USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 Single : A 38 MET CE :methyl 164:sc= -0.0824 (180deg=-0.601) USER MOD Single : A 40 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 49 GLN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.291 (180deg=-1.17!) USER MOD Single : A 66 THR OG1 : rot 82:sc= -0.527 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot -65:sc= 0.283 USER MOD Single : A 75 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.91) USER MOD Single : A 76 MET CE :methyl 180:sc= -0.549 (180deg=-0.549) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0618 K(o=-0.062,f=-1.8!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.132 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= -0.0886 (180deg=-0.438) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.100 0.764 6.744 1.00 0.00 N ATOM 525 CA GLU A 37 15.511 1.735 7.659 1.00 0.00 C ATOM 526 C GLU A 37 14.326 2.445 7.010 1.00 0.00 C ATOM 527 O GLU A 37 13.276 2.613 7.629 1.00 0.00 O ATOM 528 CB GLU A 37 16.560 2.762 8.091 1.00 0.00 C ATOM 529 CG GLU A 37 17.337 2.353 9.331 1.00 0.00 C ATOM 530 CD GLU A 37 16.594 2.665 10.615 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.393 3.863 10.908 1.00 0.00 O ATOM 532 OE2 GLU A 37 16.212 1.713 11.327 1.00 0.00 O ATOM 0 HA GLU A 37 15.154 1.198 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.259 2.922 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.067 3.716 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.547 1.284 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.299 2.866 9.338 1.00 0.00 H new ATOM 539 N MET A 38 14.504 2.859 5.760 1.00 0.00 N ATOM 540 CA MET A 38 13.449 3.550 5.027 1.00 0.00 C ATOM 541 C MET A 38 12.282 2.611 4.740 1.00 0.00 C ATOM 542 O MET A 38 11.122 3.021 4.768 1.00 0.00 O ATOM 543 CB MET A 38 13.997 4.117 3.716 1.00 0.00 C ATOM 544 CG MET A 38 14.423 3.048 2.723 1.00 0.00 C ATOM 545 SD MET A 38 14.604 3.689 1.047 1.00 0.00 S ATOM 546 CE MET A 38 15.412 5.255 1.370 1.00 0.00 C ATOM 0 H MET A 38 15.368 2.728 5.234 1.00 0.00 H new ATOM 0 HA MET A 38 13.088 4.371 5.647 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.236 4.746 3.255 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.851 4.758 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.369 2.614 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.687 2.244 2.723 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.844 5.639 0.446 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.683 5.969 1.753 1.00 0.00 H new ATOM 0 HE3 MET A 38 16.201 5.112 2.108 1.00 0.00 H new ATOM 556 N ARG A 39 12.597 1.349 4.464 1.00 0.00 N ATOM 557 CA ARG A 39 11.574 0.353 4.170 1.00 0.00 C ATOM 558 C ARG A 39 10.737 0.051 5.410 1.00 0.00 C ATOM 559 O ARG A 39 9.522 -0.116 5.325 1.00 0.00 O ATOM 560 CB ARG A 39 12.219 -0.933 3.651 1.00 0.00 C ATOM 561 CG ARG A 39 12.683 -0.842 2.207 1.00 0.00 C ATOM 562 CD ARG A 39 13.548 -2.033 1.823 1.00 0.00 C ATOM 563 NE ARG A 39 13.783 -2.097 0.383 1.00 0.00 N ATOM 564 CZ ARG A 39 14.667 -2.912 -0.181 1.00 0.00 C ATOM 565 NH1 ARG A 39 15.396 -3.727 0.569 1.00 0.00 N ATOM 566 NH2 ARG A 39 14.823 -2.913 -1.499 1.00 0.00 N ATOM 0 H ARG A 39 13.552 0.993 4.438 1.00 0.00 H new ATOM 0 HA ARG A 39 10.918 0.759 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.072 -1.182 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.504 -1.751 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.816 -0.793 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.246 0.080 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.503 -1.970 2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.065 -2.953 2.153 1.00 0.00 H new ATOM 0 HE ARG A 39 13.239 -1.482 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.279 -3.729 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.074 -4.352 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.264 -2.288 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.502 -3.539 -1.932 1.00 0.00 H new ATOM 580 N ASN A 40 11.398 -0.018 6.561 1.00 0.00 N ATOM 581 CA ASN A 40 10.716 -0.301 7.818 1.00 0.00 C ATOM 582 C ASN A 40 9.626 0.732 8.091 1.00 0.00 C ATOM 583 O ASN A 40 8.500 0.383 8.445 1.00 0.00 O ATOM 584 CB ASN A 40 11.718 -0.318 8.974 1.00 0.00 C ATOM 585 CG ASN A 40 12.387 -1.669 9.140 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.910 -2.678 8.620 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.498 -1.694 9.867 1.00 0.00 N ATOM 0 H ASN A 40 12.405 0.118 6.649 1.00 0.00 H new ATOM 0 HA ASN A 40 10.249 -1.283 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.480 0.443 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.206 -0.053 9.899 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.992 -2.574 10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.857 -0.833 10.279 1.00 0.00 H new ATOM 594 N SER A 41 9.970 2.005 7.922 1.00 0.00 N ATOM 595 CA SER A 41 9.023 3.089 8.152 1.00 0.00 C ATOM 596 C SER A 41 7.884 3.040 7.138 1.00 0.00 C ATOM 597 O SER A 41 6.710 3.103 7.504 1.00 0.00 O ATOM 598 CB SER A 41 9.734 4.442 8.072 1.00 0.00 C ATOM 599 OG SER A 41 9.080 5.409 8.875 1.00 0.00 O ATOM 0 H SER A 41 10.897 2.310 7.627 1.00 0.00 H new ATOM 0 HA SER A 41 8.603 2.965 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.768 4.333 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.761 4.782 7.037 1.00 0.00 H new ATOM 0 HG SER A 41 9.554 6.264 8.808 1.00 0.00 H new ATOM 605 N ILE A 42 8.240 2.927 5.863 1.00 0.00 N ATOM 606 CA ILE A 42 7.248 2.869 4.796 1.00 0.00 C ATOM 607 C ILE A 42 6.294 1.697 4.997 1.00 0.00 C ATOM 608 O ILE A 42 5.118 1.771 4.638 1.00 0.00 O ATOM 609 CB ILE A 42 7.916 2.742 3.414 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.915 3.881 3.200 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.863 2.740 2.316 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.066 3.512 2.289 1.00 0.00 C ATOM 0 H ILE A 42 9.207 2.874 5.544 1.00 0.00 H new ATOM 0 HA ILE A 42 6.686 3.802 4.835 1.00 0.00 H new ATOM 0 HB ILE A 42 8.457 1.797 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.391 4.739 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.312 4.192 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.350 2.650 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.186 1.898 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.297 3.671 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.734 4.367 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.615 2.673 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.679 3.230 1.310 1.00 0.00 H new ATOM 624 N LEU A 43 6.807 0.615 5.573 1.00 0.00 N ATOM 625 CA LEU A 43 5.999 -0.574 5.824 1.00 0.00 C ATOM 626 C LEU A 43 5.073 -0.361 7.017 1.00 0.00 C ATOM 627 O LEU A 43 3.964 -0.894 7.057 1.00 0.00 O ATOM 628 CB LEU A 43 6.902 -1.784 6.073 1.00 0.00 C ATOM 629 CG LEU A 43 7.425 -2.499 4.827 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.474 -3.532 5.206 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.280 -3.153 4.067 1.00 0.00 C ATOM 0 H LEU A 43 7.778 0.536 5.875 1.00 0.00 H new ATOM 0 HA LEU A 43 5.387 -0.761 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.757 -1.458 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.351 -2.505 6.677 1.00 0.00 H new ATOM 0 HG LEU A 43 7.891 -1.760 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.835 -4.031 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.307 -3.038 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.033 -4.269 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.671 -3.657 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.785 -3.880 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.563 -2.391 3.762 1.00 0.00 H new ATOM 643 N ALA A 44 5.535 0.422 7.986 1.00 0.00 N ATOM 644 CA ALA A 44 4.747 0.708 9.178 1.00 0.00 C ATOM 645 C ALA A 44 3.587 1.645 8.857 1.00 0.00 C ATOM 646 O ALA A 44 2.489 1.492 9.391 