USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot 21:sc= 0.864 USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -0.803 F(o=-3.1,f=0.061) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= -0.15 (180deg=-0.892) USER MOD Single : A 50 ASN : amide:sc= -2.36 X(o=-2.4,f=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0323 K(o=-0.032,f=-0.66) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -106:sc= -1.8 (180deg=-3.15!) 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 -163:sc= -0.0786 (180deg=-0.447) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.68) USER MOD Single : A 83 MET CE :methyl 162:sc= -0.117 (180deg=-0.601) USER MOD Single : A 96 THR OG1 : rot 72:sc= 0.606 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 3.210 0.641 5.444 1.00 0.00 N ATOM 545 CA LEU A 35 2.220 -0.116 4.695 1.00 0.00 C ATOM 546 C LEU A 35 1.019 -0.441 5.575 1.00 0.00 C ATOM 547 O LEU A 35 -0.116 -0.507 5.099 1.00 0.00 O ATOM 548 CB LEU A 35 2.831 -1.409 4.154 1.00 0.00 C ATOM 549 CG LEU A 35 1.928 -2.211 3.217 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.947 -1.616 1.818 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.353 -3.671 3.187 1.00 0.00 C ATOM 0 HA LEU A 35 1.888 0.495 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.751 -1.164 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.108 -2.042 4.997 1.00 0.00 H new ATOM 0 HG LEU A 35 0.907 -2.160 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.298 -2.200 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.591 -0.586 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.965 -1.634 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.699 -4.227 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.382 -3.743 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.283 -4.091 4.190 1.00 0.00 H new ATOM 563 N GLU A 36 1.282 -0.648 6.863 1.00 0.00 N ATOM 564 CA GLU A 36 0.234 -0.967 7.825 1.00 0.00 C ATOM 565 C GLU A 36 -0.868 0.087 7.798 1.00 0.00 C ATOM 566 O GLU A 36 -2.047 -0.233 7.940 1.00 0.00 O ATOM 567 CB GLU A 36 0.823 -1.069 9.233 1.00 0.00 C ATOM 568 CG GLU A 36 -0.190 -1.476 10.292 1.00 0.00 C ATOM 569 CD GLU A 36 0.411 -1.526 11.683 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.036 -2.552 12.023 1.00 0.00 O ATOM 571 OE2 GLU A 36 0.256 -0.538 12.432 1.00 0.00 O ATOM 0 H GLU A 36 2.218 -0.600 7.265 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.200 -1.928 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.638 -1.793 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.255 -0.107 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.022 -0.771 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.599 -2.455 10.041 1.00 0.00 H new ATOM 578 N GLU A 37 -0.472 1.343 7.617 1.00 0.00 N ATOM 579 CA GLU A 37 -1.423 2.447 7.568 1.00 0.00 C ATOM 580 C GLU A 37 -2.485 2.186 6.505 1.00 0.00 C ATOM 581 O GLU A 37 -3.660 2.502 6.693 1.00 0.00 O ATOM 582 CB GLU A 37 -0.691 3.760 7.274 1.00 0.00 C ATOM 583 CG GLU A 37 -1.559 5.000 7.433 1.00 0.00 C ATOM 584 CD GLU A 37 -2.492 5.222 6.259 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.991 5.471 5.141 1.00 0.00 O ATOM 586 OE2 GLU A 37 -3.723 5.147 6.456 1.00 0.00 O ATOM 0 H GLU A 37 0.502 1.621 7.502 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.915 2.528 8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.168 3.842 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.303 3.728 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.147 4.911 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.918 5.873 7.551 1.00 0.00 H new ATOM 593 N ILE A 38 -2.060 1.600 5.391 1.00 0.00 N ATOM 594 CA ILE A 38 -2.967 1.287 4.294 1.00 0.00 C ATOM 595 C ILE A 38 -3.975 0.221 4.708 1.00 0.00 C ATOM 596 O ILE A 38 -5.189 0.427 4.627 1.00 0.00 O ATOM 597 CB ILE A 38 -2.189 0.785 3.060 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.146 1.820 2.631 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.145 0.482 1.916 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.249 1.346 1.508 1.00 0.00 C ATOM 0 H ILE A 38 -1.090 1.332 5.224 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.495 2.206 4.039 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.671 -0.136 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.657 2.730 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.530 2.081 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.580 0.129 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.852 -0.288 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.689 1.387 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.465 2.131 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.290 0.453 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.855 1.112 0.632 1.00 0.00 H new ATOM 612 N ARG A 39 -3.458 -0.919 5.155 1.00 0.00 N ATOM 613 CA ARG A 39 -4.297 -2.032 5.580 1.00 0.00 C ATOM 614 C ARG A 39 -5.209 -1.628 6.731 1.00 0.00 C ATOM 615 O ARG A 39 -6.416 -1.508 6.558 1.00 0.00 O ATOM 616 CB ARG A 39 -3.431 -3.217 6.006 1.00 0.00 C ATOM 617 CG ARG A 39 -2.441 -3.658 4.943 1.00 0.00 C ATOM 618 CD ARG A 39 -1.026 -3.734 5.496 1.00 0.00 C ATOM 619 NE ARG A 39 -0.901 -4.732 6.554 1.00 0.00 N ATOM 620 CZ ARG A 39 0.213 -4.932 7.253 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.292 -4.198 7.015 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.249 -5.865 8.195 1.00 0.00 N ATOM 0 H ARG A 39 -2.456 -1.096 5.232 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.918 -2.322 4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.885 -2.951 6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.078 -4.057 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.734 -4.633 4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.469 -2.960 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.334 -3.974 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.736 -2.757 5.884 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.714 -5.309 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.269 -3.477 6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.144 -4.355 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.578 -6.431 8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.104 -6.017 8.730 1.00 0.00 H new ATOM 636 N GLU A 40 -4.614 -1.392 7.894 1.00 0.00 N ATOM 637 CA GLU A 40 -5.365 -1.023 9.094 1.00 0.00 C ATOM 638 C GLU A 40 -6.530 -0.083 8.782 1.00 0.00 C ATOM 639 O GLU A 40 -7.555 -0.119 9.454 1.00 0.00 O ATOM 640 CB GLU A 40 -4.431 -0.368 10.113 1.00 0.00 C ATOM 641 CG GLU A 40 -5.131 0.080 11.386 1.00 0.00 C ATOM 642 CD GLU A 40 -4.187 0.748 12.367 1.00 0.00 C ATOM 643 OE1 GLU A 40 -3.985 1.974 12.255 1.00 0.00 O ATOM 644 OE2 GLU A 40 -3.649 0.043 13.247 1.00 0.00 O ATOM 0 H GLU A 40 -3.605 -1.450 8.035 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.785 -1.939 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.640 -1.072 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.951 0.494 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.933 0.772 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.595 -0.783 11.864 1.00 0.00 H new ATOM 651 N ALA A 41 -6.380 0.739 7.754 1.00 0.00 N ATOM 652 CA ALA A 41 -7.426 1.683 7.380 1.00 0.00 C ATOM 653 C ALA A 41 -8.686 0.983 6.865 1.00 0.00 C ATOM 654 O ALA A 41 -9.634 0.735 7.620 1.00 0.00 O ATOM 655 CB ALA A 41 -6.900 2.661 6.340 1.00 0.00 C ATOM 0 H ALA A 41 -5.548 0.773 7.165 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.709 2.228 8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.689 3.362 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.054 3.210 6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.580 2.113 5.454 1.00 0.00 H new ATOM 661 N PHE A 42 -8.690 0.644 5.581 1.00 0.00 N ATOM 662 CA PHE A 42 -9.853 0.014 4.966 1.00 0.00 C ATOM 663 C PHE A 42 -9.992 -1.460 5.343 1.00 0.00 C ATOM 664 O PHE A 42 -11.102 -1.993 5.362 1.00 0.00 O ATOM 665 CB PHE A 42 -9.791 0.175 3.447 1.00 0.00 C ATOM 666 CG PHE A 42 -10.260 1.522 2.974 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.496 2.656 3.198 