USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 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= 0.106 K(o=0.11,f=-5.7!) USER MOD Set 1.2: A 466 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 454 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 455 THR OG1 : rot 163:sc= 1.06 USER MOD Set 3.1: A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 505 GLN : amide:sc= -2.44! C(o=-2.4!,f=-5.8!) USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -179:sc= 1.49 (180deg=1.49) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -49:sc= -0.121 USER MOD Single : A 440 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.7!) USER MOD Single : A 443 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl 169:sc= -5.76! (180deg=-6!) USER MOD Single : A 471 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00634) USER MOD Single : A 476 SER OG : rot -36:sc= 0.678 USER MOD Single : A 477 MET CE :methyl -162:sc= -0.12 (180deg=-0.524) USER MOD Single : A 482 THR OG1 : rot -100:sc= 0.963 USER MOD Single : A 485 HIS : no HD1:sc= -0.0568 X(o=-0.057,f=-0.057) USER MOD Single : A 489 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 495 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 501 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.07) USER MOD Single : A 502 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 470 N VAL A 419 -9.336 0.902 -2.225 1.00 0.00 N ATOM 471 CA VAL A 419 -8.197 0.053 -1.992 1.00 0.00 C ATOM 472 C VAL A 419 -7.174 0.460 -3.016 1.00 0.00 C ATOM 473 O VAL A 419 -7.542 1.100 -4.005 1.00 0.00 O ATOM 474 CB VAL A 419 -8.528 -1.484 -2.126 1.00 0.00 C ATOM 475 CG1 VAL A 419 -9.407 -1.964 -0.988 1.00 0.00 C ATOM 476 CG2 VAL A 419 -9.200 -1.796 -3.447 1.00 0.00 C ATOM 0 HA VAL A 419 -7.843 0.178 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 419 -7.576 -2.012 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 419 -9.615 -3.027 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 419 -8.894 -1.803 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 419 -10.344 -1.408 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 419 -9.413 -2.864 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 419 -10.132 -1.236 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 419 -8.539 -1.514 -4.267 1.00 0.00 H new ATOM 486 N GLY A 420 -5.945 0.115 -2.816 1.00 0.00 N ATOM 487 CA GLY A 420 -4.916 0.549 -3.721 1.00 0.00 C ATOM 488 C GLY A 420 -4.412 -0.591 -4.552 1.00 0.00 C ATOM 489 O GLY A 420 -4.671 -1.755 -4.227 1.00 0.00 O ATOM 0 H GLY A 420 -5.623 -0.463 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 420 -5.306 1.332 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 420 -4.091 0.984 -3.157 1.00 0.00 H new ATOM 493 N THR A 421 -3.689 -0.284 -5.590 1.00 0.00 N ATOM 494 CA THR A 421 -3.160 -1.296 -6.459 1.00 0.00 C ATOM 495 C THR A 421 -1.639 -1.286 -6.349 1.00 0.00 C ATOM 496 O THR A 421 -1.024 -0.215 -6.174 1.00 0.00 O ATOM 497 CB THR A 421 -3.555 -1.012 -7.923 1.00 0.00 C ATOM 498 OG1 THR A 421 -4.878 -0.452 -7.949 1.00 0.00 O ATOM 499 CG2 THR A 421 -3.575 -2.312 -8.715 1.00 0.00 C ATOM 0 H THR A 421 -3.450 0.671 -5.858 1.00 0.00 H new ATOM 0 HA THR A 421 -3.563 -2.265 -6.166 1.00 0.00 H new ATOM 0 HB THR A 421 -2.833 -0.322 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 421 -5.137 -0.267 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 421 -3.855 -2.105 -9.748 1.00 0.00 H new ATOM 0 HG22 THR A 421 -2.585 -2.768 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 421 -4.300 -2.996 -8.273 1.00 0.00 H new ATOM 507 N VAL A 422 -1.042 -2.442 -6.402 1.00 0.00 N ATOM 508 CA VAL A 422 0.392 -2.537 -6.380 1.00 0.00 C ATOM 509 C VAL A 422 0.888 -2.364 -7.808 1.00 0.00 C ATOM 510 O VAL A 422 0.377 -3.007 -8.723 1.00 0.00 O ATOM 511 CB VAL A 422 0.884 -3.900 -5.824 1.00 0.00 C ATOM 512 CG1 VAL A 422 2.401 -3.920 -5.734 1.00 0.00 C ATOM 513 CG2 VAL A 422 0.262 -4.196 -4.465 1.00 0.00 C ATOM 0 H VAL A 422 -1.528 -3.337 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 422 0.785 -1.763 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 422 0.566 -4.681 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 422 2.730 -4.883 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.826 -3.768 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.737 -3.124 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 422 0.625 -5.157 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 422 0.539 -3.412 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -0.823 -4.231 -4.561 1.00 0.00 H new ATOM 523 N ILE A 423 1.856 -1.514 -8.010 1.00 0.00 N ATOM 524 CA ILE A 423 2.333 -1.256 -9.351 1.00 0.00 C ATOM 525 C ILE A 423 3.443 -2.219 -9.750 1.00 0.00 C ATOM 526 O ILE A 423 3.527 -2.644 -10.909 1.00 0.00 O ATOM 527 CB ILE A 423 2.739 0.220 -9.573 1.00 0.00 C ATOM 528 CG1 ILE A 423 3.769 0.695 -8.542 1.00 0.00 C ATOM 529 CG2 ILE A 423 1.506 1.110 -9.552 1.00 0.00 C ATOM 530 CD1 ILE A 423 4.183 2.148 -8.702 1.00 0.00 C ATOM 0 H ILE A 423 2.330 -0.990 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 423 1.489 -1.439 -10.016 1.00 0.00 H new ATOM 0 HB ILE A 423 3.212 0.290 -10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 423 3.358 0.554 -7.542 1.00 0.00 H new ATOM 0 HG13 ILE A 423 4.656 0.066 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 423 1.803 2.147 -9.709 1.00 0.00 H new ATOM 0 HG22 ILE A 423 0.823 0.804 -10.344 1.00 0.00 H new ATOM 0 HG23 ILE A 423 1.007 1.018 -8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 423 4.913 2.405 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 423 4.626 2.294 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 423 3.308 2.789 -8.599 1.00 0.00 H new ATOM 542 N GLU A 424 4.276 -2.563 -8.802 1.00 0.00 N ATOM 543 CA GLU A 424 5.326 -3.550 -8.994 1.00 0.00 C ATOM 544 C GLU A 424 5.765 -4.064 -7.642 1.00 0.00 C ATOM 545 O GLU A 424 5.625 -3.379 -6.644 1.00 0.00 O ATOM 546 CB GLU A 424 6.538 -2.979 -9.757 1.00 0.00 C ATOM 547 CG GLU A 424 7.195 -1.804 -9.069 1.00 0.00 C ATOM 548 CD GLU A 424 8.513 -1.425 -9.669 1.00 0.00 C ATOM 549 OE1 GLU A 424 9.526 -2.085 -9.361 1.00 0.00 O ATOM 550 OE2 GLU A 424 8.572 -0.471 -10.460 1.00 0.00 O ATOM 0 H GLU A 424 4.250 -2.166 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 424 4.921 -4.360 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 424 7.277 -3.769 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.217 -2.672 -10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.524 -0.946 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.339 -2.043 -8.015 1.00 0.00 H new ATOM 557 N ALA A 425 6.262 -5.256 -7.609 1.00 0.00 N ATOM 558 CA ALA A 425 6.742 -5.855 -6.396 1.00 0.00 C ATOM 559 C ALA A 425 7.815 -6.819 -6.769 1.00 0.00 C ATOM 560 O ALA A 425 7.715 -7.457 -7.832 1.00 0.00 O ATOM 561 CB ALA A 425 5.615 -6.568 -5.668 1.00 0.00 C ATOM 0 H ALA A 425 6.350 -5.854 -8.431 1.00 0.00 H new ATOM 0 HA ALA A 425 7.131 -5.091 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 425 6.000 -7.015 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 425 4.831 -5.852 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 425 5.205 -7.349 -6.308 1.00 0.00 H new ATOM 567 N LYS A 426 8.839 -6.924 -5.960 1.00 0.00 N ATOM 568 CA LYS A 426 9.925 -7.825 -6.262 1.00 0.00 C ATOM 569 C LYS A 426 10.749 -8.057 -5.010 1.00 0.00 C ATOM 570 O LYS A 426 10.471 -7.469 -3.958 1.00 0.00 O ATOM 571 CB LYS A 426 10.824 -7.304 -7.445 1.00 0.00 C ATOM 572 CG LYS A 426 12.038 -6.417 -7.082 1.00 0.00 C ATOM 573 CD LYS A 426 11.710 -5.039 -6.467 1.00 0.00 C ATOM 574 CE LYS A 426 10.909 -4.144 -7.397 1.00 0.00 C ATOM 575 NZ LYS A 426 10.831 -2.717 -6.939 1.00 0.00 N ATOM 0 H LYS A 426 8.945 -6.400 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 426 9.499 -8.771 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 426 11.193 -8.170 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 426 10.188 -6.741 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 426 12.667 -6.965 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 426 12.630 -6.259 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 426 11.151 -5.185 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 426 12.640 -4.536 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 426 11.356 -4.174 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 426 9.899 -4.543 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 10.257 -2.168 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 10.393 -2.678 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 11.789 -2.314 -6.893 1.00 0.00 H new ATOM 589 N LEU A 427 11.711 -8.914 -5.108 1.00 0.00 N ATOM 590 CA LEU A 427 12.610 -9.164 -4.020 1.00 0.00 C ATOM 591 C LEU A 427 13.721 -8.138 -4.063 1.00 0.00 C ATOM 592 O LEU A 427 14.158 -7.720 -5.138 1.00 0.00 O ATOM 593 CB LEU A 427 13.221 -10.577 -4.106 1.00 0.00 C ATOM 594 CG LEU A 427 14.391 -10.811 -5.109 1.00 0.00 C ATOM 595 CD1 LEU A 427 14.968 -12.204 -4.941 1.00 0.00 C ATOM 596 CD2 LEU A 427 13.936 -10.617 -6.545 1.00 0.00 C ATOM 0 H LEU A 427 11.900 -9.465 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 427 12.052 -9.093 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 427 13.575 -10.848 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 427 12.420 -11.272 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 427 15.163 -10.073 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 427 15.783 -12.348 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 427 15.345 -12.321 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 427 14.190 -12.945 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 427 14.776 -10.787 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 427 13.139 -11.324 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 427 13.567 -9.600 -6.675 1.00 0.00 H new ATOM 608 N ASP A 428 14.151 -7.718 -2.947 1.00 0.00 N ATOM 609 CA ASP A 428 15.249 -6.812 -2.883 1.00 0.00 C ATOM 610 C ASP A 428 16.295 -7.374 -1.970 1.00 0.00 C ATOM 611 O ASP A 428 16.003 -7.790 -0.854 1.00 0.00 O ATOM 612 CB ASP