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 488 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: X 489 LYS NZ :NH3+ -166:sc=-0.00631 (180deg=-0.331) USER MOD Single : X 455 LYS NZ :NH3+ 164:sc= -0.85 (180deg=-1.18) USER MOD Single : X 456 LYS NZ :NH3+ -164:sc= -0.0221 (180deg=-0.263) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 16:sc= 0.362 USER MOD Single : X 467 TYR OH : rot 33:sc= 1.27 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= -0.304 USER MOD Single : X 482 GLN : amide:sc= -0.464 K(o=-0.46,f=-1) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 490 TYR OH : rot 134:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.088 4.986 1.446 1.00 61.44 N ATOM 395 CA GLU X 454 2.745 3.694 1.606 1.00 4.33 C ATOM 396 C GLU X 454 3.967 3.589 0.699 1.00 54.22 C ATOM 397 O GLU X 454 5.056 3.226 1.144 1.00 33.03 O ATOM 398 CB GLU X 454 1.768 2.558 1.298 1.00 4.25 C ATOM 399 CG GLU X 454 2.364 1.174 1.490 1.00 54.45 C ATOM 400 CD GLU X 454 2.520 0.804 2.953 1.00 73.14 C ATOM 401 OE1 GLU X 454 1.568 0.233 3.525 1.00 32.21 O ATOM 402 OE2 GLU X 454 3.594 1.086 3.525 1.00 25.31 O ATOM 0 HA GLU X 454 3.074 3.609 2.642 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.892 2.659 1.939 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.423 2.656 0.269 1.00 4.25 H new ATOM 0 HG2 GLU X 454 1.728 0.437 0.999 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.338 1.131 1.002 1.00 54.45 H new ATOM 407 N LYS X 455 3.778 3.909 -0.577 1.00 25.33 N ATOM 408 CA LYS X 455 4.863 3.851 -1.550 1.00 0.54 C ATOM 409 C LYS X 455 5.951 4.865 -1.211 1.00 62.42 C ATOM 410 O LYS X 455 7.142 4.558 -1.270 1.00 21.12 O ATOM 411 CB LYS X 455 4.327 4.114 -2.959 1.00 34.23 C ATOM 412 CG LYS X 455 5.389 4.019 -4.041 1.00 13.52 C ATOM 413 CD LYS X 455 5.726 5.386 -4.612 1.00 51.32 C ATOM 414 CE LYS X 455 6.970 5.971 -3.962 1.00 3.43 C ATOM 415 NZ LYS X 455 7.804 6.724 -4.939 1.00 10.05 N ATOM 0 H LYS X 455 2.883 4.211 -0.962 1.00 25.33 H new ATOM 0 HA LYS X 455 5.297 2.852 -1.514 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.534 3.399 -3.176 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.878 5.107 -2.988 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.290 3.563 -3.629 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.038 3.366 -4.840 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.881 5.304 -5.688 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.884 6.062 -4.462 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.677 6.634 -3.148 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.562 5.168 -3.522 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.481 7.325 -4.427 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.323 6.054 -5.542 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.191 7.320 -5.532 1.00 10.05 H new ATOM 425 N LYS X 456 5.535 6.076 -0.854 1.00 23.55 N ATOM 426 CA LYS X 456 6.473 7.136 -0.503 1.00 51.54 C ATOM 427 C LYS X 456 7.286 6.755 0.730 1.00 23.14 C ATOM 428 O LYS X 456 8.480 7.048 0.812 1.00 54.11 O ATOM 429 CB LYS X 456 5.722 8.444 -0.247 1.00 65.35 C ATOM 430 CG LYS X 456 5.311 9.168 -1.518 1.00 12.34 C ATOM 431 CD LYS X 456 4.513 10.425 -1.210 1.00 41.13 C ATOM 432 CE LYS X 456 4.218 11.219 -2.473 1.00 35.30 C ATOM 433 NZ LYS X 456 5.461 11.754 -3.094 1.00 61.51 N ATOM 0 H LYS X 456 4.553 6.348 -0.800 1.00 23.55 H new ATOM 0 HA LYS X 456 7.157 7.275 -1.340 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.831 8.232 0.345 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.352 9.104 0.350 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.200 9.431 -2.092 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.715 8.501 -2.141 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.577 10.153 -0.723 1.00 41.13 H new ATOM 0 HD3 LYS X 456 5.068 11.048 -0.509 1.00 41.13 H new ATOM 0 HE2 LYS X 456 3.699 10.582 -3.189 1.00 35.30 H new ATOM 0 HE3 LYS X 456 3.547 12.044 -2.235 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.215 12.499 -3.777 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 6.075 12.152 -2.355 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 5.962 10.986 -3.584 1.00 61.51 H new ATOM 443 N ARG X 457 6.636 6.099 1.684 1.00 71.11 N ATOM 444 CA ARG X 457 7.300 5.679 2.912 1.00 35.12 C ATOM 445 C ARG X 457 8.350 4.610 2.623 1.00 55.14 C ATOM 446 O ARG X 457 9.496 4.719 3.061 1.00 20.31 O ATOM 447 CB ARG X 457 6.275 5.143 3.914 1.00 21.50 C ATOM 448 CG ARG X 457 5.785 6.189 4.902 1.00 50.23 C ATOM 449 CD ARG X 457 6.345 5.947 6.294 1.00 12.04 C ATOM 450 NE ARG X 457 5.442 6.422 7.338 1.00 20.01 N ATOM 451 CZ ARG X 457 5.674 6.269 8.638 1.00 74.42 C ATOM 452 NH1 ARG X 457 6.776 5.656 9.049 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.804 6.728 9.528 1.00 51.31 N ATOM 0 H ARG X 457 5.649 5.846 1.631 1.00 71.11 H new ATOM 0 HA ARG X 457 7.798 6.548 3.342 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.421 4.743 3.368 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.718 4.314 4.466 1.00 21.50 H new ATOM 0 HG2 ARG X 457 6.078 7.181 4.558 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.696 6.174 4.939 1.00 50.23 H new ATOM 0 HD2 ARG X 457 6.528 4.881 6.431 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.307 6.451 6.390 1.00 12.04 H new ATOM 0 HE ARG X 457 4.585 6.898 7.054 1.00 20.01 H new ATOM 0 HH11 ARG X 457 7.447 5.301 8.367 1.00 71.32 H new ATOM 0 HH12 ARG X 457 6.953 5.539 10.047 1.00 71.32 H new ATOM 0 HH21 