USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= -0.921 K(o=-2.3,f=-11!) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.35 K(o=-2.3,f=-3.5!) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= -2.99 (180deg=-2.99) USER MOD Single : A 54 SER OG : rot 180:sc= -0.128 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.574 K(o=-0.57,f=-4.8) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -159:sc= -0.122 (180deg=-0.638) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 83 MET CE :methyl -167:sc= -0.0484 (180deg=-0.342) USER MOD Single : A 96 THR OG1 : rot 75:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.882 0.602 5.198 1.00 0.00 N ATOM 545 CA LEU A 35 2.120 -0.507 4.634 1.00 0.00 C ATOM 546 C LEU A 35 1.158 -1.079 5.670 1.00 0.00 C ATOM 547 O LEU A 35 0.080 -1.568 5.328 1.00 0.00 O ATOM 548 CB LEU A 35 3.079 -1.597 4.126 1.00 0.00 C ATOM 549 CG LEU A 35 2.442 -2.770 3.361 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.938 -3.836 4.322 1.00 0.00 C ATOM 551 CD2 LEU A 35 1.313 -2.289 2.458 1.00 0.00 C ATOM 0 HA LEU A 35 1.532 -0.137 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.817 -1.126 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.620 -2.001 4.982 1.00 0.00 H new ATOM 0 HG LEU A 35 3.214 -3.213 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.492 -4.654 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.771 -4.215 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.189 -3.403 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.882 -3.140 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.543 -1.809 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.705 -1.574 1.735 1.00 0.00 H new ATOM 563 N GLU A 36 1.552 -1.007 6.937 1.00 0.00 N ATOM 564 CA GLU A 36 0.726 -1.517 8.026 1.00 0.00 C ATOM 565 C GLU A 36 -0.502 -0.639 8.241 1.00 0.00 C ATOM 566 O GLU A 36 -1.533 -1.106 8.725 1.00 0.00 O ATOM 567 CB GLU A 36 1.543 -1.597 9.319 1.00 0.00 C ATOM 568 CG GLU A 36 0.774 -2.186 10.490 1.00 0.00 C ATOM 569 CD GLU A 36 0.317 -3.609 10.230 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.082 -4.544 10.545 1.00 0.00 O ATOM 571 OE2 GLU A 36 -0.804 -3.787 9.711 1.00 0.00 O ATOM 0 H GLU A 36 2.439 -0.600 7.235 1.00 0.00 H new ATOM 0 HA GLU A 36 0.389 -2.517 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.433 -2.200 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.884 -0.597 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.403 -2.167 11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.095 -1.562 10.701 1.00 0.00 H new ATOM 578 N GLU A 37 -0.385 0.635 7.881 1.00 0.00 N ATOM 579 CA GLU A 37 -1.486 1.578 8.039 1.00 0.00 C ATOM 580 C GLU A 37 -2.538 1.388 6.950 1.00 0.00 C ATOM 581 O GLU A 37 -3.705 1.731 7.138 1.00 0.00 O ATOM 582 CB GLU A 37 -0.963 3.016 8.010 1.00 0.00 C ATOM 583 CG GLU A 37 0.002 3.336 9.142 1.00 0.00 C ATOM 584 CD GLU A 37 0.523 4.758 9.077 1.00 0.00 C ATOM 585 OE1 GLU A 37 -0.153 5.663 9.610 1.00 0.00 O ATOM 586 OE2 GLU A 37 1.607 4.968 8.493 1.00 0.00 O ATOM 0 H GLU A 37 0.461 1.038 7.478 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.954 1.385 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.464 3.193 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.808 3.702 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.499 3.180 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.842 2.643 9.106 1.00 0.00 H new ATOM 593 N ILE A 38 -2.121 0.840 5.812 1.00 0.00 N ATOM 594 CA ILE A 38 -3.035 0.609 4.700 1.00 0.00 C ATOM 595 C ILE A 38 -4.063 -0.460 5.052 1.00 0.00 C ATOM 596 O ILE A 38 -5.266 -0.256 4.892 1.00 0.00 O ATOM 597 CB ILE A 38 -2.282 0.183 3.424 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.197 1.210 3.082 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.258 0.023 2.265 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.389 0.858 1.849 1.00 0.00 C ATOM 0 H ILE A 38 -1.159 0.549 5.637 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.544 1.554 4.509 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.801 -0.779 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.665 2.183 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.522 1.308 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.714 -0.278 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.997 -0.739 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.763 0.971 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.358 1.631 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.109 -0.100 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.052 0.789 0.987 1.00 0.00 H new ATOM 612 N ARG A 39 -3.580 -1.602 5.532 1.00 0.00 N ATOM 613 CA ARG A 39 -4.455 -2.704 5.910 1.00 0.00 C ATOM 614 C ARG A 39 -5.419 -2.280 7.007 1.00 0.00 C ATOM 615 O ARG A 39 -6.612 -2.155 6.771 1.00 0.00 O ATOM 616 CB ARG A 39 -3.628 -3.903 6.376 1.00 0.00 C ATOM 617 CG ARG A 39 -2.669 -4.420 5.319 1.00 0.00 C ATOM 618 CD ARG A 39 -1.264 -4.590 5.874 1.00 0.00 C ATOM 619 NE ARG A 39 -1.203 -5.630 6.897 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.071 -6.065 7.443 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.091 -5.546 7.075 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.102 -7.022 8.362 1.00 0.00 N ATOM 0 H ARG A 39 -2.586 -1.787 5.668 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.035 -2.991 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.062 -3.622 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.302 -4.708 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.028 -5.376 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.647 -3.728 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.581 -4.840 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.924 -3.645 6.297 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.079 -6.047 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.120 -4.809 6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.956 -5.883 7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.994 -7.424 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.766 -7.355 8.781 1.00 0.00 H new ATOM 636 N GLU A 40 -4.883 -2.024 8.196 1.00 0.00 N ATOM 637 CA GLU A 40 -5.695 -1.628 9.347 1.00 0.00 C ATOM 638 C GLU A 40 -6.836 -0.686 8.951 1.00 0.00 C ATOM 639 O GLU A 40 -7.903 -0.704 9.559 1.00 0.00 O ATOM 640 CB GLU A 40 -4.808 -0.949 10.394 1.00 0.00 C ATOM 641 CG GLU A 40 -5.472 -0.795 11.753 1.00 0.00 C ATOM 642 CD GLU A 40 -5.540 -2.102 12.520 1.00 0.00 C ATOM 643 OE1 GLU A 40 -6.441 -2.915 12.230 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.689 -2.312 13.410 1.00 0.00 O ATOM 0 H GLU A 40 -3.884 -2.084 8.391 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.142 -2.532 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.892 -1.528 10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.518 0.036 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.921 -0.061 12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.481 -0.404 11.618 1.00 0.00 H new ATOM 651 N ALA A 41 -6.612 0.119 7.920 1.00 0.00 N ATOM 652 CA ALA A 41 -7.617 1.072 7.460 1.00 0.00 C ATOM 653 C ALA A 41 -8.869 0.390 6.894 1.00 0.00 C ATOM 654 O ALA A 41 -9.884 0.250 7.585 1.00 0.00 O ATOM 655 CB ALA A 41 -7.013 2.004 6.420 1.00 0.00 C ATOM 0 H ALA A 41 -5.743 0.132 7.386 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.935 1.645 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.770 2.712 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.178 2.549 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.658 1.420 5.571 1.00 0.00 H new ATOM 661 N PHE A 42 -8.791 -0.052 5.642 1.00 0.00 N ATOM 662 CA PHE A 42 -9.934 -0.675 4.979 1.00 0.00 C ATOM 663 C PHE A 42 -10.133 -2.126 5.403 1.00 0.00 C ATOM 664 O PHE A 42 -11.235 -2.666 5.284 1.00 0.00 O ATOM 665 CB PHE A 42 -9.764 -0.588 3.463 1.00 0.00 C ATOM 666 CG PHE A 42 -10.122 0.757 2.896 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.285 1.848 3.075 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.299 0.929 2.184 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.617 