USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=8 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 37:sc= 0.622 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.22! C(o=-0.6!,f=-2.8!) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= -0.659 (180deg=-1.53!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.882 F(o=-5.2!,f=-0.88) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.061) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -156:sc= -0.169 (180deg=-0.783) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.63) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 3.031 1.028 5.141 1.00 0.00 N ATOM 545 CA LEU A 35 2.226 0.026 4.452 1.00 0.00 C ATOM 546 C LEU A 35 1.254 -0.636 5.424 1.00 0.00 C ATOM 547 O LEU A 35 0.169 -1.071 5.037 1.00 0.00 O ATOM 548 CB LEU A 35 3.119 -1.037 3.808 1.00 0.00 C ATOM 549 CG LEU A 35 2.380 -2.055 2.934 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.400 -1.625 1.477 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.989 -3.439 3.095 1.00 0.00 C ATOM 0 HA LEU A 35 1.659 0.528 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.873 -0.538 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.648 -1.573 4.596 1.00 0.00 H new ATOM 0 HG LEU A 35 1.341 -2.098 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.870 -2.361 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.913 -0.655 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.432 -1.549 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.451 -4.149 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.037 -3.412 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.916 -3.750 4.137 1.00 0.00 H new ATOM 563 N GLU A 36 1.655 -0.707 6.690 1.00 0.00 N ATOM 564 CA GLU A 36 0.829 -1.316 7.727 1.00 0.00 C ATOM 565 C GLU A 36 -0.448 -0.509 7.949 1.00 0.00 C ATOM 566 O GLU A 36 -1.481 -1.056 8.336 1.00 0.00 O ATOM 567 CB GLU A 36 1.617 -1.422 9.035 1.00 0.00 C ATOM 568 CG GLU A 36 0.853 -2.105 10.159 1.00 0.00 C ATOM 569 CD GLU A 36 0.516 -3.548 9.841 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.365 -4.427 10.099 1.00 0.00 O ATOM 571 OE2 GLU A 36 -0.598 -3.801 9.334 1.00 0.00 O ATOM 0 H GLU A 36 2.550 -0.349 7.023 1.00 0.00 H new ATOM 0 HA GLU A 36 0.550 -2.317 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.539 -1.972 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.902 -0.421 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.447 -2.067 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.068 -1.555 10.354 1.00 0.00 H new ATOM 578 N GLU A 37 -0.369 0.796 7.698 1.00 0.00 N ATOM 579 CA GLU A 37 -1.516 1.682 7.869 1.00 0.00 C ATOM 580 C GLU A 37 -2.562 1.430 6.787 1.00 0.00 C ATOM 581 O GLU A 37 -3.741 1.735 6.966 1.00 0.00 O ATOM 582 CB GLU A 37 -1.061 3.144 7.834 1.00 0.00 C ATOM 583 CG GLU A 37 -2.188 4.144 8.044 1.00 0.00 C ATOM 584 CD GLU A 37 -1.696 5.578 8.060 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.596 6.183 6.972 1.00 0.00 O ATOM 586 OE2 GLU A 37 -1.412 6.096 9.160 1.00 0.00 O ATOM 0 H GLU A 37 0.479 1.263 7.375 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.970 1.474 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.304 3.297 8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.585 3.344 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.927 4.026 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.692 3.926 8.985 1.00 0.00 H new ATOM 593 N ILE A 38 -2.122 0.869 5.665 1.00 0.00 N ATOM 594 CA ILE A 38 -3.017 0.576 4.551 1.00 0.00 C ATOM 595 C ILE A 38 -4.042 -0.491 4.931 1.00 0.00 C ATOM 596 O ILE A 38 -5.246 -0.296 4.759 1.00 0.00 O ATOM 597 CB ILE A 38 -2.233 0.102 3.312 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.166 1.134 2.936 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.179 -0.143 2.143 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.228 0.668 1.845 1.00 0.00 C ATOM 0 H ILE A 38 -1.149 0.608 5.503 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.537 1.503 4.311 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.737 -0.839 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.658 2.051 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.583 1.381 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.608 -0.477 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.905 -0.909 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.702 0.781 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.500 1.451 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.292 -0.232 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.799 0.449 0.943 1.00 0.00 H new ATOM 612 N ARG A 39 -3.557 -1.617 5.447 1.00 0.00 N ATOM 613 CA ARG A 39 -4.433 -2.713 5.846 1.00 0.00 C ATOM 614 C ARG A 39 -5.387 -2.283 6.951 1.00 0.00 C ATOM 615 O ARG A 39 -6.582 -2.159 6.721 1.00 0.00 O ATOM 616 CB ARG A 39 -3.613 -3.913 6.323 1.00 0.00 C ATOM 617 CG ARG A 39 -2.740 -4.528 5.243 1.00 0.00 C ATOM 618 CD ARG A 39 -1.287 -4.109 5.397 1.00 0.00 C ATOM 619 NE ARG A 39 -0.416 -4.793 4.445 1.00 0.00 N ATOM 620 CZ ARG A 39 0.600 -5.573 4.804 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.866 -5.777 6.087 1.00 0.00 N ATOM 622 NH2 ARG A 39 1.349 -6.156 3.878 1.00 0.00 N ATOM 0 H ARG A 39 -2.564 -1.794 5.598 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.017 -2.999 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.981 -3.602 7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.291 -4.675 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.813 -5.615 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.105 -4.225 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.204 -3.031 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.954 -4.324 6.412 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.597 -4.666 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.290 -5.335 6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.646 -6.376 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.146 -6.006 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.128 -6.754 4.154 1.00 0.00 H new ATOM 636 N GLU A 40 -4.844 -2.030 8.137 1.00 0.00 N ATOM 637 CA GLU A 40 -5.643 -1.634 9.299 1.00 0.00 C ATOM 638 C GLU A 40 -6.785 -0.686 8.922 1.00 0.00 C ATOM 639 O GLU A 40 -7.827 -0.676 9.571 1.00 0.00 O ATOM 640 CB GLU A 40 -4.742 -0.976 10.348 1.00 0.00 C ATOM 641 CG GLU A 40 -5.403 -0.791 11.707 1.00 0.00 C ATOM 642 CD GLU A 40 -6.311 0.423 11.764 1.00 0.00 C ATOM 643 OE1 GLU A 40 -5.811 1.550 11.564 1.00 0.00 O ATOM 644 OE2 GLU A 40 -7.522 0.247 12.013 1.00 0.00 O ATOM 0 H GLU A 40 -3.843 -2.092 8.323 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.093 -2.537 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.844 -1.582 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.421 -0.003 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.982 -1.683 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.631 -0.697 12.471 1.00 0.00 H new ATOM 651 N ALA A 41 -6.596 0.090 7.861 1.00 0.00 N ATOM 652 CA ALA A 41 -7.613 1.041 7.421 1.00 0.00 C ATOM 653 C ALA A 41 -8.854 0.347 6.851 1.00 0.00 C ATOM 654 O ALA A 41 -9.878 0.223 7.526 1.00 0.00 O ATOM 655 CB ALA A 41 -7.025 1.994 6.390 1.00 0.00 C ATOM 0 H ALA A 41 -5.751 0.080 7.290 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.933 1.602 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.791 2.699 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.192 2.540 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.670 1.426 5.530 1.00 0.00 H new ATOM 661 N PHE A 42 -8.754 -0.111 5.607 1.00 0.00 N ATOM 662 CA PHE A 42 -9.875 -0.757 4.931 1.00 0.00 C ATOM 663 C PHE A 42 -10.116 -2.183 5.422 1.00 0.00 C ATOM 664 O PHE A 42 -11.204 -2.731 5.243 1.00 0.00 O ATOM 665 CB PHE A 42 -9.637 -0.746 3.418 1.00 0.00 C ATOM 666 CG PHE A 42 -10.054 0.538 2.751 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.779 1.767 3.335 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.725 0.515 1.539 1.00 0.00 C ATOM 669 CE1 PHE A 42 -10.169 2.944 2.726 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.115 