USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 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+ -136:sc=-0.00131 (180deg=-0.207) USER MOD Single : A 50 ASN : amide:sc= -0.332 K(o=-0.33,f=-5!) USER MOD Single : A 54 SER OG : rot -75:sc= 0.539 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0361 (180deg=-0.345) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0616 F(o=-0.96,f=-0.062) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -177:sc= 0 (180deg=-0.0114) 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 161:sc= -0.104 (180deg=-0.531) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -1.71 F(o=-2.3!,f=-1.7) USER MOD Single : A 83 MET CE :methyl -146:sc= 0 (180deg=-1.35) USER MOD Single : A 88 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.968 0.863 5.142 1.00 0.00 N ATOM 545 CA LEU A 35 2.126 -0.129 4.479 1.00 0.00 C ATOM 546 C LEU A 35 1.110 -0.709 5.458 1.00 0.00 C ATOM 547 O LEU A 35 0.008 -1.096 5.069 1.00 0.00 O ATOM 548 CB LEU A 35 2.978 -1.256 3.895 1.00 0.00 C ATOM 549 CG LEU A 35 2.229 -2.205 2.959 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.184 -1.639 1.548 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.873 -3.581 2.965 1.00 0.00 C ATOM 0 HA LEU A 35 1.594 0.369 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.814 -0.816 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.401 -1.836 4.715 1.00 0.00 H new ATOM 0 HG LEU A 35 1.205 -2.306 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.647 -2.328 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.673 -0.676 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.200 -1.506 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.326 -4.242 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.908 -3.500 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.849 -3.990 3.975 1.00 0.00 H new ATOM 563 N GLU A 36 1.493 -0.770 6.731 1.00 0.00 N ATOM 564 CA GLU A 36 0.618 -1.301 7.770 1.00 0.00 C ATOM 565 C GLU A 36 -0.638 -0.449 7.914 1.00 0.00 C ATOM 566 O GLU A 36 -1.722 -0.965 8.185 1.00 0.00 O ATOM 567 CB GLU A 36 1.358 -1.365 9.109 1.00 0.00 C ATOM 568 CG GLU A 36 2.590 -2.257 9.084 1.00 0.00 C ATOM 569 CD GLU A 36 3.304 -2.301 10.421 1.00 0.00 C ATOM 570 OE1 GLU A 36 4.169 -1.432 10.660 1.00 0.00 O ATOM 571 OE2 GLU A 36 2.999 -3.203 11.228 1.00 0.00 O ATOM 0 H GLU A 36 2.404 -0.458 7.067 1.00 0.00 H new ATOM 0 HA GLU A 36 0.322 -2.308 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.656 -0.357 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.673 -1.727 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.297 -3.267 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.279 -1.898 8.320 1.00 0.00 H new ATOM 578 N GLU A 37 -0.485 0.860 7.730 1.00 0.00 N ATOM 579 CA GLU A 37 -1.608 1.785 7.838 1.00 0.00 C ATOM 580 C GLU A 37 -2.649 1.500 6.760 1.00 0.00 C ATOM 581 O GLU A 37 -3.825 1.831 6.916 1.00 0.00 O ATOM 582 CB GLU A 37 -1.118 3.231 7.726 1.00 0.00 C ATOM 583 CG GLU A 37 -2.208 4.267 7.955 1.00 0.00 C ATOM 584 CD GLU A 37 -2.803 4.191 9.347 1.00 0.00 C ATOM 585 OE1 GLU A 37 -2.246 4.828 10.267 1.00 0.00 O ATOM 586 OE2 GLU A 37 -3.828 3.498 9.518 1.00 0.00 O ATOM 0 H GLU A 37 0.406 1.303 7.505 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.073 1.644 8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.319 3.391 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.687 3.383 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.796 5.263 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.999 4.126 7.218 1.00 0.00 H new ATOM 593 N ILE A 38 -2.209 0.879 5.670 1.00 0.00 N ATOM 594 CA ILE A 38 -3.103 0.546 4.567 1.00 0.00 C ATOM 595 C ILE A 38 -4.108 -0.524 4.977 1.00 0.00 C ATOM 596 O ILE A 38 -5.316 -0.353 4.804 1.00 0.00 O ATOM 597 CB ILE A 38 -2.319 0.058 3.331 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.365 1.152 2.845 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.277 -0.353 2.219 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.485 0.725 1.689 1.00 0.00 C ATOM 0 H ILE A 38 -1.239 0.596 5.527 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.637 1.460 4.308 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.730 -0.815 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.948 2.022 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.732 1.465 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.707 -0.694 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.919 -1.160 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.891 0.501 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.163 1.552 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.126 -0.126 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.109 0.441 0.842 1.00 0.00 H new ATOM 612 N ARG A 39 -3.605 -1.628 5.525 1.00 0.00 N ATOM 613 CA ARG A 39 -4.466 -2.723 5.952 1.00 0.00 C ATOM 614 C ARG A 39 -5.434 -2.274 7.041 1.00 0.00 C ATOM 615 O ARG A 39 -6.625 -2.133 6.794 1.00 0.00 O ATOM 616 CB ARG A 39 -3.635 -3.905 6.457 1.00 0.00 C ATOM 617 CG ARG A 39 -2.829 -4.596 5.370 1.00 0.00 C ATOM 618 CD ARG A 39 -1.408 -4.063 5.301 1.00 0.00 C ATOM 619 NE ARG A 39 -0.665 -4.334 6.530 1.00 0.00 N ATOM 620 CZ ARG A 39 0.595 -4.757 6.555 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.257 -4.951 5.421 1.00 0.00 N ATOM 622 NH2 ARG A 39 1.195 -4.987 7.715 1.00 0.00 N ATOM 0 H ARG A 39 -2.610 -1.786 5.682 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.043 -3.040 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.955 -3.554 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.300 -4.633 6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.807 -5.669 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.319 -4.453 4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.890 -4.517 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.432 -2.988 5.120 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.141 -4.190 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.799 -4.775 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.224 -5.276 5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.690 -4.839 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.162 -5.312 7.734 1.00 0.00 H new ATOM 636 N GLU A 40 -4.905 -2.018 8.234 1.00 0.00 N ATOM 637 CA GLU A 40 -5.724 -1.601 9.375 1.00 0.00 C ATOM 638 C GLU A 40 -6.839 -0.638 8.969 1.00 0.00 C ATOM 639 O GLU A 40 -7.908 -0.629 9.573 1.00 0.00 O ATOM 640 CB GLU A 40 -4.844 -0.947 10.442 1.00 0.00 C ATOM 641 CG GLU A 40 -3.828 -1.894 11.060 1.00 0.00 C ATOM 642 CD GLU A 40 -4.478 -3.058 11.782 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.855 -2.890 12.961 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.609 -4.137 11.168 1.00 0.00 O ATOM 0 H GLU A 40 -3.909 -2.092 8.439 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.194 -2.498 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.317 -0.102 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.481 -0.547 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.172 -2.277 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.201 -1.342 11.760 1.00 0.00 H new ATOM 651 N ALA A 41 -6.594 0.157 7.936 1.00 0.00 N ATOM 652 CA ALA A 41 -7.578 1.127 7.472 1.00 0.00 C ATOM 653 C ALA A 41 -8.842 0.463 6.919 1.00 0.00 C ATOM 654 O ALA A 41 -9.837 0.295 7.631 1.00 0.00 O ATOM 655 CB ALA A 41 -6.961 2.040 6.422 1.00 0.00 C ATOM 0 H ALA A 41 -5.724 0.150 7.404 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.879 1.717 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.706 2.760 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.113 2.571 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.622 1.443 5.575 1.00 0.00 H new ATOM 661 N PHE A 42 -8.796 0.067 5.651 1.00 0.00 N ATOM 662 CA PHE A 42 -9.954 -0.535 5.001 1.00 0.00 C ATOM 663 C PHE A 42 -10.169 -1.993 5.400 1.00 0.00 C ATOM 664 O PHE A 42 -11.280 -2.511 5.281 1.00 0.00 O ATOM 665 CB PHE A 42 -9.823 -0.403 3.484 1.00 0.00 C ATOM 666 CG PHE A 42 -10.219 0.953 2.974 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.360 2.033 3.093 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.457 