USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 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 38:sc= 0.309 USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -1.26 F(o=-2.1,f=-0.95) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -1.33 (180deg=-1.87) USER MOD Single : A 50 ASN : amide:sc= 0.0783 K(o=0.078,f=-6.1!) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0744 (180deg=-0.422) USER MOD Single : A 56 GLN : amide:sc= -0.252 K(o=-0.25,f=-3.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 150:sc= -0.171 (180deg=-0.863) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.803 F(o=-2!,f=-0.8) USER MOD Single : A 83 MET CE :methyl 158:sc= -0.12 (180deg=-0.682) USER MOD Single : A 96 THR OG1 : rot 71:sc= 0.00219 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.940 1.038 5.103 1.00 0.00 N ATOM 545 CA LEU A 35 2.143 0.055 4.376 1.00 0.00 C ATOM 546 C LEU A 35 1.140 -0.629 5.299 1.00 0.00 C ATOM 547 O LEU A 35 -0.001 -0.883 4.912 1.00 0.00 O ATOM 548 CB LEU A 35 3.047 -0.997 3.732 1.00 0.00 C ATOM 549 CG LEU A 35 2.329 -1.972 2.795 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.519 -1.559 1.344 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.823 -3.392 3.019 1.00 0.00 C ATOM 0 HA LEU A 35 1.595 0.584 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.832 -0.488 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.537 -1.567 4.521 1.00 0.00 H new ATOM 0 HG LEU A 35 1.263 -1.942 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.001 -2.264 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.110 -0.560 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.582 -1.556 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.301 -4.070 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.894 -3.440 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.629 -3.686 4.050 1.00 0.00 H new ATOM 563 N GLU A 36 1.573 -0.930 6.521 1.00 0.00 N ATOM 564 CA GLU A 36 0.713 -1.592 7.496 1.00 0.00 C ATOM 565 C GLU A 36 -0.513 -0.743 7.815 1.00 0.00 C ATOM 566 O GLU A 36 -1.514 -1.249 8.321 1.00 0.00 O ATOM 567 CB GLU A 36 1.489 -1.889 8.780 1.00 0.00 C ATOM 568 CG GLU A 36 1.988 -0.645 9.495 1.00 0.00 C ATOM 569 CD GLU A 36 2.639 -0.960 10.827 1.00 0.00 C ATOM 570 OE1 GLU A 36 3.857 -1.235 10.843 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.929 -0.935 11.855 1.00 0.00 O ATOM 0 H GLU A 36 2.514 -0.726 6.858 1.00 0.00 H new ATOM 0 HA GLU A 36 0.376 -2.532 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.849 -2.455 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.341 -2.525 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.705 -0.127 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.153 0.037 9.655 1.00 0.00 H new ATOM 578 N GLU A 37 -0.428 0.551 7.519 1.00 0.00 N ATOM 579 CA GLU A 37 -1.535 1.465 7.774 1.00 0.00 C ATOM 580 C GLU A 37 -2.627 1.294 6.723 1.00 0.00 C ATOM 581 O GLU A 37 -3.802 1.546 6.987 1.00 0.00 O ATOM 582 CB GLU A 37 -1.040 2.913 7.784 1.00 0.00 C ATOM 583 CG GLU A 37 -2.111 3.922 8.163 1.00 0.00 C ATOM 584 CD GLU A 37 -1.599 5.349 8.146 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.063 5.799 9.181 1.00 0.00 O ATOM 586 OE2 GLU A 37 -1.731 6.015 7.098 1.00 0.00 O ATOM 0 H GLU A 37 0.394 0.989 7.103 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.953 1.229 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.209 2.999 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.652 3.162 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.950 3.833 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.490 3.688 9.158 1.00 0.00 H new ATOM 593 N ILE A 38 -2.227 0.863 5.531 1.00 0.00 N ATOM 594 CA ILE A 38 -3.168 0.652 4.438 1.00 0.00 C ATOM 595 C ILE A 38 -4.189 -0.422 4.799 1.00 0.00 C ATOM 596 O ILE A 38 -5.391 -0.248 4.589 1.00 0.00 O ATOM 597 CB ILE A 38 -2.439 0.243 3.141 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.413 1.312 2.750 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.443 0.025 2.015 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.531 0.913 1.586 1.00 0.00 C ATOM 0 H ILE A 38 -1.256 0.653 5.298 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.683 1.598 4.270 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.911 -0.694 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.939 2.232 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.784 1.532 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.914 -0.263 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.139 -0.766 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.995 0.948 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.169 1.719 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.023 0.010 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.150 0.722 0.709 1.00 0.00 H new ATOM 612 N ARG A 39 -3.702 -1.531 5.348 1.00 0.00 N ATOM 613 CA ARG A 39 -4.569 -2.636 5.740 1.00 0.00 C ATOM 614 C ARG A 39 -5.519 -2.222 6.856 1.00 0.00 C ATOM 615 O ARG A 39 -6.716 -2.089 6.638 1.00 0.00 O ATOM 616 CB ARG A 39 -3.738 -3.838 6.194 1.00 0.00 C ATOM 617 CG ARG A 39 -2.864 -4.427 5.100 1.00 0.00 C ATOM 618 CD ARG A 39 -1.393 -4.128 5.338 1.00 0.00 C ATOM 619 NE ARG A 39 -0.927 -4.663 6.615 1.00 0.00 N ATOM 620 CZ ARG A 39 0.278 -5.195 6.798 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.132 -5.277 5.787 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.628 -5.651 7.993 1.00 0.00 N ATOM 0 H ARG A 39 -2.711 -1.688 5.531 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.159 -2.916 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.105 -3.536 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.409 -4.612 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.014 -5.506 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.167 -4.022 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.801 -4.554 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.234 -3.050 5.316 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.562 -4.626 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.866 -4.931 4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.055 -5.686 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.027 -5.594 8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.552 -6.059 8.133 1.00 0.00 H new ATOM 636 N GLU A 40 -4.966 -1.991 8.042 1.00 0.00 N ATOM 637 CA GLU A 40 -5.757 -1.613 9.214 1.00 0.00 C ATOM 638 C GLU A 40 -6.898 -0.654 8.866 1.00 0.00 C ATOM 639 O GLU A 40 -7.937 -0.660 9.520 1.00 0.00 O ATOM 640 CB GLU A 40 -4.848 -0.975 10.268 1.00 0.00 C ATOM 641 CG GLU A 40 -5.581 -0.539 11.526 1.00 0.00 C ATOM 642 CD GLU A 40 -4.660 0.104 12.545 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.459 1.334 12.470 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.138 -0.623 13.417 1.00 0.00 O ATOM 0 H GLU A 40 -3.964 -2.059 8.220 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.208 -2.524 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.068 -1.686 10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.351 -0.110 9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.368 0.166 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.068 -1.404 11.977 1.00 0.00 H new ATOM 651 N ALA A 41 -6.713 0.155 7.830 1.00 0.00 N ATOM 652 CA ALA A 41 -7.732 1.119 7.426 1.00 0.00 C ATOM 653 C ALA A 41 -8.962 0.455 6.796 1.00 0.00 C ATOM 654 O ALA A 41 -9.974 0.223 7.465 1.00 0.00 O ATOM 655 CB ALA A 41 -7.135 2.135 6.465 1.00 0.00 C ATOM 0 H ALA A 41 -5.870 0.164 7.255 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.073 1.622 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.902 2.850 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.317 2.663 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.757 1.621 5.581 1.00 0.00 H new ATOM 661 N PHE A 42 -8.869 0.136 5.510 1.00 0.00 N ATOM 662 CA PHE A 42 -9.991 -0.455 4.788 1.00 0.00 C ATOM 663 C PHE A 42 -10.229 -1.915 5.161 1.00 0.00 C ATOM 664 O PHE A 42 -11.322 -2.441 4.955 1.00 0.00 O ATOM 665 CB PHE A 42 -9.767 -0.319 3.281 1.00 0.00 C ATOM 666 CG PHE A 42 -10.094 1.050 2.755 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.362 