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.471 1.654 2.314 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.930 3.896 2.769 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.910 2.892 1.884 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.139 4.015 2.112 1.00 0.00 C ATOM 0 H PHE A 42 -7.905 0.794 4.948 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.738 0.521 5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.766 0.017 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.401 -0.599 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.551 2.570 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.079 0.780 2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.324 4.772 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.856 2.981 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.481 4.983 1.777 1.00 0.00 H new ATOM 681 N LYS A 43 -8.879 -2.116 5.644 1.00 0.00 N ATOM 682 CA LYS A 43 -8.911 -3.530 6.009 1.00 0.00 C ATOM 683 C LYS A 43 -9.773 -3.767 7.248 1.00 0.00 C ATOM 684 O LYS A 43 -10.542 -4.727 7.294 1.00 0.00 O ATOM 685 CB LYS A 43 -7.498 -4.070 6.245 1.00 0.00 C ATOM 686 CG LYS A 43 -7.274 -5.460 5.670 1.00 0.00 C ATOM 687 CD LYS A 43 -6.421 -5.413 4.408 1.00 0.00 C ATOM 688 CE LYS A 43 -7.080 -4.589 3.310 1.00 0.00 C ATOM 689 NZ LYS A 43 -8.396 -5.155 2.902 1.00 0.00 N ATOM 0 H LYS A 43 -7.949 -1.698 5.644 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.356 -4.068 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.777 -3.382 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.301 -4.093 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.788 -6.089 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.236 -5.920 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.445 -4.989 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.249 -6.427 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.218 -3.565 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.420 -4.545 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.387 -5.353 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.572 -6.037 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.149 -4.471 3.115 1.00 0.00 H new ATOM 703 N VAL A 44 -9.652 -2.898 8.258 1.00 0.00 N ATOM 704 CA VAL A 44 -10.446 -3.061 9.473 1.00 0.00 C ATOM 705 C VAL A 44 -11.925 -2.810 9.201 1.00 0.00 C ATOM 706 O VAL A 44 -12.786 -3.439 9.817 1.00 0.00 O ATOM 707 CB VAL A 44 -9.980 -2.145 10.621 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.512 -2.384 10.936 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.239 -0.683 10.289 1.00 0.00 C ATOM 0 H VAL A 44 -9.026 -2.093 8.257 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.299 -4.094 9.788 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.560 -2.391 11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.203 -1.727 11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.368 -3.423 11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.911 -2.173 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.901 -0.057 11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.695 -0.414 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.306 -0.530 10.130 1.00 0.00 H new ATOM 719 N PHE A 45 -12.226 -1.888 8.283 1.00 0.00 N ATOM 720 CA PHE A 45 -13.620 -1.596 7.952 1.00 0.00 C ATOM 721 C PHE A 45 -14.331 -2.860 7.473 1.00 0.00 C ATOM 722 O PHE A 45 -15.561 -2.923 7.458 1.00 0.00 O ATOM 723 CB PHE A 45 -13.727 -0.493 6.893 1.00 0.00 C ATOM 724 CG PHE A 45 -13.459 0.886 7.433 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.160 1.365 8.528 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.506 1.702 6.845 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.917 2.631 9.026 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.258 2.968 7.338 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.964 3.434 8.429 1.00 0.00 C ATOM 0 H PHE A 45 -11.538 -1.341 7.766 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.107 -1.237 8.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.022 -0.703 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.725 -0.516 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.906 0.741 8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.950 1.344 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.471 2.992 9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.512 3.593 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.772 4.424 8.815 1.00 0.00 H new ATOM 739 N ASP A 46 -13.548 -3.862 7.080 1.00 0.00 N ATOM 740 CA ASP A 46 -14.102 -5.131 6.622 1.00 0.00 C ATOM 741 C ASP A 46 -14.744 -5.868 7.795 1.00 0.00 C ATOM 742 O ASP A 46 -14.077 -6.612 8.514 1.00 0.00 O ATOM 743 CB ASP A 46 -13.007 -5.995 5.994 1.00 0.00 C ATOM 744 CG ASP A 46 -13.565 -7.107 5.128 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.565 -7.735 5.535 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.000 -7.352 4.041 1.00 0.00 O ATOM 0 H ASP A 46 -12.529 -3.819 7.070 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.862 -4.931 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.353 -5.364 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.394 -6.428 6.784 1.00 0.00 H new ATOM 751 N ARG A 47 -16.041 -5.647 7.982 1.00 0.00 N ATOM 752 CA ARG A 47 -16.781 -6.267 9.076 1.00 0.00 C ATOM 753 C ARG A 47 -16.654 -7.788 9.062 1.00 0.00 C ATOM 754 O ARG A 47 -16.435 -8.408 10.104 1.00 0.00 O ATOM 755 CB ARG A 47 -18.255 -5.868 9.005 1.00 0.00 C ATOM 756 CG ARG A 47 -18.477 -4.364 8.982 1.00 0.00 C ATOM 757 CD ARG A 47 -19.954 -4.017 9.081 1.00 0.00 C ATOM 758 NE ARG A 47 -20.720 -4.551 7.955 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.039 -4.425 7.832 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.737 -3.794 8.766 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.660 -4.935 6.776 1.00 0.00 N ATOM 0 H ARG A 47 -16.604 -5.040 7.387 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.348 -5.907 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.699 -6.306 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.779 -6.291 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.938 -3.903 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.065 -3.948 8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.357 -4.412 10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.070 -2.934 9.117 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.214 -5.048 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.263 -3.404 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.748 -3.698 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.126 -5.424 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.671 -4.838 6.683 1.00 0.00 H new ATOM 775 N ASP A 48 -16.790 -8.387 7.883 1.00 0.00 N ATOM 776 CA ASP A 48 -16.701 -9.838 7.754 1.00 0.00 C ATOM 777 C ASP A 48 -15.250 -10.313 7.784 1.00 0.00 C ATOM 778 O ASP A 48 -14.980 -11.499 7.977 1.00 0.00 O ATOM 779 CB ASP A 48 -17.365 -10.296 6.455 1.00 0.00 C ATOM 780 CG ASP A 48 -18.663 -9.565 6.176 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.683 -9.900 6.814 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.657 -8.656 5.319 1.00 0.00 O ATOM 0 H ASP A 48 -16.961 -7.893 7.007 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.223 -10.278 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.677 -10.138 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.560 -11.367 6.509 1.00 0.00 H new ATOM 787 N GLY A 49 -14.324 -9.379 7.595 1.00 0.00 N ATOM 788 CA GLY A 49 -12.911 -9.716 7.607 1.00 0.00 C ATOM 789 C GLY A 49 -12.548 -10.767 6.574 1.00 0.00 C ATOM 790 O GLY A 49 -11.553 -11.476 6.729 1.00 0.00 O ATOM 0 H GLY A 49 -14.527 -8.392 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.326 -8.815 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.637 -10.077 8.598 1.00 0.00 H new ATOM 794 N ASN A 50 -13.348 -10.864 5.516 1.00 0.00 N ATOM 795 CA ASN A 50 -13.106 -11.838 4.458 1.00 0.00 C ATOM 796 C ASN A 50 -11.886 -11.449 3.633 1.00 0.00 C ATOM 797 O ASN A 50 -11.416 -12.221 2.797 1.00 0.00 O ATOM 798 CB ASN A 50 -14.325 -11.940 3.539 1.00 0.00 C ATOM 799 CG ASN