USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= -1.6! (180deg=-2.32!) USER MOD Single : A 50 ASN : amide:sc= -2.85 X(o=-2.8,f=-2.6) USER MOD Single : A 54 SER OG : rot 180:sc= -0.202 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0335 F(o=-1.6,f=-0.033) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -168:sc= -0.242 (180deg=-0.449) 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= -2.78 K(o=-2.8,f=-8.1!) USER MOD Single : A 79 GLN :FLIP amide:sc= -1.2 F(o=-2,f=-1.2) USER MOD Single : A 83 MET CE :methyl 163:sc= -0.0617 (180deg=-0.494) USER MOD Single : A 88 GLN : amide:sc= -1.52 X(o=-1.5,f=-2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.916 0.666 5.136 1.00 0.00 N ATOM 545 CA LEU A 35 1.997 -0.263 4.498 1.00 0.00 C ATOM 546 C LEU A 35 0.863 -0.630 5.449 1.00 0.00 C ATOM 547 O LEU A 35 -0.275 -0.833 5.027 1.00 0.00 O ATOM 548 CB LEU A 35 2.719 -1.532 4.039 1.00 0.00 C ATOM 549 CG LEU A 35 1.816 -2.572 3.370 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.251 -2.034 2.065 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.569 -3.867 3.127 1.00 0.00 C ATOM 0 HA LEU A 35 1.583 0.233 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.509 -1.253 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.203 -1.991 4.901 1.00 0.00 H new ATOM 0 HG LEU A 35 0.986 -2.781 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.612 -2.789 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.666 -1.136 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.069 -1.791 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.906 -4.590 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.423 -3.675 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.920 -4.268 4.078 1.00 0.00 H new ATOM 563 N GLU A 36 1.188 -0.716 6.737 1.00 0.00 N ATOM 564 CA GLU A 36 0.201 -1.055 7.756 1.00 0.00 C ATOM 565 C GLU A 36 -0.949 -0.055 7.735 1.00 0.00 C ATOM 566 O GLU A 36 -2.097 -0.406 8.004 1.00 0.00 O ATOM 567 CB GLU A 36 0.853 -1.078 9.140 1.00 0.00 C ATOM 568 CG GLU A 36 -0.104 -1.454 10.260 1.00 0.00 C ATOM 569 CD GLU A 36 -0.666 -2.853 10.101 1.00 0.00 C ATOM 570 OE1 GLU A 36 -1.683 -3.008 9.392 1.00 0.00 O ATOM 571 OE2 GLU A 36 -0.089 -3.794 10.685 1.00 0.00 O ATOM 0 H GLU A 36 2.128 -0.555 7.099 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.195 -2.047 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.682 -1.786 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.275 -0.095 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.415 -1.381 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.925 -0.737 10.287 1.00 0.00 H new ATOM 578 N GLU A 37 -0.626 1.194 7.412 1.00 0.00 N ATOM 579 CA GLU A 37 -1.628 2.249 7.345 1.00 0.00 C ATOM 580 C GLU A 37 -2.633 1.956 6.239 1.00 0.00 C ATOM 581 O GLU A 37 -3.804 2.320 6.335 1.00 0.00 O ATOM 582 CB GLU A 37 -0.960 3.603 7.100 1.00 0.00 C ATOM 583 CG GLU A 37 0.088 3.962 8.141 1.00 0.00 C ATOM 584 CD GLU A 37 -0.466 3.952 9.553 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.123 4.943 9.938 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.244 2.956 10.271 1.00 0.00 O ATOM 0 H GLU A 37 0.322 1.499 7.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.155 2.285 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.494 3.596 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.725 4.379 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.917 3.257 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.491 4.950 7.920 1.00 0.00 H new ATOM 593 N ILE A 38 -2.161 1.293 5.188 1.00 0.00 N ATOM 594 CA ILE A 38 -3.013 0.937 4.061 1.00 0.00 C ATOM 595 C ILE A 38 -4.034 -0.117 4.473 1.00 0.00 C ATOM 596 O ILE A 38 -5.228 0.003 4.177 1.00 0.00 O ATOM 597 CB ILE A 38 -2.181 0.402 2.873 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.103 1.421 2.483 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.090 0.089 1.692 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.355 1.080 1.207 1.00 0.00 C ATOM 0 H ILE A 38 -1.191 0.991 5.094 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.531 1.843 3.746 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.685 -0.521 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.569 2.399 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.386 1.505 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.492 -0.287 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.820 -0.666 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.610 0.996 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.388 1.851 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.143 0.118 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.058 1.026 0.376 1.00 0.00 H new ATOM 612 N ARG A 39 -3.556 -1.144 5.169 1.00 0.00 N ATOM 613 CA ARG A 39 -4.413 -2.229 5.627 1.00 0.00 C ATOM 614 C ARG A 39 -5.355 -1.760 6.727 1.00 0.00 C ATOM 615 O ARG A 39 -6.551 -1.625 6.507 1.00 0.00 O ATOM 616 CB ARG A 39 -3.563 -3.391 6.140 1.00 0.00 C ATOM 617 CG ARG A 39 -2.562 -3.902 5.120 1.00 0.00 C ATOM 618 CD ARG A 39 -1.281 -4.370 5.787 1.00 0.00 C ATOM 619 NE ARG A 39 -1.491 -5.569 6.596 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.515 -6.216 7.226 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.735 -5.780 7.143 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.788 -7.301 7.940 1.00 0.00 N ATOM 0 H ARG A 39 -2.575 -1.246 5.428 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.012 -2.563 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.028 -3.073 7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.220 -4.209 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.002 -4.725 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.334 -3.112 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.529 -4.574 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.888 -3.572 6.417 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.441 -5.930 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.949 -4.947 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.482 -6.278 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.748 -7.640 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.038 -7.796 8.423 1.00 0.00 H new ATOM 636 N GLU A 40 -4.800 -1.488 7.904 1.00 0.00 N ATOM 637 CA GLU A 40 -5.594 -1.049 9.049 1.00 0.00 C ATOM 638 C GLU A 40 -6.704 -0.083 8.631 1.00 0.00 C ATOM 639 O GLU A 40 -7.771 -0.060 9.236 1.00 0.00 O ATOM 640 CB GLU A 40 -4.691 -0.393 10.096 1.00 0.00 C ATOM 641 CG GLU A 40 -5.415 -0.021 11.382 1.00 0.00 C ATOM 642 CD GLU A 40 -4.475 0.506 12.447 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.187 1.722 12.436 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.027 -0.295 13.294 1.00 0.00 O ATOM 0 H GLU A 40 -3.800 -1.564 8.091 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.067 -1.930 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.873 -1.072 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.246 0.505 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.171 0.733 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.939 -0.896 11.766 1.00 0.00 H new ATOM 651 N ALA A 41 -6.460 0.693 7.585 1.00 0.00 N ATOM 652 CA ALA A 41 -7.447 1.655 7.109 1.00 0.00 C ATOM 653 C ALA A 41 -8.710 0.975 6.571 1.00 0.00 C ATOM 654 O ALA A 41 -9.690 0.782 7.299 1.00 0.00 O ATOM 655 CB ALA A 41 -6.837 2.551 6.040 1.00 0.00 C ATOM 0 H ALA A 41 -5.591 0.677 7.051 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.745 2.261 7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.585 3.264 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.987 3.090 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.502 1.941 5.202 1.00 0.00 H new ATOM 661 N PHE A 42 -8.675 0.589 5.298 1.00 0.00 N ATOM 662 CA PHE A 42 -9.835 -0.026 4.658 1.00 0.00 C ATOM 663 C PHE A 42 -10.010 -1.493 5.036 1.00 0.00 C ATOM 664 O PHE A 42 -11.126 -2.014 5.010 1.00 0.00 O ATOM 665 CB PHE A 42 -9.732 0.122 3.141 1.00 0.00 C ATOM 666 CG PHE A 42 -10.193 1.462 2.641 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.426 2.598 2.850 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.398 