USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 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: A 464 ASN : amide:sc= 0.233 K(o=0.23,f=-5.9!) USER MOD Set 1.2: A 466 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 421 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 440 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.5) USER MOD Single : A 426 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.01) USER MOD Single : A 429 LYS NZ :NH3+ -95:sc= 1.29 (180deg=-0.0119) USER MOD Single : A 436 THR OG1 : rot -55:sc= 0.318 USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ 138:sc= 0.272 (180deg=-0.84!) USER MOD Single : A 454 THR OG1 : rot -44:sc= 0.808 USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl 171:sc= -6.51! (180deg=-6.92!) USER MOD Single : A 471 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.15) USER MOD Single : A 476 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl -169:sc= -0.388 (180deg=-0.616) USER MOD Single : A 482 THR OG1 : rot -90:sc= 0.808 USER MOD Single : A 485 HIS : no HD1:sc= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 489 GLN : amide:sc= -0.431! X(o=-0.43!,f=-0.028) USER MOD Single : A 495 MET CE :methyl -163:sc= -0.0818 (180deg=-0.468) USER MOD Single : A 501 LYS NZ :NH3+ -130:sc= -0.429 (180deg=-2.37!) USER MOD Single : A 502 LYS NZ :NH3+ 146:sc= 1.08 (180deg=-0.786!) USER MOD Single : A 505 GLN : amide:sc= 0.0706 K(o=0.071,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 470 N VAL A 419 -9.140 0.351 -1.068 1.00 0.00 N ATOM 471 CA VAL A 419 -8.004 -0.498 -1.337 1.00 0.00 C ATOM 472 C VAL A 419 -7.200 0.137 -2.446 1.00 0.00 C ATOM 473 O VAL A 419 -7.743 0.905 -3.237 1.00 0.00 O ATOM 474 CB VAL A 419 -8.379 -1.965 -1.751 1.00 0.00 C ATOM 475 CG1 VAL A 419 -8.963 -2.746 -0.594 1.00 0.00 C ATOM 476 CG2 VAL A 419 -9.340 -1.968 -2.909 1.00 0.00 C ATOM 0 HA VAL A 419 -7.440 -0.583 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 419 -7.454 -2.455 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 419 -9.209 -3.756 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 419 -8.235 -2.796 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 419 -9.867 -2.250 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 419 -9.584 -2.996 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 419 -10.251 -1.440 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 419 -8.882 -1.470 -3.763 1.00 0.00 H new ATOM 486 N GLY A 420 -5.946 -0.171 -2.498 1.00 0.00 N ATOM 487 CA GLY A 420 -5.087 0.357 -3.518 1.00 0.00 C ATOM 488 C GLY A 420 -4.544 -0.755 -4.358 1.00 0.00 C ATOM 489 O GLY A 420 -4.808 -1.926 -4.069 1.00 0.00 O ATOM 0 H GLY A 420 -5.484 -0.795 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 420 -5.640 1.059 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 420 -4.267 0.913 -3.063 1.00 0.00 H new ATOM 493 N THR A 421 -3.767 -0.426 -5.347 1.00 0.00 N ATOM 494 CA THR A 421 -3.231 -1.422 -6.232 1.00 0.00 C ATOM 495 C THR A 421 -1.696 -1.354 -6.218 1.00 0.00 C ATOM 496 O THR A 421 -1.105 -0.253 -6.149 1.00 0.00 O ATOM 497 CB THR A 421 -3.738 -1.186 -7.664 1.00 0.00 C ATOM 498 OG1 THR A 421 -5.122 -0.773 -7.618 1.00 0.00 O ATOM 499 CG2 THR A 421 -3.644 -2.473 -8.475 1.00 0.00 C ATOM 0 H THR A 421 -3.488 0.531 -5.564 1.00 0.00 H new ATOM 0 HA THR A 421 -3.558 -2.406 -5.894 1.00 0.00 H new ATOM 0 HB THR A 421 -3.125 -0.415 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 421 -5.448 -0.620 -8.529 1.00 0.00 H new ATOM 0 HG21 THR A 421 -4.006 -2.293 -9.487 1.00 0.00 H new ATOM 0 HG22 THR A 421 -2.606 -2.803 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 421 -4.253 -3.245 -8.004 1.00 0.00 H new ATOM 507 N VAL A 422 -1.062 -2.504 -6.217 1.00 0.00 N ATOM 508 CA VAL A 422 0.385 -2.588 -6.260 1.00 0.00 C ATOM 509 C VAL A 422 0.826 -2.453 -7.709 1.00 0.00 C ATOM 510 O VAL A 422 0.247 -3.086 -8.582 1.00 0.00 O ATOM 511 CB VAL A 422 0.894 -3.945 -5.707 1.00 0.00 C ATOM 512 CG1 VAL A 422 2.411 -4.000 -5.705 1.00 0.00 C ATOM 513 CG2 VAL A 422 0.349 -4.217 -4.315 1.00 0.00 C ATOM 0 H VAL A 422 -1.532 -3.409 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 422 0.800 -1.793 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 422 0.524 -4.726 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 422 2.740 -4.962 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.781 -3.878 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.803 -3.199 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 422 0.725 -5.176 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 422 0.670 -3.426 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -0.740 -4.245 -4.350 1.00 0.00 H new ATOM 523 N ILE A 423 1.840 -1.658 -7.969 1.00 0.00 N ATOM 524 CA ILE A 423 2.279 -1.452 -9.336 1.00 0.00 C ATOM 525 C ILE A 423 3.398 -2.401 -9.720 1.00 0.00 C ATOM 526 O ILE A 423 3.452 -2.881 -10.851 1.00 0.00 O ATOM 527 CB ILE A 423 2.641 0.019 -9.642 1.00 0.00 C ATOM 528 CG1 ILE A 423 3.692 0.568 -8.669 1.00 0.00 C ATOM 529 CG2 ILE A 423 1.386 0.883 -9.644 1.00 0.00 C ATOM 530 CD1 ILE A 423 3.973 2.054 -8.829 1.00 0.00 C ATOM 0 H ILE A 423 2.372 -1.148 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 423 1.421 -1.688 -9.966 1.00 0.00 H new ATOM 0 HB ILE A 423 3.087 0.051 -10.636 1.00 0.00 H new ATOM 0 HG12 ILE A 423 3.359 0.380 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 423 4.622 0.017 -8.807 1.00 0.00 H new ATOM 0 HG21 ILE A 423 1.656 1.916 -9.861 1.00 0.00 H new ATOM 0 HG22 ILE A 423 0.696 0.521 -10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 423 0.907 0.831 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 423 4.727 2.362 -8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 423 4.338 2.249 -9.837 1.00 0.00 H new ATOM 0 HD13 ILE A 423 3.056 2.618 -8.660 1.00 0.00 H new ATOM 542 N GLU A 424 4.281 -2.677 -8.790 1.00 0.00 N ATOM 543 CA GLU A 424 5.334 -3.652 -8.994 1.00 0.00 C ATOM 544 C GLU A 424 5.815 -4.177 -7.661 1.00 0.00 C ATOM 545 O GLU A 424 5.795 -3.456 -6.670 1.00 0.00 O ATOM 546 CB GLU A 424 6.503 -3.099 -9.811 1.00 0.00 C ATOM 547 CG GLU A 424 7.199 -1.912 -9.202 1.00 0.00 C ATOM 548 CD GLU A 424 8.439 -1.551 -9.954 1.00 0.00 C ATOM 549 OE1 GLU A 424 9.420 -2.325 -9.902 1.00 0.00 O ATOM 550 OE2 GLU A 424 8.458 -0.514 -10.637 1.00 0.00 O ATOM 0 H GLU A 424 4.293 -2.235 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 424 4.910 -4.470 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 424 7.234 -3.895 -9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.136 -2.819 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.520 -1.059 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.454 -2.132 -8.165 1.00 0.00 H new ATOM 557 N ALA A 425 6.233 -5.410 -7.625 1.00 0.00 N ATOM 558 CA ALA A 425 6.682 -6.018 -6.396 1.00 0.00 C ATOM 559 C ALA A 425 7.704 -7.085 -6.691 1.00 0.00 C ATOM 560 O ALA A 425 7.515 -7.889 -7.610 1.00 0.00 O ATOM 561 CB ALA A 425 5.510 -6.603 -5.646 1.00 0.00 C ATOM 0 H ALA A 425 6.274 -6.023 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 425 7.146 -5.254 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 425 5.861 -7.059 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 425 4.796 -5.813 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 425 5.025 -7.360 -6.262 1.00 0.00 H new ATOM 567 N LYS A 426 8.766 -7.120 -5.913 1.00 0.00 N ATOM 568 CA LYS A 426 9.857 -8.051 -6.151 1.00 0.00 C ATOM 569 C LYS A 426 10.745 -8.102 -4.912 1.00 0.00 C ATOM 570 O LYS A 426 10.511 -7.367 -3.942 1.00 0.00 O ATOM 571 CB LYS A 426 10.703 -7.617 -7.393 1.00 0.00 C ATOM 572 CG LYS A 426 11.807 -6.575 -7.121 1.00 0.00 C ATOM 573 CD LYS A 426 11.281 -5.252 -6.538 1.00 0.00 C ATOM 574 CE LYS A 426 10.400 -4.462 -7.500 1.00 0.00 C ATOM 575 NZ LYS A 426 11.164 -3.860 -8.607 1.00 0.00 N ATOM 0 H LYS A 426 8.900 -6.512 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 426 9.441 -9.038 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 426 11.166 -8.506 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 426 10.027 -7.214 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 426 12.535 -7.002 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 426 12.335 -6.367 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 426 10.713 -5.465 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 426 12.129 -4.633 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 426 9.634 -5.121 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 426 9.884 -3.675 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 10.601 -3.104 -9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 12.052 -3.462 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 11.379 -4.589 -9.317 1.00 0.00 H new ATOM 589 N LEU A 427 11.731 -8.941 -4.927 1.00 0.00 N ATOM 590 CA LEU A 427 12.658 -9.000 -3.836 1.00 0.00 C ATOM 591 C LEU A 427 13.823 -8.076 -4.105 1.00 0.00 C ATOM 592 O LEU A 427 14.208 -7.850 -5.271 1.00 0.00 O ATOM 593 CB LEU A 427 13.195 -10.425 -3.633 1.00 0.00 C ATOM 594 CG LEU A 427 14.453 -10.870 -4.452 1.00 0.00 C ATOM 595 CD1 LEU A 427 14.919 -12.232 -3.976 1.00 0.00 C ATOM 596 CD2 LEU A 427 14.147 -10.941 -5.943 1.00 0.00 C ATOM 0 H LEU A 427 11.918 -9.598 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 427 12.129 -8.693 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 427 13.428 -10.544 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 427 12.387 -11.120 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 427 15.236 -10.128 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 427 15.795 -12.538 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 427 15.178 -12.179 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 427 14.120 -12.960 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 427 15.041 -11.253 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 427 13.348 -11.662 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 427 13.833 -9.959 -6.297 1.00 0.00 H new ATOM 608 N ASP A 428 14.334 -7.502 -3.080 1.00 0.00 N ATOM 609 CA ASP A 428 15.569 -6.808 -3.172 1.00 0.00 C ATOM 610 C ASP A 