USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=13 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= -1.09 K(o=-0.5,f=-5!) USER MOD Set 1.2: A 54 SER OG : rot 16:sc= 0.501 USER MOD Set 1.3: A 88 GLN :FLIP amide:sc= 0.0912 F(o=-6!,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc=-0.00759 (180deg=-0.0714) USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= -0.397 (180deg=-1.36) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0825 F(o=-2.7!,f=-0.083) USER MOD Single : A 60 THR OG1 : rot 140:sc= 0.0416 USER MOD Single : A 62 MET CE :methyl -162:sc= -0.0982 (180deg=-0.612) 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 -161:sc= -0.136 (180deg=-0.714) USER MOD Single : A 70 ASN :FLIP amide:sc= -2.74 F(o=-8.7!,f=-2.7) USER MOD Single : A 79 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.63) USER MOD Single : A 83 MET CE :methyl 139:sc= -0.458 (180deg=-1.69) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.996 0.858 5.063 1.00 0.00 N ATOM 545 CA LEU A 35 2.116 -0.140 4.474 1.00 0.00 C ATOM 546 C LEU A 35 1.079 -0.627 5.483 1.00 0.00 C ATOM 547 O LEU A 35 -0.055 -0.936 5.118 1.00 0.00 O ATOM 548 CB LEU A 35 2.929 -1.321 3.936 1.00 0.00 C ATOM 549 CG LEU A 35 2.116 -2.378 3.182 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.931 -2.962 2.039 1.00 0.00 C ATOM 551 CD2 LEU A 35 1.665 -3.481 4.127 1.00 0.00 C ATOM 0 HA LEU A 35 1.586 0.329 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.702 -0.937 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.437 -1.803 4.771 1.00 0.00 H new ATOM 0 HG LEU A 35 1.231 -1.896 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.338 -3.711 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.207 -2.167 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.833 -3.427 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.089 -4.222 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.538 -3.958 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.044 -3.054 4.915 1.00 0.00 H new ATOM 563 N GLU A 36 1.473 -0.694 6.752 1.00 0.00 N ATOM 564 CA GLU A 36 0.573 -1.145 7.808 1.00 0.00 C ATOM 565 C GLU A 36 -0.628 -0.212 7.927 1.00 0.00 C ATOM 566 O GLU A 36 -1.698 -0.615 8.387 1.00 0.00 O ATOM 567 CB GLU A 36 1.314 -1.222 9.146 1.00 0.00 C ATOM 568 CG GLU A 36 0.477 -1.807 10.274 1.00 0.00 C ATOM 569 CD GLU A 36 1.239 -1.888 11.583 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.885 -2.927 11.831 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.188 -0.911 12.360 1.00 0.00 O ATOM 0 H GLU A 36 2.408 -0.442 7.073 1.00 0.00 H new ATOM 0 HA GLU A 36 0.214 -2.141 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.212 -1.827 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.641 -0.221 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.415 -1.196 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.140 -2.804 9.992 1.00 0.00 H new ATOM 578 N GLU A 37 -0.444 1.036 7.507 1.00 0.00 N ATOM 579 CA GLU A 37 -1.513 2.028 7.560 1.00 0.00 C ATOM 580 C GLU A 37 -2.547 1.769 6.469 1.00 0.00 C ATOM 581 O GLU A 37 -3.718 2.119 6.614 1.00 0.00 O ATOM 582 CB GLU A 37 -0.938 3.438 7.412 1.00 0.00 C ATOM 583 CG GLU A 37 0.071 3.800 8.489 1.00 0.00 C ATOM 584 CD GLU A 37 0.564 5.229 8.370 1.00 0.00 C ATOM 585 OE1 GLU A 37 1.565 5.454 7.656 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.051 6.123 8.989 1.00 0.00 O ATOM 0 H GLU A 37 0.436 1.385 7.126 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.005 1.946 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.462 3.526 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.755 4.159 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.383 3.657 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.921 3.120 8.429 1.00 0.00 H new ATOM 593 N ILE A 38 -2.104 1.153 5.376 1.00 0.00 N ATOM 594 CA ILE A 38 -2.987 0.841 4.259 1.00 0.00 C ATOM 595 C ILE A 38 -4.034 -0.189 4.669 1.00 0.00 C ATOM 596 O ILE A 38 -5.237 0.016 4.481 1.00 0.00 O ATOM 597 CB ILE A 38 -2.198 0.293 3.051 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.988 1.185 2.761 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.101 0.195 1.830 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.114 0.677 1.634 1.00 0.00 C ATOM 0 H ILE A 38 -1.136 0.860 5.241 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.477 1.771 3.971 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.838 -0.708 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.338 2.188 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.386 1.271 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.531 -0.193 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.932 -0.476 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.487 1.184 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.723 1.360 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.266 -0.313 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.700 0.618 0.717 1.00 0.00 H new ATOM 612 N ARG A 39 -3.564 -1.295 5.234 1.00 0.00 N ATOM 613 CA ARG A 39 -4.442 -2.370 5.673 1.00 0.00 C ATOM 614 C ARG A 39 -5.356 -1.912 6.802 1.00 0.00 C ATOM 615 O ARG A 39 -6.559 -1.789 6.617 1.00 0.00 O ATOM 616 CB ARG A 39 -3.615 -3.571 6.130 1.00 0.00 C ATOM 617 CG ARG A 39 -2.794 -4.195 5.016 1.00 0.00 C ATOM 618 CD ARG A 39 -1.392 -4.544 5.485 1.00 0.00 C ATOM 619 NE ARG A 39 -1.404 -5.510 6.580 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.360 -6.263 6.913 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.771 -6.176 6.227 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.450 -7.109 7.930 1.00 0.00 N ATOM 0 H ARG A 39 -2.573 -1.470 5.399 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.065 -2.660 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.947 -3.259 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.283 -4.326 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.293 -5.095 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.736 -3.504 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.821 -4.950 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.882 -3.637 5.808 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.263 -5.613 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.842 -5.530 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.570 -6.755 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.320 -7.182 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.351 -7.687 8.185 1.00 0.00 H new ATOM 636 N GLU A 40 -4.767 -1.628 7.960 1.00 0.00 N ATOM 637 CA GLU A 40 -5.527 -1.201 9.137 1.00 0.00 C ATOM 638 C GLU A 40 -6.684 -0.270 8.767 1.00 0.00 C ATOM 639 O GLU A 40 -7.731 -0.285 9.412 1.00 0.00 O ATOM 640 CB GLU A 40 -4.593 -0.497 10.126 1.00 0.00 C ATOM 641 CG GLU A 40 -5.224 -0.233 11.483 1.00 0.00 C ATOM 642 CD GLU A 40 -5.325 -1.486 12.331 1.00 0.00 C ATOM 643 OE1 GLU A 40 -6.341 -2.202 12.216 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.385 -1.753 13.110 1.00 0.00 O ATOM 0 H GLU A 40 -3.760 -1.686 8.112 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.955 -2.092 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.699 -1.105 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.270 0.451 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.635 0.515 12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.220 0.187 11.341 1.00 0.00 H new ATOM 651 N ALA A 41 -6.500 0.519 7.714 1.00 0.00 N ATOM 652 CA ALA A 41 -7.521 1.465 7.275 1.00 0.00 C ATOM 653 C ALA A 41 -8.773 0.778 6.713 1.00 0.00 C ATOM 654 O ALA A 41 -9.763 0.574 7.424 1.00 0.00 O ATOM 655 CB ALA A 41 -6.939 2.415 6.240 1.00 0.00 C ATOM 0 H ALA A 41 -5.652 0.523 7.147 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.836 2.022 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.708 3.117 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.106 2.965 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.586 1.845 5.381 1.00 0.00 H new ATOM 661 N PHE A 42 -8.723 0.410 5.437 1.00 0.00 N ATOM 662 CA PHE A 42 -9.871 -0.202 4.776 1.00 0.00 C ATOM 663 C PHE A 42 -10.088 -1.656 5.186 1.00 0.00 C ATOM 664 O