USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 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+ -144:sc= 0.321 (180deg=-0.91!) USER MOD Single : A 50 ASN : amide:sc= -0.98 K(o=-0.98,f=-7.1!) USER MOD Single : A 54 SER OG : rot -111:sc= 0.959 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0986 F(o=-3.7!,f=-0.099) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -113:sc= -0.0818 (180deg=-3.31!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 157:sc= -0.167 (180deg=-0.774) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 83 MET CE :methyl -161:sc= -0.182 (180deg=-0.745) USER MOD Single : A 88 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.8) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 544 N LEU A 35 3.364 0.408 5.720 1.00 0.00 N ATOM 545 CA LEU A 35 2.383 -0.368 4.975 1.00 0.00 C ATOM 546 C LEU A 35 1.207 -0.748 5.868 1.00 0.00 C ATOM 547 O LEU A 35 0.063 -0.799 5.415 1.00 0.00 O ATOM 548 CB LEU A 35 3.019 -1.630 4.392 1.00 0.00 C ATOM 549 CG LEU A 35 2.131 -2.403 3.414 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.157 -1.751 2.040 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.570 -3.856 3.327 1.00 0.00 C ATOM 0 HA LEU A 35 2.019 0.252 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.941 -1.353 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.295 -2.293 5.212 1.00 0.00 H new ATOM 0 HG LEU A 35 1.107 -2.378 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.520 -2.314 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.791 -0.727 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.179 -1.744 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.927 -4.389 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.602 -3.904 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.496 -4.318 4.312 1.00 0.00 H new ATOM 563 N GLU A 36 1.497 -1.016 7.139 1.00 0.00 N ATOM 564 CA GLU A 36 0.464 -1.388 8.100 1.00 0.00 C ATOM 565 C GLU A 36 -0.613 -0.312 8.177 1.00 0.00 C ATOM 566 O GLU A 36 -1.782 -0.607 8.422 1.00 0.00 O ATOM 567 CB GLU A 36 1.074 -1.614 9.485 1.00 0.00 C ATOM 568 CG GLU A 36 2.022 -2.801 9.548 1.00 0.00 C ATOM 569 CD GLU A 36 2.557 -3.047 10.946 1.00 0.00 C ATOM 570 OE1 GLU A 36 3.564 -2.406 11.318 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.972 -3.882 11.668 1.00 0.00 O ATOM 0 H GLU A 36 2.440 -0.982 7.527 1.00 0.00 H new ATOM 0 HA GLU A 36 0.007 -2.317 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.611 -0.715 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.271 -1.763 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.504 -3.694 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.857 -2.631 8.868 1.00 0.00 H new ATOM 578 N GLU A 37 -0.207 0.937 7.967 1.00 0.00 N ATOM 579 CA GLU A 37 -1.136 2.061 8.004 1.00 0.00 C ATOM 580 C GLU A 37 -2.216 1.891 6.942 1.00 0.00 C ATOM 581 O GLU A 37 -3.375 2.246 7.155 1.00 0.00 O ATOM 582 CB GLU A 37 -0.385 3.375 7.783 1.00 0.00 C ATOM 583 CG GLU A 37 0.785 3.574 8.732 1.00 0.00 C ATOM 584 CD GLU A 37 1.506 4.887 8.504 1.00 0.00 C ATOM 585 OE1 GLU A 37 2.450 4.912 7.685 1.00 0.00 O ATOM 586 OE2 GLU A 37 1.126 5.892 9.141 1.00 0.00 O ATOM 0 H GLU A 37 0.760 1.196 7.769 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.611 2.087 8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.019 3.406 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.081 4.206 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.424 3.536 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.490 2.751 8.611 1.00 0.00 H new ATOM 593 N ILE A 38 -1.821 1.341 5.799 1.00 0.00 N ATOM 594 CA ILE A 38 -2.743 1.113 4.694 1.00 0.00 C ATOM 595 C ILE A 38 -3.798 0.079 5.069 1.00 0.00 C ATOM 596 O ILE A 38 -4.998 0.322 4.934 1.00 0.00 O ATOM 597 CB ILE A 38 -1.993 0.633 3.435 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.964 1.682 3.005 1.00 0.00 C ATOM 599 CG2 ILE A 38 -2.974 0.343 2.308 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.090 1.238 1.852 1.00 0.00 C ATOM 0 H ILE A 38 -0.863 1.044 5.614 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.230 2.064 4.479 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.466 -0.292 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.486 2.596 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.330 1.927 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.427 0.005 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.670 -0.434 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.528 1.250 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.614 2.032 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.460 0.341 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.714 1.021 0.985 1.00 0.00 H new ATOM 612 N ARG A 39 -3.338 -1.074 5.539 1.00 0.00 N ATOM 