428 16.472 -7.339 -2.092 1.00 0.00 C ATOM 611 O ASP A 428 16.112 -7.320 -0.922 1.00 0.00 O ATOM 612 CB ASP A 428 15.424 -5.306 -3.046 1.00 0.00 C ATOM 613 CG ASP A 428 16.742 -4.644 -3.293 1.00 0.00 C ATOM 614 OD1 ASP A 428 17.067 -4.360 -4.445 1.00 0.00 O ATOM 615 OD2 ASP A 428 17.511 -4.458 -2.347 1.00 0.00 O ATOM 0 H ASP A 428 13.910 -7.498 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 428 15.988 -6.980 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 428 14.685 -4.942 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 428 15.059 -5.049 -2.051 1.00 0.00 H new ATOM 620 N LYS A 429 17.619 -7.834 -2.475 1.00 0.00 N ATOM 621 CA LYS A 429 18.573 -8.434 -1.532 1.00 0.00 C ATOM 622 C LYS A 429 19.167 -7.437 -0.501 1.00 0.00 C ATOM 623 O LYS A 429 19.782 -7.854 0.484 1.00 0.00 O ATOM 624 CB LYS A 429 19.705 -9.184 -2.265 1.00 0.00 C ATOM 625 CG LYS A 429 20.791 -8.342 -2.997 1.00 0.00 C ATOM 626 CD LYS A 429 20.330 -7.587 -4.261 1.00 0.00 C ATOM 627 CE LYS A 429 19.789 -6.198 -3.959 1.00 0.00 C ATOM 628 NZ LYS A 429 19.488 -5.416 -5.180 1.00 0.00 N ATOM 0 H LYS A 429 17.934 -7.841 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 429 17.982 -9.149 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 429 20.210 -9.818 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 429 19.245 -9.845 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 429 21.194 -7.615 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 429 21.610 -9.006 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 429 21.168 -7.502 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 429 19.559 -8.170 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 429 18.883 -6.289 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 429 20.516 -5.654 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 20.302 -4.813 -5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 19.298 -6.065 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 18.652 -4.820 -5.013 1.00 0.00 H new ATOM 642 N GLY A 430 18.988 -6.150 -0.729 1.00 0.00 N ATOM 643 CA GLY A 430 19.531 -5.162 0.178 1.00 0.00 C ATOM 644 C GLY A 430 18.454 -4.455 0.973 1.00 0.00 C ATOM 645 O GLY A 430 18.570 -4.296 2.187 1.00 0.00 O ATOM 0 H GLY A 430 18.477 -5.769 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 430 20.227 -5.646 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 430 20.102 -4.427 -0.389 1.00 0.00 H new ATOM 649 N ARG A 431 17.398 -4.035 0.297 1.00 0.00 N ATOM 650 CA ARG A 431 16.305 -3.313 0.953 1.00 0.00 C ATOM 651 C ARG A 431 15.427 -4.295 1.709 1.00 0.00 C ATOM 652 O ARG A 431 14.971 -4.022 2.819 1.00 0.00 O ATOM 653 CB ARG A 431 15.413 -2.613 -0.077 1.00 0.00 C ATOM 654 CG ARG A 431 16.129 -1.786 -1.122 1.00 0.00 C ATOM 655 CD ARG A 431 15.136 -1.264 -2.142 1.00 0.00 C ATOM 656 NE ARG A 431 15.786 -0.834 -3.375 1.00 0.00 N ATOM 657 CZ ARG A 431 15.170 -0.694 -4.555 1.00 0.00 C ATOM 658 NH1 ARG A 431 13.841 -0.722 -4.639 1.00 0.00 N ATOM 659 NH2 ARG A 431 15.884 -0.488 -5.653 1.00 0.00 N ATOM 0 H ARG A 431 17.268 -4.178 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 431 16.751 -2.578 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 431 14.818 -3.370 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 431 14.716 -1.965 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 431 16.646 -0.953 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 431 16.888 -2.391 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 431 14.408 -2.043 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 431 14.584 -0.427 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 431 16.783 -0.625 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 431 13.279 -0.851 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 431 13.385 -0.614 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 431 16.901 -0.436 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 431 15.416 -0.381 -6.553 1.00 0.00 H new ATOM 673 N GLY A 432 15.196 -5.426 1.087 1.00 0.00 N ATOM 674 CA GLY A 432 14.303 -6.426 1.602 1.00 0.00 C ATOM 675 C GLY A 432 13.221 -6.677 0.578 1.00 0.00 C ATOM 676 O GLY A 432 13.326 -6.160 -0.537 1.00 0.00 O ATOM 0 H GLY A 432 15.630 -5.677 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 432 14.847 -7.347 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 432 13.864 -6.093 2.543 1.00 0.00 H new ATOM 680 N PRO A 433 12.225 -7.522 0.861 1.00 0.00 N ATOM 681 CA PRO A 433 11.054 -7.673 -0.016 1.00 0.00 C ATOM 682 C PRO A 433 10.339 -6.320 -0.152 1.00 0.00 C ATOM 683 O PRO A 433 9.819 -5.782 0.840 1.00 0.00 O ATOM 684 CB PRO A 433 10.181 -8.666 0.769 1.00 0.00 C ATOM 685 CG PRO A 433 11.160 -9.455 1.540 1.00 0.00 C ATOM 686 CD PRO A 433 12.177 -8.448 1.998 1.00 0.00 C ATOM 0 HA PRO A 433 11.289 -8.008 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 433 9.477 -8.151 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 433 9.593 -9.297 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 433 10.689 -9.956 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 433 11.618 -10.230 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 433 11.871 -7.949 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 433 13.147 -8.907 2.191 1.00 0.00 H new ATOM 694 N VAL A 434 10.309 -5.784 -1.353 1.00 0.00 N ATOM 695 CA VAL A 434 9.784 -4.452 -1.582 1.00 0.00 C ATOM 696 C VAL A 434 8.633 -4.450 -2.579 1.00 0.00 C ATOM 697 O VAL A 434 8.595 -5.258 -3.530 1.00 0.00 O ATOM 698 CB VAL A 434 10.891 -3.460 -2.063 1.00 0.00 C ATOM 699 CG1 VAL A 434 11.933 -3.246 -0.994 1.00 0.00 C ATOM 700 CG2 VAL A 434 11.562 -3.943 -3.335 1.00 0.00 C ATOM 0 H VAL A 434 10.645 -6.254 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 434 9.407 -4.113 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 434 10.395 -2.512 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 434 12.690 -2.551 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 434 11.460 -2.834 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 434 12.403 -4.198 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 434 12.326 -3.227 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 434 12.025 -4.913 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 434 10.818 -4.036 -4.126 1.00 0.00 H new ATOM 710 N ALA A 435 7.706 -3.557 -2.365 1.00 0.00 N ATOM 711 CA ALA A 435 6.562 -3.425 -3.224 1.00 0.00 C ATOM 712 C ALA A 435 6.270 -1.970 -3.484 1.00 0.00 C ATOM 713 O ALA A 435 6.022 -1.205 -2.546 1.00 0.00 O ATOM 714 CB ALA A 435 5.347 -4.084 -2.595 1.00 0.00 C ATOM 0 H ALA A 435 7.723 -2.898 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 435 6.784 -3.920 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 435 4.489 -3.975 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 435 5.549 -5.143 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 435 5.129 -3.608 -1.639 1.00 0.00 H new ATOM 720 N THR A 436 6.326 -1.579 -4.728 1.00 0.00 N ATOM 721 CA THR A 436 5.986 -0.251 -5.104 1.00 0.00 C ATOM 722 C THR A 436 4.490 -0.274 -5.359 1.00 0.00 C ATOM 723 O THR A 436 3.997 -1.103 -6.143 1.00 0.00 O ATOM 724 CB THR A 436 6.720 0.176 -6.387 1.00 0.00 C ATOM 725 OG1 THR A 436 8.071 -0.355 -6.369 1.00 0.00 O ATOM 726 CG2 THR A 436 6.813 1.698 -6.439 1.00 0.00 C ATOM 0 H THR A 436 6.610 -2.179 -5.503 1.00 0.00 H new ATOM 0 HA THR A 436 6.270 0.458 -4.326 1.00 0.00 H new ATOM 0 HB THR A 436 6.173 -0.201 -7.251 1.00 0.00 H new ATOM 0 HG1 THR A 436 8.526 -0.065 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 436 7.333 2.000 -7.348 1.00 0.00 H new ATOM 0 HG22 THR A 436 5.810 2.124 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 436 7.363 2.059 -5.570 1.00 0.00 H new ATOM 734 N LEU A 437 3.770 0.566 -4.714 1.00 0.00 N ATOM 735 CA LEU A 437 2.347 0.507 -4.788 1.00 0.00 C ATOM 736 C LEU A 437 1.763 1.900 -4.817 1.00 0.00 C ATOM 737 O LEU A 437 2.480 2.887 -4.579 1.00 0.00 O ATOM 738 CB LEU A 437 1.798 -0.328 -3.595 1.00 0.00 C ATOM 739 CG LEU A 437 1.736 0.310 -2.173 1.00 0.00 C ATOM 740 CD1 LEU A 437 1.405 -0.740 -1.137 1.00 0.00 C ATOM 741 CD2 LEU A 437 2.993 1.048 -1.778 1.00 0.00 C ATOM 0 H LEU A 437 4.140 1.310 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 437 2.048 0.013 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 437 0.788 -0.644 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 437 2.405 -1.230 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 437 0.943 1.057 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 437 1.366 -0.278 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 437 0.438 -1.186 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.173 -1.514 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.872 1.463 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 437 3.837 0.359 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.178 1.856 -2.486 1.00 0.00 H new ATOM 753 N LEU A 438 0.502 1.993 -5.124 1.00 0.00 N ATOM 754 CA LEU A 438 -0.154 3.259 -5.144 1.00 0.00 C ATOM 755 C LEU A 438 -1.255 3.219 -4.093 1.00 0.00 C ATOM 756 O LEU A 438 -2.284 2.544 -4.271 1.00 0.00 O ATOM 757 CB LEU A 438 -0.708 3.531 -6.568 1.00 0.00 C ATOM 758 CG LEU A 438 -1.090 4.988 -6.941 1.00 0.00 C ATOM 759 CD1 LEU A 438 -2.259 5.516 -6.132 1.00 0.00 C ATOM 760 CD2 LEU A 438 0.116 5.902 -6.796 1.00 0.00 C ATOM 0 H LEU A 438 -0.092 1.200 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 438 0.530 4.074 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 438 0.037 3.188 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -1.593 2.909 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 438 -1.412 4.975 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -2.480 6.539 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -3.134 4.889 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -2.005 5.500 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -0.166 6.921 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 438 0.468 5.879 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 438 0.912 5.562 -7.459 1.00 0.00 H new ATOM 772 N VAL A 439 -1.021 3.900 -2.991 1.00 0.00 N ATOM 773 