PHE A 42 -11.182 -2.193 5.017 1.00 0.00 O ATOM 665 CB PHE A 42 -9.722 -0.087 3.260 1.00 0.00 C ATOM 666 CG PHE A 42 -10.184 1.239 2.723 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.416 2.380 2.896 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.393 1.345 2.054 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.847 3.602 2.410 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.827 2.562 1.565 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.054 3.692 1.743 1.00 0.00 C ATOM 0 H PHE A 42 -7.903 0.524 4.841 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.757 0.345 5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.677 -0.237 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.292 -0.884 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.471 2.315 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.003 0.465 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.241 4.484 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.770 2.629 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.392 4.644 1.362 1.00 0.00 H new ATOM 681 N LYS A 43 -9.057 -2.291 5.727 1.00 0.00 N ATOM 682 CA LYS A 43 -9.170 -3.683 6.147 1.00 0.00 C ATOM 683 C LYS A 43 -10.119 -3.822 7.334 1.00 0.00 C ATOM 684 O LYS A 43 -10.886 -4.783 7.407 1.00 0.00 O ATOM 685 CB LYS A 43 -7.797 -4.264 6.498 1.00 0.00 C ATOM 686 CG LYS A 43 -7.644 -5.735 6.142 1.00 0.00 C ATOM 687 CD LYS A 43 -7.815 -5.978 4.646 1.00 0.00 C ATOM 688 CE LYS A 43 -6.843 -5.146 3.822 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.973 -5.420 2.366 1.00 0.00 N ATOM 0 H LYS A 43 -8.141 -1.870 5.885 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.580 -4.247 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.027 -3.692 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.622 -4.138 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.661 -6.084 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.381 -6.320 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.662 -7.035 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.837 -5.738 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.022 -4.087 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.823 -5.358 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.394 -4.741 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.647 -6.387 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.969 -5.324 2.082 1.00 0.00 H new ATOM 703 N VAL A 44 -10.075 -2.867 8.268 1.00 0.00 N ATOM 704 CA VAL A 44 -10.958 -2.924 9.428 1.00 0.00 C ATOM 705 C VAL A 44 -12.404 -2.659 9.028 1.00 0.00 C ATOM 706 O VAL A 44 -13.325 -3.235 9.608 1.00 0.00 O ATOM 707 CB VAL A 44 -10.549 -1.939 10.540 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.156 -2.263 11.052 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.632 -0.502 10.054 1.00 0.00 C ATOM 0 H VAL A 44 -9.449 -2.062 8.243 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.865 -3.934 9.826 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.250 -2.049 11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.884 -1.557 11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.143 -3.276 11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.441 -2.188 10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.338 0.172 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.963 -0.366 9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.655 -0.279 9.750 1.00 0.00 H new ATOM 719 N PHE A 45 -12.608 -1.785 8.039 1.00 0.00 N ATOM 720 CA PHE A 45 -13.965 -1.486 7.580 1.00 0.00 C ATOM 721 C PHE A 45 -14.628 -2.753 7.052 1.00 0.00 C ATOM 722 O PHE A 45 -15.850 -2.821 6.926 1.00 0.00 O ATOM 723 CB PHE A 45 -13.964 -0.393 6.504 1.00 0.00 C ATOM 724 CG PHE A 45 -13.559 0.960 7.024 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.209 1.522 8.114 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.532 1.670 6.426 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.841 2.764 8.593 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.161 2.914 6.900 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.816 3.462 7.985 1.00 0.00 C ATOM 0 H PHE A 45 -11.868 -1.282 7.550 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.536 -1.112 8.430 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.285 -0.684 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.960 -0.323 6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.012 0.982 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.014 1.246 5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.355 3.189 9.443 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.359 3.457 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.528 4.434 8.357 1.00 0.00 H new ATOM 739 N ASP A 46 -13.807 -3.754 6.748 1.00 0.00 N ATOM 740 CA ASP A 46 -14.305 -5.032 6.256 1.00 0.00 C ATOM 741 C ASP A 46 -14.842 -5.856 7.423 1.00 0.00 C ATOM 742 O ASP A 46 -14.107 -6.619 8.052 1.00 0.00 O ATOM 743 CB ASP A 46 -13.193 -5.792 5.532 1.00 0.00 C ATOM 744 CG ASP A 46 -13.704 -7.024 4.815 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.705 -6.910 4.078 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.100 -8.103 4.987 1.00 0.00 O ATOM 0 H ASP A 46 -12.792 -3.703 6.834 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.113 -4.852 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.714 -5.129 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.429 -6.085 6.252 1.00 0.00 H new ATOM 751 N ARG A 47 -16.129 -5.686 7.705 1.00 0.00 N ATOM 752 CA ARG A 47 -16.783 -6.380 8.811 1.00 0.00 C ATOM 753 C ARG A 47 -16.620 -7.896 8.721 1.00 0.00 C ATOM 754 O ARG A 47 -16.501 -8.571 9.743 1.00 0.00 O ATOM 755 CB ARG A 47 -18.266 -6.008 8.848 1.00 0.00 C ATOM 756 CG ARG A 47 -18.507 -4.507 8.819 1.00 0.00 C ATOM 757 CD ARG A 47 -19.984 -4.172 8.917 1.00 0.00 C ATOM 758 NE ARG A 47 -20.228 -2.736 8.799 1.00 0.00 N ATOM 759 CZ ARG A 47 -21.333 -2.136 9.236 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.292 -2.845 9.818 1.00 0.00 N ATOM 761 NH2 ARG A 47 -21.478 -0.826 9.091 1.00 0.00 N ATOM 0 H ARG A 47 -16.746 -5.068 7.178 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.299 -6.061 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.771 -6.467 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.716 -6.425 9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.972 -4.037 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.100 -4.091 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.528 -4.698 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.374 -4.529 9.870 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.511 -2.161 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.184 -3.853 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.137 -2.382 10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.743 -0.278 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.325 -0.366 9.426 1.00 0.00 H new ATOM 775 N ASP A 48 -16.613 -8.430 7.503 1.00 0.00 N ATOM 776 CA ASP A 48 -16.465 -9.871 7.313 1.00 0.00 C ATOM 777 C ASP A 48 -15.013 -10.309 7.489 1.00 0.00 C ATOM 778 O ASP A 48 -14.735 -11.482 7.733 1.00 0.00 O ATOM 779 CB ASP A 48 -16.964 -10.276 5.925 1.00 0.00 C ATOM 780 CG ASP A 48 -18.400 -9.859 5.682 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.313 -10.565 6.159 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.612 -8.825 5.013 1.00 0.00 O ATOM 0 H ASP A 48 -16.707 -7.894 6.640 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.066 -10.370 8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.324 -9.825 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.879 -11.357 5.812 1.00 0.00 H new ATOM 787 N GLY A 49 -14.092 -9.357 7.366 1.00 0.00 N ATOM 788 CA GLY A 49 -12.680 -9.658 7.526 1.00 0.00 C ATOM 789 C GLY A 49 -12.175 -10.684 6.530 1.00 0.00 C ATOM 790 O GLY A 49 -11.069 -11.205 6.677 1.00 0.00 O ATOM 0 H GLY A 49 -14.299 -8.380 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.104 -8.739 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.505 -10.025 8.537 1.00 0.00 H new ATOM 794 N ASN A 50 -12.980 -10.975 