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 Single : A 43 LYS NZ :NH3+ -179:sc= -2.76 (180deg=-2.82) USER MOD Single : A 50 ASN : amide:sc= -0.202 K(o=-0.2,f=-5.5!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.134 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.89 F(o=-3.3,f=-1.9) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -162:sc= -0.0748 (180deg=-0.491) USER MOD Single : A 64 SER OG : rot -150:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -128:sc= -0.204 (180deg=-0.854) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.546 F(o=-2!,f=-0.55) USER MOD Single : A 83 MET CE :methyl -169:sc= -0.65 (180deg=-0.895) USER MOD Single : A 88 GLN : amide:sc= -0.591 K(o=-0.59,f=-2.4) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.627 0.971 5.240 1.00 0.00 N ATOM 545 CA LEU A 35 1.718 -0.029 4.690 1.00 0.00 C ATOM 546 C LEU A 35 0.763 -0.536 5.765 1.00 0.00 C ATOM 547 O LEU A 35 -0.391 -0.861 5.483 1.00 0.00 O ATOM 548 CB LEU A 35 2.503 -1.202 4.104 1.00 0.00 C ATOM 549 CG LEU A 35 1.658 -2.219 3.336 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.266 -1.671 1.973 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.405 -3.533 3.188 1.00 0.00 C ATOM 0 HA LEU A 35 1.138 0.442 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.270 -0.810 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.019 -1.717 4.915 1.00 0.00 H new ATOM 0 HG LEU A 35 0.747 -2.405 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.665 -2.410 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.686 -0.757 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.165 -1.453 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.787 -4.243 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.334 -3.364 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.631 -3.936 4.175 1.00 0.00 H new ATOM 563 N GLU A 36 1.255 -0.597 6.999 1.00 0.00 N ATOM 564 CA GLU A 36 0.454 -1.065 8.126 1.00 0.00 C ATOM 565 C GLU A 36 -0.797 -0.210 8.289 1.00 0.00 C ATOM 566 O GLU A 36 -1.848 -0.701 8.702 1.00 0.00 O ATOM 567 CB GLU A 36 1.283 -1.033 9.412 1.00 0.00 C ATOM 568 CG GLU A 36 0.529 -1.524 10.638 1.00 0.00 C ATOM 569 CD GLU A 36 1.395 -1.548 11.881 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.499 -0.500 12.553 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.970 -2.616 12.183 1.00 0.00 O ATOM 0 H GLU A 36 2.208 -0.327 7.244 1.00 0.00 H new ATOM 0 HA GLU A 36 0.147 -2.092 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.174 -1.646 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.622 -0.013 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.333 -0.880 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.145 -2.526 10.447 1.00 0.00 H new ATOM 578 N GLU A 37 -0.674 1.072 7.964 1.00 0.00 N ATOM 579 CA GLU A 37 -1.794 1.999 8.069 1.00 0.00 C ATOM 580 C GLU A 37 -2.813 1.734 6.966 1.00 0.00 C ATOM 581 O GLU A 37 -4.019 1.870 7.176 1.00 0.00 O ATOM 582 CB GLU A 37 -1.292 3.444 7.992 1.00 0.00 C ATOM 583 CG GLU A 37 -2.366 4.486 8.265 1.00 0.00 C ATOM 584 CD GLU A 37 -3.215 4.789 7.045 1.00 0.00 C ATOM 585 OE1 GLU A 37 -2.677 5.367 6.077 1.00 0.00 O ATOM 586 OE2 GLU A 37 -4.418 4.455 7.061 1.00 0.00 O ATOM 0 H GLU A 37 0.191 1.493 7.625 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.281 1.847 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.482 3.575 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.872 3.620 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.010 4.135 9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.894 5.406 8.611 1.00 0.00 H new ATOM 593 N ILE A 38 -2.319 1.350 5.791 1.00 0.00 N ATOM 594 CA ILE A 38 -3.188 1.063 4.654 1.00 0.00 C ATOM 595 C ILE A 38 -4.139 -0.085 4.971 1.00 0.00 C ATOM 596 O ILE A 38 -5.338 -0.006 4.696 1.00 0.00 O ATOM 597 CB ILE A 38 -2.374 0.710 3.391 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.435 1.865 3.028 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.312 0.395 2.232 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.574 1.595 1.813 1.00 0.00 C ATOM 0 H ILE A 38 -1.324 1.231 5.602 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.763 1.968 4.459 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.770 -0.174 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.029 2.761 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.789 2.077 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.726 0.148 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.945 -0.452 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.936 1.264 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.063 2.458 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.048 0.719 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.212 1.414 0.948 1.00 0.00 H new ATOM 612 N ARG A 39 -3.598 -1.151 5.552 1.00 0.00 N ATOM 613 CA ARG A 39 -4.397 -2.318 5.902 1.00 0.00 C ATOM 614 C ARG A 39 -5.369 -1.995 7.028 1.00 0.00 C ATOM 615 O ARG A 39 -6.567 -1.899 6.802 1.00 0.00 O ATOM 616 CB ARG A 39 -3.492 -3.480 6.312 1.00 0.00 C ATOM 617 CG ARG A 39 -2.524 -3.900 5.222 1.00 0.00 C ATOM 618 CD ARG A 39 -1.092 -3.942 5.730 1.00 0.00 C ATOM 619 NE ARG A 39 -0.899 -4.976 6.743 1.00 0.00 N ATOM 620 CZ ARG A 39 0.294 -5.424 7.126 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.398 -4.934 6.577 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.383 -6.364 8.057 1.00 0.00 N ATOM 0 H ARG A 39 -2.609 -1.230 5.790 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.972 -2.608 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.927 -3.196 7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.111 -4.334 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.805 -4.883 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.593 -3.205 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.416 -4.123 4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.828 -2.971 6.149 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.727 -5.378 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.334 -4.212 5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.311 -5.279 6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.464 -6.744 8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.298 -6.707 8.350 1.00 0.00 H new ATOM 636 N GLU A 40 -4.841 -1.797 8.232 1.00 0.00 N ATOM 637 CA GLU A 40 -5.669 -1.500 9.402 1.00 0.00 C ATOM 638 C GLU A 40 -6.829 -0.563 9.062 1.00 0.00 C ATOM 639 O GLU A 40 -7.885 -0.624 9.684 1.00 0.00 O ATOM 640 CB GLU A 40 -4.813 -0.885 10.510 1.00 0.00 C ATOM 641 CG GLU A 40 -3.750 -1.827 11.055 1.00 0.00 C ATOM 642 CD GLU A 40 -4.345 -3.069 11.689 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.717 -3.008 12.879 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.437 -4.103 10.995 1.00 0.00 O ATOM 0 H GLU A 40 -3.840 -1.837 8.426 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.095 -2.442 9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.328 0.013 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.462 -0.572 11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.080 -2.121 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.146 -1.300 11.793 1.00 0.00 H new ATOM 651 N ALA A 41 -6.633 0.292 8.066 1.00 0.00 N ATOM 652 CA ALA A 41 -7.667 1.239 7.659 1.00 0.00 C ATOM 653 C ALA A 41 -8.896 0.544 7.066 1.00 0.00 C ATOM 654 O ALA A 41 -9.907 0.347 7.748 1.00 0.00 O ATOM 655 CB ALA A 41 -7.095 2.235 6.660 1.00 0.00 C ATOM 0 H ALA A 41 -5.770 0.350 7.525 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.997 1.764 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.873 2.938 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.271 2.780 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.731 1.701 5.782 1.00 0.00 H new ATOM 661 N PHE A 42 -8.803 0.154 5.800 1.00 0.00 N ATOM 662 CA PHE A 42 -9.924 -0.477 5.112 1.00 0.00 C ATOM 663 C PHE A 42 -10.082 -1.946 5.492 1.00 0.00 C ATOM 664 O PHE A 42 -11.186 -2.490 5.441 1.00 0.00 O ATOM 665 CB PHE A 42 -9.751 -0.327 3.602 1.00 0.00 C ATOM 666 CG PHE A 42 -10.059 1.058 3.107 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.217 