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 Set 1.1: X 485 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: X 488 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: X 489 LYS NZ :NH3+ -168:sc= 0.0049 (180deg=-0.0765) USER MOD Single : X 455 LYS NZ :NH3+ -124:sc= -0.0408 (180deg=-1.59!) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.337) USER MOD Single : X 465 THR OG1 : rot 8:sc= 0.393 USER MOD Single : X 467 TYR OH : rot 44:sc= 1.2 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 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.288 USER MOD Single : X 482 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : X 490 TYR OH : rot 120:sc= -1.71 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.164 5.094 1.298 1.00 61.44 N ATOM 395 CA GLU X 454 2.860 3.837 1.545 1.00 4.33 C ATOM 396 C GLU X 454 4.102 3.720 0.665 1.00 54.22 C ATOM 397 O GLU X 454 5.193 3.418 1.148 1.00 33.03 O ATOM 398 CB GLU X 454 1.927 2.652 1.288 1.00 4.25 C ATOM 399 CG GLU X 454 2.485 1.322 1.765 1.00 54.45 C ATOM 400 CD GLU X 454 2.789 1.316 3.250 1.00 73.14 C ATOM 401 OE1 GLU X 454 2.092 2.030 4.001 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.723 0.595 3.662 1.00 25.31 O ATOM 0 HA GLU X 454 3.173 3.824 2.589 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.975 2.836 1.785 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.721 2.588 0.220 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.769 0.531 1.541 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.395 1.094 1.211 1.00 54.45 H new ATOM 407 N LYS X 455 3.927 3.963 -0.629 1.00 25.33 N ATOM 408 CA LYS X 455 5.031 3.886 -1.579 1.00 0.54 C ATOM 409 C LYS X 455 6.106 4.916 -1.246 1.00 62.42 C ATOM 410 O LYS X 455 7.300 4.615 -1.277 1.00 21.12 O ATOM 411 CB LYS X 455 4.521 4.108 -3.005 1.00 34.23 C ATOM 412 CG LYS X 455 5.630 4.224 -4.036 1.00 13.52 C ATOM 413 CD LYS X 455 5.930 5.676 -4.370 1.00 51.32 C ATOM 414 CE LYS X 455 7.426 5.941 -4.412 1.00 3.43 C ATOM 415 NZ LYS X 455 7.951 5.945 -5.806 1.00 10.05 N ATOM 0 H LYS X 455 3.030 4.215 -1.045 1.00 25.33 H new ATOM 0 HA LYS X 455 5.470 2.891 -1.508 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.865 3.282 -3.280 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.918 5.015 -3.029 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.532 3.743 -3.658 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.342 3.693 -4.943 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.488 5.927 -5.334 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.465 6.325 -3.627 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.638 6.901 -3.942 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.946 5.180 -3.831 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.720 5.250 -5.889 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.186 5.696 -6.466 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 8.314 6.892 -6.038 1.00 10.05 H new ATOM 425 N LYS X 456 5.676 6.132 -0.928 1.00 23.55 N ATOM 426 CA LYS X 456 6.600 7.206 -0.587 1.00 51.54 C ATOM 427 C LYS X 456 7.405 6.857 0.661 1.00 23.14 C ATOM 428 O LYS X 456 8.591 7.174 0.755 1.00 54.11 O ATOM 429 CB LYS X 456 5.836 8.514 -0.364 1.00 65.35 C ATOM 430 CG LYS X 456 5.630 9.322 -1.634 1.00 12.34 C ATOM 431 CD LYS X 456 5.238 10.757 -1.323 1.00 41.13 C ATOM 432 CE LYS X 456 3.737 10.893 -1.122 1.00 35.30 C ATOM 433 NZ LYS X 456 3.401 12.009 -0.194 1.00 61.51 N ATOM 0 H LYS X 456 4.692 6.398 -0.899 1.00 23.55 H new ATOM 0 HA LYS X 456 7.291 7.333 -1.420 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.864 8.287 0.074 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.378 9.123 0.360 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.546 9.314 -2.225 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.855 8.855 -2.242 1.00 12.34 H new ATOM 0 HD2 LYS X 456 5.758 11.091 -0.425 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.558 11.407 -2.137 1.00 41.13 H new ATOM 0 HE2 LYS X 456 3.256 11.064 -2.085 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.337 9.959 -0.727 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 2.369 12.069 -0.083 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 3.839 11.834 0.733 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.760 12.904 -0.583 1.00 61.51 H new ATOM 443 N ARG X 457 6.753 6.202 1.615 1.00 71.11 N ATOM 444 CA ARG X 457 7.408 5.808 2.857 1.00 35.12 C ATOM 445 C ARG X 457 8.467 4.740 2.599 1.00 55.14 C ATOM 446 O ARG X 457 9.593 4.838 3.088 1.00 20.31 O ATOM 447 CB ARG X 457 6.378 5.286 3.860 1.00 21.50 C ATOM 448 CG ARG X 457 5.799 6.369 4.756 1.00 50.23 C ATOM 449 CD ARG X 457 6.123 6.112 6.219 1.00 12.04 C ATOM 450 NE ARG X 457 5.107 6.667 7.111 1.00 20.01 N ATOM 451 CZ ARG X 457 3.902 6.133 7.275 1.00 74.42 C ATOM 452 NH1 ARG X 457 3.564 5.036 6.611 1.00 71.32 N ATOM 453 NH2 ARG X 457 3.033 6.695 8.104 1.00 51.31 N ATOM 0 H ARG X 457 5.771 5.933 1.552 1.00 71.11 H new ATOM 0 HA ARG X 457 7.897 6.688 3.274 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.566 4.803 3.316 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.844 4.522 4.482 1.00 21.50 H new ATOM 0 HG2 ARG X 457 6.196 7.340 4.459 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.718 6.413 4.624 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.207 5.039 6.388 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.093 6.549 6.458 1.00 12.04 H new ATOM 0 HE ARG X 457 5.336 7.511 7.636 1.00 20.01 H new ATOM 0 HH11 ARG X 457 4.230 