5.512 1.00 0.00 N ATOM 795 CA ASN A 50 -12.598 -11.947 4.490 1.00 0.00 C ATOM 796 C ASN A 50 -11.435 -11.428 3.649 1.00 0.00 C ATOM 797 O ASN A 50 -10.911 -12.141 2.794 1.00 0.00 O ATOM 798 CB ASN A 50 -13.789 -12.273 3.584 1.00 0.00 C ATOM 799 CG ASN A 50 -14.387 -11.039 2.935 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.339 -9.942 3.493 1.00 0.00 O ATOM 801 ND2 ASN A 50 -14.960 -11.213 1.751 1.00 0.00 N ATOM 0 H ASN A 50 -13.898 -10.554 5.372 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.280 -12.857 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.470 -12.968 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.557 -12.779 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.383 -10.421 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.978 -12.139 1.324 1.00 0.00 H new ATOM 808 N GLY A 51 -11.035 -10.185 3.901 1.00 0.00 N ATOM 809 CA GLY A 51 -9.940 -9.594 3.158 1.00 0.00 C ATOM 810 C GLY A 51 -10.425 -8.755 1.993 1.00 0.00 C ATOM 811 O GLY A 51 -9.695 -7.904 1.484 1.00 0.00 O ATOM 0 H GLY A 51 -11.451 -9.578 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.343 -8.974 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.287 -10.384 2.787 1.00 0.00 H new ATOM 815 N PHE A 52 -11.662 -8.997 1.572 1.00 0.00 N ATOM 816 CA PHE A 52 -12.253 -8.258 0.462 1.00 0.00 C ATOM 817 C PHE A 52 -13.413 -7.397 0.951 1.00 0.00 C ATOM 818 O PHE A 52 -14.306 -7.882 1.644 1.00 0.00 O ATOM 819 CB PHE A 52 -12.745 -9.226 -0.617 1.00 0.00 C ATOM 820 CG PHE A 52 -11.902 -10.463 -0.749 1.00 0.00 C ATOM 821 CD1 PHE A 52 -10.797 -10.483 -1.585 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.218 -11.608 -0.036 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.023 -11.621 -1.704 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.449 -12.748 -0.151 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.349 -12.757 -0.986 1.00 0.00 C ATOM 0 H PHE A 52 -12.276 -9.700 1.983 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.488 -7.609 0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.770 -9.518 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.766 -8.707 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.538 -9.599 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.077 -11.608 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.163 -11.623 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.707 -13.633 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.746 -13.648 -1.078 1.00 0.00 H new ATOM 835 N ILE A 53 -13.397 -6.120 0.585 1.00 0.00 N ATOM 836 CA ILE A 53 -14.449 -5.196 0.994 1.00 0.00 C ATOM 837 C ILE A 53 -15.558 -5.115 -0.051 1.00 0.00 C ATOM 838 O ILE A 53 -15.292 -4.999 -1.248 1.00 0.00 O ATOM 839 CB ILE A 53 -13.884 -3.782 1.235 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.771 -3.825 2.283 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.991 -2.832 1.672 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.741 -2.734 2.105 1.00 0.00 C ATOM 0 H ILE A 53 -12.668 -5.701 0.007 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.864 -5.583 1.924 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.464 -3.413 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.213 -3.740 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.275 -4.795 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.574 -1.839 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.754 -2.780 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.439 -3.196 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.980 -2.822 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.273 -2.832 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.225 -1.760 2.180 1.00 0.00 H new ATOM 854 N SER A 54 -16.802 -5.173 0.415 1.00 0.00 N ATOM 855 CA SER A 54 -17.957 -5.096 -0.471 1.00 0.00 C ATOM 856 C SER A 54 -18.417 -3.649 -0.615 1.00 0.00 C ATOM 857 O SER A 54 -17.867 -2.756 0.027 1.00 0.00 O ATOM 858 CB SER A 54 -19.102 -5.960 0.061 1.00 0.00 C ATOM 859 OG SER A 54 -18.730 -7.328 0.106 1.00 0.00 O ATOM 0 H SER A 54 -17.035 -5.273 1.403 1.00 0.00 H new ATOM 0 HA SER A 54 -17.664 -5.473 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.383 -5.623 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.979 -5.839 -0.575 1.00 0.00 H new ATOM 0 HG SER A 54 -17.756 -7.405 0.027 1.00 0.00 H new ATOM 865 N LYS A 55 -19.417 -3.414 -1.459 1.00 0.00 N ATOM 866 CA LYS A 55 -19.926 -2.064 -1.668 1.00 0.00 C ATOM 867 C LYS A 55 -20.577 -1.521 -0.398 1.00 0.00 C ATOM 868 O LYS A 55 -20.269 -0.414 0.044 1.00 0.00 O ATOM 869 CB LYS A 55 -20.933 -2.040 -2.822 1.00 0.00 C ATOM 870 CG LYS A 55 -20.368 -2.551 -4.140 1.00 0.00 C ATOM 871 CD LYS A 55 -20.576 -4.050 -4.298 1.00 0.00 C ATOM 872 CE LYS A 55 -22.025 -4.384 -4.612 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.406 -3.962 -5.989 1.00 0.00 N ATOM 0 H LYS A 55 -19.888 -4.135 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.080 -1.425 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.798 -2.644 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.288 -1.019 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.846 -2.028 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.303 -2.324 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.935 -4.425 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.275 -4.558 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.182 -5.457 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.676 -3.893 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.353 -3.533 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.718 -3.267 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.413 -4.791 -6.617 1.00 0.00 H new ATOM 887 N GLN A 56 -21.475 -2.311 0.187 1.00 0.00 N ATOM 888 CA GLN A 56 -22.172 -1.909 1.404 1.00 0.00 C ATOM 889 C GLN A 56 -21.184 -1.594 2.524 1.00 0.00 C ATOM 890 O GLN A 56 -21.390 -0.659 3.300 1.00 0.00 O ATOM 891 CB GLN A 56 -23.135 -3.012 1.850 1.00 0.00 C ATOM 892 CG GLN A 56 -24.235 -2.522 2.782 1.00 0.00 C ATOM 893 CD GLN A 56 -25.422 -1.926 2.042 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.171 -1.349 0.870 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -26.554 -1.984 2.519 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.736 -3.233 -0.163 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.740 -1.005 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -23.591 -3.462 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.568 -3.796 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.578 -3.353 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -23.823 -1.773 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.705 -2.435 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -27.342 -1.581 2.012 1.00 0.00 H new ATOM 904 N GLU A 57 -20.113 -2.379 2.606 1.00 0.00 N ATOM 905 CA GLU A 57 -19.091 -2.178 3.630 1.00 0.00 C ATOM 906 C GLU A 57 -18.291 -0.914 3.342 1.00 0.00 C ATOM 907 O GLU A 57 -18.005 -0.123 4.244 1.00 0.00 O ATOM 908 CB GLU A 57 -18.157 -3.388 3.693 1.00 0.00 C ATOM 909 CG GLU A 57 -18.856 -4.673 4.108 1.00 0.00 C ATOM 910 CD GLU A 57 -17.957 -5.890 3.995 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.188 -6.152 4.944 1.00 0.00 O ATOM 912 OE2 GLU A 57 -18.024 -6.581 2.957 1.00 0.00 O ATOM 0 H GLU A 57 -19.930 -3.160 1.976 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.586 -2.066 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.697 -3.533 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.351 -3.179 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.204 -4.577 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.739 -4.819 3.486 1.00 0.00 H new ATOM 919 N LEU A 58 -17.925 -0.735 2.078 1.00 0.00 N ATOM 920 CA LEU A 58 -17.170 0.435 1.658 1.00 0.00 C ATOM 921 C LEU A 58 -17.973 1.701 1.945 1.00 0.00 C ATOM 922 O LEU A 58 -17.412 2.777 2.149 1.00 0.00 O ATOM 923 CB LEU A 58 -16.847 0.337 0.161 1.00 0.00 C ATOM 924 CG LEU A 58 -15.541 1.003 -0.291 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.634 2.516 -0.188 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.363 