1.00 0.00 O ATOM 647 CB ALA A 44 5.628 1.309 10.263 1.00 0.00 C ATOM 0 H ALA A 44 6.451 0.870 7.969 1.00 0.00 H new ATOM 0 HA ALA A 44 4.332 -0.232 9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.025 1.517 11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.419 0.605 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.071 2.236 9.900 1.00 0.00 H new ATOM 653 N GLN A 45 3.839 2.613 7.982 1.00 0.00 N ATOM 654 CA GLN A 45 2.815 3.575 7.592 1.00 0.00 C ATOM 655 C GLN A 45 1.747 2.913 6.728 1.00 0.00 C ATOM 656 O GLN A 45 0.566 3.249 6.816 1.00 0.00 O ATOM 657 CB GLN A 45 3.446 4.745 6.836 1.00 0.00 C ATOM 658 CG GLN A 45 4.170 4.330 5.566 1.00 0.00 C ATOM 659 CD GLN A 45 4.812 5.501 4.850 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.559 6.276 5.448 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.524 5.638 3.561 1.00 0.00 N ATOM 0 H GLN A 45 4.743 2.752 7.530 1.00 0.00 H new ATOM 0 HA GLN A 45 2.341 3.951 8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.668 5.464 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.149 5.255 7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.937 3.596 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.465 3.841 4.894 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.900 4.973 3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.927 6.408 3.027 1.00 0.00 H new ATOM 670 N VAL A 46 2.170 1.970 5.892 1.00 0.00 N ATOM 671 CA VAL A 46 1.250 1.260 5.011 1.00 0.00 C ATOM 672 C VAL A 46 0.530 0.142 5.756 1.00 0.00 C ATOM 673 O VAL A 46 -0.533 -0.316 5.335 1.00 0.00 O ATOM 674 CB VAL A 46 1.985 0.663 3.796 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.604 1.766 2.951 1.00 0.00 C ATOM 676 CG2 VAL A 46 3.043 -0.331 4.249 1.00 0.00 C ATOM 0 H VAL A 46 3.144 1.680 5.806 1.00 0.00 H new ATOM 0 HA VAL A 46 0.519 1.989 4.661 1.00 0.00 H new ATOM 0 HB VAL A 46 1.260 0.131 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.119 1.325 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.821 2.435 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.317 2.329 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.552 -0.743 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.768 0.175 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.569 -1.138 4.807 1.00 0.00 H new ATOM 686 N LEU A 47 1.116 -0.295 6.866 1.00 0.00 N ATOM 687 CA LEU A 47 0.529 -1.361 7.671 1.00 0.00 C ATOM 688 C LEU A 47 0.170 -0.855 9.065 1.00 0.00 C ATOM 689 O LEU A 47 1.041 -0.440 9.829 1.00 0.00 O ATOM 690 CB LEU A 47 1.500 -2.539 7.778 1.00 0.00 C ATOM 691 CG LEU A 47 1.700 -3.361 6.505 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.036 -4.086 6.543 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.559 -4.351 6.324 1.00 0.00 C ATOM 0 H LEU A 47 1.996 0.072 7.229 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.385 -1.694 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.470 -2.157 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.146 -3.205 8.565 1.00 0.00 H new ATOM 0 HG LEU A 47 1.702 -2.681 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.161 -4.666 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.843 -3.358 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.063 -4.755 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.718 -4.927 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.524 -5.026 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.384 -3.810 6.251 1.00 0.00 H new ATOM 705 N ASP A 48 -1.118 -0.895 9.389 1.00 0.00 N ATOM 706 CA ASP A 48 -1.592 -0.444 10.692 1.00 0.00 C ATOM 707 C ASP A 48 -1.159 -1.408 11.792 1.00 0.00 C ATOM 708 O ASP A 48 -0.701 -2.515 11.513 1.00 0.00 O ATOM 709 CB ASP A 48 -3.116 -0.309 10.685 1.00 0.00 C ATOM 710 CG ASP A 48 -3.680 -0.042 12.067 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.694 1.135 12.484 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.108 -1.009 12.730 1.00 0.00 O ATOM 0 H ASP A 48 -1.852 -1.235 8.767 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.149 0.531 10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.403 0.502 10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.557 -1.223 10.286 1.00 0.00 H new ATOM 717 N GLN A 49 -1.308 -0.978 13.041 1.00 0.00 N ATOM 718 CA GLN A 49 -0.930 -1.804 14.182 1.00 0.00 C ATOM 719 C GLN A 49 -1.507 -3.210 14.052 1.00 0.00 C ATOM 720 O GLN A 49 -0.824 -4.199 14.316 1.00 0.00 O ATOM 721 CB GLN A 49 -1.410 -1.161 15.484 1.00 0.00 C ATOM 722 CG GLN A 49 -0.722 -1.710 16.723 1.00 0.00 C ATOM 723 CD GLN A 49 -1.597 -1.636 17.959 1.00 0.00 C ATOM 724 OE1 GLN A 49 -1.356 -0.830 18.858 1.00 0.00 O ATOM 725 NE2 GLN A 49 -2.622 -2.478 18.010 1.00 0.00 N ATOM 0 H GLN A 49 -1.687 -0.064 13.288 1.00 0.00 H new ATOM 0 HA GLN A 49 0.157 -1.878 14.201 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.242 -0.085 15.432 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.485 -1.311 15.579 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.437 -2.747 16.546 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.198 -1.153 16.900 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.785 -3.130 17.243 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.246 -2.473 18.817 1.00 0.00 H new ATOM 734 N SER A 50 -2.770 -3.290 13.643 1.00 0.00 N ATOM 735 CA SER A 50 -3.440 -4.575 13.482 1.00 0.00 C ATOM 736 C SER A 50 -2.650 -5.487 12.549 1.00 0.00 C ATOM 737 O SER A 50 -2.345 -6.629 12.892 1.00 0.00 O ATOM 738 CB SER A 50 -4.855 -4.371 12.937 1.00 0.00 C ATOM 739 OG SER A 50 -5.717 -3.854 13.935 1.00 0.00 O ATOM 0 H SER A 50 -3.349 -2.481 13.417 1.00 0.00 H new ATOM 0 HA SER A 50 -3.500 -5.051 14.461 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.826 -3.688 12.088 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.247 -5.320 12.570 1.00 0.00 H new ATOM 0 HG SER A 50 -6.614 -3.731 13.561 1.00 0.00 H new ATOM 745 N ALA A 51 -2.322 -4.974 11.368 1.00 0.00 N ATOM 746 CA ALA A 51 -1.565 -5.740 10.386 1.00 0.00 C ATOM 747 C ALA A 51 -0.159 -6.045 10.891 1.00 0.00 C ATOM 748 O ALA A 51 0.301 -7.185 10.826 1.00 0.00 O ATOM 749 CB ALA A 51 -1.502 -4.988 9.065 1.00 0.00 C ATOM 0 H ALA A 51 -2.569 -4.031 11.068 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.079 -6.688 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.934 -5.572 8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.512 -4.828 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.015 -4.025 9.217 1.00 0.00 H new ATOM 755 N ARG A 52 0.519 -5.018 11.395 1.00 0.00 N ATOM 756 CA ARG A 52 1.873 -5.176 11.910 1.00 0.00 C ATOM 757 C ARG A 52 2.002 -6.465 12.716 1.00 0.00 C ATOM 758 O ARG A 52 2.951 -7.228 12.540 1.00 0.00 O ATOM 759 CB ARG A 52 2.254 -3.978 12.780 1.00 0.00 C ATOM 760 CG ARG A 52 2.370 -2.675 12.006 1.00 0.00 C ATOM 761 CD ARG A 52 3.678 -2.601 11.234 1.00 0.00 C ATOM 762 NE ARG A 52 4.766 -2.069 12.050 1.00 0.00 N ATOM 763 CZ ARG A 52 6.032 -2.024 11.649 1.00 0.00 C ATOM 764 NH1 ARG A 52 6.366 -2.476 10.448 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.965 -1.525 12.449 1.00 0.00 N ATOM 0 H ARG A 52 0.152 -4.068 11.457 1.00 0.00 H new ATOM 0 HA ARG A 52 2.553 -5.230 11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.508 -3.859 13.566 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.205 -4.185 13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.532 -2.585 11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.305 -1.834 12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.945 -3.596 10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.544 -1.972 10.354 1.00 0.00 H new ATOM 0 HE ARG A 52 4.542 -1.712 12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.651 -2.859 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.338 -2.441 10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.711 -1.175 13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.937 -1.491 12.140 1.00 0.00 H