ARG X 457 3.955 7.199 9.215 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.984 6.610 10.525 1.00 51.31 H new ATOM 464 N ILE X 458 7.951 3.581 1.885 1.00 20.05 N ATOM 465 CA ILE X 458 8.859 2.494 1.538 1.00 63.42 C ATOM 466 C ILE X 458 10.078 3.015 0.785 1.00 45.00 C ATOM 467 O ILE X 458 11.217 2.774 1.185 1.00 10.42 O ATOM 468 CB ILE X 458 8.156 1.427 0.678 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.005 0.789 1.458 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.152 0.367 0.231 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.462 -0.167 2.537 1.00 74.53 C ATOM 0 H ILE X 458 7.006 3.476 1.516 1.00 20.05 H new ATOM 0 HA ILE X 458 9.181 2.040 2.475 1.00 63.42 H new ATOM 0 HB ILE X 458 7.745 1.909 -0.209 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.405 1.577 1.913 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.357 0.256 0.762 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.640 -0.380 -0.376 1.00 21.14 H new ATOM 0 HG22 ILE X 458 9.941 0.834 -0.358 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.589 -0.114 1.106 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.593 -0.581 3.048 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.037 -0.976 2.087 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.086 0.366 3.255 1.00 74.53 H new ATOM 482 N ILE X 459 9.831 3.732 -0.307 1.00 30.41 N ATOM 483 CA ILE X 459 10.909 4.289 -1.114 1.00 14.13 C ATOM 484 C ILE X 459 11.768 5.249 -0.297 1.00 54.12 C ATOM 485 O ILE X 459 12.984 5.307 -0.468 1.00 73.32 O ATOM 486 CB ILE X 459 10.362 5.032 -2.348 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.500 5.370 -3.313 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.627 6.294 -1.924 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.135 5.181 -4.768 1.00 14.20 C ATOM 0 H ILE X 459 8.894 3.940 -0.652 1.00 30.41 H new ATOM 0 HA ILE X 459 11.521 3.450 -1.446 1.00 14.13 H new ATOM 0 HB ILE X 459 9.656 4.380 -2.863 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.804 6.405 -3.155 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.362 4.745 -3.079 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.247 6.808 -2.807 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.795 6.029 -1.272 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.312 6.952 -1.389 1.00 60.12 H new ATOM 0 HD11 ILE X 459 11.989 5.439 -5.394 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.859 4.141 -4.942 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.293 5.826 -5.019 1.00 14.20 H new ATOM 500 N GLU X 460 11.125 5.999 0.592 1.00 70.03 N ATOM 501 CA GLU X 460 11.831 6.956 1.437 1.00 55.24 C ATOM 502 C GLU X 460 12.827 6.245 2.347 1.00 12.02 C ATOM 503 O GLU X 460 14.000 6.611 2.406 1.00 12.20 O ATOM 504 CB GLU X 460 10.836 7.758 2.278 1.00 64.30 C ATOM 505 CG GLU X 460 11.494 8.617 3.345 1.00 23.33 C ATOM 506 CD GLU X 460 10.614 9.767 3.793 1.00 20.45 C ATOM 507 OE1 GLU X 460 10.129 10.518 2.920 1.00 44.32 O ATOM 508 OE2 GLU X 460 10.410 9.917 5.015 1.00 74.02 O ATOM 0 H GLU X 460 10.117 5.963 0.746 1.00 70.03 H new ATOM 0 HA GLU X 460 12.381 7.639 0.789 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.249 8.398 1.619 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.140 7.069 2.756 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.739 7.995 4.206 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.434 9.012 2.959 1.00 23.33 H new ATOM 513 N ALA X 461 12.350 5.227 3.057 1.00 23.10 N ATOM 514 CA ALA X 461 13.199 4.464 3.963 1.00 30.24 C ATOM 515 C ALA X 461 14.361 3.819 3.216 1.00 45.21 C ATOM 516 O ALA X 461 15.505 3.867 3.668 1.00 60.24 O ATOM 517 CB ALA X 461 12.380 3.403 4.685 1.00 43.23 C ATOM 0 H ALA X 461 11.380 4.912 3.022 1.00 23.10 H new ATOM 0 HA ALA X 461 13.613 5.153 4.699 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.026 2.840 5.359 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.588 3.883 5.259 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.939 2.725 3.955 1.00 43.23 H new ATOM 523 N LEU X 462 14.060 3.216 2.071 1.00 41.14 N ATOM 524 CA LEU X 462 15.080 2.560 1.261 1.00 32.12 C ATOM 525 C LEU X 462 16.186 3.540 0.880 1.00 23.05 C ATOM 526 O LEU X 462 17.363 3.292 1.137 1.00 51.52 O ATOM 527 CB LEU X 462 14.452 1.966 -0.002 1.00 22.31 C ATOM 528 CG LEU X 462 13.862 0.562 0.140 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.909 0.266 -1.008 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.972 -0.479 0.196 1.00 72.43 C ATOM 0 H LEU X 462 13.118 3.168 1.683 1.00 41.14 H new ATOM 0 HA LEU X 462 15.519 1.757 1.853 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.664 2.637 -0.342 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.210 1.943 -0.785 1.00 22.31 H new ATOM 0 HG LEU X 462 13.300 0.516 1.073 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.499 -0.737 -0.891 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.097 0.993 -1.003 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.448 0.329 -1.954 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.535 -1.472 0.297 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.560 -0.433 -0.720 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.617 -0.278 1.052 1.00 72.43 H new ATOM 541 N GLU X 463 15.797 4.654 0.267 1.00 4.01 N ATOM 542 CA GLU X 463 16.756 5.672 -0.147 1.00 14.12 C ATOM 543 C GLU X 463 17.589 6.148 1.039 1.00 33.23 C ATOM 544 O GLU X 463 18.799 6.346 0.922 1.00 3.32 O ATOM 545 CB GLU X 463 16.030 6.858 -0.784 