0.479 0.518 1.00 0.00 C ATOM 0 H LEU A 58 -18.141 -1.389 1.325 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.235 0.479 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.808 -0.717 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.671 0.782 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.379 0.748 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.694 2.961 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.445 2.875 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.829 2.799 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.446 0.964 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.522 0.696 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.276 -0.598 0.378 1.00 0.00 H new ATOM 938 N GLY A 59 -19.295 1.553 1.976 1.00 0.00 N ATOM 939 CA GLY A 59 -20.164 2.682 2.246 1.00 0.00 C ATOM 940 C GLY A 59 -20.013 3.181 3.666 1.00 0.00 C ATOM 941 O GLY A 59 -20.399 4.305 3.987 1.00 0.00 O ATOM 0 H GLY A 59 -19.779 0.669 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.936 3.490 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.200 2.393 2.071 1.00 0.00 H new ATOM 945 N THR A 60 -19.445 2.334 4.520 1.00 0.00 N ATOM 946 CA THR A 60 -19.226 2.679 5.916 1.00 0.00 C ATOM 947 C THR A 60 -17.884 3.385 6.080 1.00 0.00 C ATOM 948 O THR A 60 -17.675 4.142 7.028 1.00 0.00 O ATOM 949 CB THR A 60 -19.256 1.426 6.812 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.474 0.703 6.596 1.00 0.00 O ATOM 951 CG2 THR A 60 -19.141 1.801 8.282 1.00 0.00 C ATOM 0 H THR A 60 -19.127 1.399 4.265 1.00 0.00 H new ATOM 0 HA THR A 60 -20.032 3.346 6.223 1.00 0.00 H new ATOM 0 HB THR A 60 -18.404 0.800 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.287 -0.259 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.165 0.897 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 60 -18.202 2.328 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.974 2.447 8.559 1.00 0.00 H new ATOM 959 N ALA A 61 -16.976 3.123 5.145 1.00 0.00 N ATOM 960 CA ALA A 61 -15.654 3.737 5.168 1.00 0.00 C ATOM 961 C ALA A 61 -15.732 5.214 4.795 1.00 0.00 C ATOM 962 O ALA A 61 -15.140 6.064 5.459 1.00 0.00 O ATOM 963 CB ALA A 61 -14.715 3.003 4.222 1.00 0.00 C ATOM 0 H ALA A 61 -17.132 2.489 4.361 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.262 3.663 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.731 3.472 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.629 1.961 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.111 3.049 3.208 1.00 0.00 H new ATOM 969 N MET A 62 -16.466 5.509 3.727 1.00 0.00 N ATOM 970 CA MET A 62 -16.627 6.882 3.258 1.00 0.00 C ATOM 971 C MET A 62 -17.304 7.757 4.310 1.00 0.00 C ATOM 972 O MET A 62 -16.823 8.847 4.622 1.00 0.00 O ATOM 973 CB MET A 62 -17.439 6.906 1.961 1.00 0.00 C ATOM 974 CG MET A 62 -16.742 6.223 0.795 1.00 0.00 C ATOM 975 SD MET A 62 -15.214 7.051 0.319 1.00 0.00 S ATOM 976 CE MET A 62 -15.845 8.637 -0.227 1.00 0.00 C ATOM 0 H MET A 62 -16.960 4.814 3.168 1.00 0.00 H new ATOM 0 HA MET A 62 -15.633 7.287 3.070 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.400 6.421 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.649 7.941 1.692 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.523 5.189 1.063 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.417 6.194 -0.060 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.094 9.137 -0.839 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.750 8.486 -0.816 1.00 0.00 H new ATOM 0 HE3 MET A 62 -16.076 9.255 0.641 1.00 0.00 H new ATOM 986 N ARG A 63 -18.421 7.277 4.854 1.00 0.00 N ATOM 987 CA ARG A 63 -19.159 8.026 5.868 1.00 0.00 C ATOM 988 C ARG A 63 -18.274 8.341 7.068 1.00 0.00 C ATOM 989 O ARG A 63 -18.470 9.350 7.747 1.00 0.00 O ATOM 990 CB ARG A 63 -20.396 7.246 6.320 1.00 0.00 C ATOM 991 CG ARG A 63 -20.072 5.914 6.974 1.00 0.00 C ATOM 992 CD ARG A 63 -21.300 5.297 7.624 1.00 0.00 C ATOM 993 NE ARG A 63 -22.384 5.092 6.667 1.00 0.00 N ATOM 994 CZ ARG A 63 -23.539 4.506 6.973 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.756 4.061 8.203 1.00 0.00 N ATOM 996 NH2 ARG A 63 -24.477 4.364 6.047 1.00 0.00 N ATOM 0 H ARG A 63 -18.833 6.376 4.610 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.479 8.967 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.964 7.857 7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.039 7.071 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.672 5.229 6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.295 6.056 7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.030 4.342 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.646 5.944 8.430 1.00 0.00 H new ATOM 0 HE ARG A 63 -22.248 5.416 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.037 4.167 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.642 3.612 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -24.314 4.704 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.362 3.915 6.282 1.00 0.00 H new ATOM 1010 N SER A 64 -17.304 7.470 7.331 1.00 0.00 N ATOM 1011 CA SER A 64 -16.386 7.663 8.448 1.00 0.00 C ATOM 1012 C SER A 64 -15.656 8.996 8.321 1.00 0.00 C ATOM 1013 O SER A 64 -15.407 9.677 9.315 1.00 0.00 O ATOM 1014 CB SER A 64 -15.374 6.516 8.514 1.00 0.00 C ATOM 1015 OG SER A 64 -14.501 6.669 9.621 1.00 0.00 O ATOM 0 H SER A 64 -17.134 6.625 6.786 1.00 0.00 H new ATOM 0 HA SER A 64 -16.969 7.671 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.902 5.565 8.592 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.794 6.485 7.591 1.00 0.00 H new ATOM 0 HG SER A 64 -13.865 5.923 9.642 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.317 9.361 7.087 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.618 10.613 6.824 1.00 0.00 C ATOM 1023 C LEU A 65 -15.575 11.799 6.909 1.00 0.00 C ATOM 1024 O LEU A 65 -15.145 12.948 7.016 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.961 10.571 5.442 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.224 9.269 5.109 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.632 9.334 3.708 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.135 8.990 6.135 1.00 0.00 C ATOM 0 H LEU A 65 -15.516 8.806 6.254 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.846 10.737 7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.729 10.738 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.255 11.398 5.368 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.944 8.451 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.113 8.401 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.431 9.484 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.928 10.164 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.624 8.061 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.417 9.810 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.582 8.898 7.125 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.873 11.512 6.859 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.872 12.563 6.930 1.00 0.00 C ATOM 1042 C GLY A 66 -18.720 12.647 5.676 1.00 0.00 C ATOM 1043 O GLY A 66 -19.471 13.606 5.491 1.00 0.00 O ATOM 0 H GLY A 66 -17.251 10.569 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.518 12.387 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.376 13.520 7.094 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.599 11.643 4.814 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.361 11.600 3.569 1.00 0.00 C ATOM 1049 C TYR A 67 -20.187 10.321 3.489 1.00 0.00 C ATOM 1050 O TYR A 67 -19.694 9.282 3.052 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.416 11.687 2.369 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.394 12.794 2.484 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.687 14.083 2.059 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.135 12.551 3.022 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.757 15.099 2.166 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.200 13.562 3.132 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.515 14.833 2.703 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.586 