1.148 2.383 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.728 3.283 2.630 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.831 2.395 1.919 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.965 3.464 2.043 1.00 0.00 C ATOM 0 H PHE A 42 -7.972 0.152 5.055 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.835 0.008 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.792 -0.606 3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.443 -1.160 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.392 1.897 3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.138 0.316 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.049 4.117 2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.799 2.533 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.255 4.440 1.682 1.00 0.00 H new ATOM 681 N LYS A 43 -9.123 -2.654 5.877 1.00 0.00 N ATOM 682 CA LYS A 43 -9.239 -4.051 6.284 1.00 0.00 C ATOM 683 C LYS A 43 -10.210 -4.200 7.453 1.00 0.00 C ATOM 684 O LYS A 43 -10.991 -5.152 7.495 1.00 0.00 O ATOM 685 CB LYS A 43 -7.874 -4.627 6.664 1.00 0.00 C ATOM 686 CG LYS A 43 -7.693 -6.080 6.262 1.00 0.00 C ATOM 687 CD LYS A 43 -6.637 -6.228 5.176 1.00 0.00 C ATOM 688 CE LYS A 43 -7.027 -5.493 3.901 1.00 0.00 C ATOM 689 NZ LYS A 43 -8.269 -6.047 3.294 1.00 0.00 N ATOM 0 H LYS A 43 -8.193 -2.252 5.992 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.628 -4.610 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.093 -4.029 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.739 -4.538 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.405 -6.667 7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.642 -6.482 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.685 -5.842 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.489 -7.285 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.172 -4.436 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.211 -5.559 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.142 -6.139 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.468 -6.982 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.066 -5.407 3.488 1.00 0.00 H new ATOM 703 N VAL A 44 -10.164 -3.264 8.404 1.00 0.00 N ATOM 704 CA VAL A 44 -11.058 -3.327 9.555 1.00 0.00 C ATOM 705 C VAL A 44 -12.492 -2.984 9.161 1.00 0.00 C ATOM 706 O VAL A 44 -13.438 -3.530 9.728 1.00 0.00 O ATOM 707 CB VAL A 44 -10.612 -2.400 10.703 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.194 -2.736 11.141 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.727 -0.939 10.299 1.00 0.00 C ATOM 0 H VAL A 44 -9.527 -2.467 8.399 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.014 -4.356 9.913 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.277 -2.563 11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.897 -2.071 11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.155 -3.769 11.486 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.513 -2.608 10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.406 -0.306 11.127 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.094 -0.750 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.763 -0.711 10.049 1.00 0.00 H new ATOM 719 N PHE A 45 -12.655 -2.080 8.192 1.00 0.00 N ATOM 720 CA PHE A 45 -13.995 -1.706 7.742 1.00 0.00 C ATOM 721 C PHE A 45 -14.712 -2.920 7.169 1.00 0.00 C ATOM 722 O PHE A 45 -15.936 -2.929 7.039 1.00 0.00 O ATOM 723 CB PHE A 45 -13.941 -0.581 6.702 1.00 0.00 C ATOM 724 CG PHE A 45 -13.470 0.736 7.257 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.024 1.253 8.419 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.475 1.455 6.617 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.592 2.462 8.930 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.040 2.666 7.123 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.599 3.169 8.281 1.00 0.00 C ATOM 0 H PHE A 45 -11.892 -1.602 7.713 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.550 -1.337 8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.278 -0.881 5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.933 -0.449 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.802 0.705 8.930 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.033 1.065 5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.030 2.854 9.836 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.264 3.218 6.613 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.260 4.114 8.679 1.00 0.00 H new ATOM 739 N ASP A 46 -13.937 -3.944 6.827 1.00 0.00 N ATOM 740 CA ASP A 46 -14.495 -5.175 6.286 1.00 0.00 C ATOM 741 C ASP A 46 -15.176 -5.962 7.399 1.00 0.00 C ATOM 742 O ASP A 46 -14.541 -6.754 8.095 1.00 0.00 O ATOM 743 CB ASP A 46 -13.399 -6.018 5.632 1.00 0.00 C ATOM 744 CG ASP A 46 -13.964 -7.139 4.784 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.823 -6.854 3.925 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.544 -8.299 4.974 1.00 0.00 O ATOM 0 H ASP A 46 -12.921 -3.944 6.915 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.233 -4.924 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.772 -5.377 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.757 -6.439 6.406 1.00 0.00 H new ATOM 751 N ARG A 47 -16.473 -5.723 7.563 1.00 0.00 N ATOM 752 CA ARG A 47 -17.264 -6.381 8.598 1.00 0.00 C ATOM 753 C ARG A 47 -17.087 -7.899 8.578 1.00 0.00 C ATOM 754 O ARG A 47 -17.004 -8.531 9.631 1.00 0.00 O ATOM 755 CB ARG A 47 -18.742 -6.026 8.429 1.00 0.00 C ATOM 756 CG ARG A 47 -18.991 -4.538 8.251 1.00 0.00 C ATOM 757 CD ARG A 47 -20.479 -4.221 8.241 1.00 0.00 C ATOM 758 NE ARG A 47 -21.177 -4.913 7.159 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.488 -4.820 6.948 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.241 -4.068 7.740 1.00 0.00 N ATOM 761 NH2 ARG A 47 -23.048 -5.482 5.945 1.00 0.00 N ATOM 0 H ARG A 47 -17.004 -5.071 6.985 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.906 -6.022 9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.139 -6.559 7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.294 -6.377 9.301 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.506 -3.987 9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.539 -4.201 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.917 -4.507 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.620 -3.145 8.135 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.629 -5.500 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.816 -3.558 8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.245 -4.000 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.474 -6.063 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.053 -5.410 5.784 1.00 0.00 H new ATOM 775 N ASP A 48 -17.032 -8.482 7.382 1.00 0.00 N ATOM 776 CA ASP A 48 -16.874 -9.929 7.250 1.00 0.00 C ATOM 777 C ASP A 48 -15.430 -10.361 7.491 1.00 0.00 C ATOM 778 O ASP A 48 -15.164 -11.526 7.789 1.00 0.00 O ATOM 779 CB ASP A 48 -17.327 -10.387 5.863 1.00 0.00 C ATOM 780 CG ASP A 48 -18.753 -9.977 5.554 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.683 -10.703 5.964 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.940 -8.926 4.904 1.00 0.00 O ATOM 0 H ASP A 48 -17.094 -7.979 6.497 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.499 -10.399 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.660 -9.968 5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.241 -11.472 5.796 1.00 0.00 H new ATOM 787 N GLY A 49 -14.503 -9.417 7.360 1.00 0.00 N ATOM 788 CA GLY A 49 -13.096 -9.717 7.577 1.00 0.00 C ATOM 789 C GLY A 49 -12.572 -10.801 6.653 1.00 0.00 C ATOM 790 O GLY A 49 -11.485 -11.334 6.872 1.00 0.00 O ATOM 0 H GLY A 49 -14.700 -8.449 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.510 -8.809 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.952 -10.028 8.612 1.00 0.00 H new ATOM 794 N ASN A 50 -13.340 -11.124 5.616 1.00 0.00 N ATOM 795 CA ASN A 50 -12.941 -12.153 4.660 1.00 0.00 C ATOM 796 C ASN A 50 -11.765 -11.687 3.805 1.00 0.00 C ATOM 797 O ASN A 50 -11.258 -12.437 2.971 1.00 0.00 O ATOM 798 CB ASN A 50 -14.121 -12.539 3.764 1.00 0.00 C ATOM 