1.690 0.924 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.838 2.905 1.518 1.00 0.00 C ATOM 0 H PHE A 42 -7.905 -0.047 5.045 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.774 -0.189 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.578 -0.919 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.183 -1.574 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.253 1.803 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.946 -0.432 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.951 3.893 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.636 1.657 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.144 3.823 1.039 1.00 0.00 H new ATOM 681 N LYS A 43 -9.108 -2.780 6.044 1.00 0.00 N ATOM 682 CA LYS A 43 -9.224 -4.146 6.548 1.00 0.00 C ATOM 683 C LYS A 43 -10.222 -4.227 7.701 1.00 0.00 C ATOM 684 O LYS A 43 -10.999 -5.178 7.791 1.00 0.00 O ATOM 685 CB LYS A 43 -7.860 -4.676 7.001 1.00 0.00 C ATOM 686 CG LYS A 43 -7.661 -6.157 6.732 1.00 0.00 C ATOM 687 CD LYS A 43 -6.711 -6.388 5.565 1.00 0.00 C ATOM 688 CE LYS A 43 -7.257 -5.803 4.270 1.00 0.00 C ATOM 689 NZ LYS A 43 -8.595 -6.362 3.929 1.00 0.00 N ATOM 0 H LYS A 43 -8.202 -2.343 6.212 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.590 -4.767 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.075 -4.115 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.745 -4.491 8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.266 -6.641 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.623 -6.622 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.744 -5.938 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.543 -7.458 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.329 -4.719 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.560 -6.007 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.564 -6.780 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.852 -7.095 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.305 -5.602 3.951 1.00 0.00 H new ATOM 703 N VAL A 44 -10.204 -3.228 8.585 1.00 0.00 N ATOM 704 CA VAL A 44 -11.116 -3.216 9.724 1.00 0.00 C ATOM 705 C VAL A 44 -12.551 -2.933 9.289 1.00 0.00 C ATOM 706 O VAL A 44 -13.493 -3.495 9.847 1.00 0.00 O ATOM 707 CB VAL A 44 -10.699 -2.190 10.797 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.323 -2.527 11.349 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.729 -0.777 10.238 1.00 0.00 C ATOM 0 H VAL A 44 -9.575 -2.427 8.534 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.063 -4.213 10.162 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.417 -2.240 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.044 -1.793 12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.344 -3.520 11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.592 -2.510 10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.431 -0.072 11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.039 -0.704 9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.738 -0.540 9.901 1.00 0.00 H new ATOM 719 N PHE A 45 -12.721 -2.062 8.292 1.00 0.00 N ATOM 720 CA PHE A 45 -14.060 -1.737 7.802 1.00 0.00 C ATOM 721 C PHE A 45 -14.769 -2.993 7.306 1.00 0.00 C ATOM 722 O PHE A 45 -15.993 -3.014 7.168 1.00 0.00 O ATOM 723 CB PHE A 45 -14.004 -0.685 6.688 1.00 0.00 C ATOM 724 CG PHE A 45 -13.490 0.654 7.145 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.017 1.270 8.271 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.481 1.296 6.447 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.546 2.499 8.689 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.006 2.527 6.860 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.539 3.128 7.984 1.00 0.00 C ATOM 0 H PHE A 45 -11.961 -1.576 7.815 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.626 -1.319 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.367 -1.054 5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.003 -0.558 6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.804 0.783 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.060 0.829 5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.965 2.968 9.567 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.220 3.018 6.305 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.169 4.088 8.311 1.00 0.00 H new ATOM 739 N ASP A 46 -13.992 -4.039 7.042 1.00 0.00 N ATOM 740 CA ASP A 46 -14.544 -5.305 6.575 1.00 0.00 C ATOM 741 C ASP A 46 -15.226 -6.037 7.727 1.00 0.00 C ATOM 742 O ASP A 46 -14.566 -6.671 8.551 1.00 0.00 O ATOM 743 CB ASP A 46 -13.437 -6.178 5.976 1.00 0.00 C ATOM 744 CG ASP A 46 -13.981 -7.293 5.107 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.011 -7.892 5.483 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.377 -7.571 4.050 1.00 0.00 O ATOM 0 H ASP A 46 -12.977 -4.034 7.144 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.284 -5.100 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.768 -5.554 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.842 -6.608 6.782 1.00 0.00 H new ATOM 751 N ARG A 47 -16.550 -5.943 7.779 1.00 0.00 N ATOM 752 CA ARG A 47 -17.325 -6.579 8.840 1.00 0.00 C ATOM 753 C ARG A 47 -17.265 -8.103 8.752 1.00 0.00 C ATOM 754 O ARG A 47 -17.207 -8.787 9.775 1.00 0.00 O ATOM 755 CB ARG A 47 -18.780 -6.110 8.782 1.00 0.00 C ATOM 756 CG ARG A 47 -18.930 -4.597 8.795 1.00 0.00 C ATOM 757 CD ARG A 47 -20.370 -4.182 9.048 1.00 0.00 C ATOM 758 NE ARG A 47 -21.284 -4.724 8.046 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.575 -4.412 7.979 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.101 -3.559 8.849 1.00 0.00 N ATOM 761 NH2 ARG A 47 -23.341 -4.952 7.041 1.00 0.00 N ATOM 0 H ARG A 47 -17.111 -5.432 7.098 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.884 -6.283 9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.245 -6.506 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.322 -6.528 9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.287 -4.173 9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.595 -4.189 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.676 -4.521 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.438 -3.094 9.049 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.911 -5.379 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.515 -3.141 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.092 -3.322 8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.940 -5.607 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.331 -4.712 6.990 1.00 0.00 H new ATOM 775 N ASP A 48 -17.282 -8.631 7.532 1.00 0.00 N ATOM 776 CA ASP A 48 -17.236 -10.078 7.329 1.00 0.00 C ATOM 777 C ASP A 48 -15.821 -10.619 7.507 1.00 0.00 C ATOM 778 O ASP A 48 -15.623 -11.823 7.674 1.00 0.00 O ATOM 779 CB ASP A 48 -17.755 -10.433 5.934 1.00 0.00 C ATOM 780 CG ASP A 48 -19.147 -9.891 5.680 1.00 0.00 C ATOM 781 OD1 ASP A 48 -20.126 -10.586 6.025 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.256 -8.771 5.137 1.00 0.00 O ATOM 0 H ASP A 48 -17.327 -8.084 6.672 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.875 -10.540 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.071 -10.037 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.763 -11.517 5.817 1.00 0.00 H new ATOM 787 N GLY A 49 -14.841 -9.720 7.472 1.00 0.00 N ATOM 788 CA GLY A 49 -13.453 -10.116 7.639 1.00 0.00 C ATOM 789 C GLY A 49 -13.013 -11.179 6.650 1.00 0.00 C ATOM 790 O GLY A 49 -12.025 -11.876 6.883 1.00 0.00 O ATOM 0 H GLY A 49 -14.984 -8.720 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.816 -9.239 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.308 -10.489 8.653 1.00 0.00 H new ATOM 794 N ASN A 50 -13.740 -11.306 5.542 1.00 0.00 N ATOM 795 CA ASN A 50 -13.405 -12.295 4.522 1.00 0.00 C ATOM 796 C ASN A 50 -12.241 -11.819 3.658 1.00 0.00 C ATOM 797 O ASN A 50 -11.777 -12.540 2.774 1.00 0.00 O ATOM 798 CB ASN A 50 -14.622 -12.601 3.643 1.00 0.00 C ATOM 799 CG ASN A 50 -15.457 -11.370 3.344 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.811 -10.212 3.274 1.00 0.00 