USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 301 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 455 LYS NZ :NH3+ 160:sc= -0.457 (180deg=-0.759) 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 8:sc= 0.416 USER MOD Single : X 467 TYR OH : rot 49:sc= 1.1 USER MOD Single : X 469 LYS NZ :NH3+ -134:sc= 0.405 (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 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.305 USER MOD Single : X 482 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.38) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -131:sc= -0.448 (180deg=-1.74!) USER MOD Single : X 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 490 TYR OH : rot 136:sc= -1.49 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.132 5.060 1.466 1.00 61.44 N ATOM 395 CA GLU X 454 2.780 3.762 1.611 1.00 4.33 C ATOM 396 C GLU X 454 4.000 3.659 0.700 1.00 54.22 C ATOM 397 O GLU X 454 5.089 3.287 1.139 1.00 33.03 O ATOM 398 CB GLU X 454 1.795 2.635 1.292 1.00 4.25 C ATOM 399 CG GLU X 454 2.307 1.255 1.667 1.00 54.45 C ATOM 400 CD GLU X 454 2.498 1.090 3.162 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.495 0.849 3.865 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.651 1.201 3.629 1.00 25.31 O ATOM 0 HA GLU X 454 3.110 3.663 2.645 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.859 2.822 1.819 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.569 2.652 0.226 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.605 0.502 1.309 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.255 1.074 1.161 1.00 54.45 H new ATOM 407 N LYS X 455 3.810 3.991 -0.573 1.00 25.33 N ATOM 408 CA LYS X 455 4.893 3.936 -1.548 1.00 0.54 C ATOM 409 C LYS X 455 5.993 4.933 -1.195 1.00 62.42 C ATOM 410 O LYS X 455 7.180 4.610 -1.255 1.00 21.12 O ATOM 411 CB LYS X 455 4.357 4.227 -2.951 1.00 34.23 C ATOM 412 CG LYS X 455 5.416 4.134 -4.038 1.00 13.52 C ATOM 413 CD LYS X 455 5.757 5.503 -4.602 1.00 51.32 C ATOM 414 CE LYS X 455 6.993 6.088 -3.936 1.00 3.43 C ATOM 415 NZ LYS X 455 7.780 6.936 -4.874 1.00 10.05 N ATOM 0 H LYS X 455 2.916 4.301 -0.953 1.00 25.33 H new ATOM 0 HA LYS X 455 5.317 2.932 -1.528 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.554 3.526 -3.177 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.921 5.226 -2.964 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.316 3.672 -3.632 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.060 3.487 -4.840 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.924 5.424 -5.676 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.912 6.177 -4.460 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.693 6.683 -3.073 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.622 5.279 -3.563 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.397 7.573 -4.331 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.362 6.329 -5.486 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.131 7.499 -5.461 1.00 10.05 H new ATOM 425 N LYS X 456 5.591 6.144 -0.826 1.00 23.55 N ATOM 426 CA LYS X 456 6.542 7.188 -0.461 1.00 51.54 C ATOM 427 C LYS X 456 7.312 6.805 0.799 1.00 23.14 C ATOM 428 O LYS X 456 8.493 7.125 0.937 1.00 54.11 O ATOM 429 CB LYS X 456 5.814 8.516 -0.243 1.00 65.35 C ATOM 430 CG LYS X 456 5.396 9.200 -1.533 1.00 12.34 C ATOM 431 CD LYS X 456 4.478 10.380 -1.267 1.00 41.13 C ATOM 432 CE LYS X 456 4.385 11.299 -2.476 1.00 35.30 C ATOM 433 NZ LYS X 456 3.771 12.611 -2.129 1.00 61.51 N ATOM 0 H LYS X 456 4.613 6.427 -0.772 1.00 23.55 H new ATOM 0 HA LYS X 456 7.252 7.301 -1.280 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.929 8.339 0.368 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.462 9.187 0.321 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.282 9.541 -2.069 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.890 8.482 -2.179 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.484 10.017 -1.007 1.00 41.13 H new ATOM 0 HD3 LYS X 456 4.846 10.942 -0.409 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.382 11.462 -2.886 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.795 10.816 -3.255 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 3.725 13.209 -2.979 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 2.810 12.458 -1.761 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 4.348 13.084 -1.404 1.00 61.51 H new ATOM 443 N ARG X 457 6.637 6.118 1.713 1.00 71.11 N ATOM 444 CA ARG X 457 7.259 5.691 2.961 1.00 35.12 C ATOM 445 C ARG X 457 8.331 4.637 2.702 1.00 55.14 C ATOM 446 O ARG X 457 9.455 4.747 3.194 1.00 20.31 O ATOM 447 CB ARG X 457 6.202 5.134 3.918 1.00 21.50 C ATOM 448 CG ARG X 457 5.653 6.168 4.887 1.00 50.23 C ATOM 449 CD ARG X 457 6.079 5.875 6.316 1.00 12.04 C ATOM 450 NE ARG X 457 5.140 6.423 7.291 1.00 20.01 N ATOM 451 CZ ARG X 457 5.131 6.084 8.576 1.00 74.42 C ATOM 452 NH1 ARG X 457 6.007 5.201 9.036 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.246 6.626 9.401 1.00 51.31 N ATOM 0 H ARG X 457 5.659 5.845 1.614 1.00 71.11 H new ATOM 0 HA ARG X 457 7.732 6.560 3.418 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.378 4.721 3.336 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.636 4.311 4.486 1.00 21.50 H new ATOM 0 HG2 ARG X 457 6.002 7.160 4.598 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.565 6.183 4.827 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.159 4.797 6.456 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.070 6.294 6.492 1.00 12.04 H new ATOM 0 HE ARG X 457 4.453 7.104 