799 CG ASN A 50 -14.877 -11.330 3.249 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.309 -10.251 3.087 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.168 -11.507 2.989 1.00 0.00 N ATOM 0 H ASN A 50 -14.241 -10.689 5.416 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.625 -13.029 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.756 -13.123 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.803 -13.180 4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.729 -10.730 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.598 -12.420 3.138 1.00 0.00 H new ATOM 808 N GLY A 51 -11.337 -10.446 4.017 1.00 0.00 N ATOM 809 CA GLY A 51 -10.223 -9.904 3.260 1.00 0.00 C ATOM 810 C GLY A 51 -10.673 -9.053 2.090 1.00 0.00 C ATOM 811 O GLY A 51 -9.914 -8.219 1.594 1.00 0.00 O ATOM 0 H GLY A 51 -11.742 -9.806 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.597 -9.305 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.605 -10.723 2.892 1.00 0.00 H new ATOM 815 N PHE A 52 -11.909 -9.262 1.648 1.00 0.00 N ATOM 816 CA PHE A 52 -12.457 -8.507 0.526 1.00 0.00 C ATOM 817 C PHE A 52 -13.582 -7.590 0.997 1.00 0.00 C ATOM 818 O PHE A 52 -14.510 -8.032 1.673 1.00 0.00 O ATOM 819 CB PHE A 52 -12.980 -9.463 -0.549 1.00 0.00 C ATOM 820 CG PHE A 52 -12.171 -10.723 -0.677 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.048 -10.767 -1.489 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.537 -11.865 0.017 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.307 -11.928 -1.604 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.801 -13.027 -0.095 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.684 -13.060 -0.906 1.00 0.00 C ATOM 0 H PHE A 52 -12.550 -9.947 2.049 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.661 -7.895 0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.013 -9.726 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.989 -8.947 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.749 -9.886 -2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.409 -11.846 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.434 -11.951 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.098 -13.910 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.106 -13.968 -0.995 1.00 0.00 H new ATOM 835 N ILE A 53 -13.501 -6.316 0.627 1.00 0.00 N ATOM 836 CA ILE A 53 -14.510 -5.342 1.026 1.00 0.00 C ATOM 837 C ILE A 53 -15.578 -5.173 -0.052 1.00 0.00 C ATOM 838 O ILE A 53 -15.277 -5.175 -1.246 1.00 0.00 O ATOM 839 CB ILE A 53 -13.871 -3.973 1.334 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.827 -4.113 2.444 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.938 -2.963 1.730 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.733 -3.077 2.368 1.00 0.00 C ATOM 0 H ILE A 53 -12.749 -5.935 0.053 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.982 -5.725 1.931 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.374 -3.611 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.323 -4.037 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.382 -5.106 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.469 -2.003 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.649 -2.845 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.462 -3.316 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.027 -3.233 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.212 -3.167 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.168 -2.081 2.451 1.00 0.00 H new ATOM 854 N SER A 54 -16.825 -5.027 0.384 1.00 0.00 N ATOM 855 CA SER A 54 -17.949 -4.861 -0.532 1.00 0.00 C ATOM 856 C SER A 54 -18.410 -3.408 -0.578 1.00 0.00 C ATOM 857 O SER A 54 -17.827 -2.543 0.075 1.00 0.00 O ATOM 858 CB SER A 54 -19.112 -5.760 -0.111 1.00 0.00 C ATOM 859 OG SER A 54 -19.480 -5.520 1.236 1.00 0.00 O ATOM 0 H SER A 54 -17.084 -5.020 1.371 1.00 0.00 H new ATOM 0 HA SER A 54 -17.615 -5.148 -1.529 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.968 -5.582 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.830 -6.806 -0.234 1.00 0.00 H new ATOM 0 HG SER A 54 -18.818 -5.927 1.833 1.00 0.00 H new ATOM 865 N LYS A 55 -19.456 -3.145 -1.355 1.00 0.00 N ATOM 866 CA LYS A 55 -19.999 -1.797 -1.485 1.00 0.00 C ATOM 867 C LYS A 55 -20.587 -1.306 -0.165 1.00 0.00 C ATOM 868 O LYS A 55 -20.274 -0.205 0.292 1.00 0.00 O ATOM 869 CB LYS A 55 -21.072 -1.771 -2.575 1.00 0.00 C ATOM 870 CG LYS A 55 -20.513 -1.883 -3.986 1.00 0.00 C ATOM 871 CD LYS A 55 -21.573 -2.336 -4.977 1.00 0.00 C ATOM 872 CE LYS A 55 -21.973 -3.786 -4.748 1.00 0.00 C ATOM 873 NZ LYS A 55 -20.827 -4.717 -4.948 1.00 0.00 N ATOM 0 H LYS A 55 -19.946 -3.850 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.183 -1.129 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.771 -2.590 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.640 -0.845 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.113 -0.918 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.683 -2.589 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -22.452 -1.697 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.196 -2.218 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.361 -3.900 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.780 -4.052 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.185 -5.684 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.285 -4.425 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.210 -4.693 -4.111 1.00 0.00 H new ATOM 887 N GLN A 56 -21.438 -2.127 0.441 1.00 0.00 N ATOM 888 CA GLN A 56 -22.077 -1.773 1.705 1.00 0.00 C ATOM 889 C GLN A 56 -21.039 -1.525 2.793 1.00 0.00 C ATOM 890 O GLN A 56 -21.241 -0.696 3.682 1.00 0.00 O ATOM 891 CB GLN A 56 -23.036 -2.883 2.144 1.00 0.00 C ATOM 892 CG GLN A 56 -24.480 -2.423 2.273 1.00 0.00 C ATOM 893 CD GLN A 56 -25.045 -1.888 0.970 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.574 -2.426 -0.150 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -25.901 -1.003 0.970 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.702 -3.043 0.078 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.640 -0.853 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.987 -3.700 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.703 -3.281 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -25.093 -3.257 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.543 -1.648 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.235 -0.617 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.276 -0.656 0.087 1.00 0.00 H new ATOM 904 N GLU A 57 -19.927 -2.247 2.717 1.00 0.00 N ATOM 905 CA GLU A 57 -18.851 -2.107 3.693 1.00 0.00 C ATOM 906 C GLU A 57 -18.061 -0.822 3.453 1.00 0.00 C ATOM 907 O GLU A 57 -17.795 -0.057 4.385 1.00 0.00 O ATOM 908 CB GLU A 57 -17.924 -3.322 3.624 1.00 0.00 C ATOM 909 CG GLU A 57 -18.587 -4.615 4.068 1.00 0.00 C ATOM 910 CD GLU A 57 -17.660 -5.812 3.977 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.430 -6.301 2.852 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.166 -6.262 5.032 1.00 0.00 O ATOM 0 H GLU A 57 -19.746 -2.937 1.988 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.292 -2.051 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.566 -3.439 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.050 -3.138 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.933 -4.506 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.468 -4.796 3.453 1.00 0.00 H new ATOM 919 N LEU A 58 -17.692 -0.586 2.199 1.00 0.00 N ATOM 920 CA LEU A 58 -16.937 0.607 1.840 1.00 0.00 C ATOM 921 C LEU A 58 -17.750 1.860 2.146 1.00 0.00 C ATOM 922 O LEU A 58 -17.201 2.956 2.260 1.00 0.00 O ATOM 923 CB LEU A 58 -16.562 0.578 0.358 1.00 0.00 C ATOM 924 CG LEU A 58 -15.484 1.581 -0.055 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.139 0.886 -0.205 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.873 2.284 -1.345 1.00 0.00 C ATOM 0 H LEU A 58 -17.903 -1.204 1.416 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.022 0.625 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.220 -0.425 