USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 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 43 LYS NZ :NH3+ -127:sc= -0.174 (180deg=-0.803) USER MOD Single : A 50 ASN : amide:sc= -3.42! C(o=-3.4!,f=-5.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -112:sc= -0.235 (180deg=-0.689) USER MOD Single : A 56 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.72) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -160:sc= -0.156 (180deg=-0.684) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.97 F(o=-7.8!,f=-2) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.994 K(o=-0.99,f=-5.8!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.955 1.104 5.423 1.00 0.00 N ATOM 545 CA LEU A 35 2.110 0.203 4.650 1.00 0.00 C ATOM 546 C LEU A 35 1.019 -0.396 5.533 1.00 0.00 C ATOM 547 O LEU A 35 -0.070 -0.720 5.058 1.00 0.00 O ATOM 548 CB LEU A 35 2.949 -0.916 4.032 1.00 0.00 C ATOM 549 CG LEU A 35 2.236 -1.745 2.964 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.348 -1.074 1.604 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.803 -3.154 2.915 1.00 0.00 C ATOM 0 HA LEU A 35 1.641 0.777 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.844 -0.477 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.279 -1.584 4.828 1.00 0.00 H new ATOM 0 HG LEU A 35 1.180 -1.810 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.835 -1.679 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.891 -0.085 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.399 -0.976 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.283 -3.729 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.866 -3.110 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.668 -3.635 3.884 1.00 0.00 H new ATOM 563 N GLU A 36 1.324 -0.542 6.820 1.00 0.00 N ATOM 564 CA GLU A 36 0.377 -1.106 7.777 1.00 0.00 C ATOM 565 C GLU A 36 -0.868 -0.232 7.893 1.00 0.00 C ATOM 566 O GLU A 36 -1.981 -0.739 8.042 1.00 0.00 O ATOM 567 CB GLU A 36 1.037 -1.260 9.149 1.00 0.00 C ATOM 568 CG GLU A 36 0.114 -1.831 10.214 1.00 0.00 C ATOM 569 CD GLU A 36 -0.372 -3.228 9.878 1.00 0.00 C ATOM 570 OE1 GLU A 36 0.305 -4.202 10.269 1.00 0.00 O ATOM 571 OE2 GLU A 36 -1.432 -3.346 9.228 1.00 0.00 O ATOM 0 H GLU A 36 2.222 -0.277 7.225 1.00 0.00 H new ATOM 0 HA GLU A 36 0.075 -2.088 7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.908 -1.907 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.399 -0.286 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.638 -1.853 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.745 -1.171 10.336 1.00 0.00 H new ATOM 578 N GLU A 37 -0.674 1.082 7.827 1.00 0.00 N ATOM 579 CA GLU A 37 -1.783 2.023 7.923 1.00 0.00 C ATOM 580 C GLU A 37 -2.785 1.796 6.795 1.00 0.00 C ATOM 581 O GLU A 37 -3.980 2.049 6.950 1.00 0.00 O ATOM 582 CB GLU A 37 -1.263 3.462 7.878 1.00 0.00 C ATOM 583 CG GLU A 37 -2.352 4.509 8.050 1.00 0.00 C ATOM 584 CD GLU A 37 -1.812 5.924 8.012 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.690 6.484 6.902 1.00 0.00 O ATOM 586 OE2 GLU A 37 -1.509 6.472 9.092 1.00 0.00 O ATOM 0 H GLU A 37 0.240 1.518 7.708 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.289 1.857 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.517 3.594 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.759 3.628 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.096 4.387 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.862 4.344 8.999 1.00 0.00 H new ATOM 593 N ILE A 38 -2.286 1.316 5.661 1.00 0.00 N ATOM 594 CA ILE A 38 -3.131 1.049 4.503 1.00 0.00 C ATOM 595 C ILE A 38 -4.135 -0.058 4.802 1.00 0.00 C ATOM 596 O ILE A 38 -5.344 0.127 4.649 1.00 0.00 O ATOM 597 CB ILE A 38 -2.284 0.645 3.279 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.263 1.738 2.959 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.179 0.377 2.077 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.209 1.307 1.966 1.00 0.00 C ATOM 0 H ILE A 38 -1.299 1.104 5.519 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.669 1.970 4.278 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.746 -0.273 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.787 2.609 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.775 2.050 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.565 0.093 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.871 -0.432 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.743 1.278 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.481 2.132 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.341 0.455 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.687 1.023 1.028 1.00 0.00 H new ATOM 612 N ARG A 39 -3.626 -1.209 5.230 1.00 0.00 N ATOM 613 CA ARG A 39 -4.474 -2.349 5.552 1.00 0.00 C ATOM 614 C ARG A 39 -5.458 -2.005 6.663 1.00 0.00 C ATOM 615 O ARG A 39 -6.656 -1.912 6.420 1.00 0.00 O ATOM 616 CB ARG A 39 -3.622 -3.552 5.962 1.00 0.00 C ATOM 617 CG ARG A 39 -2.729 -4.071 4.848 1.00 0.00 C ATOM 618 CD ARG A 39 -1.268 -3.749 5.106 1.00 0.00 C ATOM 619 NE ARG A 39 -0.752 -4.457 6.274 1.00 0.00 N ATOM 620 CZ ARG A 39 0.532 -4.472 6.622 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.429 -3.815 5.898 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.920 -5.145 7.696 1.00 0.00 N ATOM 0 H ARG A 39 -2.628 -1.376 5.362 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.042 -2.605 4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.002 -3.274 6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.279 -4.356 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.853 -5.150 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.037 -3.631 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.677 -4.016 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.153 -2.675 5.253 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.414 -4.970 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.135 -3.296 5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.412 -3.829 6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.234 -5.652 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.904 -5.156 7.963 1.00 0.00 H new ATOM 636 N GLU A 40 -4.942 -1.796 7.872 1.00 0.00 N ATOM 637 CA GLU A 40 -5.779 -1.477 9.032 1.00 0.00 C ATOM 638 C GLU A 40 -6.910 -0.509 8.681 1.00 0.00 C ATOM 639 O GLU A 40 -7.942 -0.492 9.345 1.00 0.00 O ATOM 640 CB GLU A 40 -4.925 -0.886 10.158 1.00 0.00 C ATOM 641 CG GLU A 40 -4.351 0.483 9.835 1.00 0.00 C ATOM 642 CD GLU A 40 -3.615 1.098 11.009 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.272 1.757 11.842 1.00 0.00 O ATOM 644 OE2 GLU A 40 -2.381 0.919 11.096 1.00 0.00 O ATOM 0 H GLU A 40 -3.944 -1.842 8.077 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.233 -2.410 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.531 -0.812 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.106 -1.571 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.670 0.397 8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.158 1.148 9.528 1.00 0.00 H new ATOM 651 N ALA A 41 -6.720 0.288 7.637 1.00 0.00 N ATOM 652 CA ALA A 41 -7.731 1.253 7.221 1.00 0.00 C ATOM 653 C ALA A 41 -8.974 0.572 6.641 1.00 0.00 C ATOM 654 O ALA A 41 -9.979 0.379 7.334 1.00 0.00 O ATOM 655 CB ALA A 41 -7.142 2.224 6.208 1.00 0.00 C ATOM 0 H ALA A 41 -5.877 0.286 7.063 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.045 1.801 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.905 2.940 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.304 2.756 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.794 1.672 5.335 1.00 0.00 H new ATOM 661 N PHE A 42 -8.895 0.190 5.372 1.00 0.00 N ATOM 662 CA PHE A 42 -10.021 -0.435 4.689 1.00 0.00 C ATOM 663 C PHE A 42 -10.232 -1.886 5.118 1.00 0.00 C ATOM 664 O PHE A 42 -11.333 -2.421 4.990 1.00 0.00 O ATOM 665 CB PHE A 42 -9.816 -0.351 3.175 1.00 0.00 C ATOM 666 CG PHE A 42 -10.355 0.915 2.564 1.00 0.00 C ATOM 667 CD1 PHE A 42 -10.137 2.145 3.167 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.087 0.872 1.388 1.00 0.00 C ATOM 669 CE1 PHE A 42 -10.637 3.306 2.608 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.591 2.029 0.826 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.365 3.248 1.435 1.00 0.00 C ATOM 0 H PHE A 42 -8.062 0.302 4.794 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.921 0.111 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.751 -0.425 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.299 -1.207 2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.570 2.196 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.266 -0.077 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.459 4.257 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.162 1.980 -0.