15.842 2.812 1.00 0.00 O ATOM 0 H TYR A 67 -17.979 10.845 4.954 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.039 12.453 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.897 10.735 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.004 11.839 1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.659 14.295 1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.884 11.556 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.001 16.096 1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.226 13.357 3.552 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.764 15.488 3.212 1.00 0.00 H new ATOM 1068 N MET A 68 -21.446 10.404 3.912 1.00 0.00 N ATOM 1069 CA MET A 68 -22.337 9.247 3.901 1.00 0.00 C ATOM 1070 C MET A 68 -22.877 8.965 2.494 1.00 0.00 C ATOM 1071 O MET A 68 -23.661 9.747 1.955 1.00 0.00 O ATOM 1072 CB MET A 68 -23.500 9.468 4.873 1.00 0.00 C ATOM 1073 CG MET A 68 -24.238 10.780 4.659 1.00 0.00 C ATOM 1074 SD MET A 68 -25.614 11.000 5.803 1.00 0.00 S ATOM 1075 CE MET A 68 -26.660 9.619 5.349 1.00 0.00 C ATOM 0 H MET A 68 -21.872 11.260 4.267 1.00 0.00 H new ATOM 0 HA MET A 68 -21.759 8.379 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.206 8.644 4.773 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.119 9.439 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.539 11.608 4.775 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.612 10.819 3.636 1.00 0.00 H new ATOM 0 HE1 MET A 68 -27.674 9.797 5.708 1.00 0.00 H new ATOM 0 HE2 MET A 68 -26.672 9.513 4.264 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.271 8.705 5.798 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.458 7.841 1.874 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.911 7.457 0.541 1.00 0.00 C ATOM 1087 C PRO A 69 -24.161 6.586 0.587 1.00 0.00 C ATOM 1088 O PRO A 69 -24.325 5.769 1.494 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.723 6.660 0.014 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.154 5.990 1.222 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.500 6.856 2.413 1.00 0.00 C ATOM 0 HA PRO A 69 -23.189 8.313 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.035 5.931 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.989 7.310 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.570 4.989 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.074 5.878 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.942 6.269 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.615 7.343 2.823 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.039 6.765 -0.393 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.272 5.990 -0.464 1.00 0.00 C ATOM 1101 C ASN A 70 -26.041 4.673 -1.196 1.00 0.00 C ATOM 1102 O ASN A 70 -24.931 4.393 -1.647 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.367 6.798 -1.158 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.810 7.668 -2.261 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.583 7.070 -3.418 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -26.578 8.861 -2.070 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.920 7.439 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.594 5.764 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.112 6.119 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.877 7.423 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.770 9.278 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.194 9.433 -2.822 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.090 3.867 -1.314 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.990 2.576 -1.988 1.00 0.00 C ATOM 1115 C GLU A 71 -26.536 2.739 -3.437 1.00 0.00 C ATOM 1116 O GLU A 71 -26.044 1.792 -4.052 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.338 1.850 -1.943 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.449 2.585 -2.673 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.776 1.855 -2.600 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.000 0.947 -3.430 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.591 2.189 -1.715 1.00 0.00 O ATOM 0 H GLU A 71 -28.019 4.084 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.242 1.982 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.222 0.858 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.630 1.708 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.562 3.581 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.168 2.716 -3.718 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.699 3.942 -3.978 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.313 4.220 -5.357 1.00 0.00 C ATOM 1130 C VAL A 72 -24.869 4.708 -5.451 1.00 0.00 C ATOM 1131 O VAL A 72 -24.189 4.471 -6.451 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.243 5.271 -5.992 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.916 5.461 -7.466 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.700 4.873 -5.808 1.00 0.00 C ATOM 0 H VAL A 72 -27.096 4.740 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.402 3.281 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.082 6.223 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.585 6.208 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.884 5.797 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.044 4.515 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.343 5.627 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.877 3.909 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.925 4.798 -4.744 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.404 5.389 -4.408 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.043 5.917 -4.384 1.00 0.00 C ATOM 1146 C GLU A 73 -22.010 4.807 -4.203 1.00 0.00 C ATOM 1147 O GLU A 73 -21.067 4.694 -4.986 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.892 6.953 -3.266 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.599 8.268 -3.550 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.114 8.930 -4.824 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -22.051 9.586 -4.785 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.795 8.792 -5.862 1.00 0.00 O ATOM 0 H GLU A 73 -24.949 5.588 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.861 6.394 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.283 6.533 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.832 7.148 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.672 8.090 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.445 8.947 -2.711 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.191 3.988 -3.171 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.263 2.894 -2.885 1.00 0.00 C ATOM 1161 C LEU A 74 -21.065 1.983 -4.099 1.00 0.00 C ATOM 1162 O LEU A 74 -20.106 1.212 -4.154 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.757 2.081 -1.682 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.240 1.700 -1.709 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.475 0.505 -2.619 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.738 1.400 -0.303 1.00 0.00 C ATOM 0 H LEU A 74 -22.971 4.060 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.295 3.335 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.166 1.167 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.563 2.653 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.801 2.547 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.535 0.253 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.158 0.751 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.901 -0.347 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.794 1.131 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.167 0.571 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.611 2.282 0.324 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.971 2.078 -5.067 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.893 1.255 -6.273 1.00 0.00 C ATOM 1180 C GLU A 75 -20.938 1.849 -7.309 1.00 0.00 C ATOM 1181 O GLU A 75 -20.285 1.113 -8.048 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.282 1.095 -6.896 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.241 0.269 -6.055 