 -5.083 9.057 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.340 -4.013 6.401 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.955 -5.047 6.692 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.642 -3.618 8.968 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.421 -2.082 5.415 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.189 -1.643 9.098 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.976 -0.101 5.546 1.00 51.13 H new ATOM 0 HH TYR X 478 4.021 0.701 6.501 1.00 43.33 H new ATOM 779 N THR X 479 8.824 -6.895 7.943 1.00 31.11 N ATOM 780 CA THR X 479 9.777 -7.974 7.717 1.00 32.34 C ATOM 781 C THR X 479 10.188 -8.046 6.250 1.00 71.23 C ATOM 782 O THR X 479 9.534 -7.463 5.382 1.00 3.54 O ATOM 783 CB THR X 479 9.195 -9.336 8.141 1.00 31.32 C ATOM 784 OG1 THR X 479 10.136 -10.379 7.863 1.00 41.35 O ATOM 785 CG2 THR X 479 7.889 -9.618 7.413 1.00 33.32 C ATOM 0 H THR X 479 7.846 -7.172 7.859 1.00 31.11 H new ATOM 0 HA THR X 479 10.653 -7.755 8.328 1.00 32.34 H new ATOM 0 HB THR X 479 8.995 -9.303 9.212 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.759 -11.241 8.137 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.498 -10.585 7.729 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.165 -8.839 7.650 1.00 33.32 H new ATOM 0 HG23 THR X 479 8.068 -9.633 6.338 1.00 33.32 H new ATOM 793 N LEU X 480 11.273 -8.761 5.979 1.00 51.22 N ATOM 794 CA LEU X 480 11.771 -8.909 4.615 1.00 73.24 C ATOM 795 C LEU X 480 10.653 -9.339 3.671 1.00 73.11 C ATOM 796 O LEU X 480 10.598 -8.904 2.520 1.00 12.40 O ATOM 797 CB LEU X 480 12.909 -9.931 4.575 1.00 54.35 C ATOM 798 CG LEU X 480 13.650 -10.059 3.244 1.00 42.31 C ATOM 799 CD1 LEU X 480 15.088 -10.496 3.473 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.933 -11.038 2.326 1.00 24.30 C ATOM 0 H LEU X 480 11.826 -9.248 6.685 1.00 51.22 H new ATOM 0 HA LEU X 480 12.148 -7.941 4.285 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.633 -9.669 5.347 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.503 -10.908 4.837 1.00 54.35 H new ATOM 0 HG LEU X 480 13.662 -9.082 2.762 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.599 -10.582 2.514 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.598 -9.758 4.092 1.00 10.34 H new ATOM 0 HD13 LEU X 480 15.099 -11.462 3.977 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.475 -11.116 1.383 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.889 -12.018 2.802 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.921 -10.682 2.134 1.00 24.30 H new ATOM 811 N ARG X 481 9.764 -10.193 4.165 1.00 60.01 N ATOM 812 CA ARG X 481 8.646 -10.681 3.365 1.00 5.23 C ATOM 813 C ARG X 481 7.677 -9.549 3.039 1.00 63.40 C ATOM 814 O ARG X 481 7.314 -9.345 1.880 1.00 34.21 O ATOM 815 CB ARG X 481 7.910 -11.799 4.107 1.00 22.32 C ATOM 816 CG ARG X 481 8.184 -13.185 3.546 1.00 15.42 C ATOM 817 CD ARG X 481 7.344 -14.244 4.243 1.00 33.20 C ATOM 818 NE ARG X 481 7.384 -14.104 5.696 1.00 11.02 N ATOM 819 CZ ARG X 481 8.451 -14.394 6.433 1.00 23.35 C ATOM 820 NH1 ARG X 481 9.560 -14.837 5.855 1.00 64.23 N ATOM 821 NH2 ARG X 481 8.410 -14.242 7.751 1.00 54.34 N ATOM 0 H ARG X 481 9.795 -10.562 5.115 1.00 60.01 H new ATOM 0 HA ARG X 481 9.045 -11.076 2.431 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.199 -11.778 5.158 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.838 -11.606 4.067 1.00 22.32 H new ATOM 0 HG2 ARG X 481 7.970 -13.195 2.477 1.00 15.42 H new ATOM 0 HG3 ARG X 481 9.241 -13.423 3.662 