USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 301 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 455 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00496) 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 13:sc= 0.427 USER MOD Single : X 467 TYR OH : rot 180:sc= 0 USER MOD Single : X 469 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : X 470 SER OG : rot 180:sc=0.000908 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= -0.328 USER MOD Single : X 482 GLN : amide:sc= -0.275 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+ -137:sc= -0.158 (180deg=-1.04) USER MOD Single : X 489 LYS NZ :NH3+ -152:sc= -0.102 (180deg=-0.449) USER MOD Single : X 490 TYR OH : rot 90:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 1.810 5.238 1.036 1.00 61.44 N ATOM 395 CA GLU X 454 2.467 3.980 1.367 1.00 4.33 C ATOM 396 C GLU X 454 3.732 3.791 0.537 1.00 54.22 C ATOM 397 O GLU X 454 4.801 3.490 1.070 1.00 33.03 O ATOM 398 CB GLU X 454 1.513 2.805 1.138 1.00 4.25 C ATOM 399 CG GLU X 454 1.923 1.537 1.869 1.00 54.45 C ATOM 400 CD GLU X 454 0.904 1.106 2.906 1.00 73.14 C ATOM 401 OE1 GLU X 454 -0.308 1.200 2.623 1.00 32.21 O ATOM 402 OE2 GLU X 454 1.320 0.675 4.002 1.00 25.31 O ATOM 0 HA GLU X 454 2.746 4.012 2.420 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.512 3.092 1.460 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.457 2.596 0.070 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.062 0.734 1.145 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.885 1.697 2.355 1.00 54.45 H new ATOM 407 N LYS X 455 3.605 3.969 -0.774 1.00 25.33 N ATOM 408 CA LYS X 455 4.736 3.820 -1.681 1.00 0.54 C ATOM 409 C LYS X 455 5.837 4.823 -1.348 1.00 62.42 C ATOM 410 O LYS X 455 7.017 4.477 -1.313 1.00 21.12 O ATOM 411 CB LYS X 455 4.283 4.007 -3.130 1.00 34.23 C ATOM 412 CG LYS X 455 5.423 3.974 -4.134 1.00 13.52 C ATOM 413 CD LYS X 455 5.623 5.328 -4.795 1.00 51.32 C ATOM 414 CE LYS X 455 6.732 6.120 -4.120 1.00 3.43 C ATOM 415 NZ LYS X 455 7.480 6.966 -5.089 1.00 10.05 N ATOM 0 H LYS X 455 2.728 4.217 -1.232 1.00 25.33 H new ATOM 0 HA LYS X 455 5.136 2.814 -1.559 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.566 3.225 -3.381 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.760 4.959 -3.218 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.343 3.674 -3.632 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.216 3.223 -4.896 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.864 5.187 -5.849 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.693 5.895 -4.754 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.304 6.752 -3.341 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.422 5.433 -3.630 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.205 7.515 -4.584 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.938 6.359 -5.799 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 6.821 7.616 -5.563 1.00 10.05 H new ATOM 425 N LYS X 456 5.441 6.068 -1.103 1.00 23.55 N ATOM 426 CA LYS X 456 6.393 7.121 -0.770 1.00 51.54 C ATOM 427 C LYS X 456 7.139 6.793 0.518 1.00 23.14 C ATOM 428 O LYS X 456 8.331 7.077 0.646 1.00 54.11 O ATOM 429 CB LYS X 456 5.670 8.463 -0.625 1.00 65.35 C ATOM 430 CG LYS X 456 5.444 9.178 -1.946 1.00 12.34 C ATOM 431 CD LYS X 456 5.076 10.637 -1.734 1.00 41.13 C ATOM 432 CE LYS X 456 5.490 11.494 -2.920 1.00 35.30 C ATOM 433 NZ LYS X 456 4.483 11.448 -4.015 1.00 61.51 N ATOM 0 H LYS X 456 4.468 6.372 -1.129 1.00 23.55 H new ATOM 0 HA LYS X 456 7.118 7.191 -1.581 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.707 8.297 -0.142 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.250 9.109 0.034 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.346 9.114 -2.554 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.650 8.678 -2.500 1.00 12.34 H new ATOM 0 HD2 LYS X 456 4.001 10.723 -1.579 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.559 11.008 -0.830 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.625 12.525 -2.594 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.453 11.151 -3.298 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 4.802 12.045 -4.805 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.373 10.468 -4.344 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.570 11.799 -3.662 1.00 61.51 H new ATOM 443 N ARG X 457 6.433 6.192 1.471 1.00 71.11 N ATOM 444 CA ARG X 457 7.030 5.825 2.748 1.00 35.12 C ATOM 445 C ARG X 457 8.078 4.732 2.565 1.00 55.14 C ATOM 446 O ARG X 457 9.203 4.849 3.052 1.00 20.31 O ATOM 447 CB ARG X 457 5.950 5.350 3.723 1.00 21.50 C ATOM 448 CG ARG X 457 5.326 6.474 4.534 1.00 50.23 C ATOM 449 CD ARG X 457 6.349 7.141 5.440 1.00 12.04 C ATOM 450 NE ARG X 457 5.717 7.868 6.537 1.00 20.01 N ATOM 451 CZ ARG X 457 6.341 8.788 7.265 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.608 9.091 7.013 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.699 9.408 8.247 1.00 51.31 N ATOM 0 H ARG X 457 5.446 5.949 1.382 1.00 71.11 H new ATOM 0 HA ARG X 457 7.519 6.709 3.158 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.167 4.839 3.164 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.384 4.619 4.405 1.00 21.50 H new ATOM 0 HG2 ARG X 457 4.897 7.215 3.860 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.508 6.079 5.136 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.021 6.385 5.846 1.00 12.04 H new ATOM 0 HD3 ARG X 457 6.959 7.828 4.854 1.00 12.04 H new ATOM 0 HE ARG X 457 4.743 