4.601 5.973 1.00 71.32 H new ATOM 0 HH12 ARG X 457 2.638 4.628 6.739 1.00 71.32 H new ATOM 0 HH21 ARG X 457 3.290 7.539 8.617 1.00 51.31 H new ATOM 0 HH22 ARG X 457 2.108 6.284 8.229 1.00 51.31 H new ATOM 464 N ILE X 458 8.099 3.724 1.827 1.00 20.05 N ATOM 465 CA ILE X 458 9.017 2.640 1.503 1.00 63.42 C ATOM 466 C ILE X 458 10.239 3.159 0.752 1.00 45.00 C ATOM 467 O ILE X 458 11.377 2.902 1.145 1.00 10.42 O ATOM 468 CB ILE X 458 8.330 1.554 0.653 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.158 0.940 1.422 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.331 0.479 0.256 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.587 0.013 2.537 1.00 74.53 C ATOM 0 H ILE X 458 7.171 3.629 1.414 1.00 20.05 H new ATOM 0 HA ILE X 458 9.334 2.203 2.450 1.00 63.42 H new ATOM 0 HB ILE X 458 7.943 2.015 -0.256 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.549 1.741 1.841 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.526 0.389 0.726 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.830 -0.281 -0.344 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.136 0.928 -0.326 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.745 0.018 1.153 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.705 -0.385 3.039 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.171 -0.809 2.123 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.195 0.564 3.255 1.00 74.53 H new ATOM 482 N ILE X 459 9.995 3.892 -0.329 1.00 30.41 N ATOM 483 CA ILE X 459 11.075 4.450 -1.133 1.00 14.13 C ATOM 484 C ILE X 459 11.923 5.419 -0.317 1.00 54.12 C ATOM 485 O ILE X 459 13.141 5.478 -0.477 1.00 73.32 O ATOM 486 CB ILE X 459 10.532 5.181 -2.375 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.679 5.559 -3.313 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.749 6.420 -1.961 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.328 5.435 -4.779 1.00 14.20 C ATOM 0 H ILE X 459 9.059 4.113 -0.668 1.00 30.41 H new ATOM 0 HA ILE X 459 11.694 3.613 -1.456 1.00 14.13 H new ATOM 0 HB ILE X 459 9.858 4.510 -2.907 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.983 6.585 -3.106 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.538 4.923 -3.098 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.372 6.926 -2.850 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.912 6.127 -1.328 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.402 7.096 -1.409 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.189 5.719 -5.384 1.00 14.20 H new ATOM 0 HD12 ILE X 459 11.052 4.404 -5.001 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.490 6.092 -5.009 1.00 14.20 H new ATOM 500 N GLU X 460 11.270 6.175 0.560 1.00 70.03 N ATOM 501 CA GLU X 460 11.966 7.142 1.403 1.00 55.24 C ATOM 502 C GLU X 460 12.932 6.439 2.352 1.00 12.02 C ATOM 503 O GLU X 460 14.108 6.793 2.433 1.00 12.20 O ATOM 504 CB GLU X 460 10.960 7.972 2.202 1.00 64.30 C ATOM 505 CG GLU X 460 11.601 8.844 3.268 1.00 23.33 C ATOM 506 CD GLU X 460 10.678 9.943 3.757 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.515 9.986 3.305 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.120 10.761 4.591 1.00 44.32 O ATOM 0 H GLU X 460 10.261 6.137 0.706 1.00 70.03 H new ATOM 0 HA GLU X 460 12.539 7.806 0.755 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.398 8.606 1.516 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.243 7.301 2.676 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.897 8.221 4.112 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.511 9.291 2.867 1.00 23.33 H new ATOM 513 N ALA X 461 12.425 5.441 3.069 1.00 23.10 N ATOM 514 CA ALA X 461 13.241 4.687 4.013 1.00 30.24 C ATOM 515 C ALA X 461 14.414 4.015 3.308 1.00 45.21 C ATOM 516 O ALA X 461 15.549 4.065 3.783 1.00 60.24 O ATOM 517 CB ALA X 461 12.393 3.652 4.735 1.00 43.23 C ATOM 0 H ALA X 461 11.453 5.136 3.014 1.00 23.10 H new ATOM 0 HA ALA X 461 13.643 5.385 4.747 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.016 3.097 5.436 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.592 4.153 5.279 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.963 2.963 4.008 1.00 43.23 H new ATOM 523 N LEU X 462 14.133 3.384 2.173 1.00 41.14 N ATOM 524 CA LEU X 462 15.166 2.700 1.402 1.00 32.12 C ATOM 525 C LEU X 462 16.286 3.661 1.019 1.00 23.05 C ATOM 526 O LEU X 462 17.457 3.410 1.304 1.00 51.52 O ATOM 527 CB LEU X 462 14.561 2.075 0.144 1.00 22.31 C ATOM 528 CG LEU X 462 13.912 0.702 0.322 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.953 0.412 -0.823 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.974 -0.383 0.417 1.00 72.43 C ATOM 0 H LEU X 462 13.199 3.332 1.766 1.00 41.14 H new ATOM 0 HA LEU X 462 15.587 1.911 2.025 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.812 2.760 -0.253 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.345 1.989 -0.608 1.00 22.31 H new ATOM 0 HG LEU X 462 13.344 0.709 1.252 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.501 -0.569 -0.679 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.172 1.172 -0.845 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.498 0.425 -1.767 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.493 -1.353 0.543 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.570 -0.390 -0.496 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.621 -0.185 1.271 1.00 72.43 H new ATOM 541 N GLU X 463 15.918 4.762 0.372 1.00 4.01 N ATOM 542 CA GLU X 463 16.893 5.762 -0.050 1.00 14.12 C ATOM 543 C GLU X 463 17.699 6.272 1.141 