1.00 41.55 C ATOM 546 CG GLU X 463 15.162 6.476 -1.972 1.00 22.34 C ATOM 547 CD GLU X 463 15.630 7.113 -3.265 1.00 10.40 C ATOM 548 OE1 GLU X 463 16.781 6.855 -3.673 1.00 21.41 O ATOM 549 OE2 GLU X 463 14.843 7.871 -3.870 1.00 1.41 O ATOM 0 H GLU X 463 14.826 4.874 0.046 1.00 4.01 H new ATOM 0 HA GLU X 463 17.425 5.227 -0.883 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.407 7.339 -0.030 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.767 7.594 -1.105 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.163 5.392 -2.084 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.132 6.775 -1.776 1.00 22.34 H new ATOM 554 N LYS X 464 16.935 6.332 2.179 1.00 23.51 N ATOM 555 CA LYS X 464 17.613 6.785 3.388 1.00 44.12 C ATOM 556 C LYS X 464 18.524 5.695 3.941 1.00 71.21 C ATOM 557 O LYS X 464 19.500 5.978 4.637 1.00 34.14 O ATOM 558 CB LYS X 464 16.590 7.196 4.449 1.00 41.33 C ATOM 559 CG LYS X 464 16.127 8.637 4.322 1.00 1.43 C ATOM 560 CD LYS X 464 14.725 8.824 4.879 1.00 74.45 C ATOM 561 CE LYS X 464 14.235 10.251 4.685 1.00 13.32 C ATOM 562 NZ LYS X 464 14.827 11.182 5.685 1.00 54.43 N ATOM 0 H LYS X 464 15.934 6.174 2.292 1.00 23.51 H new ATOM 0 HA LYS X 464 18.225 7.649 3.129 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.724 6.538 4.381 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.025 7.049 5.437 1.00 41.33 H new ATOM 0 HG2 LYS X 464 16.820 9.291 4.852 1.00 1.43 H new ATOM 0 HG3 LYS X 464 16.146 8.935 3.274 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.041 8.133 4.386 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.718 8.577 5.941 1.00 74.45 H new ATOM 0 HE2 LYS X 464 14.489 10.588 3.680 1.00 13.32 H new ATOM 0 HE3 LYS X 464 13.148 10.276 4.765 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.468 12.144 5.519 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 14.564 10.875 6.643 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 15.863 11.178 5.592 1.00 54.43 H new ATOM 572 N THR X 465 18.202 4.443 3.627 1.00 13.11 N ATOM 573 CA THR X 465 18.992 3.310 4.092 1.00 52.11 C ATOM 574 C THR X 465 20.049 2.919 3.067 1.00 75.51 C ATOM 575 O THR X 465 20.847 2.011 3.298 1.00 65.34 O ATOM 576 CB THR X 465 18.101 2.088 4.385 1.00 42.21 C ATOM 577 OG1 THR X 465 17.352 1.736 3.217 1.00 52.14 O ATOM 578 CG2 THR X 465 17.149 2.375 5.536 1.00 61.42 C ATOM 0 H THR X 465 17.399 4.189 3.052 1.00 13.11 H new ATOM 0 HA THR X 465 19.482 3.623 5.014 1.00 52.11 H new ATOM 0 HB THR X 465 18.746 1.256 4.667 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.750 2.166 2.431 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.530 1.497 5.724 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.723 2.613 6.432 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.511 3.220 5.278 1.00 61.42 H new ATOM 586 N GLY X 466 20.053 3.613 1.932 1.00 31.45 N ATOM 587 CA GLY X 466 21.019 3.324 0.888 1.00 73.12 C ATOM 588 C GLY X 466 20.579 2.184 -0.009 1.00 2.02 C ATOM 589 O GLY X 466 21.391 1.350 -0.409 1.00 72.31 O ATOM 0 H GLY X 466 19.404 4.370 1.717 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.175 4.218 0.284 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.978 3.075 1.343 1.00 73.12 H new ATOM 593 N TYR X 467 19.290 2.147 -0.326 1.00 22.12 N ATOM 594 CA TYR X 467 18.743 1.099 -1.179 1.00 42.34 C ATOM 595 C TYR X 467 18.947 -0.277 -0.551 1.00 41.45 C ATOM 596 O TYR X 467 19.522 -1.174 -1.166 1.00 0.12 O ATOM 597 CB TYR X 467 19.396 1.143 -2.561 1.00 12.11 C ATOM 598 CG TYR X 467 19.255 2.478 -3.255 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.001 3.002 -3.550 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.375 3.218 -3.616 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.868 4.222 -4.185 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.251 4.439 -4.249 1.00 24.43 C ATOM 603 CZ TYR X 467 18.996 4.936 -4.533 1.00 42.32 C ATOM 604 OH TYR X 467 18.866 6.152 -5.164 1.00 45.41 O ATOM 0 H TYR X 467 18.604 2.831 -0.005 1.00 22.12 H new ATOM 0 HA TYR X 467 17.673 1.275 -1.285 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.455 0.905 -2.461 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.953 0.369 -3.188 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.116 2.446 -3.278 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.359 2.831 -3.398 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.887 4.614 -4.408 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.132 5.002 -4.520 1.00 24.43 H new ATOM 0 HH TYR X 467 18.055 6.601 -4.846 1.00 45.41 H new ATOM 613 N VAL X 468 18.470 -0.434 0.680 1.00 21.22 N ATOM 614 CA VAL X 468 18.598 -1.700 1.393 1.00 11.54 C ATOM 615 C VAL X 468 17.253 -2.158 1.945 1.00 22.10 C ATOM 616 O VAL X 468 16.632 -1.466 2.751 1.00 25.15 O ATOM 617 CB VAL X 468 19.607 -1.592 2.552 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.826 -2.952 3.198 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.922 -1.008 2.060 1.00 32.52 C ATOM 0 H VAL X 468 17.992 0.299 1.204 1.00 21.22 H new ATOM 0 HA VAL X 468 18.961 -2.434 0.673 1.00 11.54 H new ATOM 0 HB VAL X 468 19.197 -0.920 3.306 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.542 -2.856 4.014 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.879 -3.327 3.587 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.214 -3.649 2.455 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.623 -0.939 2.892 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.339 -1.652 1.286 