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+ -163:sc= -1.23 (180deg=-1.38) USER MOD Single : A 50 ASN : amide:sc= -0.0982 K(o=-0.098,f=-5.9!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.168 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0716 K(o=-0.072,f=-0.67) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -159:sc= -0.138 (180deg=-0.762) USER MOD Single : A 64 SER OG : rot -26:sc= 0.907 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 140:sc= -0.172 (180deg=-0.753) USER MOD Single : A 70 ASN : amide:sc= -2.97 K(o=-3,f=-14!) USER MOD Single : A 79 GLN :FLIP amide:sc= -1.02 F(o=-1.8!,f=-1) USER MOD Single : A 83 MET CE :methyl 163:sc= -0.149 (180deg=-0.591) USER MOD Single : A 88 GLN : amide:sc= -1.25 K(o=-1.3,f=-1.8) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 3.368 0.432 5.821 1.00 0.00 N ATOM 545 CA LEU A 35 2.444 -0.308 4.971 1.00 0.00 C ATOM 546 C LEU A 35 1.269 -0.852 5.777 1.00 0.00 C ATOM 547 O LEU A 35 0.133 -0.866 5.301 1.00 0.00 O ATOM 548 CB LEU A 35 3.161 -1.460 4.267 1.00 0.00 C ATOM 549 CG LEU A 35 2.383 -2.078 3.104 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.672 -1.329 1.814 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.719 -3.555 2.958 1.00 0.00 C ATOM 0 HA LEU A 35 2.061 0.385 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.120 -1.100 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.375 -2.239 4.999 1.00 0.00 H new ATOM 0 HG LEU A 35 1.318 -1.993 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.111 -1.782 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.375 -0.286 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.738 -1.381 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.155 -3.976 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.786 -3.668 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.456 -4.080 3.876 1.00 0.00 H new ATOM 563 N GLU A 36 1.547 -1.306 6.998 1.00 0.00 N ATOM 564 CA GLU A 36 0.506 -1.851 7.863 1.00 0.00 C ATOM 565 C GLU A 36 -0.598 -0.825 8.092 1.00 0.00 C ATOM 566 O GLU A 36 -1.752 -1.182 8.329 1.00 0.00 O ATOM 567 CB GLU A 36 1.096 -2.290 9.205 1.00 0.00 C ATOM 568 CG GLU A 36 1.769 -1.164 9.970 1.00 0.00 C ATOM 569 CD GLU A 36 2.275 -1.601 11.331 1.00 0.00 C ATOM 570 OE1 GLU A 36 3.413 -2.111 11.404 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.535 -1.430 12.322 1.00 0.00 O ATOM 0 H GLU A 36 2.481 -1.307 7.408 1.00 0.00 H new ATOM 0 HA GLU A 36 0.077 -2.721 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.302 -2.713 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.822 -3.084 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.603 -0.780 9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.063 -0.343 10.096 1.00 0.00 H new ATOM 578 N GLU A 37 -0.233 0.451 8.021 1.00 0.00 N ATOM 579 CA GLU A 37 -1.193 1.531 8.215 1.00 0.00 C ATOM 580 C GLU A 37 -2.254 1.507 7.121 1.00 0.00 C ATOM 581 O GLU A 37 -3.414 1.846 7.357 1.00 0.00 O ATOM 582 CB GLU A 37 -0.478 2.882 8.224 1.00 0.00 C ATOM 583 CG GLU A 37 0.559 3.015 9.327 1.00 0.00 C ATOM 584 CD GLU A 37 -0.042 2.878 10.712 1.00 0.00 C ATOM 585 OE1 GLU A 37 -0.688 3.840 11.178 1.00 0.00 O ATOM 586 OE2 GLU A 37 0.131 1.807 11.332 1.00 0.00 O ATOM 0 H GLU A 37 0.720 0.762 7.831 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.683 1.386 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.008 3.033 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.218 3.674 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.328 2.254 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.051 3.984 9.243 1.00 0.00 H new ATOM 593 N ILE A 38 -1.846 1.102 5.922 1.00 0.00 N ATOM 594 CA ILE A 38 -2.757 1.023 4.786 1.00 0.00 C ATOM 595 C ILE A 38 -3.871 0.020 5.062 1.00 0.00 C ATOM 596 O ILE A 38 -5.056 0.315 4.873 1.00 0.00 O ATOM 597 CB ILE A 38 -2.013 0.605 3.500 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.721 1.414 3.349 1.00 0.00 C ATOM 599 CG2 ILE A 38 -2.912 0.792 2.287 1.00 0.00 C ATOM 600 CD1 ILE A 38 0.088 1.050 2.122 1.00 0.00 C ATOM 0 H ILE A 38 -0.888 0.823 5.712 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.184 2.016 4.642 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.750 -0.450 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.970 2.474 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.105 1.266 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.375 0.494 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.805 0.177 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.201 1.840 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.987 1.665 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.369 -0.002 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.509 1.225 1.227 1.00 0.00 H new ATOM 612 N ARG A 39 -3.477 -1.165 5.516 1.00 0.00 N ATOM 613 CA ARG A 39 -4.426 -2.223 5.827 1.00 0.00 C ATOM 614 C ARG A 39 -5.350 -1.809 6.962 1.00 0.00 C ATOM 615 O ARG A 39 -6.555 -1.704 6.776 1.00 0.00 O ATOM 616 CB ARG A 39 -3.680 -3.502 6.208 1.00 0.00 C ATOM 617 CG ARG A 39 -2.781 -4.022 5.102 1.00 0.00 C ATOM 618 CD ARG A 39 -1.580 -4.762 5.662 1.00 0.00 C ATOM 619 NE ARG A 39 -1.961 -6.013 6.313 1.00 0.00 N ATOM 620 CZ ARG A 39 -1.259 -6.583 7.288 1.00 0.00 C ATOM 621 NH1 ARG A 39 -0.148 -6.010 7.732 1.00 0.00 N ATOM 622 NH2 ARG A 39 -1.671 -7.723 7.823 1.00 0.00 N ATOM 0 H ARG A 39 -2.501 -1.416 5.677 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.031 -2.408 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.079 -3.313 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.404 -4.273 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.349 -4.688 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.442 -3.189 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.876 -4.972 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.063 -4.124 6.378 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.815 -6.476 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.170 -5.130 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.389 -6.449 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.527 -8.164 7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.132 -8.160 8.571 1.00 0.00 H new ATOM 636 N GLU A 40 -4.774 -1.554 8.132 1.00 0.00 N ATOM 637 CA GLU A 40 -5.550 -1.162 9.306 1.00 0.00 C ATOM 638 C GLU A 40 -6.692 -0.211 8.944 1.00 0.00 C ATOM 639 O GLU A 40 -7.732 -0.211 9.592 1.00 0.00 O ATOM 640 CB GLU A 40 -4.638 -0.505 10.344 1.00 0.00 C ATOM 641 CG GLU A 40 -3.594 -1.450 10.918 1.00 0.00 C ATOM 642 CD GLU A 40 -2.646 -0.760 11.879 1.00 0.00 C ATOM 643 OE1 GLU A 40 -3.012 -0.603 13.063 1.00 0.00 O ATOM 644 OE2 GLU A 40 -1.540 -0.374 11.447 1.00 0.00 O ATOM 0 H GLU A 40 -3.769 -1.612 8.294 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.990 -2.067 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.134 0.346 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.249 -0.114 11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.095 -2.269 11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.021 -1.891 10.102 1.00 0.00 H new ATOM 651 N ALA A 41 -6.504 0.582 7.898 1.00 0.00 N ATOM 652 CA ALA A 41 -7.524 1.534 7.474 1.00 0.00 C ATOM 653 C ALA A 41 -8.743 0.847 6.848 1.00 0.00 C ATOM 654 O ALA A 41 -9.757 0.623 7.516 1.00 0.00 O ATOM 655 CB ALA A 41 -6.927 2.540 6.502 1.00 0.00 C ATOM 0 H ALA A 41 -5.658 0.586 7.328 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.874 2.053 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.697 3.247 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.115 3.079 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.541 2.016 5.628 1.00 0.00 H new ATOM 661 N PHE A 42 -8.638 0.494 5.570 1.00 0.00 N ATOM 662 CA PHE A 42 -9.756 -0.121 4.856 1.00 0.00 C ATOM 663 C PHE A 42 -9.979 -1.578 5.254 1.00 0.00 C ATOM 664 O PHE A 42 -11.098 -2.084 5.170 1.00 0.00 O ATOM 665 CB PHE A 42 -9.532 -0.014 3.347 1.00 0.00 C ATOM 666 CG PHE A 42 -9.952 1.311 2.774 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.325 2.483 3.167 