3.084 2.555 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.634 2.165 1.661 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.792 3.243 1.848 1.00 0.00 C ATOM 0 H PHE A 42 -7.951 0.009 5.067 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.826 -0.128 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.730 -0.818 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.385 -1.349 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.364 1.730 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.961 0.089 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.957 3.926 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.553 2.287 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.052 4.209 1.442 1.00 0.00 H new ATOM 681 N LYS A 43 -9.076 -2.755 5.894 1.00 0.00 N ATOM 682 CA LYS A 43 -9.154 -4.145 6.323 1.00 0.00 C ATOM 683 C LYS A 43 -10.120 -4.304 7.496 1.00 0.00 C ATOM 684 O LYS A 43 -10.821 -5.311 7.592 1.00 0.00 O ATOM 685 CB LYS A 43 -7.767 -4.678 6.700 1.00 0.00 C ATOM 686 CG LYS A 43 -7.564 -6.146 6.365 1.00 0.00 C ATOM 687 CD LYS A 43 -7.664 -6.401 4.866 1.00 0.00 C ATOM 688 CE LYS A 43 -6.607 -5.627 4.092 1.00 0.00 C ATOM 689 NZ LYS A 43 -5.228 -6.011 4.500 1.00 0.00 N ATOM 0 H LYS A 43 -8.157 -2.328 6.005 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.534 -4.730 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.009 -4.089 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.610 -4.534 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.587 -6.470 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.310 -6.745 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.551 -7.467 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.655 -6.115 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.733 -5.808 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.749 -4.558 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.538 -5.449 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.104 -5.831 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.078 -7.022 4.307 1.00 0.00 H new ATOM 703 N VAL A 44 -10.161 -3.312 8.390 1.00 0.00 N ATOM 704 CA VAL A 44 -11.062 -3.377 9.536 1.00 0.00 C ATOM 705 C VAL A 44 -12.497 -3.062 9.125 1.00 0.00 C ATOM 706 O VAL A 44 -13.441 -3.614 9.690 1.00 0.00 O ATOM 707 CB VAL A 44 -10.641 -2.430 10.676 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.231 -2.752 11.143 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.754 -0.976 10.247 1.00 0.00 C ATOM 0 H VAL A 44 -9.589 -2.469 8.342 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.003 -4.400 9.908 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.321 -2.582 11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.951 -2.073 11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.193 -3.780 11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.536 -2.635 10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.451 -0.329 11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.106 -0.799 9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.786 -0.756 9.974 1.00 0.00 H new ATOM 719 N PHE A 45 -12.664 -2.172 8.144 1.00 0.00 N ATOM 720 CA PHE A 45 -14.002 -1.818 7.674 1.00 0.00 C ATOM 721 C PHE A 45 -14.744 -3.065 7.199 1.00 0.00 C ATOM 722 O PHE A 45 -15.969 -3.063 7.076 1.00 0.00 O ATOM 723 CB PHE A 45 -13.940 -0.776 6.551 1.00 0.00 C ATOM 724 CG PHE A 45 -13.592 0.609 7.033 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.283 1.187 8.087 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.575 1.331 6.430 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.966 2.457 8.529 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.252 2.602 6.869 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.949 3.165 7.920 1.00 0.00 C ATOM 0 H PHE A 45 -11.902 -1.691 7.667 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.546 -1.379 8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.202 -1.092 5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.904 -0.744 6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.079 0.638 8.568 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.028 0.896 5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.513 2.896 9.350 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.456 3.153 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.699 4.157 8.265 1.00 0.00 H new ATOM 739 N ASP A 46 -13.988 -4.127 6.936 1.00 0.00 N ATOM 740 CA ASP A 46 -14.564 -5.391 6.496 1.00 0.00 C ATOM 741 C ASP A 46 -15.331 -6.041 7.645 1.00 0.00 C ATOM 742 O ASP A 46 -14.758 -6.761 8.463 1.00 0.00 O ATOM 743 CB ASP A 46 -13.459 -6.328 5.999 1.00 0.00 C ATOM 744 CG ASP A 46 -14.003 -7.513 5.227 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.241 -7.626 5.103 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.191 -8.329 4.741 1.00 0.00 O ATOM 0 H ASP A 46 -12.972 -4.136 7.021 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.255 -5.200 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.773 -5.769 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.883 -6.688 6.851 1.00 0.00 H new ATOM 751 N ARG A 47 -16.633 -5.777 7.693 1.00 0.00 N ATOM 752 CA ARG A 47 -17.497 -6.301 8.748 1.00 0.00 C ATOM 753 C ARG A 47 -17.417 -7.823 8.861 1.00 0.00 C ATOM 754 O ARG A 47 -17.229 -8.358 9.953 1.00 0.00 O ATOM 755 CB ARG A 47 -18.942 -5.873 8.497 1.00 0.00 C ATOM 756 CG ARG A 47 -19.102 -4.374 8.301 1.00 0.00 C ATOM 757 CD ARG A 47 -20.565 -3.967 8.300 1.00 0.00 C ATOM 758 NE ARG A 47 -21.240 -4.357 9.536 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.537 -4.170 9.758 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.300 -3.610 8.828 1.00 0.00 N ATOM 761 NH2 ARG A 47 -23.074 -4.549 10.910 1.00 0.00 N ATOM 0 H ARG A 47 -17.117 -5.198 7.007 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.146 -5.886 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.318 -6.390 7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.558 -6.190 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.576 -3.844 9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.640 -4.078 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.641 -2.888 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.069 -4.427 7.450 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.685 -4.797 10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.892 -3.321 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.295 -3.468 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.492 -4.984 11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.069 -4.405 11.080 1.00 0.00 H new ATOM 775 N ASP A 48 -17.565 -8.518 7.737 1.00 0.00 N ATOM 776 CA ASP A 48 -17.516 -9.977 7.737 1.00 0.00 C ATOM 777 C ASP A 48 -16.077 -10.482 7.793 1.00 0.00 C ATOM 778 O ASP A 48 -15.822 -11.626 8.172 1.00 0.00 O ATOM 779 CB ASP A 48 -18.222 -10.530 6.499 1.00 0.00 C ATOM 780 CG ASP A 48 -17.809 -9.808 5.234 1.00 0.00 C ATOM 781 OD1 ASP A 48 -16.605 -9.823 4.912 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.690 -9.221 4.571 1.00 0.00 O ATOM 0 H ASP A 48 -17.719 -8.098 6.820 1.00 0.00 H new ATOM 0 HA ASP A 48 -18.032 -10.331 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.997 -11.592 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -19.301 -10.443 6.629 1.00 0.00 H new ATOM 787 N GLY A 49 -15.141 -9.616 7.415 1.00 0.00 N ATOM 788 CA GLY A 49 -13.734 -9.972 7.440 1.00 0.00 C ATOM 789 C GLY A 49 -13.389 -11.148 6.543 1.00 0.00 C ATOM 790 O GLY A 49 -12.466 -11.907 6.843 1.00 0.00 O ATOM 0 H GLY A 49 -15.334 -8.669 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.144 -9.108 7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.446 -10.210 8.464 1.00 0.00 H new ATOM 794 N ASN A 50 -14.119 -11.305 5.441 1.00 0.00 N ATOM 795 CA ASN A 50 -13.859 -12.401 4.513 1.00 0.00 C ATOM 796 C ASN A 50 -12.620 -12.114 3.669 1.00 0.00 C ATOM 797 O ASN A 50 -12.221 -12.926 2.835 1.00 0.00 O ATOM 798 CB ASN A 50 -15.066 -12.653 3.603 1.00 0.00 C ATOM 799 CG ASN A 50 -15.549 -11.398 2.901 