1.586 1.972 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.854 3.832 2.397 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.832 2.817 1.518 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.059 3.942 1.729 1.00 0.00 C ATOM 0 H PHE A 42 -7.861 0.690 4.692 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.718 0.499 5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.697 -0.035 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.325 -0.659 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.484 2.518 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.007 0.710 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.247 4.709 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.775 2.899 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.395 4.905 1.373 1.00 0.00 H new ATOM 681 N LYS A 43 -8.918 -2.160 5.385 1.00 0.00 N ATOM 682 CA LYS A 43 -8.982 -3.570 5.755 1.00 0.00 C ATOM 683 C LYS A 43 -9.863 -3.784 6.985 1.00 0.00 C ATOM 684 O LYS A 43 -10.604 -4.763 7.050 1.00 0.00 O ATOM 685 CB LYS A 43 -7.581 -4.141 5.999 1.00 0.00 C ATOM 686 CG LYS A 43 -7.406 -5.572 5.507 1.00 0.00 C ATOM 687 CD LYS A 43 -7.693 -5.696 4.016 1.00 0.00 C ATOM 688 CE LYS A 43 -6.763 -4.822 3.186 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.106 -4.868 1.738 1.00 0.00 N ATOM 0 H LYS A 43 -7.984 -1.753 5.420 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.431 -4.104 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.848 -3.504 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.365 -4.105 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.388 -5.904 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.073 -6.231 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.583 -6.736 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.728 -5.414 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.819 -3.793 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.733 -5.151 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.235 -4.962 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.726 -5.683 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.597 -3.992 1.470 1.00 0.00 H new ATOM 703 N VAL A 44 -9.790 -2.878 7.966 1.00 0.00 N ATOM 704 CA VAL A 44 -10.613 -3.021 9.164 1.00 0.00 C ATOM 705 C VAL A 44 -12.077 -2.732 8.858 1.00 0.00 C ATOM 706 O VAL A 44 -12.967 -3.352 9.442 1.00 0.00 O ATOM 707 CB VAL A 44 -10.153 -2.115 10.323 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.690 -2.365 10.652 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.404 -0.650 9.999 1.00 0.00 C ATOM 0 H VAL A 44 -9.184 -2.058 7.954 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.496 -4.057 9.483 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.742 -2.364 11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.385 -1.715 11.473 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.556 -3.406 10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.078 -2.153 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.071 -0.031 10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.852 -0.376 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.469 -0.492 9.832 1.00 0.00 H new ATOM 719 N PHE A 45 -12.334 -1.789 7.945 1.00 0.00 N ATOM 720 CA PHE A 45 -13.712 -1.459 7.583 1.00 0.00 C ATOM 721 C PHE A 45 -14.452 -2.706 7.106 1.00 0.00 C ATOM 722 O PHE A 45 -15.682 -2.735 7.073 1.00 0.00 O ATOM 723 CB PHE A 45 -13.765 -0.364 6.510 1.00 0.00 C ATOM 724 CG PHE A 45 -13.371 0.998 7.015 1.00 0.00 C ATOM 725 CD1 PHE A 45 -13.911 1.505 8.189 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.463 1.776 6.315 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.553 2.757 8.652 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.101 3.029 6.774 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.645 3.519 7.944 1.00 0.00 C ATOM 0 H PHE A 45 -11.620 -1.252 7.453 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.206 -1.075 8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.106 -0.641 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.776 -0.313 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.620 0.913 8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.032 1.399 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.983 3.139 9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.393 3.624 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.361 4.496 8.305 1.00 0.00 H new ATOM 739 N ASP A 46 -13.689 -3.734 6.736 1.00 0.00 N ATOM 740 CA ASP A 46 -14.264 -4.995 6.281 1.00 0.00 C ATOM 741 C ASP A 46 -15.028 -5.658 7.423 1.00 0.00 C ATOM 742 O ASP A 46 -14.455 -6.400 8.222 1.00 0.00 O ATOM 743 CB ASP A 46 -13.156 -5.925 5.774 1.00 0.00 C ATOM 744 CG ASP A 46 -13.693 -7.178 5.108 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.918 -7.407 5.162 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.882 -7.933 4.529 1.00 0.00 O ATOM 0 H ASP A 46 -12.669 -3.716 6.743 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.956 -4.797 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.530 -5.383 5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.517 -6.210 6.610 1.00 0.00 H new ATOM 751 N ARG A 47 -16.325 -5.379 7.493 1.00 0.00 N ATOM 752 CA ARG A 47 -17.179 -5.920 8.545 1.00 0.00 C ATOM 753 C ARG A 47 -17.108 -7.443 8.613 1.00 0.00 C ATOM 754 O ARG A 47 -16.991 -8.016 9.697 1.00 0.00 O ATOM 755 CB ARG A 47 -18.627 -5.477 8.325 1.00 0.00 C ATOM 756 CG ARG A 47 -18.770 -3.985 8.067 1.00 0.00 C ATOM 757 CD ARG A 47 -20.230 -3.574 7.953 1.00 0.00 C ATOM 758 NE ARG A 47 -20.958 -3.790 9.201 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.276 -3.656 9.324 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.013 -3.310 8.275 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.859 -3.867 10.496 1.00 0.00 N ATOM 0 H ARG A 47 -16.811 -4.777 6.829 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.815 -5.529 9.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.043 -6.026 7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.218 -5.745 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.297 -3.428 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.245 -3.722 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.290 -2.522 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.705 -4.142 7.153 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.424 -4.060 10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.569 -3.146 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.023 -3.208 8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.297 -4.132 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.870 -3.764 10.589 1.00 0.00 H new ATOM 775 N ASP A 48 -17.177 -8.098 7.458 1.00 0.00 N ATOM 776 CA ASP A 48 -17.130 -9.556 7.410 1.00 0.00 C ATOM 777 C ASP A 48 -15.702 -10.076 7.562 1.00 0.00 C ATOM 778 O ASP A 48 -15.490 -11.238 7.913 1.00 0.00 O ATOM 779 CB ASP A 48 -17.728 -10.064 6.099 1.00 0.00 C ATOM 780 CG ASP A 48 -19.039 -9.384 5.758 1.00 0.00 C ATOM 781 OD1 ASP A 48 -20.069 -9.734 6.374 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.036 -8.502 4.874 1.00 0.00 O ATOM 0 H ASP A 48 -17.265 -7.646 6.548 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.719 -9.932 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.016 -9.899 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.888 -11.140 6.169 1.00 0.00 H new ATOM 787 N GLY A 49 -14.728 -9.211 7.298 1.00 0.00 N ATOM 788 CA GLY A 49 -13.333 -9.598 7.419 1.00 0.00 C ATOM 789 C GLY A 49 -12.943 -10.725 6.480 1.00 0.00 C ATOM 790 O GLY A 49 -11.934 -11.396 6.695 1.00 0.00 O ATOM 0 H GLY A 49 -14.880 -8.247 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.703 -8.731 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.135 -9.904 8.446 1.00 0.00 H new ATOM 794 N ASN A 50 -13.739 -10.930 5.432 1.00 0.00 N ATOM 795 CA ASN A 50 -13.464 -11.984 4.457 1.00 0.00 C ATOM 796 C ASN A 50 -12.191 -11.678 3.679 1.00 0.00 C ATOM 797 O ASN A 50 -11.713 -12.501 2.899 1.00 0.00 O ATOM 798 CB ASN A 50 -14.632 -12.119 3.478 1.00 0.00 C ATOM 799 CG ASN A 