7.658 6.757 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.105 8.617 6.259 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.085 9.798 7.573 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.725 9.179 8.444 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.180 10.114 8.805 1.00 51.31 H new ATOM 464 N ILE X 458 7.702 3.670 1.859 1.00 20.05 N ATOM 465 CA ILE X 458 8.610 2.558 1.611 1.00 63.42 C ATOM 466 C ILE X 458 9.872 3.028 0.894 1.00 45.00 C ATOM 467 O ILE X 458 10.987 2.798 1.364 1.00 10.42 O ATOM 468 CB ILE X 458 7.936 1.457 0.770 1.00 44.32 C ATOM 469 CG1 ILE X 458 6.698 0.922 1.492 1.00 22.12 C ATOM 470 CG2 ILE X 458 8.919 0.331 0.485 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.022 0.080 2.706 1.00 74.53 C ATOM 0 H ILE X 458 6.775 3.557 1.449 1.00 20.05 H new ATOM 0 HA ILE X 458 8.879 2.147 2.584 1.00 63.42 H new ATOM 0 HB ILE X 458 7.622 1.887 -0.181 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.075 1.762 1.799 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.109 0.327 0.794 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.428 -0.439 -0.110 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.774 0.725 -0.065 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.261 -0.100 1.426 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.097 -0.265 3.167 1.00 74.53 H new ATOM 0 HD12 ILE X 458 7.619 -0.780 2.403 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.584 0.677 3.424 1.00 74.53 H new ATOM 482 N ILE X 459 9.688 3.687 -0.245 1.00 30.41 N ATOM 483 CA ILE X 459 10.812 4.191 -1.025 1.00 14.13 C ATOM 484 C ILE X 459 11.647 5.175 -0.213 1.00 54.12 C ATOM 485 O ILE X 459 12.873 5.198 -0.319 1.00 73.32 O ATOM 486 CB ILE X 459 10.336 4.883 -2.316 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.528 5.207 -3.217 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.558 6.148 -1.982 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.211 5.118 -4.694 1.00 14.20 C ATOM 0 H ILE X 459 8.772 3.884 -0.648 1.00 30.41 H new ATOM 0 HA ILE X 459 11.425 3.329 -1.289 1.00 14.13 H new ATOM 0 HB ILE X 459 9.674 4.203 -2.853 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.882 6.212 -2.990 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.344 4.522 -2.987 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.228 6.626 -2.904 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.690 5.892 -1.375 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.199 6.833 -1.427 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.102 5.360 -5.273 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.885 4.106 -4.936 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.417 5.823 -4.939 1.00 14.20 H new ATOM 500 N GLU X 460 10.975 5.984 0.600 1.00 70.03 N ATOM 501 CA GLU X 460 11.655 6.969 1.432 1.00 55.24 C ATOM 502 C GLU X 460 12.601 6.288 2.417 1.00 12.02 C ATOM 503 O GLU X 460 13.775 6.644 2.516 1.00 12.20 O ATOM 504 CB GLU X 460 10.637 7.821 2.190 1.00 64.30 C ATOM 505 CG GLU X 460 11.259 8.710 3.255 1.00 23.33 C ATOM 506 CD GLU X 460 10.304 9.778 3.753 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.077 9.551 3.697 1.00 74.02 O ATOM 508 OE2 GLU X 460 10.785 10.841 4.199 1.00 44.32 O ATOM 0 H GLU X 460 9.960 5.976 0.700 1.00 70.03 H new ATOM 0 HA GLU X 460 12.242 7.615 0.779 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.096 8.445 1.478 1.00 64.30 H new ATOM 0 HB3 GLU X 460 9.904 7.165 2.659 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.580 8.094 4.095 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.152 9.186 2.850 1.00 23.33 H new ATOM 513 N ALA X 461 12.080 5.307 3.147 1.00 23.10 N ATOM 514 CA ALA X 461 12.876 4.575 4.124 1.00 30.24 C ATOM 515 C ALA X 461 14.055 3.876 3.458 1.00 45.21 C ATOM 516 O ALA X 461 15.168 3.873 3.986 1.00 60.24 O ATOM 517 CB ALA X 461 12.008 3.565 4.861 1.00 43.23 C ATOM 0 H ALA X 461 11.109 5.001 3.080 1.00 23.10 H new ATOM 0 HA ALA X 461 13.272 5.291 4.844 1.00 30.24 H new ATOM 0 HB1 ALA X 461 12.615 3.025 5.588 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.202 4.086 5.377 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.584 2.859 4.146 1.00 43.23 H new ATOM 523 N LEU X 462 13.806 3.283 2.295 1.00 41.14 N ATOM 524 CA LEU X 462 14.848 2.579 1.556 1.00 32.12 C ATOM 525 C LEU X 462 16.002 3.516 1.215 1.00 23.05 C ATOM 526 O LEU X 462 17.156 3.238 1.538 1.00 51.52 O ATOM 527 CB LEU X 462 14.272 1.972 0.276 1.00 22.31 C ATOM 528 CG LEU X 462 13.604 0.605 0.422 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.732 0.304 -0.788 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.652 -0.483 0.610 1.00 72.43 C ATOM 0 H LEU X 462 12.891 3.276 1.844 1.00 41.14 H new ATOM 0 HA LEU X 462 15.230 1.779 2.189 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.542 2.669 -0.136 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.076 1.885 -0.455 1.00 22.31 H new ATOM 0 HG LEU X 462 12.967 0.626 1.306 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.265 -0.673 -0.666 1.00 13.41 H new ATOM 0 HD12 LEU X 462 11.959 1.067 -0.878 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.347 0.302 -1.688 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.159 -1.450 0.712 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.314 -0.503 -0.255 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.234 -0.276 1.508 1.00 72.43 H new ATOM 541 N GLU X 463 15.680 4.628 0.561 1.00 4.01 N ATOM 542 CA GLU X 463 16.690 5.607 0.177 1.00 14.12 C