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 Set 1.1: A 50 ASN : amide:sc= -0.883 K(o=-0.95,f=-6.2!) USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -0.0672 F(o=-2.4!,f=-0.95) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= -1.07 (180deg=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.018) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 170:sc= -0.183 (180deg=-0.489) 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 : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.809 F(o=-1.9!,f=-0.81) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.792 0.551 4.917 1.00 0.00 N ATOM 545 CA LEU A 35 2.147 -0.418 4.038 1.00 0.00 C ATOM 546 C LEU A 35 1.121 -1.236 4.809 1.00 0.00 C ATOM 547 O LEU A 35 -0.013 -1.413 4.363 1.00 0.00 O ATOM 548 CB LEU A 35 3.203 -1.337 3.407 1.00 0.00 C ATOM 549 CG LEU A 35 2.686 -2.404 2.429 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.171 -3.626 3.173 1.00 0.00 C ATOM 551 CD2 LEU A 35 1.605 -1.837 1.521 1.00 0.00 C ATOM 0 HA LEU A 35 1.628 0.119 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.927 -0.714 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.740 -1.842 4.210 1.00 0.00 H new ATOM 0 HG LEU A 35 3.525 -2.714 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.812 -4.364 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.978 -4.058 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.354 -3.333 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.258 -2.614 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.769 -1.485 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.012 -1.005 0.946 1.00 0.00 H new ATOM 563 N GLU A 36 1.527 -1.745 5.966 1.00 0.00 N ATOM 564 CA GLU A 36 0.635 -2.536 6.801 1.00 0.00 C ATOM 565 C GLU A 36 -0.438 -1.650 7.416 1.00 0.00 C ATOM 566 O GLU A 36 -1.423 -2.140 7.965 1.00 0.00 O ATOM 567 CB GLU A 36 1.422 -3.245 7.904 1.00 0.00 C ATOM 568 CG GLU A 36 2.434 -4.251 7.381 1.00 0.00 C ATOM 569 CD GLU A 36 3.184 -4.955 8.495 1.00 0.00 C ATOM 570 OE1 GLU A 36 2.645 -5.940 9.043 1.00 0.00 O ATOM 571 OE2 GLU A 36 4.309 -4.522 8.820 1.00 0.00 O ATOM 0 H GLU A 36 2.466 -1.624 6.346 1.00 0.00 H new ATOM 0 HA GLU A 36 0.156 -3.288 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.942 -2.499 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.723 -3.756 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.921 -4.992 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.147 -3.741 6.734 1.00 0.00 H new ATOM 578 N GLU A 37 -0.240 -0.338 7.313 1.00 0.00 N ATOM 579 CA GLU A 37 -1.186 0.626 7.862 1.00 0.00 C ATOM 580 C GLU A 37 -2.309 0.918 6.872 1.00 0.00 C ATOM 581 O GLU A 37 -3.391 1.355 7.264 1.00 0.00 O ATOM 582 CB GLU A 37 -0.467 1.924 8.235 1.00 0.00 C ATOM 583 CG GLU A 37 -1.354 2.926 8.956 1.00 0.00 C ATOM 584 CD GLU A 37 -0.622 4.206 9.310 1.00 0.00 C ATOM 585 OE1 GLU A 37 -0.580 5.120 8.459 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.093 4.296 10.438 1.00 0.00 O ATOM 0 H GLU A 37 0.569 0.081 6.854 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.625 0.191 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.388 1.687 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.074 2.385 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.212 3.165 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.743 2.471 9.867 1.00 0.00 H new ATOM 593 N ILE A 38 -2.053 0.676 5.587 1.00 0.00 N ATOM 594 CA ILE A 38 -3.058 0.918 4.559 1.00 0.00 C ATOM 595 C ILE A 38 -4.303 0.082 4.826 1.00 0.00 C ATOM 596 O ILE A 38 -5.413 0.608 4.960 1.00 0.00 O ATOM 597 CB ILE A 38 -2.526 0.586 3.151 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.090 1.093 2.997 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.436 1.193 2.090 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.501 0.868 1.619 1.00 0.00 C ATOM 0 H ILE A 38 -1.165 0.316 5.237 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.306 1.979 4.597 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.521 -0.496 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.066 2.159 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.460 0.598 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.051 0.952 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.442 0.786 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.468 2.275 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.518 1.255 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.490 -0.199 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.106 1.387 0.875 1.00 0.00 H new ATOM 612 N ARG A 39 -4.108 -1.230 4.903 1.00 0.00 N ATOM 613 CA ARG A 39 -5.205 -2.145 5.167 1.00 0.00 C ATOM 614 C ARG A 39 -5.820 -1.866 6.531 1.00 0.00 C ATOM 615 O ARG A 39 -7.033 -1.804 6.660 1.00 0.00 O ATOM 616 CB ARG A 39 -4.730 -3.598 5.079 1.00 0.00 C ATOM 617 CG ARG A 39 -3.347 -3.823 5.646 1.00 0.00 C ATOM 618 CD ARG A 39 -2.792 -5.172 5.238 1.00 0.00 C ATOM 619 NE ARG A 39 -3.571 -6.273 5.796 1.00 0.00 N ATOM 620 CZ ARG A 39 -3.468 -7.534 5.388 1.00 0.00 C ATOM 621 NH1 ARG A 39 -2.619 -7.856 4.422 1.00 0.00 N ATOM 622 NH2 ARG A 39 -4.215 -8.476 5.948 1.00 0.00 N ATOM 0 H ARG A 39 -3.200 -1.680 4.786 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.970 -1.988 4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.438 -4.235 5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.740 -3.911 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.679 -3.034 5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.383 -3.757 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.784 -5.247 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.757 -5.254 5.571 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.233 -6.063 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.042 -7.135 3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.543 -8.825 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.869 -8.233 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.136 -9.443 5.635 1.00 0.00 H new ATOM 636 N GLU A 40 -4.986 -1.663 7.545 1.00 0.00 N ATOM 637 CA GLU A 40 -5.489 -1.393 8.891 1.00 0.00 C ATOM 638 C GLU A 40 -6.721 -0.491 8.845 1.00 0.00 C ATOM 639 O GLU A 40 -7.662 -0.675 9.610 1.00 0.00 O ATOM 640 CB GLU A 40 -4.402 -0.744 9.751 1.00 0.00 C ATOM 641 CG GLU A 40 -3.370 -1.729 10.275 1.00 0.00 C ATOM 642 CD GLU A 40 -3.970 -2.760 11.211 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.149 -2.443 12.406 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.259 -3.884 10.749 1.00 0.00 O ATOM 0 H GLU A 40 -3.969 -1.679 7.465 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.773 -2.346 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.895 0.022 9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.872 -0.240 10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.899 -2.238 9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.585 -1.183 10.797 1.00 0.00 H new ATOM 651 N ALA A 41 -6.722 0.461 7.917 1.00 0.00 N ATOM 652 CA ALA A 41 -7.838 1.390 7.774 1.00 0.00 C ATOM 653 C ALA A 41 -9.071 0.729 7.152 1.00 0.00 C ATOM 654 O ALA A 41 -10.055 0.444 7.840 1.00 0.00 O ATOM 655 CB ALA A 41 -7.412 2.589 6.939 1.00 0.00 C ATOM 0 H ALA A 41 -5.962 0.609 7.253 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.118 1.718 8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.251 3.278 6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.582 3.098 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.098 2.251 5.951 1.00 0.00 H new ATOM 661 N PHE A 42 -9.010 0.472 5.850 1.00 0.00 N ATOM 662 CA PHE A 42 -10.142 -0.115 5.134 1.00 0.00 C ATOM 663 C PHE A 42 -10.383 -1.577 5.517 1.00 0.00 C ATOM 664 O PHE A 42 -11.520 -1.987 5.742 1.00 0.00 O ATOM 665 CB PHE A 42 -9.926 0.014 3.626 1.00 0.00 C ATOM 666 CG PHE A 42 -10.274 1.374 3.092 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.562 2.495 3.490 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.321 1.533 2.198 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.886 3.748 3.005 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.651 