CA VAL A 439 -1.966 3.940 -1.895 1.00 0.00 C ATOM 774 C VAL A 439 -3.202 4.756 -2.252 1.00 0.00 C ATOM 775 O VAL A 439 -3.122 5.941 -2.618 1.00 0.00 O ATOM 776 CB VAL A 439 -1.311 4.400 -0.548 1.00 0.00 C ATOM 777 CG1 VAL A 439 -0.573 5.719 -0.690 1.00 0.00 C ATOM 778 CG2 VAL A 439 -2.340 4.469 0.583 1.00 0.00 C ATOM 0 H VAL A 439 -0.171 4.441 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 439 -2.298 2.915 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 439 -0.573 3.642 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 439 -0.136 5.997 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.218 5.615 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 439 -1.270 6.494 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 439 -1.850 4.791 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 439 -3.122 5.181 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 439 -2.781 3.484 0.734 1.00 0.00 H new ATOM 788 N GLN A 440 -4.339 4.094 -2.179 1.00 0.00 N ATOM 789 CA GLN A 440 -5.604 4.699 -2.530 1.00 0.00 C ATOM 790 C GLN A 440 -6.546 4.641 -1.353 1.00 0.00 C ATOM 791 O GLN A 440 -7.452 5.442 -1.247 1.00 0.00 O ATOM 792 CB GLN A 440 -6.243 3.941 -3.699 1.00 0.00 C ATOM 793 CG GLN A 440 -5.444 3.956 -4.993 1.00 0.00 C ATOM 794 CD GLN A 440 -6.043 3.052 -6.057 1.00 0.00 C ATOM 795 OE1 GLN A 440 -7.243 2.823 -6.096 1.00 0.00 O ATOM 796 NE2 GLN A 440 -5.216 2.548 -6.934 1.00 0.00 N ATOM 0 H GLN A 440 -4.410 3.123 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 440 -5.423 5.736 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 440 -6.398 2.905 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 440 -7.227 4.367 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 440 -5.394 4.976 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 440 -4.421 3.642 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 440 -4.220 2.758 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 440 -5.567 1.945 -7.678 1.00 0.00 H new ATOM 805 N ALA A 441 -6.262 3.735 -0.427 1.00 0.00 N ATOM 806 CA ALA A 441 -7.179 3.422 0.640 1.00 0.00 C ATOM 807 C ALA A 441 -7.109 4.412 1.786 1.00 0.00 C ATOM 808 O ALA A 441 -7.983 4.435 2.661 1.00 0.00 O ATOM 809 CB ALA A 441 -6.920 2.014 1.111 1.00 0.00 C ATOM 0 H ALA A 441 -5.392 3.203 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 441 -8.194 3.498 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.609 1.768 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -7.068 1.320 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.895 1.934 1.472 1.00 0.00 H new ATOM 815 N GLY A 442 -6.110 5.244 1.771 1.00 0.00 N ATOM 816 CA GLY A 442 -5.949 6.177 2.824 1.00 0.00 C ATOM 817 C GLY A 442 -4.591 6.786 2.822 1.00 0.00 C ATOM 818 O GLY A 442 -4.230 7.480 1.896 1.00 0.00 O ATOM 0 H GLY A 442 -5.401 5.289 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 442 -6.699 6.962 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 442 -6.123 5.681 3.779 1.00 0.00 H new ATOM 822 N THR A 443 -3.821 6.461 3.803 1.00 0.00 N ATOM 823 CA THR A 443 -2.527 7.063 4.002 1.00 0.00 C ATOM 824 C THR A 443 -1.549 5.963 4.375 1.00 0.00 C ATOM 825 O THR A 443 -1.870 5.115 5.190 1.00 0.00 O ATOM 826 CB THR A 443 -2.617 8.108 5.150 1.00 0.00 C ATOM 827 OG1 THR A 443 -3.723 9.004 4.889 1.00 0.00 O ATOM 828 CG2 THR A 443 -1.334 8.923 5.271 1.00 0.00 C ATOM 0 H THR A 443 -4.066 5.762 4.504 1.00 0.00 H new ATOM 0 HA THR A 443 -2.193 7.567 3.095 1.00 0.00 H new ATOM 0 HB THR A 443 -2.768 7.571 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 443 -3.786 9.665 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 443 -1.435 9.642 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 443 -0.497 8.256 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 443 -1.151 9.454 4.337 1.00 0.00 H new ATOM 836 N LEU A 444 -0.394 5.954 3.764 1.00 0.00 N ATOM 837 CA LEU A 444 0.571 4.929 4.039 1.00 0.00 C ATOM 838 C LEU A 444 1.621 5.475 4.966 1.00 0.00 C ATOM 839 O LEU A 444 2.345 6.402 4.622 1.00 0.00 O ATOM 840 CB LEU A 444 1.206 4.411 2.747 1.00 0.00 C ATOM 841 CG LEU A 444 1.053 2.905 2.478 1.00 0.00 C ATOM 842 CD1 LEU A 444 1.627 2.571 1.136 1.00 0.00 C ATOM 843 CD2 LEU A 444 1.747 2.075 3.549 1.00 0.00 C ATOM 0 H LEU A 444 -0.101 6.645 3.074 1.00 0.00 H new ATOM 0 HA LEU A 444 0.069 4.087 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 444 0.772 4.956 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 444 2.269 4.650 2.767 1.00 0.00 H new ATOM 0 HG LEU A 444 -0.010 2.666 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 444 1.517 1.503 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 444 1.098 3.131 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 444 2.684 2.836 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 444 1.619 1.015 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 444 2.810 2.317 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 444 1.310 2.298 4.522 1.00 0.00 H new ATOM 855 N LYS A 445 1.691 4.927 6.130 1.00 0.00 N ATOM 856 CA LYS A 445 2.643 5.355 7.115 1.00 0.00 C ATOM 857 C LYS A 445 3.386 4.143 7.632 1.00 0.00 C ATOM 858 O LYS A 445 2.854 3.029 7.628 1.00 0.00 O ATOM 859 CB LYS A 445 1.919 6.032 8.269 1.00 0.00 C ATOM 860 CG LYS A 445 2.824 6.481 9.417 1.00 0.00 C ATOM 861 CD LYS A 445 2.094 6.476 10.752 1.00 0.00 C ATOM 862 CE LYS A 445 1.497 5.095 11.030 1.00 0.00 C ATOM 863 NZ LYS A 445 0.039 5.043 10.718 1.00 0.00 N ATOM 0 H LYS A 445 1.088 4.163 6.434 1.00 0.00 H new ATOM 0 HA LYS A 445 3.343 6.061 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.385 6.901 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.170 5.345 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 445 3.690 5.822 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 445 3.199 7.484 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 445 2.783 6.749 11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 445 1.303 7.226 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 445 2.022 4.347 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 445 1.653 4.837 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -0.181 4.148 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -0.507 5.103 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.212 5.841 10.100 1.00 0.00 H new ATOM 877 N VAL A 446 4.608 4.345 8.047 1.00 0.00 N ATOM 878 CA VAL A 446 5.382 3.286 8.613 1.00 0.00 C ATOM 879 C VAL A 446 4.862 2.896 9.992 1.00 0.00 C ATOM 880 O VAL A 446 4.428 3.747 10.779 1.00 0.00 O ATOM 881 CB VAL A 446 6.897 3.607 8.660 1.00 0.00 C ATOM 882 CG1 VAL A 446 7.431 3.826 7.264 1.00 0.00 C ATOM 883 CG2 VAL A 446 7.180 4.830 9.527 1.00 0.00 C ATOM 0 H VAL A 446 5.088 5.244 8.001 1.00 0.00 H new ATOM 0 HA VAL A 446 5.265 2.431 7.948 1.00 0.00 H new ATOM 0 HB VAL A 446 7.404 2.752 9.107 1.00 0.00 H new ATOM 0 HG11 VAL A 446 8.496 4.051 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 446 7.277 2.925 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 446 6.905 4.661 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 446 8.252 5.028 9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 446 6.656 5.694 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 446 6.835 4.643 10.544 1.00 0.00 H new ATOM 893 N GLY A 447 4.875 1.624 10.263 1.00 0.00 N ATOM 894 CA GLY A 447 4.402 1.123 11.521 1.00 0.00 C ATOM 895 C GLY A 447 2.925 0.838 11.489 1.00 0.00 C ATOM 896 O GLY A 447 2.314 0.548 12.519 1.00 0.00 O ATOM 0 H GLY A 447 5.212 0.906 9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 447 4.943 0.211 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 447 4.615 1.850 12.305 1.00 0.00 H new ATOM 900 N ASP A 448 2.348 0.913 10.320 1.00 0.00 N ATOM 901 CA ASP A 448 0.934 0.660 10.172 1.00 0.00 C ATOM 902 C ASP A 448 0.764 -0.755 9.628 1.00 0.00 C ATOM 903 O ASP A 448 1.468 -1.127 8.671 1.00 0.00 O ATOM 904 CB ASP A 448 0.325 1.668 9.194 1.00 0.00 C ATOM 905 CG ASP A 448 -1.138 1.917 9.456 1.00 0.00 C ATOM 906 OD1 ASP A 448 -1.990 1.115 9.065 1.00 0.00 O ATOM 907 OD2 ASP A 448 -1.454 2.946 10.100 1.00 0.00 O ATOM 0 H ASP A 448 2.833 1.147 9.454 1.00 0.00 H new ATOM 0 HA ASP A 448 0.429 0.761 11.132 1.00 0.00 H new ATOM 0 HB2 ASP A 448 0.868 2.610 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 448 0.451 1.302 8.175 1.00 0.00 H new ATOM 912 N PRO A 449 -0.067 -1.604 10.271 1.00 0.00 N ATOM 913 CA PRO A 449 -0.335 -2.949 9.780 1.00 0.00 C ATOM 914 C PRO A 449 -1.211 -2.928 8.543 1.00 0.00 C ATOM 915 O PRO A 449 -2.355 -2.455 8.564 1.00 0.00 O ATOM 916 CB PRO A 449 -1.067 -3.652 10.914 1.00 0.00 C ATOM 917 CG PRO A 449 -1.001 -2.720 12.082 1.00 0.00 C ATOM 918 CD PRO A 449 -0.778 -1.344 11.521 1.00 0.00 C ATOM 0 HA PRO A 449 0.590 -3.452 9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 449 -2.101 -3.863 10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 449 -0.598 -4.607 11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 449 -1.924 -2.758 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 449 -0.191 -3.000 12.756 1.00 0.00 H new ATOM 0 HD2 PRO A 449 -1.719 -0.822 11.348 1.00 0.00 H new ATOM 0 HD3 PRO A 449 -0.190 -0.724 12.197 1.00 0.00 H new ATOM 926 N ILE A 450 -0.695 -3.465 7.504 1.00 0.00 N ATOM 927 CA ILE A 450 -1.329 -3.456 6.216 1.00 0.00 C ATOM 928 C ILE A 450 -1.703 -4.873 5.798 1.00 0.00 C ATOM 929 O ILE A 450 -1.160 -5.848 6.331 1.00 0.00 O ATOM 930 CB ILE A 450 -0.375 -2.873 5.168 1.00 0.00 C ATOM 931 CG1 ILE A 450 0.964 -3.612 5.250 1.00 0.00 C ATOM 932 CG2 ILE A 450 -0.172 -1.380 5.419 1.00 0.00 C ATOM 933 CD1 ILE A 450 1.853 -3.414 4.066 1.00 0.00 C ATOM 0 H ILE A 450 0.207 -3.941 7.512 1.00 0.00 H new ATOM 0 HA ILE A 450 -2.229 -2.845 6.283 1.00 0.00 H new ATOM 0 HB ILE A 450 -0.800 -2.999 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.492 -3.283 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 450 0.770 -4.678 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 450 0.507 -0.974 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -1.131 -0.867 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.253 -1.232 