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+ -164:sc= -0.0193 (180deg=-0.261) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.901 F(o=-7.4!,f=-0.9) USER MOD Single : A 54 SER OG : rot 180:sc= -0.136 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0113 K(o=0.011,f=-3.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -131:sc= 0 (180deg=-1.45!) USER MOD Single : A 64 SER OG : rot -38:sc= 0.893 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 157:sc= -0.186 (180deg=-0.761) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 79 GLN : amide:sc= 0.00479 K(o=0.0048,f=-0.66) USER MOD Single : A 83 MET CE :methyl -135:sc= -0.148 (180deg=-0.504) USER MOD Single : A 88 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.7) USER MOD Single : A 96 THR OG1 : rot 72:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 2.870 1.196 5.146 1.00 0.00 N ATOM 545 CA LEU A 35 2.042 0.290 4.357 1.00 0.00 C ATOM 546 C LEU A 35 1.078 -0.484 5.253 1.00 0.00 C ATOM 547 O LEU A 35 -0.011 -0.865 4.826 1.00 0.00 O ATOM 548 CB LEU A 35 2.920 -0.690 3.574 1.00 0.00 C ATOM 549 CG LEU A 35 2.176 -1.560 2.556 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.241 -0.935 1.170 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.750 -2.969 2.536 1.00 0.00 C ATOM 0 HA LEU A 35 1.462 0.889 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.691 -0.124 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.430 -1.343 4.283 1.00 0.00 H new ATOM 0 HG LEU A 35 1.130 -1.621 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.707 -1.567 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.780 0.053 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.282 -0.842 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.209 -3.572 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.804 -2.929 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.649 -3.417 3.524 1.00 0.00 H new ATOM 563 N GLU A 36 1.490 -0.709 6.496 1.00 0.00 N ATOM 564 CA GLU A 36 0.674 -1.445 7.458 1.00 0.00 C ATOM 565 C GLU A 36 -0.640 -0.720 7.743 1.00 0.00 C ATOM 566 O GLU A 36 -1.679 -1.353 7.928 1.00 0.00 O ATOM 567 CB GLU A 36 1.452 -1.644 8.761 1.00 0.00 C ATOM 568 CG GLU A 36 0.689 -2.432 9.815 1.00 0.00 C ATOM 569 CD GLU A 36 1.513 -2.685 11.063 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.600 -1.774 11.913 1.00 0.00 O ATOM 571 OE2 GLU A 36 2.070 -3.796 11.192 1.00 0.00 O ATOM 0 H GLU A 36 2.387 -0.391 6.863 1.00 0.00 H new ATOM 0 HA GLU A 36 0.437 -2.416 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.387 -2.160 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.715 -0.668 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.216 -1.888 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.373 -3.386 9.393 1.00 0.00 H new ATOM 578 N GLU A 37 -0.587 0.608 7.774 1.00 0.00 N ATOM 579 CA GLU A 37 -1.773 1.415 8.047 1.00 0.00 C ATOM 580 C GLU A 37 -2.748 1.388 6.872 1.00 0.00 C ATOM 581 O GLU A 37 -3.943 1.638 7.040 1.00 0.00 O ATOM 582 CB GLU A 37 -1.368 2.858 8.357 1.00 0.00 C ATOM 583 CG GLU A 37 -2.540 3.757 8.723 1.00 0.00 C ATOM 584 CD GLU A 37 -3.299 3.260 9.937 1.00 0.00 C ATOM 585 OE1 GLU A 37 -2.935 3.652 11.066 1.00 0.00 O ATOM 586 OE2 GLU A 37 -4.258 2.480 9.760 1.00 0.00 O ATOM 0 H GLU A 37 0.263 1.148 7.614 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.277 0.987 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.652 2.857 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.857 3.277 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.173 4.765 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.221 3.823 7.875 1.00 0.00 H new ATOM 593 N ILE A 38 -2.237 1.077 5.685 1.00 0.00 N ATOM 594 CA ILE A 38 -3.067 1.025 4.486 1.00 0.00 C ATOM 595 C ILE A 38 -4.158 -0.029 4.615 1.00 0.00 C ATOM 596 O ILE A 38 -5.345 0.289 4.695 1.00 0.00 O ATOM 597 CB ILE A 38 -2.222 0.707 3.238 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.185 1.803 3.001 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.114 0.540 2.014 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.212 1.470 1.893 1.00 0.00 C ATOM 0 H ILE A 38 -1.253 0.857 5.527 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.524 2.009 4.376 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.697 -0.233 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.698 2.734 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.631 1.976 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.498 0.316 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.815 -0.278 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.668 1.462 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.498 2.288 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.326 0.556 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.758 1.326 0.961 1.00 0.00 H new ATOM 612 N ARG A 39 -3.738 -1.286 4.633 1.00 0.00 N ATOM 613 CA ARG A 39 -4.657 -2.409 4.732 1.00 0.00 C ATOM 614 C ARG A 39 -5.417 -2.402 6.053 1.00 0.00 C ATOM 615 O ARG A 39 -6.633 -2.566 6.067 1.00 0.00 O ATOM 616 CB ARG A 39 -3.887 -3.716 4.551 1.00 0.00 C ATOM 617 CG ARG A 39 -2.959 -4.067 5.697 1.00 0.00 C ATOM 618 CD ARG A 39 -1.574 -3.467 5.512 1.00 0.00 C ATOM 619 NE ARG A 39 -0.830 -4.123 4.441 1.00 0.00 N ATOM 620 CZ ARG A 39 0.209 -4.927 4.650 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.624 -5.177 5.885 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.835 -5.484 3.622 1.00 0.00 N ATOM 0 H ARG A 39 -2.755 -1.555 4.580 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.400 -2.317 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.602 -4.528 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.302 -3.653 3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.387 -3.709 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.877 -5.151 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.667 -2.404 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.016 -3.550 6.444 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.123 -3.956 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.146 -4.752 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.421 -5.794 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.520 -5.296 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.632 -6.100 3.783 1.00 0.00 H new ATOM 636 N GLU A 40 -4.706 -2.193 7.156 1.00 0.00 N ATOM 637 CA GLU A 40 -5.327 -2.177 8.478 1.00 0.00 C ATOM 638 C GLU A 40 -6.531 -1.238 8.510 1.00 0.00 C ATOM 639 O GLU A 40 -7.412 -1.372 9.357 1.00 0.00 O ATOM 640 CB GLU A 40 -4.300 -1.755 9.534 1.00 0.00 C ATOM 641 CG GLU A 40 -4.788 -1.901 10.969 1.00 0.00 C ATOM 642 CD GLU A 40 -5.543 -0.680 11.461 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.945 0.416 11.489 1.00 0.00 O ATOM 644 OE2 GLU A 40 -6.730 -0.822 11.823 1.00 0.00 O ATOM 0 H GLU A 40 -3.699 -2.032 7.162 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.679 -3.184 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.397 -2.352 9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.022 -0.715 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.435 -2.776 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.934 -2.082 11.622 1.00 0.00 H new ATOM 651 N ALA A 41 -6.577 -0.305 7.564 1.00 0.00 N ATOM 652 CA ALA A 41 -7.669 0.662 7.501 1.00 0.00 C ATOM 653 C ALA A 41 -8.924 0.077 6.854 1.00 0.00 C ATOM 654 O ALA A 41 -9.961 -0.075 7.505 1.00 0.00 O ATOM 655 CB ALA A 41 -7.223 1.907 6.749 1.00 0.00 C ATOM 0 H ALA A 41 -5.874 -0.198 6.833 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.927 0.928 8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.045 2.621 6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.375 2.359 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.929 1.634 5.736 1.00 0.00 H new ATOM 661 N PHE A 42 -8.829 -0.260 5.576 1.00 0.00 N ATOM 662 CA PHE A 42 -9.968 -0.796 4.845 1.00 0.00 C ATOM 663 C PHE A 42 -10.292 -2.235 5.248 1.00 0.00 C ATOM 664 O PHE A 42 -11.402 -2.711 5.013 1.00 0.00 O ATOM 665 CB PHE A 42 -9.709 -0.703 3.340 1.00 0.00 C ATOM 666 CG PHE A 42 -10.055 0.642 2.762 