O flip ATOM 801 ND2 ASN A 50 -16.673 -11.459 3.175 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.561 -10.739 5.329 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.103 -13.209 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.285 -13.042 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.245 -13.345 4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.131 -12.368 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -17.222 -10.624 2.973 1.00 0.00 H new ATOM 808 N GLY A 51 -11.774 -10.602 3.919 1.00 0.00 N ATOM 809 CA GLY A 51 -10.662 -10.055 3.161 1.00 0.00 C ATOM 810 C GLY A 51 -11.110 -9.126 2.049 1.00 0.00 C ATOM 811 O GLY A 51 -10.330 -8.303 1.570 1.00 0.00 O ATOM 0 H GLY A 51 -12.145 -9.985 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.999 -9.513 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.082 -10.873 2.734 1.00 0.00 H new ATOM 815 N PHE A 52 -12.368 -9.257 1.637 1.00 0.00 N ATOM 816 CA PHE A 52 -12.912 -8.422 0.572 1.00 0.00 C ATOM 817 C PHE A 52 -13.985 -7.485 1.118 1.00 0.00 C ATOM 818 O PHE A 52 -14.889 -7.912 1.835 1.00 0.00 O ATOM 819 CB PHE A 52 -13.493 -9.292 -0.545 1.00 0.00 C ATOM 820 CG PHE A 52 -12.716 -10.555 -0.787 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.642 -10.566 -1.662 1.00 0.00 C ATOM 822 CD2 PHE A 52 -13.059 -11.728 -0.137 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.924 -11.727 -1.886 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.346 -12.891 -0.355 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.277 -12.891 -1.231 1.00 0.00 C ATOM 0 H PHE A 52 -13.028 -9.932 2.024 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.101 -7.820 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.522 -9.550 -0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.525 -8.712 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.362 -9.658 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.894 -11.734 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.089 -11.723 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.624 -13.799 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.719 -13.799 -1.403 1.00 0.00 H new ATOM 835 N ILE A 53 -13.881 -6.207 0.772 1.00 0.00 N ATOM 836 CA ILE A 53 -14.836 -5.210 1.236 1.00 0.00 C ATOM 837 C ILE A 53 -15.937 -4.970 0.206 1.00 0.00 C ATOM 838 O ILE A 53 -15.685 -4.443 -0.878 1.00 0.00 O ATOM 839 CB ILE A 53 -14.128 -3.878 1.550 1.00 0.00 C ATOM 840 CG1 ILE A 53 -13.019 -4.105 2.579 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.126 -2.848 2.061 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.773 -3.292 2.313 1.00 0.00 C ATOM 0 H ILE A 53 -13.144 -5.838 0.171 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.291 -5.599 2.147 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.683 -3.494 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.399 -3.859 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.757 -5.163 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.607 -1.914 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.888 -2.672 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.599 -3.219 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.030 -3.503 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.369 -3.555 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.021 -2.231 2.330 1.00 0.00 H new ATOM 854 N SER A 54 -17.160 -5.363 0.557 1.00 0.00 N ATOM 855 CA SER A 54 -18.307 -5.193 -0.328 1.00 0.00 C ATOM 856 C SER A 54 -18.724 -3.729 -0.403 1.00 0.00 C ATOM 857 O SER A 54 -18.101 -2.871 0.219 1.00 0.00 O ATOM 858 CB SER A 54 -19.484 -6.041 0.160 1.00 0.00 C ATOM 859 OG SER A 54 -19.220 -7.423 -0.006 1.00 0.00 O ATOM 0 H SER A 54 -17.381 -5.802 1.451 1.00 0.00 H new ATOM 0 HA SER A 54 -18.015 -5.523 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.678 -5.828 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.384 -5.771 -0.392 1.00 0.00 H new ATOM 0 HG SER A 54 -18.275 -7.600 0.183 1.00 0.00 H new ATOM 865 N LYS A 55 -19.774 -3.446 -1.168 1.00 0.00 N ATOM 866 CA LYS A 55 -20.265 -2.080 -1.313 1.00 0.00 C ATOM 867 C LYS A 55 -20.804 -1.548 0.013 1.00 0.00 C ATOM 868 O LYS A 55 -20.434 -0.460 0.452 1.00 0.00 O ATOM 869 CB LYS A 55 -21.362 -2.016 -2.382 1.00 0.00 C ATOM 870 CG LYS A 55 -20.874 -2.343 -3.787 1.00 0.00 C ATOM 871 CD LYS A 55 -20.845 -3.843 -4.046 1.00 0.00 C ATOM 872 CE LYS A 55 -22.245 -4.437 -4.073 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.221 -5.909 -4.301 1.00 0.00 N ATOM 0 H LYS A 55 -20.300 -4.143 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.427 -1.455 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.158 -2.710 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.797 -1.017 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.524 -1.861 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.875 -1.931 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.348 -4.039 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.256 -4.335 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.748 -4.224 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.827 -3.957 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.195 -6.274 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.764 -6.112 -5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.687 -6.370 -3.537 1.00 0.00 H new ATOM 887 N GLN A 56 -21.679 -2.327 0.646 1.00 0.00 N ATOM 888 CA GLN A 56 -22.277 -1.936 1.920 1.00 0.00 C ATOM 889 C GLN A 56 -21.207 -1.676 2.974 1.00 0.00 C ATOM 890 O GLN A 56 -21.364 -0.803 3.828 1.00 0.00 O ATOM 891 CB GLN A 56 -23.237 -3.022 2.408 1.00 0.00 C ATOM 892 CG GLN A 56 -24.398 -3.278 1.461 1.00 0.00 C ATOM 893 CD GLN A 56 -25.253 -2.046 1.241 1.00 0.00 C ATOM 894 OE1 GLN A 56 -26.222 -1.812 1.964 1.00 0.00 O ATOM 895 NE2 GLN A 56 -24.900 -1.250 0.238 1.00 0.00 N ATOM 0 H GLN A 56 -21.990 -3.234 0.297 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.831 -1.011 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.682 -3.950 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.631 -2.736 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.011 -3.623 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -25.019 -4.080 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -24.090 -1.482 -0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.439 -0.407 0.042 1.00 0.00 H new ATOM 904 N GLU A 57 -20.120 -2.438 2.910 1.00 0.00 N ATOM 905 CA GLU A 57 -19.022 -2.289 3.857 1.00 0.00 C ATOM 906 C GLU A 57 -18.203 -1.042 3.537 1.00 0.00 C ATOM 907 O GLU A 57 -17.886 -0.243 4.422 1.00 0.00 O ATOM 908 CB GLU A 57 -18.129 -3.530 3.820 1.00 0.00 C ATOM 909 CG GLU A 57 -18.841 -4.803 4.247 1.00 0.00 C ATOM 910 CD GLU A 57 -17.961 -6.031 4.128 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.164 -6.283 5.056 1.00 0.00 O ATOM 912 OE2 GLU A 57 -18.068 -6.740 3.105 1.00 0.00 O ATOM 0 H GLU A 57 -19.976 -3.166 2.210 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.438 -2.180 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.744 -3.660 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.269 -3.369 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.176 -4.699 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.733 -4.939 3.635 1.00 0.00 H new ATOM 919 N LEU A 58 -17.861 -0.888 2.265 1.00 0.00 N ATOM 920 CA LEU A 58 -17.086 0.258 1.811 1.00 0.00 C ATOM 921 C LEU A 58 -17.837 1.553 2.113 1.00 0.00 C ATOM 922 O LEU A 58 -17.232 2.606 2.308 1.00 0.00 O ATOM 923 CB LEU A 58 -16.810 0.132 0.306 1.00 0.00 C ATOM 924 CG LEU A 58 -15.600 0.908 -0.234 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.912 2.391 -0.356 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.378 0.689 0.646 1.00 0.00 C ATOM 0 H LEU A 58 -18.110 -1.546 1.526 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.134 0.282 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.671 -0.923 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.697 0.464 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.377 0.526 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.038 