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.459 0.767 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.395 2.333 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.384 1.615 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.856 0.433 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.213 0.112 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.093 2.993 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.992 1.547 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.813 2.816 -1.200 1.00 0.00 H new ATOM 938 N GLY A 59 -19.064 1.687 2.273 1.00 0.00 N ATOM 939 CA GLY A 59 -19.936 2.807 2.570 1.00 0.00 C ATOM 940 C GLY A 59 -19.742 3.310 3.985 1.00 0.00 C ATOM 941 O GLY A 59 -20.094 4.447 4.304 1.00 0.00 O ATOM 0 H GLY A 59 -19.539 0.790 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.741 3.616 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.974 2.506 2.430 1.00 0.00 H new ATOM 945 N THR A 60 -19.177 2.458 4.834 1.00 0.00 N ATOM 946 CA THR A 60 -18.919 2.812 6.222 1.00 0.00 C ATOM 947 C THR A 60 -17.588 3.543 6.336 1.00 0.00 C ATOM 948 O THR A 60 -17.379 4.346 7.245 1.00 0.00 O ATOM 949 CB THR A 60 -18.894 1.566 7.127 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.073 0.780 6.915 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.803 1.962 8.593 1.00 0.00 C ATOM 0 H THR A 60 -18.888 1.513 4.582 1.00 0.00 H new ATOM 0 HA THR A 60 -19.729 3.462 6.553 1.00 0.00 H new ATOM 0 HB THR A 60 -18.013 0.978 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.047 -0.011 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.787 1.065 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.890 2.534 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.667 2.571 8.860 1.00 0.00 H new ATOM 959 N ALA A 61 -16.688 3.248 5.403 1.00 0.00 N ATOM 960 CA ALA A 61 -15.373 3.881 5.380 1.00 0.00 C ATOM 961 C ALA A 61 -15.474 5.352 4.988 1.00 0.00 C ATOM 962 O ALA A 61 -14.842 6.213 5.602 1.00 0.00 O ATOM 963 CB ALA A 61 -14.453 3.143 4.418 1.00 0.00 C ATOM 0 H ALA A 61 -16.845 2.575 4.653 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.955 3.829 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.475 3.624 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.345 2.107 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.879 3.169 3.415 1.00 0.00 H new ATOM 969 N MET A 62 -16.272 5.633 3.962 1.00 0.00 N ATOM 970 CA MET A 62 -16.454 6.999 3.479 1.00 0.00 C ATOM 971 C MET A 62 -17.153 7.877 4.515 1.00 0.00 C ATOM 972 O MET A 62 -16.696 8.983 4.807 1.00 0.00 O ATOM 973 CB MET A 62 -17.252 7.000 2.174 1.00 0.00 C ATOM 974 CG MET A 62 -16.494 6.410 0.996 1.00 0.00 C ATOM 975 SD MET A 62 -14.988 7.325 0.611 1.00 0.00 S ATOM 976 CE MET A 62 -14.417 6.446 -0.841 1.00 0.00 C ATOM 0 H MET A 62 -16.804 4.931 3.448 1.00 0.00 H new ATOM 0 HA MET A 62 -15.463 7.416 3.298 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.173 6.437 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.539 8.024 1.934 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.239 5.373 1.216 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.142 6.400 0.120 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.463 6.862 -1.166 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.290 5.391 -0.601 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.150 6.550 -1.641 1.00 0.00 H new ATOM 986 N ARG A 63 -18.261 7.386 5.067 1.00 0.00 N ATOM 987 CA ARG A 63 -19.016 8.144 6.063 1.00 0.00 C ATOM 988 C ARG A 63 -18.130 8.539 7.239 1.00 0.00 C ATOM 989 O ARG A 63 -18.329 9.587 7.854 1.00 0.00 O ATOM 990 CB ARG A 63 -20.221 7.340 6.561 1.00 0.00 C ATOM 991 CG ARG A 63 -19.846 6.080 7.321 1.00 0.00 C ATOM 992 CD ARG A 63 -21.076 5.377 7.872 1.00 0.00 C ATOM 993 NE ARG A 63 -21.813 6.220 8.810 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.650 5.747 9.729 1.00 0.00 C ATOM 995 NH1 ARG A 63 -22.858 4.441 9.834 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.279 6.582 10.544 1.00 0.00 N ATOM 0 H ARG A 63 -18.654 6.472 4.843 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.377 9.053 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.828 7.975 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.842 7.067 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.304 5.403 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.173 6.334 8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.731 5.093 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.774 4.456 8.372 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.678 7.230 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.375 3.796 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.501 4.082 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.121 7.587 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.921 6.220 11.249 1.00 0.00 H new ATOM 1010 N SER A 64 -17.156 7.689 7.551 1.00 0.00 N ATOM 1011 CA SER A 64 -16.233 7.956 8.648 1.00 0.00 C ATOM 1012 C SER A 64 -15.533 9.296 8.446 1.00 0.00 C ATOM 1013 O SER A 64 -15.300 10.038 9.400 1.00 0.00 O ATOM 1014 CB SER A 64 -15.198 6.836 8.757 1.00 0.00 C ATOM 1015 OG SER A 64 -14.296 7.075 9.823 1.00 0.00 O ATOM 0 H SER A 64 -16.986 6.811 7.060 1.00 0.00 H new ATOM 0 HA SER A 64 -16.806 7.998 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.704 5.883 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.646 6.755 7.821 1.00 0.00 H new ATOM 0 HG SER A 64 -13.646 6.343 9.872 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.200 9.595 7.193 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.531 10.845 6.854 1.00 0.00 C ATOM 1023 C LEU A 65 -15.530 11.998 6.798 1.00 0.00 C ATOM 1024 O LEU A 65 -15.152 13.166 6.893 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.815 10.712 5.506 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.966 9.448 5.342 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.351 9.396 3.952 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.881 9.387 6.407 1.00 0.00 C ATOM 0 H LEU A 65 -15.384 8.987 6.395 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.797 11.060 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.562 10.735 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.174 11.582 5.366 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.616 8.581 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.751 8.491 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.143 9.390 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.717 10.270 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.289 8.481 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.234 10.260 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.341 9.376 7.395 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.808 11.660 6.644 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.846 12.673 6.574 1.00 0.00 C ATOM 1042 C GLY A 66 -18.573 12.667 5.244 1.00 0.00 C ATOM 1043 O GLY A 66 -19.223 13.648 4.879 1.00 0.00 O ATOM 0 H GLY A 66 -17.143 10.700 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.564 12.509 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.403 13.655 6.738 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.463 11.558 4.520 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.114 11.421 3.219 1.00 0.00 C ATOM 1049 C TYR A 67 -20.074 10.237 3.217 1.00 0.00 C ATOM 1050 O TYR A 67 -19.649 9.082 3.191 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.065 11.246 2.120 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.066 12.378 2.057 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.314 13.506 1.287 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.875 12.318 2.769 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.404 14.544 1.230 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.959 13.351 2.716 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.229 14.462 1.946 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.320 15.494 1.892 1.00 0.00 O ATOM 0 H TYR A 67 -17.929 10.739 4.811 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.685 12.329 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.532 10.309 