ATOM 543 C GLU X 463 17.428 6.137 1.403 1.00 33.23 C ATOM 544 O GLU X 463 18.632 6.388 1.358 1.00 3.32 O ATOM 545 CB GLU X 463 16.045 6.767 -0.584 1.00 41.55 C ATOM 546 CG GLU X 463 15.133 6.320 -1.715 1.00 22.34 C ATOM 547 CD GLU X 463 15.590 6.830 -3.068 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.154 7.943 -3.122 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.383 6.118 -4.072 1.00 1.41 O ATOM 0 H GLU X 463 14.729 4.873 0.286 1.00 4.01 H new ATOM 0 HA GLU X 463 17.410 5.111 -0.473 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.471 7.375 0.115 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.830 7.404 -0.991 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.093 5.231 -1.736 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.120 6.673 -1.521 1.00 22.34 H new ATOM 554 N LYS X 464 16.695 6.306 2.499 1.00 23.51 N ATOM 555 CA LYS X 464 17.277 6.807 3.740 1.00 44.12 C ATOM 556 C LYS X 464 18.122 5.732 4.415 1.00 71.21 C ATOM 557 O LYS X 464 19.020 6.036 5.203 1.00 34.14 O ATOM 558 CB LYS X 464 16.175 7.277 4.691 1.00 41.33 C ATOM 559 CG LYS X 464 15.511 8.573 4.259 1.00 1.43 C ATOM 560 CD LYS X 464 14.235 8.834 5.043 1.00 74.45 C ATOM 561 CE LYS X 464 14.517 9.605 6.324 1.00 13.32 C ATOM 562 NZ LYS X 464 14.675 11.064 6.069 1.00 54.43 N ATOM 0 H LYS X 464 15.697 6.103 2.553 1.00 23.51 H new ATOM 0 HA LYS X 464 17.921 7.652 3.496 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.416 6.498 4.768 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.598 7.410 5.687 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.203 9.403 4.402 1.00 1.43 H new ATOM 0 HG3 LYS X 464 15.282 8.528 3.194 1.00 1.43 H new ATOM 0 HD2 LYS X 464 13.535 9.396 4.425 1.00 74.45 H new ATOM 0 HD3 LYS X 464 13.755 7.886 5.286 1.00 74.45 H new ATOM 0 HE2 LYS X 464 13.703 9.446 7.031 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.423 9.217 6.789 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.866 11.555 6.966 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 15.468 11.218 5.414 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.801 11.440 5.648 1.00 54.43 H new ATOM 572 N THR X 465 17.832 4.473 4.103 1.00 13.11 N ATOM 573 CA THR X 465 18.565 3.353 4.680 1.00 52.11 C ATOM 574 C THR X 465 19.726 2.937 3.783 1.00 75.51 C ATOM 575 O THR X 465 20.623 2.210 4.211 1.00 65.34 O ATOM 576 CB THR X 465 17.647 2.138 4.909 1.00 42.21 C ATOM 577 OG1 THR X 465 16.939 1.826 3.704 1.00 52.14 O ATOM 578 CG2 THR X 465 16.655 2.414 6.029 1.00 61.42 C ATOM 0 H THR X 465 17.094 4.203 3.453 1.00 13.11 H new ATOM 0 HA THR X 465 18.953 3.690 5.641 1.00 52.11 H new ATOM 0 HB THR X 465 18.268 1.289 5.196 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.342 2.309 2.953 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.017 1.542 6.173 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.197 2.624 6.951 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.040 3.274 5.766 1.00 61.42 H new ATOM 586 N GLY X 466 19.703 3.401 2.538 1.00 31.45 N ATOM 587 CA GLY X 466 20.760 3.066 1.601 1.00 73.12 C ATOM 588 C GLY X 466 20.356 1.962 0.643 1.00 2.02 C ATOM 589 O GLY X 466 21.163 1.093 0.311 1.00 72.31 O ATOM 0 H GLY X 466 18.971 4.003 2.161 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.033 3.955 1.032 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.647 2.757 2.154 1.00 73.12 H new ATOM 593 N TYR X 467 19.105 1.996 0.198 1.00 22.12 N ATOM 594 CA TYR X 467 18.595 0.988 -0.725 1.00 42.34 C ATOM 595 C TYR X 467 18.687 -0.406 -0.114 1.00 41.45 C ATOM 596 O TYR X 467 18.811 -1.402 -0.827 1.00 0.12 O ATOM 597 CB TYR X 467 19.371 1.034 -2.042 1.00 12.11 C ATOM 598 CG TYR X 467 19.276 2.362 -2.757 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.045 2.878 -3.144 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.416 3.103 -3.043 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.953 4.091 -3.799 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.333 4.318 -3.696 1.00 24.43 C ATOM 603 CZ TYR X 467 19.099 4.807 -4.072 1.00 42.32 C ATOM 604 OH TYR X 467 19.011 6.017 -4.722 1.00 45.41 O ATOM 0 H TYR X 467 18.426 2.710 0.461 1.00 22.12 H new ATOM 0 HA TYR X 467 17.546 1.209 -0.922 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.420 0.812 -1.844 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.999 0.249 -2.701 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.145 2.321 -2.929 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.383 2.723 -2.750 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.989 4.476 -4.096 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.229 4.882 -3.911 1.00 24.43 H new ATOM 0 HH TYR X 467 19.909 6.393 -4.836 1.00 45.41 H new ATOM 613 N VAL X 468 18.624 -0.470 1.212 1.00 21.22 N ATOM 614 CA VAL X 468 18.698 -1.742 1.920 1.00 11.54 C ATOM 615 C VAL X 468 17.316 -2.205 2.364 1.00 22.10 C ATOM 616 O VAL X 468 16.586 -1.469 3.030 1.00 25.15 O ATOM 617 CB VAL X 468 19.616 -1.645 3.153 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.766 -3.005 3.817 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.974 -1.081 2.764 1.00 32.52 C ATOM 0 H VAL X 468 18.522 0.344 1.818 1.00 21.22 H new ATOM 0 HA VAL X 468 19.114 -2.469 1.223 1.00 11.54 H new ATOM 0 HB VAL X 468 19.158 -0.965 3.871 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.418 -2.916 4.686 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.787 -3.365 4.133 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.200 -3.710 3.108 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.609 -1.020 3.648 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.441 -1.733 2.026 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.846 -0.085 2.339 1.00 32.52 H new ATOM 629 N LYS X 469 16.960 -3.430 1.993 1.00 2.33 N ATOM 630 CA LYS X 469 15.665 -3.994 2.354 1.00 73.34 C ATOM 631 C LYS X 469 15.593 -4.276 3.851 1.00 0.52 C ATOM 632 O LYS X 469 14.606 -3.945 4.508 1.00 43.22 O ATOM 633 CB LYS X 469 15.410 -5.283 1.568 1.00 64.33 C ATOM 634 CG LYS X 469 15.190 -5.056 0.083 1.00 65.33 C ATOM 635 CD LYS X 469 13.715 -4.886 -0.243 1.00 74.35 C ATOM 636 CE LYS X 469 13.379 -5.448 -1.615 1.00 63.33 C ATOM 637 NZ LYS X 469 12.921 -6.862 -1.540 1.00 50.11 N ATOM 0 H LYS X 469 17.551 -4.052 1.442 1.00 2.33 H new ATOM 0 HA LYS X 469 14.896 -3.264 2.102 1.00 73.34 H new ATOM 0 HB2 LYS X 469 16.258 -5.955 1.703 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.536 -5.785 1.984 1.00 64.33 H new ATOM 0 HG2 LYS X 469 15.738 -4.170 -0.236 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.593 -5.899 -0.478 1.00 65.33 H new ATOM 0 HD2 LYS X 469 13.114 -5.389 0.514 1.00 74.35 H new ATOM 0 HD3 LYS X 469 13.453 -3.829 -0.208 1.00 74.35 H new ATOM 0 HE2 LYS X 469 12.602 -4.839 -2.076 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.257 -5.385 -2.258 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 12.638 -7.186 -2.487 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.696 -7.460 -1.187 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.109 -6.930 -0.894 1.00 50.11 H new ATOM 647 N SER X 470 16.644 -4.889 4.385 1.00 71.13 N ATOM 648 CA SER X 470 16.699 -5.218 5.805 1.00 51.22 C ATOM 649 C SER X 470 16.536 -3.964 6.658 1.00 51.22 C ATOM 650 O SER X 470 15.674 -3.905 7.535 1.00 14.32 O ATOM 651 CB SER X 470 18.022 -5.908 6.139 1.00 52.44 C ATOM 652 OG SER X 470 18.324 -6.918 5.192 1.00 5.24 O ATOM 0 H SER X 470 17.470 -5.168 3.856 1.00 71.13 H new ATOM 0 HA SER X 470 15.877 -5.898 6.028 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.825 -5.171 6.158 1.00 52.44 H new ATOM 0 HB3 SER X 470 17.966 -6.345 7.136 1.00 52.44 H new ATOM 0 HG SER X 470 19.175 -7.343 5.427 1.00 5.24 H new ATOM 657 N ARG X 471 17.371 -2.965 6.396 1.00 75.24 N ATOM 658 CA ARG X 471 17.322 -1.712 7.140 1.00 11.02 C ATOM 659 C ARG X 471 15.985 -1.007 6.930 1.00 64.24 C ATOM 660 O ARG X 471 15.390 -0.488 7.875 1.00 23.30 O ATOM 661 CB ARG X 471 18.467 -0.794 6.713 1.00 3.34 C ATOM 662 CG ARG X 471 19.845 -1.347 7.038 1.00 74.42 C ATOM 663 CD ARG X 471 20.922 -0.700 6.180 1.00 11.42 C ATOM 664 NE ARG X 471 22.015 -1.623 5.885 1.00 42.13 N ATOM 665 CZ ARG X 471 23.194 -1.239 5.411 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.433 0.044 5.180 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.138 -2.138 5.168 1.00 13.40 N ATOM 0 H ARG X 471 18.090 -2.998 5.674 1.00 75.24 H new ATOM 0 HA ARG X 471 17.429 -1.944 8.200 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.399 -0.618 5.639 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.348 0.173 7.202 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.067 -1.177 8.092 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.852 -2.426 6.880 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.481 -0.351 5.247 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.317 0.177 6.694 1.00 11.42 H new ATOM 0 HE ARG X 471 21.864 -2.618 6.053 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.710 0.739 5.366 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.340 0.336 4.816 1.00 54.24 H new ATOM 0 HH21 ARG X 471 23.959 -3.126 5.345 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.043 -1.841 4.804 1.00 13.40 H new ATOM 678 N ALA X 472 15.519 -0.993 5.686 1.00 63.50 N ATOM 679 CA ALA X 472 14.252 -0.353 5.352 1.00 51.02 C ATOM 680 C ALA X 472 13.090 -1.023 6.078 1.00 14.44 C ATOM 681 O ALA X 472 12.195 -0.352 6.589 1.00 62.31 O ATOM 682 CB ALA X 472 14.026 -0.384 3.848 1.00 12.21 C ATOM 0 H ALA X 472 15.999 -1.417 4.893 1.00 63.50 H new ATOM 0 HA ALA X 472 14.300 0.685 5.680 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.077 0.097 3.613 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.836 0.147 3.347 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.004 -1.418 3.505 1.00 12.21 H new ATOM 688 N ALA X 473 13.111 -2.351 6.117 1.00 33.12 N ATOM 689 CA ALA X 473 12.060 -3.112 6.781 1.00 5.31 C ATOM 690 C ALA X 473 12.012 -2.796 8.272 1.00 1.25 C ATOM 691 O ALA X 473 10.962 -2.444 8.809 1.00 50.13 O ATOM 692 CB ALA X 473 12.269 -4.603 6.562 1.00 61.31 C ATOM 0 H ALA X 473 13.844 -2.922 5.697 1.00 33.12 H new ATOM 0 HA ALA X 473 11.104 -2.822 6.344 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.477 -5.159 7.063 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.245 -4.821 5.494 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.235 -4.899 6.971 1.00 61.31 H new ATOM 698 N LYS X 474 13.155 -2.927 8.936 1.00 62.03 N ATOM 699 CA LYS X 474 13.245 -2.654 10.366 1.00 24.40 C ATOM 700 C LYS X 474 12.879 -1.205 10.668 1.00 54.40 C ATOM 701 O LYS X 474 12.296 -0.905 11.711 1.00 74.45 O ATOM 702 CB LYS X 474 14.658 -2.951 10.875 1.00 34.32 C ATOM 703 CG LYS X 474 15.729 -2.081 10.240 1.00 3.21 C ATOM 704 CD LYS X 474 17.090 -2.322 10.870 1.00 54.32 C ATOM 705 CE LYS X 474 17.340 -1.376 12.034 1.00 20.00 C ATOM 706 NZ LYS X 474 18.795 -1.174 12.280 1.00 3.13 N ATOM 0 H LYS X 474 14.033 -3.221 8.507 1.00 62.03 H new