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 50 ASN : amide:sc= -0.87 K(o=-2.7,f=-8!) USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -1.86! C(o=-5!,f=-2.7!) USER MOD Set 2.1: A 54 SER OG : rot -129:sc= 0.766 USER MOD Set 2.2: A 55 LYS NZ :NH3+ -153:sc= -0.926! (180deg=-2.83!) USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= -0.0847 (180deg=-0.793) USER MOD Single : A 56 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.11) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -161:sc= -0.0983 (180deg=-0.61) 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 -153:sc= -0.212 (180deg=-0.897) USER MOD Single : A 70 ASN : amide:sc= -2.42 K(o=-2.4,f=-8.5!) USER MOD Single : A 79 GLN : amide:sc= -0.0442 X(o=-0.044,f=-0.43) USER MOD Single : A 83 MET CE :methyl 159:sc= -0.182 (180deg=-0.811) USER MOD Single : A 96 THR OG1 : rot 79:sc= 0.00487 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.742 1.054 5.439 1.00 0.00 N ATOM 545 CA LEU A 35 1.819 0.101 4.836 1.00 0.00 C ATOM 546 C LEU A 35 0.731 -0.332 5.818 1.00 0.00 C ATOM 547 O LEU A 35 -0.410 -0.571 5.423 1.00 0.00 O ATOM 548 CB LEU A 35 2.580 -1.126 4.324 1.00 0.00 C ATOM 549 CG LEU A 35 2.073 -1.701 2.998 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.934 -2.874 2.564 1.00 0.00 C ATOM 551 CD2 LEU A 35 0.618 -2.131 3.112 1.00 0.00 C ATOM 0 HA LEU A 35 1.334 0.601 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.631 -0.860 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.531 -1.907 5.083 1.00 0.00 H new ATOM 0 HG LEU A 35 2.140 -0.918 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.560 -3.270 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.964 -2.541 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.897 -3.654 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.282 -2.536 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.524 -2.895 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.004 -1.270 3.377 1.00 0.00 H new ATOM 563 N GLU A 36 1.084 -0.434 7.096 1.00 0.00 N ATOM 564 CA GLU A 36 0.129 -0.846 8.120 1.00 0.00 C ATOM 565 C GLU A 36 -1.085 0.076 8.127 1.00 0.00 C ATOM 566 O GLU A 36 -2.193 -0.341 8.465 1.00 0.00 O ATOM 567 CB GLU A 36 0.788 -0.855 9.500 1.00 0.00 C ATOM 568 CG GLU A 36 1.317 0.501 9.932 1.00 0.00 C ATOM 569 CD GLU A 36 1.958 0.465 11.306 1.00 0.00 C ATOM 570 OE1 GLU A 36 3.175 0.195 11.387 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.242 0.705 12.300 1.00 0.00 O ATOM 0 H GLU A 36 2.021 -0.238 7.447 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.202 -1.857 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.064 -1.204 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.610 -1.571 9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.048 0.851 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.499 1.222 9.935 1.00 0.00 H new ATOM 578 N GLU A 37 -0.866 1.332 7.752 1.00 0.00 N ATOM 579 CA GLU A 37 -1.942 2.312 7.704 1.00 0.00 C ATOM 580 C GLU A 37 -2.921 1.965 6.589 1.00 0.00 C ATOM 581 O GLU A 37 -4.113 2.261 6.676 1.00 0.00 O ATOM 582 CB GLU A 37 -1.371 3.716 7.487 1.00 0.00 C ATOM 583 CG GLU A 37 -2.428 4.809 7.467 1.00 0.00 C ATOM 584 CD GLU A 37 -3.176 4.921 8.780 1.00 0.00 C ATOM 585 OE1 GLU A 37 -2.693 5.641 9.679 1.00 0.00 O ATOM 586 OE2 GLU A 37 -4.245 4.286 8.910 1.00 0.00 O ATOM 0 H GLU A 37 0.047 1.694 7.477 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.473 2.294 8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.652 3.932 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.824 3.735 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.954 5.764 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.138 4.608 6.665 1.00 0.00 H new ATOM 593 N ILE A 38 -2.405 1.331 5.541 1.00 0.00 N ATOM 594 CA ILE A 38 -3.222 0.933 4.402 1.00 0.00 C ATOM 595 C ILE A 38 -4.158 -0.213 4.774 1.00 0.00 C ATOM 596 O ILE A 38 -5.359 -0.158 4.511 1.00 0.00 O ATOM 597 CB ILE A 38 -2.345 0.500 3.207 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.357 1.612 2.844 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.219 0.148 2.010 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.356 1.212 1.780 1.00 0.00 C ATOM 0 H ILE A 38 -1.420 1.081 5.458 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.813 1.803 4.113 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.778 -0.386 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.914 2.482 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.818 1.915 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.587 -0.155 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.887 -0.671 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.809 1.018 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.311 2.049 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.228 0.361 2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.885 0.937 0.868 1.00 0.00 H new ATOM 612 N ARG A 39 -3.595 -1.249 5.389 1.00 0.00 N ATOM 613 CA ARG A 39 -4.374 -2.414 5.794 1.00 0.00 C ATOM 614 C ARG A 39 -5.345 -2.071 6.914 1.00 0.00 C ATOM 615 O ARG A 39 -6.548 -2.004 6.694 1.00 0.00 O ATOM 616 CB ARG A 39 -3.445 -3.540 6.251 1.00 0.00 C ATOM 617 CG ARG A 39 -2.481 -4.004 5.176 1.00 0.00 C ATOM 618 CD ARG A 39 -1.045 -3.997 5.675 1.00 0.00 C ATOM 619 NE ARG A 39 -0.845 -4.922 6.786 1.00 0.00 N ATOM 620 CZ ARG A 39 0.288 -5.014 7.477 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.321 -4.240 7.171 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.388 -5.880 8.477 1.00 0.00 N ATOM 0 H ARG A 39 -2.603 -1.305 5.618 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.949 -2.743 4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.876 -3.202 7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.048 -4.387 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.750 -5.010 4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.567 -3.356 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.376 -4.264 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.776 -2.989 5.990 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.619 -5.533 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.248 -3.572 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.188 -4.313 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.404 -6.476 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.257 -5.950 9.006 1.00 0.00 H new ATOM 636 N GLU A 40 -4.811 -1.824 8.107 1.00 0.00 N ATOM 637 CA GLU A 40 -5.633 -1.505 9.274 1.00 0.00 C ATOM 638 C GLU A 40 -6.812 -0.603 8.913 1.00 0.00 C ATOM 639 O GLU A 40 -7.874 -0.689 9.522 1.00 0.00 O ATOM 640 CB GLU A 40 -4.778 -0.835 10.353 1.00 0.00 C ATOM 641 CG GLU A 40 -5.523 -0.591 11.654 1.00 0.00 C ATOM 642 CD GLU A 40 -4.670 0.111 12.692 1.00 0.00 C ATOM 643 OE1 GLU A 40 -3.906 -0.579 13.399 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.763 1.353 12.797 1.00 0.00 O ATOM 0 H GLU A 40 -3.808 -1.838 8.293 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.037 -2.443 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.907 -1.459 10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.407 0.117 9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.411 0.009 11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.867 -1.544 12.056 1.00 0.00 H new ATOM 651 N ALA A 41 -6.627 0.245 7.908 1.00 0.00 N ATOM 652 CA ALA A 41 -7.677 1.162 7.482 1.00 0.00 C ATOM 653 C ALA A 41 -8.900 0.431 6.922 1.00 0.00 C ATOM 654 O ALA A 41 -9.887 0.214 7.628 1.00 0.00 O ATOM 655 CB ALA A 41 -7.134 2.138 6.449 1.00 0.00 C ATOM 0 H ALA A 41 -5.761 0.317 7.374 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.004 1.709 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.927 2.818 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.315 2.711 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.770 1.586 5.583 1.00 0.00 H new ATOM 661 N PHE A 42 -8.824 0.037 5.655 1.00 0.00 N ATOM 662 CA PHE A 42 -9.941 -0.629 4.993 1.00 0.00 C ATOM 663 C PHE A 42 -10.076 -2.096 5.398 1.00 0.00 C ATOM 664 O PHE A 42 -11.176 -2.647 5.379 1.00 0.00 O ATOM 665 CB PHE A 42 -9.787 -0.513 3.476 