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.756 4.154 0.995 1.00 0.00 H new ATOM 681 N LYS A 43 -9.184 -2.516 5.632 1.00 0.00 N ATOM 682 CA LYS A 43 -9.274 -3.908 6.063 1.00 0.00 C ATOM 683 C LYS A 43 -10.223 -4.066 7.250 1.00 0.00 C ATOM 684 O LYS A 43 -10.995 -5.024 7.304 1.00 0.00 O ATOM 685 CB LYS A 43 -7.891 -4.457 6.424 1.00 0.00 C ATOM 686 CG LYS A 43 -7.679 -5.900 5.999 1.00 0.00 C ATOM 687 CD LYS A 43 -6.752 -6.001 4.796 1.00 0.00 C ATOM 688 CE LYS A 43 -7.332 -5.301 3.574 1.00 0.00 C ATOM 689 NZ LYS A 43 -8.635 -5.889 3.161 1.00 0.00 N ATOM 0 H LYS A 43 -8.266 -2.090 5.761 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.675 -4.481 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.129 -3.834 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.749 -4.380 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.260 -6.467 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.640 -6.353 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.786 -5.560 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.573 -7.050 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.465 -4.241 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.625 -5.370 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.597 -6.144 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.826 -6.741 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.394 -5.194 3.314 1.00 0.00 H new ATOM 703 N VAL A 44 -10.171 -3.130 8.199 1.00 0.00 N ATOM 704 CA VAL A 44 -11.042 -3.207 9.369 1.00 0.00 C ATOM 705 C VAL A 44 -12.496 -2.944 8.999 1.00 0.00 C ATOM 706 O VAL A 44 -13.403 -3.527 9.593 1.00 0.00 O ATOM 707 CB VAL A 44 -10.624 -2.235 10.491 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.215 -2.544 10.973 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.741 -0.791 10.029 1.00 0.00 C ATOM 0 H VAL A 44 -9.546 -2.324 8.181 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.938 -4.225 9.745 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.304 -2.372 11.331 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.940 -1.847 11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.177 -3.563 11.358 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.516 -2.444 10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.441 -0.125 10.838 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.093 -0.631 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.774 -0.581 9.750 1.00 0.00 H new ATOM 719 N PHE A 45 -12.728 -2.063 8.021 1.00 0.00 N ATOM 720 CA PHE A 45 -14.097 -1.766 7.603 1.00 0.00 C ATOM 721 C PHE A 45 -14.795 -3.037 7.129 1.00 0.00 C ATOM 722 O PHE A 45 -16.023 -3.092 7.052 1.00 0.00 O ATOM 723 CB PHE A 45 -14.134 -0.694 6.508 1.00 0.00 C ATOM 724 CG PHE A 45 -13.729 0.673 6.991 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.369 1.258 8.074 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.711 1.371 6.364 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.000 2.513 8.519 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.338 2.626 6.805 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.983 3.198 7.884 1.00 0.00 C ATOM 0 H PHE A 45 -12.003 -1.555 7.515 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.629 -1.371 8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.473 -0.994 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.142 -0.641 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.165 0.726 8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.202 0.929 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.507 2.958 9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.542 3.160 6.306 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.693 4.179 8.230 1.00 0.00 H new ATOM 739 N ASP A 46 -14.001 -4.059 6.814 1.00 0.00 N ATOM 740 CA ASP A 46 -14.543 -5.339 6.372 1.00 0.00 C ATOM 741 C ASP A 46 -15.045 -6.128 7.577 1.00 0.00 C ATOM 742 O ASP A 46 -14.278 -6.821 8.246 1.00 0.00 O ATOM 743 CB ASP A 46 -13.480 -6.143 5.621 1.00 0.00 C ATOM 744 CG ASP A 46 -14.062 -7.343 4.900 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.057 -7.910 5.396 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.527 -7.712 3.835 1.00 0.00 O ATOM 0 H ASP A 46 -12.983 -4.024 6.857 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.375 -5.153 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.982 -5.496 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.719 -6.480 6.325 1.00 0.00 H new ATOM 751 N ARG A 47 -16.340 -6.012 7.844 1.00 0.00 N ATOM 752 CA ARG A 47 -16.964 -6.685 8.978 1.00 0.00 C ATOM 753 C ARG A 47 -16.723 -8.195 8.957 1.00 0.00 C ATOM 754 O ARG A 47 -16.539 -8.811 10.006 1.00 0.00 O ATOM 755 CB ARG A 47 -18.467 -6.397 8.989 1.00 0.00 C ATOM 756 CG ARG A 47 -18.801 -4.933 8.750 1.00 0.00 C ATOM 757 CD ARG A 47 -20.294 -4.672 8.883 1.00 0.00 C ATOM 758 NE ARG A 47 -21.076 -5.469 7.941 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.342 -5.212 7.626 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.969 -4.180 8.174 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.981 -5.988 6.760 1.00 0.00 N ATOM 0 H ARG A 47 -16.984 -5.453 7.285 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.505 -6.294 9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.951 -7.003 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.882 -6.705 9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.257 -4.314 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.467 -4.640 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.612 -4.898 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.493 -3.614 8.715 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.624 -6.270 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.480 -3.581 8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.940 -3.985 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.501 -6.782 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.952 -5.791 6.518 1.00 0.00 H new ATOM 775 N ASP A 48 -16.728 -8.787 7.767 1.00 0.00 N ATOM 776 CA ASP A 48 -16.524 -10.228 7.634 1.00 0.00 C ATOM 777 C ASP A 48 -15.038 -10.586 7.605 1.00 0.00 C ATOM 778 O ASP A 48 -14.662 -11.727 7.878 1.00 0.00 O ATOM 779 CB ASP A 48 -17.204 -10.736 6.364 1.00 0.00 C ATOM 780 CG ASP A 48 -18.477 -9.977 6.047 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.530 -10.313 6.628 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.419 -9.045 5.216 1.00 0.00 O ATOM 0 H ASP A 48 -16.870 -8.296 6.884 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.968 -10.709 8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.513 -10.648 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.434 -11.795 6.477 1.00 0.00 H new ATOM 787 N GLY A 49 -14.200 -9.608 7.278 1.00 0.00 N ATOM 788 CA GLY A 49 -12.765 -9.837 7.224 1.00 0.00 C ATOM 789 C GLY A 49 -12.374 -10.992 6.318 1.00 0.00 C ATOM 790 O GLY A 49 -11.678 -11.913 6.746 1.00 0.00 O ATOM 0 H GLY A 49 -14.489 -8.657 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.272 -8.929 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.397 -10.034 8.231 1.00 0.00 H new ATOM 794 N ASN A 50 -12.820 -10.947 5.064 1.00 0.00 N ATOM 795 CA ASN A 50 -12.496 -11.997 4.101 1.00 0.00 C ATOM 796 C ASN A 50 -11.376 -11.546 3.170 1.00 0.00 C ATOM 797 O ASN A 50 -10.914 -12.311 2.323 1.00 0.00 O ATOM 798 CB ASN A 50 -13.724 -12.379 3.272 1.00 0.00 C ATOM 799 CG ASN A 50 -15.028 -12.072 3.976 1.00 0.00 C ATOM 800 OD1 ASN A 50 -15.623 -11.017 3.761 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.478 -12.992 4.821 1.00 0.00 N ATOM 0 H ASN A 50 -13.404 -10.198 4.692 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.165 -12.870 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.695 -11.845 2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.683 -13.443 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.352 -12.839 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.950 -13.852 4.967 1.00 0.00 H new ATOM 808 N GLY A 51 -10.944 -10.299 3.335 1.00 0.00 N ATOM 809 CA GLY A 51 -9.889 -9.762 2.496 1.00 0.00 C ATOM 810 C GLY A 51 -10.442 -8.940 1.350 1.00 0.00 C ATOM 811 O GLY A 51 -9.696 -8.257 0.646 1.00 0.00 O ATOM 0 H GLY A 51 -11.306 -9.651 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.225 -9.143 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.289 -10.581 2.099 1.00 0.00 H new ATOM 815 N PHE A 52 -11.757 -9.010 1.165 1.00 0.00 N ATOM 816 CA PHE A 52 -12.427 -8.270 0.102 1.00 0.00 C ATOM 817 C PHE A 52 -13.565 -7.434 0.676 1.00 0.00 C ATOM 818 O PHE A 52 -14.404 -7.941 1.422 1.00 0.00 O ATOM 819 CB PHE A 52 -12.969 -9.237 -0.952 1.00 0.00 C ATOM 820 CG PHE A 52 -12.037 -10.375 -1.259 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.036 -10.234 -2.206 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.163 -11.585 -0.596 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.177 -11.281 -2.486 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.308 -12.634 -0.871 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.314 -12.482 -1.817 1.00 0.00 C ATOM 0 H PHE A 52 -12.382 -9.575 1.741 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.704 -7.603 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.921 -9.641 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.170 -8.685 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.925 -9.297 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.939 -11.709 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.400 -11.160 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.417 -13.572 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.644 -13.301 -2.034 1.00 0.00 H new ATOM 835 N ILE A 53 -13.593 -6.155 0.321 1.00 0.00 N ATOM 836 CA ILE A 53 -14.623 -5.253 0.818 1.00 0.00 C ATOM 837 C ILE A 53 -15.739 -5.059 -0.205 1.00 0.00 C ATOM 838 O ILE A 53 -15.485 -4.756 -1.370 1.00 0.00 O ATOM 839 CB ILE A 53 -14.027 -3.881 1.191 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.934 -4.052 2.248 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.117 -2.946 1.697 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.806 -3.054 2.113 1.00 0.00 C ATOM 0 H ILE A 53 -12.917 -5.721 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.044 -5.715 1.711 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.584 -3.438 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.379 -3.955 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.527 -5.061 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.678 -1.982 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.867 -2.806 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.587 -3.379 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.067 -3.233 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.336 -3.166 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.201 -2.043 2.212 1.00 0.00 H new ATOM 854 N SER A 54 -16.977 -5.236 0.248 1.00 0.00 N ATOM 855 CA SER A 54 -18.143 -5.083 -0.614 1.00 0.00 C ATOM 856 C SER A 54 -18.592 -3.627 -0.666 1.00 0.00 C ATOM 857 O SER A 54 -17.990 -2.763 -0.028 1.00 0.00 O ATOM 858 CB SER A 54 -19.288 -5.963 -0.113 1.00 0.00 C ATOM 859 OG SER A 54 -18.990 -7.338 -0.284 1.00 0.00 O ATOM 0 H SER A 54 -17.198 -5.487 1.212 1.00 0.00 H new ATOM 0 HA SER A 54 -17.865 -5.395 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.474 -5.757 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.203 -5.717 -0.652 1.00 0.00 H new ATOM 0 HG SER A 54 -19.738 -7.878 0.046 1.00 0.00 H new ATOM 865 N LYS A 55 -19.650 -3.358 -1.425 1.00 0.00 N ATOM 866 CA LYS A 55 -20.168 -2.001 -1.551 1.00 0.00 C ATOM 867 C LYS A 55 -20.769 -1.522 -0.233 1.00 0.00 C ATOM 868 O LYS A 55 -20.465 -0.423 0.235 1.00 0.00 O ATOM 869 CB LYS A 55 -21.223 -1.934 -2.660 1.00 0.00 C ATOM 870 CG LYS A 55 -20.733 -2.449 -4.006 1.00 0.00 C ATOM 871 CD LYS A 55 -21.051 -3.924 -4.195 1.00 0.00 C ATOM 872 CE LYS A 55 -22.542 -4.152 -4.387 1.00 0.00 C ATOM 873 NZ LYS A 55 -23.063 -3.442 -5.587 1.00 0.00 N ATOM 0 H LYS A 55 -20.163 -4.059 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.336 -1.346 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.094 -2.514 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.551 -0.901 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.196 -1.872 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.657 -2.296 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.509 -4.306 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.705 -4.486 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.736 -5.220 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -23.078 -3.810 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.698 -2.675 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.268 -3.043 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -23.587 -4.111 -6.186 1.00 0.00 H new ATOM 887 N GLN A 56 -21.621 -2.354 0.361 1.00 0.00 N ATOM 888 CA GLN A 56 -22.268 -2.016 1.624 1.00 0.00 C ATOM 889 C GLN A 56 -21.235 -1.706 2.702 1.00 0.00 C ATOM 890 O GLN A 56 -21.390 -0.757 3.471 1.00 0.00 O ATOM 891 CB GLN A 56 -23.173 -3.162 2.080 1.00 0.00 C ATOM 892 CG GLN A 56 -24.312 -3.459 1.117 1.00 0.00 C ATOM 893 CD GLN A 56 -25.238 -2.273 0.925 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.415 -1.456 1.828 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.836 -2.174 -0.257 1.00 0.00 N ATOM 0 H GLN A 56 -21.879 -3.267 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.875 -1.125 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.571 -4.062 2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.589 -2.918 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.899 -3.753 0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.886 -4.307 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.660 -2.874 -0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.471 -1.398 -0.444 1.00 0.00 H new ATOM 904 N GLU A 57 -20.179 -2.513 2.751 1.00 0.00 N ATOM 905 CA GLU A 57 -19.115 -2.323 3.730 1.00 0.00 C ATOM 906 C GLU A 57 -18.379 -1.012 3.475 1.00 0.00 C ATOM 907 O GLU A 57 -18.098 -0.250 4.402 1.00 0.00 O ATOM 908 CB GLU A 57 -18.139 -3.498 3.671 1.00 0.00 C ATOM 909 CG GLU A 57 -18.773 -4.831 4.033 1.00 0.00 C ATOM 910 CD GLU A 57 -17.792 -5.984 3.959 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.607 -6.537 2.854 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.210 -6.335 5.006 1.00 0.00 O ATOM 0 H GLU A 57 -20.038 -3.305 2.124 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.559 -2.278 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.722 -3.564 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.308 -3.304 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.183 -4.772 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.608 -5.026 3.360 1.00 0.00 H new ATOM 919 N LEU A 58 -18.069 -0.760 2.210 1.00 0.00 N ATOM 920 CA LEU A 58 -17.377 0.460 1.818 1.00 0.00 C ATOM 921 C LEU A 58 -18.216 1.680 2.189 1.00 0.00 C ATOM 922 O LEU A 58 -17.699 2.787 2.333 1.00 0.00 O ATOM 923 CB LEU A 58 -17.109 0.443 0.308 1.00 0.00 C ATOM 924 CG LEU A 58 -15.782 1.060 -0.149 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.764 2.560 0.100 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.607 0.386 0.545 1.00 0.00 C ATOM 0 H LEU A 58 -18.287 -1.387 1.436 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.425 0.515 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.142 -0.591 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.922 