50 -15.981 -12.060 4.164 1.00 0.00 C ATOM 800 OD1 ASN A 50 -16.940 -11.509 3.622 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.067 -12.633 5.360 1.00 0.00 N ATOM 0 H ASN A 50 -14.577 -10.382 5.237 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.334 -12.920 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.572 -11.323 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.543 -13.063 2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.953 -12.627 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.247 -13.078 5.772 1.00 0.00 H new ATOM 808 N GLY A 51 -11.650 -10.485 3.901 1.00 0.00 N ATOM 809 CA GLY A 51 -10.450 -10.072 3.203 1.00 0.00 C ATOM 810 C GLY A 51 -10.781 -9.146 2.053 1.00 0.00 C ATOM 811 O GLY A 51 -9.896 -8.536 1.453 1.00 0.00 O ATOM 0 H GLY A 51 -12.023 -9.796 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.777 -9.569 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.924 -10.949 2.828 1.00 0.00 H new ATOM 815 N PHE A 52 -12.074 -9.050 1.750 1.00 0.00 N ATOM 816 CA PHE A 52 -12.556 -8.196 0.674 1.00 0.00 C ATOM 817 C PHE A 52 -13.624 -7.242 1.199 1.00 0.00 C ATOM 818 O PHE A 52 -14.408 -7.598 2.082 1.00 0.00 O ATOM 819 CB PHE A 52 -13.134 -9.042 -0.464 1.00 0.00 C ATOM 820 CG PHE A 52 -12.375 -10.314 -0.715 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.296 -10.333 -1.583 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.743 -11.491 -0.083 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.597 -11.501 -1.815 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.048 -12.663 -0.311 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.973 -12.668 -1.178 1.00 0.00 C ATOM 0 H PHE A 52 -12.809 -9.559 2.241 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.715 -7.618 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.171 -9.287 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.143 -8.448 -1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.998 -9.424 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.583 -11.492 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.757 -11.502 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.345 -13.574 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.427 -13.582 -1.358 1.00 0.00 H new ATOM 835 N ILE A 53 -13.656 -6.032 0.651 1.00 0.00 N ATOM 836 CA ILE A 53 -14.625 -5.030 1.073 1.00 0.00 C ATOM 837 C ILE A 53 -15.748 -4.882 0.050 1.00 0.00 C ATOM 838 O ILE A 53 -15.517 -4.477 -1.089 1.00 0.00 O ATOM 839 CB ILE A 53 -13.953 -3.659 1.286 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.785 -3.781 2.269 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.969 -2.646 1.794 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.739 -2.701 2.099 1.00 0.00 C ATOM 0 H ILE A 53 -13.022 -5.723 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.045 -5.373 2.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.564 -3.312 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.172 -3.744 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.314 -4.756 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.481 -1.683 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.772 -2.539 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.383 -2.990 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.942 -2.849 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.325 -2.751 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.196 -1.724 2.255 1.00 0.00 H new ATOM 854 N SER A 54 -16.967 -5.215 0.465 1.00 0.00 N ATOM 855 CA SER A 54 -18.129 -5.116 -0.412 1.00 0.00 C ATOM 856 C SER A 54 -18.621 -3.674 -0.485 1.00 0.00 C ATOM 857 O SER A 54 -18.054 -2.786 0.149 1.00 0.00 O ATOM 858 CB SER A 54 -19.250 -6.031 0.083 1.00 0.00 C ATOM 859 OG SER A 54 -20.378 -5.971 -0.774 1.00 0.00 O ATOM 0 H SER A 54 -17.175 -5.556 1.403 1.00 0.00 H new ATOM 0 HA SER A 54 -17.833 -5.434 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.887 -7.057 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.541 -5.740 1.092 1.00 0.00 H new ATOM 0 HG SER A 54 -21.078 -6.567 -0.435 1.00 0.00 H new ATOM 865 N LYS A 55 -19.675 -3.442 -1.264 1.00 0.00 N ATOM 866 CA LYS A 55 -20.233 -2.103 -1.415 1.00 0.00 C ATOM 867 C LYS A 55 -20.733 -1.552 -0.083 1.00 0.00 C ATOM 868 O LYS A 55 -20.263 -0.515 0.385 1.00 0.00 O ATOM 869 CB LYS A 55 -21.379 -2.121 -2.432 1.00 0.00 C ATOM 870 CG LYS A 55 -20.925 -2.339 -3.869 1.00 0.00 C ATOM 871 CD LYS A 55 -20.605 -3.801 -4.148 1.00 0.00 C ATOM 872 CE LYS A 55 -21.854 -4.668 -4.107 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.546 -6.102 -4.365 1.00 0.00 N ATOM 0 H LYS A 55 -20.158 -4.163 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.437 -1.450 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.081 -2.909 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.920 -1.177 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.705 -2.002 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.043 -1.730 -4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.132 -3.890 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.886 -4.163 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.332 -4.569 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.568 -4.311 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.424 -6.658 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.113 -6.200 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.885 -6.451 -3.642 1.00 0.00 H new ATOM 887 N GLN A 56 -21.684 -2.258 0.525 1.00 0.00 N ATOM 888 CA GLN A 56 -22.265 -1.840 1.800 1.00 0.00 C ATOM 889 C GLN A 56 -21.189 -1.578 2.852 1.00 0.00 C ATOM 890 O GLN A 56 -21.333 -0.683 3.686 1.00 0.00 O ATOM 891 CB GLN A 56 -23.240 -2.902 2.311 1.00 0.00 C ATOM 892 CG GLN A 56 -24.702 -2.504 2.180 1.00 0.00 C ATOM 893 CD GLN A 56 -25.107 -2.206 0.749 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.477 -2.885 -0.203 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -25.983 -1.377 0.501 1.00 0.00 N flip ATOM 0 H GLN A 56 -22.070 -3.126 0.154 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.801 -0.907 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -23.074 -3.829 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.022 -3.109 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -25.328 -3.307 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.891 -1.625 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.442 -0.877 1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.249 -1.190 -0.466 1.00 0.00 H new ATOM 904 N GLU A 57 -20.114 -2.358 2.811 1.00 0.00 N ATOM 905 CA GLU A 57 -19.021 -2.204 3.767 1.00 0.00 C ATOM 906 C GLU A 57 -18.220 -0.941 3.467 1.00 0.00 C ATOM 907 O GLU A 57 -17.922 -0.147 4.363 1.00 0.00 O ATOM 908 CB GLU A 57 -18.109 -3.433 3.726 1.00 0.00 C ATOM 909 CG GLU A 57 -18.835 -4.732 4.036 1.00 0.00 C ATOM 910 CD GLU A 57 -17.939 -5.948 3.920 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.228 -6.258 4.898 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.949 -6.594 2.851 1.00 0.00 O ATOM 0 H GLU A 57 -19.975 -3.102 2.128 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.445 -2.113 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.654 -3.506 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.298 -3.299 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.244 -4.682 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.679 -4.842 3.355 1.00 0.00 H new ATOM 919 N LEU A 58 -17.869 -0.767 2.199 1.00 0.00 N ATOM 920 CA LEU A 58 -17.116 0.402 1.764 1.00 0.00 C ATOM 921 C LEU A 58 -17.904 1.671 2.080 1.00 0.00 C ATOM 922 O LEU A 58 -17.333 2.747 2.255 1.00 0.00 O ATOM 923 CB LEU A 58 -16.838 0.304 0.258 1.00 0.00 C ATOM 924 CG LEU A 58 -15.569 1.004 -0.250 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.726 2.516 -0.223 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.356 0.577 0.562 1.00 0.00 C ATOM 0 H LEU A 58 -18.095 -1.423 1.452 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.165 0.441 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.777 -0.751 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.694 