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.780 -10.468 2.662 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.834 -11.366 2.565 1.00 0.00 N ATOM 0 H ASN A 50 -14.889 -10.693 5.171 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.680 -13.299 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.802 -13.402 2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.881 -13.068 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.217 -10.548 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -17.438 -12.159 2.782 1.00 0.00 H new ATOM 808 N GLY A 51 -12.015 -10.950 3.895 1.00 0.00 N ATOM 809 CA GLY A 51 -10.825 -10.572 3.153 1.00 0.00 C ATOM 810 C GLY A 51 -11.137 -9.653 1.989 1.00 0.00 C ATOM 811 O GLY A 51 -10.239 -9.246 1.250 1.00 0.00 O ATOM 0 H GLY A 51 -12.329 -10.262 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.123 -10.078 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.332 -11.470 2.781 1.00 0.00 H new ATOM 815 N PHE A 52 -12.415 -9.325 1.829 1.00 0.00 N ATOM 816 CA PHE A 52 -12.856 -8.449 0.749 1.00 0.00 C ATOM 817 C PHE A 52 -13.804 -7.382 1.286 1.00 0.00 C ATOM 818 O PHE A 52 -14.460 -7.582 2.309 1.00 0.00 O ATOM 819 CB PHE A 52 -13.555 -9.260 -0.345 1.00 0.00 C ATOM 820 CG PHE A 52 -12.931 -10.605 -0.591 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.807 -10.728 -1.392 1.00 0.00 C ATOM 822 CD2 PHE A 52 -13.470 -11.745 -0.018 1.00 0.00 C ATOM 823 CE1 PHE A 52 -11.232 -11.965 -1.617 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.902 -12.984 -0.239 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.780 -13.095 -1.040 1.00 0.00 C ATOM 0 H PHE A 52 -13.166 -9.654 2.436 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.979 -7.962 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.601 -9.399 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.543 -8.688 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.375 -9.848 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.345 -11.664 0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.356 -12.048 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.333 -13.865 0.213 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.333 -14.063 -1.214 1.00 0.00 H new ATOM 835 N ILE A 53 -13.875 -6.251 0.593 1.00 0.00 N ATOM 836 CA ILE A 53 -14.745 -5.156 1.009 1.00 0.00 C ATOM 837 C ILE A 53 -15.826 -4.884 -0.033 1.00 0.00 C ATOM 838 O ILE A 53 -15.574 -4.246 -1.055 1.00 0.00 O ATOM 839 CB ILE A 53 -13.936 -3.866 1.257 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.899 -4.099 2.356 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.861 -2.717 1.634 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.689 -3.202 2.240 1.00 0.00 C ATOM 0 H ILE A 53 -13.342 -6.068 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.221 -5.461 1.941 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.418 -3.599 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.368 -3.940 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.575 -5.139 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.271 -1.816 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.569 -2.539 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.406 -2.972 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.995 -3.421 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.196 -3.377 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.002 -2.160 2.301 1.00 0.00 H new ATOM 854 N SER A 54 -17.033 -5.376 0.237 1.00 0.00 N ATOM 855 CA SER A 54 -18.158 -5.186 -0.672 1.00 0.00 C ATOM 856 C SER A 54 -18.553 -3.713 -0.745 1.00 0.00 C ATOM 857 O SER A 54 -17.934 -2.865 -0.105 1.00 0.00 O ATOM 858 CB SER A 54 -19.352 -6.030 -0.219 1.00 0.00 C ATOM 859 OG SER A 54 -20.428 -5.930 -1.137 1.00 0.00 O ATOM 0 H SER A 54 -17.256 -5.909 1.078 1.00 0.00 H new ATOM 0 HA SER A 54 -17.852 -5.509 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.048 -7.072 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.680 -5.701 0.767 1.00 0.00 H new ATOM 0 HG SER A 54 -21.177 -6.480 -0.825 1.00 0.00 H new ATOM 865 N LYS A 55 -19.586 -3.412 -1.527 1.00 0.00 N ATOM 866 CA LYS A 55 -20.049 -2.038 -1.683 1.00 0.00 C ATOM 867 C LYS A 55 -20.557 -1.472 -0.358 1.00 0.00 C ATOM 868 O LYS A 55 -20.197 -0.361 0.032 1.00 0.00 O ATOM 869 CB LYS A 55 -21.162 -1.965 -2.733 1.00 0.00 C ATOM 870 CG LYS A 55 -20.754 -2.474 -4.108 1.00 0.00 C ATOM 871 CD LYS A 55 -20.992 -3.971 -4.254 1.00 0.00 C ATOM 872 CE LYS A 55 -22.476 -4.298 -4.312 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.715 -5.745 -4.570 1.00 0.00 N ATOM 0 H LYS A 55 -20.117 -4.100 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.201 -1.439 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.016 -2.544 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.494 -0.931 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.317 -1.941 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.700 -2.256 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.504 -4.331 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.535 -4.496 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.948 -4.014 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.948 -3.706 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.738 -5.927 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.287 -6.011 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.287 -6.309 -3.808 1.00 0.00 H new ATOM 887 N GLN A 56 -21.392 -2.246 0.328 1.00 0.00 N ATOM 888 CA GLN A 56 -21.968 -1.820 1.600 1.00 0.00 C ATOM 889 C GLN A 56 -20.887 -1.521 2.638 1.00 0.00 C ATOM 890 O GLN A 56 -20.990 -0.550 3.388 1.00 0.00 O ATOM 891 CB GLN A 56 -22.915 -2.895 2.141 1.00 0.00 C ATOM 892 CG GLN A 56 -23.822 -3.506 1.084 1.00 0.00 C ATOM 893 CD GLN A 56 -24.582 -2.464 0.287 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.114 -1.999 -0.752 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.762 -2.091 0.768 1.00 0.00 N ATOM 0 H GLN A 56 -21.686 -3.174 0.024 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.525 -0.901 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.324 -3.687 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.532 -2.460 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.223 -4.111 0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.533 -4.177 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.113 -2.502 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.317 -1.394 0.272 1.00 0.00 H new ATOM 904 N GLU A 57 -19.853 -2.356 2.675 1.00 0.00 N ATOM 905 CA GLU A 57 -18.765 -2.182 3.635 1.00 0.00 C ATOM 906 C GLU A 57 -17.940 -0.936 3.323 1.00 0.00 C ATOM 907 O GLU A 57 -17.671 -0.120 4.209 1.00 0.00 O ATOM 908 CB GLU A 57 -17.868 -3.419 3.645 1.00 0.00 C ATOM 909 CG GLU A 57 -18.614 -4.703 3.975 1.00 0.00 C ATOM 910 CD GLU A 57 -17.705 -5.915 4.004 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.966 -6.123 3.021 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.732 -6.654 5.010 1.00 0.00 O ATOM 0 H GLU A 57 -19.744 -3.158 2.054 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.207 -2.052 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.394 -3.523 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.070 -3.274 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.102 -4.596 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.401 -4.861 3.237 1.00 0.00 H new ATOM 919 N LEU A 58 -17.536 -0.789 2.065 1.00 0.00 N ATOM 920 CA LEU A 58 -16.745 0.366 1.658 1.00 0.00 C ATOM 921 C LEU A 58 -17.544 1.649 1.857 1.00 0.00 C ATOM 922 O LEU A 58 -16.982 2.741 1.925 1.00 0.00 O ATOM 923 CB LEU A 58 -16.312 0.247 0.196 1.00 0.00 C ATOM 924 CG LEU A 58 -15.211 1.222 -0.227 1.00 0.00 C ATOM 925 CD1 LEU A 58 -13.932 0.471 -0.560 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.664 2.064 -1.412 1.00 0.00 C ATOM 0 H LEU A 58 -17.741 -1.450 1.316 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.851 0.398 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.966 -0.771 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.183 0.405 