A 50 -15.627 -12.085 4.302 1.00 0.00 C ATOM 800 OD1 ASN A 50 -16.667 -11.590 3.870 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.576 -12.768 5.441 1.00 0.00 N ATOM 0 H ASN A 50 -14.170 -10.279 5.369 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.924 -12.804 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.375 -11.051 2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.202 -12.795 2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.422 -12.899 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.691 -13.161 5.761 1.00 0.00 H new ATOM 808 N GLY A 51 -11.377 -10.247 3.875 1.00 0.00 N ATOM 809 CA GLY A 51 -10.229 -9.766 3.133 1.00 0.00 C ATOM 810 C GLY A 51 -10.647 -8.882 1.978 1.00 0.00 C ATOM 811 O GLY A 51 -9.821 -8.196 1.375 1.00 0.00 O ATOM 0 H GLY A 51 -11.740 -9.597 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.571 -9.209 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.657 -10.614 2.756 1.00 0.00 H new ATOM 815 N PHE A 52 -11.943 -8.904 1.674 1.00 0.00 N ATOM 816 CA PHE A 52 -12.495 -8.101 0.590 1.00 0.00 C ATOM 817 C PHE A 52 -13.584 -7.175 1.123 1.00 0.00 C ATOM 818 O PHE A 52 -14.495 -7.612 1.832 1.00 0.00 O ATOM 819 CB PHE A 52 -13.065 -9.003 -0.506 1.00 0.00 C ATOM 820 CG PHE A 52 -12.260 -10.250 -0.735 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.184 -10.246 -1.609 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.579 -11.424 -0.074 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.442 -11.393 -1.818 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.841 -12.572 -0.278 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.770 -12.558 -1.152 1.00 0.00 C ATOM 0 H PHE A 52 -12.632 -9.473 2.167 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.694 -7.497 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.085 -9.282 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.120 -8.439 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.923 -9.338 -2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.415 -11.441 0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.606 -11.379 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.100 -13.481 0.245 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.191 -13.455 -1.314 1.00 0.00 H new ATOM 835 N ILE A 53 -13.486 -5.896 0.777 1.00 0.00 N ATOM 836 CA ILE A 53 -14.453 -4.905 1.234 1.00 0.00 C ATOM 837 C ILE A 53 -15.585 -4.710 0.228 1.00 0.00 C ATOM 838 O ILE A 53 -15.400 -4.091 -0.820 1.00 0.00 O ATOM 839 CB ILE A 53 -13.771 -3.550 1.494 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.648 -3.710 2.518 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.788 -2.525 1.975 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.619 -2.607 2.456 1.00 0.00 C ATOM 0 H ILE A 53 -12.747 -5.521 0.182 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.876 -5.285 2.164 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.340 -3.193 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.080 -3.738 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.153 -4.668 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.288 -1.573 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.559 -2.393 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.246 -2.874 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.851 -2.783 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.161 -2.592 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.101 -1.648 2.647 1.00 0.00 H new ATOM 854 N SER A 54 -16.757 -5.244 0.560 1.00 0.00 N ATOM 855 CA SER A 54 -17.930 -5.117 -0.299 1.00 0.00 C ATOM 856 C SER A 54 -18.363 -3.658 -0.397 1.00 0.00 C ATOM 857 O SER A 54 -17.768 -2.786 0.236 1.00 0.00 O ATOM 858 CB SER A 54 -19.082 -5.968 0.241 1.00 0.00 C ATOM 859 OG SER A 54 -18.758 -7.348 0.205 1.00 0.00 O ATOM 0 H SER A 54 -16.920 -5.769 1.419 1.00 0.00 H new ATOM 0 HA SER A 54 -17.666 -5.473 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.309 -5.671 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.980 -5.787 -0.350 1.00 0.00 H new ATOM 0 HG SER A 54 -17.785 -7.455 0.168 1.00 0.00 H new ATOM 865 N LYS A 55 -19.399 -3.391 -1.187 1.00 0.00 N ATOM 866 CA LYS A 55 -19.891 -2.027 -1.353 1.00 0.00 C ATOM 867 C LYS A 55 -20.455 -1.484 -0.043 1.00 0.00 C ATOM 868 O LYS A 55 -20.142 -0.364 0.361 1.00 0.00 O ATOM 869 CB LYS A 55 -20.967 -1.969 -2.442 1.00 0.00 C ATOM 870 CG LYS A 55 -20.470 -2.352 -3.829 1.00 0.00 C ATOM 871 CD LYS A 55 -20.458 -3.860 -4.036 1.00 0.00 C ATOM 872 CE LYS A 55 -21.864 -4.441 -4.004 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.865 -5.913 -4.226 1.00 0.00 N ATOM 0 H LYS A 55 -19.911 -4.095 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.047 -1.406 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.785 -2.634 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.376 -0.959 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.106 -1.888 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.464 -1.958 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.989 -4.093 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.852 -4.329 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.326 -4.219 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.473 -3.959 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.842 -6.268 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.448 -6.124 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.306 -6.377 -3.482 1.00 0.00 H new ATOM 887 N GLN A 56 -21.286 -2.286 0.616 1.00 0.00 N ATOM 888 CA GLN A 56 -21.901 -1.885 1.877 1.00 0.00 C ATOM 889 C GLN A 56 -20.842 -1.628 2.946 1.00 0.00 C ATOM 890 O GLN A 56 -21.001 -0.744 3.789 1.00 0.00 O ATOM 891 CB GLN A 56 -22.876 -2.962 2.356 1.00 0.00 C ATOM 892 CG GLN A 56 -23.984 -3.268 1.361 1.00 0.00 C ATOM 893 CD GLN A 56 -24.860 -2.064 1.072 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.033 -1.188 1.919 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.423 -2.018 -0.131 1.00 0.00 N ATOM 0 H GLN A 56 -21.549 -3.218 0.297 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.448 -0.958 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.321 -3.877 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.323 -2.643 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.543 -3.623 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.602 -4.077 1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.252 -2.766 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.026 -1.234 -0.382 1.00 0.00 H new ATOM 904 N GLU A 57 -19.763 -2.403 2.906 1.00 0.00 N ATOM 905 CA GLU A 57 -18.681 -2.257 3.871 1.00 0.00 C ATOM 906 C GLU A 57 -17.911 -0.963 3.629 1.00 0.00 C ATOM 907 O GLU A 57 -17.659 -0.192 4.559 1.00 0.00 O ATOM 908 CB GLU A 57 -17.737 -3.459 3.793 1.00 0.00 C ATOM 909 CG GLU A 57 -18.383 -4.763 4.233 1.00 0.00 C ATOM 910 CD GLU A 57 -17.496 -5.967 3.990 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.615 -6.235 4.833 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.683 -6.645 2.958 1.00 0.00 O ATOM 0 H GLU A 57 -19.615 -3.139 2.215 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.115 -2.214 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.381 -3.566 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.863 -3.267 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.625 -4.704 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.324 -4.896 3.698 1.00 0.00 H new ATOM 919 N LEU A 58 -17.539 -0.724 2.375 1.00 0.00 N ATOM 920 CA LEU A 58 -16.810 0.485 2.024 1.00 0.00 C ATOM 921 C LEU A 58 -17.694 1.706 2.240 1.00 0.00 C ATOM 922 O LEU A 58 -17.206 2.830 2.360 1.00 0.00 O ATOM 923 CB LEU A 58 -16.329 0.428 0.573 1.00 0.00 C ATOM 924 CG LEU A 58 -15.479 1.620 0.126 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.183 1.143 -0.510 1.00 0.00 C ATOM 926 CD2 LEU A 58 -16.260 2.498 -0.841 1.00 0.00 C ATOM 0 H LEU A 58 -17.730 -1.348 1.591 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.935 0.561 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.750 -0.485 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.199 0.356 