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.525 1.804 3.302 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.921 0.744 1.685 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.850 3.041 2.778 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.250 1.979 1.157 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.714 3.128 1.704 1.00 0.00 C ATOM 0 H PHE A 42 -7.976 -0.172 5.024 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.839 -0.193 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.658 -0.916 3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.290 -1.471 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.850 1.742 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.344 -0.151 1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.429 3.938 3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.926 2.045 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.970 4.093 1.293 1.00 0.00 H new ATOM 681 N LYS A 43 -9.334 -2.925 5.860 1.00 0.00 N ATOM 682 CA LYS A 43 -9.553 -4.310 6.272 1.00 0.00 C ATOM 683 C LYS A 43 -10.400 -4.392 7.539 1.00 0.00 C ATOM 684 O LYS A 43 -11.206 -5.311 7.687 1.00 0.00 O ATOM 685 CB LYS A 43 -8.226 -5.050 6.476 1.00 0.00 C ATOM 686 CG LYS A 43 -7.877 -5.988 5.331 1.00 0.00 C ATOM 687 CD LYS A 43 -6.896 -5.357 4.361 1.00 0.00 C ATOM 688 CE LYS A 43 -7.515 -4.206 3.585 1.00 0.00 C ATOM 689 NZ LYS A 43 -8.643 -4.655 2.725 1.00 0.00 N ATOM 0 H LYS A 43 -8.409 -2.555 6.080 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.099 -4.798 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.426 -4.320 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.276 -5.622 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.450 -6.907 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.787 -6.265 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.026 -4.996 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.541 -6.114 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.871 -3.448 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.752 -3.735 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.858 -3.919 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.378 -5.534 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.482 -4.827 3.315 1.00 0.00 H new ATOM 703 N VAL A 44 -10.224 -3.441 8.456 1.00 0.00 N ATOM 704 CA VAL A 44 -11.005 -3.451 9.690 1.00 0.00 C ATOM 705 C VAL A 44 -12.472 -3.163 9.400 1.00 0.00 C ATOM 706 O VAL A 44 -13.356 -3.646 10.110 1.00 0.00 O ATOM 707 CB VAL A 44 -10.480 -2.448 10.737 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.128 -2.892 11.271 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.400 -1.046 10.159 1.00 0.00 C ATOM 0 H VAL A 44 -9.562 -2.670 8.371 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.901 -4.451 10.111 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.186 -2.425 11.568 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.774 -2.172 12.008 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.225 -3.872 11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.414 -2.951 10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.027 -0.360 10.919 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.724 -1.043 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.392 -0.728 9.838 1.00 0.00 H new ATOM 719 N PHE A 45 -12.734 -2.374 8.358 1.00 0.00 N ATOM 720 CA PHE A 45 -14.112 -2.059 7.986 1.00 0.00 C ATOM 721 C PHE A 45 -14.832 -3.319 7.519 1.00 0.00 C ATOM 722 O PHE A 45 -16.061 -3.374 7.500 1.00 0.00 O ATOM 723 CB PHE A 45 -14.161 -0.990 6.890 1.00 0.00 C ATOM 724 CG PHE A 45 -13.703 0.366 7.347 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.336 1.011 8.399 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.640 0.998 6.723 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.916 2.258 8.819 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.215 2.245 7.139 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.855 2.877 8.189 1.00 0.00 C ATOM 0 H PHE A 45 -12.022 -1.947 7.765 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.616 -1.663 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.539 -1.311 6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.182 -0.912 6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.167 0.533 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.137 0.510 5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.418 2.749 9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.384 2.726 6.645 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.526 3.852 8.515 1.00 0.00 H new ATOM 739 N ASP A 46 -14.052 -4.328 7.141 1.00 0.00 N ATOM 740 CA ASP A 46 -14.606 -5.597 6.686 1.00 0.00 C ATOM 741 C ASP A 46 -15.226 -6.352 7.856 1.00 0.00 C ATOM 742 O ASP A 46 -14.542 -7.093 8.562 1.00 0.00 O ATOM 743 CB ASP A 46 -13.516 -6.444 6.027 1.00 0.00 C ATOM 744 CG ASP A 46 -14.044 -7.750 5.467 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.277 -7.948 5.476 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.224 -8.577 5.017 1.00 0.00 O ATOM 0 H ASP A 46 -13.033 -4.290 7.141 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.384 -5.395 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.053 -5.871 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.736 -6.657 6.758 1.00 0.00 H new ATOM 751 N ARG A 47 -16.525 -6.154 8.055 1.00 0.00 N ATOM 752 CA ARG A 47 -17.243 -6.801 9.148 1.00 0.00 C ATOM 753 C ARG A 47 -17.112 -8.319 9.080 1.00 0.00 C ATOM 754 O ARG A 47 -16.991 -8.984 10.110 1.00 0.00 O ATOM 755 CB ARG A 47 -18.718 -6.400 9.116 1.00 0.00 C ATOM 756 CG ARG A 47 -18.935 -4.896 9.104 1.00 0.00 C ATOM 757 CD ARG A 47 -20.399 -4.544 9.308 1.00 0.00 C ATOM 758 NE ARG A 47 -20.921 -5.082 10.560 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.185 -4.949 10.951 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.052 -4.293 10.191 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.583 -5.473 12.102 1.00 0.00 N ATOM 0 H ARG A 47 -17.104 -5.549 7.472 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.798 -6.468 10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.186 -6.834 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.221 -6.825 9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.336 -4.434 9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.589 -4.485 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.516 -3.460 9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.985 -4.932 8.475 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.280 -5.589 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.750 -3.889 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.021 -4.192 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.919 -5.979 12.689 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.553 -5.370 12.401 1.00 0.00 H new ATOM 775 N ASP A 48 -17.133 -8.866 7.868 1.00 0.00 N ATOM 776 CA ASP A 48 -17.016 -10.308 7.683 1.00 0.00 C ATOM 777 C ASP A 48 -15.566 -10.760 7.819 1.00 0.00 C ATOM 778 O ASP A 48 -15.291 -11.936 8.058 1.00 0.00 O ATOM 779 CB ASP A 48 -17.560 -10.715 6.312 1.00 0.00 C ATOM 780 CG ASP A 48 -18.944 -10.157 6.047 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.932 -10.784 6.485 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.039 -9.092 5.400 1.00 0.00 O ATOM 0 H ASP A 48 -17.230 -8.335 7.003 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.605 -10.795 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.877 -10.368 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.592 -11.803 6.246 1.00 0.00 H new ATOM 787 N GLY A 49 -14.643 -9.813 7.668 1.00 0.00 N ATOM 788 CA GLY A 49 -13.229 -10.122 7.780 1.00 0.00 C ATOM 789 C GLY A 49 -12.791 -11.212 6.821 1.00 0.00 C ATOM 790 O GLY A 49 -11.782 -11.877 7.051 1.00 0.00 O ATOM 0 H GLY A 49 -14.851 -8.834 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.648 -9.220 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.009 -10.432 8.801 1.00 0.00 H new ATOM 794 N ASN A 50 -13.546 -11.390 5.742 1.00 0.00 N ATOM 795 CA ASN A 50 -13.232 -12.409 4.748 1.00 0.00 C ATOM 796 C ASN A 50 -12.067 -11.972 3.862 1.00 0.00 C ATOM 797 O ASN A 50 -11.609 -12.728 3.005 1.00 0.00 O ATOM 798 CB ASN A 50 -14.466 -12.716 3.894 1.00 0.00 C ATOM 799 CG ASN A 50 -15.272 -11.474 3.555 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.594 -10.341 3.413 1.00 0.00 O flip ATOM 801 ND2 ASN A 50 -16.495 -11.531 3.423 1.00 0.00 N flip ATOM 0 H ASN A 50 -14.380 -10.841 5.534 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.934 -13.316 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.151 -13.202 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.103 -13.423 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.980 -12.421 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -17.023 -10.688 3.197 1.00 0.00 H new ATOM 808 N GLY A 51 -11.594 -10.746 4.077 1.00 0.00 N ATOM 809 CA GLY A 51 -10.483 -10.229 3.298 1.00 0.00 C ATOM 810 C GLY A 51 -10.936 -9.353 2.145 1.00 0.00 C ATOM 811 O GLY A 51 -10.117 -8.713 1.487 1.00 0.00 O ATOM 0 H GLY A 51 -11.961 -10.102 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.824 -9.654 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.898 -11.062 2.908 1.00 0.00 H new ATOM 815 N PHE A 52 -12.242 -9.327 1.903 1.00 0.00 N ATOM 816 CA PHE A 52 -12.802 -8.525 0.821 1.00 0.00 C ATOM 817 C PHE A 52 -13.827 -7.531 1.360 1.00 0.00 C ATOM 818 O PHE A 52 -14.503 -7.799 2.354 1.00 0.00 O ATOM 819 CB PHE A 52 -13.455 -9.427 -0.227 1.00 0.00 C ATOM 820 CG PHE A 52 -12.705 -10.705 -0.473 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.598 -10.727 -1.307 1.00 0.00 C ATOM 822 CD2 PHE A 52 -13.107 -11.885 0.131 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.907 -11.902 -1.532 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.420 -13.062 -0.091 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.319 -13.072 -0.923 1.00 0.00 C ATOM 0 H PHE A 52 -12.932 -9.851 2.441 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.989 -7.969 0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.469 -9.667 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.538 -8.878 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.272 -9.816 -1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.968 -11.884 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.046 -11.906 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.744 -13.975 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.781 -13.992 -1.098 1.00 0.00 H new ATOM 835 N ILE A 53 -13.940 -6.385 0.696 1.00 0.00 N ATOM 836 CA ILE A 53 -14.882 -5.353 1.114 1.00 0.00 C ATOM 837 C ILE A 53 -15.996 -5.172 0.087 1.00 0.00 C ATOM 838 O ILE A 53 -15.735 -4.986 -1.101 1.00 0.00 O ATOM 839 CB ILE A 53 -14.172 -4.003 1.331 1.00 0.00 C ATOM 840 CG1 ILE A 53 -13.033 -4.153 2.343 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.164 -2.948 1.798 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.912 -3.163 2.130 1.00 0.00 C ATOM 0 H ILE A 53 -13.393 -6.148 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.316 -5.684 2.057 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.748 -3.680 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.432 -4.029 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.632 -5.165 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.645 -2.001 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.942 -2.822 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.617 -3.265 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.138 -3.323 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.488 -3.302 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.300 -2.149 2.221 1.00 0.00 H new ATOM 854 N SER A 54 -17.237 -5.222 0.560 1.00 0.00 N ATOM 855 CA SER A 54 -18.398 -5.061 -0.309 1.00 0.00 C ATOM 856 C SER A 54 -18.853 -3.606 -0.332 1.00 0.00 C ATOM 857 O SER A 54 -18.233 -2.748 0.295 1.00 0.00 O ATOM 858 CB SER A 54 -19.542 -5.962 0.163 1.00 0.00 C ATOM 859 OG SER A 54 -20.641 -5.903 -0.729 1.00 0.00 O ATOM 0 H SER A 54 -17.465 -5.373 1.543 1.00 0.00 H new ATOM 0 HA SER A 54 -18.113 -5.352 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.190 -6.990 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.862 -5.657 1.159 1.00 0.00 H new ATOM 0 HG SER A 54 -21.357 -6.489 -0.405 1.00 0.00 H new ATOM 865 N LYS A 55 -19.930 -3.329 -1.058 1.00 0.00 N ATOM 866 CA LYS A 55 -20.457 -1.973 -1.155 1.00 0.00 C ATOM 867 C LYS A 55 -20.935 -1.465 0.203 1.00 0.00 C ATOM 868 O LYS A 55 -20.598 -0.356 0.615 1.00 0.00 O ATOM 869 CB LYS A 55 -21.613 -1.920 -2.156 1.00 0.00 C ATOM 870 CG LYS A 55 -21.187 -2.081 -3.608 1.00 0.00 C ATOM 871 CD LYS A 55 -20.886 -3.532 -3.955 1.00 0.00 C ATOM 872 CE LYS A 55 -22.146 -4.385 -3.940 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.872 -5.791 -4.343 1.00 0.00 N ATOM 0 H LYS A 55 -20.455 -4.025 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.648 -1.329 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.329 -2.704 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -22.132 -0.968 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.976 -1.708 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.303 -1.472 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.424 -3.582 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.165 -3.935 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.580 -4.372 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.885 -3.952 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.756 -6.338 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.481 -5.806 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.186 -6.213 -3.685 1.00 0.00 H new ATOM 887 N GLN A 56 -21.719 -2.288 0.894 1.00 0.00 N ATOM 888 CA GLN A 56 -22.261 -1.920 2.199 1.00 0.00 C ATOM 889 C GLN A 56 -21.155 -1.677 3.221 1.00 0.00 C ATOM 890 O GLN A 56 -21.311 -0.862 4.130 1.00 0.00 O ATOM 891 CB GLN A 56 -23.213 -3.004 2.707 1.00 0.00 C ATOM 892 CG GLN A 56 -24.559 -3.014 1.998 1.00 0.00 C ATOM 893 CD GLN A 56 -24.450 -3.396 0.534 1.00 0.00 C ATOM 894 OE1 GLN A 56 -23.594 -4.193 0.150 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.316 -2.820 -0.293 1.00 0.00 N ATOM 0 H GLN A 56 -21.994 -3.216 0.571 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.812 -0.988 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.740 -3.978 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.376 -2.861 3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -25.225 -3.714 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -25.014 -2.027 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -26.009 -2.165 0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.288 -3.033 -1.290 1.00 0.00 H new ATOM 904 N GLU A 57 -20.040 -2.385 3.072 1.00 0.00 N ATOM 905 CA GLU A 57 -18.918 -2.235 3.993 1.00 0.00 C ATOM 906 C GLU A 57 -18.116 -0.977 3.669 1.00 0.00 C ATOM 907 O GLU A 57 -17.815 -0.172 4.552 1.00 0.00 O ATOM 908 CB GLU A 57 -18.015 -3.470 3.940 1.00 0.00 C ATOM 909 CG GLU A 57 -18.734 -4.763 4.296 1.00 0.00 C ATOM 910 CD GLU A 57 -17.818 -5.972 4.279 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.386 -6.374 3.179 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.537 -6.520 5.364 1.00 0.00 O ATOM 0 H GLU A 57 -19.889 -3.065 2.327 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.316 -2.137 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.595 -3.561 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.178 -3.328 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.179 -4.665 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.552 -4.923 3.593 1.00 0.00 H new ATOM 919 N LEU A 58 -17.768 -0.816 2.395 1.00 0.00 N ATOM 920 CA LEU A 58 -17.007 0.347 1.954 1.00 0.00 C ATOM 921 C LEU A 58 -17.788 1.629 2.222 1.00 0.00 C ATOM 922 O LEU A 58 -17.211 2.713 2.312 1.00 0.00 O ATOM 923 CB LEU A 58 -16.686 0.243 0.461 1.00 0.00 C ATOM 924 CG LEU A 58 -15.661 1.255 -0.049 1.00 0.00 C ATOM 925 CD1 LEU A 58 -14.250 0.731 0.158 1.00 0.00 C ATOM 926 CD2 LEU A 58 -15.907 1.575 -1.515 1.00 0.00 C ATOM 0 H LEU A 58 -18.001 -1.475 1.652 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.074 0.375 