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.979 1.385 1.847 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.714 3.703 2.646 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.372 2.601 1.321 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.740 3.762 1.723 1.00 0.00 C ATOM 0 H PHE A 42 -7.796 0.622 5.009 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.657 0.425 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.476 -0.176 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.085 -0.809 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.523 2.443 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.479 0.481 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.216 4.609 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.172 2.644 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.048 4.714 1.316 1.00 0.00 H new ATOM 681 N LYS A 43 -8.922 -2.247 5.690 1.00 0.00 N ATOM 682 CA LYS A 43 -9.020 -3.649 6.087 1.00 0.00 C ATOM 683 C LYS A 43 -9.929 -3.832 7.303 1.00 0.00 C ATOM 684 O LYS A 43 -10.694 -4.794 7.359 1.00 0.00 O ATOM 685 CB LYS A 43 -7.633 -4.236 6.368 1.00 0.00 C ATOM 686 CG LYS A 43 -7.471 -5.677 5.906 1.00 0.00 C ATOM 687 CD LYS A 43 -7.689 -5.820 4.404 1.00 0.00 C ATOM 688 CE LYS A 43 -6.715 -4.967 3.603 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.976 -5.058 2.140 1.00 0.00 N ATOM 0 H LYS A 43 -7.988 -1.846 5.779 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.466 -4.189 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.881 -3.620 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.437 -4.183 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.473 -6.031 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.181 -6.311 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.574 -6.866 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.711 -5.532 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.794 -3.928 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.694 -5.288 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.146 -4.713 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.162 -6.048 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.803 -4.476 1.898 1.00 0.00 H new ATOM 703 N VAL A 44 -9.854 -2.923 8.279 1.00 0.00 N ATOM 704 CA VAL A 44 -10.701 -3.046 9.464 1.00 0.00 C ATOM 705 C VAL A 44 -12.165 -2.804 9.116 1.00 0.00 C ATOM 706 O VAL A 44 -13.054 -3.408 9.717 1.00 0.00 O ATOM 707 CB VAL A 44 -10.288 -2.096 10.604 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.860 -2.378 11.042 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.462 -0.642 10.191 1.00 0.00 C ATOM 0 H VAL A 44 -9.232 -2.115 8.273 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.567 -4.068 9.819 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.944 -2.277 11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.586 -1.697 11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.784 -3.407 11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.185 -2.232 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.164 0.008 11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.840 -0.434 9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.507 -0.457 9.943 1.00 0.00 H new ATOM 719 N PHE A 45 -12.419 -1.920 8.149 1.00 0.00 N ATOM 720 CA PHE A 45 -13.795 -1.642 7.742 1.00 0.00 C ATOM 721 C PHE A 45 -14.470 -2.923 7.259 1.00 0.00 C ATOM 722 O PHE A 45 -15.697 -3.001 7.183 1.00 0.00 O ATOM 723 CB PHE A 45 -13.850 -0.564 6.654 1.00 0.00 C ATOM 724 CG PHE A 45 -13.549 0.822 7.163 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.299 1.377 8.189 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.519 1.568 6.615 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.025 2.648 8.658 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.240 2.840 7.080 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.995 3.380 8.102 1.00 0.00 C ATOM 0 H PHE A 45 -11.706 -1.395 7.643 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.333 -1.263 8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.138 -0.816 5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.841 -0.568 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.107 0.809 8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.926 1.151 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.616 3.068 9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.433 3.410 6.644 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.780 4.374 8.466 1.00 0.00 H new ATOM 739 N ASP A 46 -13.656 -3.925 6.932 1.00 0.00 N ATOM 740 CA ASP A 46 -14.167 -5.213 6.478 1.00 0.00 C ATOM 741 C ASP A 46 -14.662 -6.025 7.671 1.00 0.00 C ATOM 742 O ASP A 46 -13.887 -6.721 8.326 1.00 0.00 O ATOM 743 CB ASP A 46 -13.074 -5.983 5.730 1.00 0.00 C ATOM 744 CG ASP A 46 -13.522 -7.367 5.297 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.743 -7.630 5.312 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.651 -8.187 4.941 1.00 0.00 O ATOM 0 H ASP A 46 -12.638 -3.868 6.974 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.000 -5.042 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.770 -5.413 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.197 -6.074 6.370 1.00 0.00 H new ATOM 751 N ARG A 47 -15.958 -5.924 7.946 1.00 0.00 N ATOM 752 CA ARG A 47 -16.568 -6.629 9.068 1.00 0.00 C ATOM 753 C ARG A 47 -16.314 -8.131 8.992 1.00 0.00 C ATOM 754 O ARG A 47 -16.131 -8.789 10.016 1.00 0.00 O ATOM 755 CB ARG A 47 -18.071 -6.356 9.107 1.00 0.00 C ATOM 756 CG ARG A 47 -18.422 -4.881 9.009 1.00 0.00 C ATOM 757 CD ARG A 47 -19.900 -4.648 9.270 1.00 0.00 C ATOM 758 NE ARG A 47 -20.742 -5.424 8.365 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.067 -5.319 8.313 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.700 -4.472 9.114 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.759 -6.061 7.459 1.00 0.00 N ATOM 0 H ARG A 47 -16.610 -5.357 7.404 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.108 -6.257 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.551 -6.891 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.481 -6.758 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.830 -4.315 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.162 -4.508 8.018 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.133 -4.915 10.301 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.126 -3.588 9.156 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.288 -6.086 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.171 -3.899 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.716 -4.393 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.275 -6.713 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.775 -5.980 7.420 1.00 0.00 H new ATOM 775 N ASP A 48 -16.306 -8.671 7.778 1.00 0.00 N ATOM 776 CA ASP A 48 -16.077 -10.098 7.584 1.00 0.00 C ATOM 777 C ASP A 48 -14.596 -10.435 7.708 1.00 0.00 C ATOM 778 O ASP A 48 -14.228 -11.586 7.946 1.00 0.00 O ATOM 779 CB ASP A 48 -16.597 -10.537 6.216 1.00 0.00 C ATOM 780 CG ASP A 48 -18.041 -10.135 5.989 1.00 0.00 C ATOM 781 OD1 ASP A 48 -18.941 -10.898 6.397 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.272 -9.056 5.403 1.00 0.00 O ATOM 0 H ASP A 48 -16.455 -8.145 6.917 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.619 -10.635 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.974 -10.099 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.506 -11.619 6.126 1.00 0.00 H new ATOM 787 N GLY A 49 -13.751 -9.420 7.547 1.00 0.00 N ATOM 788 CA GLY A 49 -12.316 -9.618 7.648 1.00 0.00 C ATOM 789 C GLY A 49 -11.803 -10.684 6.701 1.00 0.00 C ATOM 790 O GLY A 49 -10.709 -11.215 6.892 1.00 0.00 O ATOM 0 H GLY A 49 -14.036 -8.461 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.808 -8.677 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.063 -9.895 8.671 1.00 0.00 H new ATOM 794 N ASN A 50 -12.590 -10.994 5.675 1.00 0.00 N ATOM 795 CA ASN A 50 -12.208 -12.006 4.697 1.00 0.00 C ATOM 796 C ASN A 50 -11.098 -11.497 3.782 1.00 0.00 C ATOM 797 O ASN A 50 -10.614 -12.224 2.914 1.00 0.00 O