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.230 2.215 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.592 2.004 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.617 0.557 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.410 0.525 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.641 3.341 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.540 1.914 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -17.160 2.869 -0.350 1.00 0.00 H new ATOM 938 N GLY A 59 -19.003 1.471 2.294 1.00 0.00 N ATOM 939 CA GLY A 59 -19.941 2.552 2.513 1.00 0.00 C ATOM 940 C GLY A 59 -19.803 3.121 3.908 1.00 0.00 C ATOM 941 O GLY A 59 -20.184 4.263 4.168 1.00 0.00 O ATOM 0 H GLY A 59 -19.428 0.550 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.771 3.339 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.958 2.190 2.364 1.00 0.00 H new ATOM 945 N THR A 60 -19.253 2.309 4.807 1.00 0.00 N ATOM 946 CA THR A 60 -19.040 2.718 6.187 1.00 0.00 C ATOM 947 C THR A 60 -17.733 3.491 6.308 1.00 0.00 C ATOM 948 O THR A 60 -17.574 4.337 7.188 1.00 0.00 O ATOM 949 CB THR A 60 -19.002 1.502 7.135 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.200 0.732 6.986 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.856 1.943 8.584 1.00 0.00 C ATOM 0 H THR A 60 -18.946 1.359 4.600 1.00 0.00 H new ATOM 0 HA THR A 60 -19.875 3.356 6.476 1.00 0.00 H new ATOM 0 HB THR A 60 -18.138 0.892 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.170 -0.040 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.832 1.066 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.930 2.506 8.701 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.701 2.574 8.859 1.00 0.00 H new ATOM 959 N ALA A 61 -16.798 3.188 5.413 1.00 0.00 N ATOM 960 CA ALA A 61 -15.503 3.856 5.404 1.00 0.00 C ATOM 961 C ALA A 61 -15.636 5.311 4.962 1.00 0.00 C ATOM 962 O ALA A 61 -14.974 6.196 5.504 1.00 0.00 O ATOM 963 CB ALA A 61 -14.535 3.117 4.493 1.00 0.00 C ATOM 0 H ALA A 61 -16.914 2.484 4.684 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.112 3.846 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.572 3.627 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.406 2.096 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.933 3.098 3.478 1.00 0.00 H new ATOM 969 N MET A 62 -16.496 5.551 3.975 1.00 0.00 N ATOM 970 CA MET A 62 -16.713 6.899 3.458 1.00 0.00 C ATOM 971 C MET A 62 -17.430 7.778 4.478 1.00 0.00 C ATOM 972 O MET A 62 -17.014 8.909 4.732 1.00 0.00 O ATOM 973 CB MET A 62 -17.518 6.846 2.158 1.00 0.00 C ATOM 974 CG MET A 62 -16.790 6.152 1.018 1.00 0.00 C ATOM 975 SD MET A 62 -15.205 6.925 0.636 1.00 0.00 S ATOM 976 CE MET A 62 -14.676 5.944 -0.766 1.00 0.00 C ATOM 0 H MET A 62 -17.054 4.830 3.518 1.00 0.00 H new ATOM 0 HA MET A 62 -15.736 7.339 3.258 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.459 6.329 2.344 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.767 7.862 1.853 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.627 5.106 1.279 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.420 6.164 0.129 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.877 5.269 -0.457 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.518 5.362 -1.141 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.310 6.603 -1.554 1.00 0.00 H new ATOM 986 N ARG A 63 -18.507 7.258 5.059 1.00 0.00 N ATOM 987 CA ARG A 63 -19.273 8.006 6.051 1.00 0.00 C ATOM 988 C ARG A 63 -18.397 8.372 7.244 1.00 0.00 C ATOM 989 O ARG A 63 -18.604 9.401 7.888 1.00 0.00 O ATOM 990 CB ARG A 63 -20.486 7.197 6.516 1.00 0.00 C ATOM 991 CG ARG A 63 -20.122 5.897 7.212 1.00 0.00 C ATOM 992 CD ARG A 63 -21.358 5.164 7.710 1.00 0.00 C ATOM 993 NE ARG A 63 -22.097 5.946 8.697 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.902 5.410 9.611 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.071 4.096 9.663 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.537 6.189 10.475 1.00 0.00 N ATOM 0 H ARG A 63 -18.868 6.325 4.861 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.625 8.926 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -21.081 7.808 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.115 6.974 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.571 5.257 6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.459 6.106 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.009 4.937 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.062 4.212 8.150 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.990 6.960 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.583 3.492 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.689 3.689 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.409 7.200 10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.154 5.777 11.175 1.00 0.00 H new ATOM 1010 N SER A 64 -17.423 7.515 7.538 1.00 0.00 N ATOM 1011 CA SER A 64 -16.504 7.748 8.647 1.00 0.00 C ATOM 1012 C SER A 64 -15.850 9.122 8.530 1.00 0.00 C ATOM 1013 O SER A 64 -15.575 9.778 9.536 1.00 0.00 O ATOM 1014 CB SER A 64 -15.429 6.660 8.686 1.00 0.00 C ATOM 1015 OG SER A 64 -14.532 6.866 9.763 1.00 0.00 O ATOM 0 H SER A 64 -17.250 6.652 7.023 1.00 0.00 H new ATOM 0 HA SER A 64 -17.077 7.714 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.901 5.682 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.878 6.656 7.746 1.00 0.00 H new ATOM 0 HG SER A 64 -13.856 6.156 9.766 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.602 9.551 7.295 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.982 10.848 7.043 1.00 0.00 C ATOM 1023 C LEU A 65 -16.032 11.955 7.017 1.00 0.00 C ATOM 1024 O LEU A 65 -15.709 13.134 7.162 1.00 0.00 O ATOM 1025 CB LEU A 65 -14.220 10.823 5.717 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.340 9.592 5.492 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.667 9.660 4.131 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.301 9.465 6.598 1.00 0.00 C ATOM 0 H LEU A 65 -15.821 9.019 6.453 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.282 11.053 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.940 10.888 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.593 11.713 5.660 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.975 8.707 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.045 8.776 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.427 9.699 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.045 10.554 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.685 8.583 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.669 10.353 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.804 9.368 7.560 1.00 0.00 H new ATOM 1040 N GLY A 66 -17.289 11.564 6.831 1.00 0.00 N ATOM 1041 CA GLY A 66 -18.371 12.532 6.789 1.00 0.00 C ATOM 1042 C GLY A 66 -19.083 12.557 5.451 1.00 0.00 C ATOM 1043 O GLY A 66 -19.740 13.540 5.109 1.00 0.00 O ATOM 0 H GLY A 66 -17.578 10.594 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.091 12.301 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.974 13.524 7.003 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.952 11.474 4.691 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.592 11.377 3.384 1.00 0.00 C ATOM 1049 C TYR A 67 -20.521 10.169 3.322 1.00 0.00 C ATOM 1050 O TYR A 67 -20.067 9.032 3.210 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.534 11.282 2.285 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.544 12.425 2.303 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.800 13.601 1.609 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.355 12.329 3.016 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.899 14.649 1.626 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.450 13.374 3.038 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.727 14.531 2.341 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.830 15.574 2.364 1.00 0.00 O ATOM 0 H TYR A 67 -18.409 10.653 4.957 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.188 12.276 3.228 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.994 10.341 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.030 