new ATOM 779 N ALA A 53 1.039 -6.701 13.602 1.00 0.00 N ATOM 780 CA ALA A 53 1.044 -7.898 14.435 1.00 0.00 C ATOM 781 C ALA A 53 1.028 -9.161 13.581 1.00 0.00 C ATOM 782 O ALA A 53 1.968 -9.955 13.612 1.00 0.00 O ATOM 783 CB ALA A 53 -0.146 -7.885 15.384 1.00 0.00 C ATOM 0 H ALA A 53 0.246 -6.079 13.761 1.00 0.00 H new ATOM 0 HA ALA A 53 1.963 -7.899 15.021 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.130 -8.784 16.000 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.091 -7.005 16.025 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.071 -7.856 14.808 1.00 0.00 H new ATOM 789 N ARG A 54 -0.046 -9.341 12.818 1.00 0.00 N ATOM 790 CA ARG A 54 -0.185 -10.509 11.957 1.00 0.00 C ATOM 791 C ARG A 54 1.076 -10.722 11.123 1.00 0.00 C ATOM 792 O ARG A 54 1.687 -11.790 11.165 1.00 0.00 O ATOM 793 CB ARG A 54 -1.397 -10.350 11.037 1.00 0.00 C ATOM 794 CG ARG A 54 -1.700 -11.588 10.210 1.00 0.00 C ATOM 795 CD ARG A 54 -2.646 -12.528 10.940 1.00 0.00 C ATOM 796 NE ARG A 54 -3.109 -13.615 10.082 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.750 -14.687 10.534 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.003 -14.814 11.829 1.00 0.00 N ATOM 799 NH2 ARG A 54 -4.139 -15.634 9.690 1.00 0.00 N ATOM 0 H ARG A 54 -0.832 -8.692 12.779 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.332 -11.382 12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.271 -10.104 11.640 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.225 -9.508 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.142 -11.292 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.771 -12.110 9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.142 -12.944 11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.504 -11.965 11.307 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.930 -13.547 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.705 -14.088 12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.495 -15.638 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.946 -15.539 8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.631 -16.457 10.038 1.00 0.00 H new ATOM 813 N LEU A 55 1.458 -9.699 10.366 1.00 0.00 N ATOM 814 CA LEU A 55 2.645 -9.774 9.522 1.00 0.00 C ATOM 815 C LEU A 55 3.792 -10.462 10.255 1.00 0.00 C ATOM 816 O LEU A 55 4.546 -11.234 9.663 1.00 0.00 O ATOM 817 CB LEU A 55 3.072 -8.373 9.083 1.00 0.00 C ATOM 818 CG LEU A 55 4.256 -8.303 8.117 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.858 -8.833 6.748 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.773 -6.876 8.009 1.00 0.00 C ATOM 0 H LEU A 55 0.963 -8.808 10.320 1.00 0.00 H new ATOM 0 HA LEU A 55 2.397 -10.364 8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.217 -7.885 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.321 -7.795 9.973 1.00 0.00 H new ATOM 0 HG LEU A 55 5.058 -8.929 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.712 -8.776 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.536 -9.870 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.040 -8.233 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.615 -6.845 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.978 -6.228 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.097 -6.531 8.991 1.00 0.00 H new ATOM 832 N SER A 56 3.916 -10.179 11.547 1.00 0.00 N ATOM 833 CA SER A 56 4.972 -10.769 12.362 1.00 0.00 C ATOM 834 C SER A 56 4.723 -12.259 12.577 1.00 0.00 C ATOM 835 O SER A 56 5.645 -13.070 12.504 1.00 0.00 O ATOM 836 CB SER A 56 5.064 -10.055 13.712 1.00 0.00 C ATOM 837 OG SER A 56 6.365 -10.169 14.262 1.00 0.00 O ATOM 0 H SER A 56 3.298 -9.544 12.053 1.00 0.00 H new ATOM 0 HA SER A 56 5.917 -10.649 11.831 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.809 -9.002 13.588 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.335 -10.480 14.402 1.00 0.00 H new ATOM 0 HG SER A 56 6.398 -9.703 15.124 1.00 0.00 H new ATOM 843 N ASN A 57 3.469 -12.610 12.844 1.00 0.00 N ATOM 844 CA ASN A 57 3.098 -14.002 13.071 1.00 0.00 C ATOM 845 C ASN A 57 3.596 -14.891 11.936 1.00 0.00 C ATOM 846 O ASN A 57 4.088 -15.996 12.168 1.00 0.00 O ATOM 847 CB ASN A 57 1.579 -14.131 13.205 1.00 0.00 C ATOM 848 CG ASN A 57 1.128 -15.575 13.307 1.00 0.00 C ATOM 849 OD1 ASN A 57 1.883 -16.444 13.745 1.00 0.00 O ATOM 850 ND2 ASN A 57 -0.109 -15.839 12.902 1.00 0.00 N ATOM 0 H ASN A 57 2.694 -11.950 12.908 1.00 0.00 H new ATOM 0 HA ASN A 57 3.568 -14.330 13.998 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.248 -13.586 14.089 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.100 -13.664 12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.468 -16.793 12.947 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.700 -15.088 12.546 1.00 0.00 H new ATOM 857 N LEU A 58 3.467 -14.401 10.708 1.00 0.00 N ATOM 858 CA LEU A 58 3.905 -15.150 9.535 1.00 0.00 C ATOM 859 C LEU A 58 5.421 -15.317 9.531 1.00 0.00 C ATOM 860 O LEU A 58 5.939 -16.354 9.117 1.00 0.00 O ATOM 861 CB LEU A 58 3.455 -14.441 8.256 1.00 0.00 C ATOM 862 CG LEU A 58 3.570 -15.251 6.964 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.635 -16.450 7.001 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.269 -14.375 5.757 1.00 0.00 C ATOM 0 H LEU A 58 3.063 -13.488 10.499 1.00 0.00 H new ATOM 0 HA LEU A 58 3.449 -16.139 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.416 -14.137 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.042 -13.530 8.144 1.00 0.00 H new ATOM 0 HG LEU A 58 4.593 -15.616 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.730 -17.015 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.897 -17.090 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.607 -16.106 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.356 -14.968 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.256 -13.980 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.979 -13.549 5.721 1.00 0.00 H new ATOM 876 N ALA A 59 6.126 -14.291 9.996 1.00 0.00 N ATOM 877 CA ALA A 59 7.582 -14.327 10.050 1.00 0.00 C ATOM 878 C ALA A 59 8.072 -15.500 10.892 1.00 0.00 C ATOM 879 O ALA A 59 9.259 -15.827 10.888 1.00 0.00 O ATOM 880 CB ALA A 59 8.122 -13.016 10.603 1.00 0.00 C ATOM 0 H ALA A 59 5.712 -13.425 10.341 1.00 0.00 H new ATOM 0 HA ALA A 59 7.955 -14.462 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.211 -13.057 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.810 -12.194 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.733 -12.857 11.609 1.00 0.00 H new ATOM 886 N LEU A 60 7.151 -16.130 11.612 1.00 0.00 N ATOM 887 CA LEU A 60 7.489 -17.268 12.460 1.00 0.00 C ATOM 888 C LEU A 60 7.276 -18.583 11.718 1.00 0.00 C ATOM 889 O LEU A 60 8.223 -19.331 11.473 1.00 0.00 O ATOM 890 CB LEU A 60 6.645 -17.247 13.736 1.00 0.00 C ATOM 891 CG LEU A 60 6.896 -16.078 14.688 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.735 -15.920 15.658 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.201 -16.277 15.445 1.00 0.00 C ATOM 0 H LEU A 60 6.164 -15.872 11.626 1.00 0.00 H new ATOM 0 HA LEU A 60 8.543 -17.190 12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.593 -17.238 13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.821 -18.176 14.279 1.00 0.00 H new ATOM 0 HG LEU A 60 6.977 -15.165 14.098 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.932 -15.083 16.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.818 -15.731 15.100 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.622 -16.833 16.242 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.363 -15.435 16.