613 CA ARG A 39 -4.232 -2.155 5.932 1.00 0.00 C ATOM 614 C ARG A 39 -5.181 -1.714 7.039 1.00 0.00 C ATOM 615 O ARG A 39 -6.379 -1.604 6.819 1.00 0.00 O ATOM 616 CB ARG A 39 -3.421 -3.367 6.391 1.00 0.00 C ATOM 617 CG ARG A 39 -2.481 -3.899 5.323 1.00 0.00 C ATOM 618 CD ARG A 39 -1.051 -3.981 5.831 1.00 0.00 C ATOM 619 NE ARG A 39 -0.910 -4.951 6.915 1.00 0.00 N ATOM 620 CZ ARG A 39 0.258 -5.293 7.450 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.381 -4.745 7.005 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.305 -6.184 8.431 1.00 0.00 N ATOM 0 H ARG A 39 -2.347 -1.284 5.657 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.830 -2.429 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.841 -3.095 7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.105 -4.161 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.812 -4.887 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.521 -3.252 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.390 -4.257 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.733 -2.998 6.180 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.755 -5.390 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.350 -4.059 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.276 -5.009 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.556 -6.608 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.202 -6.445 8.840 1.00 0.00 H new ATOM 636 N GLU A 40 -4.632 -1.432 8.216 1.00 0.00 N ATOM 637 CA GLU A 40 -5.437 -1.019 9.367 1.00 0.00 C ATOM 638 C GLU A 40 -6.584 -0.089 8.966 1.00 0.00 C ATOM 639 O GLU A 40 -7.634 -0.086 9.603 1.00 0.00 O ATOM 640 CB GLU A 40 -4.553 -0.329 10.409 1.00 0.00 C ATOM 641 CG GLU A 40 -3.492 -1.239 11.008 1.00 0.00 C ATOM 642 CD GLU A 40 -4.087 -2.427 11.741 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.334 -3.464 11.089 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.302 -2.320 12.966 1.00 0.00 O ATOM 0 H GLU A 40 -3.630 -1.481 8.401 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.876 -1.921 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.065 0.529 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.184 0.056 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.837 -1.598 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.873 -0.664 11.697 1.00 0.00 H new ATOM 651 N ALA A 41 -6.390 0.685 7.904 1.00 0.00 N ATOM 652 CA ALA A 41 -7.413 1.618 7.440 1.00 0.00 C ATOM 653 C ALA A 41 -8.630 0.906 6.834 1.00 0.00 C ATOM 654 O ALA A 41 -9.643 0.694 7.506 1.00 0.00 O ATOM 655 CB ALA A 41 -6.814 2.587 6.431 1.00 0.00 C ATOM 0 H ALA A 41 -5.535 0.686 7.348 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.768 2.167 8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.584 3.279 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.005 3.147 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.424 2.030 5.579 1.00 0.00 H new ATOM 661 N PHE A 42 -8.524 0.528 5.564 1.00 0.00 N ATOM 662 CA PHE A 42 -9.629 -0.120 4.862 1.00 0.00 C ATOM 663 C PHE A 42 -9.861 -1.556 5.328 1.00 0.00 C ATOM 664 O PHE A 42 -10.967 -2.081 5.203 1.00 0.00 O ATOM 665 CB PHE A 42 -9.372 -0.088 3.354 1.00 0.00 C ATOM 666 CG PHE A 42 -9.881 1.159 2.685 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.542 2.414 3.168 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.702 1.074 1.572 1.00 0.00 C ATOM 669 CE1 PHE A 42 -10.016 3.559 2.554 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.175 2.216 0.954 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.833 3.459 1.446 1.00 0.00 C ATOM 0 H PHE A 42 -7.685 0.659 4.999 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.535 0.438 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.301 -0.176 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.845 -0.956 2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.901 2.498 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.975 0.104 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.747 4.531 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.812 2.136 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.204 4.352 0.965 1.00 0.00 H new ATOM 681 N LYS A 43 -8.828 -2.186 5.869 1.00 0.00 N ATOM 682 CA LYS A 43 -8.938 -3.565 6.335 1.00 0.00 C ATOM 683 C LYS A 43 -9.905 -3.686 7.510 1.00 0.00 C ATOM 684 O LYS A 43 -10.670 -4.648 7.586 1.00 0.00 O ATOM 685 CB LYS A 43 -7.564 -4.120 6.720 1.00 0.00 C ATOM 686 CG LYS A 43 -7.365 -5.581 6.348 1.00 0.00 C ATOM 687 CD LYS A 43 -7.502 -5.807 4.846 1.00 0.00 C ATOM 688 CE LYS A 43 -6.498 -4.981 4.053 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.693 -5.134 2.585 1.00 0.00 N ATOM 0 H LYS A 43 -7.906 -1.768 5.997 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.337 -4.156 