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 54 SER OG : rot 33:sc= 0.122 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.7 K(o=-1.6,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -0.592 (180deg=-0.608) USER MOD Single : A 50 ASN : amide:sc= -0.181 K(o=-0.18,f=-5.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0581 K(o=-0.058,f=-0.66) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -160:sc= -0.152 (180deg=-0.706) USER MOD Single : A 64 SER OG : rot 77:sc= 1.16 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.54 F(o=-5.5!,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 83 MET CE :methyl -164:sc= 0 (180deg=-0.598) USER MOD Single : A 96 THR OG1 : rot 78:sc= 0.0351 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.601 0.692 5.109 1.00 0.00 N ATOM 545 CA LEU A 35 1.736 -0.400 4.677 1.00 0.00 C ATOM 546 C LEU A 35 0.756 -0.800 5.777 1.00 0.00 C ATOM 547 O LEU A 35 -0.394 -1.141 5.499 1.00 0.00 O ATOM 548 CB LEU A 35 2.571 -1.612 4.262 1.00 0.00 C ATOM 549 CG LEU A 35 1.882 -2.564 3.283 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.039 -2.063 1.855 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.438 -3.971 3.423 1.00 0.00 C ATOM 0 HA LEU A 35 1.164 -0.048 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.498 -1.259 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.845 -2.170 5.157 1.00 0.00 H new ATOM 0 HG LEU A 35 0.819 -2.594 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.543 -2.752 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.588 -1.075 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.098 -2.003 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.935 -4.633 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.507 -3.962 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.271 -4.329 4.439 1.00 0.00 H new ATOM 563 N GLU A 36 1.218 -0.758 7.025 1.00 0.00 N ATOM 564 CA GLU A 36 0.377 -1.119 8.162 1.00 0.00 C ATOM 565 C GLU A 36 -0.851 -0.218 8.234 1.00 0.00 C ATOM 566 O GLU A 36 -1.899 -0.620 8.741 1.00 0.00 O ATOM 567 CB GLU A 36 1.171 -1.024 9.467 1.00 0.00 C ATOM 568 CG GLU A 36 2.349 -1.981 9.533 1.00 0.00 C ATOM 569 CD GLU A 36 3.090 -1.902 10.853 1.00 0.00 C ATOM 570 OE1 GLU A 36 4.021 -1.076 10.963 1.00 0.00 O ATOM 571 OE2 GLU A 36 2.740 -2.665 11.777 1.00 0.00 O ATOM 0 H GLU A 36 2.167 -0.478 7.273 1.00 0.00 H new ATOM 0 HA GLU A 36 0.046 -2.148 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.535 -0.004 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.503 -1.225 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.994 -3.000 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.039 -1.759 8.719 1.00 0.00 H new ATOM 578 N GLU A 37 -0.713 1.000 7.721 1.00 0.00 N ATOM 579 CA GLU A 37 -1.811 1.960 7.722 1.00 0.00 C ATOM 580 C GLU A 37 -2.834 1.616 6.645 1.00 0.00 C ATOM 581 O GLU A 37 -4.014 1.945 6.768 1.00 0.00 O ATOM 582 CB GLU A 37 -1.276 3.376 7.501 1.00 0.00 C ATOM 583 CG GLU A 37 -0.243 3.806 8.529 1.00 0.00 C ATOM 584 CD GLU A 37 0.281 5.206 8.280 1.00 0.00 C ATOM 585 OE1 GLU A 37 1.245 5.349 7.499 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.274 6.161 8.864 1.00 0.00 O ATOM 0 H GLU A 37 0.149 1.346 7.299 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.303 1.912 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.833 3.437 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.110 4.077 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.685 3.760 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.590 3.103 8.517 1.00 0.00 H new ATOM 593 N ILE A 38 -2.374 0.950 5.588 1.00 0.00 N ATOM 594 CA ILE A 38 -3.247 0.565 4.485 1.00 0.00 C ATOM 595 C ILE A 38 -4.214 -0.536 4.905 1.00 0.00 C ATOM 596 O ILE A 38 -5.417 -0.447 4.656 1.00 0.00 O ATOM 597 CB ILE A 38 -2.437 0.078 3.269 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.301 1.056 2.960 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.351 -0.085 2.061 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.427 0.629 1.801 1.00 0.00 C ATOM 0 H ILE A 38 -1.401 0.666 5.473 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.811 1.455 4.206 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.998 -0.892 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.727 2.035 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.680 1.170 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.768 -0.430 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.128 -0.815 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.813 0.873 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.355 1.371 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.028 -0.336 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.034 0.543 0.900 1.00 0.00 H new ATOM 612 N ARG A 39 -3.681 -1.572 5.543 1.00 0.00 N ATOM 613 CA ARG A 39 -4.495 -2.695 5.991 1.00 0.00 C ATOM 614 C ARG A 39 -5.434 -2.286 7.116 1.00 0.00 C ATOM 615 O ARG A 39 -6.632 -2.168 6.910 1.00 0.00 O ATOM 616 CB ARG A 39 -3.601 -3.845 6.458 1.00 0.00 C ATOM 617 CG ARG A 39 -2.732 -4.423 5.356 1.00 0.00 C ATOM 618 CD ARG A 39 -1.297 -4.613 5.822 1.00 0.00 C ATOM 619 NE ARG A 39 -1.214 -5.501 6.979 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.081 -5.779 7.618 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.066 -5.258 7.202 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.094 -6.585 8.671 1.00 0.00 N ATOM 0 H ARG A 39 -2.688 -1.657 5.762 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.098 -3.025 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.961 -3.492 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.227 -4.637 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.141 -5.380 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.750 -3.760 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.701 -5.023 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.866 -3.644 6.076 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.074 -5.933 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.081 -4.642 6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.933 -5.474 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.973 -6.992 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.775 -6.798 9.161 1.00 0.00 H new ATOM 636 N GLU A 40 -4.875 -2.031 8.295 1.00 0.00 N ATOM 637 CA GLU A 40 -5.668 -1.659 9.467 1.00 0.00 C ATOM 638 C GLU A 40 -6.831 -0.728 9.112 1.00 0.00 C ATOM 639 O GLU A 40 -7.884 -0.778 9.744 1.00 0.00 O ATOM 640 CB GLU A 40 -4.774 -0.994 10.514 1.00 0.00 C ATOM 641 CG GLU A 40 -3.649 -1.889 11.011 1.00 0.00 C ATOM 642 CD GLU A 40 -4.159 -3.163 11.658 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.346 -4.164 10.934 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.370 -3.160 12.888 1.00 0.00 O ATOM 0 H GLU A 40 -3.871 -2.075 8.467 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.095 -2.576 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.345 -0.087 10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.387 -0.690 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.998 -2.146 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.042 -1.338 11.730 1.00 0.00 H new ATOM 651 N ALA A 41 -6.649 0.100 8.091 1.00 0.00 N ATOM 652 CA ALA A 41 -7.685 1.042 7.678 1.00 0.00 C ATOM 653 C ALA A 41 -8.907 0.354 7.058 1.00 0.00 C ATOM 654 O ALA A 41 -9.938 0.187 7.714 1.00 0.00 O ATOM 655 CB ALA A 41 -7.109 2.060 6.706 1.00 0.00 C ATOM 0 H ALA A 41 -5.796 0.139 7.534 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.031 1.546 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.890 2.758 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.300 2.608 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.723 1.545 5.826 1.00 0.00 H new ATOM 661 N PHE A 42 -8.785 -0.059 5.799 1.00 0.00 N ATOM 662 CA PHE A 42 -9.899 -0.680 5.085 1.00 0.00 C ATOM 663 C PHE A 42 -10.112 -2.139 5.484 1.00 0.00 C ATOM 664 O PHE A 42 -11.195 -2.689 5.286 1.00 0.00 O ATOM 665 CB PHE A 42 -9.669 -0.569 3.578 1.00 0.00 C ATOM 666 CG PHE A 42 -10.007 0.784 3.019 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.296 