2.784 1.711 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.933 3.893 2.115 1.00 0.00 C ATOM 0 H PHE A 42 -8.193 0.659 5.269 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.035 0.438 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.883 -0.204 3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.529 -0.736 3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.744 2.388 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.886 0.670 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.322 4.613 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.470 2.894 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.190 4.871 1.736 1.00 0.00 H new ATOM 681 N LYS A 43 -9.310 -2.351 5.582 1.00 0.00 N ATOM 682 CA LYS A 43 -9.388 -3.769 5.928 1.00 0.00 C ATOM 683 C LYS A 43 -10.217 -4.015 7.192 1.00 0.00 C ATOM 684 O LYS A 43 -11.075 -4.896 7.198 1.00 0.00 O ATOM 685 CB LYS A 43 -7.982 -4.346 6.111 1.00 0.00 C ATOM 686 CG LYS A 43 -7.772 -5.711 5.472 1.00 0.00 C ATOM 687 CD LYS A 43 -8.056 -5.700 3.973 1.00 0.00 C ATOM 688 CE LYS A 43 -7.300 -4.597 3.245 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.653 -4.545 1.800 1.00 0.00 N ATOM 0 H LYS A 43 -8.363 -2.019 5.398 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.890 -4.273 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.259 -3.647 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.770 -4.422 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.745 -6.035 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.421 -6.440 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.783 -6.666 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.126 -5.571 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.524 -3.636 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.228 -4.760 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.105 -3.793 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.432 -5.459 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.669 -4.347 1.698 1.00 0.00 H new ATOM 703 N VAL A 44 -9.969 -3.254 8.265 1.00 0.00 N ATOM 704 CA VAL A 44 -10.725 -3.456 9.502 1.00 0.00 C ATOM 705 C VAL A 44 -12.215 -3.210 9.295 1.00 0.00 C ATOM 706 O VAL A 44 -13.045 -3.880 9.909 1.00 0.00 O ATOM 707 CB VAL A 44 -10.226 -2.576 10.663 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.779 -2.900 10.997 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.401 -1.100 10.341 1.00 0.00 C ATOM 0 H VAL A 44 -9.270 -2.512 8.302 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.561 -4.499 9.774 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.831 -2.795 11.543 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.445 -2.268 11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.699 -3.947 11.288 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.154 -2.718 10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.041 -0.500 11.177 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.831 -0.853 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.456 -0.888 10.170 1.00 0.00 H new ATOM 719 N PHE A 45 -12.559 -2.249 8.436 1.00 0.00 N ATOM 720 CA PHE A 45 -13.967 -1.954 8.171 1.00 0.00 C ATOM 721 C PHE A 45 -14.700 -3.205 7.693 1.00 0.00 C ATOM 722 O PHE A 45 -15.928 -3.275 7.746 1.00 0.00 O ATOM 723 CB PHE A 45 -14.110 -0.830 7.142 1.00 0.00 C ATOM 724 CG PHE A 45 -13.878 0.540 7.713 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.704 1.041 8.707 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.835 1.328 7.258 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.493 2.301 9.235 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.617 2.588 7.780 1.00 0.00 C ATOM 729 CZ PHE A 45 -13.448 3.076 8.770 1.00 0.00 C ATOM 0 H PHE A 45 -11.895 -1.671 7.920 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.419 -1.621 9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.404 -1.000 6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.110 -0.870 6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.523 0.439 9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.182 0.952 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -15.144 2.679 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.798 3.191 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 45 -13.281 4.061 9.180 1.00 0.00 H new ATOM 739 N ASP A 46 -13.938 -4.192 7.226 1.00 0.00 N ATOM 740 CA ASP A 46 -14.514 -5.448 6.757 1.00 0.00 C ATOM 741 C ASP A 46 -15.064 -6.242 7.938 1.00 0.00 C ATOM 742 O ASP A 46 -14.306 -6.750 8.765 1.00 0.00 O ATOM 743 CB ASP A 46 -13.462 -6.270 6.008 1.00 0.00 C ATOM 744 CG ASP A 46 -13.964 -7.645 5.614 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.186 -7.797 5.410 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.133 -8.570 5.504 1.00 0.00 O ATOM 0 H ASP A 46 -12.921 -4.145 7.163 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.331 -5.225 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.155 -5.730 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.577 -6.377 6.635 1.00 0.00 H new ATOM 751 N ARG A 47 -16.386 -6.345 8.007 1.00 0.00 N ATOM 752 CA ARG A 47 -17.043 -7.054 9.098 1.00 0.00 C ATOM 753 C ARG A 47 -16.900 -8.569 8.961 1.00 0.00 C ATOM 754 O ARG A 47 -16.816 -9.280 9.962 1.00 0.00 O ATOM 755 CB ARG A 47 -18.520 -6.667 9.154 1.00 0.00 C ATOM 756 CG ARG A 47 -18.752 -5.164 9.081 1.00 0.00 C ATOM 757 CD ARG A 47 -20.159 -4.795 9.523 1.00 0.00 C ATOM 758 NE ARG A 47 -20.416 -5.180 10.907 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.635 -5.292 11.428 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.704 -5.050 10.680 1.00 0.00 N ATOM 761 NH2 ARG A 47 -21.786 -5.648 12.695 1.00 0.00 N ATOM 0 H ARG A 47 -17.025 -5.946 7.319 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.553 -6.762 10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.046 -7.149 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.954 -7.050 10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.025 -4.652 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.588 -4.819 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.303 -3.720 9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.883 -5.282 8.871 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.616 -5.374 11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.592 -4.778 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.638 -5.137 11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.967 -5.837 13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.721 -5.733 13.093 1.00 0.00 H new ATOM 775 N ASP A 48 -16.870 -9.060 7.725 1.00 0.00 N ATOM 776 CA ASP A 48 -16.736 -10.494 7.484 1.00 0.00 C ATOM 777 C ASP A 48 -15.297 -10.956 7.684 1.00 0.00 C ATOM 778 O ASP A 48 -15.026 -12.154 7.770 1.00 0.00 O ATOM 779 CB ASP A 48 -17.196 -10.841 6.067 1.00 0.00 C ATOM 780 CG ASP A 48 -18.584 -10.316 5.761 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.569 -10.993 6.123 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.687 -9.226 5.158 1.00 0.00 O ATOM 0 H ASP A 48 -16.936 -8.491 6.881 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.368 -11.012 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.489 -10.428 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.185 -11.924 5.940 1.00 0.00 H new ATOM 787 N GLY A 49 -14.379 -9.997 7.760 1.00 0.00 N ATOM 788 CA GLY A 49 -12.977 -10.319 7.955 1.00 0.00 C ATOM 789 C GLY A 49 -12.433 -11.258 6.896 1.00 0.00 C ATOM 790 O GLY A 49 -11.393 -11.885 7.093 1.00 0.00 O ATOM 0 H GLY A 49 -14.582 -9.000 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.394 -9.398 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.847 -10.773 8.937 1.00 0.00 H new ATOM 794 N ASN A 50 -13.132 -11.355 5.769 1.00 0.00 N ATOM 795 CA ASN A 50 -12.707 -12.227 4.680 1.00 0.00 C ATOM 796 C ASN A 50 -11.530 -11.621 3.922 1.00 0.00 C ATOM 797 O ASN A 50 -11.007 -12.224 2.986 1.00 0.00 O ATOM 798 CB ASN A 50 -13.869 -12.492 3.716 1.00 0.00 C ATOM 799 CG ASN A 50 -14.489 -11.217 3.173 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.437 -10.164 3.809 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.088 -11.307 1.991 1.00 0.00 N ATOM 0 H ASN A 50 -13.994 -10.841 5.587 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.387 -13.173 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.513 -13.100 2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.635 -13.072 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.527 -10.484 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.109 -12.199 1.496 1.00 0.00 H new ATOM 808 N GLY A 51 -11.115 -10.429 4.337 1.00 0.00 N ATOM 809 CA GLY A 51 -10.004 -9.760 3.685 1.00 0.00 C ATOM 810 C GLY A 51 -10.454 -8.897 2.524 1.00 0.00 C ATOM 811 O GLY A 51 -9.660 -8.150 1.952 1.00 0.00 O ATOM 0 H GLY A 51 -11.529 -9.914 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.478 -9.141 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.294 -10.505 3.327 1.00 0.00 H new ATOM 815 N PHE A 52 -11.733 -9.005 2.172 1.00 0.00 N ATOM 816 CA PHE A 52 -12.294 -8.226 1.073 1.00 0.00 C ATOM 817 C PHE A 52 -13.364 -7.268 1.585 1.00 0.00 C ATOM 818 O PHE A 52 -14.021 -7.538 2.592 1.00 0.00 O ATOM 819 CB PHE A 52 -12.894 -9.151 0.014 1.00 0.00 C ATOM 820 CG PHE A 52 -12.036 -10.343 -0.301 1.00 0.00 C ATOM 821 CD1 PHE A 52 -10.961 -10.233 -1.166 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.309 -11.573 0.272 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.171 -11.330 -1.455 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.525 -12.674 -0.013 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.454 -12.553 -0.877 1.00 0.00 C ATOM 0 H PHE A 52 -12.400 -9.625 2.632 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.488 -7.646 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.869 -9.497 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.060 -8.582 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.737 -9.279 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.144 -11.673 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.334 -11.231 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.749 -13.629 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.839 -13.412 -1.100 1.00 0.00 H new ATOM 835 N ILE A 53 -13.539 -6.153 0.886 1.00 0.00 N ATOM 836 CA ILE A 53 -14.528 -5.157 1.276 1.00 0.00 C ATOM 837 C ILE A 53 -15.601 -4.999 0.203 1.00 0.00 C ATOM 838 O ILE A 53 -15.297 -4.908 -0.985 1.00 0.00 O ATOM 839 CB ILE A 53 -13.868 -3.791 1.547 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.810 -3.927 2.644 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.916 -2.759 1.939 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.882 -2.738 2.736 1.00 0.00 C ATOM 0 H ILE A 53 -13.009 -5.916 0.047 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.995 -5.511 2.195 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.381 -3.451 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.308 -4.064 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.220 -4.825 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.431 -1.801 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.638 -2.648 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.431 -3.088 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.158 -2.902 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.356 -2.613 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.461 -1.840 2.951 1.00 0.00 H new ATOM 854 N SER A 54 -16.857 -4.962 0.636 1.00 0.00 N ATOM 855 CA SER A 54 -17.983 -4.821 -0.281 1.00 0.00 C ATOM 856 C SER A 54 -18.464 -3.376 -0.333 1.00 0.00 C ATOM 857 O SER A 54 -17.894 -2.502 0.315 1.00 0.00 O ATOM 858 CB SER A 54 -19.129 -5.737 0.148 1.00 0.00 C ATOM 859 OG SER A 54 -18.779 -7.101 -0.008 1.00 0.00 O ATOM 0 H SER A 54 -17.121 -5.028 1.619 1.00 0.00 H new ATOM 0 HA SER A 54 -17.649 -5.108 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.385 -5.541 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.016 -5.516 -0.445 1.00 0.00 H new ATOM 0 HG SER A 54 -19.528 -7.665 0.275 1.00 0.00 H new ATOM 865 N LYS A 55 -19.513 -3.130 -1.111 1.00 0.00 N ATOM 866 CA LYS A 55 -20.069 -1.788 -1.240 1.00 0.00 C ATOM 867 C LYS A 55 -20.664 -1.311 0.082 1.00 0.00 C ATOM 868 O LYS A 55 -20.407 -0.188 0.520 1.00 0.00 O ATOM 869 CB LYS A 55 -21.143 -1.767 -2.330 1.00 0.00 C ATOM 870 CG LYS A 55 -20.584 -1.787 -3.745 1.00 0.00 C ATOM 871 CD LYS A 55 -21.667 -2.078 -4.772 1.00 0.00 C ATOM 872 CE LYS A 55 -22.158 -3.515 -4.677 1.00 0.00 C ATOM 873 NZ LYS A 55 -23.228 -3.804 -5.671 1.00 0.00 N ATOM 0 H LYS A 55 -19.995 -3.841 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.260 -1.112 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.799 -2.627 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.757 -0.875 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.120 -0.826 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.802 -2.542 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -22.504 -1.396 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.279 -1.891 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -21.322 -4.196 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.536 -3.704 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.535 -4.793 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -24.037 -3.172 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.861 -3.649 -6.632 1.00 0.00 H new ATOM 887 N GLN A 56 -21.456 -2.171 0.715 1.00 0.00 N ATOM 888 CA GLN A 56 -22.094 -1.837 1.984 1.00 0.00 C ATOM 889 C GLN A 56 -21.056 -1.600 3.077 1.00 0.00 C ATOM 890 O GLN A 56 -21.292 -0.839 4.015 1.00 0.00 O ATOM 891 CB GLN A 56 -23.045 -2.958 2.409 1.00 0.00 C ATOM 892 CG GLN A 56 -24.124 -3.265 1.382 1.00 0.00 C ATOM 893 CD GLN A 56 -25.064 -2.098 1.156 1.00 0.00 C ATOM 894 OE1 GLN A 56 -26.091 -1.976 1.823 1.00 0.00 O ATOM 895 NE2 GLN A 56 -24.717 -1.233 0.210 1.00 0.00 N ATOM 0 H GLN A 56 -21.672 -3.106 0.369 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.660 -0.917 1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.466 -3.862 2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.520 -2.683 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.654 -3.536 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.698 -4.131 1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.856 -1.374 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.311 -0.428 0.012 1.00 0.00 H new ATOM 904 N GLU A 57 -19.907 -2.255 2.947 1.00 0.00 N ATOM 905 CA GLU A 57 -18.836 -2.122 3.927 1.00 0.00 C ATOM 906 C GLU A 57 -18.044 -0.836 3.703 1.00 0.00 C ATOM 907 O GLU A 57 -17.892 -0.021 4.615 1.00 0.00 O ATOM 908 CB GLU A 57 -17.907 -3.335 3.855 1.00 0.00 C ATOM 909 CG GLU A 57 -18.610 -4.650 4.148 1.00 0.00 C ATOM 910 CD GLU A 57 -17.662 -5.833 4.153 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.277 -6.290 3.057 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.308 -6.306 5.253 1.00 0.00 O ATOM 0 H GLU A 57 -19.694 -2.883 2.172 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.284 -2.074 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.461 -3.383 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.091 -3.201 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.107 -4.584 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.387 -4.816 3.402 1.00 0.00 H new ATOM 919 N LEU A 58 -17.541 -0.659 2.486 1.00 0.00 N ATOM 920 CA LEU A 58 -16.770 0.531 2.147 1.00 0.00 C ATOM 921 C LEU A 58 -17.644 1.775 2.249 1.00 0.00 C ATOM 922 O LEU A 58 -17.141 2.892 2.380 1.00 0.00 O ATOM 923 CB LEU A 58 -16.184 0.406 0.738 1.00 0.00 C ATOM 924 CG LEU A 58 -15.251 1.547 0.323 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.052 1.005 -0.438 1.00 0.00 C ATOM 926 CD2 LEU A 58 -16.000 2.567 -0.521 1.00 0.00 C ATOM 0 H LEU A 58 -17.653 -1.323 1.720 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.948 0.624 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.637 -0.534 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.005 0.349 0.023 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.891 2.043 