USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=13 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 165:sc= 0.764 USER MOD Set 1.2: X 489 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.612) USER MOD Single : X 455 LYS NZ :NH3+ 160:sc= -0.301 (180deg=-0.696) USER MOD Single : X 456 LYS NZ :NH3+ -130:sc= -0.0393 (180deg=-1.15) USER MOD Single : X 464 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.517) USER MOD Single : X 465 THR OG1 : rot 3:sc= 0.345 USER MOD Single : X 467 TYR OH : rot 49:sc= 1.12 USER MOD Single : X 469 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.385) 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= -0.242 USER MOD Single : X 482 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : X 488 LYS NZ :NH3+ -121:sc= -0.162 (180deg=-1.44!) USER MOD Single : X 490 TYR OH : rot 165:sc= -0.661 USER MOD ----------------------------------------------------------------- ATOM 394 N GLU X 454 2.042 5.062 1.583 1.00 61.44 N ATOM 395 CA GLU X 454 2.732 3.795 1.794 1.00 4.33 C ATOM 396 C GLU X 454 3.975 3.699 0.916 1.00 54.22 C ATOM 397 O GLU X 454 5.064 3.382 1.393 1.00 33.03 O ATOM 398 CB GLU X 454 1.794 2.622 1.499 1.00 4.25 C ATOM 399 CG GLU X 454 2.285 1.296 2.052 1.00 54.45 C ATOM 400 CD GLU X 454 1.253 0.610 2.926 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.104 0.442 2.467 1.00 32.21 O ATOM 402 OE2 GLU X 454 1.593 0.242 4.070 1.00 25.31 O ATOM 0 HA GLU X 454 3.042 3.750 2.838 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.812 2.839 1.918 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.667 2.532 0.420 1.00 4.25 H new ATOM 0 HG2 GLU X 454 2.550 0.638 1.225 1.00 54.45 H new ATOM 0 HG3 GLU X 454 3.193 1.462 2.631 1.00 54.45 H new ATOM 407 N LYS X 455 3.805 3.976 -0.373 1.00 25.33 N ATOM 408 CA LYS X 455 4.912 3.922 -1.320 1.00 0.54 C ATOM 409 C LYS X 455 6.001 4.922 -0.943 1.00 62.42 C ATOM 410 O LYS X 455 7.188 4.598 -0.958 1.00 21.12 O ATOM 411 CB LYS X 455 4.412 4.209 -2.737 1.00 34.23 C ATOM 412 CG LYS X 455 5.498 4.122 -3.795 1.00 13.52 C ATOM 413 CD LYS X 455 5.815 5.487 -4.383 1.00 51.32 C ATOM 414 CE LYS X 455 7.010 6.128 -3.693 1.00 3.43 C ATOM 415 NZ LYS X 455 7.792 6.987 -4.622 1.00 10.05 N ATOM 0 H LYS X 455 2.910 4.240 -0.785 1.00 25.33 H new ATOM 0 HA LYS X 455 5.337 2.919 -1.286 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.619 3.503 -2.983 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.971 5.205 -2.763 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.400 3.695 -3.357 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.180 3.448 -4.590 1.00 13.52 H new ATOM 0 HD2 LYS X 455 6.020 5.386 -5.449 1.00 51.32 H new ATOM 0 HD3 LYS X 455 4.946 6.137 -4.286 1.00 51.32 H new ATOM 0 HE2 LYS X 455 6.664 6.726 -2.850 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.656 5.349 -3.288 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.370 7.655 -4.073 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 8.413 6.391 -5.206 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.141 7.516 -5.237 1.00 10.05 H new ATOM 425 N LYS X 456 5.588 6.139 -0.601 1.00 23.55 N ATOM 426 CA LYS X 456 6.527 7.185 -0.217 1.00 51.54 C ATOM 427 C LYS X 456 7.308 6.783 1.029 1.00 23.14 C ATOM 428 O LYS X 456 8.496 7.085 1.153 1.00 54.11 O ATOM 429 CB LYS X 456 5.782 8.499 0.037 1.00 65.35 C ATOM 430 CG LYS X 456 5.339 9.201 -1.234 1.00 12.34 C ATOM 431 CD LYS X 456 4.473 10.412 -0.929 1.00 41.13 C ATOM 432 CE LYS X 456 5.315 11.616 -0.535 1.00 35.30 C ATOM 433 NZ LYS X 456 5.569 11.660 0.932 1.00 61.51 N ATOM 0 H LYS X 456 4.609 6.424 -0.582 1.00 23.55 H new ATOM 0 HA LYS X 456 7.232 7.326 -1.037 1.00 51.54 H new ATOM 0 HB2 LYS X 456 4.907 8.297 0.655 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.427 9.169 0.606 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.215 9.513 -1.803 1.00 12.34 H new ATOM 0 HG3 LYS X 456 4.783 8.504 -1.861 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.870 10.659 -1.803 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.781 10.171 -0.122 1.00 41.13 H new ATOM 0 HE2 LYS X 456 6.266 11.584 -1.067 1.00 35.30 H new ATOM 0 HE3 LYS X 456 4.808 12.530 -0.843 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 5.336 12.606 1.296 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.977 10.950 1.408 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 6.572 11.455 1.117 1.00 61.51 H new ATOM 443 N ARG X 457 6.636 6.101 1.951 1.00 71.11 N ATOM 444 CA ARG X 457 7.269 5.657 3.188 1.00 35.12 C ATOM 445 C ARG X 457 8.345 4.613 2.903 1.00 55.14 C ATOM 446 O ARG X 457 9.481 4.738 3.360 1.00 20.31 O ATOM 447 CB ARG X 457 6.222 5.079 4.142 1.00 21.50 C ATOM 448 CG ARG X 457 5.547 6.129 5.011 1.00 50.23 C ATOM 449 CD ARG X 457 6.536 6.791 5.956 1.00 12.04 C ATOM 450 NE ARG X 457 5.869 7.441 7.081 1.00 20.01 N ATOM 451 CZ ARG X 457 6.512 7.925 8.137 1.00 74.42 C ATOM 452 NH1 ARG X 457 7.833 7.836 8.211 1.00 71.32 N ATOM 453 NH2 ARG X 457 5.835 8.503 9.121 1.00 51.31 N ATOM 0 H ARG X 457 5.653 5.844 1.865 1.00 71.11 H new ATOM 0 HA ARG X 457 7.740 6.521 3.657 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.462 4.556 3.561 1.00 21.50 H new ATOM 0 HB3 ARG X 457 6.697 4.338 4.785 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.086 6.886 4.377 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.746 5.666 5.587 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.234 