11.256 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.717 13.698 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.134 11.424 3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.113 15.557 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.531 13.285 3.598 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.057 15.329 2.914 1.00 0.00 H new ATOM 1068 N MET A 68 -21.824 10.427 3.397 1.00 0.00 N ATOM 1069 CA MET A 68 -22.821 9.361 3.352 1.00 0.00 C ATOM 1070 C MET A 68 -23.077 8.910 1.912 1.00 0.00 C ATOM 1071 O MET A 68 -23.644 9.661 1.118 1.00 0.00 O ATOM 1072 CB MET A 68 -24.132 9.837 3.982 1.00 0.00 C ATOM 1073 CG MET A 68 -23.972 10.372 5.396 1.00 0.00 C ATOM 1074 SD MET A 68 -23.287 9.150 6.530 1.00 0.00 S ATOM 1075 CE MET A 68 -24.570 7.901 6.500 1.00 0.00 C ATOM 0 H MET A 68 -22.214 11.365 3.489 1.00 0.00 H new ATOM 0 HA MET A 68 -22.434 8.514 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.564 10.617 3.355 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.841 9.009 3.994 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.323 11.248 5.377 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.942 10.702 5.767 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.452 7.237 7.357 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.547 8.382 6.546 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.493 7.322 5.579 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.663 7.677 1.550 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.858 7.147 0.205 1.00 0.00 C ATOM 1087 C PRO A 69 -24.211 6.463 0.040 1.00 0.00 C ATOM 1088 O PRO A 69 -24.591 5.614 0.847 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.727 6.132 0.086 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.552 5.601 1.471 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.970 6.703 2.418 1.00 0.00 C ATOM 0 HA PRO A 69 -22.846 7.926 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.980 5.336 -0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.812 6.599 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.160 4.709 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.515 5.313 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.628 6.328 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -21.109 7.152 2.913 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.936 6.837 -1.011 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.246 6.255 -1.282 1.00 0.00 C ATOM 1101 C ASN A 70 -26.108 4.852 -1.865 1.00 0.00 C ATOM 1102 O ASN A 70 -24.999 4.340 -2.011 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.038 7.143 -2.242 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.272 8.532 -1.683 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.349 9.447 -1.961 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -28.270 8.782 -1.009 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.638 7.540 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.785 6.186 -0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.501 7.220 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.998 6.674 -2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -28.954 8.049 -0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -28.414 9.722 -0.640 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.237 4.235 -2.195 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.233 2.890 -2.762 1.00 0.00 C ATOM 1115 C GLU A 71 -26.541 2.869 -4.120 1.00 0.00 C ATOM 1116 O GLU A 71 -25.863 1.902 -4.466 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.665 2.364 -2.894 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.564 3.250 -3.740 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.979 2.714 -3.842 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.813 3.071 -2.983 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.254 1.940 -4.782 1.00 0.00 O ATOM 0 H GLU A 71 -28.165 4.643 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.677 2.241 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.637 1.366 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.100 2.264 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.589 4.252 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.141 3.342 -4.740 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.714 3.942 -4.884 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.109 4.044 -6.207 1.00 0.00 C ATOM 1130 C VAL A 72 -24.676 4.565 -6.126 1.00 0.00 C ATOM 1131 O VAL A 72 -23.855 4.293 -7.003 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.935 4.967 -7.127 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.979 6.381 -6.569 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -26.375 4.959 -8.541 1.00 0.00 C ATOM 0 H VAL A 72 -27.268 4.753 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.095 3.039 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.956 4.586 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.566 7.016 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.437 6.368 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -25.965 6.774 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -26.972 5.616 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -25.343 5.310 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.408 3.945 -8.939 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.379 5.312 -5.066 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.047 5.875 -4.875 1.00 0.00 C ATOM 1146 C GLU A 73 -22.001 4.782 -4.674 1.00 0.00 C ATOM 1147 O GLU A 73 -21.032 4.694 -5.426 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.038 6.828 -3.680 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.805 8.117 -3.924 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.191 8.960 -5.025 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -22.280 9.760 -4.722 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.620 8.821 -6.190 1.00 0.00 O ATOM 0 H GLU A 73 -25.043 5.541 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.791 6.428 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.466 6.319 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.006 7.071 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.836 7.878 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.837 8.697 -3.002 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.199 3.949 -3.657 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.260 2.871 -3.359 1.00 0.00 C ATOM 1161 C LEU A 74 -21.069 1.945 -4.559 1.00 0.00 C ATOM 1162 O LEU A 74 -20.133 1.148 -4.593 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.731 2.073 -2.138 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.219 1.714 -2.114 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.508 0.529 -3.021 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.668 1.416 -0.692 1.00 0.00 C ATOM 0 H LEU A 74 -22.999 3.999 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.295 3.325 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.153 1.151 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.500 2.647 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.781 2.570 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.572 0.295 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.225 0.776 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.935 -0.335 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.728 1.162 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.094 0.578 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.504 2.294 -0.067 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.957 2.056 -5.542 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.879 1.226 -6.740 1.00 0.00 C ATOM 1180 C GLU A 75 -20.900 1.805 -7.760 1.00 0.00 C ATOM 1181 O GLU A 75 -20.259 1.062 -8.504 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.261 1.075 -7.376 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.234 0.263 -6.538 1.00 0.00 C ATOM 1184 CD GLU A 75 -23.810 -1.186 -6.395 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.106 -1.983 -7.310 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.184 -1.524 -5.369 1.00 