2.120 3.400 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.197 1.300 2.354 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.504 3.395 2.951 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.488 2.573 1.902 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.642 3.622 2.201 1.00 0.00 C ATOM 0 H PHE A 42 -7.965 0.263 5.229 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.836 0.030 5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.726 -0.583 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.401 -1.040 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.326 1.949 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.864 0.484 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.839 4.213 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.377 2.747 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.869 4.618 1.850 1.00 0.00 H new ATOM 681 N LYS A 43 -8.984 -2.583 5.873 1.00 0.00 N ATOM 682 CA LYS A 43 -9.015 -3.990 6.258 1.00 0.00 C ATOM 683 C LYS A 43 -9.979 -4.220 7.421 1.00 0.00 C ATOM 684 O LYS A 43 -10.692 -5.224 7.446 1.00 0.00 O ATOM 685 CB LYS A 43 -7.611 -4.482 6.627 1.00 0.00 C ATOM 686 CG LYS A 43 -7.341 -5.924 6.223 1.00 0.00 C ATOM 687 CD LYS A 43 -7.420 -6.110 4.713 1.00 0.00 C ATOM 688 CE LYS A 43 -6.396 -5.251 3.987 1.00 0.00 C ATOM 689 NZ LYS A 43 -5.002 -5.599 4.377 1.00 0.00 N ATOM 0 H LYS A 43 -8.062 -2.151 5.924 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.371 -4.562 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.873 -3.837 6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.473 -4.384 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.353 -6.222 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.064 -6.580 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.256 -7.159 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.421 -5.854 4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.514 -5.377 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.583 -4.200 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.336 -4.980 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.886 -5.471 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.809 -6.590 4.128 1.00 0.00 H new ATOM 703 N VAL A 44 -10.003 -3.298 8.387 1.00 0.00 N ATOM 704 CA VAL A 44 -10.906 -3.438 9.526 1.00 0.00 C ATOM 705 C VAL A 44 -12.352 -3.197 9.107 1.00 0.00 C ATOM 706 O VAL A 44 -13.263 -3.850 9.615 1.00 0.00 O ATOM 707 CB VAL A 44 -10.550 -2.493 10.693 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.140 -2.767 11.193 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.711 -1.038 10.286 1.00 0.00 C ATOM 0 H VAL A 44 -9.418 -2.462 8.403 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.789 -4.462 9.879 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.244 -2.687 11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.908 -2.091 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.071 -3.798 11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.429 -2.609 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.454 -0.394 11.127 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.051 -0.820 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.744 -0.855 9.992 1.00 0.00 H new ATOM 719 N PHE A 45 -12.567 -2.256 8.182 1.00 0.00 N ATOM 720 CA PHE A 45 -13.921 -1.974 7.708 1.00 0.00 C ATOM 721 C PHE A 45 -14.536 -3.223 7.087 1.00 0.00 C ATOM 722 O PHE A 45 -15.753 -3.313 6.926 1.00 0.00 O ATOM 723 CB PHE A 45 -13.933 -0.820 6.702 1.00 0.00 C ATOM 724 CG PHE A 45 -13.673 0.523 7.328 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.477 0.989 8.356 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.625 1.316 6.890 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.241 2.221 8.935 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.385 2.550 7.465 1.00 0.00 C ATOM 729 CZ PHE A 45 -13.193 3.002 8.489 1.00 0.00 C ATOM 0 H PHE A 45 -11.835 -1.688 7.755 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.519 -1.674 8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.180 -1.007 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.900 -0.797 6.199 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.298 0.382 8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.989 0.966 6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.875 2.573 9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.566 3.160 7.113 1.00 0.00 H new ATOM 0 HZ PHE A 45 -13.006 3.965 8.941 1.00 0.00 H new ATOM 739 N ASP A 46 -13.683 -4.183 6.738 1.00 0.00 N ATOM 740 CA ASP A 46 -14.139 -5.436 6.152 1.00 0.00 C ATOM 741 C ASP A 46 -14.859 -6.272 7.205 1.00 0.00 C ATOM 742 O ASP A 46 -14.244 -7.079 7.902 1.00 0.00 O ATOM 743 CB ASP A 46 -12.952 -6.216 5.579 1.00 0.00 C ATOM 744 CG ASP A 46 -13.379 -7.420 4.760 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.565 -7.804 4.840 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.526 -7.979 4.039 1.00 0.00 O ATOM 0 H ASP A 46 -12.672 -4.115 6.852 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.833 -5.214 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.354 -5.552 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.312 -6.547 6.397 1.00 0.00 H new ATOM 751 N ARG A 47 -16.166 -6.063 7.315 1.00 0.00 N ATOM 752 CA ARG A 47 -16.988 -6.776 8.288 1.00 0.00 C ATOM 753 C ARG A 47 -16.787 -8.287 8.197 1.00 0.00 C ATOM 754 O ARG A 47 -16.708 -8.971 9.218 1.00 0.00 O ATOM 755 CB ARG A 47 -18.463 -6.436 8.074 1.00 0.00 C ATOM 756 CG ARG A 47 -18.739 -4.943 8.001 1.00 0.00 C ATOM 757 CD ARG A 47 -20.226 -4.663 7.845 1.00 0.00 C ATOM 758 NE ARG A 47 -21.009 -5.241 8.933 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.312 -5.495 8.850 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.976 -5.223 7.734 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.953 -6.023 9.885 1.00 0.00 N ATOM 0 H ARG A 47 -16.683 -5.400 6.738 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.678 -6.456 9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.805 -6.906 7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.048 -6.866 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.368 -4.458 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.195 -4.511 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.391 -3.586 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.573 -5.067 6.894 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.530 -5.463 9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.487 -4.818 6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.975 -5.419 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.446 -6.234 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.952 -6.218 9.821 1.00 0.00 H new ATOM 775 N ASP A 48 -16.706 -8.804 6.976 1.00 0.00 N ATOM 776 CA ASP A 48 -16.522 -10.238 6.767 1.00 0.00 C ATOM 777 C ASP A 48 -15.070 -10.647 6.997 1.00 0.00 C ATOM 778 O ASP A 48 -14.776 -11.818 7.238 1.00 0.00 O ATOM 779 CB ASP A 48 -16.953 -10.626 5.352 1.00 0.00 C ATOM 780 CG ASP A 48 -18.369 -10.183 5.039 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.308 -10.961 5.310 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.539 -9.059 4.521 1.00 0.00 O ATOM 0 H ASP A 48 -16.764 -8.255 6.118 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.145 -10.765 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.268 -10.180 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.879 -11.707 5.236 1.00 0.00 H new ATOM 787 N GLY A 49 -14.169 -9.673 6.924 1.00 0.00 N ATOM 788 CA GLY A 49 -12.757 -9.940 7.136 1.00 0.00 C ATOM 789 C GLY A 49 -12.195 -10.967 6.171 1.00 0.00 C ATOM 790 O GLY A 49 -11.127 -11.530 6.412 1.00 0.00 O ATOM 0 H GLY A 49 -14.392 -8.699 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.198 -9.010 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.609 -10.290 8.157 1.00 0.00 H new ATOM 794 N ASN A 50 -12.906 -11.211 5.073 1.00 0.00 N ATOM 795 CA ASN A 50 -12.461 -12.178 4.074 1.00 0.00 C ATOM 796 C ASN A 50 -11.359 -11.593 3.199 1.00 0.00 C ATOM 797 O ASN A 50 -10.931 -12.213 2.225 1.00 0.00 O ATOM 798 CB ASN A 50 -13.637 -12.625 