A 428 14.828 -5.423 -2.428 1.00 0.00 C ATOM 613 CG ASP A 428 15.975 -4.454 -2.463 1.00 0.00 C ATOM 614 OD1 ASP A 428 16.242 -3.868 -3.519 1.00 0.00 O ATOM 615 OD2 ASP A 428 16.634 -4.279 -1.439 1.00 0.00 O ATOM 0 H ASP A 428 13.762 -7.984 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 428 15.655 -6.698 -3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 428 14.025 -5.059 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 428 14.429 -5.478 -1.415 1.00 0.00 H new ATOM 620 N LYS A 429 17.500 -7.399 -2.452 1.00 0.00 N ATOM 621 CA LYS A 429 18.645 -7.943 -1.731 1.00 0.00 C ATOM 622 C LYS A 429 18.983 -7.146 -0.471 1.00 0.00 C ATOM 623 O LYS A 429 19.545 -7.688 0.475 1.00 0.00 O ATOM 624 CB LYS A 429 19.899 -8.083 -2.641 1.00 0.00 C ATOM 625 CG LYS A 429 20.189 -6.868 -3.515 1.00 0.00 C ATOM 626 CD LYS A 429 19.372 -6.924 -4.795 1.00 0.00 C ATOM 627 CE LYS A 429 19.019 -5.552 -5.317 1.00 0.00 C ATOM 628 NZ LYS A 429 20.189 -4.793 -5.784 1.00 0.00 N ATOM 0 H LYS A 429 17.736 -7.038 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 429 18.344 -8.942 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 429 20.768 -8.277 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 429 19.770 -8.954 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 429 19.955 -5.955 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 429 21.251 -6.832 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 429 19.933 -7.466 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 429 18.456 -7.487 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 429 18.309 -5.654 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 429 18.518 -4.988 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 19.883 -3.861 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 20.858 -4.668 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 20.655 -5.313 -6.555 1.00 0.00 H new ATOM 642 N GLY A 430 18.610 -5.896 -0.443 1.00 0.00 N ATOM 643 CA GLY A 430 18.941 -5.066 0.673 1.00 0.00 C ATOM 644 C GLY A 430 17.811 -4.956 1.676 1.00 0.00 C ATOM 645 O GLY A 430 18.020 -5.122 2.869 1.00 0.00 O ATOM 0 H GLY A 430 18.078 -5.434 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 430 19.824 -5.468 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 430 19.202 -4.070 0.315 1.00 0.00 H new ATOM 649 N ARG A 431 16.616 -4.695 1.192 1.00 0.00 N ATOM 650 CA ARG A 431 15.467 -4.478 2.068 1.00 0.00 C ATOM 651 C ARG A 431 14.688 -5.759 2.366 1.00 0.00 C ATOM 652 O ARG A 431 14.140 -5.918 3.462 1.00 0.00 O ATOM 653 CB ARG A 431 14.516 -3.437 1.468 1.00 0.00 C ATOM 654 CG ARG A 431 15.121 -2.054 1.244 1.00 0.00 C ATOM 655 CD ARG A 431 15.614 -1.434 2.541 1.00 0.00 C ATOM 656 NE ARG A 431 16.204 -0.108 2.320 1.00 0.00 N ATOM 657 CZ ARG A 431 17.298 0.360 2.932 1.00 0.00 C ATOM 658 NH1 ARG A 431 17.898 -0.354 3.884 1.00 0.00 N ATOM 659 NH2 ARG A 431 17.774 1.553 2.604 1.00 0.00 N ATOM 0 H ARG A 431 16.407 -4.626 0.196 1.00 0.00 H new ATOM 0 HA ARG A 431 15.874 -4.114 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 431 14.147 -3.813 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 431 13.653 -3.336 2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 431 15.950 -2.130 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 431 14.376 -1.401 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 431 14.784 -1.351 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 431 16.354 -2.090 2.999 1.00 0.00 H new ATOM 0 HE ARG A 431 15.744 0.505 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 431 17.524 -1.264 4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 431 18.732 0.010 4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 431 17.307 2.109 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 431 18.608 1.915 3.067 1.00 0.00 H new ATOM 673 N GLY A 432 14.634 -6.655 1.417 1.00 0.00 N ATOM 674 CA GLY A 432 13.845 -7.851 1.581 1.00 0.00 C ATOM 675 C GLY A 432 12.661 -7.814 0.646 1.00 0.00 C ATOM 676 O GLY A 432 12.832 -7.485 -0.523 1.00 0.00 O ATOM 0 H GLY A 432 15.124 -6.582 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 432 14.455 -8.731 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 432 13.503 -7.934 2.613 1.00 0.00 H new ATOM 680 N PRO A 433 11.451 -8.146 1.099 1.00 0.00 N ATOM 681 CA PRO A 433 10.264 -8.040 0.262 1.00 0.00 C ATOM 682 C PRO A 433 9.825 -6.579 0.124 1.00 0.00 C ATOM 683 O PRO A 433 9.441 -5.940 1.115 1.00 0.00 O ATOM 684 CB PRO A 433 9.193 -8.837 1.037 1.00 0.00 C ATOM 685 CG PRO A 433 9.919 -9.503 2.162 1.00 0.00 C ATOM 686 CD PRO A 433 11.137 -8.671 2.426 1.00 0.00 C ATOM 0 HA PRO A 433 10.433 -8.413 -0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 433 8.410 -8.178 1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 433 8.710 -9.572 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 433 9.289 -9.563 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 433 10.195 -10.524 1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 433 10.937 -7.874 3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 433 11.955 -9.266 2.832 1.00 0.00 H new ATOM 694 N VAL A 434 9.877 -6.063 -1.085 1.00 0.00 N ATOM 695 CA VAL A 434 9.495 -4.691 -1.348 1.00 0.00 C ATOM 696 C VAL A 434 8.312 -4.657 -2.308 1.00 0.00 C ATOM 697 O VAL A 434 8.170 -5.540 -3.177 1.00 0.00 O ATOM 698 CB VAL A 434 10.671 -3.858 -1.952 1.00 0.00 C ATOM 699 CG1 VAL A 434 11.873 -3.850 -1.054 1.00 0.00 C ATOM 700 CG2 VAL A 434 11.069 -4.366 -3.302 1.00 0.00 C ATOM 0 H VAL A 434 10.183 -6.579 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 434 9.220 -4.243 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 434 10.301 -2.837 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 434 12.666 -3.260 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 434 11.606 -3.413 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 434 12.222 -4.872 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 434 11.889 -3.762 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 434 11.390 -5.404 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 434 10.218 -4.302 -3.980 1.00 0.00 H new ATOM 710 N ALA A 435 7.477 -3.671 -2.163 1.00 0.00 N ATOM 711 CA ALA A 435 6.325 -3.530 -3.018 1.00 0.00 C ATOM 712 C ALA A 435 6.060 -2.078 -3.302 1.00 0.00 C ATOM 713 O ALA A 435 5.754 -1.310 -2.387 1.00 0.00 O ATOM 714 CB ALA A 435 5.103 -4.173 -2.383 1.00 0.00 C ATOM 0 H ALA A 435 7.570 -2.943 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 435 6.532 -4.040 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 435 4.245 -4.055 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 435 5.293 -5.234 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 435 4.893 -3.692 -1.428 1.00 0.00 H new ATOM 720 N THR A 436 6.211 -1.696 -4.538 1.00 0.00 N ATOM 721 CA THR A 436 5.931 -0.366 -4.955 1.00 0.00 C ATOM 722 C THR A 436 4.441 -0.331 -5.257 1.00 0.00 C ATOM 723 O THR A 436 3.950 -1.062 -6.132 1.00 0.00 O ATOM 724 CB THR A 436 6.719 -0.032 -6.227 1.00 0.00 C ATOM 725 OG1 THR A 436 7.995 -0.728 -6.198 1.00 0.00 O ATOM 726 CG2 THR A 436 6.980 1.469 -6.305 1.00 0.00 C ATOM 0 H THR A 436 6.535 -2.310 -5.285 1.00 0.00 H new ATOM 0 HA THR A 436 6.211 0.358 -4.189 1.00 0.00 H new ATOM 0 HB THR A 436 6.138 -0.344 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 436 8.427 -0.582 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 436 7.540 1.694 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 436 6.030 2.003 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 436 7.557 1.784 -5.435 1.00 0.00 H new ATOM 734 N LEU A 437 3.724 0.444 -4.535 1.00 0.00 N ATOM 735 CA LEU A 437 2.306 0.462 -4.650 1.00 0.00 C ATOM 736 C LEU A 437 1.765 1.879 -4.736 1.00 0.00 C ATOM 737 O LEU A 437 2.510 2.843 -4.555 1.00 0.00 O ATOM 738 CB LEU A 437 1.696 -0.340 -3.476 1.00 0.00 C ATOM 739 CG LEU A 437 2.183 -0.010 -2.036 1.00 0.00 C ATOM 740 CD1 LEU A 437 1.830 1.396 -1.620 1.00 0.00 C ATOM 741 CD2 LEU A 437 1.605 -0.990 -1.040 1.00 0.00 C ATOM 0 H LEU A 437 4.101 1.090 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 437 2.012 -0.017 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 437 0.615 -0.202 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 437 1.887 -1.397 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 437 3.270 -0.094 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.191 1.577 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 437 2.295 2.106 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 437 0.748 1.523 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.958 -0.742 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 437 0.517 -0.935 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 437 1.923 -2.000 -1.297 1.00 0.00 H new ATOM 753 N LEU A 438 0.494 1.998 -5.015 1.00 0.00 N ATOM 754 CA LEU A 438 -0.154 3.284 -5.073 1.00 0.00 C ATOM 755 C LEU A 438 -1.282 3.267 -4.026 1.00 0.00 C ATOM 756 O LEU A 438 -2.299 2.587 -4.208 1.00 0.00 O ATOM 757 CB LEU A 438 -0.704 3.506 -6.513 1.00 0.00 C ATOM 758 CG LEU A 438 -1.084 4.943 -6.975 1.00 0.00 C ATOM 759 CD1 LEU A 438 -2.167 5.574 -6.130 1.00 0.00 C ATOM 760 CD2 LEU A 438 0.134 5.845 -7.043 1.00 0.00 C ATOM 0 H LEU A 438 -0.122 1.208 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 438 0.531 4.103 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 438 0.043 3.125 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -1.591 2.882 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 438 -1.493 4.833 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -2.385 6.574 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -3.069 4.964 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -1.829 5.640 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -0.168 6.840 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 438 0.594 5.910 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 438 0.852 5.434 -7.752 1.00 0.00 H new ATOM 772 N VAL A 439 -1.083 3.970 -2.921 1.00 0.00 N ATOM 773 CA VAL A 439 -2.063 3.970 -1.837 1.00 0.00 C ATOM 774 C VAL A 439 -3.239 4.884 -2.133 1.00 0.00 C ATOM 