6.968 1.00 20.01 H new ATOM 0 HH11 ARG X 457 6.688 4.781 8.403 1.00 71.32 H new ATOM 0 HH12 ARG X 457 5.999 4.941 10.022 1.00 71.32 H new ATOM 0 HH21 ARG X 457 3.570 7.305 9.050 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.241 6.364 10.387 1.00 51.31 H new ATOM 464 N ILE X 458 7.976 3.618 1.928 1.00 20.05 N ATOM 465 CA ILE X 458 8.909 2.545 1.604 1.00 63.42 C ATOM 466 C ILE X 458 10.122 3.080 0.850 1.00 45.00 C ATOM 467 O ILE X 458 11.264 2.825 1.232 1.00 10.42 O ATOM 468 CB ILE X 458 8.234 1.450 0.756 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.055 0.840 1.516 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.243 0.375 0.380 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.473 -0.069 2.652 1.00 74.53 C ATOM 0 H ILE X 458 7.050 3.512 1.513 1.00 20.05 H new ATOM 0 HA ILE X 458 9.234 2.113 2.550 1.00 63.42 H new ATOM 0 HB ILE X 458 7.855 1.902 -0.161 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.435 1.643 1.914 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.437 0.275 0.818 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.752 -0.392 -0.219 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.053 0.822 -0.196 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.648 -0.076 1.286 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.586 -0.466 3.146 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.068 -0.893 2.258 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.066 0.496 3.371 1.00 74.53 H new ATOM 482 N ILE X 459 9.865 3.825 -0.220 1.00 30.41 N ATOM 483 CA ILE X 459 10.937 4.398 -1.024 1.00 14.13 C ATOM 484 C ILE X 459 11.794 5.353 -0.199 1.00 54.12 C ATOM 485 O ILE X 459 13.011 5.416 -0.372 1.00 73.32 O ATOM 486 CB ILE X 459 10.381 5.153 -2.246 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.516 5.532 -3.199 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.618 6.392 -1.802 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.154 5.384 -4.661 1.00 14.20 C ATOM 0 H ILE X 459 8.925 4.046 -0.550 1.00 30.41 H new ATOM 0 HA ILE X 459 11.552 3.566 -1.368 1.00 14.13 H new ATOM 0 HB ILE X 459 9.691 4.497 -2.776 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.810 6.564 -3.009 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.384 4.909 -2.983 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.232 6.914 -2.677 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.788 6.098 -1.159 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.287 7.053 -1.251 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.006 5.670 -5.278 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.889 4.347 -4.867 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.306 6.028 -4.893 1.00 14.20 H new ATOM 500 N GLU X 460 11.150 6.092 0.699 1.00 70.03 N ATOM 501 CA GLU X 460 11.854 7.042 1.552 1.00 55.24 C ATOM 502 C GLU X 460 12.838 6.323 2.471 1.00 12.02 C ATOM 503 O GLU X 460 14.012 6.685 2.545 1.00 12.20 O ATOM 504 CB GLU X 460 10.856 7.849 2.386 1.00 64.30 C ATOM 505 CG GLU X 460 11.512 8.705 3.457 1.00 23.33 C ATOM 506 CD GLU X 460 10.610 9.824 3.941 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.453 10.820 3.203 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.063 9.705 5.057 1.00 74.02 O ATOM 0 H GLU X 460 10.143 6.051 0.854 1.00 70.03 H new ATOM 0 HA GLU X 460 12.414 7.722 0.910 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.277 8.492 1.723 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.153 7.164 2.860 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.789 8.075 4.302 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.434 9.131 3.062 1.00 23.33 H new ATOM 513 N ALA X 461 12.349 5.304 3.169 1.00 23.10 N ATOM 514 CA ALA X 461 13.185 4.533 4.081 1.00 30.24 C ATOM 515 C ALA X 461 14.358 3.894 3.346 1.00 45.21 C ATOM 516 O ALA X 461 15.499 3.954 3.805 1.00 60.24 O ATOM 517 CB ALA X 461 12.356 3.466 4.782 1.00 43.23 C ATOM 0 H ALA X 461 11.379 4.993 3.121 1.00 23.10 H new ATOM 0 HA ALA X 461 13.588 5.216 4.829 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.993 2.898 5.460 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.555 3.941 5.349 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.925 2.794 4.040 1.00 43.23 H new ATOM 523 N LEU X 462 14.071 3.285 2.201 1.00 41.14 N ATOM 524 CA LEU X 462 15.103 2.634 1.400 1.00 32.12 C ATOM 525 C LEU X 462 16.203 3.622 1.024 1.00 23.05 C ATOM 526 O LEU X 462 17.381 3.383 1.290 1.00 51.52 O ATOM 527 CB LEU X 462 14.490 2.029 0.136 1.00 22.31 C ATOM 528 CG LEU X 462 13.862 0.644 0.291 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.878 0.374 -0.837 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.940 -0.429 0.329 1.00 72.43 C ATOM 0 H LEU X 462 13.132 3.228 1.806 1.00 41.14 H new ATOM 0 HA LEU X 462 15.545 1.837 1.998 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.727 2.712 -0.236 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.266 1.971 -0.628 1.00 22.31 H new ATOM 0 HG LEU X 462 13.317 0.617 1.235 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.441 -0.617 -0.710 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.088 1.124 -0.818 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.399 0.420 -1.793 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.475 -1.408 0.440 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.513 -0.402 -0.598 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.606 -0.246 1.172 1.00 72.43 H new ATOM 541 N GLU X 463 15.809 4.731 0.406 1.00 4.01 N ATOM 542 CA GLU X 463 16.763 5.754 -0.005 1.00 14.12 C ATOM 543 C GLU X 463 17.575 6.252 1.187 1.00 33.23 C ATOM 544 O GLU X 463 18.773 6.514 1.072 1.00 3.32 O ATOM 545 CB GLU X 463 16.034 6.926 -0.664 1.00 41.55 C ATOM 546 CG GLU X 463 15.235 6.532 -1.895 1.00 22.34 C ATOM 547 CD GLU X 463 15.914 6.942 -3.188 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.150 7.121 -3.177 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.210 7.085 -4.210 1.00 1.41 O ATOM 0 H GLU X 463 14.837 4.944 0.179 1.00 4.01 H new ATOM 0 HA GLU X 463 17.447 5.308 -0.727 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.362 7.381 0.064 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.764 7.686 -0.943 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.084 5.453 -1.895 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.248 6.992 -1.846 1.00 22.34 H new ATOM 554 N LYS X 464 16.914 6.380 2.333 1.00 23.51 N ATOM 555 CA LYS X 464 17.573 6.846 3.548 1.00 44.12 C ATOM 556 C LYS X 464 18.491 5.768 4.116 1.00 71.21 C ATOM 557 O LYS X 464 19.450 6.066 4.827 1.00 34.14 O ATOM 558 CB LYS X 464 16.531 7.248 4.595 1.00 41.33 C ATOM 559 CG LYS X 464 15.966 8.642 4.384 1.00 1.43 C ATOM 560 CD LYS X 464 14.735 8.879 5.244 1.00 74.45 C ATOM 561 CE LYS X 464 15.115 9.286 6.660 1.00 13.32 C ATOM 562 NZ LYS X 464 13.999 9.058 7.620 1.00 54.43 N ATOM 0 H LYS X 464 15.923 6.168 2.446 1.00 23.51 H new ATOM 0 HA LYS X 464 18.178 7.716 3.293 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.714 6.527 4.578 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.983 7.194 5.585 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.727 9.385 4.623 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.709 8.777 3.333 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.119 9.657 4.793 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.131 7.972 5.274 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.990 8.719 6.979 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.396 10.339 6.672 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.297 9.347 8.574 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 13.172 9.618 7.330 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.748 8.049 7.627 1.00 54.43 H new ATOM 572 N THR X 465 18.189 4.513 3.797 1.00 13.11 N ATOM 573 CA THR X 465 18.987 3.391 4.276 1.00 52.11 C ATOM 574 C THR X 465 20.065 3.013 3.267 1.00 75.51 C ATOM 575 O THR X 465 20.940 2.196 3.555 1.00 65.34 O ATOM 576 CB THR X 465 18.109 2.157 4.559 1.00 42.21 C ATOM 577 OG1 THR X 465 17.352 1.817 3.391 1.00 52.14 O ATOM 578 CG2 THR X 465 17.165 2.419 5.723 1.00 61.42 C ATOM 0 H THR X 465 17.398 4.248 3.210 1.00 13.11 H new ATOM 0 HA THR X 465 19.459 3.712 5.205 1.00 52.11 H new ATOM 0 HB THR X 465 18.763 1.326 4.823 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.654 2.363 2.635 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.556 1.533 5.904 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.745 2.649 6.617 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.517 3.262 5.484 1.00 61.42 H new ATOM 586 N GLY X 466 19.998 3.613 2.083 1.00 31.45 N ATOM 587 CA GLY X 466 20.975 3.326 1.049 1.00 73.12 C ATOM 588 C GLY X 466 20.522 2.224 0.112 1.00 2.02 C ATOM 589 O GLY X 466 21.315 1.369 -0.284 1.00 72.31 O ATOM 0 H GLY X 466 19.284 4.293 1.821 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.167 4.232 0.474 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.918 3.038 1.514 1.00 73.12 H new ATOM 593 N TYR X 467 19.241 2.243 -0.245 1.00 22.12 N ATOM 594 CA TYR X 467 18.682 1.236 -1.139 1.00 42.34 C ATOM 595 C TYR X 467 18.824 -0.161 -0.541 1.00 41.45 C ATOM 596 O TYR X 467 19.165 -1.116 -1.239 1.00 0.12 O ATOM 597 CB TYR X 467 19.374 1.292 -2.501 1.00 12.11 C ATOM 598 CG TYR X 467 19.246 2.632 -3.191 1.00 64.22 C ATOM 599 CD1 TYR X 467 17.998 3.183 -3.452 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.372 3.345 -3.580 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.875 4.407 -4.082 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.259 4.571 -4.209 1.00 24.43 C ATOM 603 CZ TYR X 467 19.009 5.096 -4.458 1.00 42.32 C ATOM 604 OH TYR X 467 18.893 6.316 -5.086 1.00 45.41 O ATOM 0 H TYR X 467 18.572 2.945 0.071 1.00 22.12 H new ATOM 0 HA TYR X 467 17.621 1.451 -1.269 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.431 1.059 -2.372 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.953 0.520 -3.145 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.109 2.646 -3.158 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.353 2.935 -3.388 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.897 4.821 -4.279 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.145 5.114 -4.504 1.00 24.43 H new ATOM 0 HH TYR X 467 18.270 6.883 -4.586 1.00 45.41 H new ATOM 613 N VAL X 468 18.557 -0.273 0.757 1.00 21.22 N ATOM 614 CA VAL X 468 18.652 -1.552 1.449 1.00 11.54 C ATOM 615 C VAL X 468 17.286 -2.010 1.948 1.00 22.10 C ATOM 616 O VAL X 468 16.592 -1.277 2.654 1.00 25.15 O ATOM 617 CB VAL X 468 19.622 -1.473 2.643 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.793 -2.843 3.282 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.963 -0.909 2.203 1.00 32.52 C ATOM 0 H VAL X 468 18.273 0.507 1.350 1.00 21.22 H new ATOM 0 HA VAL X 468 19.033 -2.275 0.727 1.00 11.54 H new ATOM 0 HB VAL X 468 19.199 -0.801 3.389 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.481 -2.768 4.124 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.827 -3.203 3.634 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.194 -3.540 2.546 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.636 -0.860 3.059 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.395 -1.554 1.438 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.821 0.092 1.796 1.00 32.52 H new ATOM 629 N LYS X 469 16.903 -3.227 1.576 1.00 2.33 N ATOM 630 CA LYS X 469 15.621 -3.786 1.985 1.00 73.34 C ATOM 631 C LYS X 469 15.611 -4.088 3.481 1.00 0.52 C ATOM 632 O LYS X 469 14.716 -3.655 4.206 1.00 43.22 O ATOM 633 CB LYS X 469 15.320 -5.061 1.195 1.00 64.33 C ATOM 634 CG LYS X 469 14.011 -5.725 1.586 1.00 65.33 C ATOM 635 CD LYS X 469 13.920 -7.141 1.043 1.00 74.35 C ATOM 636 CE LYS X 469 13.976 -7.160 -0.477 1.00 63.33 C ATOM 637 NZ LYS X 469 13.653 -8.505 -1.028 1.00 50.11 N ATOM 0 H LYS X 469 17.464 -3.846 0.991 1.00 2.33 H new ATOM 0 HA LYS X 469 14.848 -3.046 1.776 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.293 -4.822 0.132 1.00 64.33 H new ATOM 0 HB3 LYS X 469 16.135 -5.770 1.341 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.922 -5.745 2.672 1.00 65.33 H new ATOM 0 HG3 LYS X 469 13.176 -5.135 1.208 1.00 65.33 H new ATOM 0 HD2 LYS X 469 14.737 -7.739 1.446 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.991 -7.602 1.380 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.275 -6.427 -0.875 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.971 -6.862 -0.807 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.347 -8.756 -1.761 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.686 -9.210 -0.264 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.700 -8.490 -1.444 1.00 50.11 H new ATOM 647 N SER X 470 16.615 -4.832 3.936 1.00 71.13 N ATOM 648 CA SER X 470 16.720 -5.193 5.345 1.00 51.22 C ATOM 649 C SER X 470 16.610 -3.957 6.233 1.00 51.22 C ATOM 650 O SER X 470 15.789 -3.907 7.148 1.00 14.32 O ATOM 651 CB SER X 470 18.045 -5.911 5.611 1.00 52.44 C ATOM 652 OG SER X 470 18.192 -7.040 4.768 1.00 5.24 O ATOM 0 H SER X 470 17.366 -5.196 3.350 1.00 71.13 H new ATOM 0 HA SER X 470 15.896 -5.865 5.585 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.874 -5.222 5.449 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.089 -6.224 6.654 1.00 52.44 H new ATOM 0 HG SER X 470 19.047 -7.480 4.957 1.00 5.24 H new ATOM 657 N ARG X 471 17.446 -2.961 5.955 1.00 75.24 N ATOM 658 CA ARG X 471 17.445 -1.725 6.728 1.00 11.02 C ATOM 659 C ARG X 471 16.102 -1.010 6.608 1.00 64.24 C ATOM 660 O ARG X 471 15.508 -0.611 7.609 1.00 23.30 O ATOM 661 CB ARG X 471 18.571 -0.803 6.257 1.00 3.34 C ATOM 662 CG ARG X 471 19.960 -1.374 6.484 1.00 74.42 C ATOM 663 CD ARG X 471 21.000 -0.663 5.632 1.00 11.42 C ATOM 664 NE ARG X 471 21.687 0.393 6.373 1.00 42.13 N ATOM 665 CZ ARG X 471 22.774 1.013 5.930 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.296 0.686 4.756 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.341 1.964 6.662 1.00 13.40 N ATOM 0 H ARG X 471 18.132 -2.986 5.201 1.00 75.24 H new ATOM 0 HA ARG X 471 17.608 -1.980 7.775 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.441 -0.598 5.194 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.490 0.151 6.778 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.225 -1.281 7.537 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.960 -2.438 6.248 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.731 -1.388 5.272 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.517 -0.234 4.754 1.00 11.42 H new ATOM 0 HE ARG X 471 21.311 0.669 7.280 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.862 -0.044 4.190 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.131 1.164 4.418 1.00 54.24 H new ATOM 0 HH21 ARG X 471 22.942 2.219 7.565 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.176 2.440 6.321 1.00 13.40 H new ATOM 678 N ALA X 472 15.631 -0.851 5.375 1.00 63.50 N ATOM 679 CA ALA X 472 14.359 -0.185 5.123 1.00 51.02 C ATOM 680 C ALA X 472 13.223 -0.868 5.879 1.00 14.44 C ATOM 681 O ALA X 472 12.297 -0.209 6.352 1.00 62.31 O ATOM 682 CB ALA X 472 14.062 -0.159 3.632 1.00 12.21 C ATOM 0 H ALA X 472 16.111 -1.174 4.535 1.00 63.50 H new ATOM 0 HA ALA X 472 14.437 0.841 5.484 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.109 0.341 3.459 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.854 0.380 3.113 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.009 -1.180 3.254 1.00 12.21 H new ATOM 688 N ALA X 473 13.301 -2.190 5.987 1.00 33.12 N ATOM 689 CA ALA X 473 12.281 -2.960 6.686 1.00 5.31 C ATOM 690 C ALA X 473 12.308 -2.675 8.184 1.00 1.25 C ATOM 691 O ALA X 473 11.284 -2.337 8.780 1.00 50.13 O ATOM 692 CB ALA X 473 12.473 -4.447 6.427 1.00 61.31 C ATOM 0 H ALA X 473 14.060 -2.750 5.599 1.00 33.12 H new ATOM 0 HA ALA X 473 11.306 -2.658 6.303 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.704 -5.011 6.955 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.396 -4.643 5.358 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.457 -4.754 6.782 1.00 61.31 H new ATOM 698 N LYS X 474 13.483 -2.814 8.787 1.00 62.03 N ATOM 699 CA LYS X 474 13.643 -2.570 10.217 1.00 24.40 C ATOM 700 C LYS X 474 13.372 -1.107 10.553 1.00 54.40 C ATOM 701 O LYS X 474 12.867 -0.790 11.630 1.00 74.45 O ATOM 702 CB LYS X 474 15.055 -2.955 10.664 1.00 34.32 C ATOM 703 CG LYS X 474 16.153 -2.236 9.899 1.00 3.21 C ATOM 704 CD LYS X 474 17.532 -2.708 10.330 1.00 54.32 C ATOM 705 CE LYS X 474 17.839 -4.098 9.794 1.00 20.00 C ATOM 706 NZ LYS X 474 18.739 -4.857 10.705 1.00 3.13 N ATOM 0 H LYS X 474 14.339 -3.094 8.309 1.00 62.03 