3.204 1.00 0.00 C ATOM 799 CG ASN A 50 -14.517 -11.466 2.777 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.054 -10.334 2.647 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.796 -11.746 2.556 1.00 0.00 N ATOM 0 H ASN A 50 -13.791 -10.753 4.853 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.059 -13.044 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.257 -13.134 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.237 -13.349 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.437 -11.007 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.137 -12.700 2.676 1.00 0.00 H new ATOM 808 N GLY A 51 -10.900 -10.397 3.552 1.00 0.00 N ATOM 809 CA GLY A 51 -9.853 -9.748 2.787 1.00 0.00 C ATOM 810 C GLY A 51 -10.408 -8.853 1.699 1.00 0.00 C ATOM 811 O GLY A 51 -9.686 -8.037 1.126 1.00 0.00 O ATOM 0 H GLY A 51 -11.235 -9.865 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.229 -9.157 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.210 -10.506 2.339 1.00 0.00 H new ATOM 815 N PHE A 52 -11.698 -9.007 1.413 1.00 0.00 N ATOM 816 CA PHE A 52 -12.356 -8.205 0.389 1.00 0.00 C ATOM 817 C PHE A 52 -13.450 -7.340 1.007 1.00 0.00 C ATOM 818 O PHE A 52 -14.196 -7.793 1.875 1.00 0.00 O ATOM 819 CB PHE A 52 -12.954 -9.107 -0.692 1.00 0.00 C ATOM 820 CG PHE A 52 -12.091 -10.290 -1.035 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.036 -10.162 -1.924 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.338 -11.530 -0.467 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.243 -11.250 -2.239 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.549 -12.620 -0.778 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.500 -12.481 -1.665 1.00 0.00 C ATOM 0 H PHE A 52 -12.308 -9.680 1.877 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.610 -7.554 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.928 -9.464 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.122 -8.517 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.831 -9.203 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.157 -11.645 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.423 -11.138 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.752 -13.580 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.882 -13.332 -1.910 1.00 0.00 H new ATOM 835 N ILE A 53 -13.541 -6.096 0.555 1.00 0.00 N ATOM 836 CA ILE A 53 -14.539 -5.167 1.071 1.00 0.00 C ATOM 837 C ILE A 53 -15.658 -4.936 0.059 1.00 0.00 C ATOM 838 O ILE A 53 -15.420 -4.442 -1.044 1.00 0.00 O ATOM 839 CB ILE A 53 -13.897 -3.816 1.439 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.799 -4.023 2.485 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.949 -2.846 1.955 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.749 -2.937 2.479 1.00 0.00 C ATOM 0 H ILE A 53 -12.936 -5.707 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.963 -5.618 1.968 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.450 -3.387 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.255 -4.071 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.317 -4.985 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.476 -1.898 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.701 -2.681 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.425 -3.264 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.003 -3.148 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.267 -2.903 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.219 -1.975 2.685 1.00 0.00 H new ATOM 854 N SER A 54 -16.879 -5.299 0.445 1.00 0.00 N ATOM 855 CA SER A 54 -18.039 -5.131 -0.423 1.00 0.00 C ATOM 856 C SER A 54 -18.456 -3.665 -0.484 1.00 0.00 C ATOM 857 O SER A 54 -17.832 -2.811 0.144 1.00 0.00 O ATOM 858 CB SER A 54 -19.205 -5.988 0.076 1.00 0.00 C ATOM 859 OG SER A 54 -20.314 -5.905 -0.802 1.00 0.00 O ATOM 0 H SER A 54 -17.089 -5.711 1.354 1.00 0.00 H new ATOM 0 HA SER A 54 -17.766 -5.457 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.885 -7.026 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.501 -5.659 1.072 1.00 0.00 H new ATOM 0 HG SER A 54 -21.044 -6.463 -0.461 1.00 0.00 H new ATOM 865 N LYS A 55 -19.508 -3.376 -1.243 1.00 0.00 N ATOM 866 CA LYS A 55 -19.997 -2.008 -1.375 1.00 0.00 C ATOM 867 C LYS A 55 -20.559 -1.494 -0.051 1.00 0.00 C ATOM 868 O LYS A 55 -20.218 -0.398 0.395 1.00 0.00 O ATOM 869 CB LYS A 55 -21.078 -1.926 -2.459 1.00 0.00 C ATOM 870 CG LYS A 55 -20.595 -2.319 -3.849 1.00 0.00 C ATOM 871 CD LYS A 55 -20.641 -3.825 -4.063 1.00 0.00 C ATOM 872 CE LYS A 55 -22.071 -4.346 -4.084 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.122 -5.812 -4.336 1.00 0.00 N ATOM 0 H LYS A 55 -20.037 -4.068 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.153 -1.381 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.909 -2.573 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.465 -0.908 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.213 -1.827 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.575 -1.963 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.149 -4.074 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.084 -4.323 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.553 -4.124 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.636 -3.825 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.113 -6.129 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.685 -6.021 -5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.604 -6.312 -3.585 1.00 0.00 H new ATOM 887 N GLN A 56 -21.420 -2.295 0.571 1.00 0.00 N ATOM 888 CA GLN A 56 -22.041 -1.923 1.839 1.00 0.00 C ATOM 889 C GLN A 56 -20.992 -1.642 2.911 1.00 0.00 C ATOM 890 O GLN A 56 -21.155 -0.737 3.730 1.00 0.00 O ATOM 891 CB GLN A 56 -22.989 -3.028 2.312 1.00 0.00 C ATOM 892 CG GLN A 56 -24.267 -3.136 1.493 1.00 0.00 C ATOM 893 CD GLN A 56 -24.010 -3.502 0.044 1.00 0.00 C ATOM 894 OE1 GLN A 56 -23.873 -2.490 -0.807 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -23.939 -4.679 -0.308 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.704 -3.208 0.216 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.611 -1.008 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.465 -3.983 2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.251 -2.847 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.918 -3.886 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.800 -2.186 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -24.050 -5.424 0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -23.769 -4.909 -1.287 1.00 0.00 H new ATOM 904 N GLU A 57 -19.916 -2.424 2.902 1.00 0.00 N ATOM 905 CA GLU A 57 -18.840 -2.257 3.874 1.00 0.00 C ATOM 906 C GLU A 57 -18.017 -1.012 3.556 1.00 0.00 C ATOM 907 O GLU A 57 -17.708 -0.212 4.441 1.00 0.00 O ATOM 908 CB GLU A 57 -17.939 -3.494 3.878 1.00 0.00 C ATOM 909 CG GLU A 57 -18.686 -4.788 4.167 1.00 0.00 C ATOM 910 CD GLU A 57 -17.840 -6.021 3.912 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.994 -6.350 4.770 1.00 0.00 O ATOM 912 OE2 GLU A 57 -18.023 -6.658 2.854 1.00 0.00 O ATOM 0 H GLU A 57 -19.766 -3.179 2.233 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.283 -2.136 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.445 -3.577 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.156 -3.361 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.017 -4.788 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.582 -4.832 3.547 1.00 0.00 H new ATOM 919 N LEU A 58 -17.665 -0.861 2.284 1.00 0.00 N ATOM 920 CA LEU A 58 -16.884 0.284 1.832 1.00 0.00 C ATOM 921 C LEU A 58 -17.641 1.581 2.105 1.00 0.00 C ATOM 922 O LEU A 58 -17.043 2.646 2.249 1.00 0.00 O ATOM 923 CB LEU A 58 -16.582 0.140 0.333 1.00 0.00 C ATOM 924 CG LEU A 58 -15.356 0.899 -0.199 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.650 2.384 -0.341 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.147 0.677 0.698 1.00 0.00 C ATOM 0 H LEU A 58 -17.909 -1.520 1.545 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.943 0.317 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.449 -0.919 