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.792 -3.523 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.425 -4.007 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.379 -5.908 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.096 -6.193 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.358 -6.864 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.513 -5.549 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.596 -3.930 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.486 -5.286 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.769 -5.120 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.169 -6.038 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.278 -4.351 2.229 1.00 0.00 H new ATOM 703 N VAL A 44 -9.877 -2.723 8.433 1.00 0.00 N ATOM 704 CA VAL A 44 -10.780 -2.774 9.580 1.00 0.00 C ATOM 705 C VAL A 44 -12.224 -2.564 9.142 1.00 0.00 C ATOM 706 O VAL A 44 -13.141 -3.150 9.717 1.00 0.00 O ATOM 707 CB VAL A 44 -10.424 -1.746 10.672 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.043 -2.029 11.244 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.513 -0.328 10.135 1.00 0.00 C ATOM 0 H VAL A 44 -9.253 -1.916 8.410 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.663 -3.768 10.011 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.151 -1.841 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.810 -1.293 12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.028 -3.027 11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.300 -1.970 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.257 0.377 10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.818 -0.209 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.528 -0.133 9.789 1.00 0.00 H new ATOM 719 N PHE A 45 -12.431 -1.725 8.123 1.00 0.00 N ATOM 720 CA PHE A 45 -13.783 -1.482 7.622 1.00 0.00 C ATOM 721 C PHE A 45 -14.388 -2.777 7.089 1.00 0.00 C ATOM 722 O PHE A 45 -15.602 -2.887 6.921 1.00 0.00 O ATOM 723 CB PHE A 45 -13.793 -0.401 6.537 1.00 0.00 C ATOM 724 CG PHE A 45 -13.498 0.976 7.063 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.349 1.581 7.973 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.370 1.664 6.647 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.080 2.847 8.460 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.096 2.930 7.128 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.952 3.521 8.036 1.00 0.00 C ATOM 0 H PHE A 45 -11.694 -1.212 7.638 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.389 -1.122 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.057 -0.656 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.768 -0.395 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.233 1.058 8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.697 1.205 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.751 3.307 9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.214 3.456 6.794 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.739 4.510 8.414 1.00 0.00 H new ATOM 739 N ASP A 46 -13.525 -3.756 6.820 1.00 0.00 N ATOM 740 CA ASP A 46 -13.968 -5.053 6.322 1.00 0.00 C ATOM 741 C ASP A 46 -14.524 -5.890 7.469 1.00 0.00 C ATOM 742 O ASP A 46 -13.776 -6.498 8.234 1.00 0.00 O ATOM 743 CB ASP A 46 -12.809 -5.786 5.641 1.00 0.00 C ATOM 744 CG ASP A 46 -13.215 -7.142 5.092 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.430 -7.390 4.953 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.314 -7.956 4.797 1.00 0.00 O ATOM 0 H ASP A 46 -12.515 -3.673 6.939 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.757 -4.896 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.423 -5.171 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.997 -5.916 6.356 1.00 0.00 H new ATOM 751 N ARG A 47 -15.846 -5.906 7.573 1.00 0.00 N ATOM 752 CA ARG A 47 -16.537 -6.642 8.624 1.00 0.00 C ATOM 753 C ARG A 47 -16.240 -8.139 8.557 1.00 0.00 C ATOM 754 O ARG A 47 -16.075 -8.792 9.588 1.00 0.00 O ATOM 755 CB ARG A 47 -18.041 -6.398 8.508 1.00 0.00 C ATOM 756 CG ARG A 47 -18.393 -4.940 8.254 1.00 0.00 C ATOM 757 CD ARG A 47 -18.611 -4.181 9.554 1.00 0.00 C ATOM 758 NE ARG A 47 -17.384 -4.077 10.337 1.00 0.00 N ATOM 759 CZ ARG A 47 -17.158 -3.124 11.235 1.00 0.00 C ATOM 760 NH1 ARG A 47 -18.076 -2.193 11.468 1.00 0.00 N ATOM 761 NH2 ARG A 47 -16.013 -3.101 11.903 1.00 0.00 N ATOM 0 H ARG A 47 -16.468 -5.411 6.934 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.176 -6.281 9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.440 -7.008 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.528 -6.728 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.593 -4.466 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.294 -4.884 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.986 -3.182 