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.569 11.162 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.233 13.573 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.661 11.449 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.612 15.416 0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.037 13.288 3.275 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.547 15.279 2.454 1.00 0.00 H new ATOM 1068 N MET A 68 -21.370 10.535 3.243 1.00 0.00 N ATOM 1069 CA MET A 68 -22.396 9.498 3.253 1.00 0.00 C ATOM 1070 C MET A 68 -22.825 9.131 1.828 1.00 0.00 C ATOM 1071 O MET A 68 -23.510 9.910 1.166 1.00 0.00 O ATOM 1072 CB MET A 68 -23.609 9.972 4.055 1.00 0.00 C ATOM 1073 CG MET A 68 -23.253 10.490 5.440 1.00 0.00 C ATOM 1074 SD MET A 68 -24.702 10.966 6.401 1.00 0.00 S ATOM 1075 CE MET A 68 -25.486 9.374 6.641 1.00 0.00 C ATOM 0 H MET A 68 -21.734 11.488 3.258 1.00 0.00 H new ATOM 0 HA MET A 68 -21.975 8.609 3.722 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.117 10.761 3.500 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.315 9.147 4.154 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.701 9.721 5.980 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.589 11.349 5.342 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.185 9.435 7.475 1.00 0.00 H new ATOM 0 HE2 MET A 68 -26.024 9.093 5.736 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.726 8.623 6.859 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.429 7.938 1.335 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.780 7.487 -0.009 1.00 0.00 C ATOM 1087 C PRO A 69 -24.137 6.790 -0.055 1.00 0.00 C ATOM 1088 O PRO A 69 -24.460 5.978 0.812 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.663 6.500 -0.328 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.308 5.895 0.989 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.603 6.938 2.042 1.00 0.00 C ATOM 0 HA PRO A 69 -22.867 8.312 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.995 5.741 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.806 7.002 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.889 4.990 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.256 5.609 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.136 6.509 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.687 7.381 2.432 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.929 7.115 -1.074 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.249 6.517 -1.238 1.00 0.00 C ATOM 1101 C ASN A 70 -26.141 5.118 -1.837 1.00 0.00 C ATOM 1102 O ASN A 70 -25.046 4.663 -2.167 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.128 7.402 -2.123 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.338 8.781 -1.528 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.467 9.719 -1.885 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -28.274 9.002 -0.758 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.679 7.789 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.709 6.435 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.669 7.499 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -28.095 6.920 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -28.919 8.252 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -28.404 9.935 -0.368 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.277 4.444 -1.982 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.299 3.093 -2.536 1.00 0.00 C ATOM 1115 C GLU A 71 -26.726 3.066 -3.953 1.00 0.00 C ATOM 1116 O GLU A 71 -26.143 2.068 -4.376 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.727 2.540 -2.539 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.706 3.379 -3.343 1.00 0.00 C ATOM 1119 CD GLU A 71 -31.079 2.743 -3.434 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.900 2.967 -2.519 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.332 2.018 -4.420 1.00 0.00 O ATOM 0 H GLU A 71 -28.194 4.810 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.674 2.463 -1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.714 1.527 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.082 2.469 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.795 4.364 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.311 3.528 -4.348 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.894 4.167 -4.679 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.396 4.262 -6.047 1.00 0.00 C ATOM 1130 C VAL A 72 -24.970 4.807 -6.084 1.00 0.00 C ATOM 1131 O VAL A 72 -24.247 4.617 -7.063 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.308 5.159 -6.912 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.290 6.593 -6.404 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -26.893 5.097 -8.375 1.00 0.00 C ATOM 0 H VAL A 72 -27.370 5.004 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.398 3.252 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.329 4.785 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.939 7.208 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.646 6.619 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.272 6.981 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -27.549 5.736 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -25.864 5.441 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.969 4.070 -8.732 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.570 5.479 -5.009 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.233 6.058 -4.922 1.00 0.00 C ATOM 1146 C GLU A 73 -22.173 4.989 -4.664 1.00 0.00 C ATOM 1147 O GLU A 73 -21.143 4.952 -5.335 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.185 7.117 -3.821 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.132 8.283 -4.054 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.837 9.024 -5.343 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -24.385 8.631 -6.394 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.057 9.999 -5.301 1.00 0.00 O ATOM 0 H GLU A 73 -25.152 5.636 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.012 6.525 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.428 6.648 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.167 7.498 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.158 7.914 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.062 8.977 -3.216 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.429 4.121 -3.691 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.482 3.063 -3.348 1.00 0.00 C ATOM 1161 C LEU A 74 -21.246 2.117 -4.526 1.00 0.00 C ATOM 1162 O LEU A 74 -20.301 1.328 -4.517 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.971 2.280 -2.122 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.457 1.908 -2.123 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.729 0.760 -3.083 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.911 1.545 -0.717 1.00 0.00 C ATOM 0 H LEU A 74 -23.279 4.128 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.531 3.537 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.386 1.364 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.763 2.871 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.026 2.774 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.791 0.515 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.441 1.054 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.150 -0.112 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.969 1.283 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.332 0.695 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.758 2.397 -0.054 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.106 2.202 -5.537 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.986 1.349 -6.716 1.00 0.00 C ATOM 1180 C GLU A 75 -20.993 1.916 -7.727 1.00 0.00 C ATOM 1181 O GLU A 75 -20.384 1.167 -8.492 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.351 1.168 -7.384 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.352 0.408 -6.532 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.651 0.138 -7.265 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.541 1.014 -7.240 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.778 -0.949 -7.867 1.00 0.00 O ATOM 0 H GLU A 75 -22.892 2.851 -5.564 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.612 0.382 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.762 2.149 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.216 0.640 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.912 -0.539 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.561 0.978 -5.627 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.829 3.236 -7.733 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.916 3.879 -8.672 1.00 0.00 C ATOM 1195 C VAL A 76 -18.502 3.992 -8.108 1.00 0.00 C ATOM 1196 O VAL A 76 -17.543 4.178 -8.854 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.413 5.280 -9.089 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.817 5.197 -9.667 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.373 6.245 -7.913 1.00 0.00 C ATOM 0 H VAL A 76 -21.312 3.877 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.891 3.238 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.744 5.662 -9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.151 6.194 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.812 4.548 -10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.496 4.790 -8.918 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.728 7.224 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.013 5.871 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.350 6.332 -7.548 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.381 3.891 -6.791 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.082 3.985 -6.135 1.00 0.00 C ATOM 1211 C ILE A 77 -16.316 2.663 -6.194 1.00 0.00 C ATOM 1212 O ILE A 77 -15.128 2.638 -6.515 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.239 4.415 -4.664 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.978 5.751 -4.586 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.880 4.514 -3.988 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.967 5.828 -3.445 1.00 0.00 C ATOM 0 H ILE A 77 -19.165 3.744 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.511 4.739 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.824 3.660 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.249 6.554 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.505 5.921 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.011 4.819 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.385 3.543 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.268 5.251 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.454 6.803 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.718 5.047 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.443 5.690 -2.499 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.004 1.567 -5.882 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.387 0.243 -5.882 1.00 0.00 C ATOM 1230 C ILE A 78 -15.989 -0.208 -7.291 1.00 0.00 C ATOM 1231 O ILE A 78 -15.161 -1.105 -7.450 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.331 -0.802 -5.238 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.390 -0.593 -3.720 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -16.896 -2.228 -5.564 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.081 -0.870 -3.009 1.00 0.00 C ATOM 0 H ILE A 78 -17.991 1.570 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.476 0.317 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.327 -0.659 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.692 0.434 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.162 -1.241 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.582 -2.934 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.907 -2.374 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.888 -2.396 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.205 -0.700 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.786 -1.905 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.309 -0.204 -3.395 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.550 0.431 -8.314 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.235 0.060 -9.691 1.00 0.00 C ATOM 1249 C GLN A 79 -14.965 0.761 -10.163 1.00 0.00 C ATOM 1250 O GLN A 79 -14.431 0.452 -11.230 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.399 0.398 -10.627 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.633 1.888 -10.804 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.616 2.196 -11.917 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.318 3.316 -11.794 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -18.739 1.438 -12.879 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.216 1.198 -8.219 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.070 -1.017 -9.717 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.209 -0.049 -11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.309 -0.059 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.005 2.307 -9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.683 2.378 -11.017 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.179 0.587 -12.933 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.401 1.661 -13.622 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.487 1.709 -9.362 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.279 2.458 -9.692 1.00 0.00 C ATOM 1266 C ARG A 80 -12.028 1.673 -9.310 1.00 0.00 C ATOM 1267 O ARG A 80 -10.986 1.799 -9.954 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.280 3.808 -8.972 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.530 4.635 -9.227 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.603 5.110 -10.669 1.00 0.00 C ATOM 1271 NE ARG A 80 -13.491 5.994 -11.011 1.00 0.00 N ATOM 1272 CZ ARG A 80 -13.514 6.849 -12.029 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.585 6.931 -12.808 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -12.465 7.623 -12.270 1.00 0.00 N ATOM 0 H ARG A 80 -14.919 1.977 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.269 2.624 -10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.180 3.638 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.407 4.379 -9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.414 4.041 -8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.540 5.496 -8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.599 4.248 -11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.545 5.633 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.649 5.953 -10.436 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.394 6.337 -12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.599 7.588 -13.588 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.639 7.563 -11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.484 8.279 -13.051 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.139 0.867 -8.258 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.014 0.070 -7.784 1.00 0.00 C ATOM 1290 C LEU A 81 -11.108 -1.373 -8.272 1.00 0.00 C ATOM 1291 O LEU A 81 -10.102 -1.977 -8.647 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.951 0.092 -6.254 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.673 1.461 -5.628 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.921 2.332 -5.650 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.161 1.301 -4.205 1.00 0.00 C ATOM 0 H LEU A 81 -12.996 0.749 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.104 0.512 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.897 -0.282 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.175 -0.601 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.904 1.955 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.698 3.299 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.245 2.478 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.715 1.844 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.968 2.284 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.909 0.783 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.238 0.722 -4.213 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.319 -1.920 -8.264 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.539 -3.295 -8.699 1.00 0.00 C