0.970 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.686 0.895 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.812 2.973 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.577 3.030 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.891 2.754 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.675 0.839 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.700 0.512 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.602 -0.677 0.303 1.00 0.00 H new ATOM 938 N GLY A 59 -19.519 1.458 2.353 1.00 0.00 N ATOM 939 CA GLY A 59 -20.417 2.541 2.708 1.00 0.00 C ATOM 940 C GLY A 59 -20.114 3.102 4.080 1.00 0.00 C ATOM 941 O GLY A 59 -20.418 4.259 4.368 1.00 0.00 O ATOM 0 H GLY A 59 -19.967 0.548 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.338 3.335 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.446 2.182 2.682 1.00 0.00 H new ATOM 945 N THR A 60 -19.512 2.275 4.929 1.00 0.00 N ATOM 946 CA THR A 60 -19.156 2.688 6.278 1.00 0.00 C ATOM 947 C THR A 60 -17.776 3.338 6.287 1.00 0.00 C ATOM 948 O THR A 60 -17.439 4.100 7.192 1.00 0.00 O ATOM 949 CB THR A 60 -19.159 1.494 7.253 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.389 0.768 7.132 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.987 1.962 8.690 1.00 0.00 C ATOM 0 H THR A 60 -19.261 1.312 4.704 1.00 0.00 H new ATOM 0 HA THR A 60 -19.905 3.408 6.607 1.00 0.00 H new ATOM 0 HB THR A 60 -18.322 0.845 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.384 0.010 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.993 1.100 9.357 1.00 0.00 H new ATOM 0 HG22 THR A 60 -18.039 2.491 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.806 2.631 8.955 1.00 0.00 H new ATOM 959 N ALA A 61 -16.983 3.024 5.266 1.00 0.00 N ATOM 960 CA ALA A 61 -15.639 3.577 5.141 1.00 0.00 C ATOM 961 C ALA A 61 -15.678 5.038 4.704 1.00 0.00 C ATOM 962 O ALA A 61 -14.964 5.880 5.250 1.00 0.00 O ATOM 963 CB ALA A 61 -14.823 2.758 4.154 1.00 0.00 C ATOM 0 H ALA A 61 -17.249 2.389 4.513 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.166 3.531 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.822 3.181 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.753 1.729 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.308 2.776 3.178 1.00 0.00 H new ATOM 969 N MET A 62 -16.514 5.331 3.714 1.00 0.00 N ATOM 970 CA MET A 62 -16.644 6.687 3.190 1.00 0.00 C ATOM 971 C MET A 62 -17.173 7.656 4.244 1.00 0.00 C ATOM 972 O MET A 62 -16.606 8.730 4.445 1.00 0.00 O ATOM 973 CB MET A 62 -17.565 6.691 1.970 1.00 0.00 C ATOM 974 CG MET A 62 -17.014 5.904 0.792 1.00 0.00 C ATOM 975 SD MET A 62 -15.432 6.544 0.212 1.00 0.00 S ATOM 976 CE MET A 62 -15.888 8.217 -0.232 1.00 0.00 C ATOM 0 H MET A 62 -17.114 4.645 3.256 1.00 0.00 H new ATOM 0 HA MET A 62 -15.649 7.024 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.532 6.276 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.739 7.721 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.896 4.860 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.734 5.929 -0.026 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.147 8.626 -0.919 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.866 8.212 -0.714 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.930 8.833 0.666 1.00 0.00 H new ATOM 986 N ARG A 63 -18.260 7.277 4.912 1.00 0.00 N ATOM 987 CA ARG A 63 -18.860 8.129 5.937 1.00 0.00 C ATOM 988 C ARG A 63 -17.832 8.540 6.986 1.00 0.00 C ATOM 989 O ARG A 63 -17.967 9.586 7.622 1.00 0.00 O ATOM 990 CB ARG A 63 -20.039 7.419 6.606 1.00 0.00 C ATOM 991 CG ARG A 63 -19.673 6.099 7.262 1.00 0.00 C ATOM 992 CD ARG A 63 -20.890 5.424 7.874 1.00 0.00 C ATOM 993 NE ARG A 63 -21.947 5.208 6.889 1.00 0.00 N ATOM 994 CZ ARG A 63 -23.018 4.450 7.108 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.173 3.832 8.273 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.936 4.309 6.162 1.00 0.00 N ATOM 0 H ARG A 63 -18.742 6.390 4.763 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.224 9.031 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.469 8.080 7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.813 7.240 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.222 5.437 6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.924 6.271 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.596 4.468 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.274 6.037 8.689 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.859 5.665 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.469 3.938 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.996 3.252 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.821 4.782 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.757 3.728 6.331 1.00 0.00 H new ATOM 1010 N SER A 64 -16.804 7.714 7.163 1.00 0.00 N ATOM 1011 CA SER A 64 -15.753 8.005 8.132 1.00 0.00 C ATOM 1012 C SER A 64 -15.027 9.297 7.767 1.00 0.00 C ATOM 1013 O SER A 64 -14.723 10.117 8.634 1.00 0.00 O ATOM 1014 CB SER A 64 -14.753 6.850 8.202 1.00 0.00 C ATOM 1015 OG SER A 64 -13.719 7.127 9.129 1.00 0.00 O ATOM 0 H SER A 64 -16.677 6.842 6.650 1.00 0.00 H new ATOM 0 HA SER A 64 -16.219 8.128 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.269 5.935 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.324 6.676 7.215 1.00 0.00 H new ATOM 0 HG SER A 64 -13.094 6.373 9.156 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.755 9.468 6.477 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.066 10.658 5.988 1.00 0.00 C ATOM 1023 C LEU A 65 -14.956 11.892 6.109 1.00 0.00 C ATOM 1024 O LEU A 65 -14.471 13.023 6.083 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.646 10.461 4.529 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.102 9.071 4.187 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.787 8.974 2.703 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.864 8.758 5.016 1.00 0.00 C ATOM 0 H LEU A 65 -15.002 8.796 5.750 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.178 10.812 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.505 10.664 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.885 11.202 4.284 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.869 8.335 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.401 7.980 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.695 9.151 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.039 9.722 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.494 7.766 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.091 9.499 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.119 8.785 6.075 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.259 11.663 6.240 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.199 12.763 6.365 1.00 0.00 C ATOM 1042 C GLY A 66 -18.196 12.805 5.224 1.00 0.00 C ATOM 1043 O GLY A 66 -19.074 13.668 5.189 1.00 0.00 O ATOM 0 H GLY A 66 -16.681 10.735 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.736 12.673 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.650 13.704 6.399 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.061 11.868 4.290 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.960 11.795 3.143 1.00 0.00 C ATOM 1049 C TYR A 67 -19.882 10.586 3.262 1.00 0.00 C ATOM 1050 O TYR A 67 -19.430 9.443 3.200 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.160 11.711 1.843 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.139 12.815 1.685 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.493 14.040 1.136 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.822 12.630 2.084 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.562 15.051 0.989 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.885 13.635 1.941 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.260 14.843 1.393 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.330 15.847 1.248 1.00 0.00 O ATOM 0 H TYR A 67 -17.338 11.149 4.305 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.567 12.700 3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.650 10.748 