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.318 -0.762 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.610 0.367 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.772 2.176 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.532 1.464 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.079 0.557 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.126 -0.205 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.167 2.297 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.825 0.662 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.906 1.995 -1.633 1.00 0.00 H new ATOM 938 N GLY A 59 -19.106 1.493 2.350 1.00 0.00 N ATOM 939 CA GLY A 59 -19.949 2.645 2.607 1.00 0.00 C ATOM 940 C GLY A 59 -19.700 3.236 3.979 1.00 0.00 C ATOM 941 O GLY A 59 -20.020 4.397 4.233 1.00 0.00 O ATOM 0 H GLY A 59 -19.603 0.605 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.767 3.404 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.996 2.354 2.522 1.00 0.00 H new ATOM 945 N THR A 60 -19.125 2.429 4.866 1.00 0.00 N ATOM 946 CA THR A 60 -18.821 2.868 6.220 1.00 0.00 C ATOM 947 C THR A 60 -17.457 3.547 6.263 1.00 0.00 C ATOM 948 O THR A 60 -17.211 4.426 7.088 1.00 0.00 O ATOM 949 CB THR A 60 -18.829 1.688 7.210 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.053 0.953 7.084 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.673 2.178 8.642 1.00 0.00 C ATOM 0 H THR A 60 -18.860 1.464 4.668 1.00 0.00 H new ATOM 0 HA THR A 60 -19.596 3.576 6.515 1.00 0.00 H new ATOM 0 HB THR A 60 -17.987 1.039 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.051 0.203 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.682 1.326 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.728 2.713 8.743 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.497 2.847 8.889 1.00 0.00 H new ATOM 959 N ALA A 61 -16.572 3.123 5.366 1.00 0.00 N ATOM 960 CA ALA A 61 -15.230 3.689 5.287 1.00 0.00 C ATOM 961 C ALA A 61 -15.271 5.133 4.797 1.00 0.00 C ATOM 962 O ALA A 61 -14.675 6.023 5.405 1.00 0.00 O ATOM 963 CB ALA A 61 -14.358 2.847 4.369 1.00 0.00 C ATOM 0 H ALA A 61 -16.760 2.389 4.683 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.800 3.683 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.359 3.280 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.294 1.831 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.795 2.826 3.371 1.00 0.00 H new ATOM 969 N MET A 62 -15.975 5.355 3.691 1.00 0.00 N ATOM 970 CA MET A 62 -16.093 6.688 3.104 1.00 0.00 C ATOM 971 C MET A 62 -16.677 7.695 4.093 1.00 0.00 C ATOM 972 O MET A 62 -16.135 8.787 4.265 1.00 0.00 O ATOM 973 CB MET A 62 -16.958 6.636 1.845 1.00 0.00 C ATOM 974 CG MET A 62 -16.283 5.938 0.675 1.00 0.00 C ATOM 975 SD MET A 62 -14.799 6.799 0.119 1.00 0.00 S ATOM 976 CE MET A 62 -14.296 5.759 -1.249 1.00 0.00 C ATOM 0 H MET A 62 -16.475 4.627 3.181 1.00 0.00 H new ATOM 0 HA MET A 62 -15.088 7.020 2.843 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.891 6.122 2.076 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.219 7.653 1.550 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.021 4.920 0.965 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.987 5.862 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.236 5.523 -1.156 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.876 4.836 -1.237 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.470 6.284 -2.188 1.00 0.00 H new ATOM 986 N ARG A 63 -17.783 7.332 4.738 1.00 0.00 N ATOM 987 CA ARG A 63 -18.427 8.223 5.700 1.00 0.00 C ATOM 988 C ARG A 63 -17.476 8.564 6.844 1.00 0.00 C ATOM 989 O ARG A 63 -17.627 9.592 7.505 1.00 0.00 O ATOM 990 CB ARG A 63 -19.710 7.593 6.252 1.00 0.00 C ATOM 991 CG ARG A 63 -19.466 6.439 7.209 1.00 0.00 C ATOM 992 CD ARG A 63 -20.743 6.032 7.924 1.00 0.00 C ATOM 993 NE ARG A 63 -20.499 5.018 8.945 1.00 0.00 N ATOM 994 CZ ARG A 63 -21.309 4.800 9.978 1.00 0.00 C ATOM 995 NH1 ARG A 63 -22.411 5.523 10.125 1.00 0.00 N ATOM 996 NH2 ARG A 63 -21.015 3.859 10.865 1.00 0.00 N ATOM 0 H ARG A 63 -18.249 6.433 4.613 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.689 9.144 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.289 8.361 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.317 7.239 5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.068 5.586 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.712 6.726 7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.195 6.910 8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.459 5.649 7.197 1.00 0.00 H new ATOM 0 HE ARG A 63 -19.660 4.444 8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.640 6.248 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.030 5.354 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.168 3.302 10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.636 3.692 11.657 1.00 0.00 H new ATOM 1010 N SER A 64 -16.496 7.695 7.070 1.00 0.00 N ATOM 1011 CA SER A 64 -15.514 7.901 8.128 1.00 0.00 C ATOM 1012 C SER A 64 -14.438 8.887 7.684 1.00 0.00 C ATOM 1013 O SER A 64 -13.396 9.019 8.326 1.00 0.00 O ATOM 1014 CB SER A 64 -14.874 6.569 8.524 1.00 0.00 C ATOM 1015 OG SER A 64 -13.981 6.734 9.612 1.00 0.00 O ATOM 0 H SER A 64 -16.361 6.839 6.532 1.00 0.00 H new ATOM 0 HA SER A 64 -16.028 8.319 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.652 5.854 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.339 6.151 7.671 1.00 0.00 H new ATOM 0 HG SER A 64 -13.494 7.578 9.510 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.700 9.580 6.578 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.758 10.554 6.038 1.00 0.00 C ATOM 1023 C LEU A 65 -14.395 11.938 5.983 1.00 0.00 C ATOM 1024 O LEU A 65 -13.701 12.952 5.918 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.306 10.135 4.637 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.930 8.659 4.488 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.526 8.355 3.054 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.806 8.291 5.448 1.00 0.00 C ATOM 0 H LEU A 65 -15.560 9.484 6.038 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.889 10.592 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.105 10.363 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.447 10.743 4.353 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.804 8.056 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.262 7.301 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.359 8.577 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.668 8.968 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.554 7.238 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.929 8.901 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.130 8.470 6.473 1.00 0.00 H new ATOM 1040 N GLY A 66 -15.723 11.965 6.008 1.00 0.00 N ATOM 1041 CA GLY A 66 -16.448 13.222 5.956 1.00 0.00 C ATOM 1042 C GLY A 66 -17.321 13.321 4.722 1.00 0.00 C ATOM 1043 O GLY A 66 -17.785 14.403 4.364 1.00 0.00 O ATOM 0 H GLY A 66 -16.313 11.135 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.067 13.321 6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.739 14.050 5.967 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.538 12.182 4.071 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.358 12.126 2.866 1.00 0.00 C ATOM 1049 C TYR A 67 -19.384 11.001 2.972 1.00 0.00 C ATOM 1050 O TYR A 67 -19.024 9.826 3.021 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.475 11.907 1.637 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.286 12.839 1.573 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -15.074 12.493 2.158 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.378 14.066 0.928 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -13.987 13.345 2.103 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.294 14.923 0.868 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.102 14.558 1.457 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.022 15.408 1.401 1.00 0.00 O ATOM 0 H TYR A 67 -17.155 11.282 4.360 1.00 0.00 H new ATOM 0 HA TYR A 67 -18.885 13.075 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.119 