1.00 33.23 C ATOM 544 O GLU X 463 18.901 6.517 1.034 1.00 3.32 O ATOM 545 CB GLU X 463 16.190 6.931 -0.742 1.00 41.55 C ATOM 546 CG GLU X 463 15.396 6.523 -1.972 1.00 22.34 C ATOM 547 CD GLU X 463 16.091 6.900 -3.266 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.335 7.017 -3.259 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.391 7.077 -4.285 1.00 1.41 O ATOM 0 H GLU X 463 14.953 4.985 0.129 1.00 4.01 H new ATOM 0 HA GLU X 463 17.578 5.290 -0.755 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.519 7.413 -0.031 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.935 7.672 -1.031 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.231 5.446 -1.953 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.415 6.996 -1.940 1.00 22.34 H new ATOM 554 N LYS X 464 17.029 6.429 2.278 1.00 23.51 N ATOM 555 CA LYS X 464 17.680 6.909 3.491 1.00 44.12 C ATOM 556 C LYS X 464 18.571 5.827 4.094 1.00 71.21 C ATOM 557 O LYS X 464 19.527 6.124 4.811 1.00 34.14 O ATOM 558 CB LYS X 464 16.634 7.353 4.515 1.00 41.33 C ATOM 559 CG LYS X 464 16.045 8.723 4.229 1.00 1.43 C ATOM 560 CD LYS X 464 14.632 8.848 4.776 1.00 74.45 C ATOM 561 CE LYS X 464 14.634 9.312 6.225 1.00 13.32 C ATOM 562 NZ LYS X 464 14.887 8.187 7.167 1.00 54.43 N ATOM 0 H LYS X 464 16.034 6.230 2.384 1.00 23.51 H new ATOM 0 HA LYS X 464 18.304 7.763 3.226 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.829 6.619 4.541 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.089 7.362 5.506 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.677 9.492 4.673 1.00 1.43 H new ATOM 0 HG3 LYS X 464 16.037 8.899 3.153 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.066 9.554 4.168 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.125 7.886 4.702 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.398 10.078 6.360 1.00 13.32 H new ATOM 0 HE3 LYS X 464 13.675 9.774 6.460 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.555 8.448 8.117 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 14.377 7.341 6.842 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 15.907 7.985 7.200 1.00 54.43 H new ATOM 572 N THR X 465 18.253 4.572 3.797 1.00 13.11 N ATOM 573 CA THR X 465 19.025 3.446 4.310 1.00 52.11 C ATOM 574 C THR X 465 20.110 3.029 3.324 1.00 75.51 C ATOM 575 O THR X 465 20.965 2.203 3.640 1.00 65.34 O ATOM 576 CB THR X 465 18.121 2.233 4.605 1.00 42.21 C ATOM 577 OG1 THR X 465 17.380 1.877 3.433 1.00 52.14 O ATOM 578 CG2 THR X 465 17.161 2.539 5.745 1.00 61.42 C ATOM 0 H THR X 465 17.466 4.309 3.204 1.00 13.11 H new ATOM 0 HA THR X 465 19.490 3.778 5.238 1.00 52.11 H new ATOM 0 HB THR X 465 18.756 1.398 4.900 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.698 2.406 2.672 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.533 1.669 5.935 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.729 2.781 6.644 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.533 3.387 5.474 1.00 61.42 H new ATOM 586 N GLY X 466 20.069 3.606 2.126 1.00 31.45 N ATOM 587 CA GLY X 466 21.055 3.281 1.112 1.00 73.12 C ATOM 588 C GLY X 466 20.595 2.170 0.191 1.00 2.02 C ATOM 589 O GLY X 466 21.380 1.296 -0.179 1.00 72.31 O ATOM 0 H GLY X 466 19.371 4.292 1.840 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.272 4.171 0.522 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.986 2.985 1.596 1.00 73.12 H new ATOM 593 N TYR X 467 19.320 2.200 -0.179 1.00 22.12 N ATOM 594 CA TYR X 467 18.755 1.184 -1.060 1.00 42.34 C ATOM 595 C TYR X 467 18.870 -0.203 -0.436 1.00 41.45 C ATOM 596 O TYR X 467 19.317 -1.152 -1.081 1.00 0.12 O ATOM 597 CB TYR X 467 19.461 1.206 -2.416 1.00 12.11 C ATOM 598 CG TYR X 467 19.365 2.536 -3.128 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.131 3.107 -3.414 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.510 3.223 -3.515 1.00 42.12 C ATOM 601 CE1 TYR X 467 18.039 4.322 -4.065 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.426 4.440 -4.164 1.00 24.43 C ATOM 603 CZ TYR X 467 19.189 4.985 -4.437 1.00 42.32 C ATOM 604 OH TYR X 467 19.102 6.195 -5.085 1.00 45.41 O ATOM 0 H TYR X 467 18.658 2.917 0.117 1.00 22.12 H new ATOM 0 HA TYR X 467 17.699 1.411 -1.204 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.512 0.955 -2.273 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.032 0.431 -3.052 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.228 2.592 -3.122 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.481 2.799 -3.305 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.071 4.750 -4.281 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.325 4.962 -4.456 1.00 24.43 H new ATOM 0 HH TYR X 467 18.422 6.751 -4.650 1.00 45.41 H new ATOM 613 N VAL X 468 18.464 -0.313 0.825 1.00 21.22 N ATOM 614 CA VAL X 468 18.520 -1.584 1.538 1.00 11.54 C ATOM 615 C VAL X 468 17.138 -1.996 2.034 1.00 22.10 C ATOM 616 O VAL X 468 16.472 -1.245 2.746 1.00 25.15 O ATOM 617 CB VAL X 468 19.482 -1.513 2.738 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.616 -2.877 3.397 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.842 -0.989 2.298 1.00 32.52 C ATOM 0 H VAL X 468 18.093 0.462 1.374 1.00 21.22 H new ATOM 0 HA VAL X 468 18.887 -2.328 0.831 1.00 11.54 H new ATOM 0 HB VAL X 468 19.070 -0.821 3.472 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.300 -2.807 4.243 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.639 -3.210 3.747 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.006 -3.594 2.674 