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.149 -17.199 16.024 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.027 -16.339 14.736 1.00 0.00 H new ATOM 905 N VAL A 61 6.026 -18.859 11.358 1.00 0.00 N ATOM 906 CA VAL A 61 5.689 -20.082 10.640 1.00 0.00 C ATOM 907 C VAL A 61 6.512 -20.213 9.363 1.00 0.00 C ATOM 908 O VAL A 61 6.947 -21.307 9.001 1.00 0.00 O ATOM 909 CB VAL A 61 4.192 -20.127 10.280 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.784 -18.867 9.532 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.879 -21.369 9.460 1.00 0.00 C ATOM 0 H VAL A 61 5.230 -18.251 11.552 1.00 0.00 H new ATOM 0 HA VAL A 61 5.920 -20.914 11.305 1.00 0.00 H new ATOM 0 HB VAL A 61 3.615 -20.174 11.204 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.723 -18.917 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.970 -17.995 10.159 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.366 -18.784 8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.817 -21.385 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.464 -21.355 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.131 -22.259 10.037 1.00 0.00 H new ATOM 921 N LYS A 62 6.722 -19.092 8.683 1.00 0.00 N ATOM 922 CA LYS A 62 7.494 -19.079 7.446 1.00 0.00 C ATOM 923 C LYS A 62 7.751 -17.650 6.979 1.00 0.00 C ATOM 924 O LYS A 62 6.864 -16.972 6.459 1.00 0.00 O ATOM 925 CB LYS A 62 6.758 -19.859 6.354 1.00 0.00 C ATOM 926 CG LYS A 62 5.280 -19.526 6.259 1.00 0.00 C ATOM 927 CD LYS A 62 4.713 -19.889 4.897 1.00 0.00 C ATOM 928 CE LYS A 62 3.223 -20.187 4.975 1.00 0.00 C ATOM 929 NZ LYS A 62 2.960 -21.566 5.472 1.00 0.00 N ATOM 0 H LYS A 62 6.368 -18.179 8.968 1.00 0.00 H new ATOM 0 HA LYS A 62 8.454 -19.556 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.230 -19.655 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.870 -20.926 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.735 -20.062 7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.133 -18.462 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.885 -19.069 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.239 -20.758 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.742 -19.465 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.776 -20.065 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.934 -21.731 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.397 -22.256 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.365 -21.675 6.424 1.00 0.00 H new ATOM 943 N PRO A 63 8.993 -17.179 7.167 1.00 0.00 N ATOM 944 CA PRO A 63 9.395 -15.827 6.770 1.00 0.00 C ATOM 945 C PRO A 63 9.456 -15.661 5.255 1.00 0.00 C ATOM 946 O PRO A 63 9.005 -14.652 4.714 1.00 0.00 O ATOM 947 CB PRO A 63 10.791 -15.679 7.381 1.00 0.00 C ATOM 948 CG PRO A 63 11.302 -17.073 7.501 1.00 0.00 C ATOM 949 CD PRO A 63 10.100 -17.932 7.781 1.00 0.00 C ATOM 0 HA PRO A 63 8.684 -15.074 7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.438 -15.073 6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.748 -15.188 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.800 -17.386 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.034 -17.152 8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.204 -18.924 7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.946 -18.072 8.851 1.00 0.00 H new ATOM 957 N GLU A 64 10.016 -16.658 4.577 1.00 0.00 N ATOM 958 CA GLU A 64 10.135 -16.621 3.125 1.00 0.00 C ATOM 959 C GLU A 64 8.936 -15.917 2.498 1.00 0.00 C ATOM 960 O GLU A 64 9.090 -14.964 1.733 1.00 0.00 O ATOM 961 CB GLU A 64 10.257 -18.040 2.564 1.00 0.00 C ATOM 962 CG GLU A 64 10.948 -18.103 1.212 1.00 0.00 C ATOM 963 CD GLU A 64 10.788 -19.452 0.538 1.00 0.00 C ATOM 964 OE1 GLU A 64 9.645 -19.950 0.469 1.00 0.00 O ATOM 965 OE2 GLU A 64 11.808 -20.010 0.080 1.00 0.00 O ATOM 0 H GLU A 64 10.394 -17.501 5.010 1.00 0.00 H new ATOM 0 HA GLU A 64 11.036 -16.060 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.809 -18.656 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.261 -18.473 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.542 -17.327 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.009 -17.888 1.340 1.00 0.00 H new ATOM 972 N LYS A 65 7.739 -16.392 2.827 1.00 0.00 N ATOM 973 CA LYS A 65 6.512 -15.809 2.299 1.00 0.00 C ATOM 974 C LYS A 65 6.374 -14.351 2.726 1.00 0.00 C ATOM 975 O LYS A 65 6.127 -13.472 1.900 1.00 0.00 O ATOM 976 CB LYS A 65 5.297 -16.608 2.776 1.00 0.00 C ATOM 977 CG LYS A 65 4.133 -16.586 1.801 1.00 0.00 C ATOM 978 CD LYS A 65 3.435 -15.236 1.796 1.00 0.00 C ATOM 979 CE LYS A 65 2.063 -15.320 1.145 1.00 0.00 C ATOM 980 NZ LYS A 65 1.261 -16.453 1.685 1.00 0.00 N ATOM 0 H LYS A 65 7.593 -17.180 3.458 1.00 0.00 H new ATOM 0 HA LYS A 65 6.560 -15.847 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.597 -17.642 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.965 -16.210 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.493 -16.814 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.419 -17.365 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.332 -14.875 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.048 -14.510 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.526 -14.385 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.179 -15.438 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.249 -16.265 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.527 -17.331 1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.446 -16.555 2.703 1.00 0.00 H new ATOM 994 N THR A 66 6.538 -14.100 4.021 1.00 0.00 N ATOM 995 CA THR A 66 6.432 -12.749 4.557 1.00 0.00 C ATOM 996 C THR A 66 7.324 -11.781 3.788 1.00 0.00 C ATOM 997 O THR A 66 6.859 -10.758 3.285 1.00 0.00 O ATOM 998 CB THR A 66 6.813 -12.705 6.049 1.00 0.00 C ATOM 999 OG1 THR A 66 6.181 -13.783 6.748 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.404 -11.380 6.673 1.00 0.00 C ATOM 0 H THR A 66 6.745 -14.815 4.718 1.00 0.00 H new ATOM 0 HA THR A 66 5.391 -12.446 4.446 1.00 0.00 H new ATOM 0 HB THR A 66 7.895 -12.807 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.705 -14.603 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.683 -11.372 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.910 -10.564 6.158 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.325 -11.253 6.583 1.00 0.00 H new ATOM 1008 N LYS A 67 8.608 -12.110 3.699 1.00 0.00 N ATOM 1009 CA LYS A 67 9.567 -11.272 2.989 1.00 0.00 C ATOM 1010 C LYS A 67 8.931 -10.648 1.750 1.00 0.00 C ATOM 1011 O LYS A 67 8.825 -9.427 1.644 1.00 0.00 O ATOM 1012 CB LYS A 67 10.795 -12.092 2.588 1.00 0.00 C ATOM 1013 CG LYS A 67 11.798 -12.275 3.713 1.00 0.00 C ATOM 1014 CD LYS A 67 12.657 -13.509 3.499 1.00 0.00 C ATOM 1015 CE LYS A 67 13.683 -13.291 2.397 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.108 -14.574 1.772 1.00 0.00 N ATOM 0 H LYS A 67 9.009 -12.953 4.111 1.00 0.00 H new ATOM 0 HA LYS A 67 9.878 -10.471 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.469 -13.072 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.289 -11.604 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.436 -11.394 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.270 -12.359 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.168 -13.763 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.021 -14.356 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.262 -12.637 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.554 -12.781 2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.807 -14.382 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.533 -15.188 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.281 -15.049 1.357 1.00 0.00 H new ATOM 1030 N ALA A 68 8.510 -11.496 0.817 1.00 0.00 N ATOM 1031 CA ALA A 68 7.881 -11.028 -0.412 1.00 0.00 C ATOM 1032 C ALA A 68 6.867 -9.926 -0.125 1.00 0.00 C ATOM 1033 O ALA A 68 7.052 -8.778 -0.529 1.00 0.00 O ATOM 1034 CB ALA A 68 7.214 -12.187 -1.138 1.00 0.00 C ATOM 0 H ALA A 68 8.593 -12.510 0.889 1.00 0.00 H new ATOM 0 HA ALA A 68 8.658 -10.612 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.748 -11.823 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.962 -12.940 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.453 -12.629 -0.495 1.00 0.00 H new