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.457 0.474 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.125 0.503 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.765 2.896 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.477 2.526 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.920 2.796 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.293 1.225 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.370 1.034 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.911 -0.387 0.734 1.00 0.00 H new ATOM 938 N GLY A 59 -18.965 1.476 2.192 1.00 0.00 N ATOM 939 CA GLY A 59 -19.786 2.643 2.454 1.00 0.00 C ATOM 940 C GLY A 59 -19.553 3.195 3.844 1.00 0.00 C ATOM 941 O GLY A 59 -19.869 4.351 4.126 1.00 0.00 O ATOM 0 H GLY A 59 -19.482 0.603 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.567 3.414 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.838 2.381 2.339 1.00 0.00 H new ATOM 945 N THR A 60 -18.993 2.360 4.714 1.00 0.00 N ATOM 946 CA THR A 60 -18.701 2.756 6.084 1.00 0.00 C ATOM 947 C THR A 60 -17.334 3.426 6.163 1.00 0.00 C ATOM 948 O THR A 60 -17.092 4.277 7.021 1.00 0.00 O ATOM 949 CB THR A 60 -18.730 1.546 7.037 1.00 0.00 C ATOM 950 OG1 THR A 60 -19.996 0.882 6.946 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.484 1.977 8.476 1.00 0.00 C ATOM 0 H THR A 60 -18.732 1.400 4.491 1.00 0.00 H new ATOM 0 HA THR A 60 -19.473 3.461 6.393 1.00 0.00 H new ATOM 0 HB THR A 60 -17.935 0.862 6.740 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.006 0.113 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.510 1.103 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.508 2.456 8.550 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.258 2.681 8.782 1.00 0.00 H new ATOM 959 N ALA A 61 -16.443 3.033 5.258 1.00 0.00 N ATOM 960 CA ALA A 61 -15.097 3.592 5.212 1.00 0.00 C ATOM 961 C ALA A 61 -15.120 5.060 4.797 1.00 0.00 C ATOM 962 O ALA A 61 -14.415 5.889 5.374 1.00 0.00 O ATOM 963 CB ALA A 61 -14.227 2.788 4.256 1.00 0.00 C ATOM 0 H ALA A 61 -16.630 2.328 4.545 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.674 3.534 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.224 3.215 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.172 1.754 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.660 2.819 3.256 1.00 0.00 H new ATOM 969 N MET A 62 -15.934 5.374 3.793 1.00 0.00 N ATOM 970 CA MET A 62 -16.048 6.740 3.293 1.00 0.00 C ATOM 971 C MET A 62 -16.696 7.663 4.325 1.00 0.00 C ATOM 972 O MET A 62 -16.172 8.737 4.622 1.00 0.00 O ATOM 973 CB MET A 62 -16.861 6.762 1.996 1.00 0.00 C ATOM 974 CG MET A 62 -16.187 6.032 0.845 1.00 0.00 C ATOM 975 SD MET A 62 -14.632 6.798 0.347 1.00 0.00 S ATOM 976 CE MET A 62 -15.216 8.363 -0.298 1.00 0.00 C ATOM 0 H MET A 62 -16.526 4.699 3.309 1.00 0.00 H new ATOM 0 HA MET A 62 -15.040 7.106 3.097 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.836 6.311 2.180 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.038 7.797 1.705 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.001 4.998 1.136 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.864 6.006 -0.009 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.444 8.809 -0.924 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.115 8.199 -0.892 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.445 9.035 0.529 1.00 0.00 H new ATOM 986 N ARG A 63 -17.834 7.239 4.868 1.00 0.00 N ATOM 987 CA ARG A 63 -18.554 8.035 5.860 1.00 0.00 C ATOM 988 C ARG A 63 -17.696 8.277 7.098 1.00 0.00 C ATOM 989 O ARG A 63 -17.868 9.274 7.798 1.00 0.00 O ATOM 990 CB ARG A 63 -19.861 7.345 6.256 1.00 0.00 C ATOM 991 CG ARG A 63 -19.661 6.012 6.958 1.00 0.00 C ATOM 992 CD ARG A 63 -20.988 5.382 7.348 1.00 0.00 C ATOM 993 NE ARG A 63 -21.765 6.241 8.237 1.00 0.00 N ATOM 994 CZ ARG A 63 -23.038 6.020 8.553 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.677 4.970 8.053 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.674 6.848 9.369 1.00 0.00 N ATOM 0 H ARG A 63 -18.278 6.350 4.639 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.786 9.000 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.428 8.008 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.464 7.187 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.114 5.334 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.050 6.157 7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.568 5.173 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.804 4.426 7.838 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.305 7.058 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.192 4.330 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.653 4.803 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.187 7.657 9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.650 6.677 9.610 1.00 0.00 H new ATOM 1010 N SER A 64 -16.781 7.352 7.366 1.00 0.00 N ATOM 1011 CA SER A 64 -15.892 7.466 8.518 1.00 0.00 C ATOM 1012 C SER A 64 -15.122 8.784 8.484 1.00 0.00 C ATOM 1013 O SER A 64 -14.891 9.405 9.521 1.00 0.00 O ATOM 1014 CB SER A 64 -14.914 6.291 8.552 1.00 0.00 C ATOM 1015 OG SER A 64 -14.054 6.376 9.676 1.00 0.00 O ATOM 0 H SER A 64 -16.635 6.515 6.802 1.00 0.00 H new ATOM 0 HA SER A 64 -16.503 7.447 9.420 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.468 5.353 8.584 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.322 6.280 7.637 1.00 0.00 H new ATOM 0 HG SER A 64 -13.193 5.961 9.461 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.728 9.202 7.285 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.982 10.443 7.111 1.00 0.00 C ATOM 1023 C LEU A 65 -14.918 11.649 7.111 1.00 0.00 C ATOM 1024 O LEU A 65 -14.474 12.793 7.203 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.191 10.402 5.803 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.436 9.097 5.539 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.768 9.135 4.174 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.406 8.843 6.631 1.00 0.00 C ATOM 0 H LEU A 65 -14.914 8.698 6.418 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.291 10.543 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -13.878 10.579 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.475 11.224 5.804 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.154 8.277 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.236 8.199 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.526 9.268 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.063 9.965 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.880 7.911 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.691 9.665 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.909 8.771 7.596 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.216 11.382 7.007 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.199 12.451 6.994 1.00 0.00 C ATOM 1042 C GLY A 66 -17.907 12.571 5.658 1.00 0.00 C ATOM 1043 O GLY A 66 -18.534 13.590 5.371 1.00 0.00 O ATOM 0 H GLY A 66 -16.606 10.442 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.936 12.273 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.707 13.395 7.227 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.805 11.528 4.840 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.440 11.519 3.527 1.00 0.00 C ATOM 1049 C TYR A 67 -19.323 10.285 3.363 1.00 0.00 C ATOM 1050 O TYR A 67 -18.853 9.224 2.954 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.379 11.553 2.424 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.358 12.656 2.600 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.586 13.927 2.089 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.168 12.426 3.279 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.657 14.939 2.252 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.235 13.431 3.445 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.484 14.686 2.930 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.558 15.690 3.093 1.00 0.00 O ATOM 0 H TYR A 67 -17.288 10.678 5.064 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.066 12.407 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.864 