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.312 -14.172 3.900 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.704 -15.234 3.964 1.00 33.20 H new ATOM 0 HE ARG X 481 6.547 -13.765 6.171 1.00 11.02 H new ATOM 0 HH11 ARG X 481 9.595 -14.956 4.843 1.00 64.23 H new ATOM 0 HH12 ARG X 481 10.378 -15.059 6.423 1.00 64.23 H new ATOM 0 HH21 ARG X 481 7.559 -13.902 8.199 1.00 54.34 H new ATOM 0 HH22 ARG X 481 9.230 -14.465 8.316 1.00 54.34 H new ATOM 832 N GLN X 482 7.262 -8.817 4.068 1.00 43.45 N ATOM 833 CA GLN X 482 6.333 -7.706 3.889 1.00 74.43 C ATOM 834 C GLN X 482 6.921 -6.649 2.960 1.00 15.22 C ATOM 835 O GLN X 482 6.310 -6.279 1.957 1.00 24.12 O ATOM 836 CB GLN X 482 5.989 -7.080 5.241 1.00 61.30 C ATOM 837 CG GLN X 482 5.075 -7.941 6.096 1.00 11.44 C ATOM 838 CD GLN X 482 3.846 -8.414 5.343 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.723 -9.593 5.011 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.929 -7.495 5.070 1.00 62.51 N ATOM 0 H GLN X 482 7.554 -8.972 5.033 1.00 43.45 H new ATOM 0 HA GLN X 482 5.422 -8.096 3.435 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.912 -6.890 5.789 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.512 -6.114 5.074 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.631 -8.806 6.457 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.763 -7.374 6.973 1.00 11.44 H new ATOM 0 HE21 GLN X 482 3.072 -6.529 5.364 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.081 -7.755 4.566 1.00 62.51 H new ATOM 847 N LEU X 483 8.111 -6.165 3.300 1.00 30.43 N ATOM 848 CA LEU X 483 8.782 -5.151 2.496 1.00 23.25 C ATOM 849 C LEU X 483 8.898 -5.595 1.042 1.00 43.34 C ATOM 850 O LEU X 483 8.509 -4.869 0.128 1.00 12.42 O ATOM 851 CB LEU X 483 10.173 -4.860 3.064 1.00 32.11 C ATOM 852 CG LEU X 483 10.852 -3.586 2.557 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.658 -2.448 3.546 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.334 -3.835 2.311 1.00 65.25 C ATOM 0 H LEU X 483 8.630 -6.459 4.127 1.00 30.43 H new ATOM 0 HA LEU X 483 8.183 -4.241 2.531 1.00 23.25 H new ATOM 0 HB2 LEU X 483 10.095 -4.799 4.149 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.820 -5.707 2.838 1.00 32.11 H new ATOM 0 HG LEU X 483 10.389 -3.301 1.612 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.148 -1.550 3.168 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.593 -2.254 3.673 1.00 33.51 H new ATOM 0 HD13 LEU X 483 11.094 -2.722 4.507 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.802 -2.919 1.951 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.810 -4.144 3.241 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.452 -4.620 1.565 1.00 65.25 H new ATOM 865 N ASP X 484 9.433 -6.794 0.836 1.00 4.40 N ATOM 866 CA ASP X 484 9.596 -7.338 -0.507 1.00 74.33 C ATOM 867 C ASP X 484 8.275 -7.310 -1.269 1.00 23.13 C ATOM 868 O ASP X 484 8.225 -6.908 -2.431 1.00 2.41 O ATOM 869 CB ASP X 484 10.131 -8.768 -0.440 1.00 53.22 C ATOM 870 CG ASP X 484 10.283 -9.396 -1.811 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.855 -8.736 -2.704 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.829 -10.545 -1.992 1.00 12.45 O ATOM 0 H ASP X 484 9.761 -7.407 1.582 1.00 4.40 H new ATOM 0 HA ASP X 484 10.315 -6.715 -1.040 1.00 74.33 H new ATOM 0 HB2 ASP X 484 11.097 -8.768 0.065 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.457 -9.377 0.162 1.00 53.22 H new ATOM 876 N TYR X 485 7.208 -7.743 -0.607 1.00 62.24 N ATOM 877 CA TYR X 485 5.886 -7.771 -1.222 1.00 