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.008 1.892 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.161 1.181 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.596 -0.082 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.121 -0.225 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.867 2.750 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.899 1.412 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.551 2.633 -1.136 1.00 0.00 H new ATOM 938 N GLY A 59 -18.864 1.502 1.950 1.00 0.00 N ATOM 939 CA GLY A 59 -19.727 2.652 2.148 1.00 0.00 C ATOM 940 C GLY A 59 -19.510 3.286 3.504 1.00 0.00 C ATOM 941 O GLY A 59 -19.785 4.470 3.699 1.00 0.00 O ATOM 0 H GLY A 59 -19.350 0.607 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.537 3.388 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.769 2.346 2.051 1.00 0.00 H new ATOM 945 N THR A 60 -19.013 2.488 4.444 1.00 0.00 N ATOM 946 CA THR A 60 -18.739 2.965 5.791 1.00 0.00 C ATOM 947 C THR A 60 -17.333 3.546 5.863 1.00 0.00 C ATOM 948 O THR A 60 -17.009 4.325 6.760 1.00 0.00 O ATOM 949 CB THR A 60 -18.882 1.832 6.827 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.171 1.220 6.706 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.703 2.360 8.244 1.00 0.00 C ATOM 0 H THR A 60 -18.792 1.504 4.294 1.00 0.00 H new ATOM 0 HA THR A 60 -19.469 3.740 6.026 1.00 0.00 H new ATOM 0 HB THR A 60 -18.104 1.094 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.255 0.500 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.809 1.540 8.954 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.712 2.802 8.345 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.460 3.117 8.449 1.00 0.00 H new ATOM 959 N ALA A 61 -16.496 3.152 4.908 1.00 0.00 N ATOM 960 CA ALA A 61 -15.125 3.638 4.842 1.00 0.00 C ATOM 961 C ALA A 61 -15.078 5.089 4.373 1.00 0.00 C ATOM 962 O ALA A 61 -14.286 5.889 4.874 1.00 0.00 O ATOM 963 CB ALA A 61 -14.302 2.759 3.912 1.00 0.00 C ATOM 0 H ALA A 61 -16.746 2.496 4.168 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.700 3.593 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.279 3.132 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.300 1.735 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.737 2.780 2.913 1.00 0.00 H new ATOM 969 N MET A 62 -15.933 5.424 3.411 1.00 0.00 N ATOM 970 CA MET A 62 -15.989 6.777 2.866 1.00 0.00 C ATOM 971 C MET A 62 -16.552 7.768 3.882 1.00 0.00 C ATOM 972 O MET A 62 -15.981 8.837 4.096 1.00 0.00 O ATOM 973 CB MET A 62 -16.837 6.798 1.591 1.00 0.00 C ATOM 974 CG MET A 62 -16.250 5.975 0.455 1.00 0.00 C ATOM 975 SD MET A 62 -14.695 6.651 -0.161 1.00 0.00 S ATOM 976 CE MET A 62 -15.247 8.221 -0.825 1.00 0.00 C ATOM 0 H MET A 62 -16.599 4.775 2.992 1.00 0.00 H new ATOM 0 HA MET A 62 -14.970 7.082 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.834 6.424 1.822 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.953 7.830 1.259 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.087 4.953 0.798 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.969 5.926 -0.362 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.520 8.585 -1.551 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.213 8.090 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.344 8.945 -0.016 1.00 0.00 H new ATOM 986 N ARG A 63 -17.675 7.409 4.502 1.00 0.00 N ATOM 987 CA ARG A 63 -18.313 8.277 5.490 1.00 0.00 C ATOM 988 C ARG A 63 -17.330 8.671 6.590 1.00 0.00 C ATOM 989 O ARG A 63 -17.413 9.769 7.143 1.00 0.00 O ATOM 990 CB ARG A 63 -19.530 7.586 6.105 1.00 0.00 C ATOM 991 CG ARG A 63 -19.186 6.328 6.883 1.00 0.00 C ATOM 992 CD ARG A 63 -20.398 5.771 7.613 1.00 0.00 C ATOM 993 NE ARG A 63 -21.476 5.415 6.694 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.421 4.523 6.978 1.00 0.00 C ATOM 995 NH1 ARG A 63 -22.409 3.883 8.139 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.378 4.269 6.096 1.00 0.00 N ATOM 0 H ARG A 63 -18.160 6.527 4.339 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.639 9.182 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.038 8.286 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.233 7.332 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.793 5.574 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.397 6.549 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -20.104 4.891 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.761 6.509 8.328 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.506 5.876 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.673 4.074 8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.136 3.200 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.389 4.757 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.103 3.585 6.313 1.00 0.00 H new ATOM 1010 N SER A 64 -16.406 7.770 6.905 1.00 0.00 N ATOM 1011 CA SER A 64 -15.408 8.028 7.936 1.00 0.00 C ATOM 1012 C SER A 64 -14.616 9.293 7.617 1.00 0.00 C ATOM 1013 O SER A 64 -14.333 10.100 8.503 1.00 0.00 O ATOM 1014 CB SER A 64 -14.460 6.836 8.070 1.00 0.00 C ATOM 1015 OG SER A 64 -13.498 7.060 9.086 1.00 0.00 O ATOM 0 H SER A 64 -16.327 6.855 6.461 1.00 0.00 H new ATOM 0 HA SER A 64 -15.927 8.174 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.032 5.937 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.956 6.660 7.120 1.00 0.00 H new ATOM 0 HG SER A 64 -12.905 6.282 9.152 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.261 9.458 6.346 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.504 10.626 5.911 1.00 0.00 C ATOM 1023 C LEU A 65 -14.409 11.852 5.824 1.00 0.00 C ATOM 1024 O LEU A 65 -13.933 12.988 5.817 1.00 0.00 O ATOM 1025 CB LEU A 65 -12.854 10.363 4.550 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.211 8.983 4.388 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.647 8.822 2.986 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.121 8.771 5.429 1.00 0.00 C ATOM 0 H LEU A 65 -14.485 8.799 5.601 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.723 10.819 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.610 10.487 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.092 11.123 4.377 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.981 8.226 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.193 7.836 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.450 8.927 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.892 9.588 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.678 7.784 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.351 9.534 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.552 8.843 6.427 1.00 0.00 H new ATOM 1040 N GLY A 66 -15.716 11.612 5.762 1.00 0.00 N ATOM 1041 CA GLY A 66 -16.670 12.702 5.674 1.00 0.00 C ATOM 1042 C GLY A 66 -17.471 12.668 4.387 1.00 0.00 C ATOM 1043 O GLY A 66 -17.970 13.697 3.930 1.00 0.00 O ATOM 0 H GLY A 66 -16.131 10.680 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.351 12.654 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.140 13.652 5.743 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.596 11.481 3.804 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.344 11.308 2.564 1.00 0.00 C ATOM 1049 C TYR A 67 -19.296 10.120 2.672 1.00 0.00 C ATOM 1050 O TYR A 67 -18.886 8.971 2.521 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.385 11.100 1.390 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.398 12.230 1.202 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.770 13.405 0.557 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.093 12.121 1.666 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.868 14.437 0.381 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.186 13.150 1.493 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.579 14.305 0.850 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.678 15.330 0.675 1.00 0.00 O ATOM 0 H TYR A 67 -17.188 10.622 4.172 1.00 0.00 H new ATOM 0 HA TYR A 67 -18.929 12.211 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.835 10.171 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -17.966 