2.157 3.156 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.139 1.231 1.864 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.668 3.418 2.679 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.448 2.489 1.383 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.712 3.584 1.791 1.00 0.00 C ATOM 0 H PHE A 42 -8.030 0.276 4.946 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.888 0.092 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.727 -0.550 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.379 -1.056 2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.543 2.033 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.719 0.379 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.091 4.272 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.265 2.616 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.953 4.568 1.416 1.00 0.00 H new ATOM 681 N LYS A 43 -9.217 -2.567 5.717 1.00 0.00 N ATOM 682 CA LYS A 43 -9.344 -3.969 6.101 1.00 0.00 C ATOM 683 C LYS A 43 -10.293 -4.140 7.286 1.00 0.00 C ATOM 684 O LYS A 43 -11.089 -5.077 7.310 1.00 0.00 O ATOM 685 CB LYS A 43 -7.976 -4.571 6.430 1.00 0.00 C ATOM 686 CG LYS A 43 -7.821 -6.020 5.992 1.00 0.00 C ATOM 687 CD LYS A 43 -7.966 -6.172 4.482 1.00 0.00 C ATOM 688 CE LYS A 43 -6.930 -5.351 3.728 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.062 -5.510 2.253 1.00 0.00 N ATOM 0 H LYS A 43 -8.305 -2.153 5.912 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.765 -4.503 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.201 -3.972 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.810 -4.507 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.845 -6.392 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.570 -6.634 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.864 -7.223 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.966 -5.861 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.039 -4.299 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.930 -5.655 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.260 -5.047 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.068 -6.522 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.950 -5.073 1.935 1.00 0.00 H new ATOM 703 N VAL A 44 -10.212 -3.242 8.270 1.00 0.00 N ATOM 704 CA VAL A 44 -11.089 -3.339 9.434 1.00 0.00 C ATOM 705 C VAL A 44 -12.541 -3.090 9.047 1.00 0.00 C ATOM 706 O VAL A 44 -13.450 -3.688 9.623 1.00 0.00 O ATOM 707 CB VAL A 44 -10.695 -2.367 10.564 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.303 -2.688 11.086 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.784 -0.924 10.096 1.00 0.00 C ATOM 0 H VAL A 44 -9.562 -2.456 8.284 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.974 -4.356 9.810 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.402 -2.494 11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.044 -1.991 11.883 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.286 -3.706 11.475 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.580 -2.597 10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.501 -0.259 10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.109 -0.772 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.806 -0.704 9.786 1.00 0.00 H new ATOM 719 N PHE A 45 -12.763 -2.205 8.073 1.00 0.00 N ATOM 720 CA PHE A 45 -14.125 -1.914 7.629 1.00 0.00 C ATOM 721 C PHE A 45 -14.792 -3.174 7.088 1.00 0.00 C ATOM 722 O PHE A 45 -16.016 -3.240 6.974 1.00 0.00 O ATOM 723 CB PHE A 45 -14.140 -0.807 6.571 1.00 0.00 C ATOM 724 CG PHE A 45 -13.755 0.543 7.111 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.448 1.103 8.173 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.701 1.249 6.558 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.096 2.343 8.670 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.344 2.489 7.051 1.00 0.00 C ATOM 729 CZ PHE A 45 -13.042 3.037 8.109 1.00 0.00 C ATOM 0 H PHE A 45 -12.032 -1.687 7.585 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.689 -1.562 8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.457 -1.076 5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.137 -0.745 6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.272 0.564 8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.151 0.825 5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.645 2.769 9.497 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.520 3.029 6.609 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.764 4.006 8.497 1.00 0.00 H new ATOM 739 N ASP A 46 -13.977 -4.172 6.755 1.00 0.00 N ATOM 740 CA ASP A 46 -14.487 -5.438 6.241 1.00 0.00 C ATOM 741 C ASP A 46 -15.139 -6.237 7.365 1.00 0.00 C ATOM 742 O ASP A 46 -14.461 -6.939 8.116 1.00 0.00 O ATOM 743 CB ASP A 46 -13.352 -6.248 5.606 1.00 0.00 C ATOM 744 CG ASP A 46 -13.822 -7.576 5.042 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.049 -7.768 4.911 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.961 -8.423 4.728 1.00 0.00 O ATOM 0 H ASP A 46 -12.961 -4.127 6.832 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.237 -5.229 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.895 -5.661 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.579 -6.429 6.353 1.00 0.00 H new ATOM 751 N ARG A 47 -16.459 -6.121 7.476 1.00 0.00 N ATOM 752 CA ARG A 47 -17.206 -6.817 8.518 1.00 0.00 C ATOM 753 C ARG A 47 -17.055 -8.333 8.404 1.00 0.00 C ATOM 754 O ARG A 47 -16.991 -9.032 9.415 1.00 0.00 O ATOM 755 CB ARG A 47 -18.687 -6.433 8.456 1.00 0.00 C ATOM 756 CG ARG A 47 -18.927 -4.931 8.461 1.00 0.00 C ATOM 757 CD ARG A 47 -20.402 -4.604 8.628 1.00 0.00 C ATOM 758 NE ARG A 47 -21.214 -5.166 7.551 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.428 -5.680 7.732 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.965 -5.713 8.945 1.00 0.00 N ATOM 761 NH2 ARG A 47 -23.104 -6.166 6.701 1.00 0.00 N ATOM 0 H ARG A 47 -17.034 -5.551 6.856 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.793 -6.511 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.127 -6.860 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.205 -6.878 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.358 -4.473 9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.561 -4.500 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.753 -4.990 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.533 -3.522 8.653 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.828 -5.164 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.447 -5.344 9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.896 -6.108 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.694 -6.146 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.034 -6.560 6.841 1.00 0.00 H new ATOM 775 N ASP A 48 -16.999 -8.838 7.175 1.00 0.00 N ATOM 776 CA ASP A 48 -16.862 -10.275 6.950 1.00 0.00 C ATOM 777 C ASP A 48 -15.424 -10.739 7.163 1.00 0.00 C ATOM 778 O ASP A 48 -15.173 -11.922 7.393 1.00 0.00 O ATOM 779 CB ASP A 48 -17.313 -10.637 5.534 1.00 0.00 C ATOM 780 CG ASP A 48 -18.712 -10.143 5.226 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.681 -10.862 5.550 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.839 -9.037 4.659 1.00 0.00 O ATOM 0 H ASP A 48 -17.046 -8.278 6.324 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.497 -10.783 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.614 -10.211 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.278 -11.719 5.411 1.00 0.00 H new ATOM 787 N GLY A 49 -14.486 -9.800 7.089 1.00 0.00 N ATOM 788 CA GLY A 49 -13.084 -10.131 7.279 1.00 0.00 C ATOM 789 C GLY A 49 -12.591 -11.183 6.303 1.00 0.00 C ATOM 790 O GLY A 49 -11.524 -11.764 6.498 1.00 0.00 O ATOM 0 H GLY A 49 -14.671 -8.815 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.484 -9.228 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.935 -10.489 8.298 1.00 0.00 H new ATOM 794 N ASN A 50 -13.367 -11.424 5.249 1.00 0.00 N ATOM 795 CA ASN A 50 -13.003 -12.413 4.239 1.00 0.00 C ATOM 796 C ASN A 50 -11.831 -11.926 3.393 1.00 0.00 C ATOM 797 O ASN A 50 -11.342 -12.644 2.521 1.00 0.00 