2.916 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.750 2.532 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.173 2.790 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.534 1.249 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.592 1.033 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.131 -0.373 0.669 1.00 0.00 H new ATOM 938 N GLY A 59 -19.164 1.458 2.166 1.00 0.00 N ATOM 939 CA GLY A 59 -19.981 2.623 2.451 1.00 0.00 C ATOM 940 C GLY A 59 -19.704 3.180 3.832 1.00 0.00 C ATOM 941 O GLY A 59 -20.008 4.339 4.118 1.00 0.00 O ATOM 0 H GLY A 59 -19.686 0.595 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.790 3.393 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.035 2.356 2.371 1.00 0.00 H new ATOM 945 N THR A 60 -19.124 2.345 4.689 1.00 0.00 N ATOM 946 CA THR A 60 -18.786 2.746 6.046 1.00 0.00 C ATOM 947 C THR A 60 -17.436 3.451 6.065 1.00 0.00 C ATOM 948 O THR A 60 -17.196 4.342 6.880 1.00 0.00 O ATOM 949 CB THR A 60 -18.740 1.532 6.995 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.005 0.861 6.992 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.394 1.960 8.414 1.00 0.00 C ATOM 0 H THR A 60 -18.878 1.381 4.463 1.00 0.00 H new ATOM 0 HA THR A 60 -19.563 3.428 6.392 1.00 0.00 H new ATOM 0 HB THR A 60 -17.965 0.854 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 60 -19.968 0.090 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.368 1.084 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.418 2.445 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.148 2.658 8.777 1.00 0.00 H new ATOM 959 N ALA A 61 -16.557 3.041 5.156 1.00 0.00 N ATOM 960 CA ALA A 61 -15.229 3.633 5.051 1.00 0.00 C ATOM 961 C ALA A 61 -15.310 5.092 4.608 1.00 0.00 C ATOM 962 O ALA A 61 -14.698 5.971 5.214 1.00 0.00 O ATOM 963 CB ALA A 61 -14.374 2.835 4.079 1.00 0.00 C ATOM 0 H ALA A 61 -16.742 2.299 4.480 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.767 3.605 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.385 3.287 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.280 1.809 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.844 2.836 3.095 1.00 0.00 H new ATOM 969 N MET A 62 -16.069 5.337 3.544 1.00 0.00 N ATOM 970 CA MET A 62 -16.233 6.685 3.007 1.00 0.00 C ATOM 971 C MET A 62 -16.847 7.630 4.039 1.00 0.00 C ATOM 972 O MET A 62 -16.306 8.702 4.309 1.00 0.00 O ATOM 973 CB MET A 62 -17.108 6.648 1.753 1.00 0.00 C ATOM 974 CG MET A 62 -16.517 5.822 0.621 1.00 0.00 C ATOM 975 SD MET A 62 -15.078 6.604 -0.133 1.00 0.00 S ATOM 976 CE MET A 62 -15.821 8.071 -0.843 1.00 0.00 C ATOM 0 H MET A 62 -16.582 4.617 3.035 1.00 0.00 H new ATOM 0 HA MET A 62 -15.243 7.063 2.751 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.086 6.243 2.014 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.268 7.667 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.234 4.841 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.279 5.660 -0.142 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.206 8.426 -1.670 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.819 7.832 -1.210 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.890 8.848 -0.082 1.00 0.00 H new ATOM 986 N ARG A 63 -17.979 7.228 4.613 1.00 0.00 N ATOM 987 CA ARG A 63 -18.668 8.051 5.606 1.00 0.00 C ATOM 988 C ARG A 63 -17.768 8.344 6.804 1.00 0.00 C ATOM 989 O ARG A 63 -17.912 9.377 7.458 1.00 0.00 O ATOM 990 CB ARG A 63 -19.953 7.366 6.074 1.00 0.00 C ATOM 991 CG ARG A 63 -19.714 6.073 6.836 1.00 0.00 C ATOM 992 CD ARG A 63 -21.015 5.490 7.365 1.00 0.00 C ATOM 993 NE ARG A 63 -21.702 6.414 8.263 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.927 6.208 8.740 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.599 5.116 8.400 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.481 7.093 9.557 1.00 0.00 N ATOM 0 H ARG A 63 -18.438 6.340 4.409 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.923 8.998 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.510 8.054 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.579 7.156 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.229 5.348 6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.033 6.259 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.669 5.244 6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.807 4.559 7.892 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.215 7.266 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.177 4.432 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.538 4.960 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.968 7.934 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.420 6.933 9.921 1.00 0.00 H new ATOM 1010 N SER A 64 -16.848 7.428 7.091 1.00 0.00 N ATOM 1011 CA SER A 64 -15.925 7.598 8.210 1.00 0.00 C ATOM 1012 C SER A 64 -15.157 8.909 8.083 1.00 0.00 C ATOM 1013 O SER A 64 -14.912 9.595 9.076 1.00 0.00 O ATOM 1014 CB SER A 64 -14.947 6.424 8.279 1.00 0.00 C ATOM 1015 OG SER A 64 -14.063 6.560 9.379 1.00 0.00 O ATOM 0 H SER A 64 -16.721 6.563 6.566 1.00 0.00 H new ATOM 0 HA SER A 64 -16.509 7.626 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.501 5.490 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.375 6.369 7.353 1.00 0.00 H new ATOM 0 HG SER A 64 -13.449 5.796 9.402 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.778 9.250 6.856 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.040 10.479 6.594 1.00 0.00 C ATOM 1023 C LEU A 65 -14.972 11.688 6.617 1.00 0.00 C ATOM 1024 O LEU A 65 -14.524 12.828 6.748 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.334 10.392 5.239 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.597 9.076 4.972 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.005 9.071 3.572 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.510 8.849 6.013 1.00 0.00 C ATOM 0 H LEU A 65 -14.971 8.690 6.025 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.294 10.602 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.073 10.543 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.619 11.212 5.166 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.316 8.260 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.485 8.128 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.804 9.184 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.301 9.897 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.998 7.909 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.793 9.669 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.960 8.806 7.005 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.269 11.428 6.488 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.247 12.500 6.494 1.00 0.00 C ATOM 1042 C GLY A 66 -17.996 12.606 5.180 1.00 0.00 C ATOM 1043 O GLY A 66 -18.663 13.607 4.917 1.00 0.00 O ATOM 0 H GLY A 66 -16.661 10.492 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.959 12.334 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.745 13.445 6.700 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.886 11.570 4.354 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.555 11.546 3.058 1.00 0.00 C ATOM 1049 C TYR A 67 -19.543 10.386 2.979 1.00 0.00 C ATOM 1050 O TYR A 67 -19.183 9.282 2.573 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.527 11.429 1.931 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.442 12.481 1.988 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.612 13.718 1.380 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.246 12.234 2.651 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.621 14.679 1.431 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.251 13.190 2.707 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.442 14.410 2.096 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.452 15.365 2.149 1.00 0.00 O ATOM 0 H TYR A 67 -17.339 10.734 4.560 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.105 12.480 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.067 10.442 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.041 11.501 