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.747 -0.014 1.649 1.00 32.52 H new ATOM 629 N LYS X 469 16.808 -3.331 1.506 1.00 2.33 N ATOM 630 CA LYS X 469 15.537 -3.885 1.957 1.00 73.34 C ATOM 631 C LYS X 469 15.582 -4.208 3.447 1.00 0.52 C ATOM 632 O LYS X 469 14.658 -3.882 4.192 1.00 43.22 O ATOM 633 CB LYS X 469 15.195 -5.146 1.161 1.00 64.33 C ATOM 634 CG LYS X 469 16.286 -6.202 1.197 1.00 65.33 C ATOM 635 CD LYS X 469 16.351 -6.981 -0.106 1.00 74.35 C ATOM 636 CE LYS X 469 17.359 -8.119 -0.025 1.00 63.33 C ATOM 637 NZ LYS X 469 17.297 -9.000 -1.224 1.00 50.11 N ATOM 0 H LYS X 469 17.309 -3.916 0.838 1.00 2.33 H new ATOM 0 HA LYS X 469 14.763 -3.136 1.789 1.00 73.34 H new ATOM 0 HB2 LYS X 469 14.273 -5.575 1.554 1.00 64.33 H new ATOM 0 HB3 LYS X 469 15.002 -4.870 0.124 1.00 64.33 H new ATOM 0 HG2 LYS X 469 17.248 -5.726 1.386 1.00 65.33 H new ATOM 0 HG3 LYS X 469 16.102 -6.888 2.024 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.365 -7.383 -0.341 1.00 74.35 H new ATOM 0 HD3 LYS X 469 16.624 -6.309 -0.920 1.00 74.35 H new ATOM 0 HE2 LYS X 469 18.364 -7.708 0.072 1.00 63.33 H new ATOM 0 HE3 LYS X 469 17.168 -8.710 0.871 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 17.998 -9.762 -1.131 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 16.345 -9.412 -1.303 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 17.504 -8.441 -2.076 1.00 50.11 H new ATOM 647 N SER X 470 16.664 -4.851 3.876 1.00 71.13 N ATOM 648 CA SER X 470 16.828 -5.220 5.277 1.00 51.22 C ATOM 649 C SER X 470 16.695 -3.998 6.180 1.00 51.22 C ATOM 650 O SER X 470 15.919 -4.002 7.137 1.00 14.32 O ATOM 651 CB SER X 470 18.189 -5.883 5.494 1.00 52.44 C ATOM 652 OG SER X 470 18.116 -7.282 5.281 1.00 5.24 O ATOM 0 H SER X 470 17.439 -5.127 3.273 1.00 71.13 H new ATOM 0 HA SER X 470 16.041 -5.928 5.536 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.922 -5.447 4.815 1.00 52.44 H new ATOM 0 HB3 SER X 470 18.536 -5.684 6.508 1.00 52.44 H new ATOM 0 HG SER X 470 18.999 -7.681 5.424 1.00 5.24 H new ATOM 657 N ARG X 471 17.455 -2.954 5.870 1.00 75.24 N ATOM 658 CA ARG X 471 17.423 -1.725 6.653 1.00 11.02 C ATOM 659 C ARG X 471 16.086 -1.010 6.488 1.00 64.24 C ATOM 660 O ARG X 471 15.456 -0.618 7.470 1.00 23.30 O ATOM 661 CB ARG X 471 18.566 -0.797 6.233 1.00 3.34 C ATOM 662 CG ARG X 471 19.943 -1.322 6.601 1.00 74.42 C ATOM 663 CD ARG X 471 21.029 -0.683 5.749 1.00 11.42 C ATOM 664 NE ARG X 471 22.335 -0.730 6.402 1.00 42.13 N ATOM 665 CZ ARG X 471 22.684 0.066 7.406 1.00 73.44 C ATOM 666 NH1 ARG X 471 21.829 0.966 7.872 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.891 -0.038 7.947 1.00 13.40 N ATOM 0 H ARG X 471 18.101 -2.934 5.081 1.00 75.24 H new ATOM 0 HA ARG X 471 17.546 -1.990 7.703 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.521 -0.644 5.155 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.421 0.178 6.699 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.140 -1.122 7.654 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.967 -2.404 6.472 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.085 -1.196 4.789 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.764 0.354 5.542 1.00 11.42 H new ATOM 0 HE ARG X 471 23.016 -1.412 6.068 1.00 42.13 H new ATOM 0 HH11 ARG X 471 20.900 1.048 7.459 1.00 54.24 H new ATOM 0 HH12 ARG X 471 22.100 1.576 8.643 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.551 -0.730 7.592 1.00 13.40 H new ATOM 0 HH22 ARG X 471 24.159 0.574 8.718 1.00 13.40 H new ATOM 678 N ALA X 472 15.660 -0.842 5.240 1.00 63.50 N ATOM 679 CA ALA X 472 14.397 -0.175 4.947 1.00 51.02 C ATOM 680 C ALA X 472 13.243 -0.831 5.697 1.00 14.44 C ATOM 681 O ALA X 472 12.337 -0.153 6.177 1.00 62.31 O ATOM 682 CB ALA X 472 14.130 -0.187 3.449 1.00 12.21 C ATOM 0 H ALA X 472 16.171 -1.159 4.416 1.00 63.50 H new ATOM 0 HA ALA X 472 14.473 0.859 5.284 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.184 0.314 3.244 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.936 0.333 2.932 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.079 -1.217 3.097 1.00 12.21 H new ATOM 688 N ALA X 473 13.283 -2.157 5.794 1.00 33.12 N ATOM 689 CA ALA X 473 12.241 -2.904 6.486 1.00 5.31 C ATOM 690 C ALA X 473 12.321 -2.689 7.993 1.00 1.25 C ATOM 691 O ALA X 473 11.332 -2.330 8.633 1.00 50.13 O ATOM 692 CB ALA X 473 12.346 -4.386 6.157 1.00 61.31 C ATOM 0 H ALA X 473 14.026 -2.735 5.402 1.00 33.12 H new ATOM 0 HA ALA X 473 11.275 -2.534 6.143 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.561 -4.932 6.681 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.232 -4.529 5.082 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.320 -4.760 6.472 1.00 61.31 H new ATOM 698 N LYS X 474 13.504 -2.911 8.556 1.00 62.03 N ATOM 699 CA LYS X 474 13.714 -2.741 9.989 1.00 24.40 C ATOM 700 C LYS X 474 13.433 -1.303 10.413 1.00 54.40 C ATOM 701 O LYS X 474 12.982 -1.052 11.532 1.00 74.45 O ATOM 702 CB LYS X 474 15.147 -3.123 10.364 1.00 34.32 C ATOM 703 CG LYS X 474 16.095 -1.939 10.435 1.00 3.21 C ATOM 704 CD LYS X 474 17.546 -2.386 10.476 1.00 54.32 C ATOM 705 CE LYS X 474 18.095 -2.365 11.895 1.00 20.00 C ATOM 706 NZ LYS X 474 19.330 -3.187 12.024 1.00 3.13 N ATOM 0 H LYS X 474 14.333 -3.209 8.041 1.00 62.03 H new ATOM 0 HA LYS X 474 13.020 -3.398 10.513 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.138 -3.629 11.330 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.526 -3.838 9.634 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.937 -1.293 9.571 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.871 -1.346 11.322 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.629 -3.393 10.067 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.147 -1.734 9.842 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.311 -1.337 12.186 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.337 -2.738 12.583 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.673 -3.147 13.005 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.118 -4.173 11.771 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 20.062 -2.816 11.386 1.00 3.13 H new ATOM 716 N LEU X 475 13.701 -0.362 9.514 1.00 10.44 N ATOM 717 CA LEU X 475 13.475 1.051 9.794 1.00 74.31 C ATOM 718 C LEU X 475 11.984 1.376 9.789 1.00 24.12 C ATOM 719 O LEU X 475 11.469 1.992 10.723 1.00 74.13 O ATOM 720 CB LEU X 475 14.202 1.918 8.766 1.00 52.05 C ATOM 721 CG LEU X 475 14.599 3.319 9.229 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.661 3.906 8.310 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.380 4.229 9.285 1.00 53.02 C ATOM 0 H LEU X 475 14.075 -0.553 8.585 1.00 10.44 H new ATOM 0 HA LEU X 475 13.871 1.267 10.786 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.103 1.393 8.450 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.565 2.015 7.887 1.00 52.05 H new ATOM 0 HG LEU X 475 15.018 3.242 10.232 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.931 4.904 8.656 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.544 3.267 8.320 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.270 3.968 7.295 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.682 5.222 9.617 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.932 4.298 8.294 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.652 3.819 9.985 1.00 53.02 H new ATOM 734 N LEU X 476 11.297 0.958 8.732 1.00 14.12 N ATOM 735 CA LEU X 476 9.865 1.202 8.605 1.00 2.33 C ATOM 736 C LEU X 476 9.085 0.428 9.663 1.00 41.31 C ATOM 737 O LEU X 476 8.044 0.881 10.137 1.00 65.41 O ATOM 738 CB LEU X 476 9.381 0.807 7.209 1.00 21.22 C ATOM 739 CG LEU X 476 9.762 1.759 6.073 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.844 1.009 4.753 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.761 2.902 5.978 1.00 71.10 C ATOM 0 H LEU X 476 11.709 0.448 7.950 1.00 14.12 H new ATOM 0 HA LEU X 476 9.689 2.267 8.756 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.776 -0.182 6.976 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.295 0.719 7.234 1.00 21.22 H new ATOM 0 HG LEU X 476 10.744 2.179 6.290 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.116 1.702 3.957 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.599 0.226 4.826 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.876 0.561 4.529 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.047 3.569 5.165 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.767 2.500 5.784 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.752 3.456 6.916 1.00 71.10 H new ATOM 752 N GLY X 477 9.597 -0.743 10.029 1.00 45.23 N ATOM 753 CA GLY X 477 8.936 -1.561 11.031 1.00 22.13 C ATOM 754 C GLY X 477 8.284 -2.793 10.435 1.00 61.31 C ATOM 755 O GLY X 477 7.447 -3.431 11.073 1.00 35.21 O ATOM 0 H GLY X 477 10.457 -1.140 9.650 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.663 -1.866 11.784 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.180 -0.965 11.542 1.00 22.13 H new ATOM 759 N TYR X 478 8.668 -3.128 9.208 1.00 41.35 N ATOM 760 CA TYR X 478 8.111 -4.289 8.524 1.00 51.13 C ATOM 761 C TYR X 478 9.183 -5.351 8.295 1.00 65.31 C ATOM 762 O TYR X 478 10.379 -5.063 8.336 1.00 40.51 O ATOM 763 CB TYR X 478 7.496 -3.873 7.187 1.00 71.43 C ATOM 764 CG TYR X 478 6.635 -2.634 7.277 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.780 -2.434 8.354 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.675 -1.663 6.284 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.991 -1.303 8.439 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.891 -0.529 6.361 1.00 51.13 C ATOM 769 CZ TYR X 478 5.050 -0.353 7.441 1.00 63.32 C ATOM 770 OH TYR X 478 4.266 0.775 7.523 1.00 43.33 O ATOM 0 H TYR X 478 9.362 -2.612 8.667 1.00 41.35 H new ATOM 0 HA TYR X 478 7.332 -4.714 9.158 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.296 -3.698 6.467 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.895 -4.696 6.801 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.731 -3.175 9.138 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.331 -1.798 5.437 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.331 -1.164 9.283 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.936 0.216 5.580 1.00 51.13 H new ATOM 0 HH TYR X 478 4.428 1.343 6.741 1.00 43.33 H new ATOM 779 N THR X 479 8.744 -6.583 8.052 1.00 31.11 N ATOM 780 CA THR X 479 9.664 -7.689 7.817 1.00 32.34 C ATOM 781 C THR X 479 10.024 -7.799 6.341 1.00 71.23 C ATOM 782 O THR X 479 9.361 -7.214 5.484 1.00 3.54 O ATOM 783 CB THR X 479 9.064 -9.027 8.289 1.00 31.32 C ATOM 784 OG1 THR X 479 9.982 -10.094 8.027 1.00 41.35 O ATOM 785 CG2 THR X 479 7.742 -9.305 7.588 1.00 33.32 C ATOM 0 H THR X 479 7.757 -6.839 8.013 1.00 31.11 H new ATOM 0 HA THR X 479 10.565 -7.480 8.393 1.00 32.34 H new ATOM 0 HB THR X 479 8.881 -8.960 9.361 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.594 -10.941 8.331 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.338 -10.255 7.937 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.036 -8.505 7.812 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.904 -9.354 6.511 1.00 33.32 H new ATOM 793 N LEU X 480 11.078 -8.552 6.049 1.00 51.22 N ATOM 794 CA LEU X 480 11.529 -8.740 4.673 1.00 73.24 C ATOM 795 C LEU X 480 10.370 -9.161 3.775 1.00 73.11 C ATOM 796 O LEU X 480 10.296 -8.762 2.611 1.00 12.40 O ATOM 797 CB LEU X 480 12.639 -9.790 4.618 1.00 54.35 C ATOM 798 CG LEU X 480 13.304 -9.992 3.256 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.755 -10.416 3.427 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.539 -11.020 2.436 1.00 24.30 C ATOM 0 H LEU X 480 11.637 -9.043 6.746 1.00 51.22 H new ATOM 0 HA LEU X 480 11.920 -7.789 4.311 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.409 -9.514 5.339 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.225 -10.745 4.943 1.00 54.35 H new ATOM 0 HG LEU X 480 13.286 -9.043 2.720 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.211 -10.555 2.447 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.297 -9.645 3.974 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.797 -11.353 3.983 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.027 -11.151 1.470 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.525 -11.972 2.967 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.516 -10.675 2.282 1.00 24.30 H new ATOM 811 N ARG X 481 9.465 -9.966 4.322 1.00 60.01 N ATOM 812 CA ARG X 481 8.309 -10.439 3.570 1.00 5.23 C ATOM 813 C ARG X 481 7.366 -9.286 3.240 1.00 63.40 C ATOM 814 O ARG X 481 6.971 -9.106 2.088 1.00 34.21 O ATOM 815 CB ARG X 481 7.562 -11.511 4.364 1.00 22.32 C ATOM 816 CG ARG X 481 6.698 -12.417 3.502 1.00 15.42 C ATOM 817 CD ARG X 481 6.113 -13.565 4.310 1.00 33.20 C ATOM 818 NE ARG X 481 4.961 -13.144 5.103 1.00 11.02 N ATOM 819 CZ ARG X 481 4.342 -13.932 5.976 1.00 23.35 C ATOM 820 NH1 ARG X 481 4.764 -15.175 6.167 1.00 64.23 N ATOM 821 NH2 ARG X 481 3.301 -13.477 6.660 1.00 54.34 N ATOM 0 H ARG X 481 9.510 -10.304 5.283 1.00 60.01 H new ATOM 0 HA ARG X 481 8.667 -10.871 2.636 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.286 -12.121 4.905 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.933 -11.026 5.110 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.890 -11.835 3.057 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.294 -12.815 2.681 1.00 15.42 H new ATOM 0 HD2 ARG X 481 5.815 -14.368 3.636 1.00 33.20 H new ATOM 0 HD3 ARG X 481 6.879 -13.971 4.971 1.00 33.20 H new ATOM 0 HE ARG X 481 4.613 -12.193 4.980 1.00 11.02 H new ATOM 0 HH11 ARG X 481 5.565 -15.528 5.643 1.00 64.23 H new ATOM 0 HH12 ARG X 481 4.287 -15.778 6.838 1.00 64.23 H new ATOM 0 HH21 ARG X 481 2.975 -12.521 6.516 1.00 54.34 H new ATOM 0 HH22 ARG X 481 2.827 -14.083 7.330 1.00 54.34 H new ATOM 832 N GLN X 482 7.010 -8.509 4.258 1.00 43.45 N ATOM 833 CA GLN X 482 6.113 -7.375 4.075 1.00 74.43 C ATOM 834 C GLN X 482 6.713 -6.356 3.112 1.00 15.22 C ATOM 835 O GLN X 482 6.090 -5.988 2.114 1.00 24.12 O ATOM 836 CB GLN X 482 5.816 -6.710 5.421 1.00 61.30 C ATOM 837 CG GLN X 482 4.909 -7.534 6.319 1.00 11.44 C ATOM 838 CD GLN X 482 3.656 -8.006 5.609 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.661 -9.036 4.935 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.571 -7.253 5.758 1.00 62.51 N ATOM 0 H GLN X 482 7.329 -8.644 5.217 1.00 43.45 H new ATOM 0 HA GLN X 482 5.181 -7.746 3.648 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.756 -6.524 5.940 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.353 -5.739 5.243 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.460 -8.399 6.689 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.627 -6.939 7.188 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.612 -6.407 6.326 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.698 -7.521 5.304 1.00 62.51 H new ATOM 847 N LEU X 483 7.923 -5.902 3.417 1.00 30.43 N ATOM 848 CA LEU X 483 8.608 -4.925 2.578 1.00 23.25 C ATOM 849 C LEU X 483 8.685 -5.406 1.132 1.00 43.34 C ATOM 850 O LEU X 483 8.305 -4.688 0.207 1.00 12.42 O ATOM 851 CB LEU X 483 10.015 -4.659 3.115 1.00 32.11 C ATOM 852 CG LEU X 483 10.712 -3.406 2.583 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.224 -2.170 3.323 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.222 -3.543 2.705 1.00 65.25 C ATOM 0 H LEU X 483 8.451 -6.195 4.239 1.00 30.43 H new ATOM 0 HA LEU X 483 8.035 -3.998 2.602 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.960 -4.586 4.201 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.639 -5.523 2.885 1.00 32.11 H new ATOM 0 HG LEU X 483 10.463 -3.294 1.528 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.731 -1.288 2.931 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.148 -2.063 3.183 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.443 -2.272 4.386 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.701 -2.642 2.322 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.491 -3.680 3.752 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.557 -4.405 2.129 1.00 65.25 H new ATOM 865 N ASP X 484 9.177 -6.627 0.947 1.00 4.40 N ATOM 866 CA ASP X 484 9.301 -7.206 -0.385 1.00 74.33 C ATOM 867 C ASP X 484 7.969 -7.154 -1.128 1.00 23.13 C ATOM 868 O ASP X 484 7.905 -6.723 -2.279 1.00 2.41 O ATOM 869 CB ASP X 484 9.791 -8.652 -0.293 1.00 53.22 C ATOM 870 CG ASP X 484 10.007 -9.278 -1.656 1.00 43.05 C ATOM 871 OD1 ASP X 484 9.007 -9.666 -2.296 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.176 -9.381 -2.083 1.00 