ATOM 1040 N VAL A 69 5.794 -10.283 0.574 1.00 0.00 N ATOM 1041 CA VAL A 69 4.750 -9.324 0.915 1.00 0.00 C ATOM 1042 C VAL A 69 5.348 -7.984 1.328 1.00 0.00 C ATOM 1043 O VAL A 69 5.095 -6.959 0.695 1.00 0.00 O ATOM 1044 CB VAL A 69 3.857 -9.848 2.055 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.757 -8.848 2.374 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.269 -11.203 1.690 1.00 0.00 C ATOM 0 H VAL A 69 5.625 -11.229 0.915 1.00 0.00 H new ATOM 0 HA VAL A 69 4.142 -9.187 0.021 1.00 0.00 H new ATOM 0 HB VAL A 69 4.471 -9.972 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.136 -9.235 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.203 -7.902 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.142 -8.689 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.641 -11.559 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.669 -11.107 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.076 -11.915 1.516 1.00 0.00 H new ATOM 1056 N GLU A 70 6.144 -8.000 2.392 1.00 0.00 N ATOM 1057 CA GLU A 70 6.779 -6.785 2.890 1.00 0.00 C ATOM 1058 C GLU A 70 7.255 -5.908 1.735 1.00 0.00 C ATOM 1059 O GLU A 70 6.982 -4.709 1.699 1.00 0.00 O ATOM 1060 CB GLU A 70 7.959 -7.135 3.799 1.00 0.00 C ATOM 1061 CG GLU A 70 7.549 -7.484 5.220 1.00 0.00 C ATOM 1062 CD GLU A 70 8.621 -8.258 5.962 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.252 -9.140 5.342 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.828 -7.983 7.162 1.00 0.00 O ATOM 0 H GLU A 70 6.365 -8.841 2.926 1.00 0.00 H new ATOM 0 HA GLU A 70 6.039 -6.229 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.501 -7.977 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.649 -6.292 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.325 -6.567 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.632 -8.073 5.196 1.00 0.00 H new ATOM 1071 N ASN A 71 7.968 -6.516 0.793 1.00 0.00 N ATOM 1072 CA ASN A 71 8.484 -5.792 -0.363 1.00 0.00 C ATOM 1073 C ASN A 71 7.356 -5.427 -1.324 1.00 0.00 C ATOM 1074 O ASN A 71 7.378 -4.367 -1.949 1.00 0.00 O ATOM 1075 CB ASN A 71 9.537 -6.631 -1.089 1.00 0.00 C ATOM 1076 CG ASN A 71 10.936 -6.391 -0.556 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.492 -5.303 -0.708 1.00 0.00 O ATOM 1078 ND2 ASN A 71 11.513 -7.409 0.072 1.00 0.00 N ATOM 0 H ASN A 71 8.202 -7.509 0.807 1.00 0.00 H new ATOM 0 HA ASN A 71 8.946 -4.871 -0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.289 -7.688 -0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.512 -6.399 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.454 -7.307 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.015 -8.293 0.175 1.00 0.00 H new ATOM 1085 N TYR A 72 6.373 -6.313 -1.436 1.00 0.00 N ATOM 1086 CA TYR A 72 5.237 -6.086 -2.321 1.00 0.00 C ATOM 1087 C TYR A 72 4.515 -4.792 -1.961 1.00 0.00 C ATOM 1088 O TYR A 72 4.058 -4.057 -2.837 1.00 0.00 O ATOM 1089 CB TYR A 72 4.263 -7.264 -2.248 1.00 0.00 C ATOM 1090 CG TYR A 72 2.910 -6.969 -2.854 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.799 -6.297 -4.065 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.740 -7.362 -2.214 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.565 -6.024 -4.621 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.501 -7.096 -2.764 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.419 -6.426 -3.967 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.813 -6.158 -4.518 1.00 0.00 O ATOM 0 H TYR A 72 6.340 -7.195 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 72 5.615 -5.998 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.702 -8.120 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.130 -7.550 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.694 -5.982 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.801 -7.884 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.497 -5.499 -5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.398 -7.411 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.955 -5.189 -4.546 1.00 0.00 H new ATOM 1106 N LEU A 73 4.416 -4.518 -0.664 1.00 0.00 N ATOM 1107 CA LEU A 73 3.751 -3.312 -0.185 1.00 0.00 C ATOM 1108 C LEU A 73 4.595 -2.074 -0.471 1.00 0.00 C ATOM 1109 O LEU A 73 4.091 -1.071 -0.978 1.00 0.00 O ATOM 1110 CB LEU A 73 3.475 -3.420 1.316 1.00 0.00 C ATOM 1111 CG LEU A 73 2.419 -4.444 1.732 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.225 -4.428 3.241 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.101 -4.170 1.021 1.00 0.00 C ATOM 0 H LEU A 73 4.788 -5.115 0.074 1.00 0.00 H new ATOM 0 HA LEU A 73 2.804 -3.214 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.410 -3.666 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.165 -2.440 1.680 1.00 0.00 H new ATOM 0 HG LEU A 73 2.767 -5.435 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.470 -5.163 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.167 -4.673 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.899 -3.437 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.361 -4.909 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.748 -3.172 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.249 -4.233 -0.057 1.00 0.00 H new ATOM 1125 N ILE A 74 5.880 -2.153 -0.144 1.00 0.00 N ATOM 1126 CA ILE A 74 6.794 -1.040 -0.369 1.00 0.00 C ATOM 1127 C ILE A 74 6.675 -0.510 -1.794 1.00 0.00 C ATOM 1128 O ILE A 74 6.560 0.696 -2.010 1.00 0.00 O ATOM 1129 CB ILE A 74 8.256 -1.450 -0.106 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.411 -1.977 1.321 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.187 -0.271 -0.346 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.646 -2.828 1.520 1.00 0.00 C ATOM 0 H ILE A 74 6.312 -2.975 0.277 1.00 0.00 H new ATOM 0 HA ILE A 74 6.513 -0.255 0.333 1.00 0.00 H new ATOM 0 HB ILE A 74 8.526 -2.247 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.447 -1.133 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.530 -2.563 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.216 -0.576 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.092 0.063 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.921 0.545 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.691 -3.167 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.603 -3.692 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.534 -2.239 1.292 1.00 0.00 H new ATOM 1144 N GLN A 75 6.703 -1.420 -2.762 1.00 0.00 N ATOM 1145 CA GLN A 75 6.597 -1.044 -4.167 1.00 0.00 C ATOM 1146 C GLN A 75 5.274 -0.337 -4.443 1.00 0.00 C ATOM 1147 O GLN A 75 5.219 0.617 -5.218 1.00 0.00 O ATOM 1148 CB GLN A 75 6.724 -2.281 -5.059 1.00 0.00 C ATOM 1149 CG GLN A 75 7.986 -3.088 -4.804 1.00 0.00 C ATOM 1150 CD GLN A 75 9.154 -2.629 -5.654 1.00 0.00 C ATOM 1151 OE1 GLN A 75 9.156 -1.515 -6.177 1.00 0.00 O ATOM 1152 NE2 GLN A 75 10.157 -3.489 -5.797 1.00 0.00 N ATOM 0 H GLN A 75 6.798 -2.422 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 75 7.410 -0.355 -4.395 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.856 -2.921 -4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.707 -1.969 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.256 -3.010 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.787 -4.141 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.114 -4.403 -5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.970 -3.235 -6.358 1.00 0.00 H new ATOM 1161 N MET A 76 4.210 -0.813 -3.804 1.00 0.00 N ATOM 1162 CA MET A 76 2.887 -0.226 -3.981 1.00 0.00 C ATOM 1163 C MET A 76 2.797 1.129 -3.285 1.00 0.00 C ATOM 1164 O MET A 76 2.083 2.023 -3.738 1.00 0.00 O ATOM 1165 CB MET A 76 1.811 -1.165 -3.434 1.00 0.00 C ATOM 1166 CG MET A 76 1.381 -2.237 -4.423 1.00 0.00 C ATOM 1167 SD MET A 76 -0.323 -2.771 -4.171 1.00 0.00 S ATOM 1168 CE MET A 76 -0.307 -3.138 -2.418 1.00 0.00 C ATOM 0 H MET A 76 4.238 -1.603 -3.159 1.00 0.00 H new ATOM 0 HA MET A 76 2.722 -0.079 -5.048 