H new ATOM 0 HA LYS X 474 12.919 -3.186 10.750 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.162 -2.738 11.727 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.184 -4.031 10.544 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.026 -2.408 8.830 1.00 3.21 H new ATOM 0 HG3 LYS X 474 16.068 -1.162 10.061 1.00 3.21 H new ATOM 0 HD2 LYS X 474 18.286 -2.005 9.974 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.591 -2.715 11.418 1.00 54.32 H new ATOM 0 HE2 LYS X 474 16.908 -4.649 9.660 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.304 -4.014 8.812 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.924 -5.799 10.305 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.637 -4.344 10.813 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 18.285 -4.960 11.635 1.00 3.13 H new ATOM 716 N LEU X 475 13.711 -0.219 9.625 1.00 10.44 N ATOM 717 CA LEU X 475 13.503 1.211 9.822 1.00 74.31 C ATOM 718 C LEU X 475 12.016 1.548 9.837 1.00 24.12 C ATOM 719 O LEU X 475 11.531 2.226 10.745 1.00 74.13 O ATOM 720 CB LEU X 475 14.206 2.005 8.721 1.00 52.05 C ATOM 721 CG LEU X 475 14.633 3.427 9.086 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.533 4.009 8.007 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.414 4.312 9.300 1.00 53.02 C ATOM 0 H LEU X 475 14.131 -0.464 8.729 1.00 10.44 H new ATOM 0 HA LEU X 475 13.929 1.485 10.787 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.091 1.450 8.410 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.542 2.057 7.858 1.00 52.05 H new ATOM 0 HG LEU X 475 15.197 3.387 10.018 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.826 5.021 8.285 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.423 3.389 7.902 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.995 4.034 7.059 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.737 5.320 9.559 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.823 4.344 8.385 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.807 3.906 10.110 1.00 53.02 H new ATOM 734 N LEU X 476 11.296 1.069 8.829 1.00 14.12 N ATOM 735 CA LEU X 476 9.861 1.317 8.727 1.00 2.33 C ATOM 736 C LEU X 476 9.098 0.551 9.803 1.00 41.31 C ATOM 737 O LEU X 476 8.161 1.074 10.405 1.00 65.41 O ATOM 738 CB LEU X 476 9.351 0.917 7.342 1.00 21.22 C ATOM 739 CG LEU X 476 9.776 1.820 6.184 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.896 1.017 4.897 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.790 2.966 6.011 1.00 71.10 C ATOM 0 H LEU X 476 11.682 0.507 8.070 1.00 14.12 H new ATOM 0 HA LEU X 476 9.691 2.383 8.876 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.692 -0.096 7.130 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.262 0.887 7.372 1.00 21.22 H new ATOM 0 HG LEU X 476 10.754 2.242 6.417 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.199 1.676 4.084 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.642 0.233 5.026 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.933 0.566 4.658 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.109 3.598 5.182 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.799 2.564 5.801 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.755 3.557 6.926 1.00 71.10 H new ATOM 752 N GLY X 477 9.509 -0.691 10.042 1.00 45.23 N ATOM 753 CA GLY X 477 8.854 -1.508 11.048 1.00 22.13 C ATOM 754 C GLY X 477 8.227 -2.757 10.462 1.00 61.31 C ATOM 755 O GLY X 477 7.367 -3.379 11.085 1.00 35.21 O ATOM 0 H GLY X 477 10.283 -1.146 9.558 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.580 -1.793 11.810 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.084 -0.918 11.546 1.00 22.13 H new ATOM 759 N TYR X 478 8.656 -3.123 9.259 1.00 41.35 N ATOM 760 CA TYR X 478 8.128 -4.304 8.586 1.00 51.13 C ATOM 761 C TYR X 478 9.226 -5.339 8.357 1.00 65.31 C ATOM 762 O TYR X 478 10.415 -5.017 8.384 1.00 40.51 O ATOM 763 CB TYR X 478 7.493 -3.914 7.250 1.00 71.43 C ATOM 764 CG TYR X 478 6.600 -2.698 7.337 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.712 -2.537 8.394 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.640 -1.710 6.360 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.893 -1.428 8.477 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.826 -0.596 6.436 1.00 51.13 C ATOM 769 CZ TYR X 478 4.954 -0.460 7.496 1.00 63.32 C ATOM 770 OH TYR X 478 4.140 0.646 7.574 1.00 43.33 O ATOM 0 H TYR X 478 9.368 -2.619 8.730 1.00 41.35 H new ATOM 0 HA TYR X 478 7.366 -4.746 9.228 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.283 -3.723 6.524 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.911 -4.756 6.874 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.662 -3.293 9.164 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.319 -1.815 5.527 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.209 -1.319 9.305 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.872 0.164 5.670 1.00 51.13 H new ATOM 0 HH TYR X 478 4.308 1.231 6.806 1.00 43.33 H new ATOM 779 N THR X 479 8.819 -6.585 8.133 1.00 31.11 N ATOM 780 CA THR X 479 9.766 -7.667 7.901 1.00 32.34 C ATOM 781 C THR X 479 10.118 -7.782 6.422 1.00 71.23 C ATOM 782 O THR X 479 9.442 -7.208 5.566 1.00 3.54 O ATOM 783 CB THR X 479 9.207 -9.017 8.389 1.00 31.32 C ATOM 784 OG1 THR X 479 10.160 -10.058 8.148 1.00 41.35 O ATOM 785 CG2 THR X 479 7.899 -9.347 7.687 1.00 33.32 C ATOM 0 H THR X 479 7.840 -6.869 8.108 1.00 31.11 H new ATOM 0 HA THR X 479 10.665 -7.427 8.469 1.00 32.34 H new ATOM 0 HB THR X 479 9.017 -8.940 9.460 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.798 -10.912 8.463 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.524 -10.305 8.048 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.167 -8.568 7.897 1.00 33.32 H new ATOM 0 HG23 THR X 479 8.068 -9.406 6.612 1.00 33.32 H new ATOM 793 N LEU X 480 11.178 -8.525 6.127 1.00 51.22 N ATOM 794 CA LEU X 480 11.619 -8.717 4.749 1.00 73.24 C ATOM 795 C LEU X 480 10.461 -9.158 3.862 1.00 73.11 C ATOM 796 O LEU X 480 10.370 -8.762 2.699 1.00 12.40 O ATOM 797 CB LEU X 480 12.744 -9.752 4.692 1.00 54.35 C ATOM 798 CG LEU X 480 13.326 -10.034 3.306 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.821 -10.297 3.400 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.615 -11.215 2.660 1.00 24.30 C ATOM 0 H LEU X 480 11.749 -9.005 6.823 1.00 51.22 H new ATOM 0 HA LEU X 480 11.993 -7.763 4.378 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.552 -9.417 5.342 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.370 -10.689 5.105 1.00 54.35 H new ATOM 0 HG LEU X 480 13.170 -9.155 2.681 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.219 -10.496 2.405 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.318 -9.424 3.822 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.999 -11.160 4.041 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.042 -11.402 1.675 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.740 -12.100 3.283 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.553 -10.990 2.559 1.00 24.30 H new ATOM 811 N ARG X 481 9.576 -9.978 4.419 1.00 60.01 N ATOM 812 CA ARG X 481 8.422 -10.474 3.678 1.00 5.23 C ATOM 813 C ARG X 481 7.458 -9.336 3.349 1.00 63.40 C ATOM 814 O ARG X 481 7.059 -9.162 2.198 1.00 34.21 O ATOM 815 CB ARG X 481 7.696 -11.554 4.483 1.00 22.32 C ATOM 816 CG ARG X 481 6.727 -12.382 3.656 1.00 15.42 C ATOM 817 CD ARG X 481 6.573 -13.786 4.220 1.00 33.20 C ATOM 818 NE ARG X 481 5.727 -13.808 5.410 1.00 11.02 N ATOM 819 CZ ARG X 481 5.252 -14.923 5.954 1.00 23.35 C ATOM 820 NH1 ARG X 481 5.538 -16.101 5.416 1.00 64.23 N ATOM 821 NH2 ARG X 481 4.489 -14.861 7.037 1.00 54.34 N ATOM 0 H ARG X 481 9.636 -10.313 5.381 1.00 60.01 H new ATOM 0 HA ARG X 481 8.781 -10.907 2.744 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.434 -12.217 4.934 1.00 22.32 H new ATOM 0 HB3 ARG X 481 7.151 -11.081 5.300 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.755 -11.890 3.632 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.081 -12.439 2.627 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.144 -14.438 3.458 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.556 -14.187 4.467 1.00 33.20 H new ATOM 0 HE ARG X 481 5.488 -12.918 5.848 1.00 11.02 H new ATOM 0 HH11 ARG X 481 6.124 -16.152 4.583 1.00 64.23 H new ATOM 0 HH12 ARG X 481 5.172 -16.956 5.836 1.00 64.23 H new ATOM 0 HH21 ARG X 481 4.266 -13.957 7.453 1.00 54.34 H new ATOM 0 HH22 ARG X 481 4.125 -15.718 7.454 1.00 54.34 H new ATOM 832 N GLN X 482 7.089 -8.567 4.369 1.00 43.45 N ATOM 833 CA GLN X 482 6.173 -7.447 4.188 1.00 74.43 C ATOM 834 C GLN X 482 6.760 -6.411 3.236 1.00 15.22 C ATOM 835 O GLN X 482 6.137 -6.047 2.238 1.00 24.12 O ATOM 836 CB GLN X 482 5.855 -6.798 5.535 1.00 61.30 C ATOM 837 CG GLN X 482 4.984 -7.659 6.436 1.00 11.44 C ATOM 838 CD GLN X 482 3.758 -8.194 5.722 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.708 -7.552 5.700 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.885 -9.378 5.134 1.00 62.51 N ATOM 0 H GLN X 482 7.410 -8.699 5.328 1.00 43.45 H new ATOM 0 HA GLN X 482 5.251 -7.832 3.752 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.789 -6.576 6.051 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.353 -5.846 5.361 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.573 -8.494 6.814 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.670 -7.073 7.300 1.00 11.44 H new ATOM 0 HE21 GLN X 482 4.774 -9.876 5.177 1.00 62.51 H new ATOM 0 HE22 GLN X 482 3.093 -9.789 4.639 1.00 62.51 H new ATOM 847 N LEU X 483 7.961 -5.939 3.550 1.00 30.43 N ATOM 848 CA LEU X 483 8.633 -4.944 2.723 1.00 23.25 C ATOM 849 C LEU X 483 8.723 -5.411 1.274 1.00 43.34 C ATOM 850 O LEU X 483 8.342 -4.688 0.353 1.00 12.42 O ATOM 851 CB LEU X 483 10.034 -4.661 3.267 1.00 32.11 C ATOM 852 CG LEU X 483 10.668 -3.338 2.836 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.184 -2.200 3.720 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.186 -3.437 2.873 1.00 65.25 C ATOM 0 H LEU X 483 8.490 -6.230 4.372 1.00 30.43 H new ATOM 0 HA LEU X 483 8.046 -4.026 2.754 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.990 -4.682 4.356 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.692 -5.473 2.959 1.00 32.11 H new ATOM 0 HG LEU X 483 10.363 -3.128 1.811 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.646 -1.267 3.398 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.100 -2.114 3.642 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.458 -2.402 4.756 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.620 -2.486 2.563 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.511 -3.671 3.887 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.516 -4.225 2.195 1.00 65.25 H new ATOM 865 N ASP X 484 9.227 -6.624 1.079 1.00 4.40 N ATOM 866 CA ASP X 484 9.365 -7.190 -0.258 1.00 74.33 C ATOM 867 C ASP X 484 8.039 -7.131 -1.011 1.00 23.13 C ATOM 868 O ASP X 484 7.979 -6.656 -2.146 1.00 2.41 O ATOM 869 CB ASP X 484 9.854 -8.637 -0.175 1.00 53.22 C ATOM 870 CG ASP X 484 10.112 -9.240 -1.541 1.00 43.05 C ATOM 871 OD1 ASP X 484 