775 O VAL A 439 -3.070 6.053 -2.446 1.00 0.00 O ATOM 776 CB VAL A 439 -1.432 4.291 -0.437 1.00 0.00 C ATOM 777 CG1 VAL A 439 -0.722 5.639 -0.415 1.00 0.00 C ATOM 778 CG2 VAL A 439 -2.479 4.213 0.677 1.00 0.00 C ATOM 0 H VAL A 439 -0.259 4.545 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 439 -2.441 2.949 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 439 -0.678 3.526 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 439 -0.303 5.813 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.080 5.640 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 439 -1.434 6.429 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 439 -2.010 4.441 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 439 -3.273 4.934 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 439 -2.901 3.209 0.710 1.00 0.00 H new ATOM 788 N GLN A 440 -4.424 4.316 -2.091 1.00 0.00 N ATOM 789 CA GLN A 440 -5.648 5.076 -2.319 1.00 0.00 C ATOM 790 C GLN A 440 -6.595 4.917 -1.167 1.00 0.00 C ATOM 791 O GLN A 440 -7.507 5.701 -0.986 1.00 0.00 O ATOM 792 CB GLN A 440 -6.339 4.637 -3.603 1.00 0.00 C ATOM 793 CG GLN A 440 -5.600 4.993 -4.879 1.00 0.00 C ATOM 794 CD GLN A 440 -5.550 6.489 -5.154 1.00 0.00 C ATOM 795 OE1 GLN A 440 -5.543 7.318 -4.246 1.00 0.00 O ATOM 796 NE2 GLN A 440 -5.522 6.845 -6.408 1.00 0.00 N ATOM 0 H GLN A 440 -4.573 3.325 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 440 -5.366 6.125 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 440 -6.480 3.557 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 440 -7.331 5.087 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 440 -4.582 4.608 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 440 -6.081 4.493 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 440 -5.529 6.135 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 440 -5.493 7.834 -6.657 1.00 0.00 H new ATOM 805 N ALA A 441 -6.327 3.918 -0.363 1.00 0.00 N ATOM 806 CA ALA A 441 -7.254 3.474 0.637 1.00 0.00 C ATOM 807 C ALA A 441 -7.283 4.362 1.866 1.00 0.00 C ATOM 808 O ALA A 441 -8.208 4.269 2.666 1.00 0.00 O ATOM 809 CB ALA A 441 -6.951 2.039 1.004 1.00 0.00 C ATOM 0 H ALA A 441 -5.454 3.390 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 441 -8.254 3.539 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.655 1.701 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -7.043 1.410 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.936 1.970 1.394 1.00 0.00 H new ATOM 815 N GLY A 442 -6.280 5.208 2.012 1.00 0.00 N ATOM 816 CA GLY A 442 -6.228 6.079 3.152 1.00 0.00 C ATOM 817 C GLY A 442 -4.904 6.786 3.263 1.00 0.00 C ATOM 818 O GLY A 442 -4.635 7.724 2.537 1.00 0.00 O ATOM 0 H GLY A 442 -5.502 5.304 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 442 -7.028 6.816 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 442 -6.407 5.501 4.058 1.00 0.00 H new ATOM 822 N THR A 443 -4.071 6.322 4.141 1.00 0.00 N ATOM 823 CA THR A 443 -2.774 6.929 4.391 1.00 0.00 C ATOM 824 C THR A 443 -1.811 5.820 4.789 1.00 0.00 C ATOM 825 O THR A 443 -2.152 4.988 5.624 1.00 0.00 O ATOM 826 CB THR A 443 -2.876 7.981 5.537 1.00 0.00 C ATOM 827 OG1 THR A 443 -3.921 8.920 5.231 1.00 0.00 O ATOM 828 CG2 THR A 443 -1.562 8.743 5.705 1.00 0.00 C ATOM 0 H THR A 443 -4.262 5.503 4.718 1.00 0.00 H new ATOM 0 HA THR A 443 -2.421 7.441 3.496 1.00 0.00 H new ATOM 0 HB THR A 443 -3.096 7.453 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 443 -3.988 9.581 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 443 -1.663 9.470 6.511 1.00 0.00 H new ATOM 0 HG22 THR A 443 -0.763 8.042 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 443 -1.321 9.262 4.777 1.00 0.00 H new ATOM 836 N LEU A 444 -0.646 5.789 4.192 1.00 0.00 N ATOM 837 CA LEU A 444 0.297 4.720 4.447 1.00 0.00 C ATOM 838 C LEU A 444 1.434 5.303 5.276 1.00 0.00 C ATOM 839 O LEU A 444 1.862 6.427 5.034 1.00 0.00 O ATOM 840 CB LEU A 444 0.806 4.167 3.097 1.00 0.00 C ATOM 841 CG LEU A 444 1.026 2.638 2.977 1.00 0.00 C ATOM 842 CD1 LEU A 444 1.368 2.293 1.572 1.00 0.00 C ATOM 843 CD2 LEU A 444 2.120 2.137 3.873 1.00 0.00 C ATOM 0 H LEU A 444 -0.324 6.490 3.525 1.00 0.00 H new ATOM 0 HA LEU A 444 -0.162 3.896 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 444 0.097 4.464 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 444 1.751 4.660 2.869 1.00 0.00 H new ATOM 0 HG LEU A 444 0.096 2.159 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 444 1.523 1.217 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 444 0.553 2.594 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 444 2.280 2.814 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 444 2.229 1.060 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 444 3.057 2.630 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 444 1.870 2.357 4.911 1.00 0.00 H new ATOM 855 N LYS A 445 1.899 4.573 6.259 1.00 0.00 N ATOM 856 CA LYS A 445 2.940 5.064 7.133 1.00 0.00 C ATOM 857 C LYS A 445 3.805 3.895 7.605 1.00 0.00 C ATOM 858 O LYS A 445 3.338 2.753 7.648 1.00 0.00 O ATOM 859 CB LYS A 445 2.312 5.744 8.345 1.00 0.00 C ATOM 860 CG LYS A 445 3.321 6.344 9.309 1.00 0.00 C ATOM 861 CD LYS A 445 2.814 6.335 10.730 1.00 0.00 C ATOM 862 CE LYS A 445 2.572 4.913 11.236 1.00 0.00 C ATOM 863 NZ LYS A 445 2.114 4.893 12.630 1.00 0.00 N ATOM 0 H LYS A 445 1.572 3.631 6.476 1.00 0.00 H new ATOM 0 HA LYS A 445 3.556 5.781 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.642 6.531 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.701 5.017 8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 445 4.254 5.784 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 445 3.545 7.368 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 445 3.536 6.833 11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 445 1.887 6.905 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 445 1.830 4.425 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 445 3.493 4.336 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 1.962 3.909 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 2.833 5.335 13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 1.221 5.421 12.710 1.00 0.00 H new ATOM 877 N VAL A 446 5.057 4.173 7.931 1.00 0.00 N ATOM 878 CA VAL A 446 5.942 3.162 8.445 1.00 0.00 C ATOM 879 C VAL A 446 5.547 2.769 9.857 1.00 0.00 C ATOM 880 O VAL A 446 5.252 3.621 10.700 1.00 0.00 O ATOM 881 CB VAL A 446 7.437 3.563 8.378 1.00 0.00 C ATOM 882 CG1 VAL A 446 7.842 3.858 6.961 1.00 0.00 C ATOM 883 CG2 VAL A 446 7.741 4.752 9.258 1.00 0.00 C ATOM 0 H VAL A 446 5.477 5.098 7.845 1.00 0.00 H new ATOM 0 HA VAL A 446 5.832 2.296 7.792 1.00 0.00 H new ATOM 0 HB VAL A 446 8.015 2.716 8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 446 8.895 4.138 6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 446 7.686 2.972 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 446 7.239 4.679 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 446 8.800 5.000 9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 446 7.144 5.605 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 446 7.499 4.510 10.293 1.00 0.00 H new ATOM 893 N GLY A 447 5.523 1.492 10.104 1.00 0.00 N ATOM 894 CA GLY A 447 5.122 1.003 11.384 1.00 0.00 C ATOM 895 C GLY A 447 3.630 0.796 11.462 1.00 0.00 C ATOM 896 O GLY A 447 3.094 0.518 12.532 1.00 0.00 O ATOM 0 H GLY A 447 5.778 0.770 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 447 5.631 0.061 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 447 5.432 1.707 12.156 1.00 0.00 H new ATOM 900 N ASP A 448 2.956 0.917 10.343 1.00 0.00 N ATOM 901 CA ASP A 448 1.517 0.727 10.314 1.00 0.00 C ATOM 902 C ASP A 448 1.229 -0.636 9.679 1.00 0.00 C ATOM 903 O ASP A 448 1.893 -1.000 8.689 1.00 0.00 O ATOM 904 CB ASP A 448 0.855 1.835 9.483 1.00 0.00 C ATOM 905 CG ASP A 448 -0.544 2.183 9.957 1.00 0.00 C ATOM 906 OD1 ASP A 448 -1.469 1.370 9.822 1.00 0.00 O ATOM 907 OD2 ASP A 448 -0.722 3.292 10.515 1.00 0.00 O ATOM 0 H ASP A 448 3.375 1.145 9.441 1.00 0.00 H new ATOM 0 HA ASP A 448 1.115 0.768 11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 448 1.477 2.729 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 448 0.811 1.521 8.440 1.00 0.00 H new ATOM 912 N PRO A 449 0.350 -1.456 10.290 1.00 0.00 N ATOM 913 CA PRO A 449 -0.072 -2.744 9.714 1.00 0.00 C ATOM 914 C PRO A 449 -0.885 -2.545 8.424 1.00 0.00 C ATOM 915 O PRO A 449 -1.914 -1.853 8.411 1.00 0.00 O ATOM 916 CB PRO A 449 -0.954 -3.374 10.801 1.00 0.00 C ATOM 917 CG PRO A 449 -0.648 -2.612 12.044 1.00 0.00 C ATOM 918 CD PRO A 449 -0.270 -1.228 11.605 1.00 0.00 C ATOM 0 HA PRO A 449 0.782 -3.365 9.442 1.00 0.00 H new ATOM 0 HB2 PRO A 449 -2.010 -3.299 10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 449 -0.731 -4.434 10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 449 -1.512 -2.587 12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 449 0.166 -3.081 12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 449 -1.140 -0.575 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 449 0.424 -0.759 12.302 1.00 0.00 H new ATOM 926 N ILE A 450 -0.429 -3.156 7.366 1.00 0.00 N ATOM 927 CA ILE A 450 -1.032 -3.024 6.060 1.00 0.00 C ATOM 928 C ILE A 450 -1.437 -4.394 5.518 1.00 0.00 C ATOM 929 O ILE A 450 -0.828 -5.395 5.873 1.00 0.00 O ATOM 930 CB ILE A 450 -0.059 -2.271 5.080 1.00 0.00 C ATOM 931 CG1 ILE A 450 1.353 -2.925 5.012 1.00 0.00 C ATOM 932 CG2 ILE A 450 0.070 -0.812 5.486 1.00 0.00 C ATOM 933 CD1 ILE A 450 1.470 -4.147 4.116 1.00 0.00 C ATOM 0 H ILE A 450 0.385 -3.771 7.383 1.00 0.00 H new ATOM 0 HA ILE A 450 -1.939 -2.425 6.147 1.00 0.00 H new ATOM 0 HB ILE A 450 -0.497 -2.343 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 450 2.065 -2.175 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 450 1.652 -3.207 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 450 0.746 -0.302 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.910 -0.336 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.467 -0.750 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.493 -4.521 