1.908 3.407 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.042 0.932 2.108 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.610 3.154 2.897 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.361 2.175 1.596 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.644 3.288 1.991 1.00 0.00 C ATOM 0 H PHE A 42 -7.928 0.025 5.252 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.806 -0.143 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.625 -0.793 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.269 -1.324 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.487 1.810 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.605 0.065 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.047 4.022 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.170 2.276 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.891 4.261 1.592 1.00 0.00 H new ATOM 681 N LYS A 43 -9.085 -2.760 6.045 1.00 0.00 N ATOM 682 CA LYS A 43 -9.174 -4.156 6.459 1.00 0.00 C ATOM 683 C LYS A 43 -10.152 -4.323 7.620 1.00 0.00 C ATOM 684 O LYS A 43 -10.882 -5.311 7.681 1.00 0.00 O ATOM 685 CB LYS A 43 -7.794 -4.692 6.851 1.00 0.00 C ATOM 686 CG LYS A 43 -7.598 -6.170 6.550 1.00 0.00 C ATOM 687 CD LYS A 43 -7.735 -6.468 5.063 1.00 0.00 C ATOM 688 CE LYS A 43 -6.757 -5.651 4.228 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.862 -5.976 2.779 1.00 0.00 N ATOM 0 H LYS A 43 -8.181 -2.322 6.225 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.546 -4.732 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.030 -4.120 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.640 -4.525 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.612 -6.483 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.331 -6.754 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.563 -7.530 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.754 -6.253 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.951 -4.589 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.740 -5.841 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.094 -5.504 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.787 -7.005 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.779 -5.646 2.415 1.00 0.00 H new ATOM 703 N VAL A 44 -10.168 -3.360 8.544 1.00 0.00 N ATOM 704 CA VAL A 44 -11.074 -3.437 9.686 1.00 0.00 C ATOM 705 C VAL A 44 -12.511 -3.155 9.264 1.00 0.00 C ATOM 706 O VAL A 44 -13.446 -3.746 9.803 1.00 0.00 O ATOM 707 CB VAL A 44 -10.680 -2.470 10.820 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.289 -2.796 11.340 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.763 -1.024 10.356 1.00 0.00 C ATOM 0 H VAL A 44 -9.573 -2.531 8.524 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.996 -4.455 10.067 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.388 -2.598 11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.028 -2.103 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.274 -3.816 11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.566 -2.703 10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.480 -0.362 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.085 -0.872 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.783 -0.800 10.044 1.00 0.00 H new ATOM 719 N PHE A 45 -12.689 -2.248 8.301 1.00 0.00 N ATOM 720 CA PHE A 45 -14.029 -1.921 7.822 1.00 0.00 C ATOM 721 C PHE A 45 -14.703 -3.160 7.242 1.00 0.00 C ATOM 722 O PHE A 45 -15.924 -3.202 7.089 1.00 0.00 O ATOM 723 CB PHE A 45 -13.987 -0.799 6.777 1.00 0.00 C ATOM 724 CG PHE A 45 -13.531 0.524 7.329 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.103 1.046 8.480 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.532 1.246 6.698 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.685 2.262 8.989 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.110 2.462 7.202 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.688 2.970 8.349 1.00 0.00 C ATOM 0 H PHE A 45 -11.934 -1.735 7.845 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.612 -1.568 8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.320 -1.094 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.981 -0.679 6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.884 0.496 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.077 0.854 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.138 2.657 9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.329 3.014 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.360 3.920 8.745 1.00 0.00 H new ATOM 739 N ASP A 46 -13.894 -4.169 6.923 1.00 0.00 N ATOM 740 CA ASP A 46 -14.406 -5.420 6.377 1.00 0.00 C ATOM 741 C ASP A 46 -15.105 -6.219 7.473 1.00 0.00 C ATOM 742 O ASP A 46 -14.478 -7.012 8.176 1.00 0.00 O ATOM 743 CB ASP A 46 -13.266 -6.237 5.768 1.00 0.00 C ATOM 744 CG ASP A 46 -13.753 -7.496 5.076 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.971 -7.602 4.824 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.915 -8.373 4.781 1.00 0.00 O ATOM 0 H ASP A 46 -12.880 -4.142 7.034 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.128 -5.194 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.725 -5.620 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.560 -6.509 6.552 1.00 0.00 H new ATOM 751 N ARG A 47 -16.407 -5.994 7.612 1.00 0.00 N ATOM 752 CA ARG A 47 -17.206 -6.668 8.630 1.00 0.00 C ATOM 753 C ARG A 47 -17.066 -8.185 8.548 1.00 0.00 C ATOM 754 O ARG A 47 -16.990 -8.863 9.572 1.00 0.00 O ATOM 755 CB ARG A 47 -18.675 -6.270 8.490 1.00 0.00 C ATOM 756 CG ARG A 47 -18.889 -4.767 8.403 1.00 0.00 C ATOM 757 CD ARG A 47 -20.367 -4.419 8.331 1.00 0.00 C ATOM 758 NE ARG A 47 -21.087 -4.845 9.527 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.401 -5.038 9.565 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.135 -4.849 8.476 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.983 -5.421 10.693 1.00 0.00 N ATOM 0 H ARG A 47 -16.935 -5.345 7.028 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.834 -6.353 9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.087 -6.740 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.232 -6.660 9.342 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.442 -4.284 9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.379 -4.376 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.480 -3.342 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.809 -4.892 7.454 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.552 -5.003 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.691 -4.555 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.144 -4.998 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.422 -5.568 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.992 -5.569 10.722 1.00 0.00 H new ATOM 775 N ASP A 48 -17.034 -8.716 7.329 1.00 0.00 N ATOM 776 CA ASP A 48 -16.907 -10.158 7.134 1.00 0.00 C ATOM 777 C ASP A 48 -15.465 -10.615 7.331 1.00 0.00 C ATOM 778 O ASP A 48 -15.206 -11.793 7.580 1.00 0.00 O ATOM 779 CB ASP A 48 -17.389 -10.550 5.736 1.00 0.00 C ATOM 780 CG ASP A 48 -18.814 -10.109 5.471 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.744 -10.875 5.799 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.002 -8.996 4.934 1.00 0.00 O ATOM 0 H ASP A 48 -17.094 -8.174 6.467 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.529 -10.652 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.730 -10.106 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.319 -11.632 5.621 1.00 0.00 H new ATOM 787 N GLY A 49 -14.533 -9.674 7.224 1.00 0.00 N ATOM 788 CA GLY A 49 -13.127 -9.990 7.401 1.00 0.00 C ATOM 789 C GLY A 49 -12.632 -11.052 6.437 1.00 0.00 C ATOM 790 O GLY A 49 -11.604 -11.684 6.681 1.00 0.00 O ATOM 0 H GLY A 49 -14.727 -8.694 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.537 -9.083 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.963 -10.330 8.423 1.00 0.00 H new ATOM 794 N ASN A 50 -13.358 -11.248 5.340 1.00 0.00 N ATOM 795 CA ASN A 50 -12.981 -12.242 4.342 1.00 0.00 C ATOM 796 C ASN A 50 -11.829 -11.739 3.476 1.00 0.00 C ATOM 797 O ASN A 50 -11.365 -12.440 2.577 1.00 0.00 O ATOM 798 CB ASN A 50 -14.181 -12.600 3.462 1.00 0.00 C ATOM 799 CG ASN A 50 -14.965 -11.378 3.024 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.413 -10.287 2.883 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.264 -11.556 2.806 1.00 0.00 N ATOM 0 H ASN A 50 -14.210 -10.732 5.120 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.650 -13.137 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.833 -13.140 2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.840 -13.274 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.844 -10.771 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.681 -12.478 2.935 1.00 0.00 H new ATOM 808 N GLY A 51 -11.374 -10.522 3.755 1.00 0.00 N ATOM 809 CA GLY A 51 -10.280 -9.946 2.995 1.00 0.00 C ATOM 810 C GLY A 51 -10.762 -9.017 1.900 1.00 0.00 C ATOM 811 O GLY A 51 -10.000 -8.194 1.393 1.00 0.00 O ATOM 0 H GLY A 51 -11.743 -9.924 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.622 -9.397 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.687 -10.747 2.553 1.00 0.00 H new ATOM 815 N PHE A 52 -12.032 -9.151 1.533 1.00 0.00 N ATOM 816 CA PHE A 52 -12.620 -8.317 0.492 1.00 0.00 C ATOM 817 C PHE A 52 -13.693 -7.405 1.081 1.00 0.00 C ATOM 818 O PHE A 52 -14.473 -7.822 1.936 1.00 0.00 O ATOM 819 CB PHE A 52 -13.223 -9.189 -0.612 1.00 0.00 C ATOM 820 CG PHE A 52 -12.434 -10.437 -0.896 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.396 -10.425 -1.813 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.734 -11.622 -0.242 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.670 -11.573 -2.074 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.013 -12.772 -0.499 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.980 -12.748 -1.416 1.00 0.00 C ATOM 0 H PHE A 52 -12.674 -9.830 1.942 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.832 -7.699 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.238 -9.468 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.298 -8.601 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.151 -9.509 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.540 -11.646 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.862 -11.551 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.257 -13.689 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.416 -13.646 -1.618 1.00 0.00 H new ATOM 835 N ILE A 53 -13.726 -6.159 0.619 1.00 0.00 N ATOM 836 CA ILE A 53 -14.703 -5.192 1.107 1.00 0.00 C ATOM 837 C ILE A 53 -15.833 -4.995 0.097 1.00 0.00 C ATOM 838 O ILE A 53 -15.596 -4.616 -1.050 1.00 0.00 O ATOM 839 CB ILE A 53 -14.035 -3.833 1.403 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.926 -4.005 2.445 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.069 -2.824 1.886 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.774 -3.042 2.264 1.00 0.00 C ATOM 0 H ILE A 53 -13.089 -5.796 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.121 -5.591 2.031 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.592 -3.455 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.349 -3.870 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.547 -5.026 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.580 -1.871 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.828 -2.685 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.539 -3.193 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.026 -3.221 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.325 -3.192 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.140 -2.018 2.343 1.00 0.00 H new ATOM 854 N SER A 54 -17.062 -5.257 0.537 1.00 0.00 N ATOM 855 CA SER A 54 -18.237 -5.115 -0.318 1.00 0.00 C ATOM 856 C SER A 54 -18.724 -3.670 -0.344 1.00 0.00 C ATOM 857 O SER A 54 -18.111 -2.795 0.260 1.00 0.00 O ATOM 858 CB SER A 54 -19.358 -6.031 0.170 1.00 0.00 C ATOM 859 OG SER A 54 -19.041 -7.394 -0.058 1.00 0.00 O ATOM 0 H SER A 54 -17.270 -5.570 1.485 1.00 0.00 H new ATOM 0 HA SER A 54 -17.954 -5.401 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.528 -5.867 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.286 -5.780 -0.343 1.00 0.00 H new ATOM 0 HG SER A 54 -18.073 -7.523 0.025 1.00 0.00 H new ATOM 865 N LYS A 55 -19.821 -3.421 -1.058 1.00 0.00 N ATOM 866 CA LYS A 55 -20.381 -2.076 -1.155 1.00 0.00 C ATOM 867 C LYS A 55 -20.879 -1.578 0.201 1.00 0.00 C ATOM 868 O LYS A 55 -20.523 -0.484 0.639 1.00 0.00 O ATOM 869 CB LYS A 55 -21.536 -2.049 -2.163 1.00 0.00 C ATOM 870 CG LYS A 55 -21.099 -2.234 -3.609 1.00 0.00 C ATOM 871 CD LYS A 55 -20.866 -3.698 -3.949 1.00 0.00 C ATOM 872 CE LYS A 55 -22.176 -4.463 -4.055 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.957 -5.895 -4.394 1.00 0.00 N ATOM 0 H LYS A 55 -20.338 -4.132 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.584 -1.414 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.248 -2.834 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -22.062 -1.099 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.860 -1.824 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.183 -1.670 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.324 -3.771 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.238 -4.154 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.715 -4.392 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.805 -4.002 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.874 -6.381 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.465 -5.964 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.378 -6.342 -3.655 1.00 0.00 H new ATOM 887 N GLN A 56 -21.704 -2.388 0.859 1.00 0.00 N ATOM 888 CA GLN A 56 -22.266 -2.027 2.158 1.00 0.00 C ATOM 889 C GLN A 56 -21.170 -1.775 3.188 1.00 0.00 C ATOM 890 O GLN A 56 -21.353 -1.000 4.128 1.00 0.00 O ATOM 891 CB GLN A 56 -23.202 -3.132 2.653 1.00 0.00 C ATOM 892 CG GLN A 56 -24.302 -3.485 1.664 1.00 0.00 C ATOM 893 CD GLN A 56 -25.175 -2.297 1.307 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.377 -1.394 2.119 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.693 -2.290 0.085 1.00 0.00 N ATOM 0 H GLN A 56 -21.999 -3.301 0.513 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.831 -1.103 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.615 -4.026 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.656 -2.818 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.853 -3.886 0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.925 -4.274 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.499 -3.060 -0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.285 -1.515 -0.214 1.00 0.00 H new ATOM 904 N GLU A 57 -20.031 -2.433 3.007 1.00 0.00 N ATOM 905 CA GLU A 57 -18.904 -2.284 3.921 1.00 0.00 C ATOM 906 C GLU A 57 -18.077 -1.050 3.566 1.00 0.00 C ATOM 907 O GLU A 57 -17.772 -0.220 4.424 1.00 0.00 O ATOM 908 CB GLU A 57 -18.029 -3.538 3.873 1.00 0.00 C ATOM 909 CG GLU A 57 -18.783 -4.810 4.227 1.00 0.00 C ATOM 910 CD GLU A 57 -17.931 -6.056 4.093 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.903 -6.639 2.989 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.294 -6.451 5.090 1.00 0.00 O ATOM 0 H GLU A 57 -19.863 -3.077 2.234 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.291 -2.155 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.607 -3.640 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.193 -3.416 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.151 -4.736 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.656 -4.901 3.580 1.00 0.00 H new ATOM 919 N LEU A 58 -17.721 -0.942 2.292 1.00 0.00 N ATOM 920 CA LEU A 58 -16.939 0.183 1.800 1.00 0.00 C ATOM 921 C LEU A 58 -17.688 1.492 2.041 1.00 0.00 C ATOM 922 O LEU A 58 -17.080 2.552 2.194 1.00 0.00 O ATOM 923 CB LEU A 58 -16.656 -0.011 0.303 1.00 0.00 C ATOM 924 CG LEU A 58 -15.438 0.728 -0.273 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.736 2.206 -0.469 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.216 0.537 0.615 1.00 0.00 C ATOM 0 H LEU A 58 -17.964 -1.627 1.576 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.992 