ATOM 798 CB ASN A 50 -13.425 -12.429 3.870 1.00 0.00 C ATOM 799 CG ASN A 50 -14.280 -11.249 3.444 1.00 0.00 C ATOM 800 OD1 ASN A 50 -13.785 -10.136 3.274 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.573 -11.491 3.272 1.00 0.00 N ATOM 0 H ASN A 50 -13.496 -10.559 5.500 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.828 -12.873 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.088 -12.968 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.033 -13.122 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.199 -10.738 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.941 -12.430 3.424 1.00 0.00 H new ATOM 808 N GLY A 51 -10.699 -10.244 3.984 1.00 0.00 N ATOM 809 CA GLY A 51 -9.644 -9.662 3.175 1.00 0.00 C ATOM 810 C GLY A 51 -10.180 -8.845 2.016 1.00 0.00 C ATOM 811 O GLY A 51 -9.418 -8.194 1.302 1.00 0.00 O ATOM 0 H GLY A 51 -11.088 -9.622 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.018 -9.028 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.006 -10.458 2.789 1.00 0.00 H new ATOM 815 N PHE A 52 -11.496 -8.881 1.830 1.00 0.00 N ATOM 816 CA PHE A 52 -12.135 -8.140 0.749 1.00 0.00 C ATOM 817 C PHE A 52 -13.244 -7.247 1.296 1.00 0.00 C ATOM 818 O PHE A 52 -13.942 -7.617 2.241 1.00 0.00 O ATOM 819 CB PHE A 52 -12.704 -9.106 -0.294 1.00 0.00 C ATOM 820 CG PHE A 52 -11.850 -10.323 -0.511 1.00 0.00 C ATOM 821 CD1 PHE A 52 -10.699 -10.253 -1.280 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.195 -11.536 0.064 1.00 0.00 C ATOM 823 CE1 PHE A 52 -9.912 -11.371 -1.478 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.410 -12.657 -0.129 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.266 -12.575 -0.899 1.00 0.00 C ATOM 0 H PHE A 52 -12.140 -9.415 2.414 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.384 -7.510 0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.699 -9.421 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.820 -8.579 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.414 -9.313 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.087 -11.606 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.021 -11.304 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.691 -13.597 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.650 -13.449 -1.048 1.00 0.00 H new ATOM 835 N ILE A 53 -13.402 -6.072 0.697 1.00 0.00 N ATOM 836 CA ILE A 53 -14.422 -5.125 1.131 1.00 0.00 C ATOM 837 C ILE A 53 -15.564 -5.042 0.123 1.00 0.00 C ATOM 838 O ILE A 53 -15.345 -4.765 -1.057 1.00 0.00 O ATOM 839 CB ILE A 53 -13.826 -3.717 1.333 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.669 -3.764 2.334 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.900 -2.747 1.805 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.723 -2.591 2.214 1.00 0.00 C ATOM 0 H ILE A 53 -12.837 -5.753 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.810 -5.490 2.082 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.440 -3.365 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.074 -3.792 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.110 -4.688 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.462 -1.758 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.694 -2.692 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.314 -3.095 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.927 -2.688 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.290 -2.574 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.269 -1.664 2.389 1.00 0.00 H new ATOM 854 N SER A 54 -16.783 -5.286 0.596 1.00 0.00 N ATOM 855 CA SER A 54 -17.964 -5.231 -0.258 1.00 0.00 C ATOM 856 C SER A 54 -18.487 -3.802 -0.348 1.00 0.00 C ATOM 857 O SER A 54 -17.924 -2.895 0.264 1.00 0.00 O ATOM 858 CB SER A 54 -19.055 -6.160 0.279 1.00 0.00 C ATOM 859 OG SER A 54 -20.181 -6.177 -0.582 1.00 0.00 O ATOM 0 H SER A 54 -16.978 -5.524 1.568 1.00 0.00 H new ATOM 0 HA SER A 54 -17.684 -5.564 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.658 -7.170 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.359 -5.833 1.273 1.00 0.00 H new ATOM 0 HG SER A 54 -20.863 -6.779 -0.217 1.00 0.00 H new ATOM 865 N LYS A 55 -19.557 -3.598 -1.110 1.00 0.00 N ATOM 866 CA LYS A 55 -20.137 -2.267 -1.265 1.00 0.00 C ATOM 867 C LYS A 55 -20.677 -1.739 0.061 1.00 0.00 C ATOM 868 O LYS A 55 -20.368 -0.618 0.466 1.00 0.00 O ATOM 869 CB LYS A 55 -21.263 -2.288 -2.304 1.00 0.00 C ATOM 870 CG LYS A 55 -20.789 -2.536 -3.730 1.00 0.00 C ATOM 871 CD LYS A 55 -20.648 -4.020 -4.033 1.00 0.00 C ATOM 872 CE LYS A 55 -22.003 -4.708 -4.118 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.875 -6.150 -4.467 1.00 0.00 N ATOM 0 H LYS A 55 -20.039 -4.333 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.343 -1.602 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.980 -3.062 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.793 -1.336 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.495 -2.088 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.830 -2.042 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.114 -4.150 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.047 -4.494 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.520 -4.610 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.618 -4.207 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.820 -6.581 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.405 -6.243 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.310 -6.634 -3.740 1.00 0.00 H new ATOM 887 N GLN A 56 -21.484 -2.555 0.733 1.00 0.00 N ATOM 888 CA GLN A 56 -22.084 -2.168 2.008 1.00 0.00 C ATOM 889 C GLN A 56 -21.021 -1.814 3.046 1.00 0.00 C ATOM 890 O GLN A 56 -21.206 -0.895 3.842 1.00 0.00 O ATOM 891 CB GLN A 56 -22.974 -3.293 2.537 1.00 0.00 C ATOM 892 CG GLN A 56 -24.086 -3.690 1.579 1.00 0.00 C ATOM 893 CD GLN A 56 -25.037 -2.545 1.280 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.256 -1.670 2.117 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.607 -2.548 0.081 1.00 0.00 N ATOM 0 H GLN A 56 -21.738 -3.490 0.416 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.690 -1.279 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.356 -4.166 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.415 -2.981 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.647 -4.046 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.647 -4.522 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.396 -3.294 -0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.256 -1.804 -0.177 1.00 0.00 H new ATOM 904 N GLU A 57 -19.911 -2.545 3.032 1.00 0.00 N ATOM 905 CA GLU A 57 -18.827 -2.305 3.980 1.00 0.00 C ATOM 906 C GLU A 57 -18.055 -1.040 3.616 1.00 0.00 C ATOM 907 O GLU A 57 -17.756 -0.209 4.476 1.00 0.00 O ATOM 908 CB GLU A 57 -17.883 -3.507 4.010 1.00 0.00 C ATOM 909 CG GLU A 57 -18.568 -4.803 4.414 1.00 0.00 C ATOM 910 CD GLU A 57 -17.669 -6.013 4.258 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.601 -6.562 3.138 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.036 -6.415 5.256 1.00 0.00 O ATOM 0 H GLU A 57 -19.738 -3.307 2.376 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.261 -2.166 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.436 -3.633 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.069 -3.303 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.894 -4.729 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.463 -4.940 3.808 1.00 0.00 H new ATOM 919 N LEU A 58 -17.729 -0.906 2.335 1.00 0.00 N ATOM 920 CA LEU A 58 -17.002 0.258 1.849 1.00 0.00 C ATOM 921 C LEU A 58 -17.801 1.528 2.130 1.00 0.00 C ATOM 922 O LEU A 58 -17.236 2.610 2.282 1.00 0.00 O ATOM 923 CB LEU A 58 -16.730 0.105 0.343 1.00 0.00 C ATOM 924 CG LEU A 58 -15.652 1.023 -0.260 1.00 0.00 C ATOM 925 CD1 LEU A 58 -16.191 2.428 -0.480 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.409 1.058 0.616 1.00 0.00 C ATOM 0 H LEU A 58 -17.958 -1.591 1.615 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.047 0.334 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.442 -0.929 