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.376 -4.685 10.144 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.657 -4.777 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.959 -2.208 10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.899 -1.463 12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.306 -3.815 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.839 -2.370 12.592 1.00 0.00 H new ATOM 775 N ASP A 48 -16.174 -8.680 7.343 1.00 0.00 N ATOM 776 CA ASP A 48 -15.904 -10.103 7.159 1.00 0.00 C ATOM 777 C ASP A 48 -14.421 -10.414 7.343 1.00 0.00 C ATOM 778 O ASP A 48 -14.044 -11.563 7.577 1.00 0.00 O ATOM 779 CB ASP A 48 -16.358 -10.554 5.769 1.00 0.00 C ATOM 780 CG ASP A 48 -17.826 -10.271 5.520 1.00 0.00 C ATOM 781 OD1 ASP A 48 -18.143 -9.164 5.037 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.659 -11.156 5.809 1.00 0.00 O ATOM 0 H ASP A 48 -16.303 -8.158 6.476 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.465 -10.649 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.760 -10.047 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.173 -11.622 5.658 1.00 0.00 H new ATOM 787 N GLY A 49 -13.585 -9.386 7.236 1.00 0.00 N ATOM 788 CA GLY A 49 -12.153 -9.567 7.401 1.00 0.00 C ATOM 789 C GLY A 49 -11.567 -10.556 6.409 1.00 0.00 C ATOM 790 O GLY A 49 -10.429 -10.997 6.566 1.00 0.00 O ATOM 0 H GLY A 49 -13.874 -8.428 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.654 -8.605 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.949 -9.912 8.415 1.00 0.00 H new ATOM 794 N ASN A 50 -12.343 -10.900 5.386 1.00 0.00 N ATOM 795 CA ASN A 50 -11.895 -11.843 4.366 1.00 0.00 C ATOM 796 C ASN A 50 -10.837 -11.217 3.461 1.00 0.00 C ATOM 797 O ASN A 50 -10.350 -11.853 2.528 1.00 0.00 O ATOM 798 CB ASN A 50 -13.083 -12.325 3.526 1.00 0.00 C ATOM 799 CG ASN A 50 -13.874 -11.182 2.915 1.00 0.00 C ATOM 800 OD1 ASN A 50 -13.893 -10.069 3.443 1.00 0.00 O ATOM 801 ND2 ASN A 50 -14.540 -11.454 1.799 1.00 0.00 N ATOM 0 H ASN A 50 -13.286 -10.540 5.241 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.447 -12.697 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.719 -12.975 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.744 -12.925 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.094 -10.727 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.497 -12.389 1.395 1.00 0.00 H new ATOM 808 N GLY A 51 -10.481 -9.968 3.748 1.00 0.00 N ATOM 809 CA GLY A 51 -9.484 -9.277 2.950 1.00 0.00 C ATOM 810 C GLY A 51 -10.108 -8.437 1.856 1.00 0.00 C ATOM 811 O GLY A 51 -9.446 -7.588 1.258 1.00 0.00 O ATOM 0 H GLY A 51 -10.865 -9.422 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.882 -8.639 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.808 -10.007 2.504 1.00 0.00 H new ATOM 815 N PHE A 52 -11.390 -8.673 1.596 1.00 0.00 N ATOM 816 CA PHE A 52 -12.113 -7.933 0.570 1.00 0.00 C ATOM 817 C PHE A 52 -13.171 -7.042 1.209 1.00 0.00 C ATOM 818 O PHE A 52 -13.761 -7.400 2.229 1.00 0.00 O ATOM 819 CB PHE A 52 -12.773 -8.895 -0.420 1.00 0.00 C ATOM 820 CG PHE A 52 -11.897 -10.050 -0.815 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.888 -11.216 -0.065 1.00 0.00 C ATOM 822 CD2 PHE A 52 -11.084 -9.971 -1.933 1.00 0.00 C ATOM 823 CE1 PHE A 52 -11.084 -12.281 -0.422 1.00 0.00 C ATOM 824 CE2 PHE A 52 -10.278 -11.034 -2.296 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.277 -12.190 -1.540 1.00 0.00 C ATOM 0 H PHE A 52 -11.950 -9.373 2.083 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.401 -7.309 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.692 -9.282 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.057 -8.343 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.517 -11.293 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.079 -9.070 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.086 -13.183 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.649 -10.961 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.647 -13.021 -1.822 1.00 0.00 H new ATOM 835 N ILE A 53 -13.410 -5.884 0.606 1.00 0.00 N ATOM 836 CA ILE A 53 -14.392 -4.944 1.127 1.00 0.00 C ATOM 837 C ILE A 53 -15.550 -4.756 0.151 1.00 0.00 C ATOM 838 O ILE A 53 -15.413 -4.081 -0.870 1.00 0.00 O ATOM 839 CB ILE A 53 -13.747 -3.574 1.424 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.599 -3.728 2.426 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.788 -2.598 1.954 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.550 -2.646 2.310 1.00 0.00 C ATOM 0 H ILE A 53 -12.937 -5.574 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.777 -5.365 2.056 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.342 -3.175 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.006 -3.722 