O ATOM 798 CB ASN A 50 -14.204 -12.730 3.344 1.00 0.00 C ATOM 799 CG ASN A 50 -14.966 -11.486 2.926 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.398 -10.398 2.826 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.261 -11.642 2.677 1.00 0.00 N ATOM 0 H ASN A 50 -14.252 -10.948 5.073 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.697 -13.323 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.860 -13.257 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.878 -13.404 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.825 -10.842 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.691 -12.562 2.772 1.00 0.00 H new ATOM 808 N GLY A 51 -11.385 -10.702 3.658 1.00 0.00 N ATOM 809 CA GLY A 51 -10.271 -10.140 2.917 1.00 0.00 C ATOM 810 C GLY A 51 -10.721 -9.218 1.801 1.00 0.00 C ATOM 811 O GLY A 51 -9.898 -8.567 1.156 1.00 0.00 O ATOM 0 H GLY A 51 -11.776 -10.089 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.625 -9.589 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.674 -10.949 2.497 1.00 0.00 H new ATOM 815 N PHE A 52 -12.029 -9.161 1.574 1.00 0.00 N ATOM 816 CA PHE A 52 -12.588 -8.312 0.527 1.00 0.00 C ATOM 817 C PHE A 52 -13.610 -7.340 1.108 1.00 0.00 C ATOM 818 O PHE A 52 -14.260 -7.635 2.110 1.00 0.00 O ATOM 819 CB PHE A 52 -13.245 -9.168 -0.557 1.00 0.00 C ATOM 820 CG PHE A 52 -12.496 -10.434 -0.860 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.442 -10.434 -1.759 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.847 -11.624 -0.244 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.752 -11.598 -2.038 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.161 -12.792 -0.519 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.112 -12.779 -1.417 1.00 0.00 C ATOM 0 H PHE A 52 -12.722 -9.692 2.101 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.774 -7.739 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.258 -9.421 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.331 -8.579 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.157 -9.514 -2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.666 -11.639 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.932 -11.585 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.445 -13.713 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.574 -13.690 -1.634 1.00 0.00 H new ATOM 835 N ILE A 53 -13.746 -6.181 0.472 1.00 0.00 N ATOM 836 CA ILE A 53 -14.689 -5.166 0.925 1.00 0.00 C ATOM 837 C ILE A 53 -15.807 -4.962 -0.093 1.00 0.00 C ATOM 838 O ILE A 53 -15.553 -4.620 -1.248 1.00 0.00 O ATOM 839 CB ILE A 53 -13.986 -3.818 1.173 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.861 -3.981 2.196 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.990 -2.777 1.650 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.774 -2.940 2.062 1.00 0.00 C ATOM 0 H ILE A 53 -13.215 -5.922 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.114 -5.525 1.862 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.551 -3.477 0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.282 -3.929 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.421 -4.972 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.479 -1.830 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.761 -2.641 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.450 -3.114 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.008 -3.114 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.327 -3.006 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.202 -1.947 2.201 1.00 0.00 H new ATOM 854 N SER A 54 -17.043 -5.175 0.344 1.00 0.00 N ATOM 855 CA SER A 54 -18.203 -5.009 -0.525 1.00 0.00 C ATOM 856 C SER A 54 -18.664 -3.555 -0.536 1.00 0.00 C ATOM 857 O SER A 54 -18.092 -2.713 0.153 1.00 0.00 O ATOM 858 CB SER A 54 -19.344 -5.915 -0.063 1.00 0.00 C ATOM 859 OG SER A 54 -19.015 -7.281 -0.240 1.00 0.00 O ATOM 0 H SER A 54 -17.268 -5.463 1.296 1.00 0.00 H new ATOM 0 HA SER A 54 -17.915 -5.290 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.562 -5.724 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.249 -5.680 -0.624 1.00 0.00 H new ATOM 0 HG SER A 54 -18.068 -7.420 -0.028 1.00 0.00 H new ATOM 865 N LYS A 55 -19.696 -3.264 -1.323 1.00 0.00 N ATOM 866 CA LYS A 55 -20.230 -1.908 -1.418 1.00 0.00 C ATOM 867 C LYS A 55 -20.735 -1.409 -0.066 1.00 0.00 C ATOM 868 O LYS A 55 -20.265 -0.391 0.442 1.00 0.00 O ATOM 869 CB LYS A 55 -21.363 -1.864 -2.445 1.00 0.00 C ATOM 870 CG LYS A 55 -20.877 -1.850 -3.887 1.00 0.00 C ATOM 871 CD LYS A 55 -21.967 -2.288 -4.853 1.00 0.00 C ATOM 872 CE LYS A 55 -22.320 -3.756 -4.673 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.137 -4.639 -4.863 1.00 0.00 N ATOM 0 H LYS A 55 -20.179 -3.949 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.421 -1.251 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.010 -2.728 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.970 -0.977 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.541 -0.846 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.015 -2.510 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -22.857 -1.678 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -21.636 -2.116 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.732 -3.911 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -23.097 -4.032 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.456 -5.614 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.583 -4.306 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.545 -4.615 -4.008 1.00 0.00 H new ATOM 887 N GLN A 56 -21.691 -2.134 0.509 1.00 0.00 N ATOM 888 CA GLN A 56 -22.272 -1.766 1.799 1.00 0.00 C ATOM 889 C GLN A 56 -21.193 -1.541 2.856 1.00 0.00 C ATOM 890 O GLN A 56 -21.363 -0.726 3.763 1.00 0.00 O ATOM 891 CB GLN A 56 -23.243 -2.849 2.276 1.00 0.00 C ATOM 892 CG GLN A 56 -24.546 -2.899 1.491 1.00 0.00 C ATOM 893 CD GLN A 56 -24.363 -3.407 0.074 1.00 0.00 C ATOM 894 OE1 GLN A 56 -23.485 -4.226 -0.198 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.196 -2.921 -0.839 1.00 0.00 N ATOM 0 H GLN A 56 -22.082 -2.983 0.101 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.813 -0.830 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.752 -3.819 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.471 -2.681 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -25.254 -3.542 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.984 -1.901 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.909 -2.244 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.122 -3.225 -1.810 1.00 0.00 H new ATOM 904 N GLU A 57 -20.085 -2.266 2.736 1.00 0.00 N ATOM 905 CA GLU A 57 -18.982 -2.141 3.684 1.00 0.00 C ATOM 906 C GLU A 57 -18.169 -0.881 3.398 1.00 0.00 C ATOM 907 O GLU A 57 -17.856 -0.105 4.304 1.00 0.00 O ATOM 908 CB GLU A 57 -18.086 -3.380 3.612 1.00 0.00 C ATOM 909 CG GLU A 57 -18.809 -4.672 3.961 1.00 0.00 C ATOM 910 CD GLU A 57 -17.943 -5.902 3.767 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.134 -6.208 4.666 1.00 0.00 O ATOM 912 OE2 GLU A 57 -18.078 -6.562 2.716 1.00 0.00 O ATOM 0 H GLU A 57 -19.927 -2.946 1.992 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.394 -2.062 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.675 -3.463 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.243 -3.249 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.142 -4.628 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.702 -4.761 3.343 1.00 0.00 H new ATOM 919 N LEU A 58 -17.832 -0.687 2.128 1.00 0.00 N ATOM 920 CA LEU A 58 -17.063 0.475 1.702 1.00 0.00 C ATOM 921 C LEU A 58 -17.821 1.758 2.031 1.00 0.00 C ATOM 922 O LEU A 58 -17.220 2.804 2.276 1.00 0.00 O ATOM 923 CB LEU A 58 -16.792 0.384 0.194 1.00 0.00 C ATOM 924 CG LEU A 58 -15.562 1.141 -0.328 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.823 2.638 -0.379 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.337 0.839 0.524 1.00 0.00 C ATOM 0 H LEU A 58 -18.081 -1.324 1.372 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.112 0.493 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.683 -0.668 