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.664 0.280 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.372 0.610 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.408 3.055 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.039 2.390 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.513 2.848 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.665 1.714 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.672 1.433 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.999 0.052 0.706 1.00 0.00 H new ATOM 938 N GLY A 59 -19.121 1.377 2.222 1.00 0.00 N ATOM 939 CA GLY A 59 -19.979 2.515 2.493 1.00 0.00 C ATOM 940 C GLY A 59 -19.715 3.103 3.865 1.00 0.00 C ATOM 941 O GLY A 59 -20.082 4.244 4.143 1.00 0.00 O ATOM 0 H GLY A 59 -19.609 0.488 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.820 3.280 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.023 2.208 2.423 1.00 0.00 H new ATOM 945 N THR A 60 -19.076 2.311 4.721 1.00 0.00 N ATOM 946 CA THR A 60 -18.743 2.745 6.071 1.00 0.00 C ATOM 947 C THR A 60 -17.365 3.397 6.085 1.00 0.00 C ATOM 948 O THR A 60 -17.038 4.175 6.980 1.00 0.00 O ATOM 949 CB THR A 60 -18.757 1.565 7.063 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.012 0.879 6.988 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.525 2.048 8.487 1.00 0.00 C ATOM 0 H THR A 60 -18.778 1.361 4.501 1.00 0.00 H new ATOM 0 HA THR A 60 -19.499 3.466 6.382 1.00 0.00 H new ATOM 0 HB THR A 60 -17.951 0.884 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.013 0.130 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.540 1.196 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.557 2.546 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.312 2.749 8.766 1.00 0.00 H new ATOM 959 N ALA A 61 -16.560 3.061 5.083 1.00 0.00 N ATOM 960 CA ALA A 61 -15.219 3.618 4.961 1.00 0.00 C ATOM 961 C ALA A 61 -15.270 5.060 4.467 1.00 0.00 C ATOM 962 O ALA A 61 -14.595 5.936 5.009 1.00 0.00 O ATOM 963 CB ALA A 61 -14.379 2.768 4.020 1.00 0.00 C ATOM 0 H ALA A 61 -16.813 2.406 4.344 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.757 3.613 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.380 3.195 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.309 1.753 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.846 2.746 3.035 1.00 0.00 H new ATOM 969 N MET A 62 -16.072 5.299 3.433 1.00 0.00 N ATOM 970 CA MET A 62 -16.212 6.633 2.858 1.00 0.00 C ATOM 971 C MET A 62 -16.833 7.611 3.851 1.00 0.00 C ATOM 972 O MET A 62 -16.397 8.756 3.955 1.00 0.00 O ATOM 973 CB MET A 62 -17.061 6.578 1.588 1.00 0.00 C ATOM 974 CG MET A 62 -16.421 5.784 0.461 1.00 0.00 C ATOM 975 SD MET A 62 -14.894 6.533 -0.139 1.00 0.00 S ATOM 976 CE MET A 62 -15.503 8.105 -0.745 1.00 0.00 C ATOM 0 H MET A 62 -16.636 4.583 2.975 1.00 0.00 H new ATOM 0 HA MET A 62 -15.212 6.990 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.029 6.138 1.827 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.250 7.595 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.212 4.772 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.128 5.699 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.794 8.518 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.467 7.958 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.619 8.796 0.090 1.00 0.00 H new ATOM 986 N ARG A 63 -17.856 7.160 4.575 1.00 0.00 N ATOM 987 CA ARG A 63 -18.525 8.013 5.551 1.00 0.00 C ATOM 988 C ARG A 63 -17.538 8.493 6.610 1.00 0.00 C ATOM 989 O ARG A 63 -17.753 9.520 7.255 1.00 0.00 O ATOM 990 CB ARG A 63 -19.691 7.274 6.214 1.00 0.00 C ATOM 991 CG ARG A 63 -19.260 6.171 7.165 1.00 0.00 C ATOM 992 CD ARG A 63 -20.446 5.576 7.907 1.00 0.00 C ATOM 993 NE ARG A 63 -21.243 6.602 8.575 1.00 0.00 N ATOM 994 CZ ARG A 63 -21.766 6.458 9.789 1.00 0.00 C ATOM 995 NH1 ARG A 63 -21.566 5.341 10.476 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.488 7.435 10.322 1.00 0.00 N ATOM 0 H ARG A 63 -18.236 6.216 4.504 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.922 8.880 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.301 7.994 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.324 6.844 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.749 5.387 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.543 6.569 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.075 5.028 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.089 4.857 8.644 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.408 7.479 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.009 4.587 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.969 5.236 11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.642 8.298 9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.889 7.323 11.253 1.00 0.00 H new ATOM 1010 N SER A 64 -16.454 7.741 6.780 1.00 0.00 N ATOM 1011 CA SER A 64 -15.424 8.089 7.752 1.00 0.00 C ATOM 1012 C SER A 64 -14.569 9.244 7.241 1.00 0.00 C ATOM 1013 O SER A 64 -13.533 9.569 7.823 1.00 0.00 O ATOM 1014 CB SER A 64 -14.536 6.877 8.044 1.00 0.00 C ATOM 1015 OG SER A 64 -13.560 7.185 9.023 1.00 0.00 O ATOM 0 H SER A 64 -16.267 6.886 6.256 1.00 0.00 H new ATOM 0 HA SER A 64 -15.918 8.399 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.151 6.046 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.046 6.552 7.126 1.00 0.00 H new ATOM 0 HG SER A 64 -13.371 8.146 9.005 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.014 9.862 6.152 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.296 10.980 5.556 1.00 0.00 C ATOM 1023 C LEU A 65 -15.174 12.224 5.534 1.00 0.00 C ATOM 1024 O LEU A 65 -14.681 13.346 5.436 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.857 10.633 4.131 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.194 9.263 3.963 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.843 9.020 2.504 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.953 9.151 4.837 1.00 0.00 C ATOM 0 H LEU A 65 -15.872 9.605 5.664 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.412 11.180 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.729 10.678 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.162 11.399 3.786 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.903 8.499 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.373 8.042 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.751 9.051 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.154 9.792 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.499 8.169 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.238 9.924 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.232 9.280 5.883 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.484 12.008 5.628 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.425 13.112 5.617 1.00 0.00 C ATOM 1042 C GLY A 66 -18.371 13.043 4.433 1.00 0.00 C ATOM 1043 O GLY A 66 -18.992 14.040 4.066 1.00 0.00 O ATOM 0 H GLY A 66 -16.910 11.085 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.001 13.106 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.878 14.054 5.589 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.476 11.857 3.837 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.352 11.647 2.689 1.00 0.00 C ATOM 1049 C TYR A 67 -20.182 10.379 2.873 1.00 0.00 C ATOM 1050 O TYR A 67 -19.637 9.277 2.931 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.528 11.542 1.402 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.454 12.600 1.278 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.776 13.908 0.940 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.119 12.288 1.501 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.796 14.876 0.827 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.133 13.251 1.389 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.477 14.543 1.053 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.499 15.505 0.941 1.00 0.00 O ATOM 0 H TYR A 67 -17.964 11.026 4.132 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.025 12.501 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.062 