1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.850 11.743 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.512 14.206 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.525 11.685 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.853 15.999 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.865 13.475 2.257 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.462 15.539 1.582 1.00 0.00 H new ATOM 1068 N MET A 68 -21.174 10.847 3.434 1.00 0.00 N ATOM 1069 CA MET A 68 -22.161 9.781 3.566 1.00 0.00 C ATOM 1070 C MET A 68 -22.731 9.378 2.203 1.00 0.00 C ATOM 1071 O MET A 68 -23.499 10.129 1.600 1.00 0.00 O ATOM 1072 CB MET A 68 -23.293 10.229 4.495 1.00 0.00 C ATOM 1073 CG MET A 68 -23.834 11.613 4.173 1.00 0.00 C ATOM 1074 SD MET A 68 -25.132 12.135 5.311 1.00 0.00 S ATOM 1075 CE MET A 68 -25.480 13.780 4.695 1.00 0.00 C ATOM 0 H MET A 68 -21.562 11.789 3.485 1.00 0.00 H new ATOM 0 HA MET A 68 -21.663 8.911 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.107 9.507 4.436 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.933 10.219 5.524 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.017 12.334 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.225 11.618 3.156 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.265 14.236 5.298 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.578 14.389 4.754 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.809 13.718 3.658 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.358 8.186 1.692 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.839 7.693 0.405 1.00 0.00 C ATOM 1087 C PRO A 69 -24.122 6.882 0.539 1.00 0.00 C ATOM 1088 O PRO A 69 -24.383 6.278 1.580 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.690 6.798 -0.044 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.158 6.215 1.224 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.428 7.224 2.317 1.00 0.00 C ATOM 0 HA PRO A 69 -23.087 8.496 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.035 6.020 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.925 7.368 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.644 5.265 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.090 6.014 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.871 6.753 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.510 7.712 2.646 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.921 6.873 -0.522 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.175 6.131 -0.530 1.00 0.00 C ATOM 1101 C ASN A 70 -26.012 4.802 -1.260 1.00 0.00 C ATOM 1102 O ASN A 70 -24.925 4.479 -1.735 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.280 6.958 -1.183 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.756 7.797 -2.324 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.570 7.169 -3.475 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -26.506 8.992 -2.171 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.722 7.372 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.455 5.925 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.062 6.293 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.738 7.606 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.665 9.434 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.140 9.540 -2.949 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.096 4.040 -1.352 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.066 2.743 -2.021 1.00 0.00 C ATOM 1115 C GLU A 71 -26.630 2.877 -3.479 1.00 0.00 C ATOM 1116 O GLU A 71 -26.153 1.916 -4.083 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.444 2.081 -1.949 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.538 2.875 -2.647 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.900 2.218 -2.533 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.231 1.384 -3.402 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.636 2.538 -1.577 1.00 0.00 O ATOM 0 H GLU A 71 -28.007 4.297 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.336 2.119 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.385 1.089 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.718 1.943 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.585 3.876 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.282 2.991 -3.700 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.794 4.071 -4.036 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.429 4.324 -5.426 1.00 0.00 C ATOM 1130 C VAL A 72 -24.980 4.795 -5.551 1.00 0.00 C ATOM 1131 O VAL A 72 -24.359 4.644 -6.603 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.357 5.378 -6.059 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.111 5.485 -7.556 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.813 5.044 -5.772 1.00 0.00 C ATOM 0 H VAL A 72 -27.177 4.880 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.539 3.378 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.133 6.346 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.777 6.235 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -26.076 5.776 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.303 4.521 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.456 5.798 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -29.051 4.066 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.977 5.028 -4.695 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.448 5.363 -4.473 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.074 5.861 -4.473 1.00 0.00 C ATOM 1146 C GLU A 73 -22.067 4.736 -4.249 1.00 0.00 C ATOM 1147 O GLU A 73 -21.104 4.599 -5.003 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.899 6.934 -3.398 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.562 8.258 -3.742 1.00 0.00 C ATOM 1150 CD GLU A 73 -22.945 8.918 -4.960 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -21.974 9.685 -4.791 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.434 8.669 -6.082 1.00 0.00 O ATOM 0 H GLU A 73 -24.944 5.490 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.882 6.295 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.311 6.565 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.834 7.102 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.624 8.093 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.484 8.932 -2.889 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.293 3.935 -3.210 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.395 2.827 -2.885 1.00 0.00 C ATOM 1161 C LEU A 74 -21.193 1.890 -4.074 1.00 0.00 C ATOM 1162 O LEU A 74 -20.288 1.056 -4.068 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.926 2.044 -1.679 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.427 1.745 -1.697 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.736 0.561 -2.600 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.933 1.487 -0.287 1.00 0.00 C ATOM 0 H LEU A 74 -23.089 4.031 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.425 3.257 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.386 1.099 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.696 2.605 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.942 2.618 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.809 0.370 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.412 0.784 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.209 -0.321 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -25.002 1.276 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.406 0.633 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.754 2.367 0.331 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.039 2.028 -5.091 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.949 1.185 -6.279 1.00 0.00 C ATOM 1180 C GLU A 75 -20.960 1.750 -7.299 1.00 0.00 C ATOM 1181 O GLU A 75 -20.297 0.994 -8.010 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.326 1.038 -6.928 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.326 0.278 -6.072 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.663 0.096 -6.762 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.535 0.979 -6.612 