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 450 0.791 -4.923 4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 450 1.210 -3.874 3.093 1.00 0.00 H new ATOM 945 N VAL A 451 -2.456 -4.441 4.679 1.00 0.00 N ATOM 946 CA VAL A 451 -2.942 -5.707 4.130 1.00 0.00 C ATOM 947 C VAL A 451 -2.830 -5.681 2.607 1.00 0.00 C ATOM 948 O VAL A 451 -3.385 -4.787 1.976 1.00 0.00 O ATOM 949 CB VAL A 451 -4.442 -5.945 4.498 1.00 0.00 C ATOM 950 CG1 VAL A 451 -4.903 -7.333 4.066 1.00 0.00 C ATOM 951 CG2 VAL A 451 -4.708 -5.718 5.985 1.00 0.00 C ATOM 0 H VAL A 451 -2.968 -3.619 4.359 1.00 0.00 H new ATOM 0 HA VAL A 451 -2.335 -6.507 4.553 1.00 0.00 H new ATOM 0 HB VAL A 451 -5.027 -5.208 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 451 -5.950 -7.469 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 451 -4.790 -7.434 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 451 -4.299 -8.089 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 451 -5.763 -5.894 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 451 -4.100 -6.406 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 451 -4.452 -4.692 6.248 1.00 0.00 H new ATOM 961 N VAL A 452 -2.118 -6.641 2.021 1.00 0.00 N ATOM 962 CA VAL A 452 -1.995 -6.735 0.567 1.00 0.00 C ATOM 963 C VAL A 452 -2.369 -8.165 0.143 1.00 0.00 C ATOM 964 O VAL A 452 -1.949 -9.127 0.792 1.00 0.00 O ATOM 965 CB VAL A 452 -0.542 -6.373 0.024 1.00 0.00 C ATOM 966 CG1 VAL A 452 0.008 -5.089 0.622 1.00 0.00 C ATOM 967 CG2 VAL A 452 0.454 -7.501 0.186 1.00 0.00 C ATOM 0 H VAL A 452 -1.616 -7.367 2.532 1.00 0.00 H new ATOM 0 HA VAL A 452 -2.670 -5.998 0.131 1.00 0.00 H new ATOM 0 HB VAL A 452 -0.679 -6.211 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 452 1.000 -4.894 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -0.655 -4.260 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 452 0.074 -5.191 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 452 1.423 -7.189 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 452 0.551 -7.752 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 452 0.106 -8.375 -0.364 1.00 0.00 H new ATOM 977 N GLY A 453 -3.169 -8.303 -0.904 1.00 0.00 N ATOM 978 CA GLY A 453 -3.575 -9.624 -1.385 1.00 0.00 C ATOM 979 C GLY A 453 -4.227 -10.509 -0.317 1.00 0.00 C ATOM 980 O GLY A 453 -5.429 -10.373 -0.014 1.00 0.00 O ATOM 0 H GLY A 453 -3.551 -7.522 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -4.273 -9.498 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -2.700 -10.138 -1.782 1.00 0.00 H new ATOM 984 N THR A 454 -3.444 -11.428 0.227 1.00 0.00 N ATOM 985 CA THR A 454 -3.900 -12.327 1.264 1.00 0.00 C ATOM 986 C THR A 454 -3.042 -12.197 2.529 1.00 0.00 C ATOM 987 O THR A 454 -3.242 -12.930 3.495 1.00 0.00 O ATOM 988 CB THR A 454 -3.818 -13.794 0.778 1.00 0.00 C ATOM 989 OG1 THR A 454 -2.481 -14.084 0.323 1.00 0.00 O ATOM 990 CG2 THR A 454 -4.795 -14.061 -0.350 1.00 0.00 C ATOM 0 H THR A 454 -2.470 -11.568 -0.043 1.00 0.00 H new ATOM 0 HA THR A 454 -4.931 -12.058 1.494 1.00 0.00 H new ATOM 0 HB THR A 454 -4.077 -14.437 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 454 -2.434 -15.014 0.018 1.00 0.00 H new ATOM 0 HG21 THR A 454 -4.710 -15.101 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 454 -5.811 -13.869 -0.005 1.00 0.00 H new ATOM 0 HG23 THR A 454 -4.567 -13.406 -1.191 1.00 0.00 H new ATOM 998 N THR A 455 -2.117 -11.267 2.534 1.00 0.00 N ATOM 999 CA THR A 455 -1.172 -11.167 3.620 1.00 0.00 C ATOM 1000 C THR A 455 -1.174 -9.762 4.237 1.00 0.00 C ATOM 1001 O THR A 455 -1.373 -8.774 3.545 1.00 0.00 O ATOM 1002 CB THR A 455 0.258 -11.499 3.108 1.00 0.00 C ATOM 1003 OG1 THR A 455 0.269 -12.792 2.462 1.00 0.00 O ATOM 1004 CG2 THR A 455 1.249 -11.502 4.260 1.00 0.00 C ATOM 0 H THR A 455 -1.999 -10.570 1.799 1.00 0.00 H new ATOM 0 HA THR A 455 -1.470 -11.881 4.388 1.00 0.00 H new ATOM 0 HB THR A 455 0.550 -10.733 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.076 -12.876 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.245 -11.736 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 455 1.262 -10.519 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 455 0.953 -12.253 4.993 1.00 0.00 H new ATOM 1012 N TYR A 456 -0.965 -9.678 5.527 1.00 0.00 N ATOM 1013 CA TYR A 456 -0.833 -8.404 6.162 1.00 0.00 C ATOM 1014 C TYR A 456 0.511 -8.337 6.858 1.00 0.00 C ATOM 1015 O TYR A 456 1.012 -9.356 7.355 1.00 0.00 O ATOM 1016 CB TYR A 456 -2.019 -8.076 7.104 1.00 0.00 C ATOM 1017 CG TYR A 456 -2.215 -8.989 8.291 1.00 0.00 C ATOM 1018 CD1 TYR A 456 -2.981 -10.140 8.187 1.00 0.00 C ATOM 1019 CD2 TYR A 456 -1.652 -8.686 9.521 1.00 0.00 C ATOM 1020 CE1 TYR A 456 -3.174 -10.964 9.272 1.00 0.00 C ATOM 1021 CE2 TYR A 456 -1.842 -9.504 10.612 1.00 0.00 C ATOM 1022 CZ TYR A 456 -2.602 -10.642 10.481 1.00 0.00 C ATOM 1023 OH TYR A 456 -2.795 -11.466 11.570 1.00 0.00 O ATOM 0 H TYR A 456 -0.884 -10.480 6.152 1.00 0.00 H new ATOM 0 HA TYR A 456 -0.869 -7.626 5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 456 -1.888 -7.059 7.475 1.00 0.00 H new ATOM 0 HB3 TYR A 456 -2.935 -8.084 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 456 -3.433 -10.394 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 456 -1.054 -7.793 9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 456 -3.771 -11.859 9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 456 -1.397 -9.253 11.564 1.00 0.00 H new ATOM 0 HH TYR A 456 -2.324 -11.098 12.346 1.00 0.00 H new ATOM 1033 N GLY A 457 1.104 -7.185 6.854 1.00 0.00 N ATOM 1034 CA GLY A 457 2.407 -7.004 7.430 1.00 0.00 C ATOM 1035 C GLY A 457 2.554 -5.615 7.955 1.00 0.00 C ATOM 1036 O GLY A 457 1.608 -4.836 7.900 1.00 0.00 O ATOM 0 H GLY A 457 0.701 -6.339 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 457 2.559 -7.722 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 457 3.174 -7.199 6.680 1.00 0.00 H new ATOM 1040 N ARG A 458 3.710 -5.277 8.425 1.00 0.00 N ATOM 1041 CA ARG A 458 3.914 -3.975 8.998 1.00 0.00 C ATOM 1042 C ARG A 458 5.069 -3.296 8.296 1.00 0.00 C ATOM 1043 O ARG A 458 6.162 -3.855 8.203 1.00 0.00 O ATOM 1044 CB ARG A 458 4.165 -4.098 10.498 1.00 0.00 C ATOM 1045 CG ARG A 458 4.178 -2.786 11.244 1.00 0.00 C ATOM 1046 CD ARG A 458 4.413 -3.009 12.731 1.00 0.00 C ATOM 1047 NE ARG A 458 4.317 -1.757 13.488 1.00 0.00 N ATOM 1048 CZ ARG A 458 4.993 -1.463 14.607 1.00 0.00 C ATOM 1049 NH1 ARG A 458 5.801 -2.359 15.168 1.00 0.00 N ATOM 1050 NH2 ARG A 458 4.840 -0.271 15.172 1.00 0.00 N ATOM 0 H ARG A 458 4.532 -5.881 8.426 1.00 0.00 H new ATOM 0 HA ARG A 458 3.021 -3.364 8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 458 3.396 -4.739 10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 458 5.121 -4.598 10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 458 4.959 -2.142 10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 458 3.230 -2.269 11.095 1.00 0.00 H new ATOM 0 HD2 ARG A 458 3.682 -3.722 13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 458 5.398 -3.451 12.882 1.00 0.00 H new ATOM 0 HE ARG A 458 3.679 -1.046 13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 458 5.911 -3.281 14.746 1.00 0.00 H new ATOM 0 HH12 ARG A 458 6.310 -2.124 16.020 1.00 0.00 H new ATOM 0 HH21 ARG A 458 4.211 0.414 14.754 1.00 0.00 H new ATOM 0 HH22 ARG A 458 5.352 -0.041 16.024 1.00 0.00 H new ATOM 1064 N VAL A 459 4.817 -2.104 7.821 1.00 0.00 N ATOM 1065 CA VAL A 459 5.770 -1.348 7.018 1.00 0.00 C ATOM 1066 C VAL A 459 7.040 -1.001 7.810 1.00 0.00 C ATOM 1067 O VAL A 459 6.959 -0.545 8.954 1.00 0.00 O ATOM 1068 CB VAL A 459 5.114 -0.056 6.497 1.00 0.00 C ATOM 1069 CG1 VAL A 459 6.057 0.722 5.601 1.00 0.00 C ATOM 1070 CG2 VAL A 459 3.838 -0.376 5.757 1.00 0.00 C ATOM 0 H VAL A 459 3.935 -1.616 7.978 1.00 0.00 H new ATOM 0 HA VAL A 459 6.062 -1.978 6.178 1.00 0.00 H new ATOM 0 HB VAL A 459 4.879 0.568 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 459 5.562 1.628 5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 459 6.952 0.991 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 459 6.336 0.107 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 459 3.386 0.547 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 459 4.061 -1.027 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 459 3.144 -0.880 6.430 1.00 0.00 H new ATOM 1080 N ARG A 460 8.192 -1.232 7.211 1.00 0.00 N ATOM 1081 CA ARG A 460 9.466 -0.938 7.845 1.00 0.00 C ATOM 1082 C ARG A 460 9.977 0.433 7.344 1.00 0.00 C ATOM 1083 O ARG A 460 10.168 1.361 8.134 1.00 0.00 O ATOM 1084 CB ARG A 460 10.474 -2.070 7.512 1.00 0.00 C ATOM 1085 CG ARG A 460 11.670 -2.241 8.474 1.00 0.00 C ATOM 1086 CD ARG A 460 12.638 -1.063 8.502 1.00 0.00 C ATOM 1087 NE ARG A 460 13.765 -1.321 9.411 1.00 0.00 N ATOM 1088 CZ ARG A 460 14.716 -0.435 9.766 1.00 0.00 C ATOM 1089 NH1 ARG A 460 14.667 0.823 9.339 1.00 0.00 N ATOM 1090 NH2 ARG A 460 15.695 -0.799 10.588 1.00 0.00 N ATOM 0 H ARG A 460 8.273 -1.627 6.274 1.00 0.00 H new ATOM 0 HA ARG A 460 9.351 -0.888 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 460 9.928 -3.013 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 460 10.866 -1.892 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 460 11.288 -2.404 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 460 12.220 -3.139 8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 460 13.014 -0.874 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 460 12.111 -0.163 8.819 1.00 0.00 H new ATOM 0 HE ARG A 460 13.833 -2.257 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 460 13.903 1.127 8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 460 15.393 1.484 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 460 15.728 -1.751 10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 460 16.414 -0.126 10.855 1.00 0.00 H new ATOM 1104 N ALA A 461 10.169 0.550 6.048 1.00 0.00 N ATOM 1105 CA ALA A 461 10.662 1.770 5.424 1.00 0.00 C ATOM 1106 C ALA A 461 9.671 2.239 4.392 1.00 0.00 C ATOM 1107 O ALA A 461 8.748 1.508 4.037 1.00 0.00 O ATOM 1108 CB ALA A 461 12.026 1.520 4.788 1.00 0.00 C ATOM 0 H ALA A 461 