6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.778 -3.972 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.348 -3.771 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 450 2.082 -2.354 3.956 1.00 0.00 H new ATOM 945 N VAL A 451 -2.620 -4.985 4.856 1.00 0.00 N ATOM 946 CA VAL A 451 -3.063 -6.278 4.352 1.00 0.00 C ATOM 947 C VAL A 451 -3.043 -6.251 2.827 1.00 0.00 C ATOM 948 O VAL A 451 -3.607 -5.335 2.218 1.00 0.00 O ATOM 949 CB VAL A 451 -4.522 -6.616 4.821 1.00 0.00 C ATOM 950 CG1 VAL A 451 -4.948 -8.006 4.355 1.00 0.00 C ATOM 951 CG2 VAL A 451 -4.671 -6.493 6.334 1.00 0.00 C ATOM 0 H VAL A 451 -3.080 -4.187 4.417 1.00 0.00 H new ATOM 0 HA VAL A 451 -2.388 -7.039 4.743 1.00 0.00 H new ATOM 0 HB VAL A 451 -5.182 -5.882 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 451 -5.963 -8.209 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 451 -4.915 -8.051 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 451 -4.270 -8.752 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 451 -5.695 -6.735 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 451 -3.985 -7.183 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 451 -4.440 -5.473 6.641 1.00 0.00 H new ATOM 961 N VAL A 452 -2.383 -7.218 2.215 1.00 0.00 N ATOM 962 CA VAL A 452 -2.366 -7.340 0.769 1.00 0.00 C ATOM 963 C VAL A 452 -2.792 -8.765 0.429 1.00 0.00 C ATOM 964 O VAL A 452 -2.274 -9.715 1.017 1.00 0.00 O ATOM 965 CB VAL A 452 -0.954 -7.006 0.104 1.00 0.00 C ATOM 966 CG1 VAL A 452 -0.323 -5.756 0.683 1.00 0.00 C ATOM 967 CG2 VAL A 452 0.036 -8.166 0.127 1.00 0.00 C ATOM 0 H VAL A 452 -1.847 -7.936 2.703 1.00 0.00 H new ATOM 0 HA VAL A 452 -3.052 -6.600 0.357 1.00 0.00 H new ATOM 0 HB VAL A 452 -1.187 -6.819 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 452 0.635 -5.573 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -0.983 -4.905 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -0.167 -5.890 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 452 0.969 -7.857 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 452 0.229 -8.459 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -0.382 -9.012 -0.418 1.00 0.00 H new ATOM 977 N GLY A 453 -3.772 -8.908 -0.448 1.00 0.00 N ATOM 978 CA GLY A 453 -4.253 -10.232 -0.853 1.00 0.00 C ATOM 979 C GLY A 453 -4.696 -11.111 0.324 1.00 0.00 C ATOM 980 O GLY A 453 -5.817 -10.972 0.821 1.00 0.00 O ATOM 0 H GLY A 453 -4.254 -8.129 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.090 -10.111 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -3.462 -10.745 -1.401 1.00 0.00 H new ATOM 984 N THR A 454 -3.804 -11.986 0.779 1.00 0.00 N ATOM 985 CA THR A 454 -4.091 -12.876 1.886 1.00 0.00 C ATOM 986 C THR A 454 -2.989 -12.774 2.967 1.00 0.00 C ATOM 987 O THR A 454 -2.933 -13.588 3.905 1.00 0.00 O ATOM 988 CB THR A 454 -4.230 -14.362 1.398 1.00 0.00 C ATOM 989 OG1 THR A 454 -4.585 -15.229 2.497 1.00 0.00 O ATOM 990 CG2 THR A 454 -2.928 -14.865 0.782 1.00 0.00 C ATOM 0 H THR A 454 -2.868 -12.094 0.389 1.00 0.00 H new ATOM 0 HA THR A 454 -5.042 -12.568 2.321 1.00 0.00 H new ATOM 0 HB THR A 454 -5.016 -14.380 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 454 -4.043 -15.002 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 454 -3.056 -15.897 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 454 -2.665 -14.242 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 454 -2.132 -14.816 1.525 1.00 0.00 H new ATOM 998 N THR A 455 -2.139 -11.792 2.852 1.00 0.00 N ATOM 999 CA THR A 455 -1.059 -11.628 3.790 1.00 0.00 C ATOM 1000 C THR A 455 -1.097 -10.232 4.423 1.00 0.00 C ATOM 1001 O THR A 455 -1.556 -9.273 3.812 1.00 0.00 O ATOM 1002 CB THR A 455 0.306 -11.922 3.104 1.00 0.00 C ATOM 1003 OG1 THR A 455 0.266 -13.258 2.570 1.00 0.00 O ATOM 1004 CG2 THR A 455 1.460 -11.824 4.096 1.00 0.00 C ATOM 0 H THR A 455 -2.172 -11.088 2.114 1.00 0.00 H new ATOM 0 HA THR A 455 -1.181 -12.350 4.597 1.00 0.00 H new ATOM 0 HB THR A 455 0.468 -11.185 2.317 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.119 -13.461 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.399 -12.035 3.584 1.00 0.00 H new ATOM 0 HG22 THR A 455 1.494 -10.819 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 455 1.313 -12.548 4.898 1.00 0.00 H new ATOM 1012 N TYR A 456 -0.629 -10.137 5.635 1.00 0.00 N ATOM 1013 CA TYR A 456 -0.637 -8.918 6.380 1.00 0.00 C ATOM 1014 C TYR A 456 0.763 -8.672 6.889 1.00 0.00 C ATOM 1015 O TYR A 456 1.584 -9.600 6.924 1.00 0.00 O ATOM 1016 CB TYR A 456 -1.632 -9.013 7.561 1.00 0.00 C ATOM 1017 CG TYR A 456 -1.258 -10.041 8.627 1.00 0.00 C ATOM 1018 CD1 TYR A 456 -1.509 -11.399 8.446 1.00 0.00 C ATOM 1019 CD2 TYR A 456 -0.647 -9.645 9.810 1.00 0.00 C ATOM 1020 CE1 TYR A 456 -1.162 -12.325 9.412 1.00 0.00 C ATOM 1021 CE2 TYR A 456 -0.298 -10.563 10.777 1.00 0.00 C ATOM 1022 CZ TYR A 456 -0.559 -11.899 10.575 1.00 0.00 C ATOM 1023 OH TYR A 456 -0.207 -12.819 11.550 1.00 0.00 O ATOM 0 H TYR A 456 -0.223 -10.924 6.141 1.00 0.00 H new ATOM 0 HA TYR A 456 -0.955 -8.092 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 456 -1.711 -8.033 8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 456 -2.619 -9.259 7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 456 -1.983 -11.734 7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 456 -0.441 -8.598 9.975 1.00 0.00 H new ATOM 0 HE1 TYR A 456 -1.362 -13.375 9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 456 0.178 -10.235 11.689 1.00 0.00 H new ATOM 0 HH TYR A 456 0.209 -12.353 12.305 1.00 0.00 H new ATOM 1033 N GLY A 457 1.038 -7.476 7.269 1.00 0.00 N ATOM 1034 CA GLY A 457 2.325 -7.141 7.788 1.00 0.00 C ATOM 1035 C GLY A 457 2.320 -5.746 8.280 1.00 0.00 C ATOM 1036 O GLY A 457 1.260 -5.156 8.421 1.00 0.00 O ATOM 0 H GLY A 457 0.380 -6.698 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 457 2.589 -7.821 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 457 3.082 -7.260 7.013 1.00 0.00 H new ATOM 1040 N ARG A 458 3.459 -5.200 8.503 1.00 0.00 N ATOM 1041 CA ARG A 458 3.565 -3.862 9.003 1.00 0.00 C ATOM 1042 C ARG A 458 4.634 -3.152 8.219 1.00 0.00 C ATOM 1043 O ARG A 458 5.708 -3.712 7.990 1.00 0.00 O ATOM 1044 CB ARG A 458 3.924 -3.885 10.480 1.00 0.00 C ATOM 1045 CG ARG A 458 4.055 -2.514 11.112 1.00 0.00 C ATOM 1046 CD ARG A 458 4.629 -2.618 12.504 1.00 0.00 C ATOM 1047 NE ARG A 458 5.934 -3.274 12.475 1.00 0.00 N ATOM 1048 CZ ARG A 458 6.633 -3.666 13.534 1.00 0.00 C ATOM 1049 NH1 ARG A 458 6.320 -3.226 14.756 1.00 0.00 N ATOM 1050 NH2 ARG A 458 7.701 -4.433 13.354 1.00 0.00 N ATOM 0 H ARG A 458 4.354 -5.664 8.346 1.00 0.00 H new ATOM 0 HA ARG A 458 2.613 -3.342 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 458 3.162 -4.449 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 458 4.865 -4.421 10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 458 4.696 -1.884 10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 458 3.078 -2.032 11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 458 4.726 -1.623 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 458 3.948 -3.180 13.143 1.00 0.00 H new ATOM 0 HE ARG A 458 6.346 -3.447 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 458 5.538 -2.583 14.882 1.00 0.00 H new ATOM 0 HH12 ARG A 458 6.863 -3.533 15.563 1.00 0.00 H new ATOM 0 HH21 ARG A 458 7.975 -4.713 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 458 8.248 -4.742 14.157 1.00 0.00 H new ATOM 1064 N VAL A 459 4.351 -1.942 7.808 1.00 0.00 N ATOM 1065 CA VAL A 459 5.293 -1.185 7.009 1.00 0.00 C ATOM 1066 C VAL A 459 6.482 -0.774 7.847 1.00 0.00 C ATOM 1067 O VAL A 459 6.328 -0.132 8.874 1.00 0.00 O ATOM 1068 CB VAL A 459 4.660 0.070 6.400 1.00 0.00 C ATOM 1069 CG1 VAL A 459 5.634 0.752 5.452 1.00 0.00 C ATOM 1070 CG2 VAL A 459 3.377 -0.272 5.692 1.00 0.00 C ATOM 0 H VAL A 459 3.477 -1.456 8.011 1.00 0.00 H new ATOM 0 HA VAL A 459 5.611 -1.838 6.196 1.00 0.00 H new ATOM 0 HB VAL A 459 4.427 0.764 7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 459 5.167 1.641 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 459 6.533 1.039 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 459 5.901 0.065 4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 459 2.944 0.633 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 459 3.581 -0.986 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 459 2.676 -0.711 6.402 1.00 0.00 H new ATOM 1080 N ARG A 460 7.640 -1.164 7.420 1.00 0.00 N ATOM 1081 CA ARG A 460 8.854 -0.844 8.121 1.00 0.00 C ATOM 1082 C ARG A 460 9.477 0.447 7.565 1.00 0.00 C ATOM 1083 O ARG A 460 9.657 1.413 8.301 1.00 0.00 O ATOM 1084 CB ARG A 460 9.805 -2.068 8.086 1.00 0.00 C ATOM 1085 CG ARG A 460 11.163 -1.890 8.766 1.00 0.00 C ATOM 1086 CD ARG A 460 12.221 -1.445 7.778 1.00 0.00 C ATOM 1087 NE ARG A 460 12.390 -2.448 6.715 1.00 0.00 N ATOM 1088 CZ ARG A 460 13.356 -2.464 5.795 1.00 0.00 C ATOM 1089 NH1 ARG A 460 14.297 -1.521 5.784 1.00 0.00 N ATOM 1090 NH2 ARG A 460 13.376 -3.438 4.897 1.00 0.00 N ATOM 0 H ARG A 460 7.777 -1.716 6.573 1.00 0.00 H new ATOM 0 HA ARG A 460 8.644 -0.637 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 460 9.296 -2.910 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 460 9.977 -2.338 7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 460 11.078 -1.155 9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 460 11.466 -2.830 9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 460 11.938 -0.487 7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 460 13.168 -1.292 8.295 1.00 0.00 H new ATOM 0 HE ARG A 460 11.704 -3.202 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 460 14.283 -0.778 6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 460 15.032 -1.542 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 460 12.659 -4.163 4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 460 14.109 -3.463 4.188 1.00 0.00 H new ATOM 1104 N ALA A 461 9.752 0.474 6.273 1.00 0.00 N ATOM 1105 CA ALA A 461 10.342 1.636 5.630 1.00 0.00 C ATOM 1106 C ALA A 461 9.492 2.033 4.464 1.00 0.00 C ATOM 1107 O ALA A 461 8.872 1.178 3.814 1.00 0.00 