10.981 0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.779 13.512 0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.782 11.218 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.172 15.343 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.175 13.050 1.859 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.815 15.077 1.064 1.00 0.00 H new ATOM 1068 N MET A 68 -20.568 10.408 2.934 1.00 0.00 N ATOM 1069 CA MET A 68 -21.577 9.363 3.070 1.00 0.00 C ATOM 1070 C MET A 68 -22.216 9.029 1.718 1.00 0.00 C ATOM 1071 O MET A 68 -22.972 9.831 1.171 1.00 0.00 O ATOM 1072 CB MET A 68 -22.656 9.806 4.060 1.00 0.00 C ATOM 1073 CG MET A 68 -22.112 10.118 5.445 1.00 0.00 C ATOM 1074 SD MET A 68 -23.397 10.639 6.598 1.00 0.00 S ATOM 1075 CE MET A 68 -22.435 10.888 8.089 1.00 0.00 C ATOM 0 H MET A 68 -20.924 11.356 3.056 1.00 0.00 H new ATOM 0 HA MET A 68 -21.086 8.465 3.444 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.158 10.690 3.667 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.408 9.022 4.141 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.611 9.235 5.841 1.00 0.00 H new ATOM 0 HG3 MET A 68 -21.360 10.903 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.092 11.213 8.896 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.951 9.953 8.370 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.676 11.650 7.909 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.919 7.837 1.158 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.472 7.410 -0.127 1.00 0.00 C ATOM 1087 C PRO A 69 -23.853 6.780 0.018 1.00 0.00 C ATOM 1088 O PRO A 69 -24.144 6.126 1.020 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.459 6.370 -0.596 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.953 5.747 0.661 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.019 6.813 1.729 1.00 0.00 C ATOM 0 HA PRO A 69 -22.613 8.242 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.923 5.629 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.651 6.831 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.559 4.884 0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.931 5.390 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.410 6.416 2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.033 7.224 1.944 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.701 6.980 -0.986 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.051 6.424 -0.965 1.00 0.00 C ATOM 1101 C ASN A 70 -26.045 4.980 -1.453 1.00 0.00 C ATOM 1102 O ASN A 70 -25.008 4.465 -1.867 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.993 7.261 -1.833 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.081 8.703 -1.370 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.227 9.554 -1.925 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -27.909 9.047 -0.527 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.479 7.521 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.408 6.446 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.649 7.235 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.988 6.816 -1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -28.546 8.358 -0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -27.958 10.021 -0.228 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.204 4.331 -1.405 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.321 2.943 -1.842 1.00 0.00 C ATOM 1115 C GLU A 71 -26.843 2.775 -3.284 1.00 0.00 C ATOM 1116 O GLU A 71 -26.277 1.742 -3.644 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.770 2.467 -1.723 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.759 3.326 -2.495 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.977 2.548 -2.950 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.943 2.442 -2.166 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -30.965 2.043 -4.092 1.00 0.00 O ATOM 0 H GLU A 71 -28.075 4.743 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.687 2.337 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.837 1.440 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.055 2.456 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -30.078 4.159 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.261 3.754 -3.365 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.073 3.798 -4.101 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.686 3.768 -5.498 1.00 0.00 C ATOM 1130 C VAL A 72 -25.260 4.273 -5.698 1.00 0.00 C ATOM 1131 O VAL A 72 -24.603 3.923 -6.679 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.642 4.625 -6.344 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -28.714 3.759 -6.988 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.275 5.726 -5.504 1.00 0.00 C ATOM 0 H VAL A 72 -27.530 4.663 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.738 2.728 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.060 5.096 -7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -29.380 4.385 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.243 3.017 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -29.288 3.254 -6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.947 6.318 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.838 5.280 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.494 6.370 -5.100 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.789 5.096 -4.768 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.444 5.654 -4.855 1.00 0.00 C ATOM 1146 C GLU A 73 -22.383 4.599 -4.556 1.00 0.00 C ATOM 1147 O GLU A 73 -21.451 4.409 -5.336 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.294 6.830 -3.890 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.231 7.989 -4.191 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.052 8.534 -5.595 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.150 9.376 -5.795 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -24.814 8.120 -6.494 1.00 0.00 O ATOM 0 H GLU A 73 -25.317 5.391 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.296 6.005 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.477 6.481 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.265 7.188 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.262 7.661 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.058 8.788 -3.470 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.531 3.912 -3.428 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.577 2.883 -3.024 1.00 0.00 C ATOM 1161 C LEU A 74 -21.387 1.826 -4.113 1.00 0.00 C ATOM 1162 O LEU A 74 -20.444 1.037 -4.060 1.00 0.00 O ATOM 1163 CB LEU A 74 -22.025 2.225 -1.716 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.491 1.786 -1.667 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.692 0.478 -2.414 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.957 1.654 -0.225 1.00 0.00 C ATOM 0 H LEU A 74 -23.303 4.049 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.615 3.370 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.397 1.353 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.845 2.923 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.092 2.551 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.742 0.188 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.400 0.606 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.079 -0.299 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -25.001 1.341 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.347 0.911 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.858 2.615 0.279 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.282 1.814 -5.097 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.202 0.849 -6.188 1.00 0.00 C ATOM 1180 C GLU A 75 -21.305 1.359 -7.315 1.00 0.00 C ATOM 1181 O GLU A 75 -20.544 0.592 -7.906 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.598 0.547 -6.736 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.522 -0.111 -5.725 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.879 -0.452 -6.311 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.777 0.415 -6.270 