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.510 -0.945 3.158 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.263 -1.656 1.545 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.728 0.009 1.875 1.00 32.52 H new ATOM 629 N LYS X 469 16.713 -3.196 1.653 1.00 2.33 N ATOM 630 CA LYS X 469 15.410 -3.712 2.059 1.00 73.34 C ATOM 631 C LYS X 469 15.387 -4.013 3.554 1.00 0.52 C ATOM 632 O LYS X 469 14.466 -3.611 4.265 1.00 43.22 O ATOM 633 CB LYS X 469 15.070 -4.976 1.267 1.00 64.33 C ATOM 634 CG LYS X 469 14.529 -4.696 -0.123 1.00 65.33 C ATOM 635 CD LYS X 469 13.694 -5.856 -0.641 1.00 74.35 C ATOM 636 CE LYS X 469 13.692 -5.906 -2.161 1.00 63.33 C ATOM 637 NZ LYS X 469 14.881 -6.626 -2.694 1.00 50.11 N ATOM 0 H LYS X 469 17.252 -3.830 1.063 1.00 2.33 H new ATOM 0 HA LYS X 469 14.662 -2.948 1.849 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.965 -5.593 1.182 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.334 -5.556 1.824 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.923 -3.791 -0.103 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.358 -4.509 -0.806 1.00 65.33 H new ATOM 0 HD2 LYS X 469 14.086 -6.793 -0.246 1.00 74.35 H new ATOM 0 HD3 LYS X 469 12.671 -5.760 -0.278 1.00 74.35 H new ATOM 0 HE2 LYS X 469 12.784 -6.399 -2.507 1.00 63.33 H new ATOM 0 HE3 LYS X 469 13.674 -4.891 -2.558 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 14.842 -6.638 -3.733 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 15.748 -6.141 -2.385 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 14.885 -7.603 -2.336 1.00 50.11 H new ATOM 647 N SER X 470 16.408 -4.722 4.026 1.00 71.13 N ATOM 648 CA SER X 470 16.503 -5.079 5.437 1.00 51.22 C ATOM 649 C SER X 470 16.410 -3.838 6.319 1.00 51.22 C ATOM 650 O SER X 470 15.589 -3.773 7.234 1.00 14.32 O ATOM 651 CB SER X 470 17.816 -5.816 5.711 1.00 52.44 C ATOM 652 OG SER X 470 17.744 -6.552 6.920 1.00 5.24 O ATOM 0 H SER X 470 17.181 -5.060 3.452 1.00 71.13 H new ATOM 0 HA SER X 470 15.668 -5.737 5.677 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.038 -6.490 4.884 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.635 -5.099 5.766 1.00 52.44 H new ATOM 0 HG SER X 470 18.594 -7.015 7.072 1.00 5.24 H new ATOM 657 N ARG X 471 17.258 -2.854 6.037 1.00 75.24 N ATOM 658 CA ARG X 471 17.274 -1.614 6.804 1.00 11.02 C ATOM 659 C ARG X 471 15.945 -0.876 6.671 1.00 64.24 C ATOM 660 O ARG X 471 15.350 -0.465 7.666 1.00 23.30 O ATOM 661 CB ARG X 471 18.419 -0.715 6.337 1.00 3.34 C ATOM 662 CG ARG X 471 19.798 -1.294 6.609 1.00 74.42 C ATOM 663 CD ARG X 471 20.866 -0.601 5.776 1.00 11.42 C ATOM 664 NE ARG X 471 22.012 -1.471 5.522 1.00 42.13 N ATOM 665 CZ ARG X 471 22.991 -1.673 6.396 1.00 73.44 C ATOM 666 NH1 ARG X 471 22.964 -1.069 7.577 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.999 -2.479 6.092 1.00 13.40 N ATOM 0 H ARG X 471 17.943 -2.892 5.282 1.00 75.24 H new ATOM 0 HA ARG X 471 17.426 -1.867 7.853 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.315 -0.534 5.267 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.336 0.252 6.833 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.036 -1.190 7.668 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.796 -2.361 6.386 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.435 -0.282 4.827 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.201 0.299 6.292 1.00 11.42 H new ATOM 0 HE ARG X 471 22.063 -1.950 4.623 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.190 -0.448 7.815 1.00 54.24 H new ATOM 0 HH12 ARG X 471 23.717 -1.225 8.247 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.023 -2.945 5.185 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.750 -2.633 6.765 1.00 13.40 H new ATOM 678 N ALA X 472 15.488 -0.710 5.434 1.00 63.50 N ATOM 679 CA ALA X 472 14.230 -0.024 5.171 1.00 51.02 C ATOM 680 C ALA X 472 13.073 -0.696 5.901 1.00 14.44 C ATOM 681 O ALA X 472 12.149 -0.029 6.367 1.00 62.31 O ATOM 682 CB ALA X 472 13.957 0.022 3.675 1.00 12.21 C ATOM 0 H ALA X 472 15.971 -1.041 4.599 1.00 63.50 H new ATOM 0 HA ALA X 472 14.317 0.996 5.546 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.014 0.537 3.493 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.765 0.556 3.174 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.897 -0.994 3.285 1.00 12.21 H new ATOM 688 N ALA X 473 13.130 -2.020 5.999 1.00 33.12 N ATOM 689 CA ALA X 473 12.087 -2.782 6.675 1.00 5.31 C ATOM 690 C ALA X 473 12.089 -2.504 8.174 1.00 1.25 C ATOM 691 O ALA X 473 11.060 -2.154 8.752 1.00 50.13 O ATOM 692 CB ALA X 473 12.267 -4.270 6.411 1.00 61.31 C ATOM 0 H ALA X 473 13.888 -2.587 5.619 1.00 33.12 H new ATOM 0 HA ALA X 473 11.123 -2.467 6.275 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.482 -4.828 6.921 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.208 -4.459 5.339 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.240 -4.590 6.783 1.00 61.31 H new ATOM 698 N LYS X 474 13.250 -2.665 8.800 1.00 62.03 N ATOM 699 CA LYS X 474 13.387 -2.430 10.233 1.00 24.40 C ATOM 700 C LYS X 474 13.121 -0.967 10.573 1.00 54.40 C ATOM 701 O LYS X 474 12.545 -0.657 11.616 1.00 74.45 O ATOM 702 CB LYS X 474 14.787 -2.829 10.704 1.00 34.32 C ATOM 703 CG LYS X 474 15.903 -2.069 10.007 1.00 3.21 C ATOM 704 CD LYS X 474 17.268 -2.469 10.541 1.00 54.32 C ATOM 705 CE LYS X 474 17.976 -1.294 11.198 1.00 20.00 C ATOM 706 NZ LYS X 474 18.840 -1.731 12.330 1.00 3.13 N ATOM 0 H LYS X 474 14.111 -2.958 8.337 1.00 62.03 H new ATOM 0 HA LYS X 474 12.648 -3.044 