0.719 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.414 0.701 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.812 2.983 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.561 2.806 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.918 2.844 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.468 1.085 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.508 0.841 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.221 -0.501 0.475 1.00 0.00 H new ATOM 938 N GLY A 59 -19.225 1.526 2.165 1.00 0.00 N ATOM 939 CA GLY A 59 -20.081 2.658 2.468 1.00 0.00 C ATOM 940 C GLY A 59 -19.881 3.153 3.883 1.00 0.00 C ATOM 941 O GLY A 59 -20.195 4.301 4.201 1.00 0.00 O ATOM 0 H GLY A 59 -19.717 0.643 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.874 3.467 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.124 2.373 2.327 1.00 0.00 H new ATOM 945 N THR A 60 -19.355 2.280 4.737 1.00 0.00 N ATOM 946 CA THR A 60 -19.097 2.627 6.127 1.00 0.00 C ATOM 947 C THR A 60 -17.790 3.401 6.236 1.00 0.00 C ATOM 948 O THR A 60 -17.597 4.200 7.153 1.00 0.00 O ATOM 949 CB THR A 60 -19.022 1.372 7.018 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.228 0.608 6.889 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.814 1.750 8.477 1.00 0.00 C ATOM 0 H THR A 60 -19.099 1.325 4.488 1.00 0.00 H new ATOM 0 HA THR A 60 -19.925 3.245 6.473 1.00 0.00 H new ATOM 0 HB THR A 60 -18.172 0.774 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.173 -0.189 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.765 0.846 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.883 2.307 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.646 2.369 8.815 1.00 0.00 H new ATOM 959 N ALA A 61 -16.893 3.151 5.287 1.00 0.00 N ATOM 960 CA ALA A 61 -15.601 3.826 5.255 1.00 0.00 C ATOM 961 C ALA A 61 -15.764 5.313 4.950 1.00 0.00 C ATOM 962 O ALA A 61 -15.239 6.165 5.668 1.00 0.00 O ATOM 963 CB ALA A 61 -14.697 3.171 4.222 1.00 0.00 C ATOM 0 H ALA A 61 -17.038 2.484 4.529 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.143 3.734 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.734 3.682 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.547 2.123 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.161 3.238 3.238 1.00 0.00 H new ATOM 969 N MET A 62 -16.491 5.615 3.878 1.00 0.00 N ATOM 970 CA MET A 62 -16.725 6.997 3.467 1.00 0.00 C ATOM 971 C MET A 62 -17.413 7.808 4.566 1.00 0.00 C ATOM 972 O MET A 62 -16.932 8.875 4.949 1.00 0.00 O ATOM 973 CB MET A 62 -17.569 7.034 2.191 1.00 0.00 C ATOM 974 CG MET A 62 -16.828 6.555 0.953 1.00 0.00 C ATOM 975 SD MET A 62 -15.414 7.597 0.546 1.00 0.00 S ATOM 976 CE MET A 62 -14.872 6.851 -0.990 1.00 0.00 C ATOM 0 H MET A 62 -16.930 4.919 3.276 1.00 0.00 H new ATOM 0 HA MET A 62 -15.752 7.450 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.456 6.416 2.335 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.915 8.054 2.024 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.487 5.532 1.111 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.515 6.535 0.107 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.890 7.241 -1.257 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.813 5.769 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.584 7.088 -1.781 1.00 0.00 H new ATOM 986 N ARG A 63 -18.540 7.301 5.066 1.00 0.00 N ATOM 987 CA ARG A 63 -19.293 7.996 6.111 1.00 0.00 C ATOM 988 C ARG A 63 -18.408 8.325 7.309 1.00 0.00 C ATOM 989 O ARG A 63 -18.586 9.357 7.956 1.00 0.00 O ATOM 990 CB ARG A 63 -20.491 7.158 6.563 1.00 0.00 C ATOM 991 CG ARG A 63 -20.109 5.815 7.159 1.00 0.00 C ATOM 992 CD ARG A 63 -21.315 5.106 7.752 1.00 0.00 C ATOM 993 NE ARG A 63 -21.896 5.853 8.865 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.738 5.327 9.747 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.090 4.051 9.655 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.227 6.075 10.726 1.00 0.00 N ATOM 0 H ARG A 63 -18.950 6.416 4.767 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.655 8.932 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -21.061 7.724 7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.149 6.993 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.660 5.188 6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.354 5.960 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.069 4.964 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.020 4.114 8.095 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.640 6.835 8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.714 3.471 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.737 3.650 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.957 7.056 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.874 5.670 11.403 1.00 0.00 H new ATOM 1010 N SER A 64 -17.463 7.438 7.608 1.00 0.00 N ATOM 1011 CA SER A 64 -16.548 7.645 8.726 1.00 0.00 C ATOM 1012 C SER A 64 -15.843 8.992 8.603 1.00 0.00 C ATOM 1013 O SER A 64 -15.597 9.671 9.600 1.00 0.00 O ATOM 1014 CB SER A 64 -15.516 6.519 8.790 1.00 0.00 C ATOM 1015 OG SER A 64 -14.639 6.693 9.889 1.00 0.00 O ATOM 0 H SER A 64 -17.311 6.571 7.093 1.00 0.00 H new ATOM 0 HA SER A 64 -17.132 7.640 9.647 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.025 5.559 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.942 6.494 7.863 1.00 0.00 H new ATOM 0 HG SER A 64 -13.990 5.959 9.909 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.521 9.370 7.369 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.847 10.637 7.104 1.00 0.00 C ATOM 1023 C LEU A 65 -15.847 11.790 7.078 1.00 0.00 C ATOM 1024 O LEU A 65 -15.470 12.955 7.206 1.00 0.00 O ATOM 1025 CB LEU A 65 -14.099 10.570 5.770 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.284 9.294 5.544 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.648 9.306 4.163 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.218 9.139 6.619 1.00 0.00 C ATOM 0 H LEU A 65 -15.717 8.816 6.535 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.133 10.815 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.822 10.668 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.429 11.427 5.704 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.960 8.441 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.072 8.392 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.428 9.367 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.987 10.168 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.650 8.226 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.545 9.996 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.694 9.084 7.598 1.00 0.00 H new ATOM 1040 N GLY A 66 -17.123 11.454 6.910 1.00 0.00 N ATOM 1041 CA GLY A 66 -18.160 12.469 6.867 1.00 0.00 C ATOM 1042 C GLY A 66 -18.888 12.501 5.536 1.00 0.00 C ATOM 1043 O GLY A 66 -19.495 13.511 5.179 1.00 0.00 O ATOM 0 H GLY A 66 -17.457 10.496 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.878 12.284 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.716 13.446 7.058 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.829 11.393 4.803 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.491 11.297 3.506 1.00 0.00 C ATOM 1049 C TYR A 67 -20.380 10.058 3.441 1.00 0.00 C ATOM 1050 O TYR A 67 -19.891 8.943 3.269 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.456 11.249 2.381 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.490 12.413 2.393 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.893 13.681 1.990 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.175 12.243 2.808 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -17.011 14.745 2.000 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.288 13.302 2.820 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.711 14.551 2.416 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.830 15.608 2.427 1.00 0.00 O ATOM 0 H TYR A 67 -18.330 10.549 5.085 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.115 12.182 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.892 10.319 