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.126 -4.699 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.315 -1.637 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.574 -2.465 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.221 -2.992 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.767 -2.817 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.116 -2.666 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.009 -1.673 2.487 1.00 0.00 H new ATOM 854 N SER A 54 -16.690 -5.363 0.475 1.00 0.00 N ATOM 855 CA SER A 54 -17.882 -5.262 -0.362 1.00 0.00 C ATOM 856 C SER A 54 -18.332 -3.811 -0.486 1.00 0.00 C ATOM 857 O SER A 54 -17.753 -2.922 0.135 1.00 0.00 O ATOM 858 CB SER A 54 -19.015 -6.104 0.223 1.00 0.00 C ATOM 859 OG SER A 54 -19.376 -5.644 1.514 1.00 0.00 O ATOM 0 H SER A 54 -16.813 -5.931 1.313 1.00 0.00 H new ATOM 0 HA SER A 54 -17.632 -5.638 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.881 -6.063 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.706 -7.148 0.278 1.00 0.00 H new ATOM 0 HG SER A 54 -19.117 -6.311 2.183 1.00 0.00 H new ATOM 865 N LYS A 55 -19.363 -3.570 -1.292 1.00 0.00 N ATOM 866 CA LYS A 55 -19.876 -2.217 -1.481 1.00 0.00 C ATOM 867 C LYS A 55 -20.434 -1.655 -0.178 1.00 0.00 C ATOM 868 O LYS A 55 -20.075 -0.552 0.239 1.00 0.00 O ATOM 869 CB LYS A 55 -20.968 -2.199 -2.554 1.00 0.00 C ATOM 870 CG LYS A 55 -20.517 -2.707 -3.916 1.00 0.00 C ATOM 871 CD LYS A 55 -20.672 -4.217 -4.038 1.00 0.00 C ATOM 872 CE LYS A 55 -22.135 -4.630 -4.071 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.292 -6.108 -4.143 1.00 0.00 N ATOM 0 H LYS A 55 -19.856 -4.289 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.044 -1.592 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.807 -2.806 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.336 -1.179 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.099 -2.218 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.474 -2.435 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.176 -4.562 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.175 -4.703 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.639 -4.254 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.623 -4.171 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.303 -6.349 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.833 -6.464 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.849 -6.545 -3.310 1.00 0.00 H new ATOM 887 N GLN A 56 -21.311 -2.424 0.462 1.00 0.00 N ATOM 888 CA GLN A 56 -21.936 -2.003 1.712 1.00 0.00 C ATOM 889 C GLN A 56 -20.887 -1.689 2.774 1.00 0.00 C ATOM 890 O GLN A 56 -21.080 -0.802 3.607 1.00 0.00 O ATOM 891 CB GLN A 56 -22.884 -3.091 2.223 1.00 0.00 C ATOM 892 CG GLN A 56 -23.699 -3.770 1.130 1.00 0.00 C ATOM 893 CD GLN A 56 -24.902 -2.959 0.673 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.780 -1.636 0.683 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -25.933 -3.521 0.303 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.605 -3.344 0.134 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.505 -1.095 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.302 -3.847 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.567 -2.651 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.053 -3.961 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.042 -4.739 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.989 -4.539 0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.731 -2.968 -0.010 1.00 0.00 H new ATOM 904 N GLU A 57 -19.776 -2.418 2.738 1.00 0.00 N ATOM 905 CA GLU A 57 -18.696 -2.219 3.697 1.00 0.00 C ATOM 906 C GLU A 57 -17.886 -0.974 3.348 1.00 0.00 C ATOM 907 O GLU A 57 -17.572 -0.153 4.214 1.00 0.00 O ATOM 908 CB GLU A 57 -17.790 -3.452 3.726 1.00 0.00 C ATOM 909 CG GLU A 57 -18.468 -4.686 4.300 1.00 0.00 C ATOM 910 CD GLU A 57 -17.606 -5.929 4.192 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.646 -6.054 4.979 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.892 -6.778 3.322 1.00 0.00 O ATOM 0 H GLU A 57 -19.600 -3.153 2.053 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.132 -2.075 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.453 -3.670 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.902 -3.227 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.712 -4.508 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.410 -4.855 3.777 1.00 0.00 H new ATOM 919 N LEU A 58 -17.544 -0.846 2.072 1.00 0.00 N ATOM 920 CA LEU A 58 -16.784 0.298 1.591 1.00 0.00 C ATOM 921 C LEU A 58 -17.548 1.588 1.871 1.00 0.00 C ATOM 922 O LEU A 58 -16.954 2.651 2.058 1.00 0.00 O ATOM 923 CB LEU A 58 -16.522 0.148 0.085 1.00 0.00 C ATOM 924 CG LEU A 58 -15.272 0.850 -0.461 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.467 