0.00 O ATOM 0 H GLU A 75 -22.738 2.712 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.513 0.245 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.682 2.066 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.152 0.601 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.319 0.712 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.223 0.305 -6.993 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.786 3.131 -7.795 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.886 3.790 -8.736 1.00 0.00 C ATOM 1195 C VAL A 76 -18.490 3.968 -8.148 1.00 0.00 C ATOM 1196 O VAL A 76 -17.509 4.093 -8.881 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.429 5.163 -9.181 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.767 5.003 -9.890 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.561 6.104 -7.994 1.00 0.00 C ATOM 0 H VAL A 76 -21.302 3.766 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.823 3.138 -9.607 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.717 5.600 -9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.135 5.982 -10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.640 4.371 -10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.485 4.541 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.946 7.066 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.248 5.675 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.584 6.247 -7.532 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.407 3.984 -6.824 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.130 4.145 -6.141 1.00 0.00 C ATOM 1211 C ILE A 77 -16.369 2.822 -6.069 1.00 0.00 C ATOM 1212 O ILE A 77 -15.139 2.803 -6.072 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.334 4.695 -4.717 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.107 6.013 -4.772 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.995 4.888 -4.020 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.112 6.166 -3.655 1.00 0.00 C ATOM 0 H ILE A 77 -19.209 3.887 -6.201 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.542 4.858 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.914 3.973 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.400 6.842 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.625 6.082 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.161 5.277 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.476 3.931 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.388 5.594 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.624 7.123 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.841 5.357 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.597 6.129 -2.695 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.110 1.719 -6.008 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.508 0.393 -5.921 1.00 0.00 C ATOM 1230 C ILE A 78 -16.154 -0.160 -7.301 1.00 0.00 C ATOM 1231 O ILE A 78 -15.278 -1.016 -7.426 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.447 -0.596 -5.190 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.553 -0.225 -3.707 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -16.966 -2.033 -5.350 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.255 -0.389 -2.945 1.00 0.00 C ATOM 0 H ILE A 78 -18.130 1.718 -6.017 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.587 0.501 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.436 -0.524 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.885 0.810 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.319 -0.844 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.646 -2.705 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.943 -2.293 -6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.965 -2.130 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.407 -0.108 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -15.931 -1.429 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.491 0.251 -3.386 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.815 0.342 -8.340 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.557 -0.131 -9.695 1.00 0.00 C ATOM 1249 C GLN A 79 -15.231 0.412 -10.218 1.00 0.00 C ATOM 1250 O GLN A 79 -14.683 -0.100 -11.194 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.697 0.272 -10.635 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.805 1.771 -10.867 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.844 2.124 -11.912 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.844 1.424 -12.072 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.611 3.215 -12.634 1.00 0.00 N ATOM 0 H GLN A 79 -17.527 1.069 -8.271 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.497 -1.219 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.556 -0.225 -11.595 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.639 -0.091 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.057 2.263 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.835 2.158 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.769 3.766 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.274 3.501 -13.354 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.718 1.451 -9.562 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.455 2.060 -9.966 1.00 0.00 C ATOM 1266 C ARG A 80 -12.275 1.184 -9.559 1.00 0.00 C ATOM 1267 O ARG A 80 -11.354 0.963 -10.345 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.310 3.451 -9.344 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.355 4.448 -9.820 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.201 4.757 -11.301 1.00 0.00 C ATOM 1271 NE ARG A 80 -12.867 5.257 -11.620 1.00 0.00 N ATOM 1272 CZ ARG A 80 -12.537 5.788 -12.794 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.445 5.897 -13.755 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -11.299 6.212 -13.008 1.00 0.00 N ATOM 0 H ARG A 80 -15.157 1.887 -8.751 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.458 2.155 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.373 3.362 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.318 3.840 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.352 4.048 -9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.268 5.370 -9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.399 3.856 -11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.945 5.496 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.146 5.196 -10.901 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.399 5.573 -13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.189 6.305 -14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.598 6.131 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.048 6.619 -13.909 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.310 0.688 -8.327 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.243 -0.165 -7.817 1.00 0.00 C ATOM 1290 C LEU A 81 -11.410 -1.597 -8.315 1.00 0.00 C ATOM 1291 O LEU A 81 -10.442 -2.242 -8.713 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.222 -0.147 -6.285 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.948 1.218 -5.649 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -12.195 2.088 -5.678 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.448 1.049 -4.222 1.00 0.00 C ATOM 0 H LEU A 81 -13.065 0.862 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.296 0.227 -8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.182 -0.513 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.462 -0.849 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.173 1.716 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.976 3.053 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.509 2.239 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.994 1.597 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.258 2.029 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.202 0.528 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.525 0.469 -4.226 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.647 -2.085 -8.283 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.955 -3.441 -8.732 1.00 0.00 C ATOM 1309 C ASP A 82 -12.748 -3.580 -10.240 