6.043 6.332 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.123 7.528 5.408 1.00 12.04 H new ATOM 0 HE ARG X 457 4.853 7.528 7.054 1.00 20.01 H new ATOM 0 HH11 ARG X 457 8.358 7.395 7.456 1.00 71.32 H new ATOM 0 HH12 ARG X 457 8.325 8.209 9.023 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.819 8.576 9.067 1.00 51.31 H new ATOM 0 HH22 ARG X 457 6.331 8.874 9.932 1.00 51.31 H new ATOM 464 N ILE X 458 7.977 3.584 2.147 1.00 20.05 N ATOM 465 CA ILE X 458 8.911 2.518 1.802 1.00 63.42 C ATOM 466 C ILE X 458 10.132 3.072 1.075 1.00 45.00 C ATOM 467 O ILE X 458 11.268 2.852 1.494 1.00 10.42 O ATOM 468 CB ILE X 458 8.242 1.448 0.919 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.042 0.835 1.644 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.248 0.370 0.542 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.424 -0.008 2.839 1.00 74.53 C ATOM 0 H ILE X 458 7.040 3.465 1.762 1.00 20.05 H new ATOM 0 HA ILE X 458 9.227 2.058 2.739 1.00 63.42 H new ATOM 0 HB ILE X 458 7.886 1.922 0.004 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.378 1.635 1.971 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.479 0.221 0.942 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.761 -0.380 -0.082 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.074 0.820 -0.009 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.630 -0.103 1.446 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.524 -0.410 3.303 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.063 -0.830 2.515 1.00 74.53 H new ATOM 0 HD13 ILE X 458 7.961 0.607 3.561 1.00 74.53 H new ATOM 482 N ILE X 459 9.888 3.791 -0.015 1.00 30.41 N ATOM 483 CA ILE X 459 10.968 4.378 -0.799 1.00 14.13 C ATOM 484 C ILE X 459 11.809 5.326 0.048 1.00 54.12 C ATOM 485 O ILE X 459 13.028 5.399 -0.109 1.00 73.32 O ATOM 486 CB ILE X 459 10.424 5.144 -2.020 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.570 5.532 -2.957 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.658 6.379 -1.572 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.229 5.386 -4.423 1.00 14.20 C ATOM 0 H ILE X 459 8.953 3.981 -0.375 1.00 30.41 H new ATOM 0 HA ILE X 459 11.592 3.554 -1.145 1.00 14.13 H new ATOM 0 HB ILE X 459 9.739 4.493 -2.564 1.00 61.15 H new ATOM 0 HG12 ILE X 459 11.855 6.565 -2.760 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.438 4.913 -2.731 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.280 6.910 -2.446 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.822 6.079 -0.940 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.322 7.035 -1.009 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.088 5.678 -5.027 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.973 4.348 -4.635 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.380 6.026 -4.665 1.00 14.20 H new ATOM 500 N GLU X 460 11.151 6.049 0.948 1.00 70.03 N ATOM 501 CA GLU X 460 11.841 6.992 1.822 1.00 55.24 C ATOM 502 C GLU X 460 12.839 6.271 2.721 1.00 12.02 C ATOM 503 O GLU X 460 14.007 6.651 2.800 1.00 12.20 O ATOM 504 CB GLU X 460 10.831 7.761 2.677 1.00 64.30 C ATOM 505 CG GLU X 460 11.472 8.597 3.772 1.00 23.33 C ATOM 506 CD GLU X 460 10.540 9.664 4.313 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.377 9.720 3.863 1.00 74.02 O ATOM 508 OE2 GLU X 460 10.975 10.442 5.187 1.00 44.32 O ATOM 0 H GLU X 460 10.142 6.001 1.092 1.00 70.03 H new ATOM 0 HA GLU X 460 12.387 7.696 1.195 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.243 8.413 2.031 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.138 7.053 3.131 1.00 64.30 H new ATOM 0 HG2 GLU X 460 11.783 7.944 4.588 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.373 9.071 3.382 1.00 23.33 H new ATOM 513 N ALA X 461 12.371 5.227 3.397 1.00 23.10 N ATOM 514 CA ALA X 461 13.223 4.451 4.290 1.00 30.24 C ATOM 515 C ALA X 461 14.404 3.850 3.537 1.00 45.21 C ATOM 516 O ALA X 461 15.548 3.935 3.985 1.00 60.24 O ATOM 517 CB ALA X 461 12.415 3.354 4.969 1.00 43.23 C ATOM 0 H ALA X 461 11.407 4.899 3.343 1.00 23.10 H new ATOM 0 HA ALA X 461 13.616 5.124 5.052 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.064 2.782 5.633 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.608 3.802 5.548 1.00 43.23 H new ATOM 0 HB3 ALA X 461 11.995 2.691 4.213 1.00 43.23 H new ATOM 523 N LEU X 462 14.121 3.241 2.391 1.00 41.14 N ATOM 524 CA LEU X 462 15.161 2.624 1.574 1.00 32.12 C ATOM 525 C LEU X 462 16.247 3.636 1.220 1.00 23.05 C ATOM 526 O LEU X 462 17.428 3.406 1.474 1.00 51.52 O ATOM 527 CB LEU X 462 14.556 2.041 0.296 1.00 22.31 C ATOM 528 CG LEU X 462 13.940 0.646 0.422 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.978 0.383 -0.726 1.00 13.41 C ATOM 530 CD2 LEU X 462 15.029 -0.416 0.462 1.00 72.43 C ATOM 0 H LEU X 462 13.180 3.161 2.006 1.00 41.14 H new ATOM 0 HA LEU X 462 15.614 1.820 2.154 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.787 2.725 -0.063 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.333 2.006 -0.467 1.00 22.31 H new ATOM 0 HG LEU X 462 13.381 0.599 1.356 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.549 -0.614 -0.620 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.180 1.125 -0.709 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.514 0.449 -1.673 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.573 -1.402 0.552 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.616 -0.370 -0.455 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.680 -0.238 1.318 1.00 72.43 H new ATOM 541 N GLU X 463 15.836 4.756 0.634 1.00 4.01 N ATOM 542 CA GLU X 463 16.773 5.804 0.246 1.00 14.12 C ATOM 543 C GLU X 463 17.590 6.274 1.447 1.00 33.23 C ATOM 544 O GLU X 463 18.791 6.521 1.337 1.00 3.32 O ATOM 545 CB GLU X 463 16.025 6.987 -0.370 1.00 41.55 C ATOM 546 CG GLU X 463 15.247 6.627 -1.625 1.00 22.34 C ATOM 547 CD GLU X 463 15.935 7.096 -2.892 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.172 7.262 -2.868 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.236 7.297 -3.907 1.00 1.41 O ATOM 0 H GLU X 463 14.861 4.961 0.418 1.00 4.01 H new ATOM 0 HA GLU X 463 17.455 5.389 -0.497 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.337 7.396 0.370 1.00 41.55 H new ATOM 0 HB3 GLU X 463 16.740 7.774 -0.609 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.113 5.546 -1.667 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.252 7.070 -1.571 1.00 22.34 H new ATOM 554 N LYS X 464 16.929 6.396 2.593 1.00 23.51 N ATOM 555 CA LYS X 464 17.592 6.835 3.816 1.00 44.12 C ATOM 556 C LYS X 464 18.525 5.753 4.349 1.00 71.21 C ATOM 557 O LYS X 464 19.485 6.043 5.063 1.00 34.14 O ATOM 558 CB LYS X 464 16.554 7.199 4.880 1.00 41.33 C ATOM 559 CG LYS X 464 16.195 8.674 4.902 1.00 1.43 C ATOM 560 CD LYS X 464 15.337 9.058 3.709 1.00 74.45 C ATOM 561 CE LYS X 464 15.279 10.567 3.525 1.00 13.32 C ATOM 562 NZ LYS X 464 14.252 10.965 2.523 1.00 54.43 N ATOM 0 H LYS X 464 15.934 6.197 2.701 1.00 23.51 H new ATOM 0 HA LYS X 464 18.187 7.717 3.580 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.649 6.616 4.707 1.00 41.33 H new ATOM 0 HB3 LYS X 464 16.935 6.912 5.860 1.00 41.33 H new ATOM 0 HG2 LYS X 464 15.662 8.906 5.824 1.00 1.43 H new ATOM 0 HG3 LYS X 464 17.107 9.271 4.902 1.00 1.43 H new ATOM 0 HD2 LYS X 464 15.739 8.596 2.807 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.328 8.668 3.845 1.00 74.45 H new ATOM 0 HE2 LYS X 464 15.056 11.041 4.481 1.00 13.32 H new ATOM 0 HE3 LYS X 464 16.256 10.932 3.208 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 14.479 11.909 2.150 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 14.243 10.277 1.743 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 13.316 10.987 2.975 1.00 54.43 H new ATOM 572 N THR X 465 18.237 4.504 3.996 1.00 13.11 N ATOM 573 CA THR X 465 19.050 3.378 4.439 1.00 52.11 C ATOM 574 C THR X 465 20.129 3.044 3.414 1.00 75.51 C ATOM 575 O THR X 465 21.013 2.229 3.675 1.00 65.34 O ATOM 576 CB THR X 465 18.189 2.127 4.688 1.00 42.21 C ATOM 577 OG1 THR X 465 17.447 1.799 3.508 1.00 52.14 O ATOM 578 CG2 THR X 465 17.231 2.351 5.849 1.00 61.42 C ATOM 0 H THR X 465 17.447 4.247 3.405 1.00 13.11 H new ATOM 0 HA THR X 465 19.521 3.676 5.375 1.00 52.11 H new ATOM 0 HB THR X 465 18.854 1.301 4.940 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.688 2.418 2.788 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.633 1.453 6.006 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.800 2.571 6.753 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.573 3.190 5.621 1.00 61.42 H new ATOM 586 N GLY X 466 20.050 3.678 2.249 1.00 31.45 N ATOM 587 CA GLY X 466 21.025 3.433 1.203 1.00 73.12 C ATOM 588 C GLY X 466 20.587 2.344 0.243 1.00 2.02 C ATOM 589 O GLY X 466 21.396 1.517 -0.177 1.00 72.31 O ATOM 0 H GLY X 466 19.328 4.358 2.011 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.196 4.355 0.647 1.00 73.12 H new ATOM 0 HA3 GLY X 466 21.976 3.152 1.656 1.00 73.12 H new ATOM 593 N TYR X 467 19.305 2.342 -0.101 1.00 22.12 N ATOM 594 CA TYR X 467 18.759 1.344 -1.012 1.00 42.34 C ATOM 595 C TYR X 467 18.934 -0.062 -0.449 1.00 41.45 C ATOM 596 O TYR X 467 19.276 -0.997 -1.173 1.00 0.12 O ATOM 597 CB TYR X 467 19.440 1.446 -2.379 1.00 12.11 C ATOM 598 CG TYR X 467 19.295 2.803 -3.029 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.040 3.352 -3.262 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.412 3.536 -3.409 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.903 4.591 -3.858 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.283 4.776 -4.004 1.00 24.43 C ATOM 603 CZ TYR X 467 19.027 5.300 -4.226 1.00 42.32 C ATOM 604 OH TYR X 467 18.894 6.535 -4.817 1.00 45.41 O ATOM 0 H TYR X 467 18.623 3.021 0.238 1.00 22.12 H new ATOM 0 HA TYR X 467 17.693 1.539 -1.128 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.500 1.219 -2.265 1.00 12.11 H new ATOM 0 HB3 TYR X 467 19.021 0.689 -3.042 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.157 2.801 -2.973 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.398 3.130 -3.236 1.00 42.12 H new ATOM 0 HE1 TYR X 467 16.920 5.002 -4.035 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.162 5.333 -4.294 1.00 24.43 H new ATOM 0 HH TYR X 467 18.272 7.083 -4.294 1.00 45.41 H new ATOM 613 N VAL X 468 18.693 -0.205 0.851 1.00 21.22 N ATOM 614 CA VAL X 468 18.822 -1.497 1.515 1.00 11.54 C ATOM 615 C VAL X 468 17.466 -2.002 1.999 1.00 22.10 C ATOM 616 O VAL X 468 16.742 -1.298 2.701 1.00 25.15 O ATOM 617 CB VAL X 468 19.785 -1.419 2.714 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.986 -2.796 3.328 1.00 2.22 C ATOM 619 CG2 VAL X 468 21.115 -0.816 2.289 1.00 32.52 C ATOM 0 H VAL X 468 18.407 0.558 1.465 1.00 21.22 H new ATOM 0 HA VAL X 468 19.226 -2.192 0.779 1.00 11.54 H new ATOM 0 HB VAL X 468 19.344 -0.771 3.472 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.669 -2.721 4.174 1.00 2.22 H new ATOM 0 HG12 VAL X 468 19.027 -3.185 3.670 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.406 -3.470 2.581 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.784 -0.768 3.148 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.564 -1.436 1.513 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.951 0.189 1.900 1.00 32.52 H new ATOM 629 N LYS X 469 17.130 -3.230 1.617 1.00 2.33 N ATOM 630 CA LYS X 469 15.862 -3.833 2.011 1.00 73.34 C ATOM 631 C LYS X 469 15.856 -4.161 3.501 1.00 0.52 C ATOM 632 O LYS X 469 14.949 -3.762 4.231 1.00 43.22 O ATOM 633 CB LYS X 469 15.603 -5.103 1.198 1.00 64.33 C ATOM 634 CG LYS X 469 15.534 -4.863 -0.300 1.00 65.33 C ATOM 635 CD LYS X 469 15.201 -6.139 -1.055 1.00 74.35 C ATOM 636 CE LYS X 469 13.736 -6.517 -0.891 1.00 63.33 C ATOM 637 NZ LYS X 469 12.858 -5.747 -1.816 1.00 50.11 N ATOM 0 H LYS X 469 17.718 -3.827 1.035 1.00 2.33 H new ATOM 0 HA LYS X 469 15.068 -3.113 1.811 1.00 73.34 H new ATOM 0 HB2 LYS X 469 16.393 -5.825 1.406 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.666 -5.552 1.529 1.00 64.33 H new ATOM 0 HG2 LYS X 469 14.780 -4.106 -0.514 1.00 65.33 H new ATOM 0 HG3 LYS X 469 16.488 -4.470 -0.651 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.428 -6.007 -2.113 1.00 74.35 H new ATOM 0 HD3 LYS X 469 15.830 -6.952 -0.693 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.613 -7.584 -1.077 1.00 63.33 H new ATOM 0 HE3 LYS X 469 13.427 -6.336 0.138 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 11.951 -5.548 -1.348 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 13.321 -4.851 -2.069 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 12.689 -6.304 -2.678 1.00 50.11 H new ATOM 647 N SER X 470 16.876 -4.889 3.947 1.00 71.13 N ATOM 648 CA SER X 470 16.986 -5.272 5.349 1.00 51.22 C ATOM 649 C SER X 470 16.846 -4.054 6.258 1.00 51.22 C ATOM 650 O SER X 470 16.023 -4.039 7.172 1.00 14.32 O ATOM 651 CB SER X 470 18.327 -5.963 5.607 1.00 52.44 C ATOM 652 OG SER X 470 18.466 -6.313 6.973 1.00 5.24 O ATOM 0 H SER X 470 17.637 -5.225 3.357 1.00 71.13 H new ATOM 0 HA SER X 470 16.177 -5.967 5.575 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.403 -6.858 4.990 1.00 52.44 H new ATOM 0 HB3 SER X 470 19.143 -5.302 5.313 1.00 52.44 H new ATOM 0 HG SER X 470 19.330 -6.754 7.111 1.00 5.24 H new ATOM 657 N ARG X 471 17.658 -3.033 5.998 1.00 75.24 N ATOM 658 CA ARG X 471 17.626 -1.811 6.791 1.00 11.02 C ATOM 659 C ARG X 471 16.270 -1.122 6.676 1.00 64.24 C ATOM 660 O ARG X 471 15.659 -0.759 7.681 1.00 23.30 O ATOM 661 CB ARG X 471 18.734 -0.857 6.342 1.00 3.34 C ATOM 662 CG ARG X 471 20.136 -1.403 6.563 1.00 74.42 C ATOM 663 CD ARG X 471 21.167 -0.637 5.750 1.00 11.42 C ATOM 664 NE ARG X 471 22.299 -1.478 5.371 1.00 42.13 N ATOM 665 CZ ARG X 471 23.480 -0.996 4.998 1.00 73.44 C ATOM 666 NH1 ARG X 471 23.682 0.313 4.955 1.00 54.24 N ATOM 667 NH2 ARG X 471 24.462 -1.826 4.668 1.00 13.40 N ATOM 0 H ARG X 471 18.345 -3.029 5.244 1.00 75.24 H new ATOM 0 HA ARG X 471 17.789 -2.082 7.834 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.603 -0.634 5.283 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.631 0.085 6.881 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.388 -1.343 7.622 1.00 74.42 H new ATOM 0 HG3 ARG X 471 20.164 -2.457 6.288 1.00 74.42 H new ATOM 0 HD2 ARG X 471 20.696 -0.237 4.852 1.00 11.42 H new ATOM 0 HD3 ARG X 471 21.525 0.214 6.329 1.00 11.42 H new ATOM 0 HE ARG X 471 22.177 -2.490 5.394 1.00 42.13 H new ATOM 0 HH11 ARG X 471 22.930 0.954 5.209 1.00 54.24 H new ATOM 0 HH12 ARG X 471 24.590 0.680 4.668 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.310 -2.834 4.701 1.00 13.40 H new ATOM 0 HH22 ARG X 471 25.368 -1.456 4.382 1.00 13.40 H new ATOM 678 N ALA X 472 15.805 -0.945 5.444 1.00 63.50 N ATOM 679 CA ALA X 472 14.520 -0.302 5.197 1.00 51.02 C ATOM 680 C ALA X 472 13.394 -1.027 5.926 1.00 14.44 C ATOM 681 O ALA X 472 12.452 -0.401 6.411 1.00 62.31 O ATOM 682 CB ALA X 472 14.236 -0.247 3.703 1.00 12.21 C ATOM 0 H ALA X 472 16.299 -1.238 4.601 1.00 63.50 H new ATOM 0 HA ALA X 472 14.571 0.716 5.583 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.273 0.236 3.533 1.00 12.21 H new ATOM 0 HB2 ALA X 472 15.020 0.322 3.204 1.00 12.21 H new ATOM 0 HB3 ALA X 472 14.210 -1.259 3.300 1.00 12.21 H new ATOM 688 N ALA X 473 13.498 -2.350 5.999 1.00 33.12 N ATOM 689 CA ALA X 473 12.488 -3.159 6.670 1.00 5.31 C ATOM 690 C ALA X 473 12.490 -2.905 8.173 1.00 1.25 C ATOM 691 O ALA X 473 11.453 -2.603 8.764 1.00 50.13 O ATOM 692 CB ALA X 473 12.720 -4.636 6.383 1.00 61.31 C ATOM 0 H ALA X 473 14.271 -2.884 5.602 1.00 33.12 H new ATOM 0 HA ALA X 473 11.511 -2.872 6.281 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.959 -5.229 6.890 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.661 -4.812 5.309 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.707 -4.926 6.744 1.00 61.31 H new ATOM 698 N LYS X 474 13.661 -3.027 8.788 1.00 62.03 N ATOM 699 CA LYS X 474 13.799 -2.808 10.223 1.00 24.40 C ATOM 700 C LYS X 474 13.493 -1.359 10.585 1.00 54.40 C ATOM 701 O LYS X 474 12.948 -1.077 11.654 1.00 74.45 O ATOM 702 CB LYS X 474 15.213 -3.172 10.681 1.00 34.32 C ATOM 703 CG LYS X 474 16.303 -2.381 9.978 1.00 3.21 C ATOM 704 CD LYS X 474 17.683 -2.761 10.486 1.00 54.32 