1.00 0.00 C ATOM 666 CG PHE A 42 -10.153 0.843 2.944 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.328 1.934 3.162 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.326 1.026 2.230 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.665 3.184 2.676 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.668 2.273 1.742 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.838 3.352 1.965 1.00 0.00 C ATOM 0 H PHE A 42 -8.001 0.167 5.066 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.854 -0.127 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.755 -0.736 3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.413 -1.265 2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.411 1.807 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.980 0.185 2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.013 4.027 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.585 2.403 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.105 4.327 1.584 1.00 0.00 H new ATOM 681 N LYS A 43 -8.965 -2.724 5.762 1.00 0.00 N ATOM 682 CA LYS A 43 -8.982 -4.128 6.161 1.00 0.00 C ATOM 683 C LYS A 43 -9.938 -4.361 7.329 1.00 0.00 C ATOM 684 O LYS A 43 -10.652 -5.365 7.358 1.00 0.00 O ATOM 685 CB LYS A 43 -7.578 -4.607 6.534 1.00 0.00 C ATOM 686 CG LYS A 43 -7.298 -6.044 6.130 1.00 0.00 C ATOM 687 CD LYS A 43 -6.266 -6.120 5.012 1.00 0.00 C ATOM 688 CE LYS A 43 -6.724 -5.372 3.767 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.996 -5.921 3.222 1.00 0.00 N ATOM 0 H LYS A 43 -8.044 -2.287 5.790 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.335 -4.705 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.843 -3.956 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.444 -4.509 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.940 -6.603 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.224 -6.518 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.322 -5.702 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.079 -7.164 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.858 -4.317 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.948 -5.429 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.874 -6.145 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.251 -6.786 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.753 -5.216 3.330 1.00 0.00 H new ATOM 703 N VAL A 44 -9.955 -3.441 8.296 1.00 0.00 N ATOM 704 CA VAL A 44 -10.839 -3.587 9.449 1.00 0.00 C ATOM 705 C VAL A 44 -12.291 -3.319 9.071 1.00 0.00 C ATOM 706 O VAL A 44 -13.200 -3.960 9.597 1.00 0.00 O ATOM 707 CB VAL A 44 -10.440 -2.668 10.621 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.005 -2.934 11.048 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.639 -1.204 10.260 1.00 0.00 C ATOM 0 H VAL A 44 -9.376 -2.601 8.303 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.734 -4.621 9.778 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.092 -2.894 11.465 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.744 -2.275 11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.906 -3.972 11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.335 -2.746 10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.350 -0.578 11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.022 -0.955 9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.688 -1.028 10.020 1.00 0.00 H new ATOM 719 N PHE A 45 -12.513 -2.367 8.160 1.00 0.00 N ATOM 720 CA PHE A 45 -13.872 -2.049 7.727 1.00 0.00 C ATOM 721 C PHE A 45 -14.551 -3.284 7.143 1.00 0.00 C ATOM 722 O PHE A 45 -15.777 -3.339 7.035 1.00 0.00 O ATOM 723 CB PHE A 45 -13.879 -0.909 6.701 1.00 0.00 C ATOM 724 CG PHE A 45 -13.525 0.434 7.281 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.158 0.903 8.422 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.564 1.229 6.680 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.837 2.138 8.952 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.238 2.464 7.206 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.875 2.920 8.343 1.00 0.00 C ATOM 0 H PHE A 45 -11.781 -1.813 7.716 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.429 -1.720 8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.175 -1.147 5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.868 -0.848 6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.911 0.296 8.902 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.063 0.879 5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.338 2.491 9.841 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.485 3.073 6.728 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.622 3.886 8.755 1.00 0.00 H new ATOM 739 N ASP A 46 -13.744 -4.274 6.769 1.00 0.00 N ATOM 740 CA ASP A 46 -14.266 -5.515 6.210 1.00 0.00 C ATOM 741 C ASP A 46 -14.957 -6.330 7.298 1.00 0.00 C ATOM 742 O ASP A 46 -14.326 -7.139 7.980 1.00 0.00 O ATOM 743 CB ASP A 46 -13.131 -6.329 5.580 1.00 0.00 C ATOM 744 CG ASP A 46 -13.631 -7.506 4.764 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.815 -7.876 4.912 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.837 -8.059 3.975 1.00 0.00 O ATOM 0 H ASP A 46 -12.727 -4.240 6.843 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.995 -5.273 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.535 -5.678 4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.471 -6.693 6.368 1.00 0.00 H new ATOM 751 N ARG A 47 -16.257 -6.106 7.456 1.00 0.00 N ATOM 752 CA ARG A 47 -17.044 -6.802 8.469 1.00 0.00 C ATOM 753 C ARG A 47 -16.918 -8.317 8.336 1.00 0.00 C ATOM 754 O ARG A 47 -16.818 -9.027 9.337 1.00 0.00 O ATOM 755 CB ARG A 47 -18.513 -6.387 8.370 1.00 0.00 C ATOM 756 CG ARG A 47 -18.727 -4.887 8.486 1.00 0.00 C ATOM 757 CD ARG A 47 -20.202 -4.540 8.616 1.00 0.00 C ATOM 758 NE ARG A 47 -20.976 -4.998 7.466 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.904 -4.263 6.861 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.168 -3.035 7.288 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.571 -4.754 5.826 1.00 0.00 N ATOM 0 H ARG A 47 -16.791 -5.444 6.892 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.653 -6.519 9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.916 -6.731 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.078 -6.889 9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.186 -4.508 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.312 -4.391 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.602 -4.991 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.312 -3.461 8.721 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.794 -5.935 7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.658 -2.651 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.881 -2.475 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.373 -5.697 5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.283 -4.189 5.363 1.00 0.00 H new ATOM 775 N ASP A 48 -16.923 -8.809 7.101 1.00 0.00 N ATOM 776 CA ASP A 48 -16.810 -10.243 6.855 1.00 0.00 C ATOM 777 C ASP A 48 -15.367 -10.717 7.006 1.00 0.00 C ATOM 778 O ASP A 48 -15.110 -11.906 7.192 1.00 0.00 O ATOM 779 CB ASP A 48 -17.323 -10.584 5.454 1.00 0.00 C ATOM 780 CG ASP A 48 -18.728 -10.068 5.211 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.690 -10.761 5.604 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.866 -8.971 4.629 1.00 0.00 O ATOM 0 H ASP A 48 -17.004 -8.239 6.259 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.420 -10.758 7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.649 -10.159 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.307 -11.665 5.318 1.00 0.00 H new ATOM 787 N GLY A 49 -14.431 -9.774 6.927 1.00 0.00 N ATOM 788 CA GLY A 49 -13.023 -10.103 7.063 1.00 0.00 C ATOM 789 C GLY A 49 -12.561 -11.158 6.076 1.00 0.00 C ATOM 790 O GLY A 49 -11.521 -11.787 6.275 1.00 0.00 O ATOM 0 H GLY A 49 -14.624 -8.785 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.430 -9.199 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.835 -10.455 8.077 1.00 0.00 H new ATOM 794 N ASN A 50 -13.329 -11.351 5.008 1.00 0.00 N ATOM 795 CA ASN A 50 -12.987 -12.341 3.991 1.00 0.00 C ATOM 796 C ASN A 50 -11.834 -11.854 3.118 1.00 0.00 C ATOM 797 O ASN A 50 -11.406 -12.548 2.195 1.00 0.00 O ATOM 798 CB ASN A 50 -14.207 -12.659 3.121 1.00 0.00 C ATOM 799 CG ASN A 50 -14.803 -11.424 2.471 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.650 -10.308 2.967 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.498 -11.621 1.356 1.00 0.00 N ATOM 0 H ASN A 50 -14.190 -10.837 4.824 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.670 -13.250 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.920 -13.369 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.967 -13.145 3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.929 -10.830 0.877 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.600 -12.563 0.979 1.00 0.00 H new ATOM 808 N GLY A 51 -11.332 -10.659 3.417 1.00 0.00 N ATOM 809 CA GLY A 51 -10.231 -10.104 2.652 1.00 0.00 C ATOM 810 C GLY A 51 -10.700 -9.149 1.572 1.00 0.00 C ATOM 811 O GLY A 51 -9.894 -8.442 0.968 1.00 0.00 O ATOM 0 H GLY A 51 -11.669 -10.066 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.552 -9.581 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.665 -10.915 2.195 1.00 0.00 H new ATOM 815 N PHE A 52 -12.007 -9.131 1.328 1.00 0.00 N ATOM 816 CA PHE A 52 -12.583 -8.255 0.315 1.00 0.00 C ATOM 817 C PHE A 52 -13.645 -7.352 0.932 1.00 0.00 C ATOM 818 O PHE A 52 -14.385 -7.769 1.822 1.00 0.00 O ATOM 819 CB PHE A 52 -13.193 -9.079 -0.820 1.00 0.00 C ATOM 820 CG PHE A 52 -12.440 -10.345 -1.113 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.355 -10.342 -1.976 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.818 -11.539 -0.523 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.662 -11.507 -2.242 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.130 -12.707 -0.785 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.050 -12.692 -1.645 1.00 0.00 C ATOM 0 H PHE A 52 -12.686 -9.713 1.818 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.786 -7.632 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.223 -9.329 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.228 -8.469 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.048 -9.419 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.662 -11.557 0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.818 -11.492 -2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.436 -13.631 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.509 -13.604 -1.851 1.00 0.00 H new ATOM 835 N ILE A 53 -13.719 -6.115 0.453 1.00 0.00 N ATOM 836 CA ILE A 53 -14.684 -5.152 0.971 1.00 0.00 C ATOM 837 C ILE A 53 -15.785 -4.858 -0.046 1.00 0.00 C ATOM 838 O ILE A 53 -15.550 -4.204 -1.062 1.00 0.00 O ATOM 839 CB ILE A 53 -13.984 -3.836 1.364 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.915 -4.109 2.425 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.999 -2.823 1.875 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.732 -3.171 2.347 1.00 0.00 C ATOM 0 H ILE A 53 -13.123 -5.756 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.140 -5.597 1.855 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.502 -3.417 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.367 -4.029 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.562 -5.135 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.487 -1.900 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.730 -2.615 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.508 -3.228 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.015 -3.423 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.255 -3.268 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.072 -2.144 2.484 1.00 0.00 H new ATOM 854 N SER A 54 -16.987 -5.346 0.245 1.00 0.00 N ATOM 855 CA SER A 54 -18.136 -5.141 -0.632 1.00 0.00 C ATOM 856 C SER A 54 -18.575 -3.678 -0.621 1.00 0.00 C ATOM 857 O SER A 54 -17.964 -2.845 0.048 1.00 0.00 O ATOM 858 CB SER A 54 -19.295 -6.044 -0.205 1.00 0.00 C ATOM 859 OG SER A 54 -20.384 -5.943 -1.104 1.00 0.00 O ATOM 0 H SER A 54 -17.191 -5.888 1.084 1.00 0.00 H new ATOM 0 HA SER A 54 -17.841 -5.401 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.955 -7.078 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.622 -5.770 0.798 1.00 0.00 H new ATOM 0 HG SER A 54 -21.208 -5.770 -0.602 1.00 0.00 H new ATOM 865 N LYS A 55 -19.636 -3.369 -1.362 1.00 0.00 N ATOM 866 CA LYS A 55 -20.146 -2.002 -1.442 1.00 0.00 C ATOM 867 C LYS A 55 -20.658 -1.515 -0.088 1.00 0.00 C ATOM 868 O LYS A 55 -20.289 -0.434 0.373 1.00 0.00 O ATOM 869 CB LYS A 55 -21.274 -1.906 -2.475 1.00 0.00 C ATOM 870 CG LYS A 55 -20.850 -2.238 -3.900 1.00 0.00 C ATOM 871 CD LYS A 55 -20.800 -3.739 -4.151 1.00 0.00 C ATOM 872 CE LYS A 55 -22.181 -4.370 -4.078 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.505 -4.852 -2.705 1.00 0.00 N ATOM 0 H LYS A 55 -20.160 -4.047 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.316 -1.365 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.078 -2.581 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.683 -0.896 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.546 -1.777 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.868 -1.806 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.365 -3.929 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.146 -4.209 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.929 -3.642 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.235 -5.205 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.184 -5.638 -2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.635 -5.180 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.922 -4.075 -2.154 1.00 0.00 H new ATOM 887 N GLN A 56 -21.508 -2.318 0.543 1.00 0.00 N ATOM 888 CA GLN A 56 -22.089 -1.961 1.835 1.00 0.00 C ATOM 889 C GLN A 56 -21.009 -1.706 2.882 1.00 0.00 C ATOM 890 O GLN A 56 -21.154 -0.831 3.735 1.00 0.00 O ATOM 891 CB GLN A 56 -23.029 -3.067 2.320 1.00 0.00 C ATOM 892 CG GLN A 56 -24.102 -3.446 1.311 1.00 0.00 C ATOM 893 CD GLN A 56 -24.985 -2.274 0.927 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.999 -2.009 1.571 1.00 0.00 O ATOM 895 NE2 GLN A 56 -24.604 -1.567 -0.131 1.00 0.00 N ATOM 0 H GLN A 56 -21.811 -3.222 0.181 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.655 -1.040 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.440 -3.952 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.510 -2.744 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.627 -3.847 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.721 -4.241 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.755 -1.822 -0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.160 -0.769 -0.438 1.00 0.00 H new ATOM 904 N GLU A 57 -19.926 -2.472 2.809 1.00 0.00 N ATOM 905 CA GLU A 57 -18.827 -2.332 3.758 1.00 0.00 C ATOM 906 C GLU A 57 -18.037 -1.051 3.506 1.00 0.00 C ATOM 907 O GLU A 57 -17.778 -0.278 4.431 1.00 0.00 O ATOM 908 CB GLU A 57 -17.904 -3.549 3.673 1.00 0.00 C ATOM 909 CG GLU A 57 -18.604 -4.860 3.991 1.00 0.00 C ATOM 910 CD GLU A 57 -17.693 -6.062 3.839 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.941 -6.361 4.789 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.732 -6.705 2.769 1.00 0.00 O ATOM 0 H GLU A 57 -19.785 -3.195 2.104 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.250 -2.272 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.481 -3.605 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.071 -3.413 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.985 -4.825 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.465 -4.976 3.333 1.00 0.00 H new ATOM 919 N LEU A 58 -17.658 -0.824 2.252 1.00 0.00 N ATOM 920 CA LEU A 58 -16.898 0.370 1.897 1.00 0.00 C ATOM 921 C LEU A 58 -17.725 1.623 2.159 1.00 0.00 C ATOM 922 O LEU A 58 -17.184 2.723 2.281 1.00 0.00 O ATOM 923 CB LEU A 58 -16.474 0.325 0.429 1.00 0.00 C ATOM 924 CG LEU A 58 -15.448 1.386 0.025 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.104 0.741 -0.272 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.939 2.179 -1.177 1.00 0.00 C ATOM 0 H LEU A 58 -17.863 -1.446 1.470 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.003 0.399 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.060 -0.660 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.361 0.441 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.322 2.076 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.386 1.510 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.745 0.222 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.215 0.028 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.195 2.928 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.097 1.504 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.878 2.674 -0.928 1.00 0.00 H new ATOM 938 N GLY A 59 -19.040 1.446 2.248 1.00 0.00 N ATOM 939 CA GLY A 59 -19.922 2.568 2.504 1.00 0.00 C ATOM 940 C GLY A 59 -19.685 3.166 3.873 1.00 0.00 C ATOM 941 O GLY A 59 -19.990 4.334 4.114 1.00 0.00 O ATOM 0 H GLY A 59 -19.509 0.546 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.769 3.332 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.959 2.241 2.424 1.00 0.00 H new ATOM 945 N THR A 60 -19.138 2.356 4.774 1.00 0.00 N ATOM 946 CA THR A 60 -18.844 2.803 6.128 1.00 0.00 C ATOM 947 C THR A 60 -17.434 3.378 6.196 1.00 0.00 C ATOM 948 O THR A 60 -17.107 4.158 7.091 1.00 0.00 O ATOM 949 CB THR A 60 -18.971 1.652 7.144 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.220 0.975 6.961 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.878 2.172 8.571 1.00 0.00 C ATOM 0 H THR A 60 -18.889 1.384 4.589 1.00 0.00 H new ATOM 0 HA THR A 60 -19.572 3.572 6.385 1.00 0.00 H new ATOM 0 HB THR A 60 -18.149 0.957 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.294 0.243 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.971 1.339 9.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.916 2.663 8.717 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.681 2.887 8.751 1.00 0.00 H new ATOM 959 N ALA A 61 -16.603 2.979 5.238 1.00 0.00 N ATOM 960 CA ALA A 61 -15.227 3.454 5.168 1.00 0.00 C ATOM 961 C ALA A 61 -15.169 4.909 4.712 1.00 0.00 C ATOM 962 O ALA A 61 -14.376 5.699 5.225 1.00 0.00 O ATOM 963 CB ALA A 61 -14.417 2.576 4.225 1.00 0.00 C ATOM 0 H ALA A 61 -16.860 2.326 4.498 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.797 3.396 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.391 2.940 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.422 1.549 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.857 2.609 3.228 1.00 0.00 H new ATOM 969 N MET A 62 -16.012 5.254 3.744 1.00 0.00 N ATOM 970 CA MET A 62 -16.057 6.612 3.211 1.00 0.00 C ATOM 971 C MET A 62 -16.609 7.600 4.233 1.00 0.00 C ATOM 972 O MET A 62 -16.036 8.670 4.442 1.00 0.00 O ATOM 973 CB MET A 62 -16.904 6.650 1.938 1.00 0.00 C ATOM 974 CG MET A 62 -16.309 5.851 0.790 1.00 0.00 C ATOM 975 SD MET A 62 -14.677 6.444 0.303 1.00 0.00 S ATOM 976 CE MET A 62 -15.057 8.123 -0.193 1.00 0.00 C ATOM 0 H MET A 62 -16.675 4.611 3.312 1.00 0.00 H new ATOM 0 HA MET A 62 -15.035 6.910 2.976 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.899 6.265 2.161 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.027 7.686 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.239 4.803 1.080 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.980 5.900 -0.068 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.254 8.507 -0.822 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.992 8.134 -0.752 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.156 8.750 0.693 1.00 0.00 H new ATOM 986 N ARG A 63 -17.726 7.244 4.863 1.00 0.00 N ATOM 987 CA ARG A 63 -18.349 8.114 5.858 1.00 0.00 C ATOM 988 C ARG A 63 -17.373 8.448 6.980 1.00 0.00 C ATOM 989 O ARG A 63 -17.493 9.487 7.631 1.00 0.00 O ATOM 990 CB ARG A 63 -19.608 7.460 6.434 1.00 0.00 C ATOM 991 CG ARG A 63 -19.337 6.173 7.193 1.00 0.00 C ATOM 992 CD ARG A 63 -20.616 5.580 7.758 1.00 0.00 C ATOM 993 NE ARG A 63 -21.579 5.255 6.708 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.496 4.297 6.816 1.00 0.00 C ATOM 995 NH1 ARG A 63 -22.574 3.571 7.924 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.336 4.065 5.817 1.00 0.00 N ATOM 0 H ARG A 63 -18.216 6.364 4.704 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.631 9.042 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.101 8.167 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.303 7.252 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.862 5.451 6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.636 6.369 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.379 4.679 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.065 6.286 8.456 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.546 5.794 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.930 3.747 8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.278 2.837 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.280 4.621 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.038 3.330 5.901 1.00 0.00 H new ATOM 1010 N SER A 64 -16.407 7.562 7.202 1.00 0.00 N ATOM 1011 CA SER A 64 -15.407 7.766 8.243 1.00 0.00 C ATOM 1012 C SER A 64 -14.603 9.035 7.979 1.00 0.00 C ATOM 1013 O SER A 64 -14.339 9.817 8.893 1.00 0.00 O ATOM 1014 CB SER A 64 -14.468 6.561 8.323 1.00 0.00 C ATOM 1015 OG SER A 64 -13.496 6.738 9.339 1.00 0.00 O ATOM 0 H SER A 64 -16.296 6.696 6.675 1.00 0.00 H new ATOM 0 HA SER A 64 -15.926 7.875 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.046 5.658 8.522 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.973 6.418 7.363 1.00 0.00 H new ATOM 0 HG SER A 64 -12.909 5.954 9.371 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.216 9.233 6.722 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.441 10.407 6.334 1.00 0.00 C ATOM 1023 C LEU A 65 -14.295 11.670 6.404 1.00 0.00 C ATOM 1024 O LEU A 65 -13.770 12.784 6.413 1.00 0.00 O ATOM 1025 CB LEU A 65 -12.888 10.229 4.917 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.321 8.839 4.609 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.843 8.766 3.167 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.188 8.495 5.565 1.00 0.00 C ATOM 0 H LEU A 65 -14.427 8.595 5.954 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.611 10.513 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.683 10.446 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.104 10.968 4.755 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.117 8.107 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.444 7.772 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.679 8.964 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.063 9.510 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.800 7.504 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.390 9.231 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.561 8.504 6.589 1.00 0.00 H new ATOM 1040 N GLY A 66 -15.611 11.488 6.451 1.00 0.00 N ATOM 1041 CA GLY A 66 -16.518 12.621 6.518 1.00 0.00 C ATOM 1042 C GLY A 66 -17.429 12.701 5.310 1.00 0.00 C ATOM 1043 O GLY A 66 -18.137 13.690 5.121 1.00 0.00 O ATOM 0 H GLY A 66 -16.067 10.575 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.123 12.546 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.940 13.542 6.596 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.409 11.655 4.491 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.239 11.602 3.292 1.00 0.00 C ATOM 1049 C TYR A 67 -19.163 10.390 3.328 1.00 0.00 C ATOM 1050 O TYR A 67 -18.759 9.283 2.973 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.361 11.546 2.040 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.332 12.652 1.964 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.668 13.907 1.469 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.024 12.439 2.383 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.730 14.918 1.396 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.081 13.446 2.311 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.439 14.684 1.818 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.502 15.688 1.745 1.00 0.00 O ATOM 0 H TYR A 67 -16.826 10.831 