10.856 -8.622 -2.332 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.571 -10.330 -1.821 1.00 12.45 O ATOM 0 H ASP X 484 9.547 -7.235 1.830 1.00 4.40 H new ATOM 0 HA ASP X 484 10.100 -6.597 -0.803 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.770 -8.675 0.414 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.112 -9.239 0.350 1.00 53.22 H new ATOM 876 N TYR X 485 6.980 -7.616 -0.373 1.00 62.24 N ATOM 877 CA TYR X 485 5.657 -7.622 -0.985 1.00 54.52 C ATOM 878 C TYR X 485 5.254 -6.218 -1.426 1.00 35.33 C ATOM 879 O TYR X 485 4.636 -6.037 -2.475 1.00 43.32 O ATOM 880 CB TYR X 485 4.621 -8.177 -0.005 1.00 42.42 C ATOM 881 CG TYR X 485 3.556 -9.023 -0.664 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.789 -10.358 -0.968 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.315 -8.486 -0.984 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.819 -11.134 -1.571 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.337 -9.256 -1.586 1.00 35.54 C ATOM 886 CZ TYR X 485 1.595 -10.578 -1.878 1.00 72.11 C ATOM 887 OH TYR X 485 0.624 -11.348 -2.478 1.00 32.54 O ATOM 0 H TYR X 485 7.012 -8.010 0.567 1.00 62.24 H new ATOM 0 HA TYR X 485 5.695 -8.263 -1.866 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.131 -8.774 0.751 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.143 -7.346 0.515 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.746 -10.797 -0.728 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.111 -7.450 -0.759 1.00 34.51 H new ATOM 0 HE1 TYR X 485 3.018 -12.170 -1.801 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.377 -8.824 -1.826 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.179 -10.806 -2.626 1.00 32.54 H new ATOM 896 N ARG X 486 5.610 -5.226 -0.616 1.00 30.20 N ATOM 897 CA ARG X 486 5.285 -3.837 -0.921 1.00 23.23 C ATOM 898 C ARG X 486 6.085 -3.343 -2.123 1.00 23.24 C ATOM 899 O ARG X 486 5.549 -2.668 -3.002 1.00 73.10 O ATOM 900 CB ARG X 486 5.567 -2.948 0.292 1.00 32.34 C ATOM 901 CG ARG X 486 4.318 -2.551 1.060 1.00 43.42 C ATOM 902 CD ARG X 486 3.790 -3.703 1.900 1.00 11.40 C ATOM 903 NE ARG X 486 2.821 -4.515 1.169 1.00 15.11 N ATOM 904 CZ ARG X 486 1.940 -5.316 1.758 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.907 -5.412 3.081 1.00 34.32 N ATOM 906 NH2 ARG X 486 1.090 -6.024 1.026 1.00 1.14 N ATOM 0 H ARG X 486 6.123 -5.358 0.256 1.00 30.20 H new ATOM 0 HA ARG X 486 4.224 -3.783 -1.165 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.246 -3.471 0.965 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.080 -2.046 -0.041 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.541 -1.701 1.705 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.548 -2.226 0.361 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.622 -4.331 2.218 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.325 -3.309 2.803 1.00 11.40 H new ATOM 0 HE ARG X 486 2.821 -4.464 0.150 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.559 -4.870 3.648 1.00 34.32 H new ATOM 0 HH12 ARG X 486 1.230 -6.028 3.531 1.00 34.32 H new ATOM 0 HH21 ARG X 486 1.112 -5.954 0.009 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.414 -6.638 1.481 1.00 1.14 H new ATOM 917 N ILE X 487 7.368 -3.686 -2.155 1.00 12.05 N ATOM 918 CA ILE X 487 8.240 -3.279 -3.250 1.00 10.12 C ATOM 919 C ILE X 487 7.710 -3.778 -4.589 1.00 62.30 C ATOM 920 O ILE X 487 7.689 -3.040 -5.575 1.00 15.43 O ATOM 921 CB ILE X 487 9.675 -3.802 -3.052 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.297 -3.184 -1.797 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.524 -3.496 -4.276 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.322 -1.672 -1.817 1.00 35.13 C ATOM 0 H ILE X 487 7.827 -4.245 -1.435 1.00 12.05 H new ATOM 0 HA ILE X 487 8.256 -2.189 -3.251 1.00 10.12 H new ATOM 0 HB ILE X 487 9.637 -4.884 -2.922 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.739 -3.519 -0.922 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.316 -3.555 -1.686 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.535 -3.872 -4.121 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.088 -3.978 -5.151 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.558 -2.418 -4.435 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.776 -1.303 -0.897 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.905 -1.329 -2.672 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.303 -1.292 -1.896 1.00 35.13 H new ATOM 935 N LYS X 488 7.281 -5.035 -4.619 1.00 1.41 N ATOM 936 CA LYS X 488 6.748 -5.634 -5.836 1.00 43.53 C ATOM 937 C LYS X 488 5.354 -5.093 -6.142 1.00 53.44 C ATOM 938 O LYS X 488 4.950 -5.008 -7.303 1.00 72.22 O ATOM 939 CB LYS X 488 6.697 -7.157 -5.700 1.00 2.51 C ATOM 940 CG LYS X 488 5.877 -7.635 -4.514 1.00 3.34 C ATOM 941 CD LYS X 488 5.941 -9.146 -4.366 1.00 3.43 C ATOM 942 CE LYS X 488 5.387 -9.851 -5.594 1.00 41.43 C ATOM 943 NZ LYS X 488 3.948 -9.534 -5.813 1.00 22.33 N ATOM 0 H LYS X 488 7.292 -5.659 -3.813 1.00 1.41 H new ATOM 0 HA LYS X 488 7.410 -5.372 -6.661 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.280 -7.581 -6.614 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.713 -7.539 -5.606 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.244 -7.163 -3.603 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.840 -7.324 -4.638 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.974 -9.453 -4.204 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.376 -9.450 -3.485 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.962 -9.556 -6.472 