0.230 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.526 -1.077 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.539 0.304 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.219 0.297 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.856 2.703 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.571 2.320 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.994 2.655 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.367 1.070 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.425 0.929 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.980 -0.525 0.686 1.00 0.00 H new ATOM 938 N GLY A 59 -19.015 1.403 2.091 1.00 0.00 N ATOM 939 CA GLY A 59 -19.833 2.581 2.315 1.00 0.00 C ATOM 940 C GLY A 59 -19.651 3.146 3.709 1.00 0.00 C ATOM 941 O GLY A 59 -19.959 4.310 3.962 1.00 0.00 O ATOM 0 H GLY A 59 -19.538 0.534 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.578 3.344 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.882 2.328 2.161 1.00 0.00 H new ATOM 945 N THR A 60 -19.147 2.315 4.615 1.00 0.00 N ATOM 946 CA THR A 60 -18.911 2.732 5.990 1.00 0.00 C ATOM 947 C THR A 60 -17.526 3.353 6.120 1.00 0.00 C ATOM 948 O THR A 60 -17.252 4.111 7.050 1.00 0.00 O ATOM 949 CB THR A 60 -19.032 1.545 6.966 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.280 0.871 6.763 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.937 2.012 8.411 1.00 0.00 C ATOM 0 H THR A 60 -18.894 1.346 4.420 1.00 0.00 H new ATOM 0 HA THR A 60 -19.671 3.470 6.247 1.00 0.00 H new ATOM 0 HB THR A 60 -18.207 0.860 6.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.350 0.117 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.026 1.154 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.976 2.500 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.742 2.717 8.619 1.00 0.00 H new ATOM 959 N ALA A 61 -16.654 3.022 5.172 1.00 0.00 N ATOM 960 CA ALA A 61 -15.294 3.545 5.161 1.00 0.00 C ATOM 961 C ALA A 61 -15.259 4.989 4.667 1.00 0.00 C ATOM 962 O ALA A 61 -14.607 5.845 5.266 1.00 0.00 O ATOM 963 CB ALA A 61 -14.403 2.673 4.291 1.00 0.00 C ATOM 0 H ALA A 61 -16.867 2.391 4.399 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.920 3.530 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.390 3.074 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.391 1.657 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.789 2.662 3.272 1.00 0.00 H new ATOM 969 N MET A 62 -15.962 5.252 3.569 1.00 0.00 N ATOM 970 CA MET A 62 -16.007 6.590 2.987 1.00 0.00 C ATOM 971 C MET A 62 -16.613 7.601 3.956 1.00 0.00 C ATOM 972 O MET A 62 -16.091 8.705 4.118 1.00 0.00 O ATOM 973 CB MET A 62 -16.804 6.574 1.680 1.00 0.00 C ATOM 974 CG MET A 62 -16.132 5.787 0.567 1.00 0.00 C ATOM 975 SD MET A 62 -14.525 6.466 0.108 1.00 0.00 S ATOM 976 CE MET A 62 -14.987 8.111 -0.430 1.00 0.00 C ATOM 0 H MET A 62 -16.509 4.555 3.064 1.00 0.00 H new ATOM 0 HA MET A 62 -14.982 6.896 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.789 6.149 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.959 7.600 1.346 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.007 4.751 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.781 5.777 -0.309 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.199 8.522 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.916 8.061 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.127 8.752 0.440 1.00 0.00 H new ATOM 986 N ARG A 63 -17.717 7.223 4.598 1.00 0.00 N ATOM 987 CA ARG A 63 -18.384 8.110 5.549 1.00 0.00 C ATOM 988 C ARG A 63 -17.452 8.473 6.700 1.00 0.00 C ATOM 989 O ARG A 63 -17.620 9.507 7.345 1.00 0.00 O ATOM 990 CB ARG A 63 -19.656 7.456 6.093 1.00 0.00 C ATOM 991 CG ARG A 63 -19.391 6.247 6.973 1.00 0.00 C ATOM 992 CD ARG A 63 -20.653 5.794 7.686 1.00 0.00 C ATOM 993 NE ARG A 63 -21.223 6.856 8.512 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.410 6.775 9.107 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.154 5.685 8.967 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.853 7.786 9.842 1.00 0.00 N ATOM 0 H ARG A 63 -18.166 6.315 4.478 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.655 9.024 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.218 8.195 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.286 7.154 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.002 5.431 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.624 6.491 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.390 5.471 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.427 4.930 8.311 1.00 0.00 H new ATOM 0 HE ARG A 63 -20.679 7.709 8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.816 4.906 8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.064 5.626 9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.284 8.625 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.763 7.724 10.298 1.00 0.00 H new ATOM 1010 N SER A 64 -16.467 7.614 6.954 1.00 0.00 N ATOM 1011 CA SER A 64 -15.505 7.847 8.024 1.00 0.00 C ATOM 1012 C SER A 64 -14.491 8.914 7.619 1.00 0.00 C ATOM 1013 O SER A 64 -13.468 9.098 8.279 1.00 0.00 O ATOM 1014 CB SER A 64 -14.782 6.548 8.384 1.00 0.00 C ATOM 1015 OG SER A 64 -15.700 5.547 8.787 1.00 0.00 O ATOM 0 H SER A 64 -16.316 6.751 6.432 1.00 0.00 H new ATOM 0 HA SER A 64 -16.051 8.202 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.210 6.197 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.069 6.736 9.187 1.00 0.00 H new ATOM 0 HG SER A 64 -16.142 5.172 7.997 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.786 9.617 6.528 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.910 10.670 6.029 1.00 0.00 C ATOM 1023 C LEU A 65 -14.653 12.000 5.991 1.00 0.00 C ATOM 1024 O LEU A 65 -14.040 13.068 5.966 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.400 10.320 4.629 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.785 8.926 4.486 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.390 8.663 3.041 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.581 8.776 5.404 1.00 0.00 C ATOM 0 H LEU A 65 -15.629 9.474 5.972 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.058 10.758 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.229 10.407 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.655 11.060 4.336 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.533 8.189 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.954 7.667 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.273 8.727 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.659 9.406 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.157 7.778 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.830 9.522 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.892 8.920 6.439 1.00 0.00 H new ATOM 1040 N GLY A 66 -15.980 11.920 5.985 1.00 0.00 N ATOM 1041 CA GLY A 66 -16.802 13.115 5.946 1.00 0.00 C ATOM 1042 C GLY A 66 -17.659 13.178 4.698 1.00 0.00 C ATOM 1043 O GLY A 66 -18.191 14.233 4.354 1.00 0.00 O ATOM 0 H GLY A 66 -16.502 11.044 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.443 13.142 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.162 13.996 5.990 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.789 12.041 4.019 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.587 11.961 2.800 1.00 0.00 C ATOM 1049 C TYR A 67 -19.539 10.770 2.854 1.00 0.00 C ATOM 1050 O TYR A 67 -19.191 9.667 2.432 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.676 11.836 1.576 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.491 12.773 1.602 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.597 14.071 1.119 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.266 12.360 2.113 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.515 14.931 1.142 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.180 13.214 2.140 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.310 14.498 1.654 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.230 15.351 1.681 1.00 0.00 O ATOM 0 H TYR A 67 -17.351 11.162 4.293 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.174 12.876 