4.636 1.00 0.00 H new ATOM 0 HA TYR A 67 -18.848 12.505 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.849 10.584 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -17.999 11.595 1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.678 14.094 1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.741 11.472 2.771 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.007 15.888 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.068 13.265 2.639 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.643 15.359 2.083 1.00 0.00 H new ATOM 1068 N MET A 68 -20.403 10.603 3.760 1.00 0.00 N ATOM 1069 CA MET A 68 -21.382 9.523 3.842 1.00 0.00 C ATOM 1070 C MET A 68 -21.987 9.233 2.467 1.00 0.00 C ATOM 1071 O MET A 68 -22.726 10.055 1.925 1.00 0.00 O ATOM 1072 CB MET A 68 -22.488 9.885 4.840 1.00 0.00 C ATOM 1073 CG MET A 68 -23.451 8.743 5.132 1.00 0.00 C ATOM 1074 SD MET A 68 -24.698 8.524 3.846 1.00 0.00 S ATOM 1075 CE MET A 68 -25.610 10.059 3.990 1.00 0.00 C ATOM 0 H MET A 68 -20.754 11.513 4.059 1.00 0.00 H new ATOM 0 HA MET A 68 -20.872 8.624 4.189 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.029 10.209 5.774 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.052 10.733 4.451 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.885 7.818 5.243 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.948 8.929 6.084 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.635 9.907 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.616 10.382 5.031 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.135 10.824 3.376 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.680 8.057 1.879 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.199 7.671 0.570 1.00 0.00 C ATOM 1087 C PRO A 69 -23.531 6.936 0.668 1.00 0.00 C ATOM 1088 O PRO A 69 -23.783 6.219 1.637 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.112 6.735 0.056 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.594 6.054 1.280 1.00 0.00 C ATOM 1091 CD PRO A 69 -20.796 7.012 2.433 1.00 0.00 C ATOM 0 HA PRO A 69 -22.400 8.528 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.513 6.016 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.323 7.286 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.126 5.119 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.539 5.804 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.253 6.515 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.849 7.430 2.775 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.383 7.115 -0.338 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.683 6.455 -0.356 1.00 0.00 C ATOM 1101 C ASN A 70 -25.630 5.172 -1.181 1.00 0.00 C ATOM 1102 O ASN A 70 -24.565 4.774 -1.653 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.761 7.392 -0.904 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.360 8.040 -2.211 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.603 7.497 -3.287 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -25.744 9.211 -2.122 1.00 0.00 N ATOM 0 H ASN A 70 -24.197 7.708 -1.147 1.00 0.00 H new ATOM 0 HA ASN A 70 -25.940 6.195 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -27.685 6.832 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -26.971 8.168 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.451 9.699 -2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -25.563 9.624 -1.207 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.781 4.533 -1.352 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.863 3.287 -2.110 1.00 0.00 C ATOM 1115 C GLU A 71 -26.420 3.481 -3.560 1.00 0.00 C ATOM 1116 O GLU A 71 -25.978 2.536 -4.214 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.293 2.744 -2.076 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.318 3.703 -2.662 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.718 3.123 -2.679 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.442 3.293 -1.675 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.092 2.503 -3.695 1.00 0.00 O ATOM 0 H GLU A 71 -27.672 4.856 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.188 2.570 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.330 1.804 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.564 2.520 -1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.319 4.626 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.025 3.965 -3.679 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.536 4.709 -4.054 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.159 5.017 -5.432 1.00 0.00 C ATOM 1130 C VAL A 72 -24.674 5.356 -5.549 1.00 0.00 C ATOM 1131 O VAL A 72 -24.098 5.288 -6.635 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.985 6.195 -5.984 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.783 6.339 -7.485 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.460 6.018 -5.651 1.00 0.00 C ATOM 0 H VAL A 72 -26.887 5.507 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.365 4.122 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.636 7.111 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.375 7.177 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.729 6.520 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.100 5.423 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.026 6.860 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.825 5.092 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.586 5.975 -4.569 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.058 5.717 -4.428 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.643 6.079 -4.418 1.00 0.00 C ATOM 1146 C GLU A 73 -21.743 4.851 -4.289 1.00 0.00 C ATOM 1147 O GLU A 73 -20.811 4.673 -5.072 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.355 7.055 -3.277 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.021 8.410 -3.456 1.00 0.00 C ATOM 1150 CD GLU A 73 -22.545 9.132 -4.701 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -21.524 9.848 -4.618 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.191 8.980 -5.759 1.00 0.00 O ATOM 0 H GLU A 73 -24.514 5.767 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.421 6.557 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.692 6.614 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.277 7.197 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.101 8.276 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.819 9.029 -2.582 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.025 4.009 -3.301 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.227 2.808 -3.067 1.00 0.00 C ATOM 1161 C LEU A 74 -21.148 1.920 -4.311 1.00 0.00 C ATOM 1162 O LEU A 74 -20.323 1.009 -4.377 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.784 2.017 -1.878 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.304 1.830 -1.859 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.730 0.751 -2.844 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.776 1.484 -0.455 1.00 0.00 C ATOM 0 H LEU A 74 -22.799 4.135 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.213 3.132 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.315 1.033 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.487 2.521 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.768 2.769 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.814 0.637 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.425 1.036 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.257 -0.194 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.858 1.354 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.300 0.559 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.509 2.290 0.228 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.006 2.185 -5.292 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.022 1.399 -6.523 1.00 0.00 C ATOM 1180 C GLU A 75 -21.039 1.947 -7.556 1.00 0.00 C ATOM 1181 O GLU A 75 -20.495 1.193 -8.364 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.430 1.371 -7.120 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.443 0.633 -6.262 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.817 0.573 -6.902 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.584 