C ATOM 705 CE LYS X 474 18.088 -1.916 11.686 1.00 20.00 C ATOM 706 NZ LYS X 474 19.152 -2.574 12.492 1.00 3.13 N ATOM 0 H LYS X 474 14.529 -3.277 8.315 1.00 62.03 H new ATOM 0 HA LYS X 474 13.081 -3.450 10.734 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.292 -3.007 11.756 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.379 -4.235 10.509 1.00 34.32 H new ATOM 0 HG2 LYS X 474 16.248 -2.559 8.904 1.00 3.21 H new ATOM 0 HG3 LYS X 474 16.138 -1.315 10.133 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.693 -3.815 10.762 1.00 54.32 H new ATOM 0 HD3 LYS X 474 18.414 -2.634 9.687 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.441 -0.943 11.343 1.00 20.00 H new ATOM 0 HE3 LYS X 474 17.216 -1.735 12.314 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 19.400 -1.968 13.300 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 18.806 -3.491 12.841 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 19.994 -2.724 11.900 1.00 3.13 H new ATOM 716 N LEU X 475 13.844 -0.443 9.689 1.00 10.44 N ATOM 717 CA LEU X 475 13.604 0.978 9.913 1.00 74.31 C ATOM 718 C LEU X 475 12.110 1.282 9.939 1.00 24.12 C ATOM 719 O LEU X 475 11.612 1.928 10.861 1.00 74.13 O ATOM 720 CB LEU X 475 14.287 1.808 8.825 1.00 52.05 C ATOM 721 CG LEU X 475 14.680 3.233 9.214 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.482 3.890 8.100 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.442 4.058 9.539 1.00 53.02 C ATOM 0 H LEU X 475 14.296 -0.659 8.800 1.00 10.44 H new ATOM 0 HA LEU X 475 14.025 1.244 10.882 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.185 1.280 8.504 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.621 1.859 7.963 1.00 52.05 H new ATOM 0 HG LEU X 475 15.306 3.185 10.105 1.00 5.43 H new ATOM 0 HD11 LEU X 475 15.752 4.904 8.396 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.387 3.312 7.914 1.00 24.51 H new ATOM 0 HD13 LEU X 475 14.881 3.925 7.191 1.00 24.51 H new ATOM 0 HD21 LEU X 475 13.741 5.070 9.814 1.00 53.02 H new ATOM 0 HD22 LEU X 475 12.791 4.097 8.666 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.907 3.599 10.370 1.00 53.02 H new ATOM 734 N LEU X 476 11.398 0.809 8.921 1.00 14.12 N ATOM 735 CA LEU X 476 9.959 1.027 8.827 1.00 2.33 C ATOM 736 C LEU X 476 9.213 0.198 9.867 1.00 41.31 C ATOM 737 O LEU X 476 8.203 0.634 10.416 1.00 65.41 O ATOM 738 CB LEU X 476 9.461 0.676 7.425 1.00 21.22 C ATOM 739 CG LEU X 476 9.896 1.617 6.302 1.00 11.11 C ATOM 740 CD1 LEU X 476 10.116 0.843 5.011 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.863 2.715 6.096 1.00 71.10 C ATOM 0 H LEU X 476 11.794 0.272 8.150 1.00 14.12 H new ATOM 0 HA LEU X 476 9.763 2.081 9.022 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.803 -0.330 7.181 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.372 0.646 7.445 1.00 21.22 H new ATOM 0 HG LEU X 476 10.839 2.081 6.589 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.425 1.530 4.223 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.892 0.093 5.164 1.00 15.24 H new ATOM 0 HD13 LEU X 476 9.188 0.350 4.719 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.189 3.376 5.293 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.905 2.268 5.832 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.754 3.289 7.016 1.00 71.10 H new ATOM 752 N GLY X 477 9.721 -1.002 10.135 1.00 45.23 N ATOM 753 CA GLY X 477 9.092 -1.873 11.110 1.00 22.13 C ATOM 754 C GLY X 477 8.469 -3.100 10.476 1.00 61.31 C ATOM 755 O GLY X 477 7.644 -3.776 11.092 1.00 35.21 O ATOM 0 H GLY X 477 10.557 -1.386 9.694 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.834 -2.185 11.845 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.324 -1.316 11.648 1.00 22.13 H new ATOM 759 N TYR X 478 8.863 -3.390 9.240 1.00 41.35 N ATOM 760 CA TYR X 478 8.335 -4.542 8.519 1.00 51.13 C ATOM 761 C TYR X 478 9.432 -5.568 8.255 1.00 65.31 C ATOM 762 O TYR X 478 10.620 -5.243 8.266 1.00 40.51 O ATOM 763 CB TYR X 478 7.706 -4.098 7.197 1.00 71.43 C ATOM 764 CG TYR X 478 6.842 -2.863 7.322 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.980 -2.700 8.399 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.890 -1.859 6.362 1.00 30.21 C ATOM 767 CE1 TYR X 478 5.189 -1.574 8.516 1.00 15.11 C ATOM 768 CE2 TYR X 478 6.104 -0.729 6.472 1.00 51.13 C ATOM 769 CZ TYR X 478 5.255 -0.591 7.551 1.00 63.32 C ATOM 770 OH TYR X 478 4.469 0.533 7.664 1.00 43.33 O ATOM 0 H TYR X 478 9.546 -2.843 8.717 1.00 41.35 H new ATOM 0 HA TYR X 478 7.569 -5.008 9.139 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.499 -3.905 6.474 1.00 71.43 H new ATOM 0 HB3 TYR X 478 7.103 -4.914 6.799 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.927 -3.467 9.158 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.553 -1.964 5.516 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.522 -1.464 9.359 1.00 15.11 H new ATOM 0 HE2 TYR X 478 6.153 0.042 5.718 1.00 51.13 H new ATOM 0 HH TYR X 478 4.636 1.127 6.903 1.00 43.33 H new ATOM 779 N THR X 479 9.026 -6.811 8.014 1.00 31.11 N ATOM 780 CA THR X 479 9.972 -7.886 7.746 1.00 32.34 C ATOM 781 C THR X 479 10.288 -7.983 6.258 1.00 71.23 C ATOM 782 O THR X 479 9.600 -7.389 5.427 1.00 3.54 O ATOM 783 CB THR X 479 9.432 -9.244 8.234 1.00 31.32 C ATOM 784 OG1 THR X 479 10.402 -10.271 7.997 1.00 41.35 O ATOM 785 CG2 THR X 479 8.132 -9.595 7.526 1.00 33.32 C ATOM 0 H THR X 479 8.047 -7.098 7.999 