10.749 1.00 24.40 H new ATOM 0 HB2 LYS X 474 14.861 -2.662 11.779 1.00 34.32 H new ATOM 0 HB3 LYS X 474 14.927 -3.897 10.537 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.860 -2.260 8.935 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.757 -0.998 10.146 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.155 -3.277 11.264 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.880 -2.854 9.726 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.583 -0.775 10.457 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.236 -0.580 11.560 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.305 -0.902 12.752 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 18.257 -2.204 13.049 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 19.562 -2.393 11.980 1.00 3.13 H new ATOM 716 N LEU X 475 13.544 -0.073 9.687 1.00 10.44 N ATOM 717 CA LEU X 475 13.350 1.359 9.892 1.00 74.31 C ATOM 718 C LEU X 475 11.868 1.720 9.844 1.00 24.12 C ATOM 719 O LEU X 475 11.356 2.400 10.734 1.00 74.13 O ATOM 720 CB LEU X 475 14.115 2.154 8.834 1.00 52.05 C ATOM 721 CG LEU X 475 14.564 3.557 9.242 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.559 4.115 8.237 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.364 4.483 9.376 1.00 53.02 C ATOM 0 H LEU X 475 14.024 -0.314 8.820 1.00 10.44 H new ATOM 0 HA LEU X 475 13.736 1.615 10.879 1.00 74.31 H new ATOM 0 HB2 LEU X 475 14.997 1.582 8.546 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.486 2.239 7.948 1.00 52.05 H new ATOM 0 HG LEU X 475 15.058 3.490 10.211 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.866 5.114 8.546 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.433 3.465 8.191 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.092 4.166 7.253 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.702 5.477 9.667 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.842 4.542 8.421 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.687 4.093 10.136 1.00 53.02 H new ATOM 734 N LEU X 476 11.186 1.259 8.802 1.00 14.12 N ATOM 735 CA LEU X 476 9.763 1.531 8.638 1.00 2.33 C ATOM 736 C LEU X 476 8.943 0.795 9.694 1.00 41.31 C ATOM 737 O LEU X 476 7.949 1.317 10.198 1.00 65.41 O ATOM 738 CB LEU X 476 9.302 1.120 7.240 1.00 21.22 C ATOM 739 CG LEU X 476 9.788 1.998 6.087 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.811 1.210 4.787 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.908 3.233 5.949 1.00 71.10 C ATOM 0 H LEU X 476 11.596 0.695 8.058 1.00 14.12 H new ATOM 0 HA LEU X 476 9.606 2.602 8.764 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.633 0.098 7.056 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.212 1.109 7.227 1.00 21.22 H new ATOM 0 HG LEU X 476 10.805 2.323 6.308 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.160 1.852 3.978 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.483 0.358 4.890 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.806 0.854 4.560 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.269 3.846 5.123 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.880 2.927 5.752 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.944 3.810 6.873 1.00 71.10 H new ATOM 752 N GLY X 477 9.369 -0.420 10.025 1.00 45.23 N ATOM 753 CA GLY X 477 8.664 -1.208 11.021 1.00 22.13 C ATOM 754 C GLY X 477 7.992 -2.429 10.424 1.00 61.31 C ATOM 755 O GLY X 477 7.070 -2.989 11.017 1.00 35.21 O ATOM 0 H GLY X 477 10.189 -0.873 9.622 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.366 -1.524 11.793 1.00 22.13 H new ATOM 0 HA3 GLY X 477 7.913 -0.585 11.508 1.00 22.13 H new ATOM 759 N TYR X 478 8.455 -2.841 9.249 1.00 41.35 N ATOM 760 CA TYR X 478 7.890 -4.001 8.570 1.00 51.13 C ATOM 761 C TYR X 478 8.941 -5.092 8.391 1.00 65.31 C ATOM 762 O TYR X 478 10.143 -4.832 8.461 1.00 40.51 O ATOM 763 CB TYR X 478 7.322 -3.596 7.209 1.00 71.43 C ATOM 764 CG TYR X 478 6.499 -2.328 7.251 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.597 -2.094 8.282 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.623 -1.363 6.258 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.843 -0.938 8.322 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.874 -0.203 6.291 1.00 51.13 C ATOM 769 CZ TYR X 478 4.986 0.005 7.325 1.00 63.32 C ATOM 770 OH TYR X 478 4.237 1.159 7.362 1.00 43.33 O ATOM 0 H TYR X 478 9.220 -2.389 8.747 1.00 41.35 H new ATOM 0 HA TYR X 478 7.084 -4.396 9.189 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.144 -3.463 6.506 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.704 -4.408 6.826 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.484 -2.829 9.065 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.317 -1.523 5.446 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.145 -0.773 9.129 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.983 0.537 5.512 1.00 51.13 H new ATOM 0 HH TYR X 478 4.458 1.718 6.588 1.00 43.33 H new ATOM 779 N THR X 479 8.479 -6.317 8.156 1.00 31.11 N ATOM 780 CA THR X 479 9.378 -7.449 7.966 1.00 32.34 C ATOM 781 C THR X 479 9.774 -7.596 6.503 1.00 71.23 C ATOM 782 O THR X 479 9.156 -7.002 5.618 1.00 3.54 O ATOM 783 CB THR X 479 8.735 -8.763 8.448 1.00 31.32 C ATOM 784 OG1 THR X 479 9.639 -9.854 8.244 1.00 41.35 O ATOM 785 CG2 THR X 479 7.434 -9.032 7.707 1.00 33.32 C ATOM 0 H THR X 479 7.488 -6.550 8.093 1.00 31.11 H new ATOM 0 HA THR X 479 10.269 -7.250 8.562 1.00 32.34 H new ATOM 0 HB THR X 479 8.516 -8.666 9.511 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.224 -10.686 