1.548 -6.752 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.125 -0.447 -7.552 1.00 0.00 O ATOM 0 H GLU A 75 -22.697 2.935 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.715 0.385 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.772 2.395 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.389 0.901 -8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.088 -0.381 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.519 1.125 -5.292 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.812 3.259 -7.532 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.902 3.889 -8.485 1.00 0.00 C ATOM 1195 C VAL A 76 -18.467 3.937 -7.965 1.00 0.00 C ATOM 1196 O VAL A 76 -17.517 3.996 -8.745 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.361 5.317 -8.844 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.762 5.294 -9.434 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.306 6.228 -7.625 1.00 0.00 C ATOM 0 H VAL A 76 -21.243 3.902 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.924 3.269 -9.381 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.678 5.715 -9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.069 6.310 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.767 4.684 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.456 4.872 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.634 7.229 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.961 5.835 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.283 6.273 -7.250 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.315 3.916 -6.647 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.996 3.964 -6.027 1.00 0.00 C ATOM 1211 C ILE A 77 -16.324 2.590 -6.019 1.00 0.00 C ATOM 1212 O ILE A 77 -15.099 2.488 -5.948 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.091 4.501 -4.585 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.726 5.892 -4.589 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.718 4.542 -3.929 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.685 6.122 -3.444 1.00 0.00 C ATOM 0 H ILE A 77 -19.090 3.866 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.385 4.640 -6.625 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.720 3.826 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.937 6.643 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.256 6.038 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.812 4.924 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.298 3.537 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.060 5.194 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.097 7.129 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.495 5.394 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.156 6.009 -2.498 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.131 1.537 -6.103 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.611 0.171 -6.089 1.00 0.00 C ATOM 1230 C ILE A 78 -16.297 -0.338 -7.497 1.00 0.00 C ATOM 1231 O ILE A 78 -15.539 -1.294 -7.661 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.606 -0.791 -5.396 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.693 -0.471 -3.900 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.206 -2.247 -5.611 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.409 -0.738 -3.140 1.00 0.00 C ATOM 0 H ILE A 78 -18.146 1.601 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.680 0.194 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.589 -0.647 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.965 0.577 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.495 -1.062 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.924 -2.899 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.196 -2.468 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.213 -2.417 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.550 -0.487 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.146 -1.792 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.607 -0.127 -3.554 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.850 0.312 -8.515 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.617 -0.113 -9.892 1.00 0.00 C ATOM 1249 C GLN A 79 -15.284 0.423 -10.408 1.00 0.00 C ATOM 1250 O GLN A 79 -14.781 -0.024 -11.440 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.758 0.350 -10.801 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.821 1.855 -10.988 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.884 2.276 -11.983 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.915 1.619 -12.125 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.636 3.377 -12.683 1.00 0.00 N ATOM 0 H GLN A 79 -17.456 1.126 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.580 -1.202 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.648 -0.124 -11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.704 0.005 -10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.021 2.329 -10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.850 2.216 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.768 3.892 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.313 3.708 -13.370 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.718 1.383 -9.682 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.443 1.981 -10.064 1.00 0.00 C ATOM 1266 C ARG A 80 -12.276 1.111 -9.609 1.00 0.00 C ATOM 1267 O ARG A 80 -11.389 0.780 -10.397 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.308 3.382 -9.462 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.467 4.307 -9.794 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.558 4.583 -11.288 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.704 5.426 -11.616 1.00 0.00 N ATOM 1272 CZ ARG A 80 -16.003 5.820 -12.850 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.241 5.451 -13.872 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -17.065 6.585 -13.063 1.00 0.00 N ATOM 0 H ARG A 80 -15.122 1.763 -8.826 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.420 2.055 -11.151 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.224 3.295 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.382 3.833 -9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.399 3.860 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.347 5.248 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.642 5.069 -11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.635 3.639 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.310 5.730 -10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.423 4.863 -13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.473 5.755 -14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.653 6.871 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.294 6.887 -14.010 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.284 0.747 -8.330 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.225 -0.080 -7.763 1.00 0.00 C ATOM 1290 C LEU A 81 -11.321 -1.517 -8.267 1.00 0.00 C ATOM 1291 O LEU A 81 -10.308 -2.145 -8.579 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.300 -0.059 -6.233 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.666 1.293 -5.614 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.658 1.204 -4.095 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.714 2.381 -6.090 1.00 0.00 C ATOM 0 H LEU A 81 -13.012 1.012 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.268 0.332 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.034 -0.798 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.336 -0.373 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.673 1.555 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.920 2.174 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.384 0.458 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.664 0.916 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.993 3.332 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.695 2.126 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.771 2.465 -7.175 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.544 -2.031 -8.343 