1.00 31.11 H new ATOM 0 HA THR X 479 10.884 -7.648 8.293 1.00 32.34 H new ATOM 0 HB THR X 479 9.237 -9.169 9.304 1.00 31.32 H new ATOM 0 HG1 THR X 479 10.052 -11.131 8.312 1.00 41.35 H new ATOM 0 HG21 THR X 479 7.770 -10.558 7.887 1.00 33.32 H new ATOM 0 HG22 THR X 479 7.387 -8.827 7.732 1.00 33.32 H new ATOM 0 HG23 THR X 479 8.307 -9.653 6.452 1.00 33.32 H new ATOM 793 N LEU X 480 11.334 -8.734 5.928 1.00 51.22 N ATOM 794 CA LEU X 480 11.741 -8.909 4.538 1.00 73.24 C ATOM 795 C LEU X 480 10.557 -9.331 3.673 1.00 73.11 C ATOM 796 O LEU X 480 10.452 -8.936 2.512 1.00 12.40 O ATOM 797 CB LEU X 480 12.857 -9.950 4.440 1.00 54.35 C ATOM 798 CG LEU X 480 13.461 -10.158 3.051 1.00 42.31 C ATOM 799 CD1 LEU X 480 14.943 -10.479 3.156 1.00 10.34 C ATOM 800 CD2 LEU X 480 12.725 -11.265 2.310 1.00 24.30 C ATOM 0 H LEU X 480 11.915 -9.231 6.603 1.00 51.22 H new ATOM 0 HA LEU X 480 12.112 -7.952 4.170 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.657 -9.661 5.122 1.00 54.35 H new ATOM 0 HB3 LEU X 480 12.467 -10.905 4.791 1.00 54.35 H new ATOM 0 HG LEU X 480 13.350 -9.233 2.485 1.00 42.31 H new ATOM 0 HD11 LEU X 480 15.356 -10.624 2.158 1.00 10.34 H new ATOM 0 HD12 LEU X 480 15.460 -9.654 3.646 1.00 10.34 H new ATOM 0 HD13 LEU X 480 15.078 -11.390 3.740 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.168 -11.399 1.323 1.00 24.30 H new ATOM 0 HD22 LEU X 480 12.804 -12.195 2.873 1.00 24.30 H new ATOM 0 HD23 LEU X 480 11.675 -10.995 2.202 1.00 24.30 H new ATOM 811 N ARG X 481 9.670 -10.137 4.246 1.00 60.01 N ATOM 812 CA ARG X 481 8.494 -10.613 3.529 1.00 5.23 C ATOM 813 C ARG X 481 7.538 -9.462 3.227 1.00 63.40 C ATOM 814 O ARG X 481 7.125 -9.270 2.083 1.00 34.21 O ATOM 815 CB ARG X 481 7.772 -11.687 4.343 1.00 22.32 C ATOM 816 CG ARG X 481 6.991 -12.676 3.492 1.00 15.42 C ATOM 817 CD ARG X 481 6.722 -13.969 4.245 1.00 33.20 C ATOM 818 NE ARG X 481 5.823 -14.854 3.509 1.00 11.02 N ATOM 819 CZ ARG X 481 5.351 -15.994 4.000 1.00 23.35 C ATOM 820 NH1 ARG X 481 5.689 -16.386 5.220 1.00 64.23 N ATOM 821 NH2 ARG X 481 4.537 -16.745 3.269 1.00 54.34 N ATOM 0 H ARG X 481 9.744 -10.474 5.206 1.00 60.01 H new ATOM 0 HA ARG X 481 8.827 -11.045 2.585 1.00 5.23 H new ATOM 0 HB2 ARG X 481 8.504 -12.232 4.939 1.00 22.32 H new ATOM 0 HB3 ARG X 481 7.089 -11.203 5.041 1.00 22.32 H new ATOM 0 HG2 ARG X 481 6.045 -12.228 3.187 1.00 15.42 H new ATOM 0 HG3 ARG X 481 7.549 -12.894 2.581 1.00 15.42 H new ATOM 0 HD2 ARG X 481 7.665 -14.483 4.431 1.00 33.20 H new ATOM 0 HD3 ARG X 481 6.288 -13.738 5.218 1.00 33.20 H new ATOM 0 HE ARG X 481 5.543 -14.582 2.567 1.00 11.02 H new ATOM 0 HH11 ARG X 481 6.314 -15.811 5.786 1.00 64.23 H new ATOM 0 HH12 ARG X 481 5.324 -17.262 5.593 1.00 64.23 H new ATOM 0 HH21 ARG X 481 4.274 -16.447 2.330 1.00 54.34 H new ATOM 0 HH22 ARG X 481 4.175 -17.621 3.646 1.00 54.34 H new ATOM 832 N GLN X 482 7.192 -8.700 4.259 1.00 43.45 N ATOM 833 CA GLN X 482 6.284 -7.569 4.104 1.00 74.43 C ATOM 834 C GLN X 482 6.876 -6.520 3.168 1.00 15.22 C ATOM 835 O GLN X 482 6.247 -6.122 2.188 1.00 24.12 O ATOM 836 CB GLN X 482 5.981 -6.942 5.466 1.00 61.30 C ATOM 837 CG GLN X 482 5.169 -7.842 6.383 1.00 11.44 C ATOM 838 CD GLN X 482 3.894 -8.343 5.731 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.763 -9.529 5.429 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.947 -7.438 5.510 1.00 62.51 N ATOM 0 H GLN X 482 7.526 -8.845 5.212 1.00 43.45 H new ATOM 0 HA GLN X 482 5.356 -7.937 3.666 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.921 -6.689 5.957 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.439 -6.008 5.314 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.779 -8.695 6.682 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.917 -7.296 7.292 1.00 11.44 H new ATOM 0 HE21 GLN X 482 3.099 -6.465 5.777 1.00 62.51 H new ATOM 0 HE22 GLN X 482 2.068 -7.716 5.073 1.00 62.51 H new ATOM 847 N LEU X 483 8.090 -6.077 3.478 1.00 30.43 N ATOM 848 CA LEU X 483 8.768 -5.073 2.665 1.00 23.25 C ATOM 849 C LEU X 483 8.807 -5.495 1.199 1.00 43.34 C ATOM 850 O LEU X 483 8.392 -4.745 0.316 1.00 12.42 O ATOM 851 CB LEU X 483 10.191 -4.848 3.179 1.00 32.11 C ATOM 852 CG LEU X 483 10.840 -3.517 2.795 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.177 -2.366 3.537 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.334 -3.550 3.083 1.00 65.25 C ATOM 0 H LEU X 483 8.624 -6.397 4.286 1.00 30.43 H new ATOM 0 HA LEU X 483 8.208 -4.141 2.742 1.00 23.25 H new ATOM 0 HB2 LEU X 483 10.180 -4.924 4.266 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.822 -5.657 2.810 1.00 32.11 H new ATOM 0 HG LEU X 483 10.700 -3.361 1.725 1.00 53.13 H new ATOM 0 HD11 LEU X 483 10.652 -1.427 3.251 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.118 -2.330 3.281 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.285 -2.515 4.611 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.780 -2.595 2.804 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.496 -3.729 4.146 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.798 -4.350 2.506 1.00 65.25 H new ATOM 865 N ASP X 484 9.303 -6.701 0.949 1.00 4.40 N ATOM 866 CA ASP X 484 9.393 -7.225 -0.409 1.00 74.33 C ATOM 867 C ASP X 484 8.033 -7.181 -1.098 1.00 23.13 C ATOM 868 O ASP X 484 7.924 -6.772 -2.255 1.00 2.41 O ATOM 869 CB ASP X 484 9.923 -8.659 -0.392 1.00 53.22 C ATOM 870 CG ASP X 484 10.229 -9.181 -1.782 1.00 43.05 