2.358 -0.503 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.046 0.489 0.364 1.00 0.00 C ATOM 0 H LEU A 58 -17.783 -1.525 1.349 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.828 0.341 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.445 -0.915 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.390 0.528 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.111 0.503 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.566 2.831 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.312 2.598 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.663 2.728 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.172 0.998 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.199 0.798 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.887 -0.589 0.328 1.00 0.00 H new ATOM 938 N GLY A 59 -18.874 1.479 1.915 1.00 0.00 N ATOM 939 CA GLY A 59 -19.706 2.636 2.182 1.00 0.00 C ATOM 940 C GLY A 59 -19.533 3.140 3.600 1.00 0.00 C ATOM 941 O GLY A 59 -19.903 4.270 3.917 1.00 0.00 O ATOM 0 H GLY A 59 -19.385 0.608 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.457 3.432 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.752 2.378 2.013 1.00 0.00 H new ATOM 945 N THR A 60 -18.963 2.291 4.450 1.00 0.00 N ATOM 946 CA THR A 60 -18.724 2.644 5.843 1.00 0.00 C ATOM 947 C THR A 60 -17.404 3.393 5.975 1.00 0.00 C ATOM 948 O THR A 60 -17.209 4.178 6.903 1.00 0.00 O ATOM 949 CB THR A 60 -18.693 1.391 6.742 1.00 0.00 C ATOM 950 OG1 THR A 60 -19.898 0.636 6.572 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.538 1.777 8.207 1.00 0.00 C ATOM 0 H THR A 60 -18.658 1.351 4.196 1.00 0.00 H new ATOM 0 HA THR A 60 -19.545 3.283 6.169 1.00 0.00 H new ATOM 0 HB THR A 60 -17.837 0.784 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 60 -19.870 -0.159 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.519 0.876 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.607 2.328 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.377 2.404 8.509 1.00 0.00 H new ATOM 959 N ALA A 61 -16.498 3.137 5.037 1.00 0.00 N ATOM 960 CA ALA A 61 -15.196 3.793 5.030 1.00 0.00 C ATOM 961 C ALA A 61 -15.325 5.257 4.617 1.00 0.00 C ATOM 962 O ALA A 61 -14.707 6.138 5.215 1.00 0.00 O ATOM 963 CB ALA A 61 -14.242 3.064 4.097 1.00 0.00 C ATOM 0 H ALA A 61 -16.642 2.479 4.271 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.793 3.759 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.274 3.565 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.119 2.035 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.648 3.069 3.085 1.00 0.00 H new ATOM 969 N MET A 62 -16.130 5.507 3.588 1.00 0.00 N ATOM 970 CA MET A 62 -16.342 6.862 3.087 1.00 0.00 C ATOM 971 C MET A 62 -17.029 7.743 4.129 1.00 0.00 C ATOM 972 O MET A 62 -16.577 8.856 4.402 1.00 0.00 O ATOM 973 CB MET A 62 -17.177 6.827 1.807 1.00 0.00 C ATOM 974 CG MET A 62 -16.498 6.099 0.658 1.00 0.00 C ATOM 975 SD MET A 62 -14.952 6.882 0.159 1.00 0.00 S ATOM 976 CE MET A 62 -14.412 5.769 -1.136 1.00 0.00 C ATOM 0 H MET A 62 -16.647 4.787 3.084 1.00 0.00 H new ATOM 0 HA MET A 62 -15.364 7.292 2.871 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.131 6.345 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.398 7.849 1.499 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.301 5.068 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.175 6.063 -0.195 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.507 5.252 -0.817 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.195 5.039 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.204 6.338 -2.042 1.00 0.00 H new ATOM 986 N ARG A 63 -18.124 7.246 4.705 1.00 0.00 N ATOM 987 CA ARG A 63 -18.867 8.003 5.711 1.00 0.00 C ATOM 988 C ARG A 63 -17.957 8.430 6.858 1.00 0.00 C ATOM 989 O ARG A 63 -18.179 9.466 7.485 1.00 0.00 O ATOM 990 CB ARG A 63 -20.038 7.180 6.254 1.00 0.00 C ATOM 991 CG ARG A 63 -19.611 5.916 6.979 1.00 0.00 C ATOM 992 CD ARG A 63 -20.771 5.280 7.728 1.00 0.00 C ATOM 993 NE ARG A 63 -21.337 6.183 8.726 1.00 0.00 N ATOM 994 CZ ARG A 63 -21.699 5.800 9.947 1.00 0.00 C ATOM 995 NH1 ARG A 63 -21.549 4.536 10.323 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.210 6.682 10.795 1.00 0.00 N ATOM 0 H ARG A 63 -18.514 6.328 4.493 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.259 8.898 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.621 7.800 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.695 6.910 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.207 5.203 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.810 6.151 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.547 4.992 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.430 4.367 8.216 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.462 