1.00 0.00 C ATOM 1184 CD GLU A 75 -23.816 -1.181 -5.937 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.036 -1.943 -6.902 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.267 -1.554 -4.881 1.00 0.00 O ATOM 0 H GLU A 75 -22.767 2.715 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.506 0.281 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.713 2.083 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.179 0.629 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.312 0.705 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.237 0.317 -6.495 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.856 3.177 -7.360 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.988 3.846 -8.328 1.00 0.00 C ATOM 1195 C VAL A 76 -18.576 4.062 -7.789 1.00 0.00 C ATOM 1196 O VAL A 76 -17.629 4.220 -8.559 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.573 5.205 -8.769 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.933 5.015 -9.423 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.673 6.158 -7.588 1.00 0.00 C ATOM 0 H VAL A 76 -21.375 3.807 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.932 3.180 -9.189 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.898 5.645 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.329 5.984 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.829 4.374 -10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.617 4.550 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.088 7.109 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.322 5.727 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.681 6.322 -7.168 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.441 4.077 -6.470 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.141 4.280 -5.838 1.00 0.00 C ATOM 1211 C ILE A 77 -16.324 2.988 -5.804 1.00 0.00 C ATOM 1212 O ILE A 77 -15.095 3.020 -5.750 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.307 4.820 -4.404 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.148 6.097 -4.422 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.949 5.082 -3.767 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.125 6.194 -3.273 1.00 0.00 C ATOM 0 H ILE A 77 -19.214 3.951 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.604 5.013 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.821 4.069 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.483 6.960 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.699 6.146 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.089 5.463 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.379 4.153 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.405 5.818 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.687 7.125 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.814 5.350 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.580 6.177 -2.329 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.016 1.855 -5.848 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.359 0.551 -5.804 1.00 0.00 C ATOM 1230 C ILE A 78 -15.777 0.142 -7.158 1.00 0.00 C ATOM 1231 O ILE A 78 -14.723 -0.490 -7.214 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.336 -0.540 -5.307 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.408 -0.523 -3.778 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -16.930 -1.923 -5.812 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.124 -0.960 -3.101 1.00 0.00 C ATOM 0 H ILE A 78 -18.033 1.812 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.531 0.646 -5.102 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.325 -0.320 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.658 0.485 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.219 -1.175 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.637 -2.667 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.932 -1.927 -6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.930 -2.163 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.252 -0.922 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.883 -1.979 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.313 -0.293 -3.394 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.452 0.502 -8.245 1.00 0.00 N ATOM 1248 CA GLN A 79 -15.982 0.139 -9.580 1.00 0.00 C ATOM 1249 C GLN A 79 -14.623 0.765 -9.885 1.00 0.00 C ATOM 1250 O GLN A 79 -13.846 0.226 -10.673 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.000 0.564 -10.640 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.224 2.066 -10.704 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.220 2.463 -11.776 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -18.346 1.794 -12.802 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.934 3.558 -11.543 1.00 0.00 N ATOM 0 H GLN A 79 -17.319 1.040 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.870 -0.945 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.663 0.214 -11.616 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.951 0.072 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.579 2.418 -9.735 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.273 2.563 -10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.797 4.082 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.620 3.875 -12.228 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.338 1.904 -9.257 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.072 2.600 -9.469 1.00 0.00 C ATOM 1266 C ARG A 80 -11.884 1.723 -9.082 1.00 0.00 C ATOM 1267 O ARG A 80 -10.851 1.732 -9.753 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.040 3.898 -8.657 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.238 4.807 -8.892 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.215 5.431 -10.280 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.559 4.468 -11.323 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.778 4.800 -12.593 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.690 6.066 -12.978 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.086 3.862 -13.479 1.00 0.00 N ATOM 0 H ARG A 80 -14.966 2.364 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.994 2.833 -10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.988 3.650 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.129 4.445 -8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.157 4.235 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.248 5.596 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.915 6.266 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.224 5.839 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.636 3.485 -11.063 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.454 6.790 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.859 6.316 -13.952 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.155 2.887 -13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.254 4.116 -14.453 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.034 0.969 -7.999 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.965 0.099 -7.517 1.00 0.00 C ATOM 1290 C LEU A 81 -11.077 -1.299 -8.120 1.00 0.00 C ATOM 1291 O LEU A 81 -10.085 -1.872 -8.569 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.994 0.004 -5.986 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.824 1.329 -5.229 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -9.625 2.105 -5.751 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -12.090 2.170 -5.322 1.00 0.00 C ATOM 0 H LEU A 81 -12.885 0.942 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.018 0.538 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.942 -0.444 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.205 -0.677 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.644 1.095 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.527 3.039 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.721 1.510 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.766 2.323 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.947 3.104 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.306 2.388 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.925 