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.315 10.810 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.261 12.030 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.540 14.414 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.161 11.355 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.613 15.937 0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.235 12.878 2.540 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.459 14.891 2.074 1.00 0.00 H new ATOM 1068 N MET A 68 -20.740 10.999 3.376 1.00 0.00 N ATOM 1069 CA MET A 68 -21.743 9.944 3.487 1.00 0.00 C ATOM 1070 C MET A 68 -22.174 9.447 2.105 1.00 0.00 C ATOM 1071 O MET A 68 -22.827 10.176 1.359 1.00 0.00 O ATOM 1072 CB MET A 68 -22.964 10.456 4.255 1.00 0.00 C ATOM 1073 CG MET A 68 -22.645 10.923 5.665 1.00 0.00 C ATOM 1074 SD MET A 68 -24.101 11.528 6.540 1.00 0.00 S ATOM 1075 CE MET A 68 -23.381 11.996 8.111 1.00 0.00 C ATOM 0 H MET A 68 -21.043 11.907 3.729 1.00 0.00 H new ATOM 0 HA MET A 68 -21.297 9.111 4.030 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.411 11.281 3.701 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.710 9.663 4.304 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.205 10.099 6.226 1.00 0.00 H new ATOM 0 HG3 MET A 68 -21.897 11.714 5.621 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.159 12.391 8.765 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.924 11.123 8.577 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.621 12.760 7.950 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.815 8.197 1.743 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.170 7.620 0.449 1.00 0.00 C ATOM 1087 C PRO A 69 -23.538 6.948 0.466 1.00 0.00 C ATOM 1088 O PRO A 69 -23.866 6.211 1.395 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.069 6.586 0.239 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.739 6.105 1.614 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.030 7.248 2.560 1.00 0.00 C ATOM 0 HA PRO A 69 -22.240 8.371 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.409 5.768 -0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.198 7.027 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.336 5.230 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.692 5.807 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.592 6.912 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.112 7.704 2.929 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.333 7.207 -0.569 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.665 6.624 -0.673 1.00 0.00 C ATOM 1101 C ASN A 70 -25.635 5.327 -1.478 1.00 0.00 C ATOM 1102 O ASN A 70 -24.572 4.882 -1.909 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.637 7.619 -1.304 1.00 0.00 C ATOM 1104 CG ASN A 70 -25.970 8.473 -2.358 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -25.886 7.950 -3.570 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -25.527 9.589 -2.083 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.077 7.816 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.009 6.390 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -27.471 7.077 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.053 8.261 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.614 9.953 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -25.073 10.149 -2.804 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.804 4.727 -1.677 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.908 3.475 -2.422 1.00 0.00 C ATOM 1115 C GLU A 71 -26.356 3.619 -3.839 1.00 0.00 C ATOM 1116 O GLU A 71 -25.970 2.632 -4.467 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.365 3.009 -2.478 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.305 4.021 -3.113 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.740 3.533 -3.164 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.449 3.666 -2.145 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.154 3.019 -4.224 1.00 0.00 O ATOM 0 H GLU A 71 -27.694 5.087 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.310 2.729 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.418 2.076 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.708 2.793 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.262 4.954 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -28.964 4.243 -4.124 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.318 4.851 -4.335 1.00 0.00 N ATOM 1129 CA VAL A 72 -25.822 5.117 -5.680 1.00 0.00 C ATOM 1130 C VAL A 72 -24.319 5.387 -5.681 1.00 0.00 C ATOM 1131 O VAL A 72 -23.647 5.200 -6.696 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.553 6.319 -6.313 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.175 6.468 -7.779 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.058 6.170 -6.156 1.00 0.00 C ATOM 0 H VAL A 72 -26.624 5.680 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.019 4.223 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.242 7.224 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -26.702 7.322 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.100 6.626 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.452 5.563 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.558 7.027 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.387 5.256 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.310 6.120 -5.097 1.00 0.00 H new ATOM 1144 N GLU A 73 -23.794 5.821 -4.539 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.372 6.125 -4.419 1.00 0.00 C ATOM 1146 C GLU A 73 -21.528 4.858 -4.285 1.00 0.00 C ATOM 1147 O GLU A 73 -20.607 4.634 -5.069 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.124 7.046 -3.221 1.00 0.00 C ATOM 1149 CG GLU A 73 -22.562 8.483 -3.457 1.00 0.00 C ATOM 1150 CD GLU A 73 -21.824 9.133 -4.611 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -22.310 9.033 -5.758 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -20.761 9.740 -4.369 1.00 0.00 O ATOM 0 H GLU A 73 -24.331 5.970 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.069 6.632 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.654 6.651 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.062 7.034 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -23.633 8.505 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.395 9.064 -2.550 1.00 0.00 H new ATOM 1159 N LEU A 74 -21.847 4.031 -3.293 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.101 2.794 -3.059 1.00 0.00 C ATOM 1161 C LEU A 74 -21.091 1.892 -4.293 1.00 0.00 C ATOM 1162 O LEU A 74 -20.309 0.944 -4.368 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.675 2.043 -1.852 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.202 1.984 -1.774 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.757 0.972 -2.764 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.648 1.646 -0.358 1.00 0.00 C ATOM 0 H LEU A 74 -22.614 4.192 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.068 3.070 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.290 1.023 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.301 2.513 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.595 2.966 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.844 0.949 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.469 1.257 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.356 -0.016 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.737 1.608 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.240 0.677 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.287 2.411 0.330 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.958 2.184 -5.258 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.034 1.389 -6.481 1.00 0.00 C ATOM 1180 C GLU A 75 -21.074 1.908 -7.551 1.00 0.00 C ATOM 1181 O GLU A 75 -20.589 1.138 -8.381 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.464 1.384 -7.027 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.403 0.450 -6.279 1.00 0.00 C ATOM 1184 CD GLU A 75 -24.035 -1.010 -6.453 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.111 -1.510 -7.595 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.670 -1.653 -5.447 1.00 0.00 O ATOM 0 H GLU A 75 -22.616 2.962 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.740 0.371 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.863 2.397 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.441 1.096 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.389 0.700 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.423 0.608 -6.631 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.799 3.212 -7.533 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.906 3.812 -8.520 1.00 0.00 C ATOM 1195 C VAL A 76 -18.451 3.812 -8.056 1.00 0.00 C ATOM 1196 O VAL A 76 -17.531 3.825 -8.872 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.324 5.257 -8.867 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.753 5.290 -9.387 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.169 6.172 -7.661 1.00 0.00 C ATOM 0 H VAL A 76 -21.179 3.868 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.989 3.192 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.664 5.622 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.030 6.317 -9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.828 4.676 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.427 4.901 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.470 7.184 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.798 5.811 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.128 6.177 -7.339 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.249 3.806 -6.745 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.904 3.811 -6.178 1.00 0.00 C ATOM 1211 C ILE A 77 -16.292 2.412 -6.168 1.00 0.00 C ATOM 1212 O ILE A 77 -15.075 2.256 -6.271 1.00 0.00 O ATOM 1213 CB ILE A 77 -16.916 4.374 -4.745 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.485 5.792 -4.748 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.516 4.361 -4.150 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.381 6.083 -3.568 1.00 0.00 C ATOM 0 H ILE A 77 -18.998 3.798 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.292 4.452 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.551 3.741 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.661 6.506 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.048 5.947 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.547 4.763 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.142 3.338 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.854 4.973 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.749 7.107 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.225 5.393 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.817 5.960 -2.644 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.143 1.398 -6.047 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.683 0.015 -6.006 1.00 0.00 C ATOM 1230 C ILE A 78 -16.320 -0.507 -7.397 1.00 0.00 C ATOM 1231 O ILE A 78 -15.549 -1.458 -7.526 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.749 -0.903 -5.362 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.824 -0.645 -3.853 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.457 -2.374 -5.638 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.543 -0.969 -3.112 1.00 0.00 C ATOM 0 H ILE A 78 -18.155 1.508 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.782 -0.001 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.714 -0.667 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.075 0.402 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.636 -1.238 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.225 -2.991 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.455 -2.549 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.482 -2.635 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.674 -0.761 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.301 -2.023 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.731 -0.357 -3.504 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.852 0.126 -8.437 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.571 -0.307 -9.802 1.00 0.00 C ATOM 1249 C GLN A 79 -15.249 0.273 -10.294 1.00 0.00 C ATOM 1250 O GLN A 79 -14.681 -0.197 -11.279 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.707 0.098 -10.744 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.914 1.599 -10.848 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.017 1.967 -11.820 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.978 1.218 -12.000 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.884 3.125 -12.455 1.00 0.00 N ATOM 0 H GLN A 79 -17.473 0.932 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.492 -1.394 -9.799 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.502 -0.300 -11.738 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.633 -0.364 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.154 1.998 -9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.983 2.070 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.071 3.715 -12.275 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.594 3.425 -13.122 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.766 1.297 -9.600 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.508 1.941 -9.961 1.00 0.00 C ATOM 1266 C ARG A 80 -12.323 1.133 -9.451 1.00 0.00 C ATOM 1267 O ARG A 80 -11.229 1.196 -10.012 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.454 3.358 -9.391 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.572 4.262 -9.882 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.369 4.674 -11.333 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.541 3.554 -12.255 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.006 3.507 -13.472 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.264 4.515 -13.914 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -14.211 2.451 -14.248 1.00 0.00 N ATOM 0 H ARG A 80 -15.226 1.700 -8.784 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.453 1.992 -11.048 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.495 3.303 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.496 3.808 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.527 3.747 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.622 5.152 -9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.077 5.463 -11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.369 5.091 -11.454 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.105 2.761 -11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.103 5.328 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.855 4.476 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.779 1.674 -13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.800 2.416 -15.181 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.548 0.375 -8.383 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.495 -0.443 -7.793 1.00 0.00 C ATOM 1290 C LEU A 81 -11.605 -1.893 -8.256 1.00 0.00 C ATOM 1291 O LEU A 81 -10.601 -2.533 -8.569 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.570 -0.374 -6.265 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.955 0.993 -5.689 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.934 0.955 -4.169 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -11.026 2.082 -6.207 1.00 0.00 C ATOM 0 H LEU A 81 -13.449 0.310 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.533 -0.051 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.294 -1.112 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.601 -0.662 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.968 1.226 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.210 1.934 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.644 0.208 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.933 0.695 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.320 3.043 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.001 1.855 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.091 2.129 -7.294 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.832 -2.406 -8.296 1.00 0.00 N ATOM 1308 CA ASP A 82 -13.078 -3.781 -8.718 1.00 0.00 