7.163 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.155 3.854 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.828 4.246 11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.326 7.655 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.487 6.388 11.731 1.00 0.00 H new ATOM 1010 N SER A 64 -16.939 7.620 7.133 1.00 0.00 N ATOM 1011 CA SER A 64 -15.993 7.918 8.202 1.00 0.00 C ATOM 1012 C SER A 64 -15.366 9.293 7.996 1.00 0.00 C ATOM 1013 O SER A 64 -15.133 10.031 8.954 1.00 0.00 O ATOM 1014 CB SER A 64 -14.900 6.849 8.264 1.00 0.00 C ATOM 1015 OG SER A 64 -13.983 7.118 9.310 1.00 0.00 O ATOM 0 H SER A 64 -16.749 6.753 6.631 1.00 0.00 H new ATOM 0 HA SER A 64 -16.537 7.920 9.147 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.353 5.869 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.370 6.811 7.312 1.00 0.00 H new ATOM 0 HG SER A 64 -13.295 6.420 9.330 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.096 9.630 6.738 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.501 10.918 6.402 1.00 0.00 C ATOM 1023 C LEU A 65 -15.533 12.036 6.523 1.00 0.00 C ATOM 1024 O LEU A 65 -15.182 13.209 6.648 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.929 10.883 4.981 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.214 9.583 4.596 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.731 9.644 3.155 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.050 9.308 5.537 1.00 0.00 C ATOM 0 H LEU A 65 -15.280 9.028 5.935 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.692 11.116 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.742 11.054 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.229 11.711 4.868 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.927 8.764 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.226 8.712 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.584 9.788 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.037 10.476 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.557 8.381 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.337 10.130 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.421 9.216 6.558 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.809 11.658 6.486 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.880 12.633 6.595 1.00 0.00 C ATOM 1042 C GLY A 66 -18.745 12.689 5.350 1.00 0.00 C ATOM 1043 O GLY A 66 -19.317 13.732 5.031 1.00 0.00 O ATOM 0 H GLY A 66 -17.120 10.692 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.503 12.389 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.452 13.618 6.781 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.841 11.563 4.647 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.642 11.484 3.428 1.00 0.00 C ATOM 1049 C TYR A 67 -20.434 10.181 3.383 1.00 0.00 C ATOM 1050 O TYR A 67 -19.898 9.132 3.031 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.742 11.588 2.195 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.907 12.847 2.157 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -18.417 14.025 1.626 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.610 12.860 2.656 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -17.657 15.179 1.591 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.845 14.010 2.625 1.00 0.00 C ATOM 1057 CZ TYR A 67 -16.373 15.166 2.092 1.00 0.00 C ATOM 1058 OH TYR A 67 -15.616 16.315 2.059 1.00 0.00 O ATOM 0 H TYR A 67 -18.374 10.692 4.901 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.345 12.317 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.080 10.723 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.362 11.546 1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -19.423 14.039 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.193 11.956 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -18.067 16.086 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.838 14.003 3.016 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.736 16.138 2.452 1.00 0.00 H new ATOM 1068 N MET A 68 -21.714 10.258 3.739 1.00 0.00 N ATOM 1069 CA MET A 68 -22.581 9.083 3.742 1.00 0.00 C ATOM 1070 C MET A 68 -23.007 8.714 2.319 1.00 0.00 C ATOM 1071 O MET A 68 -23.786 9.436 1.697 1.00 0.00 O ATOM 1072 CB MET A 68 -23.821 9.336 4.604 1.00 0.00 C ATOM 1073 CG MET A 68 -23.513 9.525 6.081 1.00 0.00 C ATOM 1074 SD MET A 68 -22.646 11.068 6.426 1.00 0.00 S ATOM 1075 CE MET A 68 -23.887 12.268 5.951 1.00 0.00 C ATOM 0 H MET A 68 -22.173 11.121 4.029 1.00 0.00 H new ATOM 0 HA MET A 68 -22.017 8.251 4.163 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.335 10.223 4.233 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.509 8.498 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.444 9.503 6.647 