9.987 -0.204 5.386 1.00 0.00 H new ATOM 0 HA ALA A 461 10.777 2.546 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 461 12.385 2.439 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 461 12.732 1.200 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 461 11.937 0.742 4.030 1.00 0.00 H new ATOM 1114 N MET A 462 9.852 3.446 3.925 1.00 0.00 N ATOM 1115 CA MET A 462 8.948 4.030 2.970 1.00 0.00 C ATOM 1116 C MET A 462 9.750 4.850 2.017 1.00 0.00 C ATOM 1117 O MET A 462 10.401 5.817 2.429 1.00 0.00 O ATOM 1118 CB MET A 462 7.972 4.975 3.668 1.00 0.00 C ATOM 1119 CG MET A 462 6.796 5.421 2.807 1.00 0.00 C ATOM 1120 SD MET A 462 5.545 4.161 2.657 1.00 0.00 S ATOM 1121 CE MET A 462 5.040 4.086 4.363 1.00 0.00 C ATOM 0 H MET A 462 10.628 4.051 4.195 1.00 0.00 H new ATOM 0 HA MET A 462 8.398 3.234 2.467 1.00 0.00 H new ATOM 0 HB2 MET A 462 7.586 4.483 4.561 1.00 0.00 H new ATOM 0 HB3 MET A 462 8.517 5.858 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 462 6.353 6.319 3.239 1.00 0.00 H new ATOM 0 HG3 MET A 462 7.158 5.690 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 462 4.129 3.494 4.447 1.00 0.00 H new ATOM 0 HE2 MET A 462 5.829 3.624 4.956 1.00 0.00 H new ATOM 0 HE3 MET A 462 4.853 5.095 4.732 1.00 0.00 H new ATOM 1131 N VAL A 463 9.741 4.492 0.797 1.00 0.00 N ATOM 1132 CA VAL A 463 10.394 5.269 -0.205 1.00 0.00 C ATOM 1133 C VAL A 463 9.370 5.609 -1.250 1.00 0.00 C ATOM 1134 O VAL A 463 8.593 4.757 -1.657 1.00 0.00 O ATOM 1135 CB VAL A 463 11.643 4.548 -0.797 1.00 0.00 C ATOM 1136 CG1 VAL A 463 11.303 3.187 -1.372 1.00 0.00 C ATOM 1137 CG2 VAL A 463 12.346 5.408 -1.832 1.00 0.00 C ATOM 0 H VAL A 463 9.282 3.650 0.450 1.00 0.00 H new ATOM 0 HA VAL A 463 10.791 6.185 0.232 1.00 0.00 H new ATOM 0 HB VAL A 463 12.329 4.388 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 463 12.206 2.725 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 463 10.888 2.554 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 463 10.570 3.302 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 463 13.212 4.873 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 463 11.658 5.630 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 463 12.673 6.339 -1.370 1.00 0.00 H new ATOM 1147 N ASN A 464 9.312 6.843 -1.628 1.00 0.00 N ATOM 1148 CA ASN A 464 8.286 7.263 -2.561 1.00 0.00 C ATOM 1149 C ASN A 464 8.850 7.325 -3.951 1.00 0.00 C ATOM 1150 O ASN A 464 10.034 7.069 -4.143 1.00 0.00 O ATOM 1151 CB ASN A 464 7.659 8.605 -2.152 1.00 0.00 C ATOM 1152 CG ASN A 464 8.500 9.812 -2.471 1.00 0.00 C ATOM 1153 OD1 ASN A 464 8.362 10.408 -3.534 1.00 0.00 O ATOM 1154 ND2 ASN A 464 9.372 10.176 -1.583 1.00 0.00 N ATOM 0 H ASN A 464 9.947 7.579 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 464 7.486 6.523 -2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 464 6.695 8.708 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 464 7.463 8.588 -1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 464 9.971 10.983 -1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 464 9.458 9.656 -0.710 1.00 0.00 H new ATOM 1161 N ASP A 465 8.013 7.701 -4.897 1.00 0.00 N ATOM 1162 CA ASP A 465 8.358 7.763 -6.325 1.00 0.00 C ATOM 1163 C ASP A 465 9.587 8.638 -6.595 1.00 0.00 C ATOM 1164 O ASP A 465 10.357 8.372 -7.513 1.00 0.00 O ATOM 1165 CB ASP A 465 7.168 8.280 -7.130 1.00 0.00 C ATOM 1166 CG ASP A 465 7.373 8.154 -8.624 1.00 0.00 C ATOM 1167 OD1 ASP A 465 7.134 7.064 -9.168 1.00 0.00 O ATOM 1168 OD2 ASP A 465 7.751 9.141 -9.282 1.00 0.00 O ATOM 0 H ASP A 465 7.051 7.980 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 465 8.606 6.749 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 465 6.273 7.728 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 465 6.992 9.326 -6.879 1.00 0.00 H new ATOM 1173 N SER A 466 9.798 9.645 -5.771 1.00 0.00 N ATOM 1174 CA SER A 466 10.925 10.531 -5.938 1.00 0.00 C ATOM 1175 C SER A 466 12.217 9.915 -5.362 1.00 0.00 C ATOM 1176 O SER A 466 13.310 10.424 -5.597 1.00 0.00 O ATOM 1177 CB SER A 466 10.624 11.883 -5.297 1.00 0.00 C ATOM 1178 OG SER A 466 9.426 12.435 -5.833 1.00 0.00 O ATOM 0 H SER A 466 9.199 9.868 -4.976 1.00 0.00 H new ATOM 0 HA SER A 466 11.090 10.680 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 466 10.526 11.766 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 466 11.455 12.567 -5.470 1.00 0.00 H new ATOM 0 HG SER A 466 9.247 13.301 -5.410 1.00 0.00 H new ATOM 1184 N GLY A 467 12.092 8.850 -4.587 1.00 0.00 N ATOM 1185 CA GLY A 467 13.279 8.154 -4.104 1.00 0.00 C ATOM 1186 C GLY A 467 13.698 8.584 -2.728 1.00 0.00 C ATOM 1187 O GLY A 467 14.761 8.191 -2.224 1.00 0.00 O ATOM 0 H GLY A 467 11.203 8.453 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 467 13.086 7.081 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 467 14.101 8.327 -4.798 1.00 0.00 H new ATOM 1191 N ARG A 468 12.872 9.374 -2.112 1.00 0.00 N ATOM 1192 CA ARG A 468 13.147 9.855 -0.791 1.00 0.00 C ATOM 1193 C ARG A 468 12.552 8.940 0.229 1.00 0.00 C ATOM 1194 O ARG A 468 11.428 8.424 0.041 1.00 0.00 O ATOM 1195 CB ARG A 468 12.602 11.267 -0.568 1.00 0.00 C ATOM 1196 CG ARG A 468 13.442 12.415 -1.123 1.00 0.00 C ATOM 1197 CD ARG A 468 13.554 12.400 -2.631 1.00 0.00 C ATOM 1198 NE ARG A 468 14.281 13.565 -3.114 1.00 0.00 N ATOM 1199 CZ ARG A 468 14.660 13.783 -4.373 1.00 0.00 C ATOM 1200 NH1 ARG A 468 14.471 12.868 -5.313 1.00 0.00 N ATOM 1201 NH2 ARG A 468 15.260 14.913 -4.677 1.00 0.00 N ATOM 0 H ARG A 468 11.992 9.703 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 468 14.231 9.884 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 468 11.609 11.324 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 468 12.480 11.421 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 468 13.004 13.362 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 468 14.442 12.367 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 468 14.063 11.491 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 468 12.558 12.380 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 468 14.522 14.279 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 468 14.029 11.979 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 468 14.768 13.053 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 468 15.431 15.611 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 468 15.555 15.092 -5.637 1.00 0.00 H new ATOM 1215 N ARG A 469 13.299 8.709 1.269 1.00 0.00 N ATOM 1216 CA ARG A 469 12.833 7.981 2.399 1.00 0.00 C ATOM 1217 C ARG A 469 11.893 8.878 3.172 1.00 0.00 C ATOM 1218 O ARG A 469 12.216 10.032 3.438 1.00 0.00 O ATOM 1219 CB ARG A 469 14.005 7.551 3.298 1.00 0.00 C ATOM 1220 CG ARG A 469 13.567 7.021 4.655 1.00 0.00 C ATOM 1221 CD ARG A 469 12.730 5.766 4.522 1.00 0.00 C ATOM 1222 NE ARG A 469 11.854 5.579 5.679 1.00 0.00 N ATOM 1223 CZ ARG A 469 12.112 4.810 6.732 1.00 0.00 C ATOM 1224 NH1 ARG A 469 13.289 4.220 6.859 1.00 0.00 N ATOM 1225 NH2 ARG A 469 11.190 4.659 7.671 1.00 0.00 N ATOM 0 H ARG A 469 14.264 9.029 1.351 1.00 0.00 H new ATOM 0 HA ARG A 469 12.321 7.077 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 469 14.582 6.781 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 469 14.670 8.402 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 469 14.446 6.810 5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 469 12.994 7.787 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 469 12.129 5.823 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 469 13.384 4.901 4.416 1.00 0.00 H new ATOM 0 HE ARG A 469 10.967 6.083 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 469 14.006 4.354 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 469 13.480 3.631 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 469 10.290 5.131 7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 469 11.380 4.071 8.482 1.00 0.00 H new ATOM 1239 N VAL A 470 10.750 8.367 3.514 1.00 0.00 N ATOM 1240 CA VAL A 470 9.782 9.143 4.239 1.00 0.00 C ATOM 1241 C VAL A 470 9.199 8.322 5.367 1.00 0.00 C ATOM 1242 O VAL A 470 9.530 7.127 5.515 1.00 0.00 O ATOM 1243 CB VAL A 470 8.652 9.729 3.323 1.00 0.00 C ATOM 1244 CG1 VAL A 470 9.194 10.815 2.407 1.00 0.00 C ATOM 1245 CG2 VAL A 470 8.001 8.642 2.490 1.00 0.00 C ATOM 0 H VAL A 470 10.461 7.412 3.303 1.00 0.00 H new ATOM 0 HA VAL A 470 10.307 10.003 4.655 1.00 0.00 H new ATOM 0 HB VAL A 470 7.901 10.165 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 470 8.387 11.202 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 470 9.609 11.624 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 470 9.975 10.398 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 470 7.222 9.079 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 470 8.752 8.170 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 470 7.560 7.894 3.149 1.00 0.00 H new ATOM 1255 N LYS A 471 8.390 8.942 6.171 1.00 0.00 N ATOM 1256 CA LYS A 471 7.751 8.280 7.283 1.00 0.00 C ATOM 1257 C LYS A 471 6.319 7.955 6.937 1.00 0.00 C ATOM 1258 O LYS A 471 5.799 6.896 7.303 1.00 0.00 O ATOM 1259 CB LYS A 471 7.754 9.185 8.527 1.00 0.00 C ATOM 1260 CG LYS A 471 9.135 9.574 9.063 1.00 0.00 C ATOM 1261 CD LYS A 471 9.952 8.366 9.519 1.00 0.00 C ATOM 1262 CE LYS A 471 9.225 7.538 10.578 1.00 0.00 C ATOM 1263 NZ LYS A 471 8.885 8.302 11.789 1.00 0.00 N ATOM 0 H LYS A 471 8.149 9.929 6.079 1.00 0.00 H new ATOM 0 HA LYS A 471 8.306 7.366 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 471 7.206 10.097 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 471 7.205 8.680 9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 471 9.684 10.107 8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 471 9.015 10.263 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 471 10.175 7.735 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 471 10.907 8.707 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 471 8.311 7.132 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 471 9.850 6.690 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 8.425 7.673 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 