O ATOM 1108 CB ALA A 461 11.768 1.337 5.172 1.00 0.00 C ATOM 0 H ALA A 461 9.573 -0.306 5.641 1.00 0.00 H new ATOM 0 HA ALA A 461 10.387 2.457 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 461 12.189 2.221 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 461 12.378 1.065 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 461 11.756 0.511 4.461 1.00 0.00 H new ATOM 1114 N MET A 462 9.445 3.306 4.221 1.00 0.00 N ATOM 1115 CA MET A 462 8.659 3.864 3.161 1.00 0.00 C ATOM 1116 C MET A 462 9.592 4.626 2.253 1.00 0.00 C ATOM 1117 O MET A 462 10.244 5.557 2.696 1.00 0.00 O ATOM 1118 CB MET A 462 7.675 4.867 3.762 1.00 0.00 C ATOM 1119 CG MET A 462 6.585 5.350 2.822 1.00 0.00 C ATOM 1120 SD MET A 462 5.329 4.112 2.559 1.00 0.00 S ATOM 1121 CE MET A 462 4.707 4.003 4.229 1.00 0.00 C ATOM 0 H MET A 462 9.960 4.000 4.762 1.00 0.00 H new ATOM 0 HA MET A 462 8.128 3.080 2.622 1.00 0.00 H new ATOM 0 HB2 MET A 462 7.205 4.412 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 462 8.235 5.732 4.117 1.00 0.00 H new ATOM 0 HG2 MET A 462 6.126 6.250 3.232 1.00 0.00 H new ATOM 0 HG3 MET A 462 7.028 5.625 1.865 1.00 0.00 H new ATOM 0 HE1 MET A 462 3.804 3.393 4.242 1.00 0.00 H new ATOM 0 HE2 MET A 462 5.462 3.547 4.869 1.00 0.00 H new ATOM 0 HE3 MET A 462 4.475 5.002 4.597 1.00 0.00 H new ATOM 1131 N VAL A 463 9.709 4.231 1.040 1.00 0.00 N ATOM 1132 CA VAL A 463 10.502 4.987 0.092 1.00 0.00 C ATOM 1133 C VAL A 463 9.541 5.517 -0.940 1.00 0.00 C ATOM 1134 O VAL A 463 8.654 4.801 -1.341 1.00 0.00 O ATOM 1135 CB VAL A 463 11.601 4.123 -0.591 1.00 0.00 C ATOM 1136 CG1 VAL A 463 12.482 4.986 -1.473 1.00 0.00 C ATOM 1137 CG2 VAL A 463 12.454 3.405 0.447 1.00 0.00 C ATOM 0 H VAL A 463 9.273 3.390 0.662 1.00 0.00 H new ATOM 0 HA VAL A 463 11.030 5.787 0.610 1.00 0.00 H new ATOM 0 HB VAL A 463 11.103 3.375 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 463 13.245 4.366 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 463 11.873 5.459 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 463 12.962 5.755 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 463 13.214 2.808 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 463 12.937 4.139 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 463 11.822 2.753 1.050 1.00 0.00 H new ATOM 1147 N ASN A 464 9.664 6.751 -1.344 1.00 0.00 N ATOM 1148 CA ASN A 464 8.691 7.276 -2.270 1.00 0.00 C ATOM 1149 C ASN A 464 9.286 7.363 -3.649 1.00 0.00 C ATOM 1150 O ASN A 464 10.477 7.130 -3.818 1.00 0.00 O ATOM 1151 CB ASN A 464 8.132 8.634 -1.805 1.00 0.00 C ATOM 1152 CG ASN A 464 8.970 9.834 -2.178 1.00 0.00 C ATOM 1153 OD1 ASN A 464 8.771 10.431 -3.220 1.00 0.00 O ATOM 1154 ND2 ASN A 464 9.907 10.187 -1.356 1.00 0.00 N ATOM 0 H ASN A 464 10.401 7.396 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 464 7.846 6.588 -2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 464 7.135 8.762 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 464 8.020 8.611 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 464 10.503 10.986 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 464 10.049 9.666 -0.490 1.00 0.00 H new ATOM 1161 N ASP A 465 8.462 7.716 -4.612 1.00 0.00 N ATOM 1162 CA ASP A 465 8.836 7.833 -6.032 1.00 0.00 C ATOM 1163 C ASP A 465 10.055 8.744 -6.273 1.00 0.00 C ATOM 1164 O ASP A 465 10.830 8.519 -7.203 1.00 0.00 O ATOM 1165 CB ASP A 465 7.629 8.314 -6.839 1.00 0.00 C ATOM 1166 CG ASP A 465 7.915 8.530 -8.312 1.00 0.00 C ATOM 1167 OD1 ASP A 465 8.201 7.548 -9.034 1.00 0.00 O ATOM 1168 OD2 ASP A 465 7.810 9.683 -8.777 1.00 0.00 O ATOM 0 H ASP A 465 7.482 7.939 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 465 9.138 6.841 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 465 6.825 7.585 -6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 465 7.267 9.248 -6.409 1.00 0.00 H new ATOM 1173 N SER A 466 10.254 9.740 -5.424 1.00 0.00 N ATOM 1174 CA SER A 466 11.394 10.623 -5.559 1.00 0.00 C ATOM 1175 C SER A 466 12.686 9.953 -5.049 1.00 0.00 C ATOM 1176 O SER A 466 13.786 10.463 -5.249 1.00 0.00 O ATOM 1177 CB SER A 466 11.140 11.955 -4.850 1.00 0.00 C ATOM 1178 OG SER A 466 10.033 12.639 -5.429 1.00 0.00 O ATOM 0 H SER A 466 9.641 9.954 -4.637 1.00 0.00 H new ATOM 0 HA SER A 466 11.532 10.831 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 466 10.949 11.777 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 466 12.031 12.580 -4.912 1.00 0.00 H new ATOM 0 HG SER A 466 9.889 13.486 -4.958 1.00 0.00 H new ATOM 1184 N GLY A 467 12.542 8.831 -4.367 1.00 0.00 N ATOM 1185 CA GLY A 467 13.697 8.073 -3.924 1.00 0.00 C ATOM 1186 C GLY A 467 13.998 8.314 -2.481 1.00 0.00 C ATOM 1187 O GLY A 467 14.770 7.594 -1.862 1.00 0.00 O ATOM 0 H GLY A 467 11.642 8.427 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 467 13.518 7.010 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 467 14.564 8.345 -4.527 1.00 0.00 H new ATOM 1191 N ARG A 468 13.353 9.309 -1.937 1.00 0.00 N ATOM 1192 CA ARG A 468 13.550 9.688 -0.564 1.00 0.00 C ATOM 1193 C ARG A 468 12.816 8.742 0.340 1.00 0.00 C ATOM 1194 O ARG A 468 11.663 8.353 0.058 1.00 0.00 O ATOM 1195 CB ARG A 468 13.095 11.130 -0.301 1.00 0.00 C ATOM 1196 CG ARG A 468 14.059 12.237 -0.755 1.00 0.00 C ATOM 1197 CD ARG A 468 14.308 12.248 -2.257 1.00 0.00 C ATOM 1198 NE ARG A 468 15.224 13.323 -2.643 1.00 0.00 N ATOM 1199 CZ ARG A 468 15.865 13.423 -3.822 1.00 0.00 C ATOM 1200 NH1 ARG A 468 15.697 12.505 -4.772 1.00 0.00 N ATOM 1201 NH2 ARG A 468 16.665 14.457 -4.046 1.00 0.00 N ATOM 0 H ARG A 468 12.673 9.883 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 468 14.618 9.635 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 468 12.138 11.284 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 468 12.920 11.245 0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 468 13.656 13.204 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 468 15.011 12.114 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 468 14.722 11.288 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 468 13.361 12.370 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 468 15.391 14.061 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 468 15.076 11.712 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 468 16.190 12.595 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 468 16.791 15.169 -3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 468 17.154 14.540 -4.937 1.00 0.00 H new ATOM 1215 N ARG A 469 13.462 8.359 1.396 1.00 0.00 N ATOM 1216 CA ARG A 469 12.882 7.483 2.350 1.00 0.00 C ATOM 1217 C ARG A 469 12.080 8.360 3.308 1.00 0.00 C ATOM 1218 O ARG A 469 12.589 9.346 3.849 1.00 0.00 O ATOM 1219 CB ARG A 469 13.994 6.672 3.051 1.00 0.00 C ATOM 1220 CG ARG A 469 13.545 5.345 3.669 1.00 0.00 C ATOM 1221 CD ARG A 469 12.655 5.524 4.866 1.00 0.00 C ATOM 1222 NE ARG A 469 13.377 6.117 5.981 1.00 0.00 N ATOM 1223 CZ ARG A 469 12.840 6.472 7.149 1.00 0.00 C ATOM 1224 NH1 ARG A 469 11.525 6.484 7.320 1.00 0.00 N ATOM 1225 NH2 ARG A 469 13.622 6.854 8.132 1.00 0.00 N ATOM 0 H ARG A 469 14.414 8.651 1.617 1.00 0.00 H new ATOM 0 HA ARG A 469 12.216 6.747 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 469 14.783 6.468 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 469 14.432 7.289 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 469 13.017 4.760 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 469 14.424 4.771 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 469 11.809 6.158 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 469 12.248 4.558 5.166 1.00 0.00 H new ATOM 0 HE ARG A 469 14.377 6.274 5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 469 10.908 6.219 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 469 11.130 6.758 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 469 14.633 6.878 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 469 13.218 7.127 9.028 1.00 0.00 H new ATOM 1239 N VAL A 470 10.847 8.022 3.494 1.00 0.00 N ATOM 1240 CA VAL A 470 9.933 8.844 4.235 1.00 0.00 C ATOM 1241 C VAL A 470 9.276 8.045 5.341 1.00 0.00 C ATOM 1242 O VAL A 470 9.505 6.830 5.465 1.00 0.00 O ATOM 1243 CB VAL A 470 8.855 9.498 3.305 1.00 0.00 C ATOM 1244 CG1 VAL A 470 9.475 10.554 2.399 1.00 0.00 C ATOM 1245 CG2 VAL A 470 8.156 8.452 2.453 1.00 0.00 C ATOM 0 H VAL A 470 10.436 7.160 3.135 1.00 0.00 H new ATOM 0 HA VAL A 470 10.508 9.653 4.685 1.00 0.00 H new ATOM 0 HB VAL A 470 8.121 9.975 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 470 8.702 10.989 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 470 9.928 11.336 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 470 10.239 10.093 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 470 7.414 8.936 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 470 8.890 7.942 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 470 7.663 7.727 3.100 1.00 0.00 H new ATOM 1255 N LYS A 471 8.507 8.713 6.153 1.00 0.00 N ATOM 1256 CA LYS A 471 7.821 8.075 7.264 1.00 0.00 C ATOM 1257 C LYS A 471 6.348 7.854 6.942 1.00 0.00 C ATOM 1258 O LYS A 471 5.753 6.854 7.348 1.00 0.00 O ATOM 1259 CB LYS A 471 8.017 8.885 8.557 1.00 0.00 C ATOM 1260 CG LYS A 471 7.757 10.375 8.400 1.00 0.00 C ATOM 1261 CD LYS A 471 7.971 11.136 9.691 1.00 0.00 C ATOM 1262 CE LYS A 471 7.823 12.636 9.478 1.00 0.00 C ATOM 1263 NZ LYS A 471 6.461 13.032 9.037 1.00 0.00 N ATOM 0 H LYS A 471 8.332 9.715 6.072 1.00 0.00 H new ATOM 0 HA LYS A 471 8.261 7.091 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 471 7.352 8.490 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 471 9.037 8.740 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 471 8.416 10.777 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 471 6.734 10.529 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 471 7.252 10.800 10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.964 10.918 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 471 8.062 13.154 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 471 8.549 12.964 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.383 