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.400 1.830 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.501 0.311 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.394 0.485 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.322 3.371 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.388 2.083 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.828 2.979 0.056 1.00 0.00 H new ATOM 938 N GLY A 59 -18.957 1.571 2.193 1.00 0.00 N ATOM 939 CA GLY A 59 -19.885 2.681 2.292 1.00 0.00 C ATOM 940 C GLY A 59 -19.871 3.301 3.673 1.00 0.00 C ATOM 941 O GLY A 59 -20.284 4.447 3.855 1.00 0.00 O ATOM 0 H GLY A 59 -19.394 0.656 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.628 3.438 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.892 2.335 2.058 1.00 0.00 H new ATOM 945 N THR A 60 -19.392 2.534 4.649 1.00 0.00 N ATOM 946 CA THR A 60 -19.308 3.004 6.026 1.00 0.00 C ATOM 947 C THR A 60 -17.961 3.671 6.276 1.00 0.00 C ATOM 948 O THR A 60 -17.823 4.509 7.168 1.00 0.00 O ATOM 949 CB THR A 60 -19.495 1.847 7.027 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.703 1.133 6.733 1.00 0.00 O ATOM 951 CG2 THR A 60 -19.545 2.365 8.456 1.00 0.00 C ATOM 0 H THR A 60 -19.055 1.581 4.509 1.00 0.00 H new ATOM 0 HA THR A 60 -20.110 3.727 6.175 1.00 0.00 H new ATOM 0 HB THR A 60 -18.642 1.176 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.813 0.399 7.373 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.678 1.528 9.142 1.00 0.00 H new ATOM 0 HG22 THR A 60 -18.614 2.881 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 60 -20.380 3.058 8.563 1.00 0.00 H new ATOM 959 N ALA A 61 -16.969 3.289 5.478 1.00 0.00 N ATOM 960 CA ALA A 61 -15.627 3.846 5.599 1.00 0.00 C ATOM 961 C ALA A 61 -15.577 5.280 5.079 1.00 0.00 C ATOM 962 O ALA A 61 -14.951 6.148 5.685 1.00 0.00 O ATOM 963 CB ALA A 61 -14.628 2.978 4.847 1.00 0.00 C ATOM 0 H ALA A 61 -17.070 2.594 4.739 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.361 3.861 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.630 3.404 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.635 1.971 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.903 2.936 3.793 1.00 0.00 H new ATOM 969 N MET A 62 -16.241 5.518 3.951 1.00 0.00 N ATOM 970 CA MET A 62 -16.271 6.845 3.343 1.00 0.00 C ATOM 971 C MET A 62 -17.033 7.843 4.211 1.00 0.00 C ATOM 972 O MET A 62 -16.572 8.964 4.429 1.00 0.00 O ATOM 973 CB MET A 62 -16.906 6.775 1.954 1.00 0.00 C ATOM 974 CG MET A 62 -16.075 5.999 0.945 1.00 0.00 C ATOM 975 SD MET A 62 -14.460 6.747 0.655 1.00 0.00 S ATOM 976 CE MET A 62 -13.790 5.632 -0.576 1.00 0.00 C ATOM 0 H MET A 62 -16.766 4.809 3.439 1.00 0.00 H new ATOM 0 HA MET A 62 -15.241 7.192 3.255 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.889 6.312 2.036 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.061 7.788 1.583 1.00 0.00 H new ATOM 0 HG2 MET A 62 -15.940 4.977 1.300 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.618 5.939 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.873 6.054 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 62 -13.571 4.669 -0.114 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.518 5.493 -1.376 1.00 0.00 H new ATOM 986 N ARG A 63 -18.200 7.435 4.703 1.00 0.00 N ATOM 987 CA ARG A 63 -19.020 8.306 5.539 1.00 0.00 C ATOM 988 C ARG A 63 -18.259 8.738 6.788 1.00 0.00 C ATOM 989 O ARG A 63 -18.500 9.816 7.333 1.00 0.00 O ATOM 990 CB ARG A 63 -20.322 7.605 5.933 1.00 0.00 C ATOM 991 CG ARG A 63 -20.126 6.414 6.857 1.00 0.00 C ATOM 992 CD ARG A 63 -21.458 5.859 7.337 1.00 0.00 C ATOM 993 NE ARG A 63 -22.259 6.875 8.014 1.00 0.00 N ATOM 994 CZ ARG A 63 -23.502 6.671 8.438 1.00 0.00 C ATOM 995 NH1 ARG A 63 -24.086 5.494 8.254 1.00 0.00 N ATOM 996 NH2 ARG A 63 -24.164 7.647 9.045 1.00 0.00 N ATOM 0 H ARG A 63 -18.598 6.510 4.538 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.262 9.196 4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.978 8.326 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.831 7.271 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.572 5.634 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.524 6.713 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.015 5.465 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.280 5.025 8.016 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.841 7.792 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.581 4.742 7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.040 5.341 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.719 8.554 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.118 7.491 9.370 1.00 0.00 H new ATOM 1010 N SER A 64 -17.342 7.888 7.241 1.00 0.00 N ATOM 1011 CA SER A 64 -16.542 8.185 8.424 1.00 0.00 C ATOM 1012 C SER A 64 -15.749 9.474 8.232 1.00 0.00 C ATOM 1013 O SER A 64 -15.594 10.263 9.164 1.00 0.00 O ATOM 1014 CB SER A 64 -15.591 7.025 8.727 1.00 0.00 C ATOM 1015 OG SER A 64 -14.795 7.302 9.866 1.00 0.00 O ATOM 0 H SER A 64 -17.135 6.989 6.807 1.00 0.00 H new ATOM 0 HA SER A 64 -17.219 8.318 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.165 6.114 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.948 6.843 7.866 1.00 0.00 H new ATOM 0 HG SER A 64 -14.197 6.545 10.039 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.249 9.680 7.017 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.473 10.876 6.700 1.00 0.00 C ATOM 1023 C LEU A 65 -15.366 12.113 6.685 1.00 0.00 C ATOM 1024 O LEU A 65 -14.882 13.241 6.776 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.785 10.719 5.340 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.116 9.363 5.098 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.437 9.341 3.736 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.114 9.049 6.201 1.00 0.00 C ATOM 0 H LEU A 65 -15.367 9.035 6.236 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.715 11.002 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.524 10.886 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.032 11.500 5.240 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.888 8.594 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.966 8.370 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.179 9.514 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.679 10.123 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.652 8.081 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.345 9.821 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.628 9.020 7.162 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.672 11.890 6.571 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.618 12.991 6.541 1.00 0.00 C ATOM 1042 C GLY A 66 -18.382 13.068 5.233 1.00 0.00 C ATOM 1043 O GLY A 66 -19.070 14.053 4.964 1.00 0.00 O ATOM 0 H GLY A 66 -17.093 10.964 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.324 12.881 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.085 13.928 6.702 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.258 12.025 4.416 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.944 11.976 3.129 1.00 0.00 C ATOM 1049 C TYR A 67 -19.767 10.697 3.004 1.00 0.00 C ATOM 1050 O TYR A 67 -19.269 9.672 2.537 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.931 12.057 1.985 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.929 13.182 2.137 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.217 14.462 1.680 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.695 12.960 2.735 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.302 15.490 1.816 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.776 13.982 2.875 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.084 15.245 2.414 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.172 16.266 2.550 1.00 0.00 O ATOM 0 H TYR A 67 -17.689 11.204 4.623 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.618 12.831 3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.394 11.111 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.468 12.185 1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.170 