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.534 13.932 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.092 11.279 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.768 15.636 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.328 12.982 3.227 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.689 15.017 2.655 1.00 0.00 H new ATOM 1068 N MET A 68 -20.788 10.644 3.366 1.00 0.00 N ATOM 1069 CA MET A 68 -21.827 9.621 3.340 1.00 0.00 C ATOM 1070 C MET A 68 -22.242 9.303 1.901 1.00 0.00 C ATOM 1071 O MET A 68 -22.837 10.143 1.226 1.00 0.00 O ATOM 1072 CB MET A 68 -23.042 10.085 4.150 1.00 0.00 C ATOM 1073 CG MET A 68 -24.105 9.012 4.338 1.00 0.00 C ATOM 1074 SD MET A 68 -25.121 8.765 2.868 1.00 0.00 S ATOM 1075 CE MET A 68 -26.214 7.460 3.427 1.00 0.00 C ATOM 0 H MET A 68 -21.102 11.554 3.702 1.00 0.00 H new ATOM 0 HA MET A 68 -21.426 8.712 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.705 10.424 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.491 10.944 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.622 8.071 4.602 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.747 9.286 5.175 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.905 7.196 2.626 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.625 6.585 3.702 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.778 7.804 4.294 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.932 8.086 1.409 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.281 7.673 0.052 1.00 0.00 C ATOM 1087 C PRO A 69 -23.674 7.056 -0.027 1.00 0.00 C ATOM 1088 O PRO A 69 -24.046 6.233 0.810 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.216 6.627 -0.252 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.945 5.975 1.062 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.212 7.014 2.127 1.00 0.00 C ATOM 0 HA PRO A 69 -22.307 8.508 -0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.568 5.904 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.315 7.085 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.586 5.105 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.915 5.624 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.812 6.606 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.285 7.381 2.567 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.439 7.457 -1.037 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.790 6.941 -1.222 1.00 0.00 C ATOM 1101 C ASN A 70 -25.759 5.524 -1.782 1.00 0.00 C ATOM 1102 O ASN A 70 -24.692 4.994 -2.092 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.590 7.853 -2.153 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.748 9.253 -1.592 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -27.710 9.544 -0.881 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -25.800 10.128 -1.910 1.00 0.00 N ATOM 0 H ASN A 70 -24.147 8.137 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.277 6.917 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.092 7.906 -3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.575 7.419 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.852 11.085 -1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -25.020 9.842 -2.503 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.933 4.915 -1.910 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.036 3.557 -2.432 1.00 0.00 C ATOM 1115 C GLU A 71 -26.487 3.477 -3.854 1.00 0.00 C ATOM 1116 O GLU A 71 -25.982 2.438 -4.278 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.493 3.087 -2.405 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.441 3.995 -3.171 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.864 3.471 -3.185 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.630 3.806 -2.257 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.211 2.724 -4.125 1.00 0.00 O ATOM 0 H GLU A 71 -27.826 5.340 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.440 2.903 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.549 2.082 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.825 3.020 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.428 4.989 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.087 4.102 -4.196 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.586 4.584 -4.584 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.099 4.638 -5.958 1.00 0.00 C ATOM 1130 C VAL A 72 -24.628 5.042 -6.005 1.00 0.00 C ATOM 1131 O VAL A 72 -23.918 4.730 -6.962 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.924 5.627 -6.807 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.790 7.043 -6.270 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -26.501 5.561 -8.267 1.00 0.00 C ATOM 0 H VAL A 72 -26.998 5.454 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.209 3.636 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.973 5.339 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.380 7.723 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.150 7.078 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -25.743 7.345 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -27.094 6.266 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -25.445 5.818 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.660 4.552 -8.647 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.175 5.732 -4.963 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.789 6.183 -4.889 1.00 0.00 C ATOM 1146 C GLU A 73 -21.835 5.014 -4.666 1.00 0.00 C ATOM 1147 O GLU A 73 -20.883 4.829 -5.422 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.623 7.212 -3.769 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.418 8.488 -3.995 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.033 9.195 -5.280 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.646 8.898 -6.327 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.119 10.046 -5.241 1.00 0.00 O ATOM 0 H GLU A 73 -24.747 5.991 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.540 6.648 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.932 6.763 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.567 7.464 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.481 8.250 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.263 9.162 -3.153 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.093 4.226 -3.627 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.244 3.081 -3.308 1.00 0.00 C ATOM 1161 C LEU A 74 -21.138 2.116 -4.488 1.00 0.00 C ATOM 1162 O LEU A 74 -20.274 1.242 -4.507 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.771 2.353 -2.068 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.282 2.118 -2.033 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.669 0.939 -2.913 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.749 1.891 -0.603 1.00 0.00 C ATOM 0 H LEU A 74 -22.881 4.358 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.244 3.459 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.269 1.388 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.490 2.927 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.775 3.008 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.748 0.792 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.370 1.139 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.167 0.039 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.826 1.725 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.244 1.018 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.512 2.767 0.001 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.019 2.279 -5.470 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.012 1.424 -6.652 1.00 0.00 C ATOM 1180 C GLU A 75 -21.034 1.945 -7.703 1.00 0.00 C ATOM 1181 O GLU A 75 -20.415 1.164 -8.425 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.416 1.329 -7.256 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.404 0.558 -6.396 1.00 0.00 C ATOM 1184 CD GLU A 75 -24.000 -0.890 -6.200 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.136 -1.680 -7.158 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.548 -1.235 -5.088 1.00 0.00 O