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.671 0.755 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.365 0.797 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.936 3.150 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.664 2.838 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.057 3.001 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.479 1.387 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.525 1.144 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.128 -0.230 0.495 1.00 0.00 H new ATOM 938 N GLY A 59 -19.149 1.662 2.049 1.00 0.00 N ATOM 939 CA GLY A 59 -19.975 2.815 2.354 1.00 0.00 C ATOM 940 C GLY A 59 -19.759 3.306 3.770 1.00 0.00 C ATOM 941 O GLY A 59 -20.067 4.453 4.093 1.00 0.00 O ATOM 0 H GLY A 59 -19.667 0.804 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.750 3.619 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.025 2.556 2.216 1.00 0.00 H new ATOM 945 N THR A 60 -19.225 2.429 4.614 1.00 0.00 N ATOM 946 CA THR A 60 -18.953 2.771 6.003 1.00 0.00 C ATOM 947 C THR A 60 -17.569 3.397 6.129 1.00 0.00 C ATOM 948 O THR A 60 -17.280 4.117 7.085 1.00 0.00 O ATOM 949 CB THR A 60 -19.034 1.531 6.916 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.261 0.830 6.681 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.950 1.928 8.382 1.00 0.00 C ATOM 0 H THR A 60 -18.972 1.475 4.358 1.00 0.00 H new ATOM 0 HA THR A 60 -19.713 3.485 6.320 1.00 0.00 H new ATOM 0 HB THR A 60 -18.190 0.882 6.682 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.305 0.043 7.263 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.009 1.035 9.005 1.00 0.00 H new ATOM 0 HG22 THR A 60 -18.004 2.437 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.776 2.596 8.626 1.00 0.00 H new ATOM 959 N ALA A 61 -16.716 3.111 5.150 1.00 0.00 N ATOM 960 CA ALA A 61 -15.359 3.646 5.132 1.00 0.00 C ATOM 961 C ALA A 61 -15.353 5.124 4.752 1.00 0.00 C ATOM 962 O ALA A 61 -14.734 5.946 5.428 1.00 0.00 O ATOM 963 CB ALA A 61 -14.496 2.851 4.165 1.00 0.00 C ATOM 0 H ALA A 61 -16.941 2.510 4.357 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.946 3.555 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.485 3.259 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.464 1.808 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.919 2.916 3.162 1.00 0.00 H new ATOM 969 N MET A 62 -16.042 5.453 3.663 1.00 0.00 N ATOM 970 CA MET A 62 -16.118 6.830 3.183 1.00 0.00 C ATOM 971 C MET A 62 -16.733 7.757 4.229 1.00 0.00 C ATOM 972 O MET A 62 -16.178 8.813 4.534 1.00 0.00 O ATOM 973 CB MET A 62 -16.934 6.893 1.892 1.00 0.00 C ATOM 974 CG MET A 62 -16.367 6.040 0.769 1.00 0.00 C ATOM 975 SD MET A 62 -17.371 6.103 -0.728 1.00 0.00 S ATOM 976 CE MET A 62 -17.298 7.850 -1.116 1.00 0.00 C ATOM 0 H MET A 62 -16.558 4.782 3.094 1.00 0.00 H new ATOM 0 HA MET A 62 -15.100 7.169 2.988 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.954 6.571 2.101 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.989 7.929 1.557 1.00 0.00 H new ATOM 0 HG2 MET A 62 -15.356 6.376 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.290 5.006 1.107 1.00 0.00 H new ATOM 0 HE1 MET A 62 -17.375 7.987 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 62 -18.123 8.367 -0.625 1.00 0.00 H new ATOM 0 HE3 MET A 62 -16.352 8.261 -0.765 1.00 0.00 H new ATOM 986 N ARG A 63 -17.883 7.362 4.772 1.00 0.00 N ATOM 987 CA ARG A 63 -18.572 8.170 5.775 1.00 0.00 C ATOM 988 C ARG A 63 -17.645 8.510 6.938 1.00 0.00 C ATOM 989 O ARG A 63 -17.760 9.577 7.542 1.00 0.00 O ATOM 990 CB ARG A 63 -19.813 7.439 6.294 1.00 0.00 C ATOM 991 CG ARG A 63 -19.499 6.134 7.005 1.00 0.00 C ATOM 992 CD ARG A 63 -20.747 5.519 7.618 1.00 0.00 C ATOM 993 NE ARG A 63 -21.781 5.265 6.619 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.920 4.632 6.882 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.165 4.183 8.107 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.813 4.444 5.921 1.00 0.00 N ATOM 0 H ARG A 63 -18.356 6.490 4.535 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.881 9.100 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.351 8.095 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.481 7.235 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.055 5.432 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.759 6.312 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.484 4.584 8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.140 6.186 8.385 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.620 5.591 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.479 4.323 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.040 3.698 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.627 4.785 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.686 3.958 6.124 1.00 0.00 H new ATOM 1010 N SER A 64 -16.729 7.598 7.249 1.00 0.00 N ATOM 1011 CA SER A 64 -15.783 7.809 8.338 1.00 0.00 C ATOM 1012 C SER A 64 -14.954 9.064 8.092 1.00 0.00 C ATOM 1013 O SER A 64 -14.692 9.838 9.013 1.00 0.00 O ATOM 1014 CB SER A 64 -14.865 6.595 8.492 1.00 0.00 C ATOM 1015 OG SER A 64 -13.942 6.785 9.550 1.00 0.00 O ATOM 0 H SER A 64 -16.622 6.708 6.763 1.00 0.00 H new ATOM 0 HA SER A 64 -16.349 7.940 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.464 5.704 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.325 6.423 7.561 1.00 0.00 H new ATOM 0 HG SER A 64 -13.368 5.995 9.629 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.547 9.259 6.842 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.755 10.423 6.469 1.00 0.00 C ATOM 1023 C LEU A 65 -14.626 11.674 6.436 1.00 0.00 C ATOM 1024 O LEU A 65 -14.123 12.796 6.514 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.108 10.204 5.100 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.430 8.845 4.909 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.859 8.730 3.504 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.338 8.637 5.948 1.00 0.00 C ATOM 0 H LEU A 65 -14.753 8.625 6.070 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.973 10.561 7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.872 10.322 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.368 10.987 4.936 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.180 8.066 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.380 7.758 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.663 8.831 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.124 9.519 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.869 7.665 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.588 9.421 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.774 8.675 6.946 1.00 0.00 H new ATOM 1040 N GLY A 66 -15.935 11.471 6.321 1.00 0.00 N ATOM 1041 CA GLY A 66 -16.862 12.587 6.280 1.00 0.00 C ATOM 1042 C GLY A 66 -17.631 12.649 4.974 1.00 0.00 C ATOM 1043 O GLY A 66 -18.206 13.683 4.633 1.00 0.00 O ATOM 0 H GLY A 66 -16.371 10.551 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.565 12.503 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.313 13.518 6.420 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.642 11.537 4.245 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.348 11.460 2.970 1.00 0.00 C ATOM 1049 C TYR A 67 -19.317 10.282 2.966 1.00 0.00 C ATOM 1050 O TYR A 67 -18.943 9.164 2.615 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.353 11.312 1.816 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.150 12.223 1.923 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.255 13.583 1.662 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -14.906 11.718 2.282 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.154 14.415 1.757 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -13.802 12.543 2.380 1.00 0.00 C ATOM 1057 CZ TYR A 67 -13.931 13.890 2.115 1.00 0.00 C ATOM 1058 OH TYR A 67 -12.833 14.715 2.212 1.00 0.00 O ATOM 0 H TYR A 67 -17.169 10.675 4.516 1.00 0.00 H new ATOM 0 HA TYR A 67 -18.912 12.383 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.011 10.278 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -17.868 11.515 