10.558 1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.198 11.615 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.808 14.173 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.847 11.277 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.062 15.889 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.099 12.992 1.564 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.625 15.106 1.133 1.00 0.00 H new ATOM 1068 N MET A 68 -21.498 10.540 2.968 1.00 0.00 N ATOM 1069 CA MET A 68 -22.396 9.404 3.151 1.00 0.00 C ATOM 1070 C MET A 68 -23.056 8.997 1.832 1.00 0.00 C ATOM 1071 O MET A 68 -24.017 9.630 1.396 1.00 0.00 O ATOM 1072 CB MET A 68 -23.475 9.743 4.184 1.00 0.00 C ATOM 1073 CG MET A 68 -22.945 9.876 5.603 1.00 0.00 C ATOM 1074 SD MET A 68 -21.842 11.288 5.811 1.00 0.00 S ATOM 1075 CE MET A 68 -22.950 12.646 5.440 1.00 0.00 C ATOM 0 H MET A 68 -21.966 11.445 2.921 1.00 0.00 H new ATOM 0 HA MET A 68 -21.800 8.564 3.509 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.959 10.677 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.241 8.968 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.785 9.973 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.414 8.964 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.758 13.470 6.127 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.785 12.981 4.416 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.982 12.314 5.552 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.549 7.933 1.175 1.00 0.00 N ATOM 1086 CA PRO A 69 -23.107 7.453 -0.091 1.00 0.00 C ATOM 1087 C PRO A 69 -24.377 6.631 0.113 1.00 0.00 C ATOM 1088 O PRO A 69 -24.547 5.979 1.143 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.988 6.576 -0.650 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.285 6.051 0.553 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.390 7.121 1.607 1.00 0.00 C ATOM 0 HA PRO A 69 -23.400 8.271 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.387 5.766 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.313 7.151 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.742 5.122 0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.242 5.829 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.549 6.693 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.481 7.720 1.661 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.265 6.665 -0.878 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.520 5.925 -0.805 1.00 0.00 C ATOM 1101 C ASN A 70 -26.431 4.606 -1.569 1.00 0.00 C ATOM 1102 O ASN A 70 -25.352 4.195 -1.993 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.671 6.776 -1.345 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.391 7.318 -2.728 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.856 6.618 -3.584 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -27.740 8.578 -2.949 1.00 0.00 N ATOM 0 H ASN A 70 -25.138 7.197 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.713 5.693 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.581 6.176 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.856 7.606 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.566 9.003 -3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -28.182 9.122 -2.208 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.577 3.955 -1.743 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.647 2.670 -2.435 1.00 0.00 C ATOM 1115 C GLU A 71 -27.031 2.721 -3.835 1.00 0.00 C ATOM 1116 O GLU A 71 -26.287 1.820 -4.220 1.00 0.00 O ATOM 1117 CB GLU A 71 -29.103 2.206 -2.527 1.00 0.00 C ATOM 1118 CG GLU A 71 -30.031 3.224 -3.170 1.00 0.00 C ATOM 1119 CD GLU A 71 -31.445 2.702 -3.337 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.721 2.060 -4.372 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -32.274 2.935 -2.434 1.00 0.00 O ATOM 0 H GLU A 71 -28.478 4.299 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 71 -27.063 1.959 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -29.144 1.279 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.466 1.979 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -30.051 4.127 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.634 3.506 -4.145 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.337 3.770 -4.594 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.818 3.896 -5.956 1.00 0.00 C ATOM 1130 C VAL A 72 -25.408 4.487 -5.985 1.00 0.00 C ATOM 1131 O VAL A 72 -24.687 4.339 -6.972 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.752 4.753 -6.840 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.720 6.213 -6.414 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.383 4.611 -8.309 1.00 0.00 C ATOM 0 H VAL A 72 -27.936 4.539 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.774 2.884 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.770 4.387 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.386 6.793 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.047 6.297 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.704 6.597 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.053 5.223 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -26.355 4.941 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.476 3.567 -8.608 1.00 0.00 H new ATOM 1144 N GLU A 73 -25.016 5.149 -4.902 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.694 5.765 -4.823 1.00 0.00 C ATOM 1146 C GLU A 73 -22.590 4.721 -4.656 1.00 0.00 C ATOM 1147 O GLU A 73 -21.660 4.659 -5.460 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.639 6.764 -3.666 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.267 8.111 -3.990 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.528 8.849 -5.090 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.881 8.658 -6.273 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.599 9.618 -4.768 1.00 0.00 O ATOM 0 H GLU A 73 -25.591 5.273 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.524 6.288 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -24.147 6.335 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.599 6.918 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.304 7.961 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.282 8.727 -3.091 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.697 3.901 -3.614 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.693 2.874 -3.339 1.00 0.00 C ATOM 1161 C LEU A 74 -21.476 1.946 -4.534 1.00 0.00 C ATOM 1162 O LEU A 74 -20.499 1.199 -4.575 1.00 0.00 O ATOM 1163 CB LEU A 74 -22.081 2.059 -2.100 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.540 1.596 -2.036 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.788 0.447 -3.001 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.901 1.189 -0.614 1.00 0.00 C ATOM 0 H LEU A 74 -23.467 3.927 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.752 3.389 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.438 1.180 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.870 2.658 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.178 2.428 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.831 0.136 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.568 0.772 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.143 -0.392 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.940 0.862 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.254 0.373 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.768 2.041 0.053 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.385 1.991 -5.503 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.278 1.143 -6.685 1.00 0.00 C ATOM 1180 C GLU A 75 -21.321 1.736 -7.717 1.00 0.00 C ATOM 1181 O GLU A 75 -20.588 1.005 -8.384 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.653 0.930 -7.318 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.621 0.167 -6.429 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.960 -0.072 -7.098 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.059 -1.018 -7.906 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.909 0.690 -6.818 1.00 