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.185 -1.645 -2.530 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.939 -0.577 -3.146 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.492 -1.855 -5.438 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.044 -3.097 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.294 -3.482 -2.109 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.428 -3.917 -2.216 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.045 -2.239 -1.860 1.00 0.00 H new ATOM 1178 N ALA A 77 3.525 1.273 -2.183 1.00 0.00 N ATOM 1179 CA ALA A 77 3.528 2.519 -1.426 1.00 0.00 C ATOM 1180 C ALA A 77 4.122 3.658 -2.247 1.00 0.00 C ATOM 1181 O ALA A 77 3.460 4.665 -2.499 1.00 0.00 O ATOM 1182 CB ALA A 77 4.298 2.345 -0.126 1.00 0.00 C ATOM 0 H ALA A 77 4.121 0.542 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 77 2.495 2.775 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.292 3.283 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.828 1.566 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.327 2.061 -0.348 1.00 0.00 H new ATOM 1188 N ARG A 78 5.374 3.493 -2.661 1.00 0.00 N ATOM 1189 CA ARG A 78 6.057 4.509 -3.452 1.00 0.00 C ATOM 1190 C ARG A 78 5.110 5.131 -4.474 1.00 0.00 C ATOM 1191 O ARG A 78 4.838 6.331 -4.434 1.00 0.00 O ATOM 1192 CB ARG A 78 7.267 3.902 -4.166 1.00 0.00 C ATOM 1193 CG ARG A 78 8.446 3.633 -3.244 1.00 0.00 C ATOM 1194 CD ARG A 78 9.551 2.873 -3.961 1.00 0.00 C ATOM 1195 NE ARG A 78 10.866 3.157 -3.394 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.966 2.486 -3.718 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.908 1.498 -4.600 1.00 0.00 N ATOM 1198 NH2 ARG A 78 13.127 2.803 -3.159 1.00 0.00 N ATOM 0 H ARG A 78 5.936 2.665 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 78 6.398 5.292 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.967 2.968 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.585 4.576 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.838 4.578 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.110 3.060 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.353 1.803 -3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.547 3.139 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 78 10.945 3.911 -2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.017 1.251 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.754 0.985 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.176 3.562 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.971 2.287 -3.408 1.00 0.00 H new ATOM 1212 N TYR A 79 4.611 4.307 -5.389 1.00 0.00 N ATOM 1213 CA TYR A 79 3.697 4.776 -6.423 1.00 0.00 C ATOM 1214 C TYR A 79 2.518 5.525 -5.809 1.00 0.00 C ATOM 1215 O TYR A 79 2.197 6.641 -6.215 1.00 0.00 O ATOM 1216 CB TYR A 79 3.188 3.599 -7.256 1.00 0.00 C ATOM 1217 CG TYR A 79 4.161 3.147 -8.322 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.355 2.523 -7.982 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.885 3.343 -9.670 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.247 2.110 -8.953 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.770 2.932 -10.648 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.950 2.316 -10.284 1.00 0.00 C ATOM 1223 OH TYR A 79 6.835 1.905 -11.254 1.00 0.00 O ATOM 0 H TYR A 79 4.824 3.311 -5.435 1.00 0.00 H new ATOM 0 HA TYR A 79 4.243 5.462 -7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.973 2.761 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.247 3.880 -7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.590 2.358 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.962 3.825 -9.958 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.172 1.628 -8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.540 3.092 -11.691 1.00 0.00 H new ATOM 0 HH TYR A 79 6.475 2.123 -12.139 1.00 0.00 H new ATOM 1233 N GLY A 80 1.877 4.902 -4.824 1.00 0.00 N ATOM 1234 CA GLY A 80 0.741 5.523 -4.169 1.00 0.00 C ATOM 1235 C GLY A 80 -0.564 4.816 -4.476 1.00 0.00 C ATOM 1236 O GLY A 80 -1.602 5.458 -4.635 1.00 0.00 O ATOM 0 H GLY A 80 2.125 3.979 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.904 5.526 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.669 6.564 -4.483 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.512 3.491 -4.562 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.699 2.697 -4.855 1.00 0.00 C ATOM 1242 C GLN A 81 -2.467 2.375 -3.578 1.00 0.00 C ATOM 1243 O GLN A 81 -3.693 2.492 -3.531 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.309 1.403 -5.571 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.699 1.627 -6.945 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.861 0.429 -7.859 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -1.460 -0.578 -7.480 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -0.327 0.531 -9.070 1.00 0.00 N ATOM 0 H GLN A 81 0.340 2.945 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.346 3.283 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.598 0.855 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.193 0.774 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.165 2.497 -7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.361 1.854 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.161 1.384 -9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.405 -0.244 -9.728 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.740 1.967 -2.543 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.354 1.627 -1.264 1.00 0.00 C ATOM 1259 C LEU A 82 -3.315 2.722 -0.812 1.00 0.00 C ATOM 1260 O LEU A 82 -2.891 3.781 -0.351 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.275 1.408 -0.201 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.490 0.100 -0.301 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.917 0.279 0.247 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.215 -1.014 0.440 1.00 0.00 C ATOM 0 H LEU A 82 -0.725 1.864 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.920 0.705 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.569 2.237 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.746 1.451 0.781 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.416 -0.178 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.461 -0.662 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.436 1.047 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.864 0.581 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.642 -1.938 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.320 -0.744 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.203 -1.160 0.002 1.00 0.00 H new ATOM 1276 N SER A 83 -4.610 2.457 -0.947 1.00 0.00 N ATOM 1277 CA SER A 83 -5.632 3.420 -0.554 1.00 0.00 C ATOM 1278 C SER A 83 -5.322 4.013 0.817 1.00 0.00 C ATOM 1279 O SER A 83 -5.055 5.207 0.943 1.00 0.00 O ATOM 1280 CB SER A 83 -7.010 2.756 -0.535 1.00 0.00 C ATOM 1281 OG SER A 83 -7.016 1.620 0.313 1.00 0.00 O ATOM 0 H SER A 83 -4.977 1.584 -1.325 1.00 0.00 H new ATOM 0 HA SER A 83 -5.636 4.227 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.758 3.472 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.289 2.460 -1.546 1.00 0.00 H new ATOM 0 HG SER A 83 -7.908 1.214 0.310 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.359 3.167 1.842 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.082 3.607 3.205 1.00 0.00 C ATOM 1289 C GLU A 84 -4.478 2.474 4.030 1.00 0.00 C ATOM 1290 O GLU A 84 -4.401 1.332 3.576 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.364 4.110 3.872 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.402 3.023 4.095 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.247 2.762 2.863 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -8.489 3.717 2.096 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.666 1.602 2.667 1.00 0.00 O ATOM 0 H GLU A 84 -5.578 2.175 1.755 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.361 