ATOM 1309 C ASP A 82 -12.394 -3.420 -10.215 1.00 0.00 C ATOM 1310 O ASP A 82 -13.383 -3.399 -10.948 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.924 -3.771 -8.262 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.080 -5.274 -8.360 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.120 -5.946 -8.796 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.160 -5.782 -7.998 1.00 0.00 O ATOM 0 H ASP A 82 -13.163 -1.433 -7.961 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.782 -3.925 -8.231 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.105 -3.457 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.682 -3.290 -8.880 1.00 0.00 H new ATOM 1319 N MET A 83 -11.153 -3.548 -10.675 1.00 0.00 N ATOM 1320 CA MET A 83 -10.869 -3.670 -12.102 1.00 0.00 C ATOM 1321 C MET A 83 -11.518 -4.919 -12.702 1.00 0.00 C ATOM 1322 O MET A 83 -12.163 -4.849 -13.748 1.00 0.00 O ATOM 1323 CB MET A 83 -9.357 -3.695 -12.343 1.00 0.00 C ATOM 1324 CG MET A 83 -8.637 -4.827 -11.628 1.00 0.00 C ATOM 1325 SD MET A 83 -6.865 -4.849 -11.968 1.00 0.00 S ATOM 1326 CE MET A 83 -6.379 -6.359 -11.136 1.00 0.00 C ATOM 0 H MET A 83 -10.326 -3.570 -10.079 1.00 0.00 H new ATOM 0 HA MET A 83 -11.297 -2.800 -12.599 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.171 -3.779 -13.414 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.932 -2.745 -12.019 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.796 -4.732 -10.554 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.073 -5.779 -11.932 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.377 -6.241 -10.724 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.080 -6.572 -10.329 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.384 -7.184 -11.848 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.344 -6.058 -12.037 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.909 -7.316 -12.518 1.00 0.00 C ATOM 1338 C ASP A 84 -13.427 -7.338 -12.361 1.00 0.00 C ATOM 1339 O ASP A 84 -14.130 -8.010 -13.116 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.282 -8.499 -11.779 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.492 -8.425 -10.281 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.991 -7.466 -9.657 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -12.152 -9.329 -9.731 1.00 0.00 O ATOM 0 H ASP A 84 -10.818 -6.136 -11.166 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.680 -7.401 -13.580 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.710 -9.427 -12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.213 -8.531 -11.992 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.925 -6.600 -11.372 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.357 -6.534 -11.139 1.00 0.00 C ATOM 1350 C GLY A 85 -15.904 -7.741 -10.398 1.00 0.00 C ATOM 1351 O GLY A 85 -16.936 -8.291 -10.779 1.00 0.00 O ATOM 0 H GLY A 85 -13.361 -6.046 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.584 -5.633 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.870 -6.442 -12.097 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.219 -8.152 -9.334 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.659 -9.297 -8.542 1.00 0.00 C ATOM 1357 C ASP A 86 -16.618 -8.856 -7.441 1.00 0.00 C ATOM 1358 O ASP A 86 -16.955 -9.633 -6.549 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.460 -10.018 -7.924 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.706 -9.148 -6.938 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.821 -8.383 -7.375 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.001 -9.230 -5.727 1.00 0.00 O ATOM 0 H ASP A 86 -14.361 -7.712 -9.002 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.180 -9.984 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.804 -10.921 -7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.782 -10.335 -8.717 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.052 -7.602 -7.514 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.964 -7.072 -6.519 1.00 0.00 C ATOM 1369 C GLY A 87 -17.249 -6.630 -5.256 1.00 0.00 C ATOM 1370 O GLY A 87 -17.826 -5.937 -4.419 1.00 0.00 O ATOM 0 H GLY A 87 -16.787 -6.943 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.506 -6.226 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.704 -7.832 -6.267 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.989 -7.033 -5.122 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.191 -6.678 -3.954 1.00 0.00 C ATOM 1376 C GLN A 88 -13.803 -6.196 -4.369 1.00 0.00 C ATOM 1377 O GLN A 88 -13.305 -6.552 -5.437 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.069 -7.879 -3.015 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.410 -8.415 -2.542 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.283 -9.726 -1.791 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.396 -10.532 -2.070 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.172 -9.944 -0.831 1.00 0.00 N ATOM 0 H GLN A 88 -15.499 -7.606 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.695 -5.865 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.527 -8.676 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.474 -7.593 -2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.885 -7.676 -1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.065 -8.555 -3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.891 -9.248 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.137 -10.808 -0.290 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.185 -5.381 -3.517 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.856 -4.849 -3.798 1.00 0.00 C ATOM 1393 C VAL A 89 -10.776 -5.667 -3.095 1.00 0.00 C ATOM 1394 O VAL A 89 -10.850 -5.904 -1.889 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.736 -3.376 -3.361 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.377 -2.809 -3.746 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.859 -2.549 -3.967 1.00 0.00 C ATOM 0 H VAL A 89 -13.583 -5.076 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.711 -4.913 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.825 -3.330 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.314 -1.768 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.591 -3.386 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.252 -2.866 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.759 -1.511 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.804 -2.602 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.820 -2.940 -3.633 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.774 -6.092 -3.861 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.676 -6.885 -3.318 1.00 0.00 C ATOM 1409 C ASP A 90 -7.560 -5.991 -2.786 1.00 0.00 C ATOM 1410 O ASP A 90 -7.349 -4.884 -3.282 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.122 -7.828 -4.386 1.00 0.00 C ATOM 1412 CG ASP A 90 -6.982 -8.684 -3.868 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.261 -9.729 -3.243 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.811 -8.307 -4.086 1.00 0.00 O ATOM 0 H ASP A 90 -9.701 -5.900 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.068 -7.474 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.922 -8.474 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.775 -7.243 -5.238 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.853 -6.479 -1.772 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.756 -5.737 -1.158 1.00 0.00 C ATOM 1421 C PHE A 91 -4.791 -5.183 -2.207 1.00 0.00 C ATOM 1422 O PHE A 91 -4.525 -3.982 -2.240 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.005 -6.640 -0.174 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.850 -5.970 0.522 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.010 -4.742 1.145 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.606 -6.579 0.559 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.951 -4.135 1.792 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.543 -5.975 1.204 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.715 -4.753 1.821 1.00 0.00 C ATOM 0 H PHE A 91 -7.022 -7.394 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.182 -4.889 