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.975 11.229 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.911 13.837 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.841 11.267 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.339 15.724 1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.269 13.153 3.144 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.956 15.302 2.748 1.00 0.00 H new ATOM 1068 N MET A 68 -21.687 10.262 3.577 1.00 0.00 N ATOM 1069 CA MET A 68 -22.644 9.160 3.539 1.00 0.00 C ATOM 1070 C MET A 68 -23.060 8.839 2.100 1.00 0.00 C ATOM 1071 O MET A 68 -23.773 9.620 1.470 1.00 0.00 O ATOM 1072 CB MET A 68 -23.885 9.512 4.364 1.00 0.00 C ATOM 1073 CG MET A 68 -23.569 9.969 5.780 1.00 0.00 C ATOM 1074 SD MET A 68 -25.052 10.395 6.716 1.00 0.00 S ATOM 1075 CE MET A 68 -24.332 10.960 8.257 1.00 0.00 C ATOM 0 H MET A 68 -22.108 11.181 3.715 1.00 0.00 H new ATOM 0 HA MET A 68 -22.160 8.281 3.964 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.439 10.299 3.853 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.539 8.641 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.029 9.179 6.301 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.907 10.834 5.740 1.00 0.00 H new ATOM 0 HE1 MET A 68 -25.126 11.259 8.941 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.752 10.153 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.680 11.812 8.063 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.622 7.683 1.558 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.959 7.273 0.198 1.00 0.00 C ATOM 1087 C PRO A 69 -24.250 6.462 0.141 1.00 0.00 C ATOM 1088 O PRO A 69 -24.528 5.662 1.035 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.766 6.402 -0.182 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.355 5.750 1.097 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.756 6.684 2.217 1.00 0.00 C ATOM 0 HA PRO A 69 -23.131 8.120 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.039 5.662 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.956 6.999 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.841 4.781 1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.280 5.571 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.288 6.154 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.886 7.152 2.677 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.034 6.669 -0.913 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.290 5.948 -1.076 1.00 0.00 C ATOM 1101 C ASN A 70 -26.079 4.675 -1.889 1.00 0.00 C ATOM 1102 O ASN A 70 -24.963 4.386 -2.319 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.341 6.835 -1.745 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.835 7.460 -3.027 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.997 6.901 -4.110 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.218 8.626 -2.909 1.00 0.00 N ATOM 0 H ASN A 70 -24.822 7.327 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.651 5.671 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.230 6.242 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.642 7.622 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.855 9.097 -3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.106 9.053 -1.989 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.152 3.920 -2.101 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.073 2.673 -2.857 1.00 0.00 C ATOM 1115 C GLU A 71 -26.548 2.911 -4.271 1.00 0.00 C ATOM 1116 O GLU A 71 -26.019 1.998 -4.905 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.446 1.999 -2.914 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.522 2.855 -3.566 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.872 2.166 -3.601 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.148 1.449 -4.586 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.654 2.344 -2.644 1.00 0.00 O ATOM 0 H GLU A 71 -28.086 4.149 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.372 2.016 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.358 1.062 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.759 1.747 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.612 3.796 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.218 3.102 -4.583 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.697 4.135 -4.764 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.237 4.476 -6.107 1.00 0.00 C ATOM 1130 C VAL A 72 -24.801 4.998 -6.097 1.00 0.00 C ATOM 1131 O VAL A 72 -24.111 4.955 -7.116 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.147 5.537 -6.757 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.881 5.631 -8.252 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.610 5.228 -6.483 1.00 0.00 C ATOM 0 H VAL A 72 -27.131 4.906 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.277 3.556 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.917 6.505 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.534 6.386 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.841 5.909 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.078 4.665 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.236 5.988 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.859 4.250 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.786 5.224 -5.407 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.354 5.484 -4.943 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.003 6.030 -4.814 1.00 0.00 C ATOM 1146 C GLU A 73 -21.979 4.957 -4.455 1.00 0.00 C ATOM 1147 O GLU A 73 -20.978 4.793 -5.151 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.978 7.140 -3.761 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.494 8.476 -4.270 1.00 0.00 C ATOM 1150 CD GLU A 73 -22.626 9.056 -5.369 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -21.635 9.743 -5.041 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.935 8.824 -6.557 1.00 0.00 O ATOM 0 H GLU A 73 -24.904 5.512 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.728 6.439 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.578 6.831 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.956 7.267 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.510 8.350 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.544 9.182 -3.441 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.229 4.228 -3.371 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.306 3.188 -2.921 1.00 0.00 C ATOM 1161 C LEU A 74 -21.006 2.181 -4.034 1.00 0.00 C ATOM 1162 O LEU A 74 -20.052 1.408 -3.939 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.864 2.480 -1.678 1.00 0.00 C ATOM 1164 CG LEU A 74 -22.702 1.222 -1.933 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.120 0.588 -0.617 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.925 1.540 -2.769 1.00 0.00 C ATOM 0 H LEU A 74 -23.060 4.337 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.364 3.668 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.027 2.209 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -22.476 3.192 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.085 0.515 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.714 -0.304 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.232 0.313 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.714 1.299 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.500 0.629 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -24.543 2.270 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.613 1.950 -3.729 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.824 2.194 -5.083 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.636 1.289 -6.213 1.00 0.00 C ATOM 1180 C GLU A 75 -20.563 1.804 -7.169 1.00 0.00 C ATOM 1181 O GLU A 75 -19.677 1.055 -7.582 1.00 0.00 O ATOM 1182 CB GLU A 75 -22.948 1.099 -6.978 1.00 0.00 C ATOM 1183 CG GLU A 75 -23.959 0.224 -6.258 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.143 -0.137 -7.134 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.097 0.666 -7.205 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.113 -1.222 -7.753 1.00 0.00 O ATOM 0 H GLU A 75 -22.623 2.821 