C ATOM 871 OD1 ASP X 484 9.273 -9.463 -2.534 1.00 12.45 O ATOM 872 OD2 ASP X 484 11.425 -9.307 -2.119 1.00 13.14 O ATOM 0 H ASP X 484 9.649 -7.335 1.669 1.00 4.40 H new ATOM 0 HA ASP X 484 10.086 -6.597 -0.969 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.827 -8.702 0.216 1.00 53.22 H new ATOM 0 HB3 ASP X 484 9.188 -9.309 0.083 1.00 53.22 H new ATOM 876 N TYR X 485 6.998 -7.606 -0.382 1.00 62.24 N ATOM 877 CA TYR X 485 5.645 -7.619 -0.926 1.00 54.52 C ATOM 878 C TYR X 485 5.223 -6.222 -1.370 1.00 35.33 C ATOM 879 O TYR X 485 4.560 -6.057 -2.393 1.00 43.32 O ATOM 880 CB TYR X 485 4.660 -8.156 0.113 1.00 42.42 C ATOM 881 CG TYR X 485 3.319 -8.543 -0.468 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.160 -9.733 -1.168 1.00 11.33 C ATOM 883 CD2 TYR X 485 2.210 -7.721 -0.314 1.00 34.51 C ATOM 884 CE1 TYR X 485 1.937 -10.090 -1.701 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.982 -8.071 -0.842 1.00 35.54 C ATOM 886 CZ TYR X 485 0.851 -9.256 -1.535 1.00 72.11 C ATOM 887 OH TYR X 485 -0.370 -9.609 -2.062 1.00 32.54 O ATOM 0 H TYR X 485 7.070 -7.946 0.577 1.00 62.24 H new ATOM 0 HA TYR X 485 5.637 -8.275 -1.797 1.00 54.52 H new ATOM 0 HB2 TYR X 485 5.099 -9.025 0.602 1.00 42.42 H new ATOM 0 HB3 TYR X 485 4.508 -7.399 0.883 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.007 -10.390 -1.297 1.00 11.33 H new ATOM 0 HD2 TYR X 485 2.309 -6.792 0.228 1.00 34.51 H new ATOM 0 HE1 TYR X 485 1.832 -11.017 -2.245 1.00 52.30 H new ATOM 0 HE2 TYR X 485 0.130 -7.420 -0.713 1.00 35.54 H new ATOM 0 HH TYR X 485 -1.072 -9.053 -1.663 1.00 32.54 H new ATOM 896 N ARG X 486 5.614 -5.218 -0.591 1.00 30.20 N ATOM 897 CA ARG X 486 5.276 -3.834 -0.902 1.00 23.23 C ATOM 898 C ARG X 486 6.102 -3.324 -2.080 1.00 23.24 C ATOM 899 O ARG X 486 5.577 -2.671 -2.982 1.00 73.10 O ATOM 900 CB ARG X 486 5.508 -2.944 0.321 1.00 32.34 C ATOM 901 CG ARG X 486 4.907 -3.499 1.601 1.00 43.42 C ATOM 902 CD ARG X 486 3.632 -2.763 1.983 1.00 11.40 C ATOM 903 NE ARG X 486 2.673 -2.721 0.882 1.00 15.11 N ATOM 904 CZ ARG X 486 1.372 -2.517 1.049 1.00 21.53 C ATOM 905 NH1 ARG X 486 0.875 -2.338 2.265 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.563 -2.492 -0.003 1.00 1.14 N ATOM 0 H ARG X 486 6.165 -5.337 0.259 1.00 30.20 H new ATOM 0 HA ARG X 486 4.222 -3.796 -1.177 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.580 -2.808 0.462 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.084 -1.958 0.128 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.692 -4.560 1.473 1.00 43.42 H new ATOM 0 HG3 ARG X 486 5.632 -3.417 2.410 1.00 43.42 H new ATOM 0 HD2 ARG X 486 3.175 -3.252 2.843 1.00 11.40 H new ATOM 0 HD3 ARG X 486 3.878 -1.746 2.288 1.00 11.40 H new ATOM 0 HE ARG X 486 3.022 -2.856 -0.067 1.00 15.11 H new ATOM 0 HH11 ARG X 486 1.493 -2.357 3.076 1.00 34.32 H new ATOM 0 HH12 ARG X 486 -0.125 -2.182 2.389 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.941 -2.630 -0.940 1.00 1.14 H new ATOM 0 HH22 ARG X 486 -0.437 -2.335 0.126 1.00 1.14 H new ATOM 917 N ILE X 487 7.396 -3.626 -2.063 1.00 12.05 N ATOM 918 CA ILE X 487 8.293 -3.200 -3.129 1.00 10.12 C ATOM 919 C ILE X 487 7.790 -3.666 -4.492 1.00 62.30 C ATOM 920 O ILE X 487 7.814 -2.915 -5.466 1.00 15.43 O ATOM 921 CB ILE X 487 9.720 -3.735 -2.912 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.338 -3.107 -1.660 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.584 -3.453 -4.133 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.379 -1.596 -1.699 1.00 35.13 C ATOM 0 H ILE X 487 7.846 -4.164 -1.323 1.00 12.05 H new ATOM 0 HA ILE X 487 8.314 -2.110 -3.105 1.00 10.12 H new ATOM 0 HB ILE X 487 9.669 -4.814 -2.769 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.769 -3.424 -0.786 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.352 -3.487 -1.536 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.590 -3.837 -3.964 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.151 -3.942 -5.006 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.631 -2.378 -4.305 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.829 -1.220 -0.780 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.972 -1.270 -2.553 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.365 -1.207 -1.792 1.00 35.13 H new ATOM 935 N LYS X 488 7.332 -4.912 -4.552 1.00 1.41 N ATOM 936 CA LYS X 488 6.819 -5.480 -5.792 1.00 43.53 C ATOM 937 C LYS X 488 5.442 -4.912 -6.123 1.00 53.44 C ATOM 938 O LYS X 488 5.098 -4.728 -7.291 1.00 72.22 O ATOM 939 CB LYS X 488 6.741 -7.005 -5.686 1.00 2.51 C ATOM 940 CG LYS X 488 5.783 -7.491 -4.612 1.00 3.34 C ATOM 941 CD LYS X 488 5.677 -9.007 -4.604 1.00 3.43 C ATOM 942 CE LYS X 488 4.725 -9.505 -5.681 1.00 41.43 C ATOM 943 NZ LYS X 488 5.433 -9.789 -6.960 1.00 22.33 N ATOM 0 H LYS X 488 7.306 -5.548 -3.755 1.00 1.41 H new ATOM 0 HA LYS X 488 7.506 -5.212 -6.595 1.00 43.53 H new ATOM 0 HB2 LYS X 488 6.432 -7.413 -6.649 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.736 -7.398 -5.478 1.00 2.51 H new ATOM 0 HG2 LYS X 488 6.123 -7.144 -3.636 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.797 -7.057 -4.779 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.664 -9.443 -4.760 1.00 3.43 H new ATOM 0 HD3 LYS X 488 5.331 -9.343 -3.627 1.00 3.43 H new ATOM 0 HE2 LYS X 488 4.226 -10.410 -5.334 1.00 41.43 H new ATOM 0 HE3 LYS X 488 3.949 -8.759 -5.853 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 