13.14 O ATOM 0 H ASP X 484 9.496 -7.234 1.702 1.00 4.40 H new ATOM 0 HA ASP X 484 10.030 -6.618 -0.942 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.725 -8.681 0.269 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.065 -9.244 0.264 1.00 53.22 H new ATOM 876 N TYR X 485 6.910 -7.596 -0.460 1.00 62.24 N ATOM 877 CA TYR X 485 5.578 -7.602 -1.057 1.00 54.52 C ATOM 878 C TYR X 485 5.173 -6.200 -1.499 1.00 35.33 C ATOM 879 O TYR X 485 4.479 -6.028 -2.502 1.00 43.32 O ATOM 880 CB TYR X 485 4.554 -8.153 -0.065 1.00 42.42 C ATOM 881 CG TYR X 485 3.499 -9.026 -0.705 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.790 -10.325 -1.102 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.210 -8.551 -0.915 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.830 -11.126 -1.687 1.00 52.30 C ATOM 885 CE2 TYR X 485 1.242 -9.345 -1.500 1.00 35.54 C ATOM 886 CZ TYR X 485 1.557 -10.632 -1.884 1.00 72.11 C ATOM 887 OH TYR X 485 0.596 -11.425 -2.468 1.00 32.54 O ATOM 0 H TYR X 485 6.947 -7.955 0.494 1.00 62.24 H new ATOM 0 HA TYR X 485 5.604 -8.246 -1.936 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.075 -8.729 0.700 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.066 -7.320 0.441 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.785 -10.715 -0.950 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.960 -7.544 -0.616 1.00 34.51 H new ATOM 0 HE1 TYR X 485 3.074 -12.134 -1.989 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.245 -8.960 -1.656 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.245 -10.926 -2.532 1.00 32.54 H new ATOM 896 N ARG X 486 5.610 -5.198 -0.742 1.00 30.20 N ATOM 897 CA ARG X 486 5.292 -3.809 -1.054 1.00 23.23 C ATOM 898 C ARG X 486 6.088 -3.328 -2.263 1.00 23.24 C ATOM 899 O ARG X 486 5.561 -2.626 -3.125 1.00 73.10 O ATOM 900 CB ARG X 486 5.584 -2.915 0.152 1.00 32.34 C ATOM 901 CG ARG X 486 4.356 -2.603 0.991 1.00 43.42 C ATOM 902 CD ARG X 486 3.662 -3.874 1.457 1.00 11.40 C ATOM 903 NE ARG X 486 2.460 -4.158 0.678 1.00 15.11 N ATOM 904 CZ ARG X 486 1.350 -3.433 0.749 1.00 21.53 C ATOM 905 NH1 ARG X 486 1.289 -2.385 1.559 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.296 -3.755 0.009 1.00 1.14 N ATOM 0 H ARG X 486 6.185 -5.322 0.091 1.00 30.20 H new ATOM 0 HA ARG X 486 4.230 -3.749 -1.293 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.330 -3.401 0.781 1.00 32.34 H new ATOM 0 HB3 ARG X 486 6.022 -1.980 -0.197 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.647 -2.008 1.857 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.660 -2.000 0.409 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.352 -4.714 1.378 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.397 -3.777 2.510 1.00 11.40 H new ATOM 0 HE ARG X 486 2.474 -4.957 0.044 1.00 15.11 H new ATOM 0 HH11 ARG X 486 2.096 -2.134 2.130 1.00 34.32 H new ATOM 0 HH12 ARG X 486 0.435 -1.830 1.611 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.338 -4.560 -0.615 1.00 1.14 H new ATOM 0 HH22 ARG X 486 -0.556 -3.197 0.065 1.00 1.14 H new ATOM 917 N ILE X 487 7.360 -3.710 -2.318 1.00 12.05 N ATOM 918 CA ILE X 487 8.227 -3.318 -3.422 1.00 10.12 C ATOM 919 C ILE X 487 7.707 -3.860 -4.749 1.00 62.30 C ATOM 920 O ILE X 487 7.741 -3.173 -5.770 1.00 15.43 O ATOM 921 CB ILE X 487 9.669 -3.814 -3.208 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.266 -3.182 -1.948 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.525 -3.494 -4.424 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.258 -1.670 -1.968 1.00 35.13 C ATOM 0 H ILE X 487 7.812 -4.290 -1.611 1.00 12.05 H new ATOM 0 HA ILE X 487 8.226 -2.228 -3.452 1.00 10.12 H new ATOM 0 HB ILE X 487 9.650 -4.896 -3.076 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.708 -3.529 -1.078 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.292 -3.530 -1.828 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.541 -3.851 -4.258 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.107 -3.986 -5.303 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.541 -2.416 -4.584 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.696 -1.292 -1.044 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.841 -1.314 -2.818 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.232 -1.313 -2.056 1.00 35.13 H new ATOM 935 N LYS X 488 7.225 -5.098 -4.728 1.00 1.41 N ATOM 936 CA LYS X 488 6.694 -5.734 -5.929 1.00 43.53 C ATOM 937 C LYS X 488 5.336 -5.147 -6.299 1.00 53.44 C ATOM 938 O LYS X 488 5.031 -4.954 -7.476 1.00 72.22 O ATOM 939 CB LYS X 488 6.571 -7.244 -5.719 1.00 2.51 C ATOM 940 CG LYS X 488 5.691 -7.624 -4.541 1.00 3.34 C ATOM 941 CD LYS X 488 5.611 -9.132 -4.368 1.00 3.43 C ATOM 942 CE LYS X 488 4.971 -9.799 -5.576 1.00 41.43 C ATOM 943 NZ LYS X 488 4.263 -11.055 -5.206 1.00 22.33 N ATOM 0 H LYS X 488 7.191 -5.682 -3.892 1.00 1.41 H new ATOM 0 HA LYS X 488 7.387 -5.544 -6.749 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.167 -7.697 -6.625 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.566 -7.664 -5.569 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.086 -7.173 -3.631 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.689 -7.220 -4.689 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.612 -9.535 -4.216 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.034 -9.366 -3.473 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.267 -9.109 -6.041 1.00 41.43 H new ATOM 0 HE3 LYS X 488 5.738 -10.020 -6.318 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 