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.212 13.998 1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.800 10.663 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.252 15.471 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.843 12.135 2.663 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.050 14.188 2.476 1.00 0.00 H new ATOM 1068 N MET A 68 -20.562 10.537 3.357 1.00 0.00 N ATOM 1069 CA MET A 68 -21.578 9.491 3.401 1.00 0.00 C ATOM 1070 C MET A 68 -22.199 9.263 2.020 1.00 0.00 C ATOM 1071 O MET A 68 -22.916 10.123 1.507 1.00 0.00 O ATOM 1072 CB MET A 68 -22.667 9.852 4.415 1.00 0.00 C ATOM 1073 CG MET A 68 -23.256 11.239 4.215 1.00 0.00 C ATOM 1074 SD MET A 68 -24.466 11.669 5.481 1.00 0.00 S ATOM 1075 CE MET A 68 -25.001 13.278 4.906 1.00 0.00 C ATOM 0 H MET A 68 -20.891 11.458 3.648 1.00 0.00 H new ATOM 0 HA MET A 68 -21.094 8.565 3.712 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.468 9.115 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.251 9.786 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.452 11.975 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.728 11.291 3.234 1.00 0.00 H new ATOM 0 HE1 MET A 68 -25.753 13.676 5.587 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.147 13.955 4.872 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.429 13.184 3.908 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.926 8.102 1.391 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.464 7.774 0.076 1.00 0.00 C ATOM 1087 C PRO A 69 -23.802 7.050 0.159 1.00 0.00 C ATOM 1088 O PRO A 69 -24.061 6.306 1.105 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.393 6.846 -0.485 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.882 6.105 0.707 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.066 7.015 1.901 1.00 0.00 C ATOM 0 HA PRO A 69 -22.663 8.658 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.807 6.165 -1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.598 7.408 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.428 5.172 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.832 5.844 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.536 6.491 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.111 7.397 2.263 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.647 7.277 -0.838 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.960 6.647 -0.891 1.00 0.00 C ATOM 1101 C ASN A 70 -25.863 5.259 -1.506 1.00 0.00 C ATOM 1102 O ASN A 70 -24.823 4.883 -2.047 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.920 7.501 -1.717 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.023 8.922 -1.207 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -27.085 9.162 -0.001 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -27.022 9.876 -2.129 1.00 0.00 N ATOM 0 H ASN A 70 -24.446 7.895 -1.624 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.337 6.558 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.587 7.515 -2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.909 7.043 -1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.074 10.856 -1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.969 9.630 -3.117 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.949 4.500 -1.422 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.983 3.159 -1.990 1.00 0.00 C ATOM 1115 C GLU A 71 -26.789 3.224 -3.503 1.00 0.00 C ATOM 1116 O GLU A 71 -26.519 2.213 -4.151 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.307 2.466 -1.658 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.533 3.195 -2.187 1.00 0.00 C ATOM 1119 CD GLU A 71 -29.885 4.423 -1.370 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -30.520 4.266 -0.306 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -29.529 5.541 -1.796 1.00 0.00 O ATOM 0 H GLU A 71 -27.815 4.790 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.170 2.579 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.291 1.457 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.393 2.368 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.356 3.491 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -30.382 2.512 -2.192 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.938 4.424 -4.057 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.782 4.639 -5.491 1.00 0.00 C ATOM 1130 C VAL A 72 -25.348 5.024 -5.851 1.00 0.00 C ATOM 1131 O VAL A 72 -24.893 4.780 -6.969 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.724 5.750 -5.995 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.920 5.649 -7.500 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -29.059 5.700 -5.267 1.00 0.00 C ATOM 0 H VAL A 72 -27.168 5.267 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 72 -27.034 3.694 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.260 6.712 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.588 6.443 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -26.957 5.751 -8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -28.356 4.681 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.707 6.494 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -29.532 4.734 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.896 5.837 -4.198 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.640 5.626 -4.897 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.270 6.080 -5.129 1.00 0.00 C ATOM 1146 C GLU A 73 -22.226 5.014 -4.795 1.00 0.00 C ATOM 1147 O GLU A 73 -21.314 4.771 -5.583 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.991 7.344 -4.313 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.994 8.461 -4.557 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.068 8.873 -6.014 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.297 9.769 -6.417 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -24.897 8.301 -6.752 1.00 0.00 O ATOM 0 H GLU A 73 -24.992 5.811 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.186 6.293 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.994 7.090 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.991 7.707 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.980 8.137 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.722 9.326 -3.952 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.354 4.383 -3.630 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.390 3.364 -3.210 1.00 0.00 C ATOM 1161 C LEU A 74 -21.239 2.268 -4.267 1.00 0.00 C ATOM 1162 O LEU A 74 -20.296 1.478 -4.223 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.795 2.763 -1.856 1.00 0.00 C ATOM 1164 CG LEU A 74 -22.677 1.512 -1.909 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -22.964 1.000 -0.506 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.976 1.798 -2.638 1.00 0.00 C ATOM 0 H LEU A 74 -23.107 4.556 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.420 3.849 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.887 2.519 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -22.320 3.528 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.136 0.741 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.592 0.111 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.026 0.750 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.480 1.772 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.586 0.895 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -24.519 2.588 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.759 2.117 -3.657 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.173 2.227 -5.215 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.137 1.235 -6.284 1.00 0.00 C ATOM 1180 C GLU A 75 -21.168 1.645 -7.393 1.00 0.00 C ATOM 1181 O GLU A 75 -20.472 0.803 -7.959 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.535 1.035 -6.874 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.562 0.550 -5.864 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.915 0.280 -6.493 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.672 1.249 -6.712 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.219 -0.900 -6.766 1.00 0.00 O ATOM 0 H GLU A 75 -22.963 2.870 