1.00 0.00 C ATOM 1310 O ASP A 82 -13.700 -3.517 -11.018 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.396 -3.796 -8.359 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.769 -5.212 -8.747 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.858 -6.059 -8.850 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.975 -5.474 -8.941 1.00 0.00 O ATOM 0 H ASP A 82 -13.456 -1.560 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.275 -4.132 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.530 -3.671 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.076 -3.099 -8.848 1.00 0.00 H new ATOM 1319 N MET A 83 -11.493 -3.767 -10.641 1.00 0.00 N ATOM 1320 CA MET A 83 -11.143 -3.909 -12.051 1.00 0.00 C ATOM 1321 C MET A 83 -11.611 -5.248 -12.617 1.00 0.00 C ATOM 1322 O MET A 83 -12.229 -5.299 -13.681 1.00 0.00 O ATOM 1323 CB MET A 83 -9.630 -3.777 -12.233 1.00 0.00 C ATOM 1324 CG MET A 83 -9.069 -2.449 -11.748 1.00 0.00 C ATOM 1325 SD MET A 83 -7.275 -2.349 -11.910 1.00 0.00 S ATOM 1326 CE MET A 83 -7.074 -2.546 -13.679 1.00 0.00 C ATOM 0 H MET A 83 -10.698 -3.824 -10.005 1.00 0.00 H new ATOM 0 HA MET A 83 -11.651 -3.114 -12.597 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.136 -4.587 -11.697 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.388 -3.900 -13.289 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.526 -1.638 -12.314 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.344 -2.303 -10.703 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.085 -2.195 -13.974 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.179 -3.599 -13.942 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.836 -1.965 -14.199 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.312 -6.328 -11.904 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.691 -7.666 -12.350 1.00 0.00 C ATOM 1338 C ASP A 84 -13.205 -7.862 -12.310 1.00 0.00 C ATOM 1339 O ASP A 84 -13.744 -8.739 -12.985 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.998 -8.730 -11.497 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.366 -8.632 -10.030 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.276 -7.522 -9.466 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.737 -9.669 -9.444 1.00 0.00 O ATOM 0 H ASP A 84 -10.810 -6.305 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.366 -7.773 -13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.265 -9.719 -11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.918 -8.630 -11.604 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.886 -7.039 -11.519 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.333 -7.129 -11.421 1.00 0.00 C ATOM 1350 C GLY A 85 -15.806 -8.279 -10.551 1.00 0.00 C ATOM 1351 O GLY A 85 -16.812 -8.918 -10.857 1.00 0.00 O ATOM 0 H GLY A 85 -13.462 -6.311 -10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.722 -6.194 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.751 -7.243 -12.421 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.088 -8.542 -9.463 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.457 -9.623 -8.553 1.00 0.00 C ATOM 1357 C ASP A 86 -16.570 -9.184 -7.607 1.00 0.00 C ATOM 1358 O ASP A 86 -17.266 -10.017 -7.023 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.241 -10.088 -7.749 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.681 -8.996 -6.857 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.942 -8.131 -7.369 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.979 -9.011 -5.644 1.00 0.00 O ATOM 0 H ASP A 86 -14.252 -8.025 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.822 -10.456 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.521 -10.945 -7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.464 -10.426 -8.435 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.732 -7.872 -7.459 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.762 -7.343 -6.582 1.00 0.00 C ATOM 1369 C GLY A 87 -17.183 -6.628 -5.377 1.00 0.00 C ATOM 1370 O GLY A 87 -17.831 -5.759 -4.792 1.00 0.00 O ATOM 0 H GLY A 87 -16.168 -7.165 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.393 -6.653 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.402 -8.158 -6.245 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.962 -6.998 -5.004 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.292 -6.391 -3.860 1.00 0.00 C ATOM 1376 C GLN A 88 -13.913 -5.863 -4.250 1.00 0.00 C ATOM 1377 O GLN A 88 -13.405 -6.169 -5.329 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.161 -7.415 -2.732 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.494 -8.002 -2.294 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.341 -9.076 -1.235 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.364 -8.670 0.028 1.00 0.00 O flip ATOM 1382 NE2 GLN A 88 -16.203 -10.259 -1.550 1.00 0.00 N flip ATOM 0 H GLN A 88 -15.416 -7.717 -5.479 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.894 -5.549 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.506 -8.223 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.681 -6.942 -1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.128 -7.204 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.004 -8.422 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.191 -10.527 -2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.101 -10.971 -0.827 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.314 -5.071 -3.365 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.997 -4.494 -3.619 1.00 0.00 C ATOM 1393 C VAL A 89 -10.891 -5.335 -2.991 1.00 0.00 C ATOM 1394 O VAL A 89 -10.888 -5.570 -1.781 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.898 -3.056 -3.076 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.561 -2.431 -3.451 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.053 -2.208 -3.587 1.00 0.00 C ATOM 0 H VAL A 89 -13.720 -4.814 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.867 -4.479 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.961 -3.096 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.511 -1.415 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.751 -3.024 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.463 -2.405 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.964 -1.196 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.027 -2.176 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.997 -2.644 -3.260 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.956 -5.786 -3.822 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.839 -6.599 -3.350 1.00 0.00 C ATOM 1409 C ASP A 90 -7.681 -5.721 -2.877 1.00 0.00 C ATOM 1410 O ASP A 90 -7.486 -4.614 -3.380 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.365 -7.543 -4.456 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.236 -8.448 -4.001 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.527 -9.511 -3.415 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -6.061 -8.094 -4.234 1.00 0.00 O ATOM 0 H ASP A 90 -9.949 -5.603 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.187 -7.190 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.203 -8.154 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.034 -6.957 -5.313 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.924 -6.223 -1.907 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.786 -5.493 -1.351 1.00 0.00 C ATOM 1421 C PHE A 91 -4.855 -4.970 -2.445 1.00 0.00 C ATOM 1422 O PHE A 91 -4.506 -3.791 -2.455 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.013 -6.395 -0.385 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.867 -5.717 0.318 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.024 -4.470 0.906 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.631 -6.339 0.398 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.968 -3.859 1.558 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.574 -5.733 1.049 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.742 -4.492 1.631 1.00 0.00 C ATOM 0 H PHE A 91 -7.078 -7.139 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.174 -4.629 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.704 -6.782 