5.029 -9.203 -7.718 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 6.444 -9.569 -6.854 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 5.322 -10.794 -7.203 1.00 22.33 H new ATOM 953 N LYS X 489 4.658 -4.635 -5.086 1.00 24.34 N ATOM 954 CA LYS X 489 3.319 -4.085 -5.266 1.00 21.32 C ATOM 955 C LYS X 489 3.385 -2.653 -5.789 1.00 63.33 C ATOM 956 O LYS X 489 2.623 -2.273 -6.679 1.00 53.33 O ATOM 957 CB LYS X 489 2.549 -4.121 -3.944 1.00 54.52 C ATOM 958 CG LYS X 489 1.446 -5.165 -3.910 1.00 54.51 C ATOM 959 CD LYS X 489 2.009 -6.573 -3.999 1.00 14.12 C ATOM 960 CE LYS X 489 0.990 -7.546 -4.573 1.00 62.31 C ATOM 961 NZ LYS X 489 -0.316 -7.465 -3.861 1.00 3.10 N ATOM 0 H LYS X 489 4.926 -4.782 -4.113 1.00 24.34 H new ATOM 0 HA LYS X 489 2.797 -4.698 -6.001 1.00 21.32 H new ATOM 0 HB2 LYS X 489 3.248 -4.317 -3.131 1.00 54.52 H new ATOM 0 HB3 LYS X 489 2.114 -3.139 -3.760 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.872 -5.059 -2.990 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.757 -4.995 -4.737 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.902 -6.570 -4.623 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.314 -6.907 -3.007 1.00 14.12 H new ATOM 0 HE2 LYS X 489 0.840 -7.333 -5.631 1.00 62.31 H new ATOM 0 HE3 LYS X 489 1.379 -8.562 -4.504 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -1.079 -7.771 -4.499 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.295 -8.083 -3.025 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 -0.488 -6.484 -3.562 1.00 3.10 H new ATOM 971 N TYR X 490 4.298 -1.866 -5.232 1.00 63.10 N ATOM 972 CA TYR X 490 4.462 -0.477 -5.642 1.00 65.13 C ATOM 973 C TYR X 490 5.544 -0.348 -6.710 1.00 43.30 C ATOM 974 O TYR X 490 5.826 0.747 -7.195 1.00 45.35 O ATOM 975 CB TYR X 490 4.813 0.395 -4.436 1.00 31.24 C ATOM 976 CG TYR X 490 3.702 0.492 -3.415 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.558 1.236 -3.673 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.797 -0.161 -2.192 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.541 1.328 -2.742 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.785 -0.077 -1.256 1.00 30.22 C ATOM 981 CZ TYR X 490 1.658 0.669 -1.536 1.00 51.31 C ATOM 982 OH TYR X 490 0.649 0.757 -0.606 1.00 54.23 O ATOM 0 H TYR X 490 4.936 -2.166 -4.495 1.00 63.10 H new ATOM 0 HA TYR X 490 3.517 -0.136 -6.065 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.704 -0.008 -3.954 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.064 1.397 -4.784 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.462 1.751 -4.617 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.678 -0.745 -1.969 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.659 1.913 -2.958 1.00 71.23 H new ATOM 0 HE2 TYR X 490 2.875 -0.592 -0.311 1.00 30.22 H new ATOM 0 HH TYR X 490 0.769 0.061 0.074 1.00 54.23 H new ATOM 991 N GLY X 491 6.148 -1.476 -7.072 1.00 12.33 N ATOM 992 CA GLY X 491 7.192 -1.469 -8.079 1.00 73.13 C ATOM 993 C GLY X 491 8.276 -0.453 -7.783 1.00 70.25 C ATOM 994 O GLY X 491 8.717 0.273 -8.675 1.00 25.21 O ATOM 0 H GLY X 491 5.932 -2.395 -6.685 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.637 -2.462 -8.143 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.752 -1.253 -9.053 1.00 73.13 H new ATOM 998 N ILE X 492 8.707 -0.398 -6.527 1.00 33.34 N ATOM 999 CA ILE X 492 9.746 0.538 -6.116 1.00 12.35 C ATOM 1000 C ILE X 492 11.121 0.073 -6.585 1.00 73.33 C ATOM 1001 O ILE X 492 11.352 -1.120 -6.775 1.00 45.43 O ATOM 1002 CB ILE X 492 9.771 0.716 -4.587 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.351 0.906 -4.051 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.649 1.898 -4.205 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.285 1.032 -2.545 1.00 21.21 C ATOM 0 H ILE X 492 8.353 -0.991 -5.776 1.00 33.34 H new ATOM 0 HA ILE X 492 9.510 1.495 -6.581 1.00 12.35 H new ATOM 0 HB ILE X 492 10.192 -0.184 -4.138 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.918 1.799 -4.501 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.737 0.061 -4.364 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.656 2.011 -3.121 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.665 1.725 -4.559 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.255 2.806 -4.661 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.248 1.164 -2.236 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.688 0.129 -2.086 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.871 1.894 -2.226 1.00 21.21 H new ATOM 1016 N GLU X 493 12.031 1.025 -6.767 1.00 41.10 N ATOM 1017 CA GLU X 493 13.384 0.712 -7.212 1.00 52.04 C ATOM 1018 C GLU X 493 14.369 0.779 -6.049 1.00 43.33 C ATOM 1019 O GLU X 493 14.065 1.340 -4.995 1.00 63.45 O ATOM 1020 CB GLU X 493 13.818 1.679 -8.318 1.00 63.11 C ATOM 1021 CG GLU X 493 12.925 1.636 -9.547 1.00 11.52 C ATOM 1022 CD GLU X 493 12.994 2.913 -10.361 1.00 74.15 C ATOM 1023 OE1 GLU X 493 13.978 3.666 -10.204 1.00 62.13 O ATOM 1024 OE2 GLU X 493 12.063 3.160 -11.157 1.00 70.23 O ATOM 0 H GLU X 493 11.856 2.018 -6.613 1.00 41.10 H new ATOM 0 HA GLU X 493 13.383 -0.304 -7.607 1.00 52.04 H new ATOM 0 HB2 GLU X 493 13.826 2.694 -7.920 1.00 63.11 H new ATOM 0 HB3 GLU X 493 14.841 1.445 -8.614 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.216 0.793 -10.174 1.00 11.52 H new ATOM 0 HG3 GLU X 493 11.895 1.462 -9.237 1.00 11.52 H new