14.069 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 6.290 12.674 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.755 12.630 9.687 1.00 0.00 H new ATOM 1277 N GLU A 472 5.775 8.777 6.216 1.00 0.00 N ATOM 1278 CA GLU A 472 4.410 8.676 5.770 1.00 0.00 C ATOM 1279 C GLU A 472 4.229 9.287 4.407 1.00 0.00 C ATOM 1280 O GLU A 472 4.990 10.174 4.009 1.00 0.00 O ATOM 1281 CB GLU A 472 3.372 9.199 6.806 1.00 0.00 C ATOM 1282 CG GLU A 472 3.809 10.366 7.703 1.00 0.00 C ATOM 1283 CD GLU A 472 4.238 11.604 6.965 1.00 0.00 C ATOM 1284 OE1 GLU A 472 3.376 12.388 6.520 1.00 0.00 O ATOM 1285 OE2 GLU A 472 5.452 11.843 6.860 1.00 0.00 O ATOM 0 H GLU A 472 6.247 9.629 5.914 1.00 0.00 H new ATOM 0 HA GLU A 472 4.198 7.611 5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 472 2.477 9.505 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 472 3.086 8.366 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 472 2.984 10.624 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 472 4.633 10.032 8.333 1.00 0.00 H new ATOM 1292 N ALA A 473 3.281 8.776 3.689 1.00 0.00 N ATOM 1293 CA ALA A 473 2.973 9.213 2.368 1.00 0.00 C ATOM 1294 C ALA A 473 1.477 9.258 2.206 1.00 0.00 C ATOM 1295 O ALA A 473 0.758 8.414 2.772 1.00 0.00 O ATOM 1296 CB ALA A 473 3.572 8.258 1.368 1.00 0.00 C ATOM 0 H ALA A 473 2.682 8.019 4.018 1.00 0.00 H new ATOM 0 HA ALA A 473 3.388 10.207 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 473 3.336 8.593 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 473 4.654 8.228 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 473 3.160 7.261 1.525 1.00 0.00 H new ATOM 1302 N GLY A 474 1.009 10.208 1.450 1.00 0.00 N ATOM 1303 CA GLY A 474 -0.399 10.363 1.272 1.00 0.00 C ATOM 1304 C GLY A 474 -0.904 9.597 0.079 1.00 0.00 C ATOM 1305 O GLY A 474 -0.104 9.020 -0.672 1.00 0.00 O ATOM 0 H GLY A 474 1.584 10.885 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -0.917 10.022 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -0.635 11.420 1.150 1.00 0.00 H new ATOM 1309 N PRO A 475 -2.226 9.562 -0.128 1.00 0.00 N ATOM 1310 CA PRO A 475 -2.827 8.863 -1.250 1.00 0.00 C ATOM 1311 C PRO A 475 -2.426 9.482 -2.579 1.00 0.00 C ATOM 1312 O PRO A 475 -1.988 10.641 -2.628 1.00 0.00 O ATOM 1313 CB PRO A 475 -4.333 9.023 -1.024 1.00 0.00 C ATOM 1314 CG PRO A 475 -4.457 10.225 -0.153 1.00 0.00 C ATOM 1315 CD PRO A 475 -3.241 10.211 0.722 1.00 0.00 C ATOM 0 HA PRO A 475 -2.507 7.822 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 475 -4.863 9.160 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 475 -4.758 8.141 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 475 -4.503 11.138 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -5.369 10.186 0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -2.941 11.218 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -3.413 9.653 1.642 1.00 0.00 H new ATOM 1323 N SER A 476 -2.541 8.697 -3.636 1.00 0.00 N ATOM 1324 CA SER A 476 -2.232 9.127 -4.998 1.00 0.00 C ATOM 1325 C SER A 476 -0.723 9.372 -5.209 1.00 0.00 C ATOM 1326 O SER A 476 -0.310 10.011 -6.182 1.00 0.00 O ATOM 1327 CB SER A 476 -3.061 10.363 -5.375 1.00 0.00 C ATOM 1328 OG SER A 476 -4.462 10.099 -5.230 1.00 0.00 O ATOM 0 H SER A 476 -2.856 7.729 -3.577 1.00 0.00 H new ATOM 0 HA SER A 476 -2.508 8.312 -5.667 1.00 0.00 H new ATOM 0 HB2 SER A 476 -2.777 11.204 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 476 -2.845 10.651 -6.404 1.00 0.00 H new ATOM 0 HG SER A 476 -4.973 10.899 -5.473 1.00 0.00 H new ATOM 1334 N MET A 477 0.091 8.854 -4.315 1.00 0.00 N ATOM 1335 CA MET A 477 1.518 8.948 -4.470 1.00 0.00 C ATOM 1336 C MET A 477 2.154 7.572 -4.474 1.00 0.00 C ATOM 1337 O MET A 477 1.867 6.751 -3.604 1.00 0.00 O ATOM 1338 CB MET A 477 2.172 9.865 -3.416 1.00 0.00 C ATOM 1339 CG MET A 477 3.694 9.859 -3.509 1.00 0.00 C ATOM 1340 SD MET A 477 4.506 11.270 -2.720 1.00 0.00 S ATOM 1341 CE MET A 477 3.971 11.088 -1.026 1.00 0.00 C ATOM 0 H MET A 477 -0.215 8.364 -3.474 1.00 0.00 H new ATOM 0 HA MET A 477 1.700 9.413 -5.439 1.00 0.00 H new ATOM 0 HB2 MET A 477 1.806 10.883 -3.546 1.00 0.00 H new ATOM 0 HB3 MET A 477 1.870 9.543 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 477 4.068 8.941 -3.055 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.980 9.834 -4.561 1.00 0.00 H new ATOM 0 HE1 MET A 477 4.229 11.986 -0.465 1.00 0.00 H new ATOM 0 HE2 MET A 477 2.891 10.941 -0.999 1.00 0.00 H new ATOM 0 HE3 MET A 477 4.466 10.226 -0.579 1.00 0.00 H new ATOM 1351 N PRO A 478 2.964 7.272 -5.507 1.00 0.00 N ATOM 1352 CA PRO A 478 3.678 6.011 -5.583 1.00 0.00 C ATOM 1353 C PRO A 478 4.767 5.916 -4.525 1.00 0.00 C ATOM 1354 O PRO A 478 5.629 6.812 -4.404 1.00 0.00 O ATOM 1355 CB PRO A 478 4.315 5.995 -6.975 1.00 0.00 C ATOM 1356 CG PRO A 478 4.095 7.344 -7.583 1.00 0.00 C ATOM 1357 CD PRO A 478 3.191 8.132 -6.686 1.00 0.00 C ATOM 0 HA PRO A 478 3.003 5.172 -5.413 1.00 0.00 H new ATOM 0 HB2 PRO A 478 5.380 5.774 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 478 3.867 5.217 -7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 478 5.046 7.861 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 478 3.652 7.244 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 478 3.649 9.079 -6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 478 2.252 8.370 -7.185 1.00 0.00 H new ATOM 1365 N VAL A 479 4.724 4.859 -3.761 1.00 0.00 N ATOM 1366 CA VAL A 479 5.704 4.600 -2.735 1.00 0.00 C ATOM 1367 C VAL A 479 6.057 3.133 -2.734 1.00 0.00 C ATOM 1368 O VAL A 479 5.398 2.337 -3.395 1.00 0.00 O ATOM 1369 CB VAL A 479 5.234 5.038 -1.308 1.00 0.00 C ATOM 1370 CG1 VAL A 479 5.137 6.544 -1.199 1.00 0.00 C ATOM 1371 CG2 VAL A 479 3.898 4.413 -0.956 1.00 0.00 C ATOM 0 H VAL A 479 4.000 4.144 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 479 6.581 5.203 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 479 5.985 4.685 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 479 4.808 6.816 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 479 6.114 6.987 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 479 4.419 6.916 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 479 3.597 4.735 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 479 3.147 4.727 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 479 3.988 3.327 -0.974 1.00 0.00 H new ATOM 1381 N GLU A 480 7.096 2.794 -2.048 1.00 0.00 N ATOM 1382 CA GLU A 480 7.536 1.450 -1.921 1.00 0.00 C ATOM 1383 C GLU A 480 7.646 1.113 -0.447 1.00 0.00 C ATOM 1384 O GLU A 480 8.403 1.755 0.303 1.00 0.00 O ATOM 1385 CB GLU A 480 8.866 1.264 -2.648 1.00 0.00 C ATOM 1386 CG GLU A 480 9.364 -0.167 -2.699 1.00 0.00 C ATOM 1387 CD GLU A 480 10.589 -0.303 -3.556 1.00 0.00 C ATOM 1388 OE1 GLU A 480 10.445 -0.399 -4.791 1.00 0.00 O ATOM 1389 OE2 GLU A 480 11.712 -0.294 -3.020 1.00 0.00 O ATOM 0 H GLU A 480 7.678 3.465 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 480 6.820 0.769 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 480 8.762 1.635 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 480 9.621 1.880 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 480 9.588 -0.510 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 480 8.576 -0.812 -3.087 1.00 0.00 H new ATOM 1396 N ILE A 481 6.867 0.148 -0.038 1.00 0.00 N ATOM 1397 CA ILE A 481 6.799 -0.283 1.342 1.00 0.00 C ATOM 1398 C ILE A 481 7.654 -1.512 1.555 1.00 0.00 C ATOM 1399 O ILE A 481 8.156 -2.116 0.594 1.00 0.00 O ATOM 1400 CB ILE A 481 5.359 -0.653 1.740 1.00 0.00 C ATOM 1401 CG1 ILE A 481 4.825 -1.772 0.831 1.00 0.00 C ATOM 1402 CG2 ILE A 481 4.465 0.574 1.685 1.00 0.00 C ATOM 1403 CD1 ILE A 481 3.530 -2.363 1.295 1.00 0.00 C ATOM 0 H ILE A 481 6.249 -0.373 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 481 7.155 0.548 1.951 1.00 0.00 H new ATOM 0 HB ILE A 481 5.359 -1.023 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 481 4.693 -1.377 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 481 5.572 -2.563 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 481 3.450 0.297 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 481 4.841 1.330 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.462 0.977 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 481 3.218 -3.145 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 481 3.660 -2.790 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.767 -1.585 1.331 1.00 0.00 H new ATOM 1415 N THR A 482 7.770 -1.892 2.801 1.00 0.00 N ATOM 1416 CA THR A 482 8.510 -3.049 3.233 1.00 0.00 C ATOM 1417 C THR A 482 7.902 -3.548 4.527 1.00 0.00 C ATOM 1418 O THR A 482 7.263 -2.773 5.236 1.00 0.00 O ATOM 1419 CB THR A 482 9.981 -2.680 3.517 1.00 0.00 C ATOM 1420 OG1 THR A 482 10.029 -1.403 4.171 1.00 0.00 O ATOM 1421 CG2 THR A 482 10.828 -2.657 2.259 1.00 0.00 C ATOM 0 H THR A 482 7.335 -1.385 3.572 1.00 0.00 H new ATOM 0 HA THR A 482 8.470 -3.806 2.449 1.00 0.00 H new ATOM 0 HB THR A 482 10.400 -3.451 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 482 10.095 -0.693 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 482 11.854 -2.392 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 482 10.814 -3.642 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 482 10.426 -1.920 1.563 1.00 0.00 H new ATOM 1429 N GLY A 483 8.071 -4.807 4.813 1.00 0.00 N ATOM 1430 CA GLY A 483 7.673 -5.342 6.085 1.00 0.00 C ATOM 1431 C GLY A 483 6.504 -6.302 6.062 1.00 0.00 C ATOM 1432 O GLY A 483 5.874 -6.554 7.105 1.00 0.00 O ATOM 0 H GLY A 483 8.485 -5.488 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 483 8.529 -5.853 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 483 7.423 -4.511 6.745 1.00 0.00 H new ATOM 1436 N LEU A 484 6.202 -6.839 4.907 1.00 0.00 N ATOM 1437 CA LEU A 484 5.204 -7.874 4.808 1.00 0.00 C ATOM 1438 C LEU A 484 5.796 -9.197 5.202 1.00 0.00 C ATOM 1439 O LEU A 484 5.098 -10.072 5.712 1.00 0.00 O ATOM 1440 CB LEU A 484 4.651 -7.983 3.396 1.00 0.00 C ATOM 1441 CG LEU A 484 3.603 -6.965 2.987 1.00 0.00 C ATOM 1442 CD1 LEU A 484 3.202 -7.206 1.556 1.00 0.00 C ATOM 1443 CD2 