9.752 8.697 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 8.237 9.076 11.540 1.00 0.00 H new ATOM 1277 N GLU A 472 5.712 8.845 6.200 1.00 0.00 N ATOM 1278 CA GLU A 472 4.309 8.781 5.911 1.00 0.00 C ATOM 1279 C GLU A 472 4.094 9.104 4.432 1.00 0.00 C ATOM 1280 O GLU A 472 4.915 9.807 3.813 1.00 0.00 O ATOM 1281 CB GLU A 472 3.608 9.814 6.800 1.00 0.00 C ATOM 1282 CG GLU A 472 2.091 9.801 6.784 1.00 0.00 C ATOM 1283 CD GLU A 472 1.518 10.988 7.524 1.00 0.00 C ATOM 1284 OE1 GLU A 472 1.825 11.173 8.715 1.00 0.00 O ATOM 1285 OE2 GLU A 472 0.785 11.795 6.903 1.00 0.00 O ATOM 0 H GLU A 472 6.186 9.644 5.779 1.00 0.00 H new ATOM 0 HA GLU A 472 3.903 7.789 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 472 3.940 9.662 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 472 3.944 10.807 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 472 1.737 9.808 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 472 1.729 8.879 7.239 1.00 0.00 H new ATOM 1292 N ALA A 473 3.046 8.570 3.873 1.00 0.00 N ATOM 1293 CA ALA A 473 2.704 8.778 2.501 1.00 0.00 C ATOM 1294 C ALA A 473 1.214 9.000 2.378 1.00 0.00 C ATOM 1295 O ALA A 473 0.416 8.293 3.020 1.00 0.00 O ATOM 1296 CB ALA A 473 3.119 7.579 1.683 1.00 0.00 C ATOM 0 H ALA A 473 2.393 7.965 4.372 1.00 0.00 H new ATOM 0 HA ALA A 473 3.227 9.658 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 473 2.856 7.743 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 473 4.196 7.436 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 473 2.605 6.691 2.052 1.00 0.00 H new ATOM 1302 N GLY A 474 0.841 9.952 1.567 1.00 0.00 N ATOM 1303 CA GLY A 474 -0.546 10.266 1.386 1.00 0.00 C ATOM 1304 C GLY A 474 -1.120 9.516 0.209 1.00 0.00 C ATOM 1305 O GLY A 474 -0.363 8.911 -0.561 1.00 0.00 O ATOM 0 H GLY A 474 1.483 10.525 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -1.101 10.013 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -0.663 11.339 1.231 1.00 0.00 H new ATOM 1309 N PRO A 475 -2.445 9.524 0.036 1.00 0.00 N ATOM 1310 CA PRO A 475 -3.089 8.824 -1.059 1.00 0.00 C ATOM 1311 C PRO A 475 -2.770 9.445 -2.409 1.00 0.00 C ATOM 1312 O PRO A 475 -2.485 10.650 -2.506 1.00 0.00 O ATOM 1313 CB PRO A 475 -4.577 8.917 -0.745 1.00 0.00 C ATOM 1314 CG PRO A 475 -4.710 10.114 0.129 1.00 0.00 C ATOM 1315 CD PRO A 475 -3.418 10.228 0.892 1.00 0.00 C ATOM 0 HA PRO A 475 -2.740 7.794 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 475 -5.167 9.025 -1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 475 -4.931 8.018 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 475 -4.891 11.010 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -5.555 10.006 0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -3.135 11.269 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -3.492 9.767 1.877 1.00 0.00 H new ATOM 1323 N SER A 476 -2.805 8.595 -3.429 1.00 0.00 N ATOM 1324 CA SER A 476 -2.496 8.929 -4.802 1.00 0.00 C ATOM 1325 C SER A 476 -0.977 9.074 -4.996 1.00 0.00 C ATOM 1326 O SER A 476 -0.511 9.594 -6.019 1.00 0.00 O ATOM 1327 CB SER A 476 -3.287 10.171 -5.297 1.00 0.00 C ATOM 1328 OG SER A 476 -3.055 10.425 -6.683 1.00 0.00 O ATOM 0 H SER A 476 -3.061 7.615 -3.310 1.00 0.00 H new ATOM 0 HA SER A 476 -2.826 8.102 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 476 -4.353 10.015 -5.129 1.00 0.00 H new ATOM 0 HB3 SER A 476 -2.997 11.044 -4.713 1.00 0.00 H new ATOM 0 HG SER A 476 -2.124 10.211 -6.903 1.00 0.00 H new ATOM 1334 N MET A 477 -0.214 8.578 -4.042 1.00 0.00 N ATOM 1335 CA MET A 477 1.221 8.607 -4.140 1.00 0.00 C ATOM 1336 C MET A 477 1.791 7.197 -4.259 1.00 0.00 C ATOM 1337 O MET A 477 1.333 6.279 -3.561 1.00 0.00 O ATOM 1338 CB MET A 477 1.859 9.326 -2.946 1.00 0.00 C ATOM 1339 CG MET A 477 3.380 9.243 -2.957 1.00 0.00 C ATOM 1340 SD MET A 477 4.188 10.169 -1.625 1.00 0.00 S ATOM 1341 CE MET A 477 3.667 11.842 -2.001 1.00 0.00 C ATOM 0 H MET A 477 -0.572 8.149 -3.188 1.00 0.00 H new ATOM 0 HA MET A 477 1.465 9.166 -5.044 1.00 0.00 H new ATOM 0 HB2 MET A 477 1.556 10.373 -2.953 1.00 0.00 H new ATOM 0 HB3 MET A 477 1.482 8.891 -2.021 1.00 0.00 H new ATOM 0 HG2 MET A 477 3.675 8.196 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.745 9.614 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 477 4.318 12.550 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 477 3.726 12.008 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 477 2.639 11.987 -1.668 1.00 0.00 H new ATOM 1351 N PRO A 478 2.751 6.984 -5.185 1.00 0.00 N ATOM 1352 CA PRO A 478 3.458 5.723 -5.295 1.00 0.00 C ATOM 1353 C PRO A 478 4.551 5.632 -4.237 1.00 0.00 C ATOM 1354 O PRO A 478 5.406 6.532 -4.127 1.00 0.00 O ATOM 1355 CB PRO A 478 4.112 5.774 -6.686 1.00 0.00 C ATOM 1356 CG PRO A 478 3.607 7.024 -7.332 1.00 0.00 C ATOM 1357 CD PRO A 478 3.189 7.928 -6.224 1.00 0.00 C ATOM 0 HA PRO A 478 2.795 4.869 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 478 5.199 5.788 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 478 3.847 4.896 -7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 478 4.383 7.488 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 478 2.769 6.808 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 478 4.012 8.555 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 478 2.384 8.597 -6.529 1.00 0.00 H new ATOM 1365 N VAL A 479 4.524 4.575 -3.475 1.00 0.00 N ATOM 1366 CA VAL A 479 5.507 4.320 -2.442 1.00 0.00 C ATOM 1367 C VAL A 479 5.836 2.856 -2.394 1.00 0.00 C ATOM 1368 O VAL A 479 4.995 2.016 -2.703 1.00 0.00 O ATOM 1369 CB VAL A 479 5.065 4.804 -1.019 1.00 0.00 C ATOM 1370 CG1 VAL A 479 5.103 6.309 -0.915 1.00 0.00 C ATOM 1371 CG2 VAL A 479 3.670 4.305 -0.678 1.00 0.00 C ATOM 0 H VAL A 479 3.810 3.851 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 479 6.388 4.902 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 479 5.774 4.386 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 479 4.791 6.613 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 479 6.118 6.661 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 479 4.428 6.742 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 479 3.390 4.657 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 479 2.958 4.685 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 479 3.660 3.215 -0.693 1.00 0.00 H new ATOM 1381 N GLU A 480 7.052 2.557 -2.074 1.00 0.00 N ATOM 1382 CA GLU A 480 7.482 1.206 -1.936 1.00 0.00 C ATOM 1383 C GLU A 480 7.640 0.893 -0.466 1.00 0.00 C ATOM 1384 O GLU A 480 8.438 1.535 0.250 1.00 0.00 O ATOM 1385 CB GLU A 480 8.772 0.951 -2.728 1.00 0.00 C ATOM 1386 CG GLU A 480 9.248 -0.490 -2.703 1.00 0.00 C ATOM 1387 CD GLU A 480 10.444 -0.732 -3.594 1.00 0.00 C ATOM 1388 OE1 GLU A 480 11.581 -0.403 -3.192 1.00 0.00 O ATOM 1389 OE2 GLU A 480 10.270 -1.294 -4.698 1.00 0.00 O ATOM 0 H GLU A 480 7.780 3.250 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 480 6.732 0.535 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 480 8.613 1.251 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 480 9.561 1.589 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 480 9.503 -0.765 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 480 8.432 -1.142 -3.015 1.00 0.00 H new ATOM 1396 N ILE A 481 6.869 -0.060 -0.017 1.00 0.00 N ATOM 1397 CA ILE A 481 6.861 -0.459 1.366 1.00 0.00 C ATOM 1398 C ILE A 481 7.736 -1.679 1.553 1.00 0.00 C ATOM 1399 O ILE A 481 8.187 -2.295 0.572 1.00 0.00 O ATOM 1400 CB ILE A 481 5.436 -0.812 1.859 1.00 0.00 C ATOM 1401 CG1 ILE A 481 4.865 -2.003 1.070 1.00 0.00 C ATOM 1402 CG2 ILE A 481 4.528 0.401 1.735 1.00 0.00 C ATOM 1403 CD1 ILE A 481 3.570 -2.537 1.629 1.00 0.00 C ATOM 0 H ILE A 481 6.223 -0.586 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 481 7.236 0.385 1.945 1.00 0.00 H new ATOM 0 HB ILE A 481 5.491 -1.101 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 481 4.706 -1.699 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 481 5.603 -2.805 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 481 3.528 0.144 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 481 4.925 1.216 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.479 0.714 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 481 3.229 -3.375 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 481 3.727 -2.873 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.816 -1.750 1.617 1.00 0.00 H new ATOM 1415 N THR A 482 7.936 -2.034 2.786 1.00 0.00 N ATOM 1416 CA THR A 482 8.754 -3.148 3.178 1.00 0.00 C ATOM 1417 C THR A 482 8.197 -3.743 4.450 1.00 0.00 C ATOM 1418 O THR A 482 7.356 -3.117 5.101 1.00 0.00 O ATOM 1419 CB THR A 482 10.191 -2.669 3.435 1.00 0.00 C ATOM 1420 OG1 THR A 482 10.166 -1.336 3.990 1.00 0.00 O ATOM 1421 CG2 THR A 482 11.023 -2.701 2.175 1.00 0.00 C ATOM 0 H THR A 482 7.521 -1.541 3.576 1.00 0.00 H new ATOM 0 HA THR A 482 8.757 -3.895 2.384 1.00 0.00 H new ATOM 0 HB THR A 482 10.655 -3.351 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 482 10.356 -0.684 3.283 1.00 0.00 H new ATOM 0 HG21 THR A 482 12.033 -2.355 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 482 11.064 -3.721 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 482 10.573 -2.050 1.425 1.00 0.00 H new ATOM 1429 N GLY A 483 8.643 -4.928 4.798 1.00 0.00 N ATOM 1430 CA GLY A 483 8.230 -5.539 6.041 1.00 0.00 C ATOM 1431 C GLY A 483 6.952 -6.344 5.941 1.00 0.00 C ATOM 1432 O GLY A 483 6.270 -6.562 6.949 1.00 0.00 O ATOM 0 H GLY A 483 9.289 -5.487 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 483 9.029 -6.189 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 483 8.097 -4.759 6.790 1.00 0.00 H new ATOM 1436 N LEU A 484 6.612 -6.795 4.743 1.00 0.00 N ATOM 1437 CA LEU A 484 5.425 -7.619 4.586 1.00 0.00 C ATOM 1438 C LEU A 484 5.676 -9.017 5.152 1.00 0.00 C ATOM 1439 O LEU A 484 4.748 -9.701 5.584 1.00 0.00 O ATOM 1440 CB LEU A 484 5.001 -7.725 3.122 1.00 0.00 C ATOM 1441 CG LEU A 484 3.724 -8.539 2.872 1.00 0.00 C ATOM 1442 CD1 LEU A 484 2.498 -7.851 3.463 1.00 0.00 C ATOM 1443 CD2 LEU A 484 3.537 -8.816 