14.657 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.450 11.972 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.540 16.480 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.821 13.793 3.343 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.366 15.928 2.993 1.00 0.00 H new ATOM 1068 N MET A 68 -21.028 10.764 3.423 1.00 0.00 N ATOM 1069 CA MET A 68 -21.918 9.609 3.365 1.00 0.00 C ATOM 1070 C MET A 68 -22.384 9.339 1.931 1.00 0.00 C ATOM 1071 O MET A 68 -23.134 10.132 1.361 1.00 0.00 O ATOM 1072 CB MET A 68 -23.133 9.828 4.270 1.00 0.00 C ATOM 1073 CG MET A 68 -24.152 8.700 4.207 1.00 0.00 C ATOM 1074 SD MET A 68 -23.454 7.103 4.668 1.00 0.00 S ATOM 1075 CE MET A 68 -24.877 6.036 4.459 1.00 0.00 C ATOM 0 H MET A 68 -21.456 11.607 3.806 1.00 0.00 H new ATOM 0 HA MET A 68 -21.359 8.741 3.714 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.793 9.942 5.299 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.620 10.762 3.990 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.986 8.932 4.870 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.556 8.637 3.197 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.603 5.011 4.707 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.680 6.367 5.118 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.216 6.080 3.424 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.946 8.214 1.329 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.331 7.849 -0.032 1.00 0.00 C ATOM 1087 C PRO A 69 -23.642 7.072 -0.071 1.00 0.00 C ATOM 1088 O PRO A 69 -23.885 6.202 0.765 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.171 6.963 -0.473 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.728 6.275 0.774 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.034 7.212 1.920 1.00 0.00 C ATOM 0 HA PRO A 69 -22.501 8.717 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.486 6.246 -1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.364 7.553 -0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.251 5.327 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.663 6.049 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.504 6.686 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.128 7.677 2.308 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.481 7.396 -1.046 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.769 6.731 -1.201 1.00 0.00 C ATOM 1101 C ASN A 70 -25.583 5.317 -1.732 1.00 0.00 C ATOM 1102 O ASN A 70 -24.484 4.940 -2.139 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.658 7.523 -2.159 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.798 8.976 -1.756 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.974 9.295 -0.581 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.699 9.866 -2.735 1.00 0.00 N ATOM 0 H ASN A 70 -24.293 8.117 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.246 6.680 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.242 7.467 -3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.646 7.063 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.769 10.862 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.553 9.554 -3.695 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.660 4.538 -1.733 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.606 3.171 -2.233 1.00 0.00 C ATOM 1115 C GLU A 71 -26.264 3.171 -3.719 1.00 0.00 C ATOM 1116 O GLU A 71 -25.922 2.137 -4.292 1.00 0.00 O ATOM 1117 CB GLU A 71 -27.941 2.460 -1.999 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.129 3.180 -2.615 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.443 2.481 -2.329 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.065 2.786 -1.290 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -30.851 1.627 -3.146 1.00 0.00 O ATOM 0 H GLU A 71 -27.577 4.829 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.829 2.633 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -27.884 1.452 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.105 2.357 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.172 4.199 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -28.987 3.252 -3.693 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.370 4.344 -4.335 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.066 4.502 -5.751 1.00 0.00 C ATOM 1130 C VAL A 72 -24.599 4.869 -5.949 1.00 0.00 C ATOM 1131 O VAL A 72 -24.006 4.570 -6.986 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.937 5.601 -6.392 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.909 5.492 -7.907 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.364 5.536 -5.867 1.00 0.00 C ATOM 0 H VAL A 72 -26.666 5.203 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.279 3.548 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.522 6.570 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.530 6.276 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.884 5.604 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.293 4.518 -8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.959 6.321 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.795 4.564 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.361 5.677 -4.786 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.023 5.518 -4.941 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.630 5.950 -4.995 1.00 0.00 C ATOM 1146 C GLU A 73 -21.664 4.787 -4.780 1.00 0.00 C ATOM 1147 O GLU A 73 -20.773 4.557 -5.596 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.375 7.031 -3.944 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.221 8.280 -4.137 1.00 0.00 C ATOM 1150 CD GLU A 73 -22.909 8.999 -5.434 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.495 8.629 -6.474 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.078 9.930 -5.412 1.00 0.00 O ATOM 0 H GLU A 73 -24.502 5.757 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.451 6.354 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.573 6.618 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.321 7.309 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.276 8.006 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.056 8.959 -3.300 1.00 0.00 H new ATOM 1159 N LEU A 74 -21.838 4.060 -3.680 1.00 0.00 N ATOM 1160 CA LEU A 74 -20.960 2.934 -3.367 1.00 0.00 C ATOM 1161 C LEU A 74 -20.862 1.953 -4.534 1.00 0.00 C ATOM 1162 O LEU A 74 -19.922 1.162 -4.607 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.438 2.212 -2.102 1.00 0.00 C ATOM 1164 CG LEU A 74 -22.955 2.078 -1.944 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.513 1.056 -2.920 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.306 1.698 -0.514 1.00 0.00 C ATOM 0 H LEU A 74 -22.574 4.228 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.963 3.337 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.001 1.214 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.047 2.742 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.409 3.043 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.592 0.979 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.293 1.370 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.054 0.085 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.388 1.606 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -22.837 0.746 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -22.945 2.469 0.166 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.824 2.016 -5.448 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.834 1.129 -6.607 1.00 0.00 C ATOM 1180 C GLU A 75 -20.855 1.602 -7.677 1.00 0.00 C ATOM 1181 O GLU A 75 -20.229 0.788 -8.358 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.240 1.039 -7.201 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.245 0.347 -6.296 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.604 0.188 -6.949 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.418 1.131 -6.865 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.852 -0.880 -7.547 1.00 0.00 O ATOM 0 H GLU A 75 -22.606 2.670 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.522 