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.310 0.331 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.394 2.076 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.729 0.659 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.469 -0.689 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.315 0.743 -5.368 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.646 3.085 -7.519 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.688 3.686 -8.442 1.00 0.00 C ATOM 1195 C VAL A 76 -18.303 3.826 -7.820 1.00 0.00 C ATOM 1196 O VAL A 76 -17.306 3.932 -8.532 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.163 5.068 -8.935 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.501 4.949 -9.647 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.252 6.054 -7.781 1.00 0.00 C ATOM 0 H VAL A 76 -21.364 3.725 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.622 3.007 -9.292 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.429 5.447 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.821 5.934 -9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.399 4.284 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.244 4.544 -8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.589 7.021 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.961 5.684 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.270 6.165 -7.321 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.246 3.833 -6.495 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.976 3.961 -5.789 1.00 0.00 C ATOM 1211 C ILE A 77 -16.244 2.624 -5.722 1.00 0.00 C ATOM 1212 O ILE A 77 -15.015 2.580 -5.651 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.187 4.503 -4.362 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.884 5.862 -4.418 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.858 4.615 -3.629 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.921 6.050 -3.336 1.00 0.00 C ATOM 0 H ILE A 77 -19.061 3.752 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.366 4.669 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.820 3.805 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.135 6.650 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.360 5.978 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.028 4.999 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.392 3.631 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.200 5.295 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.376 7.036 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.690 5.284 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.446 5.966 -2.358 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.006 1.536 -5.755 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.436 0.196 -5.687 1.00 0.00 C ATOM 1230 C ILE A 78 -15.924 -0.269 -7.051 1.00 0.00 C ATOM 1231 O ILE A 78 -15.018 -1.099 -7.128 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.471 -0.821 -5.146 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.586 -0.702 -3.624 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.109 -2.249 -5.544 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.332 -1.116 -2.880 1.00 0.00 C ATOM 0 H ILE A 78 -18.023 1.557 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.591 0.244 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.437 -0.587 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.825 0.330 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.419 -1.317 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.856 -2.937 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.082 -2.328 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.130 -2.503 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.491 -1.004 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.102 -2.157 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.499 -0.485 -3.191 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.484 0.280 -8.125 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.080 -0.114 -9.471 1.00 0.00 C ATOM 1249 C GLN A 79 -14.792 0.587 -9.895 1.00 0.00 C ATOM 1250 O GLN A 79 -14.204 0.249 -10.922 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.192 0.194 -10.478 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.451 1.679 -10.666 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.461 1.959 -11.761 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.192 3.060 -11.625 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -18.583 1.197 -12.720 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.213 0.993 -8.091 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.896 -1.188 -9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.930 -0.245 -11.441 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.113 -0.288 -10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.810 2.103 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.513 2.181 -10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.001 0.362 -12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.266 1.401 -13.450 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.356 1.563 -9.104 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.135 2.301 -9.413 1.00 0.00 C ATOM 1266 C ARG A 80 -11.907 1.496 -9.007 1.00 0.00 C ATOM 1267 O ARG A 80 -10.858 1.579 -9.645 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.128 3.654 -8.698 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.320 4.538 -9.034 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.250 5.069 -10.458 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.605 4.050 -11.445 1.00 0.00 N ATOM 1272 CZ ARG A 80 -15.130 4.326 -12.635 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.355 5.583 -12.992 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.431 3.341 -13.472 1.00 0.00 N ATOM 0 H ARG A 80 -14.827 1.860 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.106 2.472 -10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.107 3.484 -7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.211 4.185 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.241 3.970 -8.903 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.360 5.375 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.922 5.921 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.242 5.432 -10.660 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.441 3.072 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.125 6.344 -12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.758 5.789 -13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.260 2.372 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.834 3.553 -14.385 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.047 0.716 -7.940 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.953 -0.106 -7.444 1.00 0.00 C ATOM 1290 C LEU A 81 -11.101 -1.545 -7.927 1.00 0.00 C ATOM 1291 O LEU A 81 -10.116 -2.202 -8.265 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.916 -0.066 -5.914 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.274 1.286 -5.288 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.166 1.218 -3.772 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.379 2.389 -5.837 1.00 0.00 C ATOM 0 H LEU A 81 -12.910 0.637 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.017 0.295 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.604 -0.820 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.917 -0.348 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.306 1.520 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.424 2.187 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.851 0.460 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.145 0.958 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.651 3.340 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.338 2.160 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.507 2.457 -6.917 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.340 -2.026 -7.953 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.628 -3.385 -8.397 1.00 0.00 C ATOM 1309 C ASP A 82 -12.490 -3.504 -9.912 1.00 0.00 C ATOM 1310 O