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.788 0.298 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.877 1.977 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.475 0.316 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.198 -0.361 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.673 1.296 -5.077 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.128 2.940 -7.702 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.249 3.445 -8.753 1.00 0.00 C ATOM 1195 C VAL A 76 -18.825 3.654 -8.246 1.00 0.00 C ATOM 1196 O VAL A 76 -17.883 3.733 -9.033 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.772 4.769 -9.351 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.201 4.604 -9.843 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.679 5.900 -8.338 1.00 0.00 C ATOM 0 H VAL A 76 -21.691 3.655 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.240 2.684 -9.533 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.142 5.028 -10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.553 5.547 -10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.234 3.831 -10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.842 4.315 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.054 6.821 -8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.277 5.653 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.639 6.038 -8.041 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.675 3.752 -6.933 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.364 3.955 -6.329 1.00 0.00 C ATOM 1211 C ILE A 77 -16.589 2.644 -6.216 1.00 0.00 C ATOM 1212 O ILE A 77 -15.364 2.627 -6.336 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.491 4.602 -4.937 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.188 5.957 -5.058 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.122 4.762 -4.290 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.175 6.228 -3.948 1.00 0.00 C ATOM 0 H ILE A 77 -19.444 3.694 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.812 4.628 -6.985 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.090 3.950 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.435 6.745 -5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.707 6.005 -6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.235 5.221 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.654 3.783 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.495 5.396 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.632 7.206 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.950 5.461 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.657 6.212 -2.989 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.306 1.547 -5.988 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.675 0.238 -5.856 1.00 0.00 C ATOM 1230 C ILE A 78 -16.159 -0.281 -7.199 1.00 0.00 C ATOM 1231 O ILE A 78 -15.181 -1.027 -7.245 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.648 -0.794 -5.237 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.694 -0.629 -3.714 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.255 -2.220 -5.610 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.384 -0.953 -3.024 1.00 0.00 C ATOM 0 H ILE A 78 -18.321 1.539 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.824 0.366 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.642 -0.608 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.974 0.397 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.475 -1.274 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.958 -2.921 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.276 -2.331 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.250 -2.428 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.495 -0.813 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.111 -1.988 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.603 -0.291 -3.397 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.802 0.124 -8.292 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.391 -0.327 -9.618 1.00 0.00 C ATOM 1249 C GLN A 79 -15.135 0.406 -10.077 1.00 0.00 C ATOM 1250 O GLN A 79 -14.530 0.046 -11.086 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.519 -0.121 -10.631 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.983 1.321 -10.744 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.067 1.503 -11.788 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.319 1.354 -11.373 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -18.782 1.773 -12.954 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.602 0.757 -8.286 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.166 -1.392 -9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.183 -0.463 -11.610 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.367 -0.745 -10.349 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.356 1.656 -9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.132 1.954 -10.995 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.805 1.879 -13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.522 1.891 -13.646 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.749 1.436 -9.330 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.560 2.214 -9.659 1.00 0.00 C ATOM 1266 C ARG A 80 -12.306 1.476 -9.209 1.00 0.00 C ATOM 1267 O ARG A 80 -11.255 1.565 -9.845 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.623 3.590 -8.994 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.831 4.417 -9.406 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.706 4.928 -10.833 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.907 3.868 -11.819 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.687 4.022 -13.121 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.251 5.182 -13.592 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -14.901 3.013 -13.954 1.00 0.00 N ATOM 0 H ARG A 80 -15.242 1.751 -8.494 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.523 2.348 -10.740 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.636 3.460 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.716 4.143 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.734 3.813 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.942 5.262 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.437 5.719 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.720 5.370 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.234 2.960 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.083 5.960 -12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.083 5.296 -14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.235 2.118 -13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.732 3.132 -14.953 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.429 0.746 -8.106 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.317 -0.022 -7.562 1.00 0.00 C ATOM 1290 C LEU A 81 -11.372 -1.456 -8.075 1.00 0.00 C ATOM 1291 O LEU A 81 -10.347 -2.052 -8.402 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.356 -0.019 -6.028 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.057 1.326 -5.350 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -9.693 1.850 -5.769 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -12.143 2.346 -5.665 1.00 0.00 C ATOM 0 H LEU A 81 -13.293 0.670 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.387 0.443 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.343 -0.353 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.638 -0.754 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.045 1.164 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.503 2.804 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.924 1.133 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.673 1.990 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.909 3.290 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.195 2.501 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.104 1.978 -5.304 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.585 -1.997 -8.142 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.798 -3.359 -8.614 1.00 0.00 C ATOM 1309 C ASP A 82 -12.632 -3.443 -10.129 1.00 0.00 C ATOM 1310 O ASP A 82 -13.608 -3.373 -10.877 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.193 -3.839 -8.210 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.469 -5.257 -8.662 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.515 -6.061 -8.709 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.641 -5.565 -8.964 1.00 0.00 O ATOM 0 H ASP A 82 -13.439 -1.509 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.049 -4.004 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.295 -3.780 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.942 -3.172 -8.638 1.00 0.00 H new ATOM 1319 N MET A 83 -11.388 -3.591 -10.574 1.00 0.00 N ATOM 1320 CA MET A 83 -11.088 -3.679 -12.000 1.00 0.00 C ATOM 1321 C MET A 83 -11.417 -5.060 -12.560 1.00 0.00 C ATOM 1322 O MET A 83 -11.900 -5.183 -13.686 1.00 0.00 O ATOM 1323 CB MET A 83 -9.613 -3.357 -12.251 1.00 0.00 C ATOM 1324 CG MET A 83 -8.654 -4.218 -11.444 1.00 0.00 C ATOM 1325 SD MET A 83 -6.926 -3.806 -11.750 1.00 0.00 S ATOM 1326 CE MET A 83 -6.875 -2.112 -11.173 1.00 0.00 C ATOM 0 H MET A 83 -10.570 -3.653 -9.967 1.00 0.00 H new ATOM 0 HA MET A 83 -11.713 -2.948 -12.514 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.398 -3.485 -13.312 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.434 -2.308 -12.014 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.870 -4.098 -10.382 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.822 -5.267 -11.687 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.848 -1.842 -10.927 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.246 -1.450 -11.955 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.500 -2.011 -10.285 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.153 -6.097 -11.771 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.412 -7.467 -12.201 1.00 0.00 C ATOM 1338 C ASP A 84 -12.909 -7.765 -12.256 1.00 0.00 C ATOM 1339 O ASP A 84 -13.349 -8.634 -13.008 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.712 -8.456 -11.270 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.186 -8.334 -9.838 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.639 -7.488 -9.100 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -12.105 -9.085 -9.456 1.00 0.00 O ATOM 0 H ASP A 84 -10.761 -6.015 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.012 -7.579 -13.209 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.890 -9.472 -11.623 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.636 -8.288 -11.309 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.687 -7.041 -11.456 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.127 -7.240 -11.440 1.00 0.00 C ATOM 1350 C GLY A 85 -15.561 -8.405 -10.569 1.00 0.00 C ATOM 1351 O GLY A 85 -16.200 -9.341 -11.050 1.00 0.00 O ATOM 0 H GLY A 85 -13.347 -6.321 -10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.609 -6.329 -11.084 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.475 -7.407 -12.459 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.218 -8.350 -9.285 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.586 -9.411 -8.350 1.00 0.00 C ATOM 1357 C ASP A 86 -16.600 -8.912 -7.324 1.00 0.00 C ATOM 1358 O ASP A 86 -16.965 -9.636 -6.398 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.346 -9.953 -7.634 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.720 -8.934 -6.701 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.844 -8.170 -7.156 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.106 -8.903 -5.514 1.00 0.00 O ATOM 0 H ASP A 86 -14.687 -7.585 -8.868 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.044 -10.216 -8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.619 -10.842 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.609 -10.263 -8.375 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.054 -7.674 -7.498 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.022 -7.102 -6.578 1.00 0.00 C ATOM 1369 C GLY A 87 -17.373 -6.516 -5.339 1.00 0.00 C ATOM 1370 O GLY A 87 -17.978 -5.706 -4.638 1.00 0.00 O ATOM 0 H GLY A 87 -16.769 -7.057 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.588 -6.324 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.734 -7.872 -6.281 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.138 -6.928 -5.071 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.402 -6.442 -3.909 1.00 0.00 C ATOM 1376 C GLN A 88 -14.016 -5.948 -4.312 1.00 0.00 C ATOM 1377 O GLN A 88 -13.546 -6.223 -5.416 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.283 -7.549 -2.861 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.625 -8.090 -2.397 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.487 -9.168 -1.341 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.488 -8.761 -0.077 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.382 -10.353 -1.657 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.625 -7.598 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.952 -5.604 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.693 -8.367 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.737 -7.166 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.224 -7.271 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.166 -8.493 -3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.386 -10.621 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.291 -11.067 -0.935 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.368 -5.216 -3.411 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.038 -4.679 -3.676 1.00 0.00 C ATOM 1393 C VAL A 89 -10.962 -5.495 -2.966 1.00 0.00 C ATOM 1394 O VAL A 89 -11.079 -5.796 -1.778 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.929 -3.207 -3.233 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.586 -2.621 -3.641 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.074 -2.390 -3.813 1.00 0.00 C ATOM 0 H VAL A 89 -13.742 -4.981 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.881 -4.739 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.998 -3.169 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.530 -1.581 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.783 -3.190 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.481 -2.671 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.981 -1.353 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.039 -2.436 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.024 -2.795 -3.464 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.914 -5.847 -3.706 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.813 -6.630 -3.154 1.00 0.00 C ATOM 1409 C ASP A 90 -7.693 -5.727 -2.646 1.00 0.00 C ATOM 1410 O ASP A 90 -7.522 -4.605 -3.124 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.266 -7.594 -4.208 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.300 -8.608 -4.657 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -10.224 -8.223 -5.404 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.187 -9.787 -4.261 1.00 0.00 O ATOM 0 H ASP A 90 -9.804 -5.602 -4.690 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.200 -7.202 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.920 -7.026 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.400 -8.117 -3.803 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.938 -6.225 -1.671 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.832 -5.472 -1.085 1.00 0.00 C ATOM 1421 C PHE A 91 -4.907 -4.893 -2.156 1.00 0.00 C ATOM 1422 O PHE A 91 -4.711 -3.681 -2.222 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.032 -6.368 -0.135 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.768 -5.734 0.376 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.816 -4.588 1.152 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.533 -6.289 0.082 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.655 -4.006 1.625 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.369 -5.712 0.552 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.430 -4.569 1.325 1.00 0.00 C ATOM 0 H PHE A 91 -7.073 -7.152 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.260 -4.638 