10.877 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.078 12.038 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.980 11.543 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.310 14.355 0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.052 13.062 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.381 15.873 0.362 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.269 16.219 0.910 1.00 0.00 H new ATOM 1068 N MET A 68 -20.663 11.369 3.007 1.00 0.00 N ATOM 1069 CA MET A 68 -21.737 10.387 3.113 1.00 0.00 C ATOM 1070 C MET A 68 -22.125 9.840 1.736 1.00 0.00 C ATOM 1071 O MET A 68 -22.699 10.556 0.917 1.00 0.00 O ATOM 1072 CB MET A 68 -22.958 11.013 3.794 1.00 0.00 C ATOM 1073 CG MET A 68 -23.421 12.313 3.153 1.00 0.00 C ATOM 1074 SD MET A 68 -24.722 13.128 4.098 1.00 0.00 S ATOM 1075 CE MET A 68 -23.841 13.539 5.602 1.00 0.00 C ATOM 0 H MET A 68 -20.979 12.338 2.964 1.00 0.00 H new ATOM 0 HA MET A 68 -21.376 9.555 3.718 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.780 10.297 3.775 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.722 11.200 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.571 12.988 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.783 12.108 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.341 14.369 6.101 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.827 12.673 6.264 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.818 13.825 5.358 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.809 8.557 1.458 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.128 7.928 0.182 1.00 0.00 C ATOM 1087 C PRO A 69 -23.498 7.256 0.188 1.00 0.00 C ATOM 1088 O PRO A 69 -23.843 6.539 1.128 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.024 6.885 0.053 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.753 6.452 1.457 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.105 7.618 2.354 1.00 0.00 C ATOM 0 HA PRO A 69 -22.175 8.644 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.341 6.046 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.132 7.306 -0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.348 5.575 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.706 6.173 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.739 7.306 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.214 8.072 2.787 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.276 7.491 -0.864 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.603 6.899 -0.977 1.00 0.00 C ATOM 1101 C ASN A 70 -25.514 5.489 -1.547 1.00 0.00 C ATOM 1102 O ASN A 70 -24.436 5.032 -1.927 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.502 7.754 -1.872 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.468 9.222 -1.501 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -25.603 9.978 -2.167 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -27.214 9.675 -0.633 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.010 8.086 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.035 6.854 0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.190 7.638 -2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.527 7.390 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.864 9.058 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -27.183 10.668 -0.401 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.651 4.804 -1.606 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.699 3.450 -2.140 1.00 0.00 C ATOM 1115 C GLU A 71 -26.409 3.456 -3.638 1.00 0.00 C ATOM 1116 O GLU A 71 -26.106 2.419 -4.229 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.069 2.824 -1.877 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.225 3.635 -2.442 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.570 2.976 -2.206 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.156 3.195 -1.125 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.039 2.244 -3.103 1.00 0.00 O ATOM 0 H GLU A 71 -27.551 5.165 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.936 2.856 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.092 1.824 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.207 2.710 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.225 4.626 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.076 3.776 -3.513 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.510 4.635 -4.245 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.263 4.789 -5.674 1.00 0.00 C ATOM 1130 C VAL A 72 -24.797 5.116 -5.947 1.00 0.00 C ATOM 1131 O VAL A 72 -24.284 4.849 -7.033 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.137 5.905 -6.284 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.605 5.519 -7.678 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.322 6.222 -5.383 1.00 0.00 C ATOM 0 H VAL A 72 -26.762 5.500 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.520 3.837 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.528 6.805 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.220 6.319 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -26.740 5.358 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -28.192 4.602 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.922 7.012 -5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.933 5.328 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.961 6.554 -4.410 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.133 5.694 -4.951 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.730 6.075 -5.082 1.00 0.00 C ATOM 1146 C GLU A 73 -21.799 4.881 -4.888 1.00 0.00 C ATOM 1147 O GLU A 73 -20.915 4.637 -5.706 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.388 7.168 -4.067 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.243 8.417 -4.203 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.086 9.087 -5.555 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.820 8.711 -6.492 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.229 9.988 -5.675 1.00 0.00 O ATOM 0 H GLU A 73 -24.544 5.909 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.583 6.453 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.505 6.766 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.339 7.442 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.290 8.154 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.975 9.124 -3.418 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.002 4.140 -3.802 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.168 2.978 -3.500 1.00 0.00 C ATOM 1161 C LEU A 74 -21.148 1.978 -4.656 1.00 0.00 C ATOM 1162 O LEU A 74 -20.309 1.077 -4.689 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.649 2.297 -2.213 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.165 2.136 -2.077 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.680 1.042 -2.999 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.537 1.835 -0.633 1.00 0.00 C ATOM 0 H LEU A 74 -22.735 4.322 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.148 3.333 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.190 1.310 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.285 2.871 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.636 3.074 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.760 0.947 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.447 1.298 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.203 0.096 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.618 1.723 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.052 0.911 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.208 2.655 0.006 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.071 2.138 -5.600 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.150 1.244 -6.751 1.00 0.00 C ATOM 1180 C GLU A 75 -21.168 1.654 -7.846 1.00 0.00 C ATOM 1181 O GLU A 75 -20.600 0.801 -8.530 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.573 1.225 -7.315 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.599 0.623 -6.370 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.982 0.545 -6.987 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.740 1.531 -6.872 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.306 -0.503 -7.584 1.00 0.00 O ATOM 0 H GLU A 75 -22.774 2.877 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.883 0.244 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.871 2.245 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.577 0.661 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.278 -0.377 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.644 1.221 -5.460 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.969 2.960 -8.013 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.060 3.467 -9.038 1.00 0.00 C ATOM 1195 C VAL A 76 -18.635 3.611 -8.512 1.00 0.00 C ATOM 1196 O VAL A 76 -17.670 3.379 -9.240 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.534 4.826 -9.594 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.913 4.695 -10.221 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.540 5.886 -8.503 1.00 0.00 C ATOM 0 H VAL A 76 -21.423 3.683 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.065 2.731 -9.842 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.833 5.140 -10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.230 5.663 -10.607 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.875 3.973 -11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.624 4.354 -9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.878 6.835 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.214 5.581 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.532 6.003 -8.104 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.508 3.993 -7.247 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.201 4.171 -6.626 1.00 0.00 C ATOM 1211 C ILE A 77 -16.502 2.831 -6.416 1.00 0.00 C ATOM 1212 O ILE A 77 -15.272 2.752 -6.433 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.327 4.912 -5.278 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.741 6.365 -5.516 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.022 4.850 -4.495 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.858 6.830 -4.611 1.00 0.00 C ATOM 0 H ILE A 77 -19.297 4.186 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.598 4.774 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.096 4.418 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.874 7.010 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.053 6.480 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.139 5.380 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.765 3.809 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.226 5.316 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.100 7.869 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.739 6.209 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.542 6.748 -3.571 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.290 1.778 -6.229 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.738 0.446 -6.014 1.00 0.00 C ATOM 1230 C ILE A 78 -16.047 -0.080 -7.267 1.00 0.00 C ATOM 1231 O ILE A 78 -15.014 -0.739 -7.178 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.828 -0.554 -5.558 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.775 -0.732 -4.036 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.681 -1.900 -6.264 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.491 -1.366 -3.539 1.00 0.00 C ATOM 0 H ILE A 78 -18.309 1.821 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.997 0.537 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.800 -0.145 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.896 0.242 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.618 -1.347 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.462 -2.578 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.772 -1.758 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.704 -2.326 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.528 -1.459 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.377 -2.354 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.644 -0.741 -3.821 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.614 0.211 -8.432 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.046 -0.253 -9.692 1.00 0.00 C ATOM 1249 C GLN A 79 -14.625 0.268 -9.884 1.00 0.00 C ATOM 1250 O GLN A 79 -13.752 -0.453 -10.369 1.00 0.00 O ATOM 1251 CB GLN A 79 -16.927 0.190 -10.860 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.360 -0.307 -10.764 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.204 0.118 -11.949 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -18.698 0.281 -13.060 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -20.500 0.300 -11.720 1.00 0.00 N ATOM 0 H GLN A 79 -17.465 0.765 -8.530 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.006 -1.342 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.931 1.279 -10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.489 -0.169 -11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.360 -1.395 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.811 0.071 -9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.878 0.154 -10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -21.117 0.586 -12.480 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.399 1.524 -9.506 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.083 2.142 -9.640 1.00 0.00 C ATOM 1266 C ARG A 80 -11.995 1.263 -9.031 1.00 0.00 C ATOM 1267 O ARG A 80 -11.042 0.879 -9.710 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.073 3.519 -8.971 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.039 4.512 -9.596 1.00 0.00 C ATOM 1270 CD ARG A 80 -13.643 4.855 -11.023 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.491 5.899 -11.590 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.156 6.626 -12.651 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -12.994 6.423 -13.259 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -14.981 7.558 -13.106 1.00 0.00 N ATOM 0 H ARG A 80 -15.111 2.134 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.875 2.257 -10.704 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.320 3.402 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.064 3.929 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.046 4.095 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.065 5.422 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.603 5.182 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.707 3.960 -11.642 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.392 6.081 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.355 5.707 -12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.740 6.983 -14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.875 7.718 -12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.722 8.115 -13.920 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.145 0.948 -7.749 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.175 0.115 -7.047 1.00 0.00 C ATOM 1290 C LEU A 81 -11.292 -1.339 -7.494 1.00 0.00 C ATOM 1291 O LEU A 81 -10.294 -1.985 -7.816 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.383 0.212 -5.531 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.135 1.596 -4.920 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -12.287 2.539 -5.233 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.932 1.483 -3.416 1.00 0.00 C ATOM 0 H LEU A 81 -12.929 1.257 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.177 0.478 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.405 -0.090 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.722 -0.505 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.228 2.008 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.089 3.515 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.387 2.645 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.211 2.134 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.757 2.474 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.822 1.048 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.072 0.846 -3.212 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.520 -1.842 -7.510 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.789 -3.217 -7.915 1.00 0.00 C ATOM 1309 C ASP A 82 -12.690 -3.368 -9.432 1.00 0.00 C ATOM 1310 O ASP A 82 -13.704 -3.419 -10.131 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.177 -3.642 -7.429 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.554 -5.035 -7.889 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.688 -5.933 -7.838 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.718 -5.227 -8.296 1.00 0.00 O ATOM 0 H ASP A 82 -13.352 -1.314 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.038 -3.864 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.204 -3.603 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.919 -2.930 -7.792 1.00 0.00 H new ATOM 1319 N MET A 83 -11.460 -3.432 -9.931 1.00 0.00 N ATOM 1320 CA MET A 83 -11.217 -3.576 -11.363 1.00 0.00 C ATOM 1321 C MET A 83 -11.717 -4.927 -11.872 1.00 0.00 C ATOM 1322 O MET A 83 -12.165 -5.044 -13.012 1.00 0.00 O ATOM 1323 CB MET A 83 -9.725 -3.426 -11.664 1.00 0.00 C ATOM 1324 CG MET A 83 -9.145 -2.092 -11.218 1.00 0.00 C ATOM 1325 SD MET A 83 -7.401 -1.916 -11.640 1.00 0.00 S ATOM 1326 CE MET A 83 -6.677 -3.209 -10.636 1.00 0.00 C ATOM 0 H MET A 83 -10.614 -3.386 -9.364 1.00 0.00 H new ATOM 0 HA MET A 83 -11.768 -2.790 -11.879 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.181 -4.232 -11.172 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.566 -3.542 -12.736 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.710 -1.282 -11.680 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.266 -1.990 -10.139 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.786 -2.827 -10.137 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.399 -3.536 -9.888 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.404 -4.052 -11.270 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.633 -5.943 -11.017 1.00 0.00 N ATOM 1337 CA ASP A 84 -12.074 -7.287 -11.380 1.00 0.00 C ATOM 1338 C ASP A 84 -13.590 -7.346 -11.547 1.00 0.00 C ATOM 1339 O ASP A 84 -14.118 -8.246 -12.200 1.00 0.00 O ATOM 1340 CB ASP A 84 -11.631 -8.299 -10.322 1.00 0.00 C ATOM 1341 CG ASP A 84 -10.136 -8.267 -10.082 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -9.402 -8.968 -10.812 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -9.698 -7.543 -9.164 1.00 0.00 O ATOM 0 H ASP A 84 -11.264 -5.862 -10.069 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.613 -7.540 -12.335 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.151 -8.093 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.924 -9.301 -10.636 1.00 0.00 H new ATOM 1348 N GLY A 85 -14.285 -6.379 -10.952 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.733 -6.334 -11.050 1.00 0.00 C ATOM 1350 C GLY A 85 -16.406 -7.500 -10.351 1.00 0.00 C ATOM 1351 O GLY A 85 -17.501 -7.912 -10.736 1.00 0.00 O ATOM 0 H GLY A 85 -13.870 -5.626 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.093 -5.400 -10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.022 -6.331 -12.101 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.757 -8.030 -9.317 1.00 0.00 N ATOM 1356 CA ASP A 86 -16.302 -9.159 -8.570 1.00 0.00 C ATOM 1357 C ASP A 86 -17.239 -8.686 -7.462 1.00 0.00 C ATOM 1358 O ASP A 86 -17.834 -9.498 -6.752 1.00 0.00 O ATOM 1359 CB ASP A 86 -15.171 -9.996 -7.969 1.00 0.00 C ATOM 1360 CG ASP A 86 -14.308 -9.201 -7.009 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -14.646 -9.152 -5.808 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.295 -8.626 -7.459 1.00 0.00 O ATOM 0 H ASP A 86 -14.855 -7.696 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.873 -9.774 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.596 -10.853 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.548 -10.389 -8.772 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.367 -7.371 -7.318 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.237 -6.817 -6.296 1.00 0.00 C ATOM 1369 C GLY A 87 -17.492 -6.450 -5.027 1.00 0.00 C ATOM 1370 O GLY A 87 -18.036 -5.773 -4.155 1.00 0.00 O ATOM 0 H GLY A 87 -16.884 -6.679 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.734 -5.930 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.017 -7.540 -6.058 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.245 -6.901 -4.922 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.426 -6.613 -3.749 1.00 0.00 C ATOM 1376 C GLN A 88 -14.031 -6.145 -4.155 1.00 0.00 C ATOM 1377 O GLN A 88 -13.520 -6.519 -5.211 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.324 -7.849 -2.853 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.669 -8.341 -2.343 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.571 -9.677 -1.631 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.731 -10.513 -1.965 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.430 -9.882 -0.638 1.00 0.00 N ATOM 0 H GLN A 88 -15.781 -7.466 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.908 -5.810 -3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.839 -8.652 -3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.684 -7.619 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.088 -7.600 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.360 -8.430 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -18.110 -9.161 -0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.410 -10.760 -0.119 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.420 -5.325 -3.305 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.087 -4.798 -3.572 1.00 0.00 C ATOM 1393 C VAL A 89 -11.023 -5.557 -2.787 1.00 0.00 C ATOM 1394 O VAL A 89 -11.144 -5.745 -1.575 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.998 -3.300 -3.223 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.635 -2.740 -3.600 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.110 -2.527 -3.916 1.00 0.00 C ATOM 0 H VAL A 89 -13.828 -5.011 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.904 -4.928 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.122 -3.189 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.594 -1.681 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.858 -3.275 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.475 -2.862 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.033 -1.470 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.018 -2.646 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.077 -2.910 -3.590 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.983 -5.995 -3.491 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.891 -6.733 -2.868 1.00 0.00 C ATOM 1409 C ASP A 90 -7.788 -5.792 -2.390 1.00 0.00 C ATOM 1410 O ASP A 90 -7.607 -4.703 -2.934 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.315 -7.759 -3.847 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.319 -8.836 -4.211 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -9.407 -9.839 -3.473 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -10.016 -8.677 -5.235 1.00 0.00 O ATOM 0 H ASP A 90 -9.874 -5.851 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.294 -7.254 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.988 -7.249 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.432 -8.223 -3.406 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.063 -6.222 -1.362 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.976 -5.432 -0.787 1.00 0.00 C ATOM 1421 C PHE A 91 -5.054 -4.844 -1.857 1.00 0.00 C ATOM 1422 O PHE A 91 -4.879 -3.629 -1.933 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.162 -6.297 0.183 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.828 -5.712 0.554 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.742 -4.450 1.117 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.658 -6.428 0.344 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.520 -3.914 1.461 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.431 -5.892 0.687 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.363 -4.632 1.248 1.00 0.00 C ATOM 0 H PHE A 91 -7.210 -7.122 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.428 -4.596 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.744 -6.452 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.005 -7.278 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.643 -3.879 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.707 -7.415 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.469 -2.928 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.527 -6.458 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.406 -4.211 1.519 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.471 -5.714 -2.677 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.544 -5.290 -3.726 1.00 0.00 C ATOM 1441 C GLU A 92 -4.098 -4.138 -4.565 1.00 0.00 C ATOM 1442 O GLU A 92 -3.427 -3.123 -4.752 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.190 -6.474 -4.624 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.387 -7.546 -3.908 1.00 0.00 C ATOM 1445 CD GLU A 92 -1.880 -8.623 -4.847 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -0.803 -8.427 -5.449 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -2.561 -9.662 -4.980 1.00 0.00 O ATOM 0 H GLU A 92 -4.624 -6.722 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.644 -4.923 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.108 -6.915 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.621 -6.115 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.540 -7.083 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.007 -8.004 -3.137 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.314 -4.298 -5.073 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.940 -3.265 -5.895 1.00 0.00 C ATOM 1456 C GLU A 93 -5.967 -1.912 -5.183 1.00 0.00 C ATOM 1457 O GLU A 93 -5.961 -0.862 -5.829 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.364 -3.679 -6.266 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.433 -4.955 -7.089 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.854 -5.444 -7.285 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.543 -4.923 -8.188 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.277 -6.349 -6.536 1.00 0.00 O ATOM 0 H GLU A 93 -5.886 -5.130 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.341 -3.158 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.944 -3.814 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.834 -2.870 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.975 -4.781 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.849 -5.733 -6.597 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.984 -1.941 -3.854 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.036 -0.713 -3.065 1.00 0.00 C ATOM 1471 C PHE A 94 -4.654 -0.090 -2.873 1.00 0.00 C ATOM 1472 O PHE A 94 -4.479 1.112 -3.079 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.677 -0.988 -1.702 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.829 0.241 -0.850 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.629 1.294 -1.265 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.172 0.343 0.365 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.770 2.425 -0.485 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.310 1.472 1.150 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.109 2.515 0.725 1.00 0.00 C ATOM 0 H PHE A 94 -5.963 -2.798 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.644 0.002 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.658 -1.437 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.072 -1.719 -1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.148 1.229 -2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.545 -0.469 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.396 3.238 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.793 1.539 2.096 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.217 3.399 1.337 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.677 -0.900 -2.475 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.324 -0.395 -2.246 1.00 0.00 C ATOM 1491 C VAL A 95 -1.733 0.254 -3.492 1.00 0.00 C ATOM 1492 O VAL A 95 -0.878 1.133 -3.388 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.358 -1.492 -1.754 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.313 -1.518 -0.236 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -1.747 -2.852 -2.304 1.00 0.00 C ATOM 0 H VAL A 95 -3.793 -1.899 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.430 0.357 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.361 -1.256 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.627 -2.298 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.970 -0.552 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.310 -1.723 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.048 -3.605 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.755 -3.103 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.718 -2.826 -3.393 1.00 0.00 H new ATOM 1505 N THR A 96 -2.174 -0.176 -4.671 1.00 0.00 N ATOM 1506 CA THR A 96 -1.664 0.379 -5.921 1.00 0.00 C ATOM 1507 C THR A 96 -2.212 1.779 -6.184 1.00 0.00 C ATOM 1508 O THR A 96 -1.448 2.719 -6.405 1.00 0.00 O ATOM 1509 CB THR A 96 -2.014 -0.528 -7.117 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.530 -1.856 -6.883 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.413 0.014 -8.407 1.00 0.00 C ATOM 0 H THR A 96 -2.880 -0.903 -4.787 1.00 0.00 H new ATOM 0 HA THR A 96 -0.581 0.439 -5.815 1.00 0.00 H new ATOM 0 HB THR A 96 -3.099 -0.548 -7.221 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.076 -2.286 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.675 -0.644 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.805 1.013 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.328 0.062 -8.311 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.536 1.915 -6.159 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.172 3.206 -6.410 1.00 0.00 C ATOM 1521 C LEU A 97 -3.791 4.228 -5.343 1.00 0.00 C ATOM 1522 O LEU A 97 -3.929 5.434 -5.549 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.695 3.049 -6.478 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.347 2.393 -5.257 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -6.613 3.420 -4.167 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -7.637 1.694 -5.658 1.00 0.00 C ATOM 0 H LEU A 97 -4.186 1.152 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.813 3.574 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.138 4.035 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.943 2.459 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.657 1.649 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.076 2.930 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.672 3.876 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.282 4.191 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.089 1.233 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.329 2.422 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.419 0.926 -6.400 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.309 3.740 -4.204 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.910 4.614 -3.106 1.00 0.00 C ATOM 1540 C LEU A 98 -1.391 4.738 -3.036 1.00 0.00 C ATOM 1541 O LEU A 98 -0.861 5.692 -2.464 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.464 4.079 -1.781 1.00 0.00 C ATOM 1543 CG LEU A 98 -3.140 4.922 -0.545 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -4.315 4.924 0.421 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.889 4.398 0.144 1.00 0.00 C ATOM 0 H LEU A 98 -3.185 2.745 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.323 5.606 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.547 3.994 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.076 3.072 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.955 5.947 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.067 5.528 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.192 5.343 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.529 3.903 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.673 5.009 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.049 3.365 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.047 4.444 -0.547 1.00 0.00 H new