1.621 -4.886 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.290 -1.842 -8.122 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.537 -3.175 -8.661 1.00 0.00 C ATOM 1309 C ASP A 82 -12.360 -3.193 -10.180 1.00 0.00 C ATOM 1310 O ASP A 82 -13.330 -3.083 -10.931 1.00 0.00 O ATOM 1311 CB ASP A 82 -13.946 -3.637 -8.284 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.183 -5.099 -8.598 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.500 -5.953 -7.993 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.054 -5.391 -9.441 1.00 0.00 O ATOM 0 H ASP A 82 -13.121 -1.377 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.809 -3.862 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.107 -3.467 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.678 -3.031 -8.818 1.00 0.00 H new ATOM 1319 N MET A 83 -11.113 -3.331 -10.621 1.00 0.00 N ATOM 1320 CA MET A 83 -10.795 -3.356 -12.046 1.00 0.00 C ATOM 1321 C MET A 83 -10.972 -4.750 -12.648 1.00 0.00 C ATOM 1322 O MET A 83 -11.536 -4.897 -13.731 1.00 0.00 O ATOM 1323 CB MET A 83 -9.360 -2.873 -12.273 1.00 0.00 C ATOM 1324 CG MET A 83 -8.327 -3.614 -11.439 1.00 0.00 C ATOM 1325 SD MET A 83 -6.681 -2.888 -11.564 1.00 0.00 S ATOM 1326 CE MET A 83 -6.970 -1.263 -10.868 1.00 0.00 C ATOM 0 H MET A 83 -10.303 -3.428 -10.009 1.00 0.00 H new ATOM 0 HA MET A 83 -11.493 -2.686 -12.548 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.111 -2.986 -13.328 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.304 -1.809 -12.044 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.641 -3.614 -10.395 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.286 -4.655 -11.760 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.133 -0.988 -10.227 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.066 -0.534 -11.673 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.888 -1.277 -10.280 1.00 0.00 H new ATOM 1336 N ASP A 84 -10.490 -5.768 -11.942 1.00 0.00 N ATOM 1337 CA ASP A 84 -10.586 -7.142 -12.424 1.00 0.00 C ATOM 1338 C ASP A 84 -12.029 -7.639 -12.435 1.00 0.00 C ATOM 1339 O ASP A 84 -12.360 -8.594 -13.139 1.00 0.00 O ATOM 1340 CB ASP A 84 -9.716 -8.066 -11.570 1.00 0.00 C ATOM 1341 CG ASP A 84 -9.796 -7.732 -10.094 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.907 -7.424 -9.615 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -8.747 -7.783 -9.419 1.00 0.00 O ATOM 0 H ASP A 84 -10.030 -5.668 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.223 -7.156 -13.452 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.028 -9.099 -11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.680 -7.993 -11.901 1.00 0.00 H new ATOM 1348 N GLY A 85 -12.885 -6.989 -11.653 1.00 0.00 N ATOM 1349 CA GLY A 85 -14.284 -7.379 -11.602 1.00 0.00 C ATOM 1350 C GLY A 85 -14.540 -8.551 -10.672 1.00 0.00 C ATOM 1351 O GLY A 85 -15.071 -9.577 -11.094 1.00 0.00 O ATOM 0 H GLY A 85 -12.637 -6.201 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.881 -6.527 -11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.620 -7.639 -12.606 1.00 0.00 H new ATOM 1355 N ASP A 86 -14.166 -8.397 -9.406 1.00 0.00 N ATOM 1356 CA ASP A 86 -14.365 -9.450 -8.415 1.00 0.00 C ATOM 1357 C ASP A 86 -15.472 -9.076 -7.434 1.00 0.00 C ATOM 1358 O ASP A 86 -15.726 -9.799 -6.470 1.00 0.00 O ATOM 1359 CB ASP A 86 -13.069 -9.723 -7.651 1.00 0.00 C ATOM 1360 CG ASP A 86 -12.004 -10.365 -8.518 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.312 -11.374 -9.186 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -10.862 -9.859 -8.527 1.00 0.00 O ATOM 0 H ASP A 86 -13.723 -7.553 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.661 -10.354 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.686 -8.786 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.282 -10.373 -6.803 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.126 -7.944 -7.682 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.192 -7.496 -6.804 1.00 0.00 C ATOM 1369 C GLY A 87 -16.664 -6.815 -5.555 1.00 0.00 C ATOM 1370 O GLY A 87 -17.331 -5.954 -4.979 1.00 0.00 O ATOM 0 H GLY A 87 -15.937 -7.330 -8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.839 -6.806 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.806 -8.350 -6.517 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.463 -7.202 -5.136 1.00 0.00 N ATOM 1375 CA GLN A 88 -14.838 -6.628 -3.950 1.00 0.00 C ATOM 1376 C GLN A 88 -13.405 -6.201 -4.250 1.00 0.00 C ATOM 1377 O GLN A 88 -12.736 -6.794 -5.097 1.00 0.00 O ATOM 1378 CB GLN A 88 -14.858 -7.637 -2.803 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.258 -8.054 -2.384 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.253 -9.135 -1.322 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.257 -8.726 -0.059 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.248 -10.326 -1.633 1.00 0.00 N flip ATOM 0 H GLN A 88 -14.901 -7.914 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.406 -5.746 -3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.298 -8.523 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.343 -7.208 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.795 -7.183 -2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.803 -8.411 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.245 -10.596 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.247 -11.043 -0.907 1.00 0.00 H new ATOM 1391 N VAL A 89 -12.939 -5.171 -3.550 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.587 -4.659 -3.750 1.00 0.00 C ATOM 1393 C VAL A 89 -10.559 -5.486 -2.983 1.00 0.00 C ATOM 1394 O VAL A 89 -10.627 -5.603 -1.759 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.472 -3.189 -3.307 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.138 -2.603 -3.745 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.629 -2.369 -3.857 1.00 0.00 C ATOM 0 H VAL A 89 -13.477 -4.675 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.382 -4.731 -4.818 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.520 -3.154 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.074 -1.563 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.325 -3.173 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.058 -2.652 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.528 -1.334 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.619 -2.410 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.571 -2.775 -3.488 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.607 -6.058 -3.716 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.556 -6.869 -3.113 1.00 0.00 C ATOM 1409 C ASP A 90 -7.420 -5.989 -2.601 1.00 0.00 C ATOM 1410 O ASP A 90 -7.249 -4.857 -3.057 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.022 -7.883 -4.126 1.00 0.00 C ATOM 1412 CG ASP A 90 -6.957 -8.786 -3.537 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.318 -9.841 -2.974 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.761 -8.440 -3.640 1.00 0.00 O ATOM 0 H ASP A 90 -9.543 -5.974 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.983 -7.407 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.847 -8.492 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.610 -7.352 -4.984 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.650 -6.514 -1.650 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.531 -5.776 -1.067 1.00 0.00 C ATOM 1421 C PHE A 91 -4.657 -5.132 -2.141 1.00 0.00 C ATOM 1422 O PHE A 91 -4.499 -3.911 -2.168 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.682 -6.704 -0.194 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.428 -6.059 0.329 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.496 -4.951 1.157 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.182 -6.561 -0.012 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.345 -4.354 1.636 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.028 -5.968 0.464 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.109 -4.864 1.289 1.00 0.00 C ATOM 0 H PHE A 91 -6.781 -7.450 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.949 -4.979 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.283 -7.047 0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.412 -7.587 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.460 -4.549 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.112 -7.425 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.412 -3.490 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.063 -6.368 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.208 -4.400 1.662 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.096 -5.957 -3.020 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.229 -5.474 -4.092 1.00 0.00 C ATOM 1441 C GLU A 92 -3.874 -4.325 -4.867 1.00 0.00 C ATOM 1442 O GLU A 92 -3.295 -3.246 -4.988 1.00 0.00 O ATOM 1443 CB GLU A 92 -2.883 -6.616 -5.049 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.145 -7.764 -4.382 1.00 0.00 C ATOM 1445 CD GLU A 92 -1.756 -8.854 -5.362 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -2.589 -9.749 -5.615 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -0.618 -8.811 -5.875 1.00 0.00 O ATOM 0 H GLU A 92 -4.227 -6.969 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.316 -5.097 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.802 -6.996 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.271 -6.225 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.248 -7.381 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.774 -8.190 -3.601 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.069 -4.567 -5.396 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.793 -3.558 -6.165 1.00 0.00 C ATOM 1456 C GLU A 93 -5.790 -2.193 -5.473 1.00 0.00 C ATOM 1457 O GLU A 93 -5.694 -1.158 -6.132 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.236 -4.012 -6.399 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.358 -5.196 -7.345 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.760 -5.772 -7.378 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.653 -5.136 -7.977 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -8.966 -6.864 -6.809 1.00 0.00 O ATOM 0 H GLU A 93 -5.559 -5.457 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.278 -3.448 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.684 -4.276 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.810 -3.177 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.073 -4.885 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.657 -5.973 -7.041 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.896 -2.193 -4.147 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.923 -0.945 -3.386 1.00 0.00 C ATOM 1471 C PHE A 94 -4.526 -0.499 -2.948 1.00 0.00 C ATOM 1472 O PHE A 94 -4.301 0.686 -2.702 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.826 -1.094 -2.159 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.954 0.170 -1.353 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.737 1.219 -1.809 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.292 0.307 -0.144 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.856 2.383 -1.074 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.407 1.470 0.597 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.191 2.508 0.131 1.00 0.00 C ATOM 0 H PHE A 94 -5.964 -3.037 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.321 -0.176 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.817 -1.411 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.431 -1.885 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.260 1.125 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.679 -0.503 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.468 3.194 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.885 1.566 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.284 3.416 0.708 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.592 -1.441 -2.853 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.236 -1.118 -2.421 1.00 0.00 C ATOM 1491 C VAL A 95 -1.438 -0.429 -3.525 1.00 0.00 C ATOM 1492 O VAL A 95 -0.517 0.339 -3.245 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.474 -2.374 -1.939 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.815 -3.108 -3.100 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.442 -1.996 -0.887 1.00 0.00 C ATOM 0 H VAL A 95 -3.747 -2.426 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.338 -0.428 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.199 -3.053 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.289 -3.985 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.578 -3.421 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.106 -2.444 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.086 -2.891 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.271 -1.290 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.943 -1.536 -0.035 1.00 0.00 H new ATOM 1505 N THR A 96 -1.793 -0.700 -4.778 1.00 0.00 N ATOM 1506 CA THR A 96 -1.095 -0.103 -5.910 1.00 0.00 C ATOM 1507 C THR A 96 -1.696 1.248 -6.284 1.00 0.00 C ATOM 1508 O THR A 96 -0.974 2.226 -6.475 1.00 0.00 O ATOM 1509 CB THR A 96 -1.133 -1.030 -7.141 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.612 -2.319 -6.798 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.324 -0.442 -8.287 1.00 0.00 C ATOM 0 H THR A 96 -2.556 -1.326 -5.033 1.00 0.00 H new ATOM 0 HA THR A 96 -0.060 0.041 -5.602 1.00 0.00 H new ATOM 0 HB THR A 96 -2.170 -1.129 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.641 -2.903 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.366 -1.114 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.738 0.527 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.713 -0.317 -7.974 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.022 1.297 -6.391 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.715 2.531 -6.744 1.00 0.00 C ATOM 1521 C LEU A 97 -3.436 3.628 -5.722 1.00 0.00 C ATOM 1522 O LEU A 97 -3.597 4.814 -6.009 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.221 2.282 -6.852 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.643 1.380 -8.014 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.134 1.090 -7.951 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.281 2.023 -9.346 1.00 0.00 C ATOM 0 H LEU A 97 -3.636 0.497 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.340 2.864 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.569 1.836 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.727 3.242 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.105 0.436 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.415 0.447 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.368 0.589 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.690 2.026 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.588 1.368 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.792 2.981 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.203 2.180 -9.393 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.015 3.225 -4.527 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.707 4.174 -3.465 1.00 0.00 C ATOM 1540 C LEU A 98 -1.200 4.386 -3.357 1.00 0.00 C ATOM 1541 O LEU A 98 -0.739 5.363 -2.766 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.274 3.678 -2.130 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.083 4.627 -0.943 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.296 4.586 -0.027 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.823 4.266 -0.169 1.00 0.00 C ATOM 0 H LEU A 98 -2.880 2.247 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.172 5.129 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.340 3.489 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.808 2.723 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.974 5.641 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.143 5.266 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.183 4.890 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.434 3.572 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.703 4.951 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.905 3.245 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.957 4.344 -0.827 1.00 0.00 H new