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.662 -6.636 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.780 -7.295 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.771 -4.144 1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.480 -7.183 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.706 -3.112 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.413 -6.154 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.522 -4.116 1.694 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.347 -5.768 -2.988 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.425 -5.355 -4.048 1.00 0.00 C ATOM 1441 C GLU A 92 -3.949 -4.148 -4.828 1.00 0.00 C ATOM 1442 O GLU A 92 -3.297 -3.108 -4.887 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.171 -6.518 -5.007 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.536 -7.727 -4.340 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.241 -8.846 -5.319 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.141 -8.844 -5.911 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.111 -9.725 -5.495 1.00 0.00 O ATOM 0 H GLU A 92 -4.516 -6.773 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.491 -5.061 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.116 -6.818 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.524 -6.177 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.610 -7.423 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.201 -8.098 -3.560 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.118 -4.299 -5.436 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.725 -3.224 -6.218 1.00 0.00 C ATOM 1456 C GLU A 93 -5.681 -1.885 -5.477 1.00 0.00 C ATOM 1457 O GLU A 93 -5.398 -0.843 -6.074 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.175 -3.578 -6.554 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.312 -4.805 -7.441 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.752 -5.255 -7.593 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.484 -4.639 -8.394 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.146 -6.224 -6.912 1.00 0.00 O ATOM 0 H GLU A 93 -5.668 -5.157 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.147 -3.118 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.723 -3.747 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.642 -2.727 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.898 -4.586 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.723 -5.620 -7.021 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.944 -1.922 -4.175 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.961 -0.709 -3.363 1.00 0.00 C ATOM 1471 C PHE A 94 -4.566 -0.318 -2.869 1.00 0.00 C ATOM 1472 O PHE A 94 -4.331 0.841 -2.531 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.903 -0.896 -2.171 1.00 0.00 C ATOM 1474 CG PHE A 94 -7.047 0.330 -1.314 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.752 1.431 -1.771 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.476 0.380 -0.053 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.885 2.560 -0.986 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.605 1.506 0.737 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.311 2.598 0.270 1.00 0.00 C ATOM 0 H PHE A 94 -6.148 -2.778 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.319 0.102 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.886 -1.188 -2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.536 -1.717 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.203 1.407 -2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.924 -0.471 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.437 3.412 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.155 1.533 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.414 3.479 0.886 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.642 -1.275 -2.836 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.287 -1.000 -2.363 1.00 0.00 C ATOM 1491 C VAL A 95 -1.463 -0.275 -3.423 1.00 0.00 C ATOM 1492 O VAL A 95 -0.566 0.503 -3.095 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.553 -2.291 -1.928 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.844 -2.955 -3.101 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.567 -1.989 -0.811 1.00 0.00 C ATOM 0 H VAL A 95 -3.804 -2.239 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.390 -0.353 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.302 -2.990 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.340 -3.858 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.574 -3.216 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.110 -2.266 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.059 -2.907 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.168 -1.264 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.102 -1.579 0.046 1.00 0.00 H new ATOM 1505 N THR A 96 -1.767 -0.531 -4.693 1.00 0.00 N ATOM 1506 CA THR A 96 -1.050 0.105 -5.790 1.00 0.00 C ATOM 1507 C THR A 96 -1.478 1.559 -5.949 1.00 0.00 C ATOM 1508 O THR A 96 -0.639 2.451 -6.079 1.00 0.00 O ATOM 1509 CB THR A 96 -1.288 -0.638 -7.119 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.937 -2.019 -6.978 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.472 -0.016 -8.243 1.00 0.00 C ATOM 0 H THR A 96 -2.504 -1.173 -4.985 1.00 0.00 H new ATOM 0 HA THR A 96 0.011 0.065 -5.545 1.00 0.00 H new ATOM 0 HB THR A 96 -2.345 -0.555 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.598 -2.468 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.657 -0.558 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.762 1.027 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.588 -0.071 -7.996 1.00 0.00 H new ATOM 1519 N LEU A 97 -2.787 1.792 -5.942 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.320 3.143 -6.085 1.00 0.00 C ATOM 1521 C LEU A 97 -2.991 3.992 -4.861 1.00 0.00 C ATOM 1522 O LEU A 97 -3.116 5.216 -4.892 1.00 0.00 O ATOM 1523 CB LEU A 97 -4.833 3.098 -6.303 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.289 2.289 -7.520 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -6.806 2.270 -7.607 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -4.687 2.857 -8.797 1.00 0.00 C ATOM 0 H LEU A 97 -3.496 1.066 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.851 3.601 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.301 2.680 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.200 4.119 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.938 1.264 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.113 1.691 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.216 1.815 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.178 3.290 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.023 2.268 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.007 3.892 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.599 2.818 -8.735 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.569 3.334 -3.785 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.217 4.028 -2.551 1.00 0.00 C ATOM 1540 C LEU A 98 -0.782 4.543 -2.619 1.00 0.00 C ATOM 1541 O LEU A 98 -0.374 5.391 -1.824 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.385 3.087 -1.352 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.008 3.711 -0.096 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -2.085 4.759 0.503 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -4.368 4.319 -0.414 1.00 0.00 C ATOM 0 H LEU A 98 -2.463 2.320 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.885 4.880 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.002 2.243 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.406 2.686 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.148 2.919 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.549 5.187 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.137 4.296 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.907 5.547 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.792 4.756 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.252 5.094 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.035 3.543 -0.789 1.00 0.00 H new