8.555 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.998 -9.965 8.064 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.737 -8.214 7.887 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.633 -9.110 6.638 1.00 33.32 H new ATOM 793 N LEU X 480 10.808 -8.391 6.252 1.00 51.22 N ATOM 794 CA LEU X 480 11.289 -8.618 4.893 1.00 73.24 C ATOM 795 C LEU X 480 10.141 -9.016 3.970 1.00 73.11 C ATOM 796 O LEU X 480 10.105 -8.624 2.803 1.00 12.40 O ATOM 797 CB LEU X 480 12.365 -9.705 4.885 1.00 54.35 C ATOM 798 CG LEU X 480 13.028 -9.983 3.536 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.451 -10.479 3.733 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.214 -10.994 2.740 1.00 24.30 C ATOM 0 H LEU X 480 11.330 -8.890 6.972 1.00 51.22 H new ATOM 0 HA LEU X 480 11.721 -7.687 4.527 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.141 -9.425 5.598 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.919 -10.632 5.246 1.00 54.35 H new ATOM 0 HG LEU X 480 13.065 -9.051 2.972 1.00 42.31 H new ATOM 0 HD11 LEU X 480 14.907 -10.672 2.762 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.030 -9.722 4.262 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.438 -11.399 4.317 1.00 10.34 H new ATOM 0 HD21 LEU X 480 12.701 -11.180 1.783 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.145 -11.927 3.299 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.213 -10.600 2.567 1.00 24.30 H new ATOM 811 N ARG X 481 9.205 -9.796 4.501 1.00 60.01 N ATOM 812 CA ARG X 481 8.054 -10.245 3.725 1.00 5.23 C ATOM 813 C ARG X 481 7.156 -9.069 3.353 1.00 63.40 C ATOM 814 O ARG X 481 6.803 -8.891 2.189 1.00 34.21 O ATOM 815 CB ARG X 481 7.255 -11.283 4.515 1.00 22.32 C ATOM 816 CG ARG X 481 6.276 -12.075 3.662 1.00 15.42 C ATOM 817 CD ARG X 481 5.706 -13.261 4.424 1.00 33.20 C ATOM 818 NE ARG X 481 4.462 -13.745 3.832 1.00 11.02 N ATOM 819 CZ ARG X 481 4.413 -14.479 2.725 1.00 23.35 C ATOM 820 NH1 ARG X 481 5.531 -14.812 2.095 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.242 -14.883 2.248 1.00 54.34 N ATOM 0 H ARG X 481 9.221 -10.130 5.465 1.00 60.01 H new ATOM 0 HA ARG X 481 8.422 -10.702 2.806 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.948 -11.974 4.995 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.706 -10.779 5.310 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.464 -11.424 3.339 1.00 15.42 H new ATOM 0 HG3 ARG X 481 6.779 -12.427 2.761 1.00 15.42 H new ATOM 0 HD2 ARG X 481 6.438 -14.068 4.439 1.00 33.20 H new ATOM 0 HD3 ARG X 481 5.527 -12.974 5.460 1.00 33.20 H new ATOM 0 HE ARG X 481 3.584 -13.507 4.293 1.00 11.02 H new ATOM 0 HH11 ARG X 481 6.433 -14.505 2.460 1.00 64.23 H new ATOM 0 HH12 ARG X 481 5.489 -15.375 1.246 1.00 64.23 H new ATOM 0 HH21 ARG X 481 2.380 -14.630 2.731 1.00 54.34 H new ATOM 0 HH22 ARG X 481 3.204 -15.446 1.398 1.00 54.34 H new ATOM 832 N GLN X 482 6.790 -8.273 4.352 1.00 43.45 N ATOM 833 CA GLN X 482 5.931 -7.115 4.130 1.00 74.43 C ATOM 834 C GLN X 482 6.588 -6.126 3.173 1.00 15.22 C ATOM 835 O GLN X 482 6.006 -5.752 2.154 1.00 24.12 O ATOM 836 CB GLN X 482 5.615 -6.425 5.458 1.00 61.30 C ATOM 837 CG GLN X 482 4.667 -7.217 6.345 1.00 11.44 C ATOM 838 CD GLN X 482 3.423 -7.674 5.606 1.00 11.30 C ATOM 839 OE1 GLN X 482 2.588 -6.861 5.211 1.00 73.12 O ATOM 840 NE2 GLN X 482 3.296 -8.983 5.418 1.00 62.51 N ATOM 0 H GLN X 482 7.074 -8.408 5.322 1.00 43.45 H new ATOM 0 HA GLN X 482 5.001 -7.465 3.681 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.546 -6.252 5.998 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.178 -5.447 5.255 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.189 -8.087 6.743 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.374 -6.603 7.197 1.00 11.44 H new ATOM 0 HE21 GLN X 482 4.014 -9.620 5.763 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.480 -9.351 4.928 1.00 62.51 H new ATOM 847 N LEU X 483 7.802 -5.705 3.507 1.00 30.43 N ATOM 848 CA LEU X 483 8.539 -4.758 2.677 1.00 23.25 C ATOM 849 C LEU X 483 8.633 -5.253 1.238 1.00 43.34 C ATOM 850 O LEU X 483 8.294 -4.532 0.299 1.00 12.42 O ATOM 851 CB LEU X 483 9.942 -4.537 3.245 1.00 32.11 C ATOM 852 CG LEU X 483 10.693 -3.312 2.720 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.523 -2.136 3.670 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.167 -3.634 2.525 1.00 65.25 C ATOM 0 H LEU X 483 8.298 -6.004 4.347 1.00 30.43 H new ATOM 0 HA LEU X 483 7.998 -3.812 2.681 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.865 -4.454 4.329 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.541 -5.423 3.035 1.00 32.11 H new ATOM 0 HG LEU X 483 10.271 -3.036 1.753 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.064 -1.273 3.281 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.465 -1.891 3.760 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.919 -2.400 4.651 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.686 -2.751 2.151 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.603 -3.935 3.478 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.270 -4.447 1.806 1.00 65.25 H new ATOM 865 N ASP X 484 9.093 -6.488 1.071 1.00 4.40 N ATOM 866 CA ASP X 484 9.228 -7.082 -0.254 1.00 74.33 C ATOM 867 C ASP X 484 7.911 -7.004 -1.021 1.00 23.13 C ATOM 868 O ASP X 484 7.886 -6.634 -2.194 1.00 2.41 O ATOM 869 CB ASP X 484 9.681 -8.539 -0.141 1.00 53.22 C ATOM 870 CG ASP X 484 9.998 -9.153 -1.490 1.00 43.05 C ATOM 871 OD1 ASP X 484 11.062 -8.824 -2.055 1.00 13.14 O ATOM 872 OD2 ASP X 