ATOM 0 HA LYS X 474 12.536 -3.304 10.879 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.682 -2.812 11.956 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.892 -3.998 10.683 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.780 -2.288 9.171 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.458 -1.031 10.349 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.154 -3.353 11.217 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.869 -2.190 10.119 1.00 54.32 H new ATOM 0 HE2 LYS X 474 16.869 -0.415 11.829 1.00 20.00 H new ATOM 0 HE3 LYS X 474 16.871 -1.775 12.934 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 18.925 -0.523 13.081 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.240 -2.088 12.501 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 19.238 -0.770 11.430 1.00 3.13 H new ATOM 716 N LEU X 475 13.222 -0.309 9.750 1.00 10.44 N ATOM 717 CA LEU X 475 12.927 1.110 9.917 1.00 74.31 C ATOM 718 C LEU X 475 11.434 1.379 9.757 1.00 24.12 C ATOM 719 O LEU X 475 10.817 2.035 10.598 1.00 74.13 O ATOM 720 CB LEU X 475 13.718 1.938 8.903 1.00 52.05 C ATOM 721 CG LEU X 475 13.985 3.394 9.288 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.000 4.019 8.344 1.00 24.51 C ATOM 723 CD2 LEU X 475 12.689 4.193 9.285 1.00 53.02 C ATOM 0 H LEU X 475 13.705 -0.540 8.882 1.00 10.44 H new ATOM 0 HA LEU X 475 13.223 1.401 10.925 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.676 1.447 8.731 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.179 1.927 7.955 1.00 52.05 H new ATOM 0 HG LEU X 475 14.398 3.413 10.296 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.177 5.055 8.634 1.00 24.51 H new ATOM 0 HD12 LEU X 475 15.936 3.463 8.396 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.616 3.988 7.324 1.00 24.51 H new ATOM 0 HD21 LEU X 475 12.898 5.226 9.561 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.247 4.166 8.289 1.00 53.02 H new ATOM 0 HD23 LEU X 475 11.993 3.759 10.003 1.00 53.02 H new ATOM 734 N LEU X 476 10.859 0.867 8.674 1.00 14.12 N ATOM 735 CA LEU X 476 9.437 1.050 8.405 1.00 2.33 C ATOM 736 C LEU X 476 8.589 0.287 9.418 1.00 41.31 C ATOM 737 O LEU X 476 7.422 0.613 9.637 1.00 65.41 O ATOM 738 CB LEU X 476 9.103 0.583 6.988 1.00 21.22 C ATOM 739 CG LEU X 476 9.738 1.382 5.850 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.952 0.499 4.631 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.875 2.584 5.496 1.00 71.10 C ATOM 0 H LEU X 476 11.355 0.322 7.969 1.00 14.12 H new ATOM 0 HA LEU X 476 9.208 2.112 8.494 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.409 -0.458 6.889 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.020 0.610 6.864 1.00 21.22 H new ATOM 0 HG LEU X 476 10.710 1.744 6.185 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.405 1.086 3.832 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.612 -0.328 4.892 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.993 0.106 4.294 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.343 3.141 4.684 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.888 2.244 5.182 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.775 3.230 6.368 1.00 71.10 H new ATOM 752 N GLY X 477 9.183 -0.729 10.034 1.00 45.23 N ATOM 753 CA GLY X 477 8.468 -1.521 11.018 1.00 22.13 C ATOM 754 C GLY X 477 7.870 -2.781 10.425 1.00 61.31 C ATOM 755 O GLY X 477 7.012 -3.418 11.037 1.00 35.21 O ATOM 0 H GLY X 477 10.147 -1.019 9.870 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.148 -1.791 11.826 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.674 -0.918 11.458 1.00 22.13 H new ATOM 759 N TYR X 478 8.322 -3.142 9.229 1.00 41.35 N ATOM 760 CA TYR X 478 7.823 -4.332 8.551 1.00 51.13 C ATOM 761 C TYR X 478 8.933 -5.364 8.374 1.00 65.31 C ATOM 762 O TYR X 478 10.118 -5.040 8.453 1.00 40.51 O ATOM 763 CB TYR X 478 7.236 -3.960 7.189 1.00 71.43 C ATOM 764 CG TYR X 478 6.359 -2.729 7.223 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.459 -2.522 8.261 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.430 -1.773 6.217 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.655 -1.399 8.296 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.630 -0.647 6.245 1.00 51.13 C ATOM 769 CZ TYR X 478 4.744 -0.464 7.287 1.00 63.32 C ATOM 770 OH TYR X 478 3.946 0.657 7.318 1.00 43.33 O ATOM 0 H TYR X 478 9.033 -2.627 8.709 1.00 41.35 H new ATOM 0 HA TYR X 478 7.040 -4.770 9.170 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.051 -3.796 6.484 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.653 -4.801 6.812 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.387 -3.251 9.054 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.122 -1.913 5.400 1.00 30.21 H new ATOM 0 HE1 TYR X 478 3.960 -1.254 9.110 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.698 0.086 5.455 1.00 51.13 H new ATOM 0 HH TYR X 478 4.134 1.214 6.534 1.00 43.33 H new ATOM 779 N THR X 479 8.540 -6.611 8.133 1.00 31.11 N ATOM 780 CA THR X 479 9.498 -7.692 7.946 1.00 32.34 C ATOM 781 C THR X 479 9.909 -7.816 6.482 1.00 71.23 C ATOM 782 O THR X 479 9.255 -7.264 5.596 1.00 3.54 O ATOM 783 CB THR X 479 8.926 -9.040 8.422 1.00 31.32 C ATOM 784 OG1 THR X 479 9.880 -10.085 8.196 1.00 41.35 O ATOM 785 CG2 THR X 479 7.630 -9.364 7.695 1.00 33.32 C ATOM 0 H THR X 479 7.563 -6.897 8.063 1.00 31.11 H new ATOM 0 HA THR X 479 10.373 -7.445 8.547 1.00 32.34 H new ATOM 0 HB THR X 479 8.717 -8.964 9.489 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.509 -10.939 8.503 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.244 -10.321 8.048 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.897 -8.582 7.893 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.819 -9.422 6.623 1.00 33.32 H new ATOM 793 N LEU X 480 10.993 -8.542 6.237 1.00 51.22 N ATOM 794 CA LEU X 480 11.491 -8.738 4.880 1.00 73.24 C ATOM 795 C LEU X 480 10.371 -9.194 3.950 1.00 73.11 C ATOM 796 O LEU X 480 10.310 -8.787 2.790 1.00 12.40 O ATOM 797 CB LEU X 480 12.624 -9.766 4.873 1.00 54.35 C ATOM 798 CG LEU X 480 13.021 -10.320 3.505 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.433 -9.191 2.572 1.00 10.34 C ATOM 800 CD2 LEU X 480 14.147 -11.335 3.647 1.00 24.30 C ATOM 0 H LEU X 480 11.544 -9.005 6.960 1.00 51.22 H new ATOM 0 HA LEU X 480 11.873 -7.783 4.519 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.504 -9.310 5.327 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.333 -10.601 5.510 1.00 54.35 H new ATOM 0 HG LEU X 480 12.157 -10.824 3.073 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.712 -9.604 1.603 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.599 -8.501 2.446 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.283 -8.659 2.998 1.00 10.34 H new ATOM 0 HD21 LEU X 480 14.417 -11.719 2.663 1.00 24.30 H new ATOM 0 HD22 LEU X 480 15.015 -10.855 4.100 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.817 -12.159 4.280 1.00 24.30 H new ATOM 811 N ARG X 481 9.486 -10.040 4.467 1.00 60.01 N ATOM 812 CA ARG X 481 8.367 -10.550 3.684 1.00 5.23 C ATOM 813 C ARG X 481 7.402 -9.426 3.318 1.00 63.40 C ATOM 814 O ARG X 481 7.052 -9.252 2.152 1.00 34.21 O ATOM 815 CB ARG X 481 7.627 -11.639 4.461 1.00 22.32 C ATOM 816 CG ARG X 481 6.818 -12.576 3.579 1.00 15.42 C ATOM 817 CD ARG X 481 7.716 -13.544 2.824 1.00 33.20 C ATOM 818 NE ARG X 481 8.095 -14.691 3.644 1.00 11.02 N ATOM 819 CZ ARG X 481 9.026 -15.570 3.291 1.00 23.35 C ATOM 820 NH1 ARG X 481 9.670 -15.434 2.141 1.00 64.23 N ATOM 821 NH2 ARG X 481 9.315 -16.589 4.091 1.00 54.34 N ATOM 0 H ARG X 481 9.522 -10.387 5.426 1.00 60.01 H new ATOM 0 HA ARG X 481 8.766 -10.977 2.764 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.351 -12.223 5.029 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.960 -11.168 5.183 1.00 22.32 H new ATOM 0 HG2 ARG X 481 6.112 -13.136 4.192 1.00 15.42 H new ATOM 0 HG3 ARG X 481 6.231 -11.993 2.869 1.00 15.42 H new ATOM 0 HD2 ARG X 481 7.201 -13.893 1.929 1.00 33.20 H new ATOM 0 HD3 ARG X 481 8.614 -13.022 2.493 1.00 33.20 H new ATOM 0 HE ARG X 481 7.619 -14.824 4.536 1.00 11.02 H new ATOM 0 HH11 ARG X 481 9.451 -14.652 1.523 1.00 64.23 H new ATOM 0 HH12 ARG X 481 10.384 -16.111 1.873 1.00 64.23 H new ATOM 0 HH21 ARG X 481 8.822 -16.697 4.977 1.00 54.34 H new ATOM 0 HH22 ARG X 481 10.030 -17.264 3.819 1.00 54.34 H new ATOM 832 N GLN X 482 6.977 -8.667 4.324 1.00 43.45 N ATOM 833 CA GLN X 482 6.052 -7.561 4.108 1.00 74.43 C ATOM 834 C GLN X 482 6.653 -6.526 3.163 1.00 15.22 C ATOM 835 O GLN X 482 6.048 -6.169 2.150 1.00 24.12 O ATOM 836 CB GLN X 482 5.691 -6.904 5.440 1.00 61.30 C ATOM 837 CG GLN X 482 4.790 -7.759 6.317 1.00 11.44 C ATOM 838 CD GLN X 482 3.581 -8.288 5.570 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.331 -9.493 5.545 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.823 -7.386 4.957 1.00 62.51 N ATOM 0 H GLN X 482 7.259 -8.798 5.296 1.00 43.45 H new ATOM 0 HA GLN X 482 5.147 -7.961 3.651 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.608 -6.680 5.985 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.196 -5.953 5.244 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.364 -8.597 6.713 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.456 -7.170 7.171 1.00 11.44 H new ATOM 0 HE21 GLN X 482 3.068 -6.397 5.004 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.996 -7.682 4.439 1.00 62.51 H new ATOM 847 N LEU X 483 7.845 -6.047 3.499 1.00 30.43 N ATOM 848 CA LEU X 483 8.529 -5.051 2.681 1.00 23.25 C ATOM 849 C LEU X 483 8.603 -5.501 1.225 1.00 43.34 C ATOM 850 O LEU X 483 8.199 -4.773 0.318 1.00 12.42 O ATOM 851 CB LEU X 483 9.937 -4.797 3.221 1.00 32.11 C ATOM 852 CG LEU X 483 10.662 -3.574 2.658 1.00 53.13 C ATOM 853 CD1 LEU X 483 9.954 -2.294 3.077 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.113 -3.557 3.115 1.00 65.25 C ATOM 0 H LEU X 483 8.359 -6.332 4.333 1.00 30.43 H new ATOM 0 HA LEU X 483 7.957 -4.124 2.727 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.875 -4.691 4.304 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.546 -5.679 3.021 1.00 32.11 H new ATOM 0 HG LEU X 483 10.645 -3.635 1.570 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.484 -1.434 2.667 1.00 33.51 H new ATOM 0 HD12 LEU X 483 8.931 -2.304 2.700 1.00 33.51 H new ATOM 0 HD13 LEU X 483 9.939 -2.226 4.165 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.613 -2.680 2.705 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.151 -3.521 4.204 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.616 -4.458 2.764 1.00 65.25 H new ATOM 865 N ASP X 484 9.122 -6.705 1.009 1.00 4.40 N ATOM 866 CA ASP X 484 9.246 -7.254 -0.335 1.00 74.33 C ATOM 867 C ASP X 484 7.906 -7.222 -1.062 1.00 23.13 C ATOM 868 O ASP X 484 7.829 -6.842 -2.231 1.00 2.41 O ATOM 869 CB ASP X 484 9.775 -8.688 -0.277 1.00 53.22 C ATOM 870 CG ASP X 484 10.312 -9.162 -1.614 1.00 43.05 C ATOM 871 OD1 ASP X 484 9.712 -8.813 -2.651 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.332 -9.883 -1.621 1.00 13.14 O ATOM 0 H ASP X 484 9.464 -7.319 1.748 1.00 4.40 H new ATOM 0 HA ASP X 484 9.953 -6.636 -0.888 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.565 -8.751 0.471 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.975 -9.354 0.047 1.00 53.22 H new ATOM 876 N TYR X 485 6.850 -7.624 -0.363 1.00 62.24 N ATOM 877 CA TYR X 485 5.512 -7.645 -0.942 1.00 54.52 C ATOM 878 C TYR X 485 5.091 -6.249 -1.392 1.00 35.33 C ATOM 879 O TYR X 485 4.438 -6.087 -2.423 1.00 43.32 O ATOM 880 CB TYR X 485 4.504 -8.193 0.070 1.00 42.42 C ATOM 881 CG TYR X 485 3.211 -8.663 -0.557 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.144 -9.878 -1.229 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.058 -7.892 -0.481 1.00 34.51 C ATOM 884 CE1 TYR X 485 1.965 -10.312 -1.804 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.874 -8.318 -1.051 1.00 35.54 C ATOM 886 CZ TYR X 485 0.833 -9.529 -1.713 1.00 72.11 C ATOM 887 OH TYR X 485 -0.344 -9.956 -2.283 1.00 32.54 O ATOM 0 H TYR X 485 6.895 -7.940 0.606 1.00 62.24 H new ATOM 0 HA TYR X 485 5.532 -8.298 -1.815 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.959 -9.023 0.610 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.282 -7.419 0.804 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.029 -10.493 -1.303 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.088 -6.943 0.033 1.00 34.51 H new ATOM 0 HE1 TYR X 485 1.930 -11.259 -2.322 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.014 -7.708 -0.979 1.00 35.54 H new ATOM 0 HH TYR X 485 -1.044 -9.288 -2.127 1.00 32.54 H new ATOM 896 N ARG X 486 5.471 -5.243 -0.610 1.00 30.20 N ATOM 897 CA ARG X 486 5.134 -3.861 -0.926 1.00 23.23 C ATOM 898 C ARG X 486 5.973 -3.349 -2.093 1.00 23.24 C ATOM 899 O ARG X 486 5.472 -2.642 -2.967 1.00 73.10 O ATOM 900 CB ARG X 486 5.346 -2.969 0.298 1.00 32.34 C ATOM 901 CG ARG X 486 4.725 -3.522 1.570 1.00 43.42 C ATOM 902 CD ARG X 486 3.360 -2.906 1.837 1.00 11.40 C ATOM 903 NE ARG X 486 2.431 -3.135 0.734 1.00 15.11 N ATOM 904 CZ ARG X 486 1.306 -2.451 0.567 1.00 21.53 C ATOM 905 NH1 ARG X 486 0.971 -1.498 1.428 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.511 -2.717 -0.462 1.00 1.14 N ATOM 0 H ARG X 486 6.012 -5.360 0.247 1.00 30.20 H new ATOM 0 HA ARG X 486 4.083 -3.827 -1.214 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.416 -2.832 0.456 1.00 32.34 H new ATOM 0 HB3 ARG X 486 4.925 -1.984 0.097 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.627 -4.604 1.488 1.00 43.42 H new ATOM 0 HG3 ARG X 486 5.386 -3.325 2.414 1.00 43.42 H new ATOM 0 HD2 ARG X 486 2.946 -3.326 2.753 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.472 -1.834 2.000 1.00 11.40 H new ATOM 0 HE ARG X 486 2.659 -3.861 0.054 1.00 15.11 H new ATOM 0 HH11 ARG X 486 1.579 -1.290 2.220 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.106 -0.974 1.297 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.764 -3.448 -1.126 1.00 1.14 H new ATOM 0 HH22 ARG X 486 -0.353 -2.190 -0.588 1.00 1.14 H new ATOM 917 N ILE X 487 7.251 -3.712 -2.100 1.00 12.05 N ATOM 918 CA ILE X 487 8.159 -3.290 -3.159 1.00 10.12 C ATOM 919 C ILE X 487 7.682 -3.784 -4.521 1.00 62.30 C ATOM 920 O ILE X 487 7.732 -3.055 -5.511 1.00 15.43 O ATOM 921 CB ILE X 487 9.590 -3.803 -2.911 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.171 -3.167 -1.647 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.474 -3.506 -4.114 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.170 -1.655 -1.675 1.00 35.13 C ATOM 0 H ILE X 487 7.681 -4.298 -1.384 1.00 12.05 H new ATOM 0 HA ILE X 487 8.167 -2.200 -3.153 1.00 10.12 H new ATOM 0 HB ILE X 487 9.554 -4.883 -2.768 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.599 -3.506 -0.784 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.194 -3.519 -1.510 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.482 -3.874 -3.924 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.067 -4.001 -4.996 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.507 -2.430 -4.285 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.596 -1.274 -0.747 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.766 -1.306 -2.518 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.147 -1.294 -1.780 1.00 35.13 H new ATOM 935 N LYS X 488 7.219 -5.029 -4.563 1.00 1.41 N ATOM 936 CA LYS X 488 6.730 -5.623 -5.802 1.00 43.53 C ATOM 937 C LYS X 488 5.370 -5.047 -6.180 1.00 53.44 C ATOM 938 O LYS X 488 5.080 -4.834 -7.358 1.00 72.22 O ATOM 939 CB LYS X 488 6.630 -7.143 -5.658 1.00 2.51 C ATOM 940 CG LYS X 488 5.684 -7.589 -4.558 1.00 3.34 C ATOM 941 CD LYS X 488 5.603 -9.104 -4.472 1.00 3.43 C ATOM 942 CE LYS X 488 4.996 -9.703 -5.732 1.00 41.43 C ATOM 943 NZ LYS X 488 6.042 -10.139 -6.698 1.00 22.33 N ATOM 0 H LYS X 488 7.172 -5.647 -3.753 1.00 1.41 H new ATOM 0 HA LYS X 488 7.439 -5.386 -6.595 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.298 -7.568 -6.605 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.623 -7.547 -5.458 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.021 -7.187 -3.602 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.691 -7.181 -4.744 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.601 -9.514 -4.317 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.003 -9.389 -3.607 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.371 -10.555 -5.464 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.346 -8.968 -6.207 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 