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.781 -3.396 -8.804 1.00 0.00 C ATOM 1309 C ASP A 82 -12.486 -3.533 -10.297 1.00 0.00 C ATOM 1310 O ASP A 82 -13.394 -3.470 -11.128 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.226 -3.802 -8.510 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.540 -5.214 -8.961 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.670 -6.095 -8.800 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.659 -5.439 -9.467 1.00 0.00 O ATOM 0 H ASP A 82 -13.390 -1.521 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.105 -4.061 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.412 -3.717 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.903 -3.107 -9.007 1.00 0.00 H new ATOM 1319 N MET A 83 -11.210 -3.721 -10.631 1.00 0.00 N ATOM 1320 CA MET A 83 -10.791 -3.868 -12.023 1.00 0.00 C ATOM 1321 C MET A 83 -11.099 -5.266 -12.554 1.00 0.00 C ATOM 1322 O MET A 83 -11.613 -5.417 -13.663 1.00 0.00 O ATOM 1323 CB MET A 83 -9.293 -3.585 -12.164 1.00 0.00 C ATOM 1324 CG MET A 83 -8.898 -2.170 -11.777 1.00 0.00 C ATOM 1325 SD MET A 83 -7.137 -1.853 -12.007 1.00 0.00 S ATOM 1326 CE MET A 83 -6.969 -2.118 -13.772 1.00 0.00 C ATOM 0 H MET A 83 -10.448 -3.775 -9.955 1.00 0.00 H new ATOM 0 HA MET A 83 -11.354 -3.144 -12.612 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.739 -4.290 -11.543 1.00 0.00 H new ATOM 0 HB3 MET A 83 -8.994 -3.766 -13.196 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.472 -1.461 -12.373 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.161 -1.996 -10.734 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.070 -1.616 -14.131 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.894 -3.186 -13.974 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.841 -1.712 -14.285 1.00 0.00 H new ATOM 1336 N ASP A 84 -10.781 -6.284 -11.760 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.018 -7.668 -12.161 1.00 0.00 C ATOM 1338 C ASP A 84 -12.511 -7.980 -12.230 1.00 0.00 C ATOM 1339 O ASP A 84 -12.911 -9.038 -12.718 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.321 -8.631 -11.195 1.00 0.00 C ATOM 1341 CG ASP A 84 -10.694 -8.377 -9.746 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.501 -7.459 -9.492 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -10.175 -9.096 -8.867 1.00 0.00 O ATOM 0 H ASP A 84 -10.360 -6.178 -10.837 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.600 -7.801 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.581 -9.656 -11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.241 -8.537 -11.310 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.327 -7.053 -11.740 1.00 0.00 N ATOM 1349 CA GLY A 85 -14.767 -7.236 -11.769 1.00 0.00 C ATOM 1350 C GLY A 85 -15.244 -8.376 -10.888 1.00 0.00 C ATOM 1351 O GLY A 85 -16.241 -9.027 -11.199 1.00 0.00 O ATOM 0 H GLY A 85 -13.016 -6.176 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.250 -6.313 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.082 -7.423 -12.796 1.00 0.00 H new ATOM 1355 N ASP A 86 -14.539 -8.618 -9.785 1.00 0.00 N ATOM 1356 CA ASP A 86 -14.915 -9.689 -8.868 1.00 0.00 C ATOM 1357 C ASP A 86 -16.096 -9.265 -8.002 1.00 0.00 C ATOM 1358 O ASP A 86 -16.718 -10.091 -7.335 1.00 0.00 O ATOM 1359 CB ASP A 86 -13.730 -10.079 -7.979 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.407 -9.025 -6.939 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.675 -8.069 -7.269 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.883 -9.158 -5.792 1.00 0.00 O ATOM 0 H ASP A 86 -13.711 -8.091 -9.507 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.208 -10.555 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.951 -11.022 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.853 -10.248 -8.603 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.399 -7.969 -8.020 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.503 -7.449 -7.234 1.00 0.00 C ATOM 1369 C GLY A 87 -17.030 -6.705 -6.001 1.00 0.00 C ATOM 1370 O GLY A 87 -17.685 -5.769 -5.542 1.00 0.00 O ATOM 0 H GLY A 87 -15.898 -7.269 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.103 -6.780 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.151 -8.272 -6.933 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.888 -7.124 -5.468 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.316 -6.496 -4.283 1.00 0.00 C ATOM 1376 C GLN A 88 -13.946 -5.898 -4.592 1.00 0.00 C ATOM 1377 O GLN A 88 -13.419 -6.067 -5.691 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.205 -7.517 -3.151 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.541 -8.118 -2.747 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.410 -9.149 -1.643 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.482 -8.693 -0.397 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.243 -10.339 -1.906 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.338 -7.899 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.977 -5.688 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.533 -8.318 -3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.753 -7.038 -2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.208 -7.321 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.004 -8.581 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.194 -10.644 -2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.154 -11.020 -1.152 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.376 -5.198 -3.616 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.070 -4.570 -3.786 1.00 0.00 C ATOM 1393 C VAL A 89 -10.968 -5.387 -3.120 1.00 0.00 C ATOM 1394 O VAL A 89 -11.027 -5.668 -1.922 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.059 -3.142 -3.206 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.698 -2.491 -3.405 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.156 -2.301 -3.840 1.00 0.00 C ATOM 0 H VAL A 89 -13.798 -5.051 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.879 -4.524 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.251 -3.205 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.712 -1.484 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.934 -3.082 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.471 -2.440 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.133 -1.296 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.996 -2.247 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.126 -2.757 -3.640 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.964 -5.764 -3.906 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.844 -6.545 -3.393 1.00 0.00 C ATOM 1409 C ASP A 90 -7.745 -5.635 -2.854 1.00 0.00 C ATOM 1410 O ASP A 90 -7.554 -4.517 -3.333 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.284 -7.451 -4.490 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.255 -8.544 -4.886 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -10.203 -8.250 -5.646 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.073 -9.694 -4.434 1.00 0.00 O ATOM 0 H ASP A 90 -9.903 -5.541 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.209 -7.163 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.041 -6.849 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.354 -7.902 -4.145 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.028 -6.130 -1.850 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.943 -5.383 -1.220 1.00 0.00 C ATOM 1421 C PHE A 91 -4.887 -4.942 -2.234 1.00 0.00 C ATOM 1422 O PHE A 91 -4.280 -3.884 -2.080 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.297 -6.239 -0.127 1.00 0.00 C ATOM 1424 CG PHE A 91 -4.123 -5.589 0.549 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.242 -4.336 1.128 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.899 -6.236 0.604 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -3.162 -3.741 1.752 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.816 -5.646 1.227 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.948 -4.398 1.801 1.00 0.00 C ATOM 0 H PHE A 91 -7.181 -7.056 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.369 -4.481 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.049 -6.477 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.973 -7.184 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.189 -3.819 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.790 -7.212 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.267 -2.764 2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.867 -6.161 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.103 -3.935 2.288 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.672 -5.752 -3.267 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.679 -5.434 -4.292 1.00 0.00 C ATOM 1441 C GLU A 92 -4.144 -4.280 -5.178 1.00 0.00 C ATOM 1442 O GLU A 92 -3.413 -3.313 -5.389 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.389 -6.665 -5.152 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.826 -7.837 -4.364 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.531 -9.040 -5.238 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.406 -9.123 -5.773 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.425 -9.897 -5.388 1.00 0.00 O ATOM 0 H GLU A 92 -5.169 -6.630 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.765 -5.127 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.309 -6.978 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.683 -6.392 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.911 -7.525 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.536 -8.122 -3.587 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.353 -4.393 -5.710 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.905 -3.350 -6.567 1.00 0.00 C ATOM 1456 C GLU A 93 -5.973 -2.014 -5.831 1.00 0.00 C ATOM 1457 O GLU A 93 -6.030 -0.953 -6.454 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.300 -3.752 -7.047 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.319 -5.055 -7.828 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.725 -5.541 -8.117 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.296 -5.130 -9.148 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.256 -6.333 -7.311 1.00 0.00 O ATOM 0 H GLU A 93 -5.969 -5.193 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.246 -3.233 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.960 -3.845 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.704 -2.956 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.785 -4.918 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.783 -5.819 -7.265 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.949 -2.071 -4.503 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.022 -0.866 -3.684 1.00 0.00 C ATOM 1471 C PHE A 94 -4.634 -0.289 -3.408 1.00 0.00 C ATOM 1472 O PHE A 94 -4.419 0.914 -3.556 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.737 -1.171 -2.364 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.984 0.042 -1.510 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.577 1.176 -2.043 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.628 0.044 -0.170 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.809 2.289 -1.256 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.857 1.154 0.620 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.448 2.278 0.076 1.00 0.00 C ATOM 0 H PHE A 94 -5.880 -2.939 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.589 -0.119 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.691 -1.650 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.142 -1.887 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.861 1.190 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.166 -0.832 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.272 3.166 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.574 1.143 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.627 3.147 0.692 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.695 -1.147 -3.013 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.336 -0.706 -2.706 1.00 0.00 C ATOM 1491 C VAL A 95 -1.692 0.026 -3.881 1.00 0.00 C ATOM 1492 O VAL A 95 -0.883 0.932 -3.685 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.424 -1.879 -2.296 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.767 -2.355 -0.898 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -1.523 -3.017 -3.291 1.00 0.00 C ATOM 0 H VAL A 95 -3.850 -2.149 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.434 -0.019 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.393 -1.524 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.113 -3.183 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.630 -1.537 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.805 -2.688 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.870 -3.832 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.552 -3.373 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.218 -2.666 -4.277 1.00 0.00 H new ATOM 1505 N THR A 96 -2.050 -0.369 -5.099 1.00 0.00 N ATOM 1506 CA THR A 96 -1.489 0.250 -6.295 1.00 0.00 C ATOM 1507 C THR A 96 -2.136 1.601 -6.588 1.00 0.00 C ATOM 1508 O THR A 96 -1.444 2.578 -6.877 1.00 0.00 O ATOM 1509 CB THR A 96 -1.655 -0.661 -7.525 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.053 -1.938 -7.275 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.020 -0.033 -8.757 1.00 0.00 C ATOM 0 H THR A 96 -2.724 -1.112 -5.284 1.00 0.00 H new ATOM 0 HA THR A 96 -0.428 0.402 -6.097 1.00 0.00 H new ATOM 0 HB THR A 96 -2.722 -0.789 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.655 -2.481 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.151 -0.696 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.497 0.925 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.044 0.123 -8.578 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.462 1.653 -6.520 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.192 2.889 -6.790 1.00 0.00 C ATOM 1521 C LEU A 97 -3.801 3.999 -5.817 1.00 0.00 C ATOM 1522 O LEU A 97 -4.044 5.176 -6.080 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.700 2.641 -6.725 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.261 1.757 -7.842 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.734 1.464 -7.603 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.065 2.420 -9.197 1.00 0.00 C ATOM 0 H LEU A 97 -4.053 0.857 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.925 3.216 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.936 2.181 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.212 3.603 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.716 0.813 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.115 0.835 -8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.852 0.947 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.292 2.400 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.470 1.777 -9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.583 3.379 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.001 2.580 -9.373 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.195 3.622 -4.694 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.775 4.599 -3.693 1.00 0.00 C ATOM 1540 C LEU A 98 -1.256 4.729 -3.651 1.00 0.00 C ATOM 1541 O LEU A 98 -0.721 5.673 -3.067 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.310 4.210 -2.311 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.846 2.849 -1.784 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.511 2.973 -1.065 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.895 2.254 -0.858 1.00 0.00 C ATOM 0 H LEU A 98 -2.985 2.653 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.190 5.567 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.013 4.977 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.399 4.214 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.713 2.181 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.202 1.994 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.760 3.356 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.613 3.658 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.551 1.287 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.058 2.925 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.830 2.123 -1.403 1.00 0.00 H new