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.707 -7.002 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.634 -7.513 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.973 -4.254 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.465 -7.536 0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.089 -3.179 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.578 -6.460 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.885 -4.280 2.326 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.276 -6.064 -3.062 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.331 -5.665 -4.104 1.00 0.00 C ATOM 1441 C GLU A 92 -3.881 -4.520 -4.953 1.00 0.00 C ATOM 1442 O GLU A 92 -3.224 -3.496 -5.133 1.00 0.00 O ATOM 1443 CB GLU A 92 -2.994 -6.860 -4.998 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.393 -8.032 -4.243 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.050 -9.198 -5.151 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -0.934 -9.207 -5.712 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -2.899 -10.103 -5.300 1.00 0.00 O ATOM 0 H GLU A 92 -4.497 -7.060 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.424 -5.314 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.900 -7.191 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.295 -6.540 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.492 -7.702 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.095 -8.366 -3.479 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.082 -4.699 -5.489 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.707 -3.670 -6.315 1.00 0.00 C ATOM 1456 C GLU A 93 -5.762 -2.330 -5.583 1.00 0.00 C ATOM 1457 O GLU A 93 -5.839 -1.273 -6.210 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.121 -4.101 -6.712 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.154 -5.317 -7.621 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.559 -5.841 -7.841 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.359 -5.140 -8.496 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -8.860 -6.954 -7.360 1.00 0.00 O ATOM 0 H GLU A 93 -5.642 -5.543 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.100 -3.545 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.693 -4.317 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.618 -3.270 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.711 -5.059 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.539 -6.106 -7.189 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.707 -2.380 -4.257 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.774 -1.174 -3.440 1.00 0.00 C ATOM 1471 C PHE A 94 -4.389 -0.586 -3.168 1.00 0.00 C ATOM 1472 O PHE A 94 -4.205 0.630 -3.229 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.482 -1.480 -2.118 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.731 -0.267 -1.267 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.440 0.814 -1.767 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.260 -0.210 0.036 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.672 1.929 -0.985 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.490 0.903 0.821 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.197 1.973 0.311 1.00 0.00 C ATOM 0 H PHE A 94 -5.616 -3.245 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.341 -0.429 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.435 -1.964 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.882 -2.192 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.815 0.784 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.707 -1.045 0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.224 2.766 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.117 0.936 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.378 2.843 0.924 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.417 -1.448 -2.874 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.062 -0.994 -2.573 1.00 0.00 C ATOM 1491 C VAL A 95 -1.461 -0.185 -3.717 1.00 0.00 C ATOM 1492 O VAL A 95 -0.666 0.727 -3.487 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.117 -2.168 -2.245 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.624 -2.941 -1.044 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.944 -3.085 -3.444 1.00 0.00 C ATOM 0 H VAL A 95 -3.542 -2.460 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.155 -0.355 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.139 -1.754 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.944 -3.765 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.676 -2.278 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.617 -3.336 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.273 -3.903 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.913 -3.490 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.522 -2.521 -4.276 1.00 0.00 H new ATOM 1505 N THR A 96 -1.836 -0.517 -4.948 1.00 0.00 N ATOM 1506 CA THR A 96 -1.312 0.181 -6.117 1.00 0.00 C ATOM 1507 C THR A 96 -2.064 1.481 -6.381 1.00 0.00 C ATOM 1508 O THR A 96 -1.453 2.518 -6.641 1.00 0.00 O ATOM 1509 CB THR A 96 -1.382 -0.706 -7.375 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.711 -1.949 -7.136 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.752 -0.005 -8.569 1.00 0.00 C ATOM 0 H THR A 96 -2.499 -1.262 -5.162 1.00 0.00 H new ATOM 0 HA THR A 96 -0.270 0.415 -5.899 1.00 0.00 H new ATOM 0 HB THR A 96 -2.431 -0.897 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.761 -2.508 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.814 -0.651 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.284 0.926 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.294 0.214 -8.352 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.391 1.421 -6.317 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.220 2.599 -6.559 1.00 0.00 C ATOM 1521 C LEU A 97 -3.894 3.721 -5.578 1.00 0.00 C ATOM 1522 O LEU A 97 -4.090 4.897 -5.884 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.702 2.236 -6.466 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.234 1.383 -7.618 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.668 0.961 -7.350 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.142 2.144 -8.933 1.00 0.00 C ATOM 0 H LEU A 97 -3.914 0.573 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.002 2.956 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.871 1.702 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.283 3.157 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.618 0.487 -7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.030 0.355 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.710 0.378 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.295 1.847 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.525 1.521 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.733 3.057 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.101 2.399 -9.134 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.399 3.355 -4.402 1.00 0.00 N ATOM 1539 CA LEU A 98 -3.048 4.341 -3.386 1.00 0.00 C ATOM 1540 C LEU A 98 -1.550 4.625 -3.404 1.00 0.00 C ATOM 1541 O LEU A 98 -1.083 5.585 -2.790 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.480 3.855 -1.997 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.613 2.750 -1.384 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.486 3.348 -0.553 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.462 1.820 -0.533 1.00 0.00 C ATOM 0 H LEU A 98 -3.232 2.387 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.576 5.267 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.484 4.708 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.506 3.494 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.171 2.173 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.883 2.546 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.860 3.975 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.907 3.951 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.831 1.041 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.931 2.389 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.233 1.363 -1.153 1.00 0.00 H new