5.766 -9.855 -7.660 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.949 -9.694 -6.452 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 6.142 -11.173 -6.658 1.00 22.33 H new ATOM 953 N LYS X 489 4.538 -4.795 -5.175 1.00 24.34 N ATOM 954 CA LYS X 489 3.209 -4.241 -5.402 1.00 21.32 C ATOM 955 C LYS X 489 3.297 -2.804 -5.907 1.00 63.33 C ATOM 956 O LYS X 489 2.588 -2.418 -6.836 1.00 53.33 O ATOM 957 CB LYS X 489 2.387 -4.289 -4.112 1.00 54.52 C ATOM 958 CG LYS X 489 1.282 -5.332 -4.133 1.00 54.51 C ATOM 959 CD LYS X 489 1.847 -6.741 -4.192 1.00 14.12 C ATOM 960 CE LYS X 489 1.588 -7.389 -5.544 1.00 62.31 C ATOM 961 NZ LYS X 489 0.133 -7.542 -5.816 1.00 3.10 N ATOM 0 H LYS X 489 4.761 -4.966 -4.195 1.00 24.34 H new ATOM 0 HA LYS X 489 2.716 -4.846 -6.163 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.053 -4.494 -3.274 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.946 -3.308 -3.935 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.662 -5.225 -3.243 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.636 -5.162 -4.994 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.920 -6.712 -4.001 1.00 14.12 H new ATOM 0 HD3 LYS X 489 1.399 -7.347 -3.405 1.00 14.12 H new ATOM 0 HE2 LYS X 489 2.043 -6.785 -6.329 1.00 62.31 H new ATOM 0 HE3 LYS X 489 2.068 -8.367 -5.576 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.019 -8.355 -6.447 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.373 -7.699 -4.921 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 -0.228 -6.679 -6.271 1.00 3.10 H new ATOM 971 N TYR X 490 4.173 -2.018 -5.291 1.00 63.10 N ATOM 972 CA TYR X 490 4.353 -0.624 -5.678 1.00 65.13 C ATOM 973 C TYR X 490 5.436 -0.491 -6.745 1.00 43.30 C ATOM 974 O TYR X 490 5.711 0.605 -7.233 1.00 45.35 O ATOM 975 CB TYR X 490 4.716 0.223 -4.458 1.00 31.24 C ATOM 976 CG TYR X 490 3.609 0.313 -3.432 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.406 0.937 -3.733 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.768 -0.225 -2.160 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.391 1.023 -2.799 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.759 -0.145 -1.220 1.00 30.22 C ATOM 981 CZ TYR X 490 1.573 0.479 -1.544 1.00 51.31 C ATOM 982 OH TYR X 490 0.565 0.562 -0.610 1.00 54.23 O ATOM 0 H TYR X 490 4.769 -2.323 -4.522 1.00 63.10 H new ATOM 0 HA TYR X 490 3.412 -0.264 -6.094 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.604 -0.197 -3.986 1.00 31.24 H new ATOM 0 HB3 TYR X 490 4.976 1.229 -4.789 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.261 1.363 -4.715 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.696 -0.714 -1.902 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.462 1.513 -3.050 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.898 -0.569 -0.237 1.00 30.22 H new ATOM 0 HH TYR X 490 -0.018 -0.222 -0.687 1.00 54.23 H new ATOM 991 N GLY X 491 6.046 -1.616 -7.103 1.00 12.33 N ATOM 992 CA GLY X 491 7.092 -1.605 -8.110 1.00 73.13 C ATOM 993 C GLY X 491 8.173 -0.586 -7.811 1.00 70.25 C ATOM 994 O GLY X 491 8.614 0.141 -8.702 1.00 25.21 O ATOM 0 H GLY X 491 5.835 -2.535 -6.714 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.540 -2.597 -8.175 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.652 -1.389 -9.084 1.00 73.13 H new ATOM 998 N ILE X 492 8.602 -0.531 -6.554 1.00 33.34 N ATOM 999 CA ILE X 492 9.638 0.407 -6.140 1.00 12.35 C ATOM 1000 C ILE X 492 11.017 -0.064 -6.590 1.00 73.33 C ATOM 1001 O ILE X 492 11.248 -1.260 -6.764 1.00 45.43 O ATOM 1002 CB ILE X 492 9.647 0.598 -4.612 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.221 0.792 -4.093 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.520 1.785 -4.232 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.139 0.935 -2.589 1.00 21.21 C ATOM 0 H ILE X 492 8.248 -1.125 -5.805 1.00 33.34 H new ATOM 0 HA ILE X 492 9.409 1.361 -6.616 1.00 12.35 H new ATOM 0 HB ILE X 492 10.064 -0.297 -4.151 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.791 1.679 -4.558 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.612 -0.057 -4.403 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.516 1.907 -3.149 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.540 1.611 -4.574 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.130 2.688 -4.700 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.099 1.069 -2.292 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.538 0.038 -2.116 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.721 1.801 -2.274 1.00 21.21 H new ATOM 1016 N GLU X 493 11.929 0.885 -6.773 1.00 41.10 N ATOM 1017 CA GLU X 493 13.286 0.566 -7.202 1.00 52.04 C ATOM 1018 C GLU X 493 14.247 0.571 -6.016 1.00 43.33 C ATOM 1019 O GLU X 493 13.938 1.114 -4.954 1.00 63.45 O ATOM 1020 CB GLU X 493 13.759 1.566 -8.259 1.00 63.11 C ATOM 1021 CG GLU X 493 12.858 1.633 -9.480 1.00 11.52 C ATOM 1022 CD GLU X 493 12.989 2.944 -10.231 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.891 4.010 -9.588 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.192 2.903 -11.463 1.00 62.13 O ATOM 0 H GLU X 493 11.754 1.880 -6.631 1.00 41.10 H new ATOM 0 HA GLU X 493 13.277 -0.434 -7.636 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.820 2.557 -7.808 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.767 1.297 -8.576 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.100 0.809 -10.151 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.822 1.498 -9.170 1.00 11.52 H new