C ATOM 1309 C ASP A 82 -12.794 -3.960 -10.207 1.00 0.00 C ATOM 1310 O ASP A 82 -13.686 -3.817 -11.044 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.522 -4.174 -8.404 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.791 -5.641 -8.662 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.985 -6.479 -8.206 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.810 -5.954 -9.311 1.00 0.00 O ATOM 0 H ASP A 82 -13.673 -1.888 -8.041 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.401 -4.433 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.739 -3.946 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.199 -3.571 -9.009 1.00 0.00 H new ATOM 1319 N MET A 83 -11.541 -4.273 -10.527 1.00 0.00 N ATOM 1320 CA MET A 83 -11.121 -4.468 -11.912 1.00 0.00 C ATOM 1321 C MET A 83 -11.431 -5.878 -12.414 1.00 0.00 C ATOM 1322 O MET A 83 -11.942 -6.050 -13.521 1.00 0.00 O ATOM 1323 CB MET A 83 -9.623 -4.194 -12.049 1.00 0.00 C ATOM 1324 CG MET A 83 -9.226 -2.771 -11.689 1.00 0.00 C ATOM 1325 SD MET A 83 -10.072 -1.538 -12.696 1.00 0.00 S ATOM 1326 CE MET A 83 -9.302 -0.033 -12.107 1.00 0.00 C ATOM 0 H MET A 83 -10.795 -4.398 -9.842 1.00 0.00 H new ATOM 0 HA MET A 83 -11.686 -3.764 -12.524 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.076 -4.887 -11.410 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.318 -4.398 -13.075 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.449 -2.591 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.149 -2.657 -11.810 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.900 0.825 -12.413 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.236 -0.060 -11.019 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.301 0.053 -12.529 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.120 -6.884 -11.600 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.351 -8.276 -11.985 1.00 0.00 C ATOM 1338 C ASP A 84 -12.842 -8.602 -12.061 1.00 0.00 C ATOM 1339 O ASP A 84 -13.239 -9.580 -12.695 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.653 -9.222 -11.008 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.147 -9.059 -9.586 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.823 -8.028 -8.958 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.856 -9.962 -9.098 1.00 0.00 O ATOM 0 H ASP A 84 -10.709 -6.764 -10.674 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.929 -8.416 -12.980 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.813 -10.252 -11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.578 -9.042 -11.038 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.662 -7.780 -11.414 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.099 -7.996 -11.436 1.00 0.00 C ATOM 1350 C GLY A 85 -15.556 -9.063 -10.457 1.00 0.00 C ATOM 1351 O GLY A 85 -16.246 -10.008 -10.839 1.00 0.00 O ATOM 0 H GLY A 85 -13.359 -6.969 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.605 -7.059 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.402 -8.282 -12.443 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.178 -8.911 -9.191 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.566 -9.868 -8.159 1.00 0.00 C ATOM 1357 C ASP A 86 -16.590 -9.255 -7.210 1.00 0.00 C ATOM 1358 O ASP A 86 -16.961 -9.862 -6.205 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.342 -10.342 -7.372 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.702 -9.230 -6.563 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -14.105 -9.040 -5.397 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -12.799 -8.553 -7.094 1.00 0.00 O ATOM 0 H ASP A 86 -14.605 -8.137 -8.855 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.019 -10.728 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.636 -11.150 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.607 -10.753 -8.064 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.044 -8.047 -7.537 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.023 -7.369 -6.706 1.00 0.00 C ATOM 1369 C GLY A 87 -17.404 -6.704 -5.491 1.00 0.00 C ATOM 1370 O GLY A 87 -18.009 -5.820 -4.886 1.00 0.00 O ATOM 0 H GLY A 87 -16.751 -7.526 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.540 -6.617 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.774 -8.088 -6.378 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.194 -7.127 -5.135 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.497 -6.568 -3.982 1.00 0.00 C ATOM 1376 C GLN A 88 -14.134 -6.008 -4.383 1.00 0.00 C ATOM 1377 O GLN A 88 -13.617 -6.311 -5.459 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.337 -7.635 -2.897 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.664 -8.182 -2.390 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.490 -9.267 -1.347 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.428 -8.989 -0.149 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.413 -10.514 -1.797 1.00 0.00 N ATOM 0 H GLN A 88 -15.677 -7.855 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 88 -16.094 -5.747 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.740 -8.457 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.783 -7.211 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.250 -7.367 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.233 -8.580 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.469 -10.699 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.298 -11.287 -1.141 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.559 -5.186 -3.509 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.260 -4.572 -3.771 1.00 0.00 C ATOM 1393 C VAL A 89 -11.122 -5.392 -3.171 1.00 0.00 C ATOM 1394 O VAL A 89 -11.195 -5.830 -2.022 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.198 -3.140 -3.206 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.885 -2.469 -3.579 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.383 -2.323 -3.699 1.00 0.00 C ATOM 0 H VAL A 89 -13.972 -4.929 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.141 -4.539 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.249 -3.197 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.863 -1.459 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.054 -3.044 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.796 -2.422 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.324 -1.314 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.365 -2.276 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.310 -2.793 -3.372 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.070 -5.593 -3.962 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.909 -6.358 -3.517 1.00 0.00 C ATOM 1409 C ASP A 90 -7.846 -5.444 -2.916 1.00 0.00 C ATOM 1410 O ASP A 90 -7.710 -4.284 -3.307 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.313 -7.143 -4.688 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.287 -8.151 -5.265 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -9.355 -9.280 -4.736 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.982 -7.811 -6.247 1.00 0.00 O ATOM 0 H ASP A 90 -9.998 -5.236 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.241 -7.054 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.008 -6.448 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.414 -7.661 -4.354 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.097 -5.981 -1.957 1.00 0.00 N ATOM 1420 CA PHE A 91 -6.036 -5.239 -1.283 1.00 0.00 C ATOM 1421 C PHE A 91 -4.954 -4.779 -2.260 1.00 0.00 C ATOM 1422 O PHE A 91 -4.258 -3.798 -2.004 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.419 -6.111 -0.184 1.00 0.00 C ATOM 1424 CG PHE A 91 -4.269 -5.473 0.547 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.415 -4.243 1.168 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -3.041 -6.113 0.617 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -3.360 -3.663 1.846 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.982 -5.539 1.293 1.00 0.00 C ATOM 1429 CZ PHE A 91 -2.141 -4.313 1.910 1.00 0.00 C ATOM 0 H PHE A 91 -7.208 -6.939 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.477 -4.346 