ASP A 82 -13.476 -3.431 -10.647 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.037 -3.794 -7.962 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.392 -5.198 -8.403 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.488 -6.057 -8.428 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.576 -5.438 -8.720 1.00 0.00 O ATOM 0 H ASP A 82 -13.163 -1.493 -7.671 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.904 -4.056 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.113 -3.727 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.760 -3.092 -8.376 1.00 0.00 H new ATOM 1319 N MET A 83 -11.256 -3.682 -10.369 1.00 0.00 N ATOM 1320 CA MET A 83 -10.969 -3.806 -11.794 1.00 0.00 C ATOM 1321 C MET A 83 -11.358 -5.185 -12.327 1.00 0.00 C ATOM 1322 O MET A 83 -11.892 -5.302 -13.431 1.00 0.00 O ATOM 1323 CB MET A 83 -9.484 -3.546 -12.049 1.00 0.00 C ATOM 1324 CG MET A 83 -8.980 -2.258 -11.416 1.00 0.00 C ATOM 1325 SD MET A 83 -7.222 -1.979 -11.702 1.00 0.00 S ATOM 1326 CE MET A 83 -7.197 -1.772 -13.481 1.00 0.00 C ATOM 0 H MET A 83 -10.433 -3.744 -9.769 1.00 0.00 H new ATOM 0 HA MET A 83 -11.566 -3.063 -12.324 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.904 -4.384 -11.662 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.309 -3.507 -13.124 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.546 -1.417 -11.815 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.168 -2.288 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.260 -1.301 -13.779 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.283 -2.746 -13.962 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.033 -1.142 -13.786 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.089 -6.225 -11.543 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.408 -7.592 -11.951 1.00 0.00 C ATOM 1338 C ASP A 84 -12.917 -7.829 -11.985 1.00 0.00 C ATOM 1339 O ASP A 84 -13.400 -8.707 -12.700 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.738 -8.600 -11.017 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.204 -8.459 -9.583 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.065 -7.353 -9.019 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.703 -9.456 -9.022 1.00 0.00 O ATOM 0 H ASP A 84 -10.652 -6.149 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.023 -7.732 -12.961 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.949 -9.611 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.657 -8.467 -11.059 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.656 -7.042 -11.208 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.103 -7.173 -11.178 1.00 0.00 C ATOM 1350 C GLY A 85 -15.593 -8.283 -10.263 1.00 0.00 C ATOM 1351 O GLY A 85 -16.458 -9.070 -10.647 1.00 0.00 O ATOM 0 H GLY A 85 -13.279 -6.316 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.539 -6.228 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.464 -7.361 -12.189 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.043 -8.349 -9.053 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.452 -9.364 -8.087 1.00 0.00 C ATOM 1357 C ASP A 86 -16.448 -8.786 -7.087 1.00 0.00 C ATOM 1358 O ASP A 86 -16.782 -9.424 -6.088 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.238 -9.926 -7.344 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.572 -8.895 -6.456 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.697 -8.157 -6.953 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.928 -8.824 -5.260 1.00 0.00 O ATOM 0 H ASP A 86 -14.317 -7.715 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.933 -10.173 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.549 -10.776 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.514 -10.299 -8.068 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.919 -7.573 -7.364 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.875 -6.924 -6.484 1.00 0.00 C ATOM 1369 C GLY A 87 -17.228 -6.324 -5.249 1.00 0.00 C ATOM 1370 O GLY A 87 -17.831 -5.494 -4.568 1.00 0.00 O ATOM 0 H GLY A 87 -16.655 -7.027 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.393 -6.139 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.629 -7.649 -6.177 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.001 -6.745 -4.958 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.278 -6.244 -3.794 1.00 0.00 C ATOM 1376 C GLN A 88 -13.881 -5.764 -4.180 1.00 0.00 C ATOM 1377 O GLN A 88 -13.363 -6.118 -5.239 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.181 -7.333 -2.727 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.532 -7.879 -2.294 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.420 -8.949 -1.227 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.437 -8.654 -0.031 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.305 -10.200 -1.655 1.00 0.00 N ATOM 0 H GLN A 88 -15.487 -7.431 -5.511 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.831 -5.395 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.572 -8.152 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.664 -6.932 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.146 -7.060 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.047 -8.291 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.295 -10.398 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.226 -10.964 -0.983 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.279 -4.955 -3.313 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.944 -4.421 -3.558 1.00 0.00 C ATOM 1393 C VAL A 89 -10.875 -5.314 -2.937 1.00 0.00 C ATOM 1394 O VAL A 89 -10.923 -5.619 -1.745 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.795 -2.995 -2.995 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.423 -2.428 -3.325 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.895 -2.091 -3.528 1.00 0.00 C ATOM 0 H VAL A 89 -13.696 -4.654 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.809 -4.391 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.890 -3.043 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.338 -1.420 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.652 -3.062 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.294 -2.395 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.772 -1.088 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.836 -2.049 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.867 -2.487 -3.232 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.909 -5.728 -3.752 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.830 -6.588 -3.281 1.00 0.00 C ATOM 1409 C ASP A 90 -7.648 -5.765 -2.775 1.00 0.00 C ATOM 1410 O ASP A 90 -7.406 -4.654 -3.247 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.376 -7.534 -4.393 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.462 -8.513 -4.792 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -10.389 -8.105 -5.523 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.390 -9.686 -4.370 1.00 0.00 O ATOM 0 H ASP A 90 -9.852 -5.482 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.213 -7.179 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.077 -6.951 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.496 -8.085 -4.062 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.925 -6.317 -1.807 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.770 -5.645 -1.219 1.00 0.00 C ATOM 1421 C PHE A 91 -4.819 -5.113 -2.290 1.00 0.00 C ATOM 1422 O PHE A 91 -4.515 -3.920 -2.319 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.029 -6.607 -0.286 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.856 -5.993 0.427 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.979 -4.778 1.083 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.629 -6.636 0.443 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.903 -4.217 1.741 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.547 -6.080 1.100 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.685 -4.869 1.750 1.00 0.00 C ATOM 0 H PHE A 91 -7.120 -7.236 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.134 -4.791 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.731 -6.989 