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.042 -1.586 -6.808 1.00 0.00 O ATOM 0 H GLU A 75 -23.069 2.460 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.766 -0.067 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.053 1.476 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.504 -0.103 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.054 -1.021 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.655 0.555 -4.873 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.394 2.655 -7.606 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.593 3.252 -8.672 1.00 0.00 C ATOM 1195 C VAL A 76 -19.194 3.628 -8.185 1.00 0.00 C ATOM 1196 O VAL A 76 -18.243 3.642 -8.965 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.277 4.498 -9.270 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.619 4.130 -9.882 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.446 5.579 -8.216 1.00 0.00 C ATOM 0 H VAL A 76 -22.009 3.309 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.503 2.493 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.637 4.892 -10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -23.086 5.023 -10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.469 3.396 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.266 3.707 -9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.931 6.448 -8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -22.061 5.199 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.468 5.867 -7.830 1.00 0.00 H new ATOM 1209 N ILE A 77 -19.073 3.936 -6.896 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.782 4.301 -6.321 1.00 0.00 C ATOM 1211 C ILE A 77 -16.856 3.086 -6.259 1.00 0.00 C ATOM 1212 O ILE A 77 -15.636 3.215 -6.362 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.943 4.910 -4.902 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.226 6.414 -4.993 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.707 4.659 -4.047 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.656 6.748 -5.355 1.00 0.00 C ATOM 0 H ILE A 77 -19.849 3.940 -6.234 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.339 5.056 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.790 4.418 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.986 6.877 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.561 6.855 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.852 5.098 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -16.546 3.586 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.838 5.114 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.777 7.830 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.896 6.316 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -20.327 6.339 -4.600 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.449 1.906 -6.103 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.684 0.667 -6.021 1.00 0.00 C ATOM 1230 C ILE A 78 -16.015 0.322 -7.351 1.00 0.00 C ATOM 1231 O ILE A 78 -14.803 0.122 -7.402 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.574 -0.512 -5.563 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.724 -0.496 -4.038 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.010 -1.848 -6.036 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.445 -0.818 -3.292 1.00 0.00 C ATOM 0 H ILE A 78 -18.459 1.782 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.903 0.830 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.559 -0.392 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.076 0.488 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.491 -1.215 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.658 -2.657 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.958 -1.856 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.011 -1.988 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.632 -0.787 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.102 -1.814 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.680 -0.085 -3.548 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.802 0.251 -8.423 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.275 -0.083 -9.745 1.00 0.00 C ATOM 1249 C GLN A 79 -15.168 0.873 -10.190 1.00 0.00 C ATOM 1250 O GLN A 79 -14.514 0.636 -11.205 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.403 -0.087 -10.779 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.105 1.254 -10.922 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.246 1.209 -11.921 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.880 0.172 -12.110 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -19.512 2.340 -12.564 1.00 0.00 N ATOM 0 H GLN A 79 -17.808 0.420 -8.402 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.838 -1.079 -9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.996 -0.379 -11.747 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.137 -0.843 -10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.489 1.565 -9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.382 2.007 -11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.959 3.176 -12.375 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.269 2.372 -13.247 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.958 1.952 -9.439 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.925 2.923 -9.786 1.00 0.00 C ATOM 1266 C ARG A 80 -12.542 2.297 -9.654 1.00 0.00 C ATOM 1267 O ARG A 80 -11.653 2.548 -10.468 1.00 0.00 O ATOM 1268 CB ARG A 80 -14.027 4.160 -8.890 1.00 0.00 C ATOM 1269 CG ARG A 80 -15.303 4.963 -9.092 1.00 0.00 C ATOM 1270 CD ARG A 80 -15.217 5.863 -10.316 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.125 5.101 -11.558 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.945 5.656 -12.753 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -14.843 6.973 -12.866 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -14.866 4.894 -13.836 1.00 0.00 N ATOM 0 H ARG A 80 -15.484 2.174 -8.594 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.077 3.228 -10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.967 3.847 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.169 4.805 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.147 4.282 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.494 5.570 -8.207 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.095 6.508 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.347 6.513 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.203 4.085 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.903 7.562 -12.036 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.705 7.397 -13.783 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.943 3.880 -13.753 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.728 5.322 -14.752 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.371 1.481 -8.620 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.101 0.806 -8.370 1.00 0.00 C ATOM 1290 C LEU A 81 -11.247 -0.704 -8.535 1.00 0.00 C ATOM 1291 O LEU A 81 -10.274 -1.406 -8.810 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.585 1.137 -6.966 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.664 1.296 -5.890 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.096 0.975 -4.517 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -12.232 2.708 -5.907 1.00 0.00 C ATOM 0 H LEU A 81 -13.099 1.270 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.378 1.164 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.899 0.350 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.008 2.061 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.470 0.595 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.875 1.093 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.732 -0.052 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.273 1.654 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.997 2.802 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.433 3.424 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.674 2.911 -6.883 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.472 -1.195 -8.365 