484 9.184 -9.963 -1.978 1.00 12.45 O ATOM 0 H ASP X 484 9.379 -7.098 1.837 1.00 4.40 H new ATOM 0 HA ASP X 484 9.982 -6.517 -0.803 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.564 -8.594 0.496 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.900 -9.123 0.346 1.00 53.22 H new ATOM 876 N TYR X 485 6.820 -7.356 -0.350 1.00 62.24 N ATOM 877 CA TYR X 485 5.500 -7.329 -0.969 1.00 54.52 C ATOM 878 C TYR X 485 5.157 -5.926 -1.460 1.00 35.33 C ATOM 879 O TYR X 485 4.509 -5.760 -2.495 1.00 43.32 O ATOM 880 CB TYR X 485 4.439 -7.808 0.022 1.00 42.42 C ATOM 881 CG TYR X 485 3.238 -8.448 -0.638 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.361 -9.631 -1.355 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.979 -7.867 -0.544 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.267 -10.217 -1.960 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.878 -8.447 -1.145 1.00 35.54 C ATOM 886 CZ TYR X 485 1.027 -9.622 -1.852 1.00 72.11 C ATOM 887 OH TYR X 485 -0.065 -10.203 -2.453 1.00 32.54 O ATOM 0 H TYR X 485 6.824 -7.663 0.623 1.00 62.24 H new ATOM 0 HA TYR X 485 5.516 -8.001 -1.827 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.891 -8.525 0.707 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.105 -6.961 0.621 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.330 -10.101 -1.441 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.859 -6.947 0.008 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.381 -11.136 -2.515 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.094 -7.983 -1.062 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.862 -9.659 -2.280 1.00 32.54 H new ATOM 896 N ARG X 486 5.597 -4.921 -0.712 1.00 30.20 N ATOM 897 CA ARG X 486 5.338 -3.531 -1.069 1.00 23.23 C ATOM 898 C ARG X 486 6.191 -3.108 -2.261 1.00 23.24 C ATOM 899 O ARG X 486 5.732 -2.373 -3.137 1.00 73.10 O ATOM 900 CB ARG X 486 5.617 -2.614 0.123 1.00 32.34 C ATOM 901 CG ARG X 486 4.403 -2.377 1.007 1.00 43.42 C ATOM 902 CD ARG X 486 4.328 -3.395 2.135 1.00 11.40 C ATOM 903 NE ARG X 486 3.202 -3.139 3.028 1.00 15.11 N ATOM 904 CZ ARG X 486 1.948 -3.472 2.743 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.662 -4.071 1.596 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.977 -3.206 3.609 1.00 1.14 N ATOM 0 H ARG X 486 6.135 -5.043 0.146 1.00 30.20 H new ATOM 0 HA ARG X 486 4.288 -3.444 -1.346 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.415 -3.048 0.725 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.981 -1.655 -0.245 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.447 -1.371 1.425 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.496 -2.432 0.404 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.237 -4.396 1.714 1.00 11.40 H new ATOM 0 HD3 ARG X 486 5.256 -3.373 2.706 1.00 11.40 H new ATOM 0 HE ARG X 486 3.388 -2.679 3.919 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.406 -4.278 0.929 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.698 -4.325 1.380 1.00 34.32 H new ATOM 0 HH21 ARG X 486 1.194 -2.746 4.493 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.014 -3.462 3.390 1.00 1.14 H new ATOM 917 N ILE X 487 7.434 -3.575 -2.288 1.00 12.05 N ATOM 918 CA ILE X 487 8.351 -3.245 -3.372 1.00 10.12 C ATOM 919 C ILE X 487 7.852 -3.800 -4.702 1.00 62.30 C ATOM 920 O ILE X 487 7.941 -3.138 -5.736 1.00 15.43 O ATOM 921 CB ILE X 487 9.765 -3.792 -3.099 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.349 -3.149 -1.839 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.670 -3.540 -4.297 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.377 -1.638 -1.888 1.00 35.13 C ATOM 0 H ILE X 487 7.830 -4.183 -1.571 1.00 12.05 H new ATOM 0 HA ILE X 487 8.395 -2.157 -3.428 1.00 10.12 H new ATOM 0 HB ILE X 487 9.698 -4.868 -2.938 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.764 -3.465 -0.975 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.364 -3.518 -1.690 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.666 -3.932 -4.090 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.259 -4.039 -5.175 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.734 -2.468 -4.486 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.803 -1.252 -0.962 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.986 -1.313 -2.731 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.362 -1.259 -2.006 1.00 35.13 H new ATOM 935 N LYS X 488 7.323 -5.018 -4.668 1.00 1.41 N ATOM 936 CA LYS X 488 6.806 -5.662 -5.869 1.00 43.53 C ATOM 937 C LYS X 488 5.479 -5.040 -6.292 1.00 53.44 C ATOM 938 O LYS X 488 5.227 -4.836 -7.479 1.00 72.22 O ATOM 939 CB LYS X 488 6.625 -7.163 -5.630 1.00 2.51 C ATOM 940 CG LYS X 488 5.704 -7.486 -4.466 1.00 3.34 C ATOM 941 CD LYS X 488 5.604 -8.984 -4.233 1.00 3.43 C ATOM 942 CE LYS X 488 4.974 -9.691 -5.425 1.00 41.43 C ATOM 943 NZ LYS X 488 4.371 -10.996 -5.039 1.00 22.33 N ATOM 0 H LYS X 488 7.241 -5.580 -3.820 1.00 1.41 H new ATOM 0 HA LYS X 488 7.529 -5.512 -6.671 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.227 -7.621 -6.535 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.600 -7.614 -5.447 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.074 -7.000 -3.563 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.712 -7.080 -4.663 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.598 -9.392 -4.050 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.011 -9.176 -3.339 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.207 -9.052 -5.863 