0.141 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.596 2.045 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.190 0.504 -8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.862 -0.635 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.353 0.919 -5.375 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.724 2.918 -7.825 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.827 3.484 -8.826 1.00 0.00 C ATOM 1195 C VAL A 76 -18.407 3.643 -8.292 1.00 0.00 C ATOM 1196 O VAL A 76 -17.454 3.740 -9.064 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.335 4.847 -9.340 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.712 4.702 -9.970 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.363 5.873 -8.218 1.00 0.00 C ATOM 0 H VAL A 76 -21.226 3.609 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.811 2.777 -9.655 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.643 5.201 -10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.053 5.674 -10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.657 4.007 -10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.413 4.321 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.725 6.826 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.027 5.528 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.357 6.002 -7.818 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.271 3.678 -6.974 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.962 3.828 -6.348 1.00 0.00 C ATOM 1211 C ILE A 77 -16.215 2.496 -6.271 1.00 0.00 C ATOM 1212 O ILE A 77 -15.017 2.433 -6.545 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.091 4.424 -4.935 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.839 5.756 -4.998 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.718 4.614 -4.307 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.772 5.978 -3.831 1.00 0.00 C ATOM 0 H ILE A 77 -19.048 3.605 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.389 4.511 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.657 3.731 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.114 6.569 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.412 5.799 -5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.830 5.036 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.213 3.651 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.127 5.291 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.269 6.942 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.519 5.185 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.202 5.968 -2.902 1.00 0.00 H new ATOM 1228 N ILE A 78 -16.928 1.436 -5.896 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.328 0.112 -5.772 1.00 0.00 C ATOM 1230 C ILE A 78 -15.878 -0.442 -7.127 1.00 0.00 C ATOM 1231 O ILE A 78 -14.980 -1.281 -7.190 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.305 -0.878 -5.093 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.413 -0.568 -3.596 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -16.872 -2.323 -5.312 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.120 -0.768 -2.832 1.00 0.00 C ATOM 0 H ILE A 78 -17.923 1.470 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.444 0.223 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.286 -0.755 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.741 0.464 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.184 -1.202 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.579 -2.993 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.848 -2.538 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.878 -2.473 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.278 -0.528 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.800 -1.806 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.350 -0.114 -3.242 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.483 0.038 -8.209 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.125 -0.440 -9.542 1.00 0.00 C ATOM 1249 C GLN A 79 -14.862 0.250 -10.046 1.00 0.00 C ATOM 1250 O GLN A 79 -14.284 -0.151 -11.056 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.275 -0.214 -10.527 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.639 1.248 -10.717 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.655 1.455 -11.823 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.933 1.411 -11.468 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -18.294 1.651 -12.984 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.214 0.749 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.931 -1.510 -9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.003 -0.640 -11.493 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.154 -0.755 -10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.038 1.644 -9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.738 1.817 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.300 1.677 -13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.989 1.788 -13.718 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.440 1.291 -9.334 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.243 2.039 -9.704 1.00 0.00 C ATOM 1266 C ARG A 80 -11.984 1.321 -9.233 1.00 0.00 C ATOM 1267 O ARG A 80 -10.925 1.438 -9.849 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.284 3.446 -9.104 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.395 4.322 -9.658 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.185 4.628 -11.133 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.065 5.696 -11.601 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.877 6.361 -12.735 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.859 6.056 -13.528 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.711 7.334 -13.079 1.00 0.00 N ATOM 0 H ARG A 80 -14.910 1.636 -8.497 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.219 2.112 -10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.403 3.366 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.326 3.935 -9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.354 3.823 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.439 5.254 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.147 4.915 -11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.365 3.727 -11.719 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.869 5.945 -11.025 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.216 5.308 -13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.719 6.570 -14.398 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.496 7.571 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.567 7.845 -13.950 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.105 0.579 -8.136 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.971 -0.147 -7.577 1.00 0.00 C ATOM 1290 C LEU A 81 -11.053 -1.635 -7.904 1.00 0.00 C ATOM 1291 O LEU A 81 -10.065 -2.245 -8.314 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.917 0.047 -6.059 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.315 1.441 -5.562 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.167 1.527 -4.051 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.480 2.518 -6.240 1.00 0.00 C ATOM 0 H LEU A 81 -12.976 0.465 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.062 0.253 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.572 -0.688 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.904 -0.167 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.360 1.609 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.453 2.523 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.811 0.785 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.130 1.335 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.781 3.498 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.426 2.355 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.634 2.473 -7.318 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.235 -2.212 -7.717 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.450 -3.632 -7.985 1.00 0.00 C ATOM 1309 C ASP A 82 -12.326 -3.940 -9.476 1.00 0.00 C ATOM 1310 O ASP A 82 -13.322 -3.979 -10.200 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.827 -4.059 -7.470 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.142 -5.508 -7.783 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.201 -6.327 -7.819 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.333 -5.824 -7.985 1.00 0.00 O ATOM 0 H ASP A 82 -13.061 -1.718 -7.380 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.679 -4.197 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.871 -3.906 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.591 -3.421 -7.914 1.00 0.00 H new ATOM 1319 N MET A 83 -11.093 -4.159 -9.924 1.00 0.00 N ATOM 1320 CA MET A 83 -10.827 -4.465 -11.325 1.00 0.00 C ATOM 1321 C MET A 83 -11.316 -5.867 -11.683 1.00 0.00 C ATOM 1322 O MET A 83 -11.744 -6.116 -12.811 1.00 0.00 O ATOM 1323 CB MET A 83 -9.330 -4.352 -11.618 1.00 0.00 C ATOM 1324 CG MET A 83 -8.748 -2.983 -11.307 1.00 0.00 C ATOM 1325 SD MET A 83 -6.975 -2.895 -11.625 1.00 0.00 S ATOM 1326 CE MET A 83 -6.618 -1.218 -11.108 1.00 0.00 C ATOM 0 H MET A 83 -10.261 -4.130 -9.335 1.00 0.00 H new ATOM 0 HA MET A 83 -11.370 -3.742 -11.934 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.797 -5.104 -11.036 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.156 -4.580 -12.670 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.259 -2.230 -11.907 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.938 -2.740 -10.262 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.556 -1.013 -11.245 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.203 -0.520 -11.708 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.878 -1.098 -10.056 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.249 -6.777 -10.716 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.681 -8.155 -10.931 1.00 0.00 C ATOM 1338 C ASP A 84 -13.194 -8.234 -11.111 1.00 0.00 C ATOM 1339 O ASP A 84 -13.710 -9.176 -11.714 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.254 -9.036 -9.755 1.00 0.00 C ATOM 1341 CG ASP A 84 -9.760 -8.984 -9.506 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -9.317 -8.108 -8.733 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -9.032 -9.819 -10.085 1.00 0.00 O ATOM 0 H ASP A 84 -10.900 -6.586 -9.777 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.205 -8.516 -11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.781 -8.717 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.551 -10.066 -9.950 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.896 -7.236 -10.585 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.342 -7.201 -10.695 1.00 0.00 C ATOM 1350 C GLY A 85 -16.017 -8.277 -9.868 1.00 0.00 C ATOM 1351 O GLY A 85 -17.040 -8.827 -10.273 1.00 0.00 O ATOM 0 H GLY A 85 -13.487 -6.448 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.703 -6.223 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.626 -7.320 -11.741 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.447 -8.575 -8.704 1.00 0.00 N ATOM 1356 CA ASP A 86 -16.004 -9.593 -7.819 1.00 0.00 C ATOM 1357 C ASP A 86 -16.847 -8.956 -6.719 1.00 0.00 C ATOM 1358 O ASP A 86 -17.148 -9.589 -5.707 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.884 -10.432 -7.202 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.924 -9.599 -6.377 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.004 -8.996 -6.967 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.091 -9.551 -5.141 1.00 0.00 O ATOM 0 H ASP A 86 -14.601 -8.127 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.647 -10.242 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.320 -11.208 -6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.333 -10.937 -7.995 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.224 -7.697 -6.926 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.030 -6.990 -5.948 1.00 0.00 C ATOM 1369 C GLY A 87 -17.248 -6.615 -4.703 1.00 0.00 C ATOM 1370 O GLY A 87 -17.803 -6.040 -3.767 1.00 0.00 O ATOM 0 H GLY A 87 -16.985 -7.154 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.435 -6.086 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.879 -7.613 -5.665 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.957 -6.939 -4.692 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.103 -6.629 -3.550 1.00 0.00 C ATOM 1376 C GLN A 88 -13.716 -6.191 -4.013 1.00 0.00 C ATOM 1377 O GLN A 88 -13.236 -6.621 -5.064 1.00 0.00 O ATOM 1378 CB GLN A 88 -14.987 -7.843 -2.624 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.324 -8.343 -2.100 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.199 -9.621 -1.293 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.230 -10.457 -1.651 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.967 -9.860 -0.362 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.481 -7.415 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.560 -5.807 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.492 -8.652 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.349 -7.584 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.778 -7.570 -1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.997 -8.514 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.698 -9.191 -0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.873 -10.727 0.167 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.077 -5.335 -3.222 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.747 -4.836 -3.550 1.00 0.00 C ATOM 1393 C VAL A 89 -10.679 -5.497 -2.683 1.00 0.00 C ATOM 1394 O VAL A 89 -10.813 -5.565 -1.460 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.664 -3.307 -3.374 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.306 -2.788 -3.821 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.784 -2.619 -4.140 1.00 0.00 C ATOM 0 H VAL A 89 -13.459 -4.972 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.564 -5.086 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.783 -3.076 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.268 -1.707 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.523 -3.254 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.152 -3.030 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.709 -1.540 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.700 -2.858 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.747 -2.966 -3.766 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.621 -5.983 -3.325 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.526 -6.636 -2.616 1.00 0.00 C ATOM 1409 C ASP A 90 -7.477 -5.617 -2.178 1.00 0.00 C ATOM 1410 O ASP A 90 -7.379 -4.532 -2.751 1.00 0.00 O ATOM 1411 CB ASP A 90 -7.884 -7.706 -3.503 1.00 0.00 C ATOM 1412 CG ASP A 90 -6.759 -8.443 -2.802 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.048 -9.408 -2.065 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.587 -8.053 -2.992 1.00 0.00 O ATOM 0 H ASP A 90 -9.499 -5.937 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.934 -7.113 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.646 -8.422 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.499 -7.239 -4.409 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.700 -5.973 -1.157 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.663 -5.088 -0.633 1.00 0.00 C ATOM 1421 C PHE A 91 -4.753 -4.567 -1.745 1.00 0.00 C ATOM 1422 O PHE A 91 -4.583 -3.359 -1.895 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.835 -5.819 0.431 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.720 -4.994 1.012 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.976 -3.748 1.561 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.419 -5.470 1.017 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.955 -2.991 2.101 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.393 -4.717 1.558 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.662 -3.475 2.100 1.00 0.00 C ATOM 0 H PHE A 91 -6.770 -6.870 -0.676 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.156 -4.229 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.497 -6.136 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.413 -6.723 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.986 -3.364 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.204 -6.440 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.168 -2.020 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.383 -5.099 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.863 -2.884 2.522 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.183 -5.485 -2.527 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.279 -5.121 -3.620 1.00 0.00 C ATOM 1441 C GLU A 92 -3.856 -4.000 -4.483 1.00 0.00 C ATOM 1442 O GLU A 92 -3.251 -2.939 -4.623 1.00 0.00 O ATOM 1443 CB GLU A 92 -2.978 -6.343 -4.490 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.243 -7.451 -3.752 1.00 0.00 C ATOM 1445 CD GLU A 92 -1.894 -8.619 -4.654 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -2.759 -9.499 -4.848 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -0.754 -8.655 -5.165 1.00 0.00 O ATOM 0 H GLU A 92 -4.332 -6.489 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.354 -4.758 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.915 -6.739 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.381 -6.030 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.329 -7.048 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.861 -7.805 -2.927 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.020 -4.242 -5.072 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.669 -3.245 -5.921 1.00 0.00 C ATOM 1456 C GLU A 93 -5.757 -1.889 -5.221 1.00 0.00 C ATOM 1457 O GLU A 93 -5.814 -0.845 -5.874 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.071 -3.720 -6.307 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.084 -5.072 -7.001 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.480 -5.650 -7.126 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.162 -5.348 -8.127 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -8.890 -6.408 -6.223 1.00 0.00 O ATOM 0 H GLU A 93 -5.535 -5.117 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.064 -3.124 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.687 -3.775 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.529 -2.980 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.647 -4.971 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.455 -5.768 -6.445 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.755 -1.910 -3.891 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.852 -0.686 -3.102 1.00 0.00 C ATOM 1471 C PHE A 94 -4.476 -0.095 -2.783 1.00 0.00 C ATOM 1472 O PHE A 94 -4.357 1.109 -2.561 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.617 -0.960 -1.803 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.921 0.275 -0.999 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.590 1.346 -1.572 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.542 0.361 0.332 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.873 2.479 -0.833 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.824 1.493 1.076 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.491 2.552 0.492 1.00 0.00 C ATOM 0 H PHE A 94 -5.687 -2.763 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.393 0.047 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.553 -1.463 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.035 -1.647 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.893 1.294 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.021 -0.465 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.393 3.307 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.523 1.548 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.714 3.436 1.071 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.440 -0.934 -2.760 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.094 -0.456 -2.451 1.00 0.00 C ATOM 1491 C VAL A 95 -1.504 0.356 -3.603 1.00 0.00 C ATOM 1492 O VAL A 95 -0.752 1.305 -3.376 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.123 -1.608 -2.088 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.795 -2.607 -1.163 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.589 -2.305 -3.333 1.00 0.00 C ATOM 0 H VAL A 95 -3.505 -1.934 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.203 0.187 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.274 -1.168 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.095 -3.407 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.102 -2.104 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.671 -3.028 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.088 -3.107 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.420 -2.722 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.052 -1.585 -3.951 1.00 0.00 H new ATOM 1505 N THR A 96 -1.842 -0.014 -4.836 1.00 0.00 N ATOM 1506 CA THR A 96 -1.328 0.687 -6.009 1.00 0.00 C ATOM 1507 C THR A 96 -2.092 1.982 -6.266 1.00 0.00 C ATOM 1508 O THR A 96 -1.489 3.035 -6.479 1.00 0.00 O ATOM 1509 CB THR A 96 -1.402 -0.196 -7.270 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.750 -1.449 -7.032 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.752 0.498 -8.459 1.00 0.00 C ATOM 0 H THR A 96 -2.467 -0.792 -5.048 1.00 0.00 H new ATOM 0 HA THR A 96 -0.285 0.923 -5.797 1.00 0.00 H new ATOM 0 HB THR A 96 -2.453 -0.370 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.804 -2.004 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.817 -0.146 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.268 1.437 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.295 0.700 -8.234 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.420 1.902 -6.248 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.257 3.073 -6.491 1.00 0.00 C ATOM 1521 C LEU A 97 -4.040 4.138 -5.419 1.00 0.00 C ATOM 1522 O LEU A 97 -4.299 5.320 -5.644 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.734 2.672 -6.543 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.095 1.672 -7.645 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.538 1.218 -7.502 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.862 2.284 -9.019 1.00 0.00 C ATOM 0 H LEU A 97 -3.938 1.042 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.970 3.496 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.013 2.245 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.335 3.571 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.449 0.800 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.776 0.508 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.674 0.739 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.200 2.081 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.124 1.559 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.483 3.173 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.812 2.559 -9.122 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.564 3.711 -4.253 1.00 0.00 N ATOM 1539 CA LEU A 98 -3.310 4.631 -3.148 1.00 0.00 C ATOM 1540 C LEU A 98 -1.828 4.991 -3.077 1.00 0.00 C ATOM 1541 O LEU A 98 -1.447 5.973 -2.441 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.770 4.010 -1.825 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.573 4.887 -0.584 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.737 4.716 0.378 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -2.261 4.545 0.108 1.00 0.00 C ATOM 0 H LEU A 98 -3.347 2.736 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.878 5.545 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.828 3.761 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.232 3.074 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.536 5.929 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.581 5.346 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.664 5.006 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.802 3.673 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.138 5.178 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.272 3.498 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.432 4.714 -0.580 1.00 0.00 H new