ATOM 0 H GLU A 75 -22.746 2.994 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.689 0.431 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.800 2.336 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.349 0.851 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.489 1.043 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.390 0.597 -6.859 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.898 3.268 -7.783 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.999 3.882 -8.756 1.00 0.00 C ATOM 1195 C VAL A 76 -18.578 3.998 -8.212 1.00 0.00 C ATOM 1196 O VAL A 76 -17.612 4.019 -8.975 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.494 5.277 -9.192 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.869 5.179 -9.836 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.523 6.237 -8.012 1.00 0.00 C ATOM 0 H VAL A 76 -21.396 3.931 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.993 3.225 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.794 5.669 -9.930 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.201 6.172 -10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.815 4.533 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.577 4.761 -9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.875 7.213 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.195 5.851 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.519 6.336 -7.598 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.454 4.082 -6.893 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.149 4.193 -6.253 1.00 0.00 C ATOM 1211 C ILE A 77 -16.479 2.826 -6.132 1.00 0.00 C ATOM 1212 O ILE A 77 -15.253 2.725 -6.069 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.273 4.835 -4.857 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.901 6.223 -4.977 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.912 4.921 -4.180 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.898 6.530 -3.885 1.00 0.00 C ATOM 0 H ILE A 77 -19.242 4.075 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.530 4.833 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.917 4.208 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.111 6.973 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.396 6.306 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.023 5.377 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.496 3.919 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.241 5.528 -4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.303 7.531 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.708 5.802 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.403 6.479 -2.915 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.293 1.775 -6.105 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.783 0.413 -5.987 1.00 0.00 C ATOM 1230 C ILE A 78 -16.387 -0.161 -7.347 1.00 0.00 C ATOM 1231 O ILE A 78 -15.532 -1.043 -7.426 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.823 -0.514 -5.307 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.766 -0.344 -3.785 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.605 -1.974 -5.691 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.475 -0.836 -3.162 1.00 0.00 C ATOM 0 H ILE A 78 -18.309 1.841 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.890 0.460 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.813 -0.225 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.897 0.710 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.602 -0.881 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.351 -2.596 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.699 -2.084 -6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.608 -2.287 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.510 -0.682 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.351 -1.898 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.635 -0.282 -3.581 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.987 0.353 -8.418 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.684 -0.136 -9.759 1.00 0.00 C ATOM 1249 C GLN A 79 -15.358 0.431 -10.256 1.00 0.00 C ATOM 1250 O GLN A 79 -14.769 -0.086 -11.206 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.809 0.224 -10.732 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.008 1.719 -10.910 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.065 2.049 -11.945 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.014 1.290 -12.145 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.905 3.187 -12.612 1.00 0.00 N ATOM 0 H GLN A 79 -17.680 1.101 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.599 -1.222 -9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.595 -0.223 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.740 -0.218 -10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.291 2.160 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.063 2.175 -11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.103 3.786 -12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.584 3.462 -13.322 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.895 1.497 -9.608 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.636 2.132 -9.979 1.00 0.00 C ATOM 1266 C ARG A 80 -12.454 1.289 -9.518 1.00 0.00 C ATOM 1267 O ARG A 80 -11.486 1.097 -10.255 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.540 3.531 -9.364 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.592 4.501 -9.876 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.372 4.841 -11.341 1.00 0.00 C ATOM 1271 NE ARG A 80 -13.062 5.448 -11.571 1.00 0.00 N ATOM 1272 CZ ARG A 80 -12.669 5.932 -12.744 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.484 5.892 -13.790 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -11.459 6.460 -12.872 1.00 0.00 N ATOM 0 H ARG A 80 -15.374 1.938 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.608 2.217 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.632 3.448 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.551 3.941 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.583 4.065 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.566 5.414 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.462 3.935 -11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.152 5.525 -11.676 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.413 5.503 -10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.416 5.489 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.179 6.265 -14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.830 6.494 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.157 6.832 -13.773 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.542 0.788 -8.291 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.484 -0.036 -7.721 1.00 0.00 C ATOM 1290 C LEU A 81 -11.611 -1.479 -8.198 1.00 0.00 C ATOM 1291 O LEU A 81 -10.613 -2.140 -8.485 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.538 0.016 -6.192 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.933 1.371 -5.595 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.899 1.313 -4.075 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -11.021 2.479 -6.105 1.00 0.00 C ATOM 0 H LEU A 81 -13.338 0.939 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.524 0.358 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.247 -0.736 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.560 -0.263 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.951 1.597 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.182 2.283 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.598 0.554 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.892 1.060 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.323 3.430 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.991 2.261 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.096 2.541 -7.191 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.849 -1.958 -8.277 1.00 0.00 N ATOM 1308 CA ASP A 82 -13.124 -3.321 -8.721 1.00 0.00 C ATOM 1309 C ASP A 82 -12.820 -3.477 -10.210 1.00 0.00 