0.00 O ATOM 0 H GLU A 75 -23.201 2.603 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.877 0.182 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.085 1.900 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.532 0.389 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.179 -0.791 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.775 0.723 -5.504 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.327 3.060 -7.848 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.459 3.731 -8.812 1.00 0.00 C ATOM 1195 C VAL A 76 -19.056 3.946 -8.255 1.00 0.00 C ATOM 1196 O VAL A 76 -18.091 4.061 -9.010 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.045 5.086 -9.257 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.412 4.893 -9.893 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.126 6.053 -8.086 1.00 0.00 C ATOM 0 H VAL A 76 -21.919 3.686 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.395 3.072 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.378 5.517 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.810 5.860 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.320 4.245 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.088 4.436 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.542 7.001 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.766 5.632 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.128 6.219 -7.682 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.950 4.004 -6.933 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.663 4.207 -6.274 1.00 0.00 C ATOM 1211 C ILE A 77 -16.874 2.903 -6.177 1.00 0.00 C ATOM 1212 O ILE A 77 -15.643 2.911 -6.155 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.857 4.785 -4.860 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.651 6.088 -4.932 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.515 5.013 -4.180 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.664 6.235 -3.820 1.00 0.00 C ATOM 0 H ILE A 77 -19.740 3.913 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.100 4.915 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.418 4.064 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.959 6.929 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.166 6.139 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.677 5.422 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.981 4.066 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.924 5.715 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.192 7.182 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -20.379 5.413 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.153 6.216 -2.857 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.592 1.786 -6.126 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.964 0.474 -6.015 1.00 0.00 C ATOM 1230 C ILE A 78 -16.535 -0.071 -7.378 1.00 0.00 C ATOM 1231 O ILE A 78 -15.598 -0.866 -7.464 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.912 -0.532 -5.318 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.864 -0.336 -3.799 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.563 -1.971 -5.682 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.510 -0.636 -3.186 1.00 0.00 C ATOM 0 H ILE A 78 -18.611 1.763 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 78 -16.068 0.600 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.926 -0.339 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.138 0.693 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.613 -0.978 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.248 -2.651 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.650 -2.105 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.541 -2.187 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.554 -0.475 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.241 -1.673 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.759 0.024 -3.621 1.00 0.00 H new ATOM 1247 N GLN A 79 -17.201 0.367 -8.442 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.871 -0.107 -9.782 1.00 0.00 C ATOM 1249 C GLN A 79 -15.594 0.553 -10.293 1.00 0.00 C ATOM 1250 O GLN A 79 -15.056 0.164 -11.330 1.00 0.00 O ATOM 1251 CB GLN A 79 -18.029 0.155 -10.748 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.445 1.613 -10.829 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.519 1.854 -11.872 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.777 1.719 -11.469 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -19.221 2.154 -13.029 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.965 1.042 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.702 -1.182 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.744 -0.187 -11.743 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.888 -0.441 -10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.810 1.938 -9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.573 2.224 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.241 2.247 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.954 2.309 -13.721 1.00 0.00 H new ATOM 1264 N ARG A 80 -15.116 1.556 -9.562 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.898 2.264 -9.939 1.00 0.00 C ATOM 1266 C ARG A 80 -12.662 1.428 -9.616 1.00 0.00 C ATOM 1267 O ARG A 80 -11.786 1.245 -10.462 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.814 3.609 -9.212 1.00 0.00 C ATOM 1269 CG ARG A 80 -15.004 4.524 -9.462 1.00 0.00 C ATOM 1270 CD ARG A 80 -15.003 5.082 -10.877 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.388 4.078 -11.865 1.00 0.00 N ATOM 1272 CZ ARG A 80 -15.482 4.322 -13.168 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.212 5.532 -13.642 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.846 3.356 -13.999 1.00 0.00 N ATOM 0 H ARG A 80 -15.554 1.896 -8.706 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.931 2.440 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.728 3.426 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.903 4.122 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.928 3.973 -9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.986 5.347 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.689 5.927 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.010 5.462 -11.115 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.597 3.135 -11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.931 6.278 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.285 5.716 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.054 2.425 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.918 3.544 -14.999 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.599 0.926 -8.386 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.470 0.113 -7.944 1.00 0.00 C ATOM 1290 C LEU A 81 -11.620 -1.335 -8.401 1.00 0.00 C ATOM 1291 O LEU A 81 -10.648 -1.964 -8.820 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.340 0.160 -6.419 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.879 1.501 -5.840 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.984 2.542 -5.942 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.437 1.329 -4.395 1.00 0.00 C ATOM 0 H LEU A 81 -13.318 1.068 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.568 0.527 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.306 -0.093 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.637 -0.612 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.028 1.853 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.634 3.486 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.253 2.685 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.857 2.201 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.112 2.290 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.271 0.954 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.611 0.619 -4.349 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.839 -1.859 -8.314 1.00 0.00 N ATOM 1308 CA ASP A 82 -13.117 -3.236 -8.712 1.00 0.00 C ATOM 1309 C ASP A 82 -12.939 -3.419 -10.220 1.00 0.00 C ATOM 1310 O ASP A 82 -13.910 -3.401 -10.977 