3.841 -11.479 -6.057 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 4.939 -11.724 -4.785 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.514 -10.841 -4.517 1.00 22.33 H new ATOM 953 N LYS X 489 4.522 -4.867 -5.287 1.00 24.34 N ATOM 954 CA LYS X 489 3.197 -4.300 -5.505 1.00 21.32 C ATOM 955 C LYS X 489 3.295 -2.874 -6.036 1.00 63.33 C ATOM 956 O LYS X 489 2.593 -2.502 -6.977 1.00 53.33 O ATOM 957 CB LYS X 489 2.392 -4.317 -4.203 1.00 54.52 C ATOM 958 CG LYS X 489 1.291 -5.363 -4.183 1.00 54.51 C ATOM 959 CD LYS X 489 1.856 -6.770 -4.276 1.00 14.12 C ATOM 960 CE LYS X 489 1.731 -7.328 -5.685 1.00 62.31 C ATOM 961 NZ LYS X 489 1.615 -8.813 -5.686 1.00 3.10 N ATOM 0 H LYS X 489 4.757 -5.024 -4.307 1.00 24.34 H new ATOM 0 HA LYS X 489 2.686 -4.911 -6.249 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.070 -4.499 -3.369 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.950 -3.333 -4.046 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.710 -5.263 -3.266 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.608 -5.189 -5.014 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.904 -6.763 -3.978 1.00 14.12 H new ATOM 0 HD3 LYS X 489 1.331 -7.421 -3.578 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.856 -6.895 -6.171 1.00 62.31 H new ATOM 0 HE3 LYS X 489 2.601 -7.031 -6.271 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 1.770 -9.173 -6.650 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 2.329 -9.217 -5.047 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 0.665 -9.087 -5.362 1.00 3.10 H new ATOM 971 N TYR X 490 4.170 -2.080 -5.428 1.00 63.10 N ATOM 972 CA TYR X 490 4.359 -0.695 -5.839 1.00 65.13 C ATOM 973 C TYR X 490 5.426 -0.589 -6.924 1.00 43.30 C ATOM 974 O TYR X 490 5.719 0.499 -7.418 1.00 45.35 O ATOM 975 CB TYR X 490 4.750 0.168 -4.638 1.00 31.24 C ATOM 976 CG TYR X 490 3.629 0.363 -3.642 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.519 1.138 -3.959 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.678 -0.227 -2.385 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.493 1.321 -3.052 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.655 -0.052 -1.473 1.00 30.22 C ATOM 981 CZ TYR X 490 1.565 0.723 -1.811 1.00 51.31 C ATOM 982 OH TYR X 490 0.544 0.902 -0.905 1.00 54.23 O ATOM 0 H TYR X 490 4.759 -2.373 -4.649 1.00 63.10 H new ATOM 0 HA TYR X 490 3.415 -0.333 -6.246 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.599 -0.292 -4.132 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.082 1.143 -4.995 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.458 1.605 -4.931 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.531 -0.833 -2.116 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.639 1.929 -3.313 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.708 -0.519 -0.501 1.00 30.22 H new ATOM 0 HH TYR X 490 0.304 0.039 -0.508 1.00 54.23 H new ATOM 991 N GLY X 491 6.002 -1.729 -7.291 1.00 12.33 N ATOM 992 CA GLY X 491 7.030 -1.745 -8.315 1.00 73.13 C ATOM 993 C GLY X 491 8.133 -0.741 -8.045 1.00 70.25 C ATOM 994 O GLY X 491 8.594 -0.055 -8.957 1.00 25.21 O ATOM 0 H GLY X 491 5.775 -2.642 -6.897 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.460 -2.745 -8.378 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.577 -1.531 -9.283 1.00 73.13 H new ATOM 998 N ILE X 492 8.557 -0.655 -6.789 1.00 33.34 N ATOM 999 CA ILE X 492 9.613 0.273 -6.401 1.00 12.35 C ATOM 1000 C ILE X 492 10.981 -0.235 -6.844 1.00 73.33 C ATOM 1001 O ILE X 492 11.188 -1.439 -6.993 1.00 45.43 O ATOM 1002 CB ILE X 492 9.631 0.501 -4.878 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.212 0.740 -4.359 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.533 1.675 -4.528 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.138 0.917 -2.858 1.00 21.21 C ATOM 0 H ILE X 492 8.186 -1.216 -6.022 1.00 33.34 H new ATOM 0 HA ILE X 492 9.400 1.219 -6.899 1.00 12.35 H new ATOM 0 HB ILE X 492 10.028 -0.393 -4.397 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.802 1.627 -4.842 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.582 -0.101 -4.649 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.535 1.823 -3.448 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.548 1.468 -4.868 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.163 2.576 -5.017 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.102 1.082 -2.562 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.517 0.021 -2.367 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.741 1.776 -2.563 1.00 21.21 H new ATOM 1016 N GLU X 493 11.912 0.691 -7.050 1.00 41.10 N ATOM 1017 CA GLU X 493 13.261 0.337 -7.475 1.00 52.04 C ATOM 1018 C GLU X 493 14.273 0.631 -6.372 1.00 43.33 C ATOM 1019 O GLU X 493 14.037 1.475 -5.505 1.00 63.45 O ATOM 1020 CB GLU X 493 13.637 1.102 -8.745 1.00 63.11 C ATOM 1021 CG GLU X 493 12.834 0.686 -9.966 1.00 11.52 C ATOM 1022 CD GLU X 493 12.831 1.746 -11.052 1.00 74.15 C ATOM 1023 OE1 GLU X 493 12.086 2.737 -10.912 1.00 70.23 O ATOM 1024 OE2 GLU X 493 13.576 1.582 -12.041 1.00 62.13 O ATOM 0 H GLU X 493 11.757 1.692 -6.929 1.00 41.10 H new ATOM 0 HA GLU X 493 13.279 -0.732 -7.686 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.494 2.169 -8.572 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.697 0.952 -8.949 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.245 -0.240 -10.368 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.807 0.475 -9.666 1.00 11.52 H new