LEU A 484 2.388 -7.104 3.879 1.00 0.00 C ATOM 0 H LEU A 484 6.633 -6.576 4.021 1.00 0.00 H new ATOM 0 HA LEU A 484 4.389 -7.610 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 484 5.485 -7.909 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 484 4.222 -8.978 3.276 1.00 0.00 H new ATOM 0 HG LEU A 484 4.015 -5.961 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 484 2.449 -6.475 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 484 4.076 -7.107 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.791 -8.211 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 484 1.635 -6.373 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 484 1.976 -8.108 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 484 2.676 -6.931 4.916 1.00 0.00 H new ATOM 1455 N HIS A 485 7.099 -9.332 4.927 1.00 0.00 N ATOM 1456 CA HIS A 485 7.884 -10.544 5.171 1.00 0.00 C ATOM 1457 C HIS A 485 7.332 -11.692 4.300 1.00 0.00 C ATOM 1458 O HIS A 485 7.559 -12.877 4.552 1.00 0.00 O ATOM 1459 CB HIS A 485 7.874 -10.887 6.678 1.00 0.00 C ATOM 1460 CG HIS A 485 8.870 -11.927 7.106 1.00 0.00 C ATOM 1461 ND1 HIS A 485 8.544 -13.206 7.513 1.00 0.00 N ATOM 1462 CD2 HIS A 485 10.214 -11.838 7.215 1.00 0.00 C ATOM 1463 CE1 HIS A 485 9.672 -13.835 7.845 1.00 0.00 C ATOM 1464 NE2 HIS A 485 10.723 -13.043 7.682 1.00 0.00 N ATOM 0 H HIS A 485 7.650 -8.578 4.517 1.00 0.00 H new ATOM 0 HA HIS A 485 8.925 -10.384 4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 485 8.061 -9.974 7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 485 6.876 -11.230 6.949 1.00 0.00 H new ATOM 0 HD2 HIS A 485 10.802 -10.964 6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 485 9.723 -14.854 8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 485 11.701 -13.271 7.862 1.00 0.00 H new ATOM 1472 N ASP A 486 6.638 -11.310 3.255 1.00 0.00 N ATOM 1473 CA ASP A 486 6.041 -12.240 2.334 1.00 0.00 C ATOM 1474 C ASP A 486 6.218 -11.657 0.954 1.00 0.00 C ATOM 1475 O ASP A 486 6.779 -10.561 0.831 1.00 0.00 O ATOM 1476 CB ASP A 486 4.562 -12.415 2.648 1.00 0.00 C ATOM 1477 CG ASP A 486 4.003 -13.723 2.131 1.00 0.00 C ATOM 1478 OD1 ASP A 486 3.626 -13.816 0.958 1.00 0.00 O ATOM 1479 OD2 ASP A 486 3.951 -14.702 2.911 1.00 0.00 O ATOM 0 H ASP A 486 6.471 -10.332 3.020 1.00 0.00 H new ATOM 0 HA ASP A 486 6.511 -13.221 2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 486 4.416 -12.364 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 486 4.002 -11.588 2.211 1.00 0.00 H new ATOM 1484 N VAL A 487 5.747 -12.328 -0.057 1.00 0.00 N ATOM 1485 CA VAL A 487 5.945 -11.874 -1.401 1.00 0.00 C ATOM 1486 C VAL A 487 4.658 -11.256 -1.993 1.00 0.00 C ATOM 1487 O VAL A 487 3.671 -11.950 -2.259 1.00 0.00 O ATOM 1488 CB VAL A 487 6.543 -12.991 -2.325 1.00 0.00 C ATOM 1489 CG1 VAL A 487 5.677 -14.252 -2.354 1.00 0.00 C ATOM 1490 CG2 VAL A 487 6.794 -12.464 -3.735 1.00 0.00 C ATOM 0 H VAL A 487 5.220 -13.197 0.026 1.00 0.00 H new ATOM 0 HA VAL A 487 6.690 -11.079 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 487 7.502 -13.277 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 487 6.136 -14.993 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 487 5.593 -14.659 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 487 4.684 -14.003 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 487 7.209 -13.261 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 487 5.854 -12.121 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 487 7.499 -11.633 -3.693 1.00 0.00 H new ATOM 1500 N PRO A 488 4.630 -9.931 -2.147 1.00 0.00 N ATOM 1501 CA PRO A 488 3.515 -9.255 -2.774 1.00 0.00 C ATOM 1502 C PRO A 488 3.657 -9.310 -4.298 1.00 0.00 C ATOM 1503 O PRO A 488 4.724 -9.672 -4.814 1.00 0.00 O ATOM 1504 CB PRO A 488 3.636 -7.818 -2.264 1.00 0.00 C ATOM 1505 CG PRO A 488 5.086 -7.630 -1.936 1.00 0.00 C ATOM 1506 CD PRO A 488 5.687 -8.993 -1.720 1.00 0.00 C ATOM 0 HA PRO A 488 2.549 -9.702 -2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 488 3.309 -7.104 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 488 3.011 -7.660 -1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 488 5.597 -7.111 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 488 5.199 -7.016 -1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 488 6.596 -9.124 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 488 5.957 -9.147 -0.675 1.00 0.00 H new ATOM 1514 N GLN A 489 2.616 -8.960 -5.019 1.00 0.00 N ATOM 1515 CA GLN A 489 2.662 -9.010 -6.468 1.00 0.00 C ATOM 1516 C GLN A 489 2.075 -7.757 -7.053 1.00 0.00 C ATOM 1517 O GLN A 489 1.256 -7.085 -6.414 1.00 0.00 O ATOM 1518 CB GLN A 489 1.874 -10.188 -7.003 1.00 0.00 C ATOM 1519 CG GLN A 489 2.320 -11.550 -6.524 1.00 0.00 C ATOM 1520 CD GLN A 489 1.428 -12.656 -7.044 1.00 0.00 C ATOM 1521 OE1 GLN A 489 1.879 -13.791 -7.248 1.00 0.00 O ATOM 1522 NE2 GLN A 489 0.166 -12.344 -7.271 1.00 0.00 N ATOM 0 H GLN A 489 1.729 -8.639 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 489 3.709 -9.111 -6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 489 0.827 -10.053 -6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 489 1.926 -10.172 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 489 3.345 -11.730 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 489 2.321 -11.568 -5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 489 -0.166 -11.397 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 489 -0.478 -13.050 -7.628 1.00 0.00 H new ATOM 1531 N ALA A 490 2.511 -7.442 -8.238 1.00 0.00 N ATOM 1532 CA ALA A 490 2.000 -6.324 -8.994 1.00 0.00 C ATOM 1533 C ALA A 490 0.592 -6.614 -9.479 1.00 0.00 C ATOM 1534 O ALA A 490 0.328 -7.688 -10.018 1.00 0.00 O ATOM 1535 CB ALA A 490 2.888 -6.070 -10.182 1.00 0.00 C ATOM 0 H ALA A 490 3.245 -7.961 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 490 1.982 -5.446 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 490 2.501 -5.225 -10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 490 3.898 -5.844 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 490 2.910 -6.956 -10.816 1.00 0.00 H new ATOM 1541 N GLY A 491 -0.290 -5.673 -9.309 1.00 0.00 N ATOM 1542 CA GLY A 491 -1.643 -5.848 -9.748 1.00 0.00 C ATOM 1543 C GLY A 491 -2.551 -6.266 -8.628 1.00 0.00 C ATOM 1544 O GLY A 491 -3.779 -6.249 -8.776 1.00 0.00 O ATOM 0 H GLY A 491 -0.096 -4.774 -8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -2.007 -4.916 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -1.673 -6.599 -10.538 1.00 0.00 H new ATOM 1548 N ASP A 492 -1.971 -6.633 -7.501 1.00 0.00 N ATOM 1549 CA ASP A 492 -2.771 -7.039 -6.365 1.00 0.00 C ATOM 1550 C ASP A 492 -3.324 -5.858 -5.623 1.00 0.00 C ATOM 1551 O ASP A 492 -2.849 -4.720 -5.787 1.00 0.00 O ATOM 1552 CB ASP A 492 -2.057 -8.014 -5.429 1.00 0.00 C ATOM 1553 CG ASP A 492 -2.061 -9.433 -5.964 1.00 0.00 C ATOM 1554 OD1 ASP A 492 -3.030 -10.171 -5.688 1.00 0.00 O ATOM 1555 OD2 ASP A 492 -1.123 -9.842 -6.659 1.00 0.00 O ATOM 0 H ASP A 492 -0.963 -6.658 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 492 -3.612 -7.594 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 492 -1.028 -7.686 -5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 492 -2.539 -7.995 -4.452 1.00 0.00 H new ATOM 1560 N ARG A 493 -4.299 -6.118 -4.786 1.00 0.00 N ATOM 1561 CA ARG A 493 -5.028 -5.070 -4.121 1.00 0.00 C ATOM 1562 C ARG A 493 -4.733 -5.127 -2.649 1.00 0.00 C ATOM 1563 O ARG A 493 -4.854 -6.193 -2.012 1.00 0.00 O ATOM 1564 CB ARG A 493 -6.564 -5.174 -4.346 1.00 0.00 C ATOM 1565 CG ARG A 493 -7.058 -5.160 -5.807 1.00 0.00 C ATOM 1566 CD ARG A 493 -6.776 -6.486 -6.482 1.00 0.00 C ATOM 1567 NE ARG A 493 -7.174 -6.559 -7.886 1.00 0.00 N ATOM 1568 CZ ARG A 493 -6.911 -7.618 -8.659 1.00 0.00 C ATOM 1569 NH1 ARG A 493 -6.221 -8.644 -8.161 1.00 0.00 N ATOM 1570 NH2 ARG A 493 -7.309 -7.644 -9.919 1.00 0.00 N ATOM 0 H ARG A 493 -4.608 -7.061 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 493 -4.704 -4.120 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 493 -6.914 -6.094 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 493 -7.041 -4.348 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 493 -8.128 -4.954 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 493 -6.566 -4.356 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 493 -5.708 -6.693 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 493 -7.291 -7.274 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 493 -7.674 -5.769 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 493 -5.896 -8.619 -7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 493 -6.018 -9.454 -8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 493 -7.821 -6.852 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 493 -7.104 -8.456 -10.502 1.00 0.00 H new ATOM 1584 N PHE A 494 -4.362 -4.018 -2.110 1.00 0.00 N ATOM 1585 CA PHE A 494 -4.011 -3.938 -0.720 1.00 0.00 C ATOM 1586 C PHE A 494 -4.928 -2.988 -0.005 1.00 0.00 C ATOM 1587 O PHE A 494 -5.471 -2.075 -0.610 1.00 0.00 O ATOM 1588 CB PHE A 494 -2.563 -3.482 -0.553 1.00 0.00 C ATOM 1589 CG PHE A 494 -2.268 -2.128 -1.116 1.00 0.00 C ATOM 1590 CD1 PHE A 494 -2.429 -1.004 -0.339 1.00 0.00 C ATOM 1591 CD2 PHE A 494 -1.837 -1.980 -2.406 1.00 0.00 C ATOM 1592 CE1 PHE A 494 -2.170 0.247 -0.835 1.00 0.00 C ATOM 1593 CE2 PHE A 494 -1.576 -0.736 -2.911 1.00 0.00 C ATOM 1594 CZ PHE A 494 -1.743 0.378 -2.127 1.00 0.00 C ATOM 0 H PHE A 494 -4.291 -3.135 -2.615 1.00 0.00 H new ATOM 0 HA PHE A 494 -4.117 -4.932 -0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 494 -2.316 -3.481 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 494 -1.909 -4.211 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 494 -2.766 -1.110 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 494 -1.702 -2.851 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 494 -2.302 1.119 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 494 -1.237 -0.630 -3.931 1.00 0.00 H new ATOM 0 HZ PHE A 494 -1.537 1.358 -2.531 1.00 0.00 H new ATOM 1604 N MET A 495 -5.063 -3.166 1.262 1.00 0.00 N ATOM 1605 CA MET A 495 -5.913 -2.319 2.050 1.00 0.00 C ATOM 1606 C MET A 495 -5.109 -1.643 3.143 1.00 0.00 C ATOM 1607 O MET A 495 -4.522 -2.316 3.999 1.00 0.00 O ATOM 1608 CB MET A 495 -7.066 -3.129 2.674 1.00 0.00 C ATOM 1609 CG MET A 495 -8.054 -2.283 3.478 1.00 0.00 C ATOM 1610 SD MET A 495 -9.399 -3.247 4.226 1.00 0.00 S ATOM 1611 CE MET A 495 -10.198 -3.937 2.768 1.00 0.00 C ATOM 0 H MET A 495 -4.591 -3.900 1.789 1.00 0.00 H new ATOM 0 HA MET A 495 -6.338 -1.559 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 495 -7.606 -3.644 1.880 1.00 0.00 H new ATOM 0 HB3 MET A 495 -6.647 -3.897 3.324 1.00 0.00 H new ATOM 0 HG2 MET A 495 -7.513 -1.759 4.266 1.00 0.00 H new ATOM 0 HG3 MET A 495 -8.483 -1.523 2.825 1.00 0.00 H new ATOM 0 HE1 MET A 495 -11.194 -4.292 3.033 1.00 0.00 H new ATOM 0 HE2 MET A 495 -10.279 -3.168 2.000 1.00 0.00 H new ATOM 0 HE3 MET A 495 -9.605 -4.769 2.388 1.00 0.00 H new ATOM 1621 N VAL A 496 -5.035 -0.334 3.070 1.00 0.00 N ATOM 1622 CA VAL A 496 -4.448 0.463 4.120 1.00 0.00 C ATOM 1623 C VAL A 496 -5.519 1.438 4.519 1.00 0.00 C ATOM 1624 O VAL A 496 -5.770 2.396 3.811 1.00 0.00 O ATOM 1625 CB VAL A 496 -3.209 1.280 3.632 1.00 0.00 C ATOM 1626 CG1 VAL A 496 -2.574 2.040 4.785 1.00 0.00 C ATOM 1627 CG2 VAL A 496 -2.184 0.389 2.977 1.00 0.00 C ATOM 0 H VAL A 496 -5.381 0.208 2.279 1.00 0.00 H new ATOM 0 HA VAL A 496 -4.107 -0.184 4.928 1.00 0.00 H new ATOM 0 HB VAL A 496 -3.564 1.995 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 496 -1.713 2.601 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 496 -3.303 2.729 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 496 -2.250 1.335 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 496 -1.336 0.990 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 496 -1.844 -0.360 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 496 -2.631 -0.108 2.116 1.00 0.00 H new ATOM 1684 N GLU A 500 -4.586 7.585 11.678 1.00 0.00 N ATOM 1685 CA GLU A 500 -4.604 8.354 12.892 1.00 0.00 C ATOM 1686 C GLU A 500 -5.249 7.654 14.062 1.00 0.00 C ATOM 1687 O GLU A 500 -4.889 7.933 15.169 1.00 0.00 O ATOM 1688 CB GLU A 500 -5.314 9.663 12.685 1.00 0.00 C ATOM 1689 CG GLU A 500 -4.728 10.544 11.609 1.00 0.00 C ATOM 1690 CD GLU A 500 -5.471 11.838 11.496 1.00 0.00 C ATOM 1691 OE1 GLU A 500 -5.147 12.784 12.238 1.00 0.00 O ATOM 1692 OE2 GLU A 500 -6.405 11.937 10.690 1.00 0.00 O ATOM 0 HA GLU A 500 -3.553 8.506 13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 500 -6.356 9.459 12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 500 -5.311 10.213 13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 500 -3.680 10.743 11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 500 -4.758 10.021 10.653 1.00 0.00 H new ATOM 1699 N LYS A 501 -6.196 6.766 13.824 1.00 0.00 N ATOM 1700 CA LYS A 501 -6.951 6.139 14.927 1.00 0.00 C ATOM 1701 C LYS A 501 -6.042 5.311 15.798 1.00 0.00 C ATOM 1702 O LYS A 501 -5.981 5.500 17.015 1.00 0.00 O ATOM 1703 CB LYS A 501 -8.061 5.259 14.384 1.00 0.00 C ATOM 1704 CG LYS A 501 -8.944 4.572 15.446 1.00 0.00 C ATOM 1705 CD LYS A 501 -9.773 5.530 16.328 1.00 0.00 C ATOM 1706 CE LYS A 501 -10.947 6.201 15.590 1.00 0.00 C ATOM 1707 NZ LYS A 501 -10.538 7.289 14.676 1.00 0.00 N ATOM 0 H LYS A 501 -6.469 6.456 12.892 1.00 0.00 H new ATOM 0 HA LYS A 501 -7.386 6.940 15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -8.700 5.865 13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -7.615 4.489 13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -9.625 3.887 14.942 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -8.306 3.969 16.092 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -10.163 4.976 17.182 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -9.116 6.304 16.724 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -11.485 5.444 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -11.645 6.601 16.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -11.113 8.135 14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -9.534 7.512 14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -10.679 6.986 13.691 1.00 0.00 H new ATOM 1721 N LYS A 502 -5.339 4.413 15.170 1.00 0.00 N ATOM 1722 CA LYS A 502 -4.429 3.545 15.880 1.00 0.00 C ATOM 1723 C LYS A 502 -3.290 4.363 16.487 1.00 0.00 C ATOM 1724 O LYS A 502 -2.863 4.114 17.609 1.00 0.00 O ATOM 1725 CB LYS A 502 -3.897 2.406 14.977 1.00 0.00 C ATOM 1726 CG LYS A 502 -2.934 2.838 13.871 1.00 0.00 C ATOM 1727 CD LYS A 502 -2.527 1.663 12.992 1.00 0.00 C ATOM 1728 CE LYS A 502 -3.621 1.271 12.006 1.00 0.00 C ATOM 1729 NZ LYS A 502 -3.850 2.337 11.013 1.00 0.00 N ATOM 0 H LYS A 502 -5.375 4.258 14.162 1.00 0.00 H new ATOM 0 HA LYS A 502 -4.978 3.066 16.691 1.00 0.00 H new ATOM 0 HB2 LYS A 502 -3.394 1.672 15.606 1.00 0.00 H new ATOM 0 HB3 LYS A 502 -4.748 1.903 14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 502 -3.405 3.606 13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 502 -2.045 3.285 14.316 1.00 0.00 H new ATOM 0 HD2 LYS A 502 -1.621 1.920 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 502 -2.286 0.807 13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 502 -3.341 0.349 11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 502 -4.546 1.069 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 502 -4.104 1.911 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 502 -4.624 2.952 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 502 -2.983 2.901 10.903 1.00 0.00 H new ATOM 1743 N ALA A 503 -2.876 5.402 15.772 1.00 0.00 N ATOM 1744 CA ALA A 503 -1.796 6.249 16.216 1.00 0.00 C ATOM 1745 C ALA A 503 -2.240 7.062 17.427 1.00 0.00 C ATOM 1746 O ALA A 503 -1.485 7.240 18.387 1.00 0.00 O ATOM 1747 CB ALA A 503 -1.363 7.153 15.084 1.00 0.00 C ATOM 0 H ALA A 503 -3.281 5.673 14.876 1.00 0.00 H new ATOM 0 HA ALA A 503 -0.945 5.635 16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -0.547 7.792 15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -1.026 6.547 14.243 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -2.204 7.772 14.771 1.00 0.00 H new ATOM 1753 N ARG A 504 -3.477 7.516 17.373 1.00 0.00 N ATOM 1754 CA ARG A 504 -4.130 8.296 18.416 1.00 0.00 C ATOM 1755 C ARG A 504 -4.086 7.561 19.731 1.00 0.00 C ATOM 1756 O ARG A 504 -3.660 8.107 20.746 1.00 0.00 O ATOM 1757 CB ARG A 504 -5.594 8.514 18.037 1.00 0.00 C ATOM 1758 CG ARG A 504 -6.389 9.350 19.004 1.00 0.00 C ATOM 1759 CD ARG A 504 -7.853 9.334 18.652 1.00 0.00 C ATOM 1760 NE ARG A 504 -8.608 10.267 19.472 1.00 0.00 N ATOM 1761 CZ ARG A 504 -9.560 9.941 20.337 1.00 0.00 C ATOM 1762 NH1 ARG A 504 -9.767 8.667 20.671 1.00 0.00 N ATOM 1763 NH2 ARG A 504 -10.269 10.899 20.908 1.00 0.00 N ATOM 0 H ARG A 504 -4.083 7.347 16.570 1.00 0.00 H new ATOM 0 HA ARG A 504 -3.610 9.249 18.515 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -5.632 8.987 17.056 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -6.076 7.541 17.941 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -6.250 8.972 20.017 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -6.020 10.375 18.993 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -7.978 9.589 17.600 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -8.249 8.327 18.785 1.00 0.00 H new ATOM 0 HE ARG A 504 -8.387 11.258 19.374 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -9.191 7.932 20.261 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -10.501 8.427 21.337 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -10.082 11.876 20.682 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -11.004 10.662 21.575 1.00 0.00 H new ATOM 1777 N GLN A 505 -4.494 6.306 19.691 1.00 0.00 N ATOM 1778 CA GLN A 505 -4.592 5.503 20.886 1.00 0.00 C ATOM 1779 C GLN A 505 -3.206 5.169 21.434 1.00 0.00 C ATOM 1780 O GLN A 505 -3.042 4.949 22.641 1.00 0.00 O ATOM 1781 CB GLN A 505 -5.415 4.235 20.627 1.00 0.00 C ATOM 1782 CG GLN A 505 -6.765 4.500 19.932 1.00 0.00 C ATOM 1783 CD GLN A 505 -7.656 5.518 20.648 1.00 0.00 C ATOM 1784 OE1 GLN A 505 -8.421 6.252 20.005 1.00 0.00 O ATOM 1785 NE2 GLN A 505 -7.619 5.538 21.948 1.00 0.00 N ATOM 0 H GLN A 505 -4.764 5.822 18.835 1.00 0.00 H new ATOM 0 HA GLN A 505 -5.114 6.085 21.645 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -4.829 3.552 20.012 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -5.598 3.732 21.576 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -6.575 4.852 18.918 1.00 0.00 H new ATOM 0 HG3 GLN A 505 -7.307 3.558 19.846 1.00 0.00 H new ATOM 0 HE21 GLN A 505 -6.979 4.922 22.450 1.00 0.00 H new ATOM 0 HE22 GLN A 505 -8.230 6.169 22.466 1.00 0.00 H new ATOM 1794 N ILE A 506 -2.212 5.148 20.554 1.00 0.00 N ATOM 1795 CA ILE A 506 -0.838 4.929 20.967 1.00 0.00 C ATOM 1796 C ILE A 506 -0.302 6.190 21.649 1.00 0.00 C ATOM 1797 O ILE A 506 0.341 6.114 22.700 1.00 0.00 O ATOM 1798 CB ILE A 506 0.090 4.509 19.776 1.00 0.00 C ATOM 1799 CG1 ILE A 506 -0.361 3.165 19.172 1.00 0.00 C ATOM 1800 CG2 ILE A 506 1.562 4.441 20.195 1.00 0.00 C ATOM 1801 CD1 ILE A 506 -0.371 1.999 20.147 1.00 0.00 C ATOM 0 H ILE A 506 -2.336 5.280 19.550 1.00 0.00 H new ATOM 0 HA ILE A 506 -0.833 4.097 21.672 1.00 0.00 H new ATOM 0 HB ILE A 506 -0.001 5.281 19.012 1.00 0.00 H new ATOM 0 HG12 ILE A 506 -1.363 3.286 18.761 1.00 0.00 H new ATOM 0 HG13 ILE A 506 0.297 2.918 18.339 1.00 0.00 H new ATOM 0 HG21 ILE A 506 2.170 4.146 19.340 1.00 0.00 H new ATOM 0 HG22 ILE A 506 1.885 5.420 20.550 1.00 0.00 H new ATOM 0 HG23 ILE A 506 1.680 3.708 20.994 1.00 0.00 H new ATOM 0 HD11 ILE A 506 -0.702 1.097 19.632 1.00 0.00 H new ATOM 0 HD12 ILE A 506 0.634 1.845 20.540 1.00 0.00 H new ATOM 0 HD13 ILE A 506 -1.053 2.218 20.969 1.00 0.00 H new ATOM 1813 N GLY A 507 -0.620 7.342 21.093 1.00 0.00 N ATOM 1814 CA GLY A 507 -0.161 8.583 21.681 1.00 0.00 C ATOM 1815 C GLY A 507 -0.354 9.794 20.786 1.00 0.00 C ATOM 1816 O GLY A 507 -0.327 10.922 21.258 1.00 0.00 O ATOM 0 H GLY A 507 -1.184 7.444 20.250 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -0.692 8.748 22.619 1.00 0.00 H new ATOM 0 HA3 GLY A 507 0.897 8.489 21.926 1.00 0.00 H new