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.537 -3.624 -8.295 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.856 -5.076 -8.588 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.961 -5.929 -8.412 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -16.005 -5.361 -8.986 1.00 0.00 O ATOM 0 H ASP A 82 -13.653 -1.349 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.405 -3.889 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.662 -3.437 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.251 -2.987 -8.816 1.00 0.00 H new ATOM 1319 N MET A 83 -11.690 -3.598 -10.646 1.00 0.00 N ATOM 1320 CA MET A 83 -11.376 -3.778 -12.062 1.00 0.00 C ATOM 1321 C MET A 83 -11.707 -5.190 -12.539 1.00 0.00 C ATOM 1322 O MET A 83 -12.243 -5.372 -13.632 1.00 0.00 O ATOM 1323 CB MET A 83 -9.899 -3.473 -12.323 1.00 0.00 C ATOM 1324 CG MET A 83 -8.947 -4.226 -11.408 1.00 0.00 C ATOM 1325 SD MET A 83 -7.214 -3.953 -11.830 1.00 0.00 S ATOM 1326 CE MET A 83 -7.090 -2.178 -11.626 1.00 0.00 C ATOM 0 H MET A 83 -10.878 -3.622 -10.030 1.00 0.00 H new ATOM 0 HA MET A 83 -11.994 -3.079 -12.625 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.664 -3.719 -13.359 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.732 -2.402 -12.204 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.119 -3.916 -10.377 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.166 -5.292 -11.461 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.041 -1.893 -11.552 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.542 -1.681 -12.484 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.612 -1.879 -10.717 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.386 -6.186 -11.719 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.650 -7.577 -12.074 1.00 0.00 C ATOM 1338 C ASP A 84 -13.150 -7.862 -12.092 1.00 0.00 C ATOM 1339 O ASP A 84 -13.606 -8.803 -12.741 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.940 -8.518 -11.100 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.206 -8.160 -9.654 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -12.332 -8.412 -9.182 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -10.290 -7.625 -8.995 1.00 0.00 O ATOM 0 H ASP A 84 -10.945 -6.057 -10.808 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.261 -7.751 -13.077 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.267 -9.541 -11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.867 -8.488 -11.287 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.910 -7.040 -11.372 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.353 -7.201 -11.328 1.00 0.00 C ATOM 1350 C GLY A 85 -15.809 -8.361 -10.462 1.00 0.00 C ATOM 1351 O GLY A 85 -16.771 -9.048 -10.800 1.00 0.00 O ATOM 0 H GLY A 85 -13.550 -6.263 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.802 -6.281 -10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.725 -7.347 -12.342 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.130 -8.579 -9.338 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.493 -9.671 -8.439 1.00 0.00 C ATOM 1357 C ASP A 86 -16.563 -9.229 -7.443 1.00 0.00 C ATOM 1358 O ASP A 86 -17.264 -10.060 -6.866 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.263 -10.185 -7.687 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.852 -9.271 -6.550 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.192 -8.247 -6.820 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.189 -9.581 -5.388 1.00 0.00 O ATOM 0 H ASP A 86 -14.334 -8.020 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.898 -10.479 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.472 -11.179 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.432 -10.288 -8.385 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.684 -7.917 -7.246 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.675 -7.393 -6.322 1.00 0.00 C ATOM 1369 C GLY A 87 -17.054 -6.753 -5.093 1.00 0.00 C ATOM 1370 O GLY A 87 -17.690 -5.940 -4.422 1.00 0.00 O ATOM 0 H GLY A 87 -16.114 -7.209 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.292 -6.656 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.337 -8.201 -6.010 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.811 -7.120 -4.798 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.107 -6.575 -3.641 1.00 0.00 C ATOM 1376 C GLN A 88 -13.753 -5.999 -4.042 1.00 0.00 C ATOM 1377 O GLN A 88 -13.175 -6.390 -5.055 1.00 0.00 O ATOM 1378 CB GLN A 88 -14.916 -7.663 -2.582 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.217 -8.289 -2.109 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.003 -9.337 -1.034 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.014 -9.031 0.158 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -15.805 -10.582 -1.451 1.00 0.00 N ATOM 0 H GLN A 88 -15.270 -7.792 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.712 -5.769 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.274 -8.444 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.396 -7.236 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.873 -7.508 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.727 -8.744 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.804 -10.791 -2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -15.654 -11.329 -0.773 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.254 -5.061 -3.242 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.964 -4.434 -3.510 1.00 0.00 C ATOM 1393 C VAL A 89 -10.836 -5.219 -2.850 1.00 0.00 C ATOM 1394 O VAL A 89 -10.838 -5.425 -1.636 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.931 -2.978 -3.006 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.584 -2.336 -3.307 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.063 -2.173 -3.626 1.00 0.00 C ATOM 0 H VAL A 89 -13.723 -4.719 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.823 -4.434 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.069 -2.985 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.581 -1.308 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.794 -2.899 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.411 -2.340 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.024 -1.148 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.958 -2.174 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.019 -2.620 -3.353 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.872 -5.654 -3.655 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.741 -6.422 -3.148 1.00 0.00 C ATOM 1409 C ASP A 90 -7.605 -5.506 -2.707 1.00 0.00 C ATOM 1410 O ASP A 90 -7.432 -4.412 -3.247 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.242 -7.402 -4.209 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.275 -8.457 -4.553 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -10.126 -8.194 -5.428 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.232 -9.548 -3.946 1.00 0.00 O ATOM 0 H ASP A 90 -9.852 -5.488 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.083 -6.984 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.975 -6.852 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.334 -7.889 -3.852 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.838 -5.960 -1.720 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.716 -5.189 -1.192 1.00 0.00 C ATOM 1421 C PHE A 91 -4.845 -4.615 -2.309 1.00 0.00 C ATOM 1422 O PHE A 91 -4.587 -3.413 -2.345 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.868 -6.069 -0.271 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.616 -5.399 0.222 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.675 -4.438 1.220 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.381 -5.730 -0.312 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.525 -3.821 1.672 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.228 -5.116 0.138 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.301 -4.159 1.132 1.00 0.00 C ATOM 0 H PHE A 91 -6.974 -6.864 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.125 -4.351 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.471 -6.369 