10.593 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -17.873 11.677 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.503 14.129 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.969 11.445 3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.850 15.923 1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.315 13.235 3.976 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.789 15.347 3.594 1.00 0.00 H new ATOM 1068 N MET A 68 -20.605 10.434 3.683 1.00 0.00 N ATOM 1069 CA MET A 68 -21.555 9.331 3.578 1.00 0.00 C ATOM 1070 C MET A 68 -22.099 9.201 2.152 1.00 0.00 C ATOM 1071 O MET A 68 -22.826 10.075 1.679 1.00 0.00 O ATOM 1072 CB MET A 68 -22.714 9.522 4.563 1.00 0.00 C ATOM 1073 CG MET A 68 -23.335 10.911 4.529 1.00 0.00 C ATOM 1074 SD MET A 68 -22.415 12.115 5.508 1.00 0.00 S ATOM 1075 CE MET A 68 -22.661 11.470 7.160 1.00 0.00 C ATOM 0 H MET A 68 -21.010 11.308 4.017 1.00 0.00 H new ATOM 0 HA MET A 68 -21.024 8.413 3.828 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.487 8.785 4.346 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.356 9.320 5.573 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.388 11.255 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.359 10.855 4.899 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.035 12.263 7.808 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.385 10.655 7.129 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.714 11.099 7.550 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.750 8.108 1.441 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.210 7.870 0.077 1.00 0.00 C ATOM 1087 C PRO A 69 -23.573 7.187 0.042 1.00 0.00 C ATOM 1088 O PRO A 69 -23.932 6.447 0.957 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.136 6.945 -0.516 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.231 6.555 0.616 1.00 0.00 C ATOM 1091 CD PRO A 69 -20.878 7.021 1.892 1.00 0.00 C ATOM 0 HA PRO A 69 -22.337 8.801 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.591 6.064 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.577 7.454 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.082 5.475 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.248 7.010 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.444 6.223 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.140 7.369 2.615 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.325 7.443 -1.023 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.650 6.856 -1.184 1.00 0.00 C ATOM 1101 C ASN A 70 -25.554 5.457 -1.781 1.00 0.00 C ATOM 1102 O ASN A 70 -24.490 5.042 -2.236 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.512 7.747 -2.077 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.430 9.207 -1.678 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.300 9.534 -0.499 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.497 10.092 -2.664 1.00 0.00 N ATOM 0 H ASN A 70 -24.039 8.054 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.113 6.779 -0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.193 7.637 -3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.549 7.416 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.440 11.090 -2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.605 9.775 -3.627 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.669 4.734 -1.777 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.701 3.382 -2.322 1.00 0.00 C ATOM 1115 C GLU A 71 -26.260 3.374 -3.784 1.00 0.00 C ATOM 1116 O GLU A 71 -25.715 2.385 -4.274 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.106 2.784 -2.194 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.185 3.590 -2.903 1.00 0.00 C ATOM 1119 CD GLU A 71 -29.595 4.829 -2.132 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -30.404 4.701 -1.189 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -29.110 5.928 -2.473 1.00 0.00 O ATOM 0 H GLU A 71 -27.560 5.061 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.005 2.771 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.098 1.772 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.361 2.704 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -28.824 3.884 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -30.060 2.959 -3.059 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.496 4.486 -4.474 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.132 4.620 -5.868 1.00 0.00 C ATOM 1130 C VAL A 72 -24.689 5.092 -6.028 1.00 0.00 C ATOM 1131 O VAL A 72 -24.089 4.931 -7.091 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.064 5.615 -6.572 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -28.306 4.913 -7.096 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.445 6.757 -5.638 1.00 0.00 C ATOM 0 H VAL A 72 -26.944 5.313 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.230 3.635 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.527 6.037 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.952 5.638 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.014 4.141 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -28.843 4.456 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.106 7.449 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -27.957 6.356 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.545 7.284 -5.322 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.139 5.677 -4.968 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.769 6.181 -4.997 1.00 0.00 C ATOM 1146 C GLU A 73 -21.760 5.074 -4.697 1.00 0.00 C ATOM 1147 O GLU A 73 -20.778 4.908 -5.418 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.603 7.325 -3.995 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.488 8.526 -4.288 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.228 9.123 -5.658 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -22.334 9.990 -5.768 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -23.916 8.724 -6.620 1.00 0.00 O ATOM 0 H GLU A 73 -24.620 5.814 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.574 6.553 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.827 6.955 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.561 7.645 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.534 8.227 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.323 9.288 -3.527 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.005 4.318 -3.631 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.107 3.234 -3.242 1.00 0.00 C ATOM 1161 C LEU A 74 -20.899 2.245 -4.387 1.00 0.00 C ATOM 1162 O LEU A 74 -19.985 1.422 -4.347 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.642 2.512 -2.001 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.133 2.158 -2.031 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.376 0.913 -2.869 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.657 1.961 -0.616 1.00 0.00 C ATOM 0 H LEU A 74 -22.815 4.435 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.139 3.674 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.072 1.593 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.453 3.138 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.674 2.986 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.441 0.681 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.037 1.089 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.825 0.075 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.717 1.710 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.109 1.151 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.521 2.880 -0.046 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.749 2.331 -5.406 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.653 1.442 -6.559 1.00 0.00 C ATOM 1180 C GLU A 75 -20.670 1.982 -7.597 1.00 0.00 C ATOM 1181 O GLU A 75 -19.922 1.218 -8.208 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.028 1.247 -7.200 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.009 0.488 -6.322 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.350 0.274 -6.997 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.236 1.143 -6.846 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.515 -0.761 -7.676 1.00 0.00 O ATOM 0 H GLU A 75 -22.511 3.007 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.283 0.480 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.449 2.223 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.907 0.712 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.581 -0.479 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.158 1.036 -5.392 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.675 3.299 -7.794 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.786 3.924 -8.769 1.00 0.00 C ATOM 1195 C VAL A 76 -18.358 4.030 -8.242 1.00 0.00 C ATOM 1196 O VAL A 76 -17.402 4.050 -9.017 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.283 5.326 -9.180 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.663 5.238 -9.813 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.300 6.270 -7.988 1.00 0.00 C ATOM 0 H VAL A 76 -21.281 3.950 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.792 3.278 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.589 5.728 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.998 6.236 -10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.617 4.605 -10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.365 4.810 -9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.654 7.251 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.966 5.875 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.292 6.362 -7.582 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.220 4.104 -6.926 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.907 4.204 -6.299 1.00 0.00 C ATOM 1211 C ILE A 77 -16.240 2.833 -6.191 1.00 0.00 C ATOM 1212 O ILE A 77 -15.014 2.728 -6.182 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.009 4.836 -4.898 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.703 6.195 -4.984 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.629 4.979 -4.272 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.684 6.443 -3.862 1.00 0.00 C ATOM 0 H ILE A 77 -19.001 4.097 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.295 4.845 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.603 4.180 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.948 6.981 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.227 6.267 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.723 5.427 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.166 3.996 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.008 5.616 -4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.139 7.426 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.461 5.679 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.161 6.404 -2.906 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.057 1.787 -6.115 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.552 0.423 -5.996 1.00 0.00 C ATOM 1230 C ILE A 78 -16.153 -0.158 -7.355 1.00 0.00 C ATOM 1231 O ILE A 78 -15.337 -1.077 -7.426 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.598 -0.496 -5.315 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.559 -0.304 -3.796 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.373 -1.961 -5.674 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.253 -0.736 -3.159 1.00 0.00 C ATOM 0 H ILE A 78 -18.074 1.858 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.659 0.467 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.584 -0.214 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.734 0.747 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.376 -0.868 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.124 -2.576 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.454 -2.088 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.380 -2.268 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.301 -0.570 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.085 -1.795 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.433 -0.154 -3.580 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.703 0.392 -8.433 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.393 -0.105 -9.771 1.00 0.00 C ATOM 1249 C GLN A 79 -15.060 0.449 -10.264 1.00 0.00 C ATOM 1250 O GLN A 79 -14.498 -0.041 -11.243 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.507 0.256 -10.756 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.728 1.751 -10.915 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.718 2.080 -12.016 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.997 2.148 -11.662 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -18.338 2.271 -13.171 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.358 1.173 -8.409 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.316 -1.191 -9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.270 -0.172 -11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.437 -0.205 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.088 2.164 -9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.775 2.234 -11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.346 2.209 -13.398 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.015 2.492 -13.901 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.559 1.472 -9.578 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.289 2.089 -9.946 1.00 0.00 C ATOM 1266 C ARG A 80 -12.116 1.257 -9.438 1.00 0.00 C ATOM 1267 O ARG A 80 -11.055 1.219 -10.060 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.203 3.508 -9.379 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.262 4.453 -9.928 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.090 4.679 -11.422 1.00 0.00 C ATOM 1271 NE ARG A 80 -12.781 5.241 -11.744 1.00 0.00 N ATOM 1272 CZ ARG A 80 -12.296 5.325 -12.980 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.009 4.883 -14.007 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -11.097 5.850 -13.189 1.00 0.00 N ATOM 0 H ARG A 80 -15.012 1.891 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.238 2.136 -11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.297 3.462 -8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.216 3.917 -9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.253 4.043 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.204 5.408 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.218 3.733 -11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.871 5.351 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.206 5.589 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.932 4.477 -13.850 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.635 4.949 -14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.545 6.190 -12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.726 5.914 -14.137 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.317 0.591 -8.305 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.280 -0.243 -7.712 1.00 0.00 C ATOM 1290 C LEU A 81 -11.435 -1.694 -8.153 1.00 0.00 C ATOM 1291 O LEU A 81 -10.453 -2.368 -8.463 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.327 -0.156 -6.183 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.880 1.183 -5.585 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.895 2.276 -5.886 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.670 1.049 -4.085 1.00 0.00 C ATOM 0 H LEU A 81 -13.191 0.614 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.314 0.126 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.347 -0.358 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.698 -0.946 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.933 1.464 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.556 3.217 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.997 2.390 -6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.860 2.005 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.353 2.008 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.604 0.743 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.903 0.300 -3.891 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.678 -2.167 -8.176 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.972 -3.536 -8.583 1.00 0.00 