1.405 1.00 0.00 C ATOM 0 H LEU A 484 7.128 -6.610 3.883 1.00 0.00 H new ATOM 0 HA LEU A 484 4.616 -7.140 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 484 4.855 -6.719 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 484 5.817 -8.174 2.555 1.00 0.00 H new ATOM 0 HG LEU A 484 3.839 -9.496 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 484 1.612 -8.455 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 484 2.629 -7.736 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 484 2.376 -6.869 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 484 2.625 -9.394 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 484 3.461 -7.873 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 484 4.390 -9.382 1.030 1.00 0.00 H new ATOM 1455 N HIS A 485 6.955 -9.430 5.110 1.00 0.00 N ATOM 1456 CA HIS A 485 7.428 -10.739 5.625 1.00 0.00 C ATOM 1457 C HIS A 485 6.792 -11.902 4.805 1.00 0.00 C ATOM 1458 O HIS A 485 6.783 -13.062 5.214 1.00 0.00 O ATOM 1459 CB HIS A 485 7.099 -10.824 7.146 1.00 0.00 C ATOM 1460 CG HIS A 485 7.669 -11.995 7.897 1.00 0.00 C ATOM 1461 ND1 HIS A 485 6.905 -12.972 8.496 1.00 0.00 N ATOM 1462 CD2 HIS A 485 8.953 -12.296 8.193 1.00 0.00 C ATOM 1463 CE1 HIS A 485 7.722 -13.808 9.126 1.00 0.00 C ATOM 1464 NE2 HIS A 485 8.981 -13.445 8.974 1.00 0.00 N ATOM 0 H HIS A 485 7.703 -8.861 4.714 1.00 0.00 H new ATOM 0 HA HIS A 485 8.508 -10.833 5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 485 7.453 -9.910 7.622 1.00 0.00 H new ATOM 0 HB3 HIS A 485 6.015 -10.843 7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 485 9.818 -11.734 7.874 1.00 0.00 H new ATOM 0 HE1 HIS A 485 7.398 -14.671 9.689 1.00 0.00 H new ATOM 0 HE2 HIS A 485 9.805 -13.912 9.352 1.00 0.00 H new ATOM 1472 N ASP A 486 6.331 -11.560 3.622 1.00 0.00 N ATOM 1473 CA ASP A 486 5.715 -12.479 2.678 1.00 0.00 C ATOM 1474 C ASP A 486 6.047 -11.937 1.314 1.00 0.00 C ATOM 1475 O ASP A 486 6.683 -10.886 1.232 1.00 0.00 O ATOM 1476 CB ASP A 486 4.200 -12.521 2.888 1.00 0.00 C ATOM 1477 CG ASP A 486 3.469 -13.598 2.093 1.00 0.00 C ATOM 1478 OD1 ASP A 486 3.670 -14.796 2.365 1.00 0.00 O ATOM 1479 OD2 ASP A 486 2.699 -13.266 1.170 1.00 0.00 O ATOM 0 H ASP A 486 6.374 -10.602 3.275 1.00 0.00 H new ATOM 0 HA ASP A 486 6.080 -13.498 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 486 3.999 -12.674 3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 486 3.784 -11.549 2.622 1.00 0.00 H new ATOM 1484 N VAL A 487 5.623 -12.582 0.275 1.00 0.00 N ATOM 1485 CA VAL A 487 5.959 -12.151 -1.055 1.00 0.00 C ATOM 1486 C VAL A 487 4.810 -11.339 -1.659 1.00 0.00 C ATOM 1487 O VAL A 487 3.713 -11.864 -1.869 1.00 0.00 O ATOM 1488 CB VAL A 487 6.294 -13.364 -1.953 1.00 0.00 C ATOM 1489 CG1 VAL A 487 6.681 -12.921 -3.359 1.00 0.00 C ATOM 1490 CG2 VAL A 487 7.413 -14.174 -1.318 1.00 0.00 C ATOM 0 H VAL A 487 5.038 -13.417 0.317 1.00 0.00 H new ATOM 0 HA VAL A 487 6.841 -11.514 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 487 5.405 -13.988 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 487 6.911 -13.797 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 487 5.852 -12.375 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 487 7.557 -12.274 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 487 7.648 -15.029 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 487 8.299 -13.548 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 487 7.095 -14.527 -0.337 1.00 0.00 H new ATOM 1500 N PRO A 488 5.029 -10.047 -1.925 1.00 0.00 N ATOM 1501 CA PRO A 488 4.018 -9.205 -2.524 1.00 0.00 C ATOM 1502 C PRO A 488 3.952 -9.416 -4.038 1.00 0.00 C ATOM 1503 O PRO A 488 4.920 -9.880 -4.654 1.00 0.00 O ATOM 1504 CB PRO A 488 4.468 -7.781 -2.191 1.00 0.00 C ATOM 1505 CG PRO A 488 5.921 -7.866 -1.821 1.00 0.00 C ATOM 1506 CD PRO A 488 6.288 -9.321 -1.686 1.00 0.00 C ATOM 0 HA PRO A 488 3.019 -9.426 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 488 4.324 -7.119 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 488 3.882 -7.372 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 488 6.536 -7.388 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 488 6.106 -7.339 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 488 7.053 -9.605 -2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 488 6.689 -9.538 -0.696 1.00 0.00 H new ATOM 1514 N GLN A 489 2.832 -9.087 -4.635 1.00 0.00 N ATOM 1515 CA GLN A 489 2.648 -9.290 -6.016 1.00 0.00 C ATOM 1516 C GLN A 489 2.265 -8.000 -6.695 1.00 0.00 C ATOM 1517 O GLN A 489 1.478 -7.207 -6.175 1.00 0.00 O ATOM 1518 CB GLN A 489 1.589 -10.341 -6.223 1.00 0.00 C ATOM 1519 CG GLN A 489 1.252 -10.614 -7.655 1.00 0.00 C ATOM 1520 CD GLN A 489 0.211 -11.709 -7.839 1.00 0.00 C ATOM 1521 OE1 GLN A 489 -0.741 -11.808 -6.935 1.00 0.00 O flip ATOM 1522 NE2 GLN A 489 0.242 -12.435 -8.833 1.00 0.00 N flip ATOM 0 H GLN A 489 2.032 -8.671 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 489 3.583 -9.632 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 489 1.922 -11.269 -5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 489 0.682 -10.032 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 489 0.886 -9.696 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 489 2.161 -10.896 -8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 489 0.993 -12.333 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 489 -0.484 -13.138 -8.974 1.00 0.00 H new ATOM 1531 N ALA A 490 2.851 -7.799 -7.824 1.00 0.00 N ATOM 1532 CA ALA A 490 2.582 -6.658 -8.668 1.00 0.00 C ATOM 1533 C ALA A 490 1.206 -6.814 -9.282 1.00 0.00 C ATOM 1534 O ALA A 490 0.815 -7.930 -9.637 1.00 0.00 O ATOM 1535 CB ALA A 490 3.631 -6.568 -9.763 1.00 0.00 C ATOM 0 H ALA A 490 3.552 -8.434 -8.207 1.00 0.00 H new ATOM 0 HA ALA A 490 2.617 -5.745 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 490 3.423 -5.706 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 490 4.618 -6.458 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 490 3.606 -7.476 -10.366 1.00 0.00 H new ATOM 1541 N GLY A 491 0.460 -5.733 -9.365 1.00 0.00 N ATOM 1542 CA GLY A 491 -0.856 -5.795 -9.964 1.00 0.00 C ATOM 1543 C GLY A 491 -1.899 -6.311 -9.013 1.00 0.00 C ATOM 1544 O GLY A 491 -3.054 -6.502 -9.391 1.00 0.00 O ATOM 0 H GLY A 491 0.738 -4.811 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -1.142 -4.801 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -0.821 -6.438 -10.843 1.00 0.00 H new ATOM 1548 N ASP A 492 -1.493 -6.612 -7.796 1.00 0.00 N ATOM 1549 CA ASP A 492 -2.433 -7.058 -6.804 1.00 0.00 C ATOM 1550 C ASP A 492 -3.029 -5.824 -6.171 1.00 0.00 C ATOM 1551 O ASP A 492 -2.745 -4.693 -6.599 1.00 0.00 O ATOM 1552 CB ASP A 492 -1.770 -7.888 -5.716 1.00 0.00 C ATOM 1553 CG ASP A 492 -2.702 -8.941 -5.146 1.00 0.00 C ATOM 1554 OD1 ASP A 492 -3.641 -8.589 -4.419 1.00 0.00 O ATOM 1555 OD2 ASP A 492 -2.527 -10.131 -5.455 1.00 0.00 O ATOM 0 H ASP A 492 -0.526 -6.555 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 492 -3.183 -7.686 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 492 -0.883 -8.373 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 492 -1.435 -7.230 -4.914 1.00 0.00 H new ATOM 1560 N ARG A 493 -3.758 -6.002 -5.138 1.00 0.00 N ATOM 1561 CA ARG A 493 -4.444 -4.936 -4.539 1.00 0.00 C ATOM 1562 C ARG A 493 -4.333 -5.031 -3.053 1.00 0.00 C ATOM 1563 O ARG A 493 -4.228 -6.129 -2.488 1.00 0.00 O ATOM 1564 CB ARG A 493 -5.899 -4.869 -5.025 1.00 0.00 C ATOM 1565 CG ARG A 493 -6.848 -6.008 -4.607 1.00 0.00 C ATOM 1566 CD ARG A 493 -6.453 -7.366 -5.181 1.00 0.00 C ATOM 1567 NE ARG A 493 -7.432 -8.399 -4.848 1.00 0.00 N ATOM 1568 CZ ARG A 493 -7.167 -9.564 -4.245 1.00 0.00 C ATOM 1569 NH1 ARG A 493 -5.912 -9.896 -3.909 1.00 0.00 N ATOM 1570 NH2 ARG A 493 -8.157 -10.403 -3.994 1.00 0.00 N ATOM 0 H ARG A 493 -3.894 -6.904 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 493 -3.982 -3.996 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 493 -6.327 -3.930 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 493 -5.887 -4.826 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 493 -6.868 -6.073 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 493 -7.860 -5.765 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 493 -6.359 -7.290 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 493 -5.475 -7.654 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 493 -8.404 -8.216 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 493 -5.144 -9.257 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 493 -5.726 -10.788 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 493 -9.111 -10.160 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 493 -7.967 -11.294 -3.535 1.00 0.00 H new ATOM 1584 N PHE A 494 -4.335 -3.918 -2.424 1.00 0.00 N ATOM 1585 CA PHE A 494 -4.119 -3.863 -1.018 1.00 0.00 C ATOM 1586 C PHE A 494 -5.044 -2.858 -0.385 1.00 0.00 C ATOM 1587 O PHE A 494 -5.573 -1.968 -1.064 1.00 0.00 O ATOM 1588 CB PHE A 494 -2.662 -3.476 -0.740 1.00 0.00 C ATOM 1589 CG PHE A 494 -2.276 -2.107 -1.201 1.00 0.00 C ATOM 1590 CD1 PHE A 494 -1.904 -1.874 -2.500 1.00 0.00 C ATOM 1591 CD2 PHE A 494 -2.305 -1.055 -0.324 1.00 0.00 C ATOM 1592 CE1 PHE A 494 -1.565 -0.613 -2.909 1.00 0.00 C ATOM 1593 CE2 PHE A 494 -1.966 0.211 -0.721 1.00 0.00 C ATOM 1594 CZ PHE A 494 -1.599 0.431 -2.020 1.00 0.00 C ATOM 0 H PHE A 494 -4.487 -3.011 -2.866 1.00 0.00 H new ATOM 0 HA PHE A 494 -4.324 -4.844 -0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 494 -2.481 -3.547 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 494 -2.009 -4.204 -1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 494 -1.878 -2.691 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 494 -2.601 -1.227 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 494 -1.270 -0.439 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 494 -1.988 1.028 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 494 -1.336 1.427 -2.346 1.00 0.00 H new ATOM 1604 N MET A 495 -5.198 -2.953 0.889 1.00 0.00 N ATOM 1605 CA MET A 495 -6.034 -2.053 1.603 1.00 0.00 C ATOM 1606 C MET A 