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.731 -9.853 -6.193 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.952 -11.447 -5.878 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 5.107 -11.615 -4.644 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.631 -10.839 -4.325 1.00 22.33 H new ATOM 953 N LYS X 489 4.634 -4.737 -5.312 1.00 24.34 N ATOM 954 CA LYS X 489 3.334 -4.135 -5.581 1.00 21.32 C ATOM 955 C LYS X 489 3.492 -2.711 -6.105 1.00 63.33 C ATOM 956 O LYS X 489 2.839 -2.320 -7.073 1.00 53.33 O ATOM 957 CB LYS X 489 2.478 -4.131 -4.312 1.00 54.52 C ATOM 958 CG LYS X 489 1.452 -5.250 -4.267 1.00 54.51 C ATOM 959 CD LYS X 489 2.116 -6.617 -4.313 1.00 14.12 C ATOM 960 CE LYS X 489 1.095 -7.724 -4.529 1.00 62.31 C ATOM 961 NZ LYS X 489 1.749 -9.033 -4.807 1.00 3.10 N ATOM 0 H LYS X 489 4.827 -4.899 -4.324 1.00 24.34 H new ATOM 0 HA LYS X 489 2.836 -4.732 -6.345 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.131 -4.213 -3.443 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.963 -3.174 -4.234 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.857 -5.164 -3.358 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.765 -5.149 -5.107 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.853 -6.638 -5.116 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.654 -6.793 -3.382 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.464 -7.814 -3.645 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.443 -7.460 -5.361 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 1.038 -9.711 -5.147 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.482 -8.907 -5.534 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 2.185 -9.396 -3.935 1.00 3.10 H new ATOM 971 N TYR X 490 4.362 -1.942 -5.461 1.00 63.10 N ATOM 972 CA TYR X 490 4.606 -0.561 -5.861 1.00 65.13 C ATOM 973 C TYR X 490 5.684 -0.488 -6.937 1.00 43.30 C ATOM 974 O TYR X 490 5.985 0.585 -7.458 1.00 45.35 O ATOM 975 CB TYR X 490 5.017 0.278 -4.651 1.00 31.24 C ATOM 976 CG TYR X 490 3.955 0.356 -3.578 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.683 0.837 -3.866 1.00 32.02 C ATOM 978 CD2 TYR X 490 4.222 -0.051 -2.277 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.710 0.909 -2.889 1.00 71.23 C ATOM 980 CE2 TYR X 490 3.255 0.017 -1.294 1.00 30.22 C ATOM 981 CZ TYR X 490 1.999 0.499 -1.604 1.00 51.31 C ATOM 982 OH TYR X 490 1.034 0.570 -0.627 1.00 54.23 O ATOM 0 H TYR X 490 4.911 -2.252 -4.659 1.00 63.10 H new ATOM 0 HA TYR X 490 3.680 -0.160 -6.273 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.926 -0.142 -4.220 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.259 1.287 -4.985 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.452 1.160 -4.870 1.00 32.02 H new ATOM 0 HD2 TYR X 490 5.204 -0.427 -2.030 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.727 1.285 -3.130 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.480 -0.305 -0.288 1.00 30.22 H new ATOM 0 HH TYR X 490 0.863 -0.327 -0.270 1.00 54.23 H new ATOM 991 N GLY X 491 6.265 -1.639 -7.264 1.00 12.33 N ATOM 992 CA GLY X 491 7.304 -1.685 -8.276 1.00 73.13 C ATOM 993 C GLY X 491 8.408 -0.678 -8.019 1.00 70.25 C ATOM 994 O GLY X 491 8.857 0.009 -8.937 1.00 25.21 O ATOM 0 H GLY X 491 6.034 -2.540 -6.846 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.731 -2.687 -8.309 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.863 -1.494 -9.254 1.00 73.13 H new ATOM 998 N ILE X 492 8.845 -0.589 -6.767 1.00 33.34 N ATOM 999 CA ILE X 492 9.902 0.342 -6.394 1.00 12.35 C ATOM 1000 C ILE X 492 11.276 -0.210 -6.760 1.00 73.33 C ATOM 1001 O ILE X 492 11.490 -1.422 -6.754 1.00 45.43 O ATOM 1002 CB ILE X 492 9.872 0.652 -4.885 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.433 0.873 -4.417 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.728 1.871 -4.577 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.314 1.142 -2.933 1.00 21.21 C ATOM 0 H ILE X 492 8.484 -1.150 -5.995 1.00 33.34 H new ATOM 0 HA ILE X 492 9.723 1.262 -6.950 1.00 12.35 H new ATOM 0 HB ILE X 492 10.283 -0.201 -4.346 1.00 22.54 H new ATOM 0 HG12 ILE X 492 8.006 1.713 -4.965 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.839 -0.006 -4.667 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.696 2.077 -3.507 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.757 1.678 -4.879 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.344 2.732 -5.124 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.266 1.289 -2.673 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.710 0.293 -2.376 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.880 2.038 -2.679 1.00 21.21 H new ATOM 1016 N GLU X 493 12.204 0.688 -7.076 1.00 41.10 N ATOM 1017 CA GLU X 493 13.557 0.290 -7.445 1.00 52.04 C ATOM 1018 C GLU X 493 14.499 0.394 -6.249 1.00 43.33 C ATOM 1019 O GLU X 493 14.151 0.971 -5.217 1.00 63.45 O ATOM 1020 CB GLU X 493 14.074 1.160 -8.592 1.00 63.11 C ATOM 1021 CG GLU X 493 13.175 1.151 -9.816 1.00 11.52 C ATOM 1022 CD GLU X 493 13.339 2.393 -10.670 1.00 74.15 C ATOM 1023 OE1 GLU X 493 14.363 2.494 -11.379 1.00 62.13 O ATOM 1024 OE2 GLU X 493 12.443 3.262 -10.631 1.00 70.23 O ATOM 0 H GLU X 493 12.043 1.695 -7.084 1.00 41.10 H new ATOM 0 HA GLU X 493 13.526 -0.749 -7.773 1.00 52.04 H new ATOM 0 HB2 GLU X 493 14.182 2.185 -8.239 1.00 63.11 H new ATOM 0 HB3 GLU X 493 15.067 0.815 -8.879 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.396 0.269 -10.418 1.00 11.52 H new ATOM 0 HG3 GLU X 493 12.136 1.068 -9.498 1.00 11.52 H new