C ATOM 1309 C ASP A 82 -12.745 -3.712 -10.083 1.00 0.00 C ATOM 1310 O ASP A 82 -13.687 -3.660 -10.875 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.414 -3.891 -8.217 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.766 -5.324 -8.554 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.903 -6.208 -8.369 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.909 -5.563 -8.996 1.00 0.00 O ATOM 0 H ASP A 82 -13.499 -1.620 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.297 -4.210 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.565 -3.725 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.094 -3.221 -8.743 1.00 0.00 H new ATOM 1319 N MET A 83 -11.487 -3.916 -10.465 1.00 0.00 N ATOM 1320 CA MET A 83 -11.124 -4.085 -11.870 1.00 0.00 C ATOM 1321 C MET A 83 -11.560 -5.444 -12.412 1.00 0.00 C ATOM 1322 O MET A 83 -12.090 -5.535 -13.520 1.00 0.00 O ATOM 1323 CB MET A 83 -9.613 -3.918 -12.047 1.00 0.00 C ATOM 1324 CG MET A 83 -9.101 -2.545 -11.643 1.00 0.00 C ATOM 1325 SD MET A 83 -7.328 -2.357 -11.913 1.00 0.00 S ATOM 1326 CE MET A 83 -6.677 -3.593 -10.792 1.00 0.00 C ATOM 0 H MET A 83 -10.699 -3.968 -9.819 1.00 0.00 H new ATOM 0 HA MET A 83 -11.648 -3.316 -12.438 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.100 -4.676 -11.455 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.356 -4.100 -13.090 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.634 -1.782 -12.210 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.324 -2.374 -10.590 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.598 -3.467 -10.698 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.142 -3.477 -9.813 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.894 -4.588 -11.182 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.336 -6.498 -11.634 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.703 -7.847 -12.056 1.00 0.00 C ATOM 1338 C ASP A 84 -13.218 -8.014 -12.123 1.00 0.00 C ATOM 1339 O ASP A 84 -13.724 -8.905 -12.805 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.101 -8.885 -11.108 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.384 -8.571 -9.655 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -12.572 -8.469 -9.292 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -10.416 -8.429 -8.878 1.00 0.00 O ATOM 0 H ASP A 84 -10.904 -6.446 -10.711 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.300 -8.004 -13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.502 -9.869 -11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.023 -8.933 -11.263 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.937 -7.151 -11.410 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.389 -7.210 -11.413 1.00 0.00 C ATOM 1350 C GLY A 85 -15.946 -8.311 -10.529 1.00 0.00 C ATOM 1351 O GLY A 85 -16.941 -8.945 -10.879 1.00 0.00 O ATOM 0 H GLY A 85 -13.540 -6.412 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.786 -6.251 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.738 -7.362 -12.434 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.315 -8.535 -9.379 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.767 -9.570 -8.453 1.00 0.00 C ATOM 1357 C ASP A 86 -16.739 -8.996 -7.425 1.00 0.00 C ATOM 1358 O ASP A 86 -17.136 -9.683 -6.483 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.575 -10.217 -7.743 1.00 0.00 C ATOM 1360 CG ASP A 86 -14.060 -9.384 -6.584 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -14.597 -9.529 -5.467 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.120 -8.590 -6.793 1.00 0.00 O ATOM 0 H ASP A 86 -14.494 -8.017 -9.067 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.287 -10.333 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.867 -11.201 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.769 -10.370 -8.461 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.117 -7.735 -7.612 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.041 -7.092 -6.694 1.00 0.00 C ATOM 1369 C GLY A 87 -17.356 -6.546 -5.454 1.00 0.00 C ATOM 1370 O GLY A 87 -17.911 -5.699 -4.755 1.00 0.00 O ATOM 0 H GLY A 87 -16.800 -7.147 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.551 -6.278 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.806 -7.808 -6.395 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.148 -7.032 -5.181 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.393 -6.589 -4.014 1.00 0.00 C ATOM 1376 C GLN A 88 -14.016 -6.070 -4.418 1.00 0.00 C ATOM 1377 O GLN A 88 -13.562 -6.295 -5.539 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.254 -7.739 -3.015 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.588 -8.305 -2.560 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.437 -9.536 -1.689 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.492 -10.310 -1.844 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.372 -9.725 -0.765 1.00 0.00 N ATOM 0 H GLN A 88 -15.672 -7.731 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.937 -5.770 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.665 -8.536 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.700 -7.389 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.133 -7.539 -2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.188 -8.556 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.138 -9.058 -0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.324 -10.537 -0.149 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.356 -5.373 -3.496 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.034 -4.815 -3.759 1.00 0.00 C ATOM 1393 C VAL A 89 -10.950 -5.584 -3.009 1.00 0.00 C ATOM 1394 O VAL A 89 -11.049 -5.799 -1.800 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.963 -3.330 -3.359 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.625 -2.730 -3.763 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.115 -2.554 -3.980 1.00 0.00 C ATOM 0 H VAL A 89 -13.716 -5.182 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.862 -4.905 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.052 -3.260 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.594 -1.680 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.819 -3.269 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.501 -2.811 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.048 -1.506 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.062 -2.630 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.062 -2.968 -3.633 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.913 -5.992 -3.736 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.806 -6.736 -3.145 1.00 0.00 C ATOM 1409 C ASP A 90 -7.697 -5.795 -2.683 1.00 0.00 C ATOM 1410 O ASP A 90 -7.513 -4.717 -3.247 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.247 -7.746 -4.149 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.144 -8.602 -3.558 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.465 -9.628 -2.922 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.960 -8.248 -3.733 1.00 0.00 O ATOM 0 H ASP A 90 -9.817 -5.819 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.188 -7.271 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.054 -8.390 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.863 -7.214 -5.019 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.967 -6.208 -1.651 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.877 -5.404 -1.104 1.00 0.00 C ATOM 1421 C PHE A 91 -4.944 -4.903 -2.205 1.00 0.00 C ATOM 1422 O PHE A 91 -4.660 -3.709 -2.287 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.089 -6.219 -0.074 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.980 -5.453 0.596 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.216 -4.210 1.167 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.701 -5.981 0.659 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -3.195 -3.512 1.785 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.677 -5.288 1.277 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.925 -4.052 1.841 1.00 0.00 C ATOM 0 H PHE A 91 -7.111 -7.098 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.314 -4.533 