C ATOM 1310 O ASP A 82 -13.716 -3.381 -11.050 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.586 -3.674 -8.438 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.924 -5.104 -8.802 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -14.038 -5.976 -8.671 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -16.077 -5.355 -9.208 1.00 0.00 O ATOM 0 H ASP A 82 -13.682 -1.419 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.478 -4.004 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.796 -3.514 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.233 -2.999 -8.997 1.00 0.00 H new ATOM 1319 N MET A 83 -11.551 -3.717 -10.527 1.00 0.00 N ATOM 1320 CA MET A 83 -11.121 -3.878 -11.912 1.00 0.00 C ATOM 1321 C MET A 83 -11.474 -5.262 -12.455 1.00 0.00 C ATOM 1322 O MET A 83 -11.997 -5.386 -13.563 1.00 0.00 O ATOM 1323 CB MET A 83 -9.612 -3.648 -12.030 1.00 0.00 C ATOM 1324 CG MET A 83 -9.154 -2.313 -11.465 1.00 0.00 C ATOM 1325 SD MET A 83 -7.399 -2.005 -11.748 1.00 0.00 S ATOM 1326 CE MET A 83 -7.203 -0.416 -10.947 1.00 0.00 C ATOM 0 H MET A 83 -10.801 -3.804 -9.841 1.00 0.00 H new ATOM 0 HA MET A 83 -11.651 -3.135 -12.507 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.089 -4.451 -11.511 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.325 -3.706 -13.080 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.737 -1.512 -11.918 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.355 -2.288 -10.394 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.167 -0.089 -11.036 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.857 0.315 -11.423 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.466 -0.505 -9.893 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.187 -6.298 -11.673 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.468 -7.669 -12.090 1.00 0.00 C ATOM 1338 C ASP A 84 -12.971 -7.936 -12.149 1.00 0.00 C ATOM 1339 O ASP A 84 -13.421 -8.864 -12.822 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.784 -8.666 -11.152 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.219 -8.503 -9.709 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.030 -7.401 -9.151 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.741 -9.479 -9.136 1.00 0.00 O ATOM 0 H ASP A 84 -10.761 -6.216 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.066 -7.800 -13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.006 -9.681 -11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.703 -8.539 -11.218 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.741 -7.116 -11.439 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.187 -7.267 -11.436 1.00 0.00 C ATOM 1350 C GLY A 85 -15.674 -8.396 -10.546 1.00 0.00 C ATOM 1351 O GLY A 85 -16.574 -9.145 -10.927 1.00 0.00 O ATOM 0 H GLY A 85 -13.390 -6.349 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.642 -6.333 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.528 -7.445 -12.456 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.088 -8.521 -9.359 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.484 -9.569 -8.423 1.00 0.00 C ATOM 1357 C ASP A 86 -16.590 -9.086 -7.491 1.00 0.00 C ATOM 1358 O ASP A 86 -17.170 -9.874 -6.743 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.282 -10.039 -7.603 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.730 -8.949 -6.707 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.987 -8.083 -7.213 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.039 -8.963 -5.497 1.00 0.00 O ATOM 0 H ASP A 86 -14.341 -7.913 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.866 -10.407 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.574 -10.894 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.498 -10.382 -8.278 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.881 -7.788 -7.538 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.916 -7.231 -6.687 1.00 0.00 C ATOM 1369 C GLY A 87 -17.351 -6.560 -5.450 1.00 0.00 C ATOM 1370 O GLY A 87 -17.956 -5.636 -4.905 1.00 0.00 O ATOM 0 H GLY A 87 -16.419 -7.115 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.499 -6.506 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.600 -8.024 -6.386 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.188 -7.026 -5.008 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.535 -6.470 -3.828 1.00 0.00 C ATOM 1376 C GLN A 88 -14.134 -5.968 -4.166 1.00 0.00 C ATOM 1377 O GLN A 88 -13.559 -6.346 -5.187 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.467 -7.525 -2.723 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.833 -8.023 -2.278 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.745 -9.086 -1.200 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.739 -8.778 -0.009 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.675 -10.345 -1.614 1.00 0.00 N ATOM 0 H GLN A 88 -15.677 -7.790 -5.450 1.00 0.00 H new ATOM 0 HA GLN A 88 -16.123 -5.622 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.877 -8.371 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.943 -7.107 -1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.419 -7.182 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.366 -8.427 -3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.683 -10.555 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.613 -11.103 -0.934 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.591 -5.111 -3.306 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.260 -4.552 -3.518 1.00 0.00 C ATOM 1393 C VAL A 89 -11.195 -5.349 -2.770 1.00 0.00 C ATOM 1394 O VAL A 89 -11.319 -5.594 -1.569 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.193 -3.080 -3.070 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.810 -2.502 -3.324 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.260 -2.259 -3.777 1.00 0.00 C ATOM 0 H VAL A 89 -14.053 -4.789 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.063 -4.610 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.384 -3.039 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.785 -1.462 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.069 -3.073 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.583 -2.556 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.198 -1.222 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.103 -2.308 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.245 -2.658 -3.536 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.152 -5.750 -3.490 1.00 0.00 N ATOM 1408 CA ASP A 90 -9.060 -6.518 -2.900 1.00 0.00 C ATOM 1409 C ASP A 90 -7.927 -5.601 -2.441 1.00 0.00 C ATOM 1410 O ASP A 90 -7.726 -4.523 -3.002 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.530 -7.543 -3.904 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.435 -8.413 -3.320 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.767 -9.435 -2.683 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -6.246 -8.074 -3.502 1.00 0.00 O ATOM 0 H ASP A 90 -10.040 -5.556 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.450 -7.042 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.351 -8.175 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.147 -7.023 -4.782 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.197 -6.035 -1.418 1.00 0.00 N ATOM 1420 CA PHE A 91 -6.087 -5.257 -0.874 1.00 0.00 C ATOM 1421 C PHE A 91 -5.143 -4.777 -1.977 1.00 0.00 C ATOM 1422 O PHE A 91 -4.874 -3.583 -2.095 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.310 -6.090 0.150 1.00 0.00 C ATOM 1424 CG PHE A 91 -4.006 -5.472 0.574 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.985 -4.287 1.293 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.801 -6.078 0.255 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.788 -3.718 1.682 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.601 -5.514 0.642 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.594 -4.333 1.357 1.00 0.00 C ATOM 0 H PHE A 91 -7.355 -6.926 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.507 -4.379 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.934 -6.239 