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.681 -7.462 -0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.929 -4.264 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.516 -7.583 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.013 -3.270 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.596 -6.591 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.842 -4.432 2.265 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.360 -5.999 -3.168 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.429 -5.622 -4.233 1.00 0.00 C ATOM 1441 C GLU A 92 -3.941 -4.431 -5.042 1.00 0.00 C ATOM 1442 O GLU A 92 -3.252 -3.421 -5.181 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.183 -6.808 -5.165 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.482 -7.978 -4.493 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.206 -9.118 -5.452 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.164 -9.076 -6.140 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.030 -10.054 -5.516 1.00 0.00 O ATOM 0 H GLU A 92 -4.617 -6.986 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.493 -5.328 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.138 -7.149 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.584 -6.475 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.542 -7.635 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.097 -8.341 -3.669 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.142 -4.555 -5.588 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.728 -3.480 -6.382 1.00 0.00 C ATOM 1456 C GLU A 93 -5.733 -2.158 -5.614 1.00 0.00 C ATOM 1457 O GLU A 93 -5.734 -1.082 -6.214 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.154 -3.850 -6.796 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.227 -5.094 -7.667 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.651 -5.551 -7.914 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.327 -4.952 -8.775 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.090 -6.510 -7.246 1.00 0.00 O ATOM 0 H GLU A 93 -5.729 -5.384 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.115 -3.349 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.755 -4.007 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.597 -3.012 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.743 -4.893 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.668 -5.900 -7.191 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.717 -2.245 -4.287 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.745 -1.053 -3.447 1.00 0.00 C ATOM 1471 C PHE A 94 -4.342 -0.544 -3.116 1.00 0.00 C ATOM 1472 O PHE A 94 -4.128 0.664 -3.013 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.512 -1.335 -2.154 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.752 -0.109 -1.320 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.713 0.819 -1.689 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.017 0.117 -0.169 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.934 1.949 -0.926 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.234 1.245 0.599 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.194 2.161 0.221 1.00 0.00 C ATOM 0 H PHE A 94 -5.685 -3.125 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.253 -0.273 -4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.471 -1.790 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.957 -2.064 -1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.296 0.657 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.265 -0.597 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.684 2.666 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.653 1.409 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.367 3.042 0.821 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.387 -1.457 -2.948 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.021 -1.064 -2.616 1.00 0.00 C ATOM 1491 C VAL A 95 -1.376 -0.281 -3.752 1.00 0.00 C ATOM 1492 O VAL A 95 -0.540 0.590 -3.516 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.129 -2.273 -2.270 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.684 -3.018 -1.073 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.975 -3.203 -3.461 1.00 0.00 C ATOM 0 H VAL A 95 -3.532 -2.463 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.099 -0.429 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.138 -1.897 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.041 -3.868 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.721 -2.349 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.689 -3.374 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.341 -4.045 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.955 -3.571 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.518 -2.661 -4.289 1.00 0.00 H new ATOM 1505 N THR A 96 -1.762 -0.597 -4.984 1.00 0.00 N ATOM 1506 CA THR A 96 -1.213 0.081 -6.148 1.00 0.00 C ATOM 1507 C THR A 96 -1.823 1.469 -6.321 1.00 0.00 C ATOM 1508 O THR A 96 -1.109 2.445 -6.550 1.00 0.00 O ATOM 1509 CB THR A 96 -1.447 -0.734 -7.435 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.902 -2.051 -7.287 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.809 -0.050 -8.635 1.00 0.00 C ATOM 0 H THR A 96 -2.452 -1.317 -5.200 1.00 0.00 H new ATOM 0 HA THR A 96 -0.141 0.179 -5.977 1.00 0.00 H new ATOM 0 HB THR A 96 -2.522 -0.801 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.056 -2.563 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.988 -0.645 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.245 0.940 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.264 0.045 -8.471 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.147 1.550 -6.212 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.846 2.823 -6.361 1.00 0.00 C ATOM 1521 C LEU A 97 -3.451 3.805 -5.260 1.00 0.00 C ATOM 1522 O LEU A 97 -3.714 5.003 -5.363 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.362 2.603 -6.350 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.904 1.758 -7.506 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.384 1.473 -7.310 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.669 2.459 -8.837 1.00 0.00 C ATOM 0 H LEU A 97 -3.755 0.753 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.555 3.253 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.637 2.124 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.855 3.575 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.368 0.809 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.752 0.871 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.529 0.929 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.934 2.413 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.061 1.843 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.178 3.423 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.600 2.613 -8.983 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.819 3.291 -4.207 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.392 4.128 -3.090 1.00 0.00 C ATOM 1540 C LEU A 98 -0.874 4.293 -3.078 1.00 0.00 C ATOM 1541 O LEU A 98 -0.351 5.277 -2.556 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.867 3.524 -1.763 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.790 4.455 -0.549 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -3.895 4.126 0.443 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.430 4.350 0.127 1.00 0.00 C ATOM 0 H LEU A 98 -2.592 2.302 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.841 5.113 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.900 3.196 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.272 2.635 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.924 5.479 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.826 4.796 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.865 4.251 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.787 3.095 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.398 5.020 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.267 3.325 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.649 4.630 -0.580 1.00 0.00 H new