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.777 -6.583 0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.666 -7.095 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.208 -3.784 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.501 -6.947 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.390 -2.545 2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.685 -5.712 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.127 -3.509 2.325 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.476 -5.819 -3.050 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.572 -5.467 -4.143 1.00 0.00 C ATOM 1441 C GLU A 92 -4.145 -4.334 -4.993 1.00 0.00 C ATOM 1442 O GLU A 92 -3.487 -3.320 -5.221 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.302 -6.689 -5.024 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.701 -7.864 -4.268 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.451 -9.063 -5.161 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.375 -9.889 -5.318 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.331 -9.177 -5.703 1.00 0.00 O ATOM 0 H GLU A 92 -4.708 -6.811 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.635 -5.126 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.236 -7.006 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.627 -6.403 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.762 -7.555 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.371 -8.152 -3.458 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.368 -4.514 -5.472 1.00 0.00 N ATOM 1455 CA GLU A 93 -6.021 -3.496 -6.288 1.00 0.00 C ATOM 1456 C GLU A 93 -6.096 -2.166 -5.542 1.00 0.00 C ATOM 1457 O GLU A 93 -6.210 -1.104 -6.155 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.426 -3.955 -6.677 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.443 -5.232 -7.501 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.847 -5.731 -7.773 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.467 -5.257 -8.749 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.329 -6.595 -7.010 1.00 0.00 O ATOM 0 H GLU A 93 -5.928 -5.352 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.428 -3.351 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.012 -4.109 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.915 -3.161 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.934 -5.055 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.882 -6.006 -6.977 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.019 -2.231 -4.215 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.097 -1.036 -3.382 1.00 0.00 C ATOM 1471 C PHE A 94 -4.719 -0.428 -3.119 1.00 0.00 C ATOM 1472 O PHE A 94 -4.598 0.785 -2.948 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.781 -1.366 -2.053 1.00 0.00 C ATOM 1474 CG PHE A 94 -7.007 -0.167 -1.176 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.780 0.897 -1.617 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.446 -0.101 0.090 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.988 2.000 -0.814 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.651 1.002 0.898 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.423 2.054 0.445 1.00 0.00 C ATOM 0 H PHE A 94 -5.903 -3.100 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.686 -0.297 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.740 -1.842 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.173 -2.091 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.224 0.862 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.842 -0.921 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.593 2.821 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.208 1.041 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.584 2.917 1.074 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.684 -1.263 -3.089 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.332 -0.777 -2.828 1.00 0.00 C ATOM 1491 C VAL A 95 -1.755 -0.039 -4.032 1.00 0.00 C ATOM 1492 O VAL A 95 -0.979 0.903 -3.872 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.368 -1.913 -2.428 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.851 -2.603 -1.167 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -1.193 -2.912 -3.559 1.00 0.00 C ATOM 0 H VAL A 95 -3.753 -2.269 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.423 -0.085 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.393 -1.470 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.158 -3.401 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.901 -1.880 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.841 -3.025 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.508 -3.700 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.159 -3.350 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.786 -2.404 -4.433 1.00 0.00 H new ATOM 1505 N THR A 96 -2.130 -0.467 -5.234 1.00 0.00 N ATOM 1506 CA THR A 96 -1.634 0.163 -6.451 1.00 0.00 C ATOM 1507 C THR A 96 -2.337 1.491 -6.720 1.00 0.00 C ATOM 1508 O THR A 96 -1.689 2.498 -7.005 1.00 0.00 O ATOM 1509 CB THR A 96 -1.816 -0.757 -7.675 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.193 -2.024 -7.432 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.217 -0.126 -8.924 1.00 0.00 C ATOM 0 H THR A 96 -2.773 -1.244 -5.390 1.00 0.00 H new ATOM 0 HA THR A 96 -0.571 0.347 -6.295 1.00 0.00 H new ATOM 0 HB THR A 96 -2.884 -0.900 -7.836 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.314 -2.603 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.358 -0.795 -9.773 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.711 0.825 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.151 0.045 -8.770 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.664 1.487 -6.631 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.446 2.696 -6.871 1.00 0.00 C ATOM 1521 C LEU A 97 -4.136 3.765 -5.829 1.00 0.00 C ATOM 1522 O LEU A 97 -4.335 4.957 -6.069 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.942 2.374 -6.860 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.405 1.383 -7.930 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.877 1.052 -7.747 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.156 1.944 -9.324 1.00 0.00 C ATOM 0 H LEU A 97 -4.218 0.664 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.172 3.083 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.204 1.974 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.498 3.303 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.827 0.465 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.190 0.346 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.031 0.608 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.468 1.964 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.492 1.225 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.707 2.877 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.091 2.133 -9.455 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.647 3.331 -4.671 1.00 0.00 N ATOM 1539 CA LEU A 98 -3.307 4.250 -3.590 1.00 0.00 C ATOM 1540 C LEU A 98 -1.802 4.505 -3.547 1.00 0.00 C ATOM 1541 O LEU A 98 -1.345 5.478 -2.947 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.790 3.686 -2.250 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.599 4.608 -1.043 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.778 4.486 -0.091 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -2.299 4.282 -0.322 1.00 0.00 C ATOM 0 H LEU A 98 -3.477 2.348 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.807 5.201 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.849 3.444 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.264 2.751 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.546 5.636 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.627 5.148 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.695 4.766 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.859 3.457 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.180 4.948 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.324 3.248 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.460 4.416 -1.005 1.00 0.00 H new