54.52 C ATOM 878 C TYR X 485 5.464 -6.377 -1.672 1.00 35.33 C ATOM 879 O TYR X 485 4.826 -6.214 -2.712 1.00 43.32 O ATOM 880 CB TYR X 485 4.856 -8.337 -0.242 1.00 42.42 C ATOM 881 CG TYR X 485 3.695 -9.029 -0.918 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.883 -10.202 -1.640 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.408 -8.512 -0.834 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.824 -10.837 -2.260 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.342 -9.142 -1.449 1.00 35.54 C ATOM 886 CZ TYR X 485 1.557 -10.303 -2.161 1.00 72.11 C ATOM 887 OH TYR X 485 0.499 -10.935 -2.775 1.00 32.54 O ATOM 0 H TYR X 485 7.232 -8.079 0.356 1.00 62.24 H new ATOM 0 HA TYR X 485 5.936 -8.416 -2.099 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.351 -9.043 0.425 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.474 -7.527 0.379 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.874 -10.624 -1.718 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.237 -7.602 -0.278 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.988 -11.746 -2.819 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.348 -8.728 -1.372 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.325 -10.431 -2.608 1.00 32.54 H new ATOM 896 N ARG X 486 5.827 -5.372 -0.882 1.00 30.20 N ATOM 897 CA ARG X 486 5.486 -3.990 -1.197 1.00 23.23 C ATOM 898 C ARG X 486 6.305 -3.484 -2.382 1.00 23.24 C ATOM 899 O ARG X 486 5.803 -2.740 -3.223 1.00 73.10 O ATOM 900 CB ARG X 486 5.724 -3.093 0.020 1.00 32.34 C ATOM 901 CG ARG X 486 4.501 -2.935 0.908 1.00 43.42 C ATOM 902 CD ARG X 486 4.451 -4.009 1.984 1.00 11.40 C ATOM 903 NE ARG X 486 3.241 -3.915 2.795 1.00 15.11 N ATOM 904 CZ ARG X 486 3.083 -3.037 3.780 1.00 21.53 C ATOM 905 NH1 ARG X 486 4.053 -2.182 4.071 1.00 34.32 N ATOM 906 NH2 ARG X 486 1.952 -3.012 4.473 1.00 1.14 N ATOM 0 H ARG X 486 6.357 -5.489 -0.019 1.00 30.20 H new ATOM 0 HA ARG X 486 4.430 -3.955 -1.465 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.541 -3.506 0.611 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.044 -2.109 -0.322 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.514 -1.950 1.376 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.599 -2.986 0.299 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.499 -4.993 1.517 1.00 11.40 H new ATOM 0 HD3 ARG X 486 5.326 -3.919 2.627 1.00 11.40 H new ATOM 0 HE ARG X 486 2.475 -4.558 2.595 1.00 15.11 H new ATOM 0 HH11 ARG X 486 4.923 -2.197 3.539 1.00 34.32 H new ATOM 0 HH12 ARG X 486 3.930 -1.509 4.827 1.00 34.32 H new ATOM 0 HH21 ARG X 486 1.203 -3.667 4.250 1.00 1.14 H new ATOM 0 HH22 ARG X 486 1.832 -2.338 5.229 1.00 1.14 H new ATOM 917 N ILE X 487 7.568 -3.895 -2.440 1.00 12.05 N ATOM 918 CA ILE X 487 8.454 -3.486 -3.522 1.00 10.12 C ATOM 919 C ILE X 487 7.971 -4.025 -4.864 1.00 62.30 C ATOM 920 O ILE X 487 8.003 -3.325 -5.876 1.00 15.43 O ATOM 921 CB ILE X 487 9.897 -3.964 -3.278 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.460 -3.331 -2.004 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.776 -3.629 -4.475 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.406 -1.820 -2.005 1.00 35.13 C ATOM 0 H ILE X 487 8.000 -4.510 -1.751 1.00 12.05 H new ATOM 0 HA ILE X 487 8.440 -2.396 -3.546 1.00 10.12 H new ATOM 0 HB ILE X 487 9.888 -5.046 -3.150 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.903 -3.706 -1.145 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.495 -3.649 -1.877 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.793 -3.973 -4.287 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.384 -4.123 -5.364 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.781 -2.550 -4.632 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.821 -1.440 -1.072 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.987 -1.436 -2.843 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.371 -1.493 -2.101 1.00 35.13 H new ATOM 935 N LYS X 488 7.521 -5.275 -4.865 1.00 1.41 N ATOM 936 CA LYS X 488 7.027 -5.910 -6.081 1.00 43.53 C ATOM 937 C LYS X 488 5.657 -5.359 -6.464 1.00 53.44 C ATOM 938 O LYS X 488 5.367 -5.154 -7.643 1.00 72.22 O ATOM 939 CB LYS X 488 6.944 -7.427 -5.892 1.00 2.51 C ATOM 940 CG LYS X 488 6.054 -7.848 -4.736 1.00 3.34 C ATOM 941 CD LYS X 488 6.012 -9.360 -4.586 1.00 3.43 C ATOM 942 CE LYS X 488 5.217 -10.009 -5.707 1.00 41.43 C ATOM 943 NZ LYS X 488 5.447 -11.479 -5.771 1.00 22.33 N ATOM 0 H LYS X 488 7.488 -5.869 -4.036 1.00 1.41 H new ATOM 0 HA LYS X 488 7.727 -5.689 -6.887 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.570 -7.879 -6.811 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.948 -7.820 -5.729 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.420 -7.400 -3.812 1.00 3.34 H new ATOM 0 HG3 LYS X 488 5.045 -7.469 -4.896 1.00 3.34 H new ATOM 0 HD2 LYS X 488 7.028 -9.755 -4.583 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.567 -9.619 -3.625 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.155 -9.814 -5.559 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.495 -9.556 -6.659 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 4.887 -11.884 -6.548 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.457 -11.666 -5.937 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 5.158 -11.915 -4.872 1.00 22.33 H new ATOM 953 N LYS X 489 4.819 -5.121 -5.462 1.00 24.34 N ATOM 954 CA LYS X 489 3.480 -4.591 -5.693 1.00 21.32 C ATOM 955 C LYS X 489 3.543 -3.146 -6.174 1.00 63.33 C ATOM 956 O LYS X 489 2.851 -2.765 -7.118 1.00 53.33 O ATOM 957 CB LYS X 489 2.647 -4.677 -4.412 1.00 54.52 C ATOM 958 CG LYS X 489 1.702 -5.867 -4.380 1.00 54.51 C ATOM 959 CD LYS X 489 2.456 -7.181 -4.492 1.00 14.12 C ATOM 960 CE LYS X 489 1.508 -8.352 -4.694 1.00 62.31 C ATOM 961 NZ LYS X 489 0.865 -8.321 -6.037 1.00 3.10 N ATOM 0 H LYS X 489 5.043 -5.287 -4.481 1.00 24.34 H new ATOM 0 HA LYS X 489 3.007 -5.194 -6.468 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.318 -4.733 -3.555 1.00 54.52 H new ATOM 0 HB3 LYS X 489 2.067 -3.760 -4.303 1.00 54.52 H new ATOM 0 HG2 LYS X 489 1.129 -5.853 -3.453 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.986 -5.786 -5.198 1.00 54.51 H new ATOM 0 HD2 LYS X 489 3.156 -7.130 -5.326 1.00 14.12 H new ATOM 0 HD3 LYS X 489 3.046 -7.341 -3.590 1.00 14.12 H new ATOM 0 HE2 LYS X 489 2.056 -9.287 -4.575 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.738 -8.333 -3.922 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 0.419 -9.241 -6.230 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 0.142 -7.574 -6.058 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 1.585 -8.127 -6.762 1.00 3.10 H new ATOM 971 N TYR X 490 4.377 -2.345 -5.520 1.00 63.10 N ATOM 972 CA TYR X 490 4.529 -0.940 -5.882 1.00 65.13 C ATOM 973 C TYR X 490 5.590 -0.767 -6.963 1.00 43.30 C ATOM 974 O TYR X 490 5.824 0.339 -7.448 1.00 45.35 O ATOM 975 CB TYR X 490 4.901 -0.113 -4.649 1.00 31.24 C ATOM 976 CG TYR X 490 3.844 -0.125 -3.570 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.543 