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.195 -6.367 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.077 -7.046 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.365 -3.731 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.911 -7.072 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.487 -2.704 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.031 -6.048 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.315 -3.863 2.441 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.816 -5.488 -3.376 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.810 -5.144 -4.380 1.00 0.00 C ATOM 1441 C GLU A 92 -4.233 -3.921 -5.189 1.00 0.00 C ATOM 1442 O GLU A 92 -3.462 -2.977 -5.356 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.565 -6.329 -5.317 1.00 0.00 C ATOM 1444 CG GLU A 92 -3.097 -7.585 -4.601 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.827 -8.733 -5.554 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.786 -9.453 -5.903 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.657 -8.913 -5.950 1.00 0.00 O ATOM 0 H GLU A 92 -5.385 -6.302 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.885 -4.905 -3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.485 -6.551 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.820 -6.046 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.189 -7.362 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.853 -7.889 -3.877 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.453 -3.949 -5.705 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.976 -2.839 -6.491 1.00 0.00 C ATOM 1456 C GLU A 93 -5.947 -1.537 -5.690 1.00 0.00 C ATOM 1457 O GLU A 93 -5.909 -0.444 -6.259 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.407 -3.143 -6.934 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.562 -4.503 -7.598 1.00 0.00 C ATOM 1460 CD GLU A 93 -9.013 -4.888 -7.806 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.808 -4.740 -6.856 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.355 -5.337 -8.921 1.00 0.00 O ATOM 0 H GLU A 93 -6.101 -4.729 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.342 -2.715 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.065 -3.094 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.736 -2.369 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.051 -4.494 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.073 -5.260 -6.985 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.945 -1.661 -4.365 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.944 -0.496 -3.487 1.00 0.00 C ATOM 1471 C PHE A 94 -4.528 -0.011 -3.178 1.00 0.00 C ATOM 1472 O PHE A 94 -4.251 1.187 -3.246 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.684 -0.823 -2.186 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.771 0.334 -1.229 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.248 1.566 -1.648 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.372 0.188 0.090 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.328 2.630 -0.769 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.449 1.248 0.974 1.00 0.00 C ATOM 1479 CZ PHE A 94 -6.928 2.470 0.544 1.00 0.00 C ATOM 0 H PHE A 94 -5.944 -2.557 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.458 0.311 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.692 -1.159 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.181 -1.654 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.561 1.696 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.996 -0.765 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.702 3.585 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.135 1.121 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.990 3.299 1.233 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.637 -0.938 -2.834 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.257 -0.583 -2.503 1.00 0.00 C ATOM 1491 C VAL A 95 -1.584 0.197 -3.628 1.00 0.00 C ATOM 1492 O VAL A 95 -0.750 1.066 -3.373 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.400 -1.823 -2.182 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.762 -2.385 -0.820 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -1.549 -2.879 -3.259 1.00 0.00 C ATOM 0 H VAL A 95 -3.843 -1.935 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.320 0.047 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.355 -1.516 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.146 -3.260 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.587 -1.628 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.814 -2.672 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.934 -3.743 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.593 -3.184 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.227 -2.470 -4.217 1.00 0.00 H new ATOM 1505 N THR A 96 -1.944 -0.113 -4.869 1.00 0.00 N ATOM 1506 CA THR A 96 -1.356 0.559 -6.021 1.00 0.00 C ATOM 1507 C THR A 96 -1.918 1.966 -6.203 1.00 0.00 C ATOM 1508 O THR A 96 -1.166 2.919 -6.415 1.00 0.00 O ATOM 1509 CB THR A 96 -1.589 -0.245 -7.314 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.110 -1.585 -7.150 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.885 0.406 -8.496 1.00 0.00 C ATOM 0 H THR A 96 -2.638 -0.823 -5.102 1.00 0.00 H new ATOM 0 HA THR A 96 -0.286 0.630 -5.826 1.00 0.00 H new ATOM 0 HB THR A 96 -2.660 -0.261 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.759 -2.103 -6.629 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.066 -0.182 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.271 1.415 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.187 0.451 -8.301 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.239 2.093 -6.119 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.894 3.387 -6.287 1.00 0.00 C ATOM 1521 C LEU A 97 -3.365 4.421 -5.295 1.00 0.00 C ATOM 1522 O LEU A 97 -3.513 5.625 -5.507 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.409 3.240 -6.134 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.101 2.479 -7.267 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.570 2.260 -6.942 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.951 3.227 -8.584 1.00 0.00 C ATOM 0 H LEU A 97 -3.876 1.318 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.667 3.742 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.617 2.730 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.850 4.234 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.622 1.505 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.046 1.717 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.657 1.681 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.061 3.224 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.450 2.670 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.403 4.215 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.893 3.332 -8.824 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.750 3.951 -4.214 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.204 4.848 -3.200 1.00 0.00 C ATOM 1540 C LEU A 98 -0.679 4.812 -3.205 1.00 0.00 C ATOM 1541 O LEU A 98 -0.027 5.681 -2.626 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.738 4.476 -1.815 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.301 3.107 -1.291 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.024 3.228 -0.474 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.410 2.477 -0.464 1.00 0.00 C ATOM 0 H LEU A 98 -2.617 2.959 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.523 5.863 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.418 5.238 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.827 4.505 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.098 2.460 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.730 2.243 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.230 3.636 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.196 3.891 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.083 1.503 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.644 3.122 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.299 2.353 -1.082 1.00 0.00 H new