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.838 -0.927 -7.456 1.00 0.00 O ATOM 0 H GLU A 75 -22.793 2.714 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.587 0.208 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.724 2.030 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.215 0.525 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.915 -0.700 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.475 0.812 -5.133 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.860 3.076 -7.371 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.959 3.720 -8.325 1.00 0.00 C ATOM 1195 C VAL A 76 -18.568 3.953 -7.744 1.00 0.00 C ATOM 1196 O VAL A 76 -17.593 4.070 -8.486 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.525 5.065 -8.819 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.844 4.855 -9.545 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.694 6.039 -7.663 1.00 0.00 C ATOM 0 H VAL A 76 -21.388 3.722 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.874 3.030 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.813 5.497 -9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.228 5.816 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.687 4.201 -10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.564 4.397 -8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.095 6.981 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.382 5.618 -6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.727 6.217 -7.193 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.476 4.019 -6.422 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.197 4.244 -5.757 1.00 0.00 C ATOM 1211 C ILE A 77 -16.367 2.964 -5.703 1.00 0.00 C ATOM 1212 O ILE A 77 -15.137 3.007 -5.751 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.406 4.781 -4.327 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.140 6.122 -4.375 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.075 4.926 -3.602 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.201 6.265 -3.309 1.00 0.00 C ATOM 0 H ILE A 77 -19.270 3.920 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.656 4.988 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.014 4.066 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.415 6.928 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.602 6.240 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.249 5.306 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.585 3.954 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.437 5.621 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.681 7.239 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.947 5.480 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.741 6.179 -2.324 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.048 1.829 -5.608 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.375 0.537 -5.544 1.00 0.00 C ATOM 1230 C ILE A 78 -15.671 0.200 -6.856 1.00 0.00 C ATOM 1231 O ILE A 78 -14.487 -0.139 -6.861 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.369 -0.593 -5.193 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.682 -0.574 -3.694 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -16.821 -1.952 -5.614 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.516 -0.980 -2.818 1.00 0.00 C ATOM 0 H ILE A 78 -18.066 1.776 -5.574 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.625 0.614 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.294 -0.422 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.003 0.429 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.520 -1.243 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.540 -2.730 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.651 -1.958 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.880 -2.141 -5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.817 -0.941 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.208 -1.995 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.683 -0.297 -2.982 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.398 0.294 -7.967 1.00 0.00 N ATOM 1248 CA GLN A 79 -15.846 -0.022 -9.282 1.00 0.00 C ATOM 1249 C GLN A 79 -14.634 0.841 -9.632 1.00 0.00 C ATOM 1250 O GLN A 79 -13.960 0.584 -10.630 1.00 0.00 O ATOM 1251 CB GLN A 79 -16.925 0.144 -10.356 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.511 1.545 -10.421 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.640 1.660 -11.429 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.361 0.696 -11.685 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.798 2.846 -12.006 1.00 0.00 N ATOM 0 H GLN A 79 -17.375 0.588 -7.982 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.509 -1.058 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.500 -0.108 -11.328 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.728 -0.568 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.880 1.827 -9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.724 2.252 -10.681 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.177 3.618 -11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.540 2.985 -12.691 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.352 1.856 -8.822 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.217 2.736 -9.084 1.00 0.00 C ATOM 1266 C ARG A 80 -11.901 2.006 -8.837 1.00 0.00 C ATOM 1267 O ARG A 80 -10.906 2.245 -9.524 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.290 3.985 -8.203 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.573 4.783 -8.374 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.711 5.330 -9.786 1.00 0.00 C ATOM 1271 NE ARG A 80 -13.658 6.288 -10.108 1.00 0.00 N ATOM 1272 CZ ARG A 80 -13.627 7.000 -11.230 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.584 6.856 -12.137 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -12.639 7.857 -11.446 1.00 0.00 N ATOM 0 H ARG A 80 -14.888 2.089 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.260 3.039 -10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.195 3.688 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.440 4.628 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.429 4.149 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.586 5.608 -7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.681 4.506 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.683 5.810 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.903 6.418 -9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.346 6.198 -11.974 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.558 7.404 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.901 7.971 -10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.616 8.403 -12.307 1.00 0.00 H new ATOM 1288 N LEU A 81 -11.904 1.118 -7.848 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.713 0.350 -7.501 1.00 0.00 C ATOM 1290 C LEU A 81 -10.864 -1.106 -7.932 1.00 0.00 C ATOM 1291 O LEU A 81 -9.883 -1.772 -8.263 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.464 0.415 -5.992 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.922 1.708 -5.308 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -10.750 1.602 -3.800 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.153 2.904 -5.847 1.00 0.00 C ATOM 0 H LEU A 81 -12.720 0.912 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.863 0.785 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.972 -0.426 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.397 0.286 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.980 1.854 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.080 2.529 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.347 0.771 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.700 1.430 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.494 3.811 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.088 2.766 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.325 2.994 -6.920 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.102 -1.589 -7.925 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.393 -2.967 -8.306 1.00 0.00 C ATOM 1309 C ASP A 82 -12.237 -3.173 -9.810 1.00 0.00 C ATOM 1310 O ASP A 82 -13.209 -3.107 -10.562 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.809 -3.345 -7.868 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.166 -4.774 -8.223 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.249 -5.619 -8.279 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.365 -5.049 -8.440 1.00 0.00 O ATOM 0 H ASP A 82 -12.923 -1.045 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.675 -3.614 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.901 -3.208 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.523 -2.669 -8.337 1.00 0.00 H new ATOM 1319 N MET A 83 -11.003 -3.421 -10.239 1.00 0.00 N ATOM 1320 CA MET A 83 -10.712 -3.641 -11.652 1.00 0.00 C ATOM 1321 C MET A 83 -11.308 -4.960 -12.136 1.00 0.00 C ATOM 1322 O MET A 83 -11.753 -5.068 -13.280 1.00 0.00 O ATOM 1323 CB MET A 83 -9.200 -3.634 -11.886 1.00 0.00 C ATOM 1324 CG MET A 83 -8.519 -2.366 -11.400 1.00 0.00 C ATOM 1325 SD MET A 83 -9.166 -0.883 -12.194 1.00 0.00 S ATOM 1326 CE MET A 83 -8.213 0.386 -11.364 1.00 0.00 C ATOM 0 H MET A 83 -10.188 -3.475 -9.628 1.00 0.00 H new ATOM 0 HA MET A 83 -11.167 -2.831 -12.221 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.758 -4.492 -11.379 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.004 -3.757 -12.951 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.646 -2.281 -10.321 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.448 -2.438 -11.590 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.499 1.365 -11.747 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.408 0.345 -10.292 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.151 0.221 -11.547 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.317 -5.959 -11.259 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.859 -7.271 -11.603 1.00 0.00 C ATOM 1338 C ASP A 84 -13.370 -7.206 -11.803 1.00 0.00 C ATOM 1339 O ASP A 84 -13.946 -8.014 -12.531 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.523 -8.292 -10.514 1.00 0.00 C ATOM 1341 CG ASP A 84 -10.030 -8.453 -10.310 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -9.386 -9.132 -11.138 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -9.502 -7.899 -9.323 1.00 0.00 O ATOM 0 H ASP A 84 -10.957 -5.887 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.400 -7.585 -12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.983 -7.982 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.956 -9.257 -10.779 1.00 0.00 H new ATOM 1348 N GLY A 85 -14.006 -6.236 -11.153 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.443 -6.075 -11.276 1.00 0.00 C ATOM 1350 C GLY A 85 -16.220 -7.163 -10.561 1.00 0.00 C ATOM 1351 O GLY A 85 -17.330 -7.507 -10.967 1.00 0.00 O ATOM 0 H GLY A 85 -13.551 -5.558 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.731 -5.104 -10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.715 -6.075 -12.332 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.642 -7.703 -9.493 1.00 0.00 N ATOM 1356 CA ASP A 86 -16.294 -8.756 -8.725 1.00 0.00 C ATOM 1357 C ASP A 86 -17.102 -8.169 -7.572 1.00 0.00 C ATOM 1358 O ASP A 86 -17.483 -8.879 -6.641 1.00 0.00 O ATOM 1359 CB ASP A 86 -15.256 -9.747 -8.191 1.00 0.00 C ATOM 1360 CG ASP A 86 -14.266 -9.097 -7.247 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.248 -8.560 -7.732 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.508 -9.124 -6.023 1.00 0.00 O ATOM 0 H ASP A 86 -14.725 -7.429 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.978 -9.285 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.766 -10.560 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.717 -10.191 -9.028 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.359 -6.865 -7.642 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.126 -6.198 -6.605 1.00 0.00 C ATOM 1369 C GLY A 87 -17.339 -5.999 -5.323 1.00 0.00 C ATOM 1370 O GLY A 87 -17.821 -5.361 -4.386 1.00 0.00 O ATOM 0 H GLY A 87 -17.049 -6.258 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.460 -5.228 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.020 -6.782 -6.389 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.126 -6.542 -5.278 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.279 -6.420 -4.098 1.00 0.00 C ATOM 1376 C GLN A 88 -13.865 -5.999 -4.486 1.00 0.00 C ATOM 1377 O GLN A 88 -13.315 -6.474 -5.482 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.244 -7.748 -3.336 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.624 -8.334 -3.082 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.575 -9.773 -2.604 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.625 -10.189 -1.944 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.605 -10.542 -2.938 1.00 0.00 N ATOM 0 H GLN A 88 -15.709 -7.070 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.700 -5.650 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.650 -8.467 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.740 -7.598 -2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.140 -7.727 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.210 -8.281 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.373 -10.156 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.628 -11.519 -2.645 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.280 -5.105 -3.694 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.931 -4.616 -3.955 1.00 0.00 C ATOM 1393 C VAL A 89 -10.899 -5.360 -3.114 1.00 0.00 C ATOM 1394 O VAL A 89 -11.018 -5.439 -1.892 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.817 -3.104 -3.669 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.421 -2.597 -3.997 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.868 -2.330 -4.450 1.00 0.00 C ATOM 0 H VAL A 89 -13.720 -4.704 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.730 -4.797 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.995 -2.944 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.363 -1.529 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.689 -3.126 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.209 -2.772 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.771 -1.266 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.726 -2.499 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.862 -2.670 -4.158 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.887 -5.908 -3.782 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.828 -6.644 -3.100 1.00 0.00 C ATOM 1409 C ASP A 90 -7.693 -5.710 -2.687 1.00 0.00 C ATOM 1410 O ASP A 90 -7.488 -4.663 -3.302 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.290 -7.759 -4.001 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.222 -8.592 -3.319 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.585 -9.483 -2.523 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -6.026 -8.356 -3.585 1.00 0.00 O ATOM 0 H ASP A 90 -9.779 -5.856 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.251 -7.089 -2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.113 -8.406 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.879 -7.320 -4.910 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.962 -6.092 -1.643 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.851 -5.285 -1.144 1.00 0.00 C ATOM 1421 C PHE A 91 -4.883 -4.913 -2.264 1.00 0.00 C ATOM 1422 O PHE A 91 -4.465 -3.761 -2.372 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.103 -6.036 -0.038 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.847 -5.346 0.417 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.896 -4.073 0.963 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.615 -5.970 0.292 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.741 -3.437 1.377 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.457 -5.339 0.704 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.521 -4.071 1.247 1.00 0.00 C ATOM 0 H PHE A 91 -7.119 -6.957 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.268 -4.364 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.768 -6.163 0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.850 -7.034 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.847 -3.572 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.560 -6.961 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.792 -2.445 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.504 -5.836 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.617 -3.575 1.570 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.532 -5.892 -3.090 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.602 -5.674 -4.198 1.00 0.00 C ATOM 1441 C GLU A 92 -4.033 -4.501 -5.078 1.00 0.00 C ATOM 1442 O GLU A 92 -3.294 -3.533 -5.240 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.486 -6.943 -5.044 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.960 -8.142 -4.273 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.864 -9.390 -5.131 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.875 -10.114 -5.241 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.778 -9.641 -5.695 1.00 0.00 O ATOM 0 H GLU A 92 -4.878 -6.849 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.630 -5.430 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.466 -7.187 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.826 -6.747 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.975 -7.906 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.614 -8.339 -3.424 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.224 -4.599 -5.653 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.747 -3.550 -6.527 1.00 0.00 C ATOM 1456 C GLU A 93 -5.653 -2.169 -5.878 1.00 0.00 C ATOM 1457 O GLU A 93 -5.412 -1.170 -6.557 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.203 -3.849 -6.886 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.401 -5.209 -7.535 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.863 -5.600 -7.624 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.511 -5.258 -8.636 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.360 -6.249 -6.680 1.00 0.00 O ATOM 0 H GLU A 93 -5.850 -5.395 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.136 -3.539 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.810 -3.795 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.568 -3.076 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.969 -5.197 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.860 -5.963 -6.964 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.835 -2.122 -4.564 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.794 -0.860 -3.829 1.00 0.00 C ATOM 1471 C PHE A 94 -4.369 -0.485 -3.418 1.00 0.00 C ATOM 1472 O PHE A 94 -4.087 0.680 -3.143 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.693 -0.952 -2.592 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.764 0.320 -1.788 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.129 1.517 -2.384 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.469 0.312 -0.433 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.197 2.683 -1.644 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.537 1.475 0.313 1.00 0.00 C ATOM 1479 CZ PHE A 94 -6.901 2.661 -0.294 1.00 0.00 C ATOM 0 H PHE A 94 -6.013 -2.942 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.160 -0.076 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.700 -1.227 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.329 -1.755 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.363 1.539 -3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.183 -0.613 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.481 3.610 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.306 1.456 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.954 3.571 0.286 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.474 -1.468 -3.384 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.090 -1.220 -2.989 1.00 0.00 C ATOM 1491 C VAL A 95 -1.313 -0.511 -4.095 1.00 0.00 C ATOM 1492 O VAL A 95 -0.380 0.244 -3.823 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.366 -2.530 -2.597 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.720 -3.196 -3.805 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.331 -2.261 -1.518 1.00 0.00 C ATOM 0 H VAL A 95 -3.680 -2.438 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.125 -0.570 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.114 -3.218 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.221 -4.113 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.487 -3.434 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.010 -2.518 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.169 -3.193 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.404 -1.547 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.823 -1.850 -0.636 1.00 0.00 H new ATOM 1505 N THR A 96 -1.702 -0.758 -5.344 1.00 0.00 N ATOM 1506 CA THR A 96 -1.040 -0.144 -6.488 1.00 0.00 C ATOM 1507 C THR A 96 -1.544 1.277 -6.718 1.00 0.00 C ATOM 1508 O THR A 96 -0.762 2.185 -7.004 1.00 0.00 O ATOM 1509 CB THR A 96 -1.258 -0.969 -7.771 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.845 -2.325 -7.557 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.481 -0.377 -8.937 1.00 0.00 C ATOM 0 H THR A 96 -2.473 -1.380 -5.588 1.00 0.00 H new ATOM 0 HA THR A 96 0.025 -0.115 -6.260 1.00 0.00 H new ATOM 0 HB THR A 96 -2.320 -0.945 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.988 -2.844 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.652 -0.978 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.817 0.644 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.583 -0.373 -8.701 1.00 0.00 H new ATOM 1519 N LEU A 97 -2.856 1.462 -6.597 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.469 2.772 -6.793 1.00 0.00 C ATOM 1521 C LEU A 97 -2.826 3.827 -5.896 1.00 0.00 C ATOM 1522 O LEU A 97 -2.707 4.991 -6.280 1.00 0.00 O ATOM 1523 CB LEU A 97 -4.971 2.699 -6.521 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.761 1.816 -7.489 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.182 1.615 -6.989 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.768 2.427 -8.883 1.00 0.00 C ATOM 0 H LEU A 97 -3.516 0.720 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.306 3.065 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.124 2.328 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.381 3.708 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.274 0.842 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.729 0.985 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.159 1.134 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.679 2.582 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.334 1.786 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.231 3.413 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.744 2.520 -9.245 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.411 3.415 -4.700 1.00 0.00 N ATOM 1539 CA LEU A 98 -1.781 4.331 -3.756 1.00 0.00 C ATOM 1540 C LEU A 98 -0.270 4.125 -3.721 1.00 0.00 C ATOM 1541 O LEU A 98 0.471 4.978 -3.232 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.375 4.148 -2.355 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.287 2.730 -1.782 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -0.928 2.485 -1.146 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.399 2.497 -0.769 1.00 0.00 C ATOM 0 H LEU A 98 -2.500 2.456 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.978 5.349 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.867 4.829 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.423 4.446 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.409 2.023 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.891 1.471 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.147 2.608 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.770 3.199 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.323 1.485 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.305 3.215 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.366 2.624 -1.255 1.00 0.00 H new