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.757 -2.620 -8.496 1.00 0.00 C ATOM 1309 C ASP A 82 -12.672 -3.058 -9.955 1.00 0.00 C ATOM 1310 O ASP A 82 -13.663 -3.028 -10.684 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.146 -2.932 -7.933 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.487 -4.407 -8.012 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.655 -5.232 -7.582 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.589 -4.735 -8.497 1.00 0.00 O ATOM 0 H ASP A 82 -13.285 -0.624 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.009 -3.173 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.195 -2.606 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.894 -2.360 -8.482 1.00 0.00 H new ATOM 1319 N MET A 83 -11.476 -3.464 -10.372 1.00 0.00 N ATOM 1320 CA MET A 83 -11.248 -3.902 -11.744 1.00 0.00 C ATOM 1321 C MET A 83 -11.787 -5.312 -11.977 1.00 0.00 C ATOM 1322 O MET A 83 -12.230 -5.641 -13.078 1.00 0.00 O ATOM 1323 CB MET A 83 -9.754 -3.856 -12.068 1.00 0.00 C ATOM 1324 CG MET A 83 -9.085 -2.550 -11.666 1.00 0.00 C ATOM 1325 SD MET A 83 -9.924 -1.100 -12.335 1.00 0.00 S ATOM 1326 CE MET A 83 -9.809 -1.415 -14.094 1.00 0.00 C ATOM 0 H MET A 83 -10.648 -3.498 -9.777 1.00 0.00 H new ATOM 0 HA MET A 83 -11.785 -3.222 -12.406 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.255 -4.682 -11.561 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.618 -4.010 -13.138 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.059 -2.480 -10.579 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.051 -2.556 -12.009 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.071 -0.511 -14.643 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.790 -1.709 -14.345 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.496 -2.217 -14.366 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.751 -6.140 -10.938 1.00 0.00 N ATOM 1337 CA ASP A 84 -12.232 -7.515 -11.041 1.00 0.00 C ATOM 1338 C ASP A 84 -13.745 -7.560 -11.236 1.00 0.00 C ATOM 1339 O ASP A 84 -14.288 -8.548 -11.730 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.841 -8.312 -9.796 1.00 0.00 C ATOM 1341 CG ASP A 84 -10.338 -8.450 -9.648 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -9.774 -9.421 -10.196 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -9.725 -7.588 -8.984 1.00 0.00 O ATOM 0 H ASP A 84 -11.395 -5.885 -10.017 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.763 -7.966 -11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.247 -7.822 -8.911 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.291 -9.303 -9.846 1.00 0.00 H new ATOM 1348 N GLY A 85 -14.419 -6.481 -10.848 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.862 -6.409 -10.994 1.00 0.00 C ATOM 1350 C GLY A 85 -16.586 -7.509 -10.245 1.00 0.00 C ATOM 1351 O GLY A 85 -17.706 -7.876 -10.604 1.00 0.00 O ATOM 0 H GLY A 85 -13.990 -5.653 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.211 -5.441 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.118 -6.467 -12.052 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.954 -8.035 -9.201 1.00 0.00 N ATOM 1356 CA ASP A 86 -16.551 -9.102 -8.404 1.00 0.00 C ATOM 1357 C ASP A 86 -17.416 -8.528 -7.286 1.00 0.00 C ATOM 1358 O ASP A 86 -17.887 -9.261 -6.417 1.00 0.00 O ATOM 1359 CB ASP A 86 -15.463 -10.002 -7.813 1.00 0.00 C ATOM 1360 CG ASP A 86 -14.586 -9.274 -6.814 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.606 -8.630 -7.242 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.879 -9.350 -5.603 1.00 0.00 O ATOM 0 H ASP A 86 -15.029 -7.741 -8.887 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.185 -9.698 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.929 -10.858 -7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.842 -10.393 -8.619 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.619 -7.214 -7.316 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.428 -6.565 -6.301 1.00 0.00 C ATOM 1369 C GLY A 87 -17.635 -6.210 -5.059 1.00 0.00 C ATOM 1370 O GLY A 87 -18.109 -5.459 -4.206 1.00 0.00 O ATOM 0 H GLY A 87 -17.238 -6.588 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.868 -5.659 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.253 -7.222 -6.025 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.426 -6.752 -4.955 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.565 -6.488 -3.808 1.00 0.00 C ATOM 1376 C GLN A 88 -14.154 -6.126 -4.260 1.00 0.00 C ATOM 1377 O GLN A 88 -13.638 -6.687 -5.229 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.526 -7.708 -2.886 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.902 -8.173 -2.439 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.841 -9.367 -1.507 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.781 -9.214 -0.287 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.854 -10.565 -2.078 1.00 0.00 N ATOM 0 H GLN A 88 -16.020 -7.377 -5.652 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.977 -5.641 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -15.024 -8.527 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.928 -7.470 -2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.414 -7.351 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.496 -8.431 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.905 -10.645 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.813 -11.405 -1.501 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.533 -5.185 -3.555 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.182 -4.746 -3.889 1.00 0.00 C ATOM 1393 C VAL A 89 -11.139 -5.498 -3.069 1.00 0.00 C ATOM 1394 O VAL A 89 -11.245 -5.593 -1.846 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.008 -3.232 -3.655 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.624 -2.778 -4.093 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.089 -2.452 -4.389 1.00 0.00 C ATOM 0 H VAL A 89 -13.943 -4.712 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.033 -4.963 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.108 -3.034 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.521 -1.707 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.867 -3.313 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.491 -2.988 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.951 -1.385 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.022 -2.655 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.069 -2.756 -4.023 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.132 -6.030 -3.755 1.00 0.00 N ATOM 1408 CA ASP A 90 -9.064 -6.771 -3.095 1.00 0.00 C ATOM 1409 C ASP A 90 -7.961 -5.830 -2.622 1.00 0.00 C ATOM 1410 O ASP A 90 -7.733 -4.779 -3.223 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.483 -7.824 -4.040 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.425 -8.680 -3.373 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -6.247 -8.264 -3.354 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -7.774 -9.767 -2.865 1.00 0.00 O ATOM 0 H ASP A 90 -10.034 -5.961 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.488 -7.271 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.287 -8.464 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.050 -7.329 -4.909 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.289 -6.209 -1.537 1.00 0.00 N ATOM 1420 CA PHE A 91 -6.209 -5.403 -0.969 1.00 0.00 C ATOM 1421 C PHE A 91 -5.279 -4.850 -2.049 1.00 0.00 C ATOM 1422 O PHE A 91 -5.140 -3.637 -2.186 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.405 -6.233 0.036 1.00 0.00 C ATOM 1424 CG PHE A 91 -4.218 -5.509 0.611 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.387 -4.352 1.355 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.934 -5.988 0.406 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -3.297 -3.688 1.885 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.842 -5.329 0.934 1.00 0.00 C ATOM 1429 CZ PHE A 91 -2.022 -4.177 1.675 1.00 0.00 C ATOM 0 H PHE A 91 -7.475 -7.075 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.667 -4.555 -0.460 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.063 -6.537 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.061 -7.144 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.381 -3.965 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.786 -6.887 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.442 -2.787 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.847 -5.714 0.768 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.169 -3.660 2.089 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.650 -5.745 -2.808 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.723 -5.356 -3.872 1.00 0.00 C ATOM 1441 C GLU A 92 -4.249 -4.177 -4.693 1.00 0.00 C ATOM 1442 O GLU A 92 -3.524 -3.219 -4.952 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.455 -6.545 -4.796 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.747 -7.702 -4.112 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.497 -8.869 -5.048 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.480 -8.842 -5.771 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.320 -9.808 -5.060 1.00 0.00 O ATOM 0 H GLU A 92 -4.766 -6.753 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.796 -5.041 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.403 -6.899 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.852 -6.209 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.796 -7.354 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.346 -8.041 -3.267 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.505 -4.259 -5.111 1.00 0.00 N ATOM 1455 CA GLU A 93 -6.114 -3.198 -5.906 1.00 0.00 C ATOM 1456 C GLU A 93 -5.991 -1.836 -5.222 1.00 0.00 C ATOM 1457 O GLU A 93 -5.681 -0.833 -5.868 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.586 -3.520 -6.172 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.788 -4.727 -7.075 1.00 0.00 C ATOM 1460 CD GLU A 93 -9.239 -5.160 -7.159 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -10.043 -4.428 -7.773 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.567 -6.235 -6.615 1.00 0.00 O ATOM 0 H GLU A 93 -6.122 -5.047 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.577 -3.144 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.088 -3.699 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.064 -2.652 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.425 -4.492 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.186 -5.557 -6.705 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.222 -1.804 -3.913 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.150 -0.558 -3.156 1.00 0.00 C ATOM 1471 C PHE A 94 -4.708 -0.173 -2.818 1.00 0.00 C ATOM 1472 O PHE A 94 -4.333 0.994 -2.927 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.969 -0.674 -1.870 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.907 0.555 -1.007 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.530 1.727 -1.402 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.219 0.538 0.195 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.470 2.859 -0.613 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.154 1.667 0.988 1.00 0.00 C ATOM 1479 CZ PHE A 94 -6.781 2.829 0.584 1.00 0.00 C ATOM 0 H PHE A 94 -6.460 -2.624 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.565 0.229 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.009 -0.875 -2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.611 -1.529 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.069 1.756 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.728 -0.369 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.961 3.767 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.614 1.641 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.733 3.713 1.203 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.906 -1.155 -2.413 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.512 -0.909 -2.045 1.00 0.00 C ATOM 1491 C VAL A 95 -1.753 -0.200 -3.165 1.00 0.00 C ATOM 1492 O VAL A 95 -0.750 0.470 -2.918 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.785 -2.222 -1.675 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.234 -2.919 -2.911 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.674 -1.955 -0.671 1.00 0.00 C ATOM 0 H VAL A 95 -4.197 -2.129 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.529 -0.259 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.515 -2.888 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.729 -3.839 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.053 -3.157 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.525 -2.261 -3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.175 -2.892 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.048 -1.262 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.098 -1.520 0.234 1.00 0.00 H new ATOM 1505 N THR A 96 -2.235 -0.352 -4.397 1.00 0.00 N ATOM 1506 CA THR A 96 -1.601 0.277 -5.549 1.00 0.00 C ATOM 1507 C THR A 96 -2.082 1.714 -5.723 1.00 0.00 C ATOM 1508 O THR A 96 -1.305 2.598 -6.088 1.00 0.00 O ATOM 1509 CB THR A 96 -1.884 -0.508 -6.844 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.446 -1.864 -6.699 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.183 0.130 -8.034 1.00 0.00 C ATOM 0 H THR A 96 -3.062 -0.905 -4.621 1.00 0.00 H new ATOM 0 HA THR A 96 -0.527 0.276 -5.360 1.00 0.00 H new ATOM 0 HB THR A 96 -2.959 -0.488 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.074 -2.351 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.400 -0.444 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.539 1.152 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.107 0.140 -7.860 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.369 1.937 -5.467 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.960 3.268 -5.594 1.00 0.00 C ATOM 1521 C LEU A 97 -3.128 4.317 -4.862 1.00 0.00 C ATOM 1522 O LEU A 97 -2.996 5.450 -5.327 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.391 3.270 -5.050 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.385 2.411 -5.833 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.727 2.370 -5.120 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.552 2.944 -7.249 1.00 0.00 C ATOM 0 H LEU A 97 -4.023 1.213 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.977 3.523 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.371 2.924 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.756 4.297 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.992 1.396 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.423 1.755 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.597 1.944 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.124 3.381 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.263 2.320 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.923 3.968 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.590 2.926 -7.760 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.565 3.937 -3.718 1.00 0.00 N ATOM 1539 CA LEU A 98 -1.749 4.855 -2.931 1.00 0.00 C ATOM 1540 C LEU A 98 -0.277 4.457 -2.976 1.00 0.00 C ATOM 1541 O LEU A 98 0.588 5.178 -2.479 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.238 4.910 -1.478 1.00 0.00 C ATOM 1543 CG LEU A 98 -1.820 3.735 -0.589 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -2.139 4.035 0.868 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -2.509 2.453 -1.029 1.00 0.00 C ATOM 0 H LEU A 98 -2.659 3.004 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.850 5.847 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.871 5.832 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.326 4.968 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.744 3.596 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.836 3.191 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.599 4.928 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.211 4.201 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.197 1.632 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.590 2.578 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.235 2.228 -2.060 1.00 0.00 H new