0.287 -3.838 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.143 -0.548 -2.281 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.575 0.278 -2.853 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.180 -0.562 -1.290 1.00 30.22 C ATOM 981 CZ TYR X 490 1.898 -0.147 -1.582 1.00 51.31 C ATOM 982 OH TYR X 490 0.935 -0.159 -0.599 1.00 54.23 O ATOM 0 H TYR X 490 4.958 -2.644 -4.737 1.00 63.10 H new ATOM 0 HA TYR X 490 3.576 -0.587 -6.276 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.835 -0.494 -4.235 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.084 0.917 -4.955 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.285 0.619 -4.833 1.00 32.02 H new ATOM 0 HD2 TYR X 490 5.147 -0.872 -2.049 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.570 0.602 -3.077 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.430 -0.896 -0.294 1.00 30.22 H new ATOM 0 HH TYR X 490 1.129 -0.875 0.041 1.00 54.23 H new ATOM 991 N GLY X 491 6.229 -1.872 -7.338 1.00 12.33 N ATOM 992 CA GLY X 491 7.257 -1.823 -8.361 1.00 73.13 C ATOM 993 C GLY X 491 8.305 -0.765 -8.079 1.00 70.25 C ATOM 994 O GLY X 491 8.702 -0.020 -8.977 1.00 25.21 O ATOM 0 H GLY X 491 6.053 -2.799 -6.951 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.740 -2.798 -8.434 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.794 -1.623 -9.328 1.00 73.13 H new ATOM 998 N ILE X 492 8.754 -0.696 -6.831 1.00 33.34 N ATOM 999 CA ILE X 492 9.761 0.279 -6.435 1.00 12.35 C ATOM 1000 C ILE X 492 11.154 -0.161 -6.870 1.00 73.33 C ATOM 1001 O ILE X 492 11.436 -1.354 -6.966 1.00 45.43 O ATOM 1002 CB ILE X 492 9.759 0.503 -4.910 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.325 0.626 -4.393 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.564 1.745 -4.556 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.235 0.773 -2.890 1.00 21.21 C ATOM 0 H ILE X 492 8.436 -1.304 -6.076 1.00 33.34 H new ATOM 0 HA ILE X 492 9.506 1.215 -6.933 1.00 12.35 H new ATOM 0 HB ILE X 492 10.226 -0.357 -4.430 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.850 1.487 -4.863 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.760 -0.255 -4.698 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.553 1.890 -3.476 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.592 1.621 -4.895 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.124 2.615 -5.043 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.189 0.855 -2.594 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.680 -0.100 -2.412 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.771 1.670 -2.579 1.00 21.21 H new ATOM 1016 N GLU X 493 12.022 0.813 -7.132 1.00 41.10 N ATOM 1017 CA GLU X 493 13.387 0.524 -7.557 1.00 52.04 C ATOM 1018 C GLU X 493 14.353 0.608 -6.379 1.00 43.33 C ATOM 1019 O GLU X 493 14.011 1.131 -5.317 1.00 63.45 O ATOM 1020 CB GLU X 493 13.818 1.498 -8.656 1.00 63.11 C ATOM 1021 CG GLU X 493 12.893 1.506 -9.860 1.00 11.52 C ATOM 1022 CD GLU X 493 12.974 2.797 -10.651 1.00 74.15 C ATOM 1023 OE1 GLU X 493 14.059 3.417 -10.666 1.00 62.13 O ATOM 1024 OE2 GLU X 493 11.953 3.189 -11.254 1.00 70.23 O ATOM 0 H GLU X 493 11.804 1.807 -7.057 1.00 41.10 H new ATOM 0 HA GLU X 493 13.411 -0.492 -7.951 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.867 2.504 -8.239 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.825 1.240 -8.984 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.144 0.669 -10.512 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.867 1.353 -9.526 1.00 11.52 H new