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.628 -7.253 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.981 -3.971 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.492 -7.310 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.102 -2.887 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.616 -6.230 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.917 -4.017 2.142 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.460 -5.847 -3.366 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.558 -5.467 -4.453 1.00 0.00 C ATOM 1441 C GLU A 92 -4.090 -4.264 -5.234 1.00 0.00 C ATOM 1442 O GLU A 92 -3.367 -3.296 -5.464 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.334 -6.648 -5.399 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.653 -7.837 -4.739 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.364 -8.960 -5.715 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.275 -8.950 -6.327 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.227 -9.850 -5.868 1.00 0.00 O ATOM 0 H GLU A 92 -4.750 -6.825 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.607 -5.181 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.295 -6.968 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.730 -6.317 -6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.719 -7.509 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.286 -8.213 -3.935 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.345 -4.333 -5.657 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.954 -3.236 -6.404 1.00 0.00 C ATOM 1456 C GLU A 93 -5.936 -1.944 -5.592 1.00 0.00 C ATOM 1457 O GLU A 93 -5.928 -0.846 -6.151 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.392 -3.591 -6.783 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.505 -4.859 -7.612 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.942 -5.295 -7.817 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.463 -6.044 -6.965 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.547 -4.885 -8.830 1.00 0.00 O ATOM 0 H GLU A 93 -5.960 -5.131 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.371 -3.080 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.981 -3.708 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.828 -2.762 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.036 -4.697 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.953 -5.660 -7.121 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.904 -2.081 -4.270 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.903 -0.928 -3.379 1.00 0.00 C ATOM 1471 C PHE A 94 -4.502 -0.342 -3.237 1.00 0.00 C ATOM 1472 O PHE A 94 -4.304 0.859 -3.417 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.450 -1.323 -2.005 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.794 -0.150 -1.133 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.901 0.636 -1.410 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.012 0.166 -0.033 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -8.223 1.715 -0.608 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.328 1.243 0.773 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.435 2.019 0.485 1.00 0.00 C ATOM 0 H PHE A 94 -5.878 -2.982 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.547 -0.164 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.340 -1.937 -2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.712 -1.941 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.520 0.403 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.146 -0.437 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.089 2.319 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.711 1.478 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.683 2.861 1.113 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.535 -1.196 -2.913 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.154 -0.758 -2.743 1.00 0.00 C ATOM 1491 C VAL A 95 -1.648 -0.019 -3.974 1.00 0.00 C ATOM 1492 O VAL A 95 -0.890 0.945 -3.859 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.211 -1.938 -2.442 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.382 -2.408 -1.009 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -1.444 -3.080 -3.410 1.00 0.00 C ATOM 0 H VAL A 95 -3.683 -2.194 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.152 -0.079 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.186 -1.591 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.707 -3.242 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.151 -1.589 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.411 -2.731 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.765 -3.900 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.474 -3.426 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.260 -2.737 -4.428 1.00 0.00 H new ATOM 1505 N THR A 96 -2.064 -0.469 -5.156 1.00 0.00 N ATOM 1506 CA THR A 96 -1.645 0.163 -6.400 1.00 0.00 C ATOM 1507 C THR A 96 -2.097 1.618 -6.455 1.00 0.00 C ATOM 1508 O THR A 96 -1.295 2.516 -6.716 1.00 0.00 O ATOM 1509 CB THR A 96 -2.204 -0.586 -7.626 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.807 -1.962 -7.582 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.711 0.043 -8.921 1.00 0.00 C ATOM 0 H THR A 96 -2.689 -1.266 -5.276 1.00 0.00 H new ATOM 0 HA THR A 96 -0.556 0.123 -6.426 1.00 0.00 H new ATOM 0 HB THR A 96 -3.291 -0.517 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.301 -2.422 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.120 -0.504 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.037 1.082 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.622 0.003 -8.954 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.384 1.848 -6.206 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.931 3.201 -6.229 1.00 0.00 C ATOM 1521 C LEU A 97 -3.569 3.960 -4.956 1.00 0.00 C ATOM 1522 O LEU A 97 -3.853 5.151 -4.830 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.451 3.161 -6.416 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.211 2.248 -5.449 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -6.472 2.957 -4.127 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -7.518 1.788 -6.076 1.00 0.00 C ATOM 0 H LEU A 97 -4.064 1.119 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.490 3.730 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.839 4.174 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.666 2.840 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.594 1.372 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.013 2.289 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.523 3.238 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.068 3.852 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.048 1.140 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.136 2.656 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.308 1.238 -6.993 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.937 3.263 -4.014 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.530 3.873 -2.752 1.00 0.00 C ATOM 1540 C LEU A 98 -1.036 4.188 -2.765 1.00 0.00 C ATOM 1541 O LEU A 98 -0.423 4.392 -1.718 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.858 2.943 -1.578 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.492 3.621 -0.359 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -2.584 4.711 0.189 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -4.857 4.192 -0.714 1.00 0.00 C ATOM 0 H LEU A 98 -2.696 2.276 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.083 4.804 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.534 2.164 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.940 2.449 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.624 2.867 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.056 5.177 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.631 4.275 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.413 5.464 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.291 4.669 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.748 4.928 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.511 3.388 -1.051 1.00 0.00 H new