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.114 -7.076 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.915 -3.803 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.800 -7.003 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.785 -2.793 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.669 -5.996 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.657 -3.891 1.662 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.653 -5.717 -2.778 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.727 -5.407 -3.866 1.00 0.00 C ATOM 1441 C GLU A 92 -4.208 -4.226 -4.710 1.00 0.00 C ATOM 1442 O GLU A 92 -3.520 -3.212 -4.820 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.535 -6.637 -4.754 1.00 0.00 C ATOM 1444 CG GLU A 92 -3.002 -7.848 -4.006 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.856 -9.066 -4.897 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.839 -9.823 -5.032 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.757 -9.262 -5.457 1.00 0.00 O ATOM 0 H GLU A 92 -4.883 -6.707 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.775 -5.124 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.489 -6.895 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.848 -6.388 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.034 -7.604 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.673 -8.085 -3.180 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.386 -4.365 -5.309 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.951 -3.312 -6.150 1.00 0.00 C ATOM 1456 C GLU A 93 -5.902 -1.946 -5.465 1.00 0.00 C ATOM 1457 O GLU A 93 -5.731 -0.919 -6.121 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.396 -3.656 -6.516 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.527 -4.936 -7.323 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.972 -5.342 -7.541 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.608 -4.798 -8.467 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.466 -6.204 -6.783 1.00 0.00 O ATOM 0 H GLU A 93 -5.970 -5.197 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.345 -3.252 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.982 -3.751 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.825 -2.831 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.041 -4.803 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.001 -5.741 -6.809 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.040 -1.940 -4.143 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.032 -0.697 -3.376 1.00 0.00 C ATOM 1471 C PHE A 94 -4.618 -0.288 -2.957 1.00 0.00 C ATOM 1472 O PHE A 94 -4.352 0.892 -2.724 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.921 -0.848 -2.139 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.981 0.380 -1.274 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.489 1.571 -1.769 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.534 0.339 0.037 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.547 2.699 -0.973 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.591 1.465 0.838 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.098 2.646 0.332 1.00 0.00 C ATOM 0 H PHE A 94 -6.159 -2.782 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.422 0.092 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.931 -1.104 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.555 -1.683 -1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.843 1.618 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.137 -0.582 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.943 3.621 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.239 1.421 1.858 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.143 3.526 0.956 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.711 -1.256 -2.874 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.338 -0.976 -2.464 1.00 0.00 C ATOM 1491 C VAL A 95 -1.580 -0.199 -3.539 1.00 0.00 C ATOM 1492 O VAL A 95 -0.667 0.567 -3.230 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.568 -2.273 -2.120 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.903 -2.873 -3.352 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.538 -2.007 -1.034 1.00 0.00 C ATOM 0 H VAL A 95 -3.899 -2.236 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.401 -0.361 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.291 -2.999 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.372 -3.783 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.663 -3.111 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.198 -2.155 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.005 -2.930 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.171 -1.256 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.040 -1.645 -0.137 1.00 0.00 H new ATOM 1505 N THR A 96 -1.961 -0.397 -4.799 1.00 0.00 N ATOM 1506 CA THR A 96 -1.309 0.290 -5.908 1.00 0.00 C ATOM 1507 C THR A 96 -1.912 1.674 -6.135 1.00 0.00 C ATOM 1508 O THR A 96 -1.191 2.636 -6.397 1.00 0.00 O ATOM 1509 CB THR A 96 -1.409 -0.524 -7.213 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.884 -1.842 -7.010 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.645 0.162 -8.337 1.00 0.00 C ATOM 0 H THR A 96 -2.715 -1.025 -5.075 1.00 0.00 H new ATOM 0 HA THR A 96 -0.259 0.397 -5.636 1.00 0.00 H new ATOM 0 HB THR A 96 -2.460 -0.591 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.953 -2.353 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.729 -0.430 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.063 1.154 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.405 0.254 -8.060 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.235 1.764 -6.038 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.934 3.032 -6.235 1.00 0.00 C ATOM 1521 C LEU A 97 -3.355 4.133 -5.350 1.00 0.00 C ATOM 1522 O LEU A 97 -3.383 5.310 -5.712 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.428 2.864 -5.951 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.184 1.998 -6.960 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.569 1.657 -6.435 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.283 2.705 -8.302 1.00 0.00 C ATOM 0 H LEU A 97 -3.845 0.975 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.797 3.328 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.547 2.428 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.890 3.851 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.630 1.070 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.093 1.040 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.478 1.110 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.130 2.576 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.824 2.074 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.815 3.648 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.281 2.901 -8.685 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.833 3.749 -4.187 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.248 4.715 -3.262 1.00 0.00 C ATOM 1540 C LEU A 98 -0.725 4.630 -3.273 1.00 0.00 C ATOM 1541 O LEU A 98 -0.042 5.488 -2.714 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.781 4.490 -1.843 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.495 3.111 -1.241 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.132 3.087 -0.563 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.586 2.728 -0.254 1.00 0.00 C ATOM 0 H LEU A 98 -2.803 2.782 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.537 5.713 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.352 5.249 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.860 4.647 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.484 2.381 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.952 2.097 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.358 3.317 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.109 3.829 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.369 1.746 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.625 3.465 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.547 2.699 -0.767 1.00 0.00 H new