495 -5.308 -1.534 2.819 1.00 0.00 C ATOM 1607 O MET A 495 -4.910 -2.300 3.698 1.00 0.00 O ATOM 1608 CB MET A 495 -7.343 -2.731 2.012 1.00 0.00 C ATOM 1609 CG MET A 495 -8.354 -1.791 2.667 1.00 0.00 C ATOM 1610 SD MET A 495 -9.920 -2.609 3.021 1.00 0.00 S ATOM 1611 CE MET A 495 -10.916 -1.241 3.601 1.00 0.00 C ATOM 0 H MET A 495 -4.746 -3.660 1.468 1.00 0.00 H new ATOM 0 HA MET A 495 -6.279 -1.215 0.950 1.00 0.00 H new ATOM 0 HB2 MET A 495 -7.799 -3.179 1.129 1.00 0.00 H new ATOM 0 HB3 MET A 495 -7.118 -3.544 2.703 1.00 0.00 H new ATOM 0 HG2 MET A 495 -7.934 -1.398 3.593 1.00 0.00 H new ATOM 0 HG3 MET A 495 -8.532 -0.939 2.011 1.00 0.00 H new ATOM 0 HE1 MET A 495 -11.913 -1.600 3.857 1.00 0.00 H new ATOM 0 HE2 MET A 495 -10.451 -0.801 4.483 1.00 0.00 H new ATOM 0 HE3 MET A 495 -10.992 -0.488 2.817 1.00 0.00 H new ATOM 1621 N VAL A 496 -5.074 -0.251 2.822 1.00 0.00 N ATOM 1622 CA VAL A 496 -4.530 0.419 3.971 1.00 0.00 C ATOM 1623 C VAL A 496 -5.608 1.359 4.405 1.00 0.00 C ATOM 1624 O VAL A 496 -5.801 2.397 3.777 1.00 0.00 O ATOM 1625 CB VAL A 496 -3.280 1.253 3.567 1.00 0.00 C ATOM 1626 CG1 VAL A 496 -2.685 1.970 4.761 1.00 0.00 C ATOM 1627 CG2 VAL A 496 -2.244 0.367 2.932 1.00 0.00 C ATOM 0 H VAL A 496 -5.255 0.361 2.026 1.00 0.00 H new ATOM 0 HA VAL A 496 -4.231 -0.286 4.747 1.00 0.00 H new ATOM 0 HB VAL A 496 -3.601 2.004 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 496 -1.814 2.543 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 496 -3.428 2.644 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 496 -2.385 1.239 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 496 -1.375 0.964 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 496 -1.943 -0.405 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 496 -2.662 -0.101 2.041 1.00 0.00 H new ATOM 1684 N GLU A 500 -9.683 6.877 11.923 1.00 0.00 N ATOM 1685 CA GLU A 500 -9.194 7.455 13.189 1.00 0.00 C ATOM 1686 C GLU A 500 -7.664 7.386 13.256 1.00 0.00 C ATOM 1687 O GLU A 500 -7.017 8.114 14.006 1.00 0.00 O ATOM 1688 CB GLU A 500 -9.798 6.706 14.384 1.00 0.00 C ATOM 1689 CG GLU A 500 -9.446 5.225 14.422 1.00 0.00 C ATOM 1690 CD GLU A 500 -9.997 4.526 15.628 1.00 0.00 C ATOM 1691 OE1 GLU A 500 -9.414 4.649 16.710 1.00 0.00 O ATOM 1692 OE2 GLU A 500 -11.006 3.807 15.515 1.00 0.00 O ATOM 0 HA GLU A 500 -9.502 8.500 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 500 -9.455 7.175 15.306 1.00 0.00 H new ATOM 0 HB3 GLU A 500 -10.883 6.812 14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 500 -9.828 4.743 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 500 -8.362 5.114 14.407 1.00 0.00 H new ATOM 1699 N LYS A 501 -7.113 6.530 12.421 1.00 0.00 N ATOM 1700 CA LYS A 501 -5.696 6.278 12.321 1.00 0.00 C ATOM 1701 C LYS A 501 -4.987 7.540 11.878 1.00 0.00 C ATOM 1702 O LYS A 501 -3.957 7.893 12.417 1.00 0.00 O ATOM 1703 CB LYS A 501 -5.475 5.200 11.281 1.00 0.00 C ATOM 1704 CG LYS A 501 -4.245 4.323 11.472 1.00 0.00 C ATOM 1705 CD LYS A 501 -4.369 3.517 12.754 1.00 0.00 C ATOM 1706 CE LYS A 501 -3.310 2.433 12.880 1.00 0.00 C ATOM 1707 NZ LYS A 501 -1.940 2.961 12.833 1.00 0.00 N ATOM 0 H LYS A 501 -7.664 5.971 11.770 1.00 0.00 H new ATOM 0 HA LYS A 501 -5.305 5.963 13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -6.355 4.557 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -5.407 5.676 10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -4.133 3.651 10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -3.349 4.943 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -4.295 4.190 13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -5.357 3.058 12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -3.455 1.898 13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -3.442 1.709 12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -1.269 2.209 13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -1.730 3.297 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -1.849 3.751 13.503 1.00 0.00 H new ATOM 1721 N LYS A 502 -5.588 8.252 10.926 1.00 0.00 N ATOM 1722 CA LYS A 502 -4.967 9.459 10.389 1.00 0.00 C ATOM 1723 C LYS A 502 -5.096 10.620 11.387 1.00 0.00 C ATOM 1724 O LYS A 502 -4.352 11.600 11.338 1.00 0.00 O ATOM 1725 CB LYS A 502 -5.522 9.811 8.982 1.00 0.00 C ATOM 1726 CG LYS A 502 -6.941 10.381 8.917 1.00 0.00 C ATOM 1727 CD LYS A 502 -7.439 10.397 7.470 1.00 0.00 C ATOM 1728 CE LYS A 502 -8.640 11.326 7.251 1.00 0.00 C ATOM 1729 NZ LYS A 502 -9.807 11.043 8.126 1.00 0.00 N ATOM 0 H LYS A 502 -6.492 8.018 10.516 1.00 0.00 H new ATOM 0 HA LYS A 502 -3.903 9.268 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 502 -4.846 10.532 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 502 -5.491 8.909 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 502 -7.610 9.780 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 502 -6.954 11.392 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 502 -6.624 10.708 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 502 -7.714 9.384 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 502 -8.321 12.355 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 502 -8.956 11.251 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 502 -10.572 11.715 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 502 -10.141 10.073 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 502 -9.526 11.143 9.122 1.00 0.00 H new ATOM 1743 N ALA A 503 -6.037 10.488 12.302 1.00 0.00 N ATOM 1744 CA ALA A 503 -6.214 11.452 13.374 1.00 0.00 C ATOM 1745 C ALA A 503 -5.178 11.179 14.459 1.00 0.00 C ATOM 1746 O ALA A 503 -4.518 12.090 14.980 1.00 0.00 O ATOM 1747 CB ALA A 503 -7.614 11.345 13.948 1.00 0.00 C ATOM 0 H ALA A 503 -6.699 9.712 12.325 1.00 0.00 H new ATOM 0 HA ALA A 503 -6.080 12.461 12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -7.735 12.072 14.751 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -8.345 11.545 13.164 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -7.770 10.341 14.342 1.00 0.00 H new ATOM 1753 N ARG A 504 -5.019 9.908 14.773 1.00 0.00 N ATOM 1754 CA ARG A 504 -4.066 9.445 15.773 1.00 0.00 C ATOM 1755 C ARG A 504 -2.639 9.606 15.266 1.00 0.00 C ATOM 1756 O ARG A 504 -1.693 9.651 16.036 1.00 0.00 O ATOM 1757 CB ARG A 504 -4.395 8.002 16.155 1.00 0.00 C ATOM 1758 CG ARG A 504 -3.566 7.402 17.280 1.00 0.00 C ATOM 1759 CD ARG A 504 -4.252 6.155 17.806 1.00 0.00 C ATOM 1760 NE ARG A 504 -5.578 6.497 18.354 1.00 0.00 N ATOM 1761 CZ ARG A 504 -6.751 5.943 18.005 1.00 0.00 C ATOM 1762 NH1 ARG A 504 -6.794 4.876 17.222 1.00 0.00 N ATOM 1763 NH2 ARG A 504 -7.891 6.455 18.465 1.00 0.00 N ATOM 0 H ARG A 504 -5.553 9.156 14.338 1.00 0.00 H new ATOM 0 HA ARG A 504 -4.145 10.054 16.673 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -5.446 7.954 16.440 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -4.276 7.377 15.270 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -2.568 7.155 16.919 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -3.444 8.129 18.083 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -4.359 5.424 17.004 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -3.639 5.692 18.579 1.00 0.00 H new ATOM 0 HE ARG A 504 -5.607 7.225 19.068 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -5.928 4.463 16.875 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -7.693 4.467 16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -7.873 7.267 19.082 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -8.782 6.035 18.201 1.00 0.00 H new ATOM 1777 N GLN A 505 -2.517 9.720 13.965 1.00 0.00 N ATOM 1778 CA GLN A 505 -1.264 10.002 13.316 1.00 0.00 C ATOM 1779 C GLN A 505 -0.771 11.389 13.732 1.00 0.00 C ATOM 1780 O GLN A 505 0.422 11.587 13.996 1.00 0.00 O ATOM 1781 CB GLN A 505 -1.449 9.900 11.795 1.00 0.00 C ATOM 1782 CG GLN A 505 -0.197 10.137 10.976 1.00 0.00 C ATOM 1783 CD GLN A 505 0.956 9.280 11.428 1.00 0.00 C ATOM 1784 OE1 GLN A 505 0.760 8.196 11.963 1.00 0.00 O ATOM 1785 NE2 GLN A 505 2.155 9.726 11.180 1.00 0.00 N ATOM 0 H GLN A 505 -3.300 9.617 13.319 1.00 0.00 H new ATOM 0 HA GLN A 505 -0.510 9.275 13.618 1.00 0.00 H new ATOM 0 HB2 GLN A 505 -1.837 8.909 11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 505 -2.207 10.621 11.488 1.00 0.00 H new ATOM 0 HG2 GLN A 505 -0.409 9.932 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 505 0.086 11.187 11.045 1.00 0.00 H new ATOM 0 HE21 GLN A 505 2.279 10.634 10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 505 2.970 9.167 11.433 1.00 0.00 H new ATOM 1794 N ILE A 506 -1.698 12.334 13.811 1.00 0.00 N ATOM 1795 CA ILE A 506 -1.379 13.680 14.262 1.00 0.00 C ATOM 1796 C ILE A 506 -1.221 13.634 15.786 1.00 0.00 C ATOM 1797 O ILE A 506 -0.367 14.310 16.369 1.00 0.00 O ATOM 1798 CB ILE A 506 -2.493 14.704 13.871 1.00 0.00 C ATOM 1799 CG1 ILE A 506 -2.810 14.630 12.363 1.00 0.00 C ATOM 1800 CG2 ILE A 506 -2.074 16.127 14.239 1.00 0.00 C ATOM 1801 CD1 ILE A 506 -1.639 14.955 11.447 1.00 0.00 C ATOM 0 H ILE A 506 -2.678 12.192 13.568 1.00 0.00 H new ATOM 0 HA ILE A 506 -0.459 14.013 13.781 1.00 0.00 H new ATOM 0 HB ILE A 506 -3.391 14.442 14.430 1.00 0.00 H new ATOM 0 HG12 ILE A 506 -3.167 13.627 12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 506 -3.626 15.318 12.144 1.00 0.00 H new ATOM 0 HG21 ILE A 506 -2.864 16.823 13.958 1.00 0.00 H new ATOM 0 HG22 ILE A 506 -1.901 16.189 15.313 1.00 0.00 H new ATOM 0 HG23 ILE A 506 -1.157 16.385 13.708 1.00 0.00 H new ATOM 0 HD11 ILE A 506 -1.958 14.877 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 506 -1.293 15.969 11.645 1.00 0.00 H new ATOM 0 HD13 ILE A 506 -0.827 14.252 11.631 1.00 0.00 H new ATOM 1813 N GLY A 507 -2.030 12.794 16.408 1.00 0.00 N ATOM 1814 CA GLY A 507 -1.939 12.577 17.831 1.00 0.00 C ATOM 1815 C GLY A 507 -3.263 12.713 18.542 1.00 0.00 C ATOM 1816 O GLY A 507 -3.288 12.925 19.761 1.00 0.00 O ATOM 0 H GLY A 507 -2.758 12.252 15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -1.537 11.581 18.014 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -1.232 13.289 18.256 1.00 0.00 H new