4.423 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.111 4.561 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.800 4.896 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.900 2.101 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.051 3.310 4.922 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.051 2.798 5.245 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.454 1.810 6.136 1.00 0.00 C ATOM 1304 C LYS A 85 -4.187 0.476 6.038 1.00 0.00 C ATOM 1305 O LYS A 85 -5.391 0.399 6.281 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.480 2.314 7.581 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.468 3.411 7.861 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.468 3.808 9.328 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.668 5.081 9.561 1.00 0.00 C ATOM 1310 NZ LYS A 85 -1.605 5.440 11.005 1.00 0.00 N ATOM 0 H LYS A 85 -4.107 3.738 5.636 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.419 1.659 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.479 2.686 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.291 1.477 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.473 3.071 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.695 4.283 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.494 3.955 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.048 2.999 9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.657 4.950 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.119 5.901 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.052 6.313 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.568 5.590 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.151 4.669 11.535 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.452 -0.573 5.682 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.032 -1.905 5.554 1.00 0.00 C ATOM 1326 C VAL A 86 -4.208 -2.560 6.919 1.00 0.00 C ATOM 1327 O VAL A 86 -3.247 -2.721 7.671 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.160 -2.814 4.669 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.668 -4.247 4.712 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -3.128 -2.294 3.240 1.00 0.00 C ATOM 0 H VAL A 86 -2.454 -0.526 5.477 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.008 -1.782 5.084 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.142 -2.803 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.039 -4.875 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.634 -4.614 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.695 -4.280 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.507 -2.949 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.141 -2.274 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.713 -1.286 3.229 1.00 0.00 H new ATOM 1340 N SER A 87 -5.443 -2.938 7.234 1.00 0.00 N ATOM 1341 CA SER A 87 -5.747 -3.573 8.511 1.00 0.00 C ATOM 1342 C SER A 87 -5.601 -5.089 8.411 1.00 0.00 C ATOM 1343 O SER A 87 -5.468 -5.639 7.319 1.00 0.00 O ATOM 1344 CB SER A 87 -7.165 -3.215 8.959 1.00 0.00 C ATOM 1345 OG SER A 87 -8.114 -3.543 7.959 1.00 0.00 O ATOM 0 H SER A 87 -6.250 -2.815 6.622 1.00 0.00 H new ATOM 0 HA SER A 87 -5.036 -3.204 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.404 -3.747 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.221 -2.150 9.182 1.00 0.00 H new ATOM 0 HG SER A 87 -9.012 -3.306 8.270 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.626 -5.756 9.561 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.495 -7.208 9.603 1.00 0.00 C ATOM 1353 C GLU A 88 -6.200 -7.853 8.413 1.00 0.00 C ATOM 1354 O GLU A 88 -5.569 -8.518 7.592 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.073 -7.756 10.910 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.706 -9.206 11.176 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.735 -9.921 12.031 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -6.964 -9.478 13.177 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -7.311 -10.921 11.555 1.00 0.00 O ATOM 0 H GLU A 88 -5.736 -5.315 10.474 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.434 -7.453 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.720 -7.143 11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.159 -7.663 10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.601 -9.730 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.736 -9.246 11.672 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.511 -7.650 8.328 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.301 -8.212 7.239 1.00 0.00 C ATOM 1368 C GLN A 89 -7.692 -7.860 5.886 1.00 0.00 C ATOM 1369 O GLN A 89 -7.500 -8.728 5.035 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.742 -7.704 7.312 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.646 -8.562 8.182 1.00 0.00 C ATOM 1372 CD GLN A 89 -12.067 -8.037 8.242 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.953 -8.526 7.540 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.293 -7.034 9.083 1.00 0.00 N ATOM 0 H GLN A 89 -8.048 -7.101 9.000 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.300 -9.297 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.740 -6.685 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.155 -7.662 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.655 -9.581 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.236 -8.607 9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.530 -6.659 9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.230 -6.639 9.166 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.391 -6.579 5.694 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.807 -6.135 4.441 1.00 0.00 C ATOM 1385 C GLY A 90 -5.494 -6.827 4.135 1.00 0.00 C ATOM 1386 O GLY A 90 -5.157 -7.050 2.972 1.00 0.00 O ATOM 0 H GLY A 90 -7.541 -5.842 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.510 -6.322 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.646 -5.058 4.481 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.749 -7.167 5.181 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.463 -7.837 5.019 1.00 0.00 C ATOM 1392 C LEU A 91 -3.649 -9.246 4.466 1.00 0.00 C ATOM 1393 O LEU A 91 -3.213 -9.549 3.355 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.724 -7.896 6.357 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.271 -8.370 6.302 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.331 -7.190 6.115 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.915 -9.144 7.562 1.00 0.00 C ATOM 0 H LEU A 91 -5.013 -6.990 6.150 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.869 -7.263 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.744 -6.902 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.276 -8.557 7.025 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.158 -9.036 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.698 -7.547 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.571 -6.678 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.445 -6.498 6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.122 -9.474 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.045 -8.501 8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.567 -10.013 7.652 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.301 -10.101 5.246 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.548 -11.477 4.832 1.00 0.00 C ATOM 1411 C ILE A 92 -4.857 -11.555 3.341 1.00 0.00 C ATOM 1412 O ILE A 92 -4.444 -12.493 2.660 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.714 -12.101 5.620 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.355 -12.211 7.104 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.065 -13.468 5.052 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.558 -12.195 8.020 1.00 0.00 C ATOM 0 H ILE A 92 -4.668 -9.866 6.168 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.637 -12.038 5.042 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.586 -11.454 5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.797 -13.133 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.694 -11.387 7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.891 -13.897 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.358 -13.364 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.198 -14.125 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.228 -12.276 9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.105 -11.262 7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.209 -13.035 7.780 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.585 -10.562 2.840 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.948 -10.518 1.429 1.00 0.00 C ATOM 1430 C GLU A 93 -4.705 -10.419 0.549 1.00 0.00 C ATOM 1431 O GLU A 93 -4.598 -11.100 -0.471 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.877 -9.333 1.154 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.266 -9.499 1.746 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.129 -8.266 1.562 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.241 -7.787 0.414 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.692 -7.779 2.565 1.00 0.00 O ATOM 0 H GLU A 93 -5.935 -9.778 3.390 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.470 -11.443 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.425 -8.427 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.965 -9.193 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.756 -10.354 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.179 -9.722 2.809 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.770 -9.566 0.952 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.534 -9.377 0.202 1.00 0.00 C ATOM 1445 C ILE A 94 -1.812 -10.704 -0.010 1.00 0.00 C ATOM 1446 O ILE A 94 -1.404 -11.030 -1.125 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.585 -8.398 0.917 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.309 -7.085 1.224 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.350 -8.142 0.067 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.412 -6.027 1.829 1.00 0.00 C ATOM 0 H ILE A 94 -3.844 -8.995 1.794 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.813 -8.958 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.267 -8.845 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.746 -6.697 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.133 -7.285 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.311 -7.448 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.174 -9.082 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.649 -7.712 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.992 -5.124 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.995 -6.396 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.602 -5.798 1.137 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.659 -11.466 1.067 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.987 -12.759 1.000 1.00 0.00 C ATOM 1464 C LEU A 95 -1.622 -13.648 -0.065 1.00 0.00 C ATOM 1465 O LEU A 95 -0.938 -14.429 -0.727 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.041 -13.456 2.361 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.600 -12.618 3.562 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.980 -13.309 4.862 1.00 0.00 C ATOM 1469 CD2 LEU A 95 0.898 -12.360 3.510 1.00 0.00 C ATOM 0 H LEU A 95 -1.991 -11.211 1.997 1.00 0.00 H new ATOM 0 HA LEU A 95 0.054 -12.586 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.063 -13.793 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.415 -14.347 2.316 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.115 -11.658 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.659 -12.699 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.061 -13.442 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.493 -14.283 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.194 -11.762 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.432 -13.310 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.143 -11.822 2.594 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.935 -13.522 -0.226 1.00 0.00 N ATOM 1482 CA LYS A 96 -3.664 -14.311 -1.213 1.00 0.00 C ATOM 1483 C LYS A 96 -3.302 -13.879 -2.630 1.00 0.00 C ATOM 1484 O LYS A 96 -3.525 -14.616 -3.591 1.00 0.00 O ATOM 1485 CB LYS A 96 -5.172 -14.170 -0.995 1.00 0.00 C ATOM 1486 CG LYS A 96 -5.753 -15.217 -0.061 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.731 -14.748 1.385 1.00 0.00 C ATOM 1488 CE LYS A 96 -4.442 -15.152 2.083 1.00 0.00 C ATOM 1489 NZ LYS A 96 -4.343 -16.628 2.254 1.00 0.00 N ATOM 0 H LYS A 96 -3.516 -12.881 0.314 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.381 -15.356 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.381 -13.179 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.677 -14.235 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.778 -15.441 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.185 -16.143 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.840 -13.664 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.583 -15.170 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.589 -14.795 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.391 -14.669 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.722 -16.843 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.289 -17.021 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.949 -17.052 1.390 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.740 -12.681 -2.753 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.343 -12.151 -4.052 1.00 0.00 C ATOM 1505 C LYS A 97 -0.868 -12.428 -4.325 1.00 0.00 C ATOM 1506 O LYS A 97 -0.499 -12.859 -5.418 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.611 -10.646 -4.116 1.00 0.00 C ATOM 1508 CG LYS A 97 -4.058 -10.274 -3.843 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.361 -8.852 -4.285 1.00 0.00 C ATOM 1510 CE LYS A 97 -5.822 -8.690 -4.677 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.086 -7.360 -5.293 1.00 0.00 N ATOM 0 H LYS A 97 -2.549 -12.058 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.936 -12.652 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.972 -10.140 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.330 -10.277 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.718 -10.967 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.267 -10.377 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.121 -8.160 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.725 -8.589 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.099 -9.477 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.451 -8.813 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.092 -7.288 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.845 -6.609 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.505 -7.252 -6.149 1.00 0.00 H new ATOM 1525 N VAL A 98 -0.029 -12.178 -3.325 1.00 0.00 N ATOM 1526 CA VAL A 98 1.406 -12.402 -3.457 1.00 0.00 C ATOM 1527 C VAL A 98 1.721 -13.890 -3.564 1.00 0.00 C ATOM 1528 O VAL A 98 2.368 -14.330 -4.515 1.00 0.00 O ATOM 1529 CB VAL A 98 2.178 -11.809 -2.264 1.00 0.00 C ATOM 1530 CG1 VAL A 98 3.614 -12.312 -2.254 1.00 0.00 C ATOM 1531 CG2 VAL A 98 2.138 -10.289 -2.306 1.00 0.00 C ATOM 0 H VAL A 98 -0.318 -11.820 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 98 1.723 -11.900 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 98 1.696 -12.137 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.144 -11.882 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.618 -13.399 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.110 -12.015 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.689 -9.887 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.594 -9.938 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.103 -9.951 -2.261 1.00 0.00 H new