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.508 -10.928 -5.480 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.418 -10.415 -5.967 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.570 -9.044 -4.978 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.851 -8.921 -6.648 1.00 22.33 H new ATOM 953 N LYS X 489 4.622 -4.729 -5.095 1.00 24.34 N ATOM 954 CA LYS X 489 3.274 -4.195 -5.251 1.00 21.32 C ATOM 955 C LYS X 489 3.313 -2.778 -5.815 1.00 63.33 C ATOM 956 O LYS X 489 2.551 -2.439 -6.721 1.00 53.33 O ATOM 957 CB LYS X 489 2.543 -4.201 -3.907 1.00 54.52 C ATOM 958 CG LYS X 489 1.461 -5.263 -3.807 1.00 54.51 C ATOM 959 CD LYS X 489 2.017 -6.652 -4.071 1.00 14.12 C ATOM 960 CE LYS X 489 1.532 -7.204 -5.402 1.00 62.31 C ATOM 961 NZ LYS X 489 0.530 -8.290 -5.220 1.00 3.10 N ATOM 0 H LYS X 489 4.940 -4.794 -4.128 1.00 24.34 H new ATOM 0 HA LYS X 489 2.736 -4.832 -5.953 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.269 -4.358 -3.109 1.00 54.52 H new ATOM 0 HB3 LYS X 489 2.095 -3.221 -3.742 1.00 54.52 H new ATOM 0 HG2 LYS X 489 1.011 -5.233 -2.815 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.669 -5.045 -4.523 1.00 54.51 H new ATOM 0 HD2 LYS X 489 3.106 -6.616 -4.067 1.00 14.12 H new ATOM 0 HD3 LYS X 489 1.717 -7.324 -3.267 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.092 -6.399 -5.990 1.00 62.31 H new ATOM 0 HE3 LYS X 489 2.382 -7.585 -5.968 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 0.224 -8.640 -6.150 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 0.957 -9.070 -4.680 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 -0.292 -7.920 -4.702 1.00 3.10 H new ATOM 971 N TYR X 490 4.205 -1.955 -5.274 1.00 63.10 N ATOM 972 CA TYR X 490 4.342 -0.575 -5.723 1.00 65.13 C ATOM 973 C TYR X 490 5.403 -0.460 -6.814 1.00 43.30 C ATOM 974 O TYR X 490 5.659 0.626 -7.333 1.00 45.35 O ATOM 975 CB TYR X 490 4.703 0.333 -4.546 1.00 31.24 C ATOM 976 CG TYR X 490 3.599 0.462 -3.521 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.476 1.239 -3.776 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.680 -0.191 -2.298 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.465 1.361 -2.841 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.674 -0.076 -1.358 1.00 30.22 C ATOM 981 CZ TYR X 490 1.569 0.702 -1.635 1.00 51.31 C ATOM 982 OH TYR X 490 0.564 0.820 -0.703 1.00 54.23 O ATOM 0 H TYR X 490 4.844 -2.220 -4.524 1.00 63.10 H new ATOM 0 HA TYR X 490 3.385 -0.257 -6.137 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.597 -0.056 -4.058 1.00 31.24 H new ATOM 0 HB3 TYR X 490 4.953 1.324 -4.925 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.391 1.756 -4.720 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.545 -0.799 -2.078 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.599 1.969 -3.054 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.752 -0.592 -0.412 1.00 30.22 H new ATOM 0 HH TYR X 490 0.365 -0.061 -0.323 1.00 54.23 H new ATOM 991 N GLY X 491 6.016 -1.588 -7.155 1.00 12.33 N ATOM 992 CA GLY X 491 7.042 -1.593 -8.182 1.00 73.13 C ATOM 993 C GLY X 491 8.115 -0.550 -7.935 1.00 70.25 C ATOM 994 O GLY X 491 8.524 0.157 -8.856 1.00 25.21 O ATOM 0 H GLY X 491 5.821 -2.499 -6.739 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.502 -2.580 -8.226 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.581 -1.412 -9.153 1.00 73.13 H new ATOM 998 N ILE X 492 8.569 -0.454 -6.690 1.00 33.34 N ATOM 999 CA ILE X 492 9.598 0.511 -6.326 1.00 12.35 C ATOM 1000 C ILE X 492 10.964 0.082 -6.853 1.00 73.33 C ATOM 1001 O ILE X 492 11.223 -1.107 -7.039 1.00 45.43 O ATOM 1002 CB ILE X 492 9.685 0.693 -4.799 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.285 0.862 -4.205 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.559 1.891 -4.458 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.276 0.938 -2.694 1.00 21.21 C ATOM 0 H ILE X 492 8.240 -1.033 -5.917 1.00 33.34 H new ATOM 0 HA ILE X 492 9.316 1.460 -6.782 1.00 12.35 H new ATOM 0 HB ILE X 492 10.139 -0.198 -4.366 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.834 1.768 -4.609 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.661 0.027 -4.523 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.611 2.007 -3.375 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.562 1.734 -4.855 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.131 2.791 -4.899 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.251 1.058 -2.342 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.697 0.021 -2.281 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.873 1.790 -2.369 1.00 21.21 H new ATOM 1016 N GLU X 493 11.833 1.059 -7.092 1.00 41.10 N ATOM 1017 CA GLU X 493 13.173 0.782 -7.597 1.00 52.04 C ATOM 1018 C GLU X 493 14.207 0.874 -6.477 1.00 43.33 C ATOM 1019 O GLU X 493 13.934 1.423 -5.409 1.00 63.45 O ATOM 1020 CB GLU X 493 13.532 1.759 -8.718 1.00 63.11 C ATOM 1021 CG GLU X 493 12.570 1.715 -9.893 1.00 11.52 C ATOM 1022 CD GLU X 493 13.149 0.993 -11.095 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.430 -0.219 -10.979 1.00 62.13 O ATOM 1024 OE2 GLU X 493 13.320 1.638 -12.150 1.00 70.23 O ATOM 0 H GLU X 493 11.634 2.048 -6.944 1.00 41.10 H new ATOM 0 HA GLU X 493 13.181 -0.233 -7.993 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.553 2.771 -8.314 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.538 1.537 -9.074 1.00 63.11 H new ATOM 0 HG2 GLU X 493 11.649 1.220 -9.585 1.00 11.52 H new ATOM 0 HG3 GLU X 493 12.304 2.733 -10.179 1.00 11.52 H new