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.596 -6.980 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.630 -4.169 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.319 -6.477 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.584 -3.073 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.272 -5.384 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.402 -3.676 1.486 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.401 -5.482 -3.216 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.546 -5.067 -4.329 1.00 0.00 C ATOM 1441 C GLU A 92 -4.117 -3.858 -5.066 1.00 0.00 C ATOM 1442 O GLU A 92 -3.439 -2.844 -5.231 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.355 -6.229 -5.307 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.751 -7.469 -4.667 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.524 -8.589 -5.664 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.446 -9.409 -5.855 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.423 -8.646 -6.252 1.00 0.00 O ATOM 0 H GLU A 92 -4.619 -6.478 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.582 -4.777 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.320 -6.488 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.713 -5.903 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.802 -7.206 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.410 -7.822 -3.874 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.359 -3.972 -5.517 1.00 0.00 N ATOM 1455 CA GLU A 93 -6.015 -2.888 -6.245 1.00 0.00 C ATOM 1456 C GLU A 93 -5.932 -1.560 -5.490 1.00 0.00 C ATOM 1457 O GLU A 93 -5.783 -0.499 -6.101 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.479 -3.247 -6.505 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.656 -4.511 -7.329 1.00 0.00 C ATOM 1460 CD GLU A 93 -9.106 -4.946 -7.429 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.802 -4.482 -8.355 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.543 -5.751 -6.581 1.00 0.00 O ATOM 0 H GLU A 93 -5.935 -4.804 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.491 -2.763 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.990 -3.371 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.963 -2.417 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.261 -4.345 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.070 -5.315 -6.884 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.020 -1.619 -4.164 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.976 -0.414 -3.340 1.00 0.00 C ATOM 1471 C PHE A 94 -4.545 -0.036 -2.953 1.00 0.00 C ATOM 1472 O PHE A 94 -4.284 1.103 -2.565 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.826 -0.604 -2.080 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.911 0.624 -1.217 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.587 1.752 -1.657 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.316 0.651 0.035 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.666 2.883 -0.866 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.392 1.779 0.831 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.069 2.896 0.380 1.00 0.00 C ATOM 0 H PHE A 94 -6.122 -2.487 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.384 0.403 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.833 -0.902 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.410 -1.422 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.057 1.747 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.787 -0.220 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.194 3.756 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.923 1.787 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.131 3.778 1.000 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.619 -0.985 -3.060 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.229 -0.722 -2.703 1.00 0.00 C ATOM 1491 C VAL A 95 -1.526 0.086 -3.790 1.00 0.00 C ATOM 1492 O VAL A 95 -0.568 0.809 -3.516 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.444 -2.029 -2.439 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.821 -2.575 -3.718 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.377 -1.801 -1.380 1.00 0.00 C ATOM 0 H VAL A 95 -3.803 -1.933 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.247 -0.141 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.150 -2.774 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.278 -3.493 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.606 -2.785 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.133 -1.837 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.167 -2.730 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.317 -1.033 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.849 -1.477 -0.452 1.00 0.00 H new ATOM 1505 N THR A 96 -2.006 -0.045 -5.024 1.00 0.00 N ATOM 1506 CA THR A 96 -1.425 0.676 -6.150 1.00 0.00 C ATOM 1507 C THR A 96 -1.992 2.089 -6.250 1.00 0.00 C ATOM 1508 O THR A 96 -1.255 3.045 -6.492 1.00 0.00 O ATOM 1509 CB THR A 96 -1.677 -0.064 -7.477 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.228 -1.420 -7.375 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.958 0.624 -8.628 1.00 0.00 C ATOM 0 H THR A 96 -2.795 -0.643 -5.268 1.00 0.00 H new ATOM 0 HA THR A 96 -0.351 0.732 -5.972 1.00 0.00 H new ATOM 0 HB THR A 96 -2.749 -0.048 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.393 -1.884 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.152 0.082 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.321 1.647 -8.724 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.114 0.636 -8.432 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.304 2.214 -6.064 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.963 3.515 -6.137 1.00 0.00 C ATOM 1521 C LEU A 97 -3.559 4.401 -4.963 1.00 0.00 C ATOM 1522 O LEU A 97 -3.787 5.610 -4.978 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.484 3.344 -6.159 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.045 2.653 -7.404 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.542 2.435 -7.265 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.741 3.470 -8.651 1.00 0.00 C ATOM 0 H LEU A 97 -3.929 1.434 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.645 3.999 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.782 2.772 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.945 4.328 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.563 1.680 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.923 1.943 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.739 1.809 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.040 3.397 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.147 2.963 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.195 4.457 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.662 3.577 -8.762 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.954 3.792 -3.948 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.519 4.526 -2.764 1.00 0.00 C ATOM 1540 C LEU A 98 -0.997 4.587 -2.693 1.00 0.00 C ATOM 1541 O LEU A 98 -0.429 5.530 -2.141 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.082 3.870 -1.501 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.674 4.531 -0.181 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -3.827 4.487 0.809 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.447 3.847 0.404 1.00 0.00 C ATOM 0 H LEU A 98 -2.754 2.792 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.899 5.545 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.170 3.869 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.763 2.828 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.424 5.573 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.523 4.960 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.683 5.019 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.103 3.450 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.173 4.331 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.670 2.796 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.618 3.923 -0.300 1.00 0.00 H new