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.908 8.688 6.431 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.695 13.212 6.461 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.848 12.424 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.874 11.900 6.229 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.505 7.582 1.781 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.838 7.126 0.434 1.00 0.00 C ATOM 1087 C PRO A 69 -24.144 6.341 0.396 1.00 0.00 C ATOM 1088 O PRO A 69 -24.393 5.489 1.249 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.660 6.214 0.055 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.771 6.144 1.263 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.574 6.654 2.426 1.00 0.00 C ATOM 0 HA PRO A 69 -22.982 7.962 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.012 5.221 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.119 6.615 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.441 5.120 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.875 6.747 1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.096 5.849 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.947 7.154 3.164 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.972 6.633 -0.601 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.253 5.953 -0.758 1.00 0.00 C ATOM 1101 C ASN A 70 -26.073 4.605 -1.448 1.00 0.00 C ATOM 1102 O ASN A 70 -24.949 4.178 -1.708 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.214 6.830 -1.562 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.432 8.183 -0.917 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -27.586 8.286 0.301 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -27.427 9.234 -1.729 1.00 0.00 N ATOM 0 H ASN A 70 -24.779 7.337 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.672 5.776 0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.820 6.969 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -28.172 6.319 -1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.554 10.172 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -27.296 9.103 -2.732 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.187 3.941 -1.746 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.153 2.640 -2.404 1.00 0.00 C ATOM 1115 C GLU A 71 -26.447 2.727 -3.753 1.00 0.00 C ATOM 1116 O GLU A 71 -25.412 2.099 -3.969 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.574 2.110 -2.609 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.443 2.194 -1.366 1.00 0.00 C ATOM 1119 CD GLU A 71 -28.944 1.305 -0.243 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -28.109 1.774 0.559 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -29.388 0.140 -0.166 1.00 0.00 O ATOM 0 H GLU A 71 -28.125 4.284 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.599 1.957 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -29.050 2.672 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.521 1.071 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.476 3.227 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -30.464 1.911 -1.622 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.020 3.512 -4.657 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.478 3.694 -5.982 1.00 0.00 C ATOM 1130 C VAL A 72 -25.103 4.355 -5.950 1.00 0.00 C ATOM 1131 O VAL A 72 -24.343 4.275 -6.917 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.438 4.550 -6.812 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -28.719 3.787 -7.108 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.744 5.855 -6.092 1.00 0.00 C ATOM 0 H VAL A 72 -27.876 4.038 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.362 2.709 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.956 4.785 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -29.387 4.413 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.482 2.881 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -29.207 3.518 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.428 6.452 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.205 5.639 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.819 6.410 -5.936 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.789 5.011 -4.837 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.507 5.692 -4.688 1.00 0.00 C ATOM 1146 C GLU A 73 -22.367 4.695 -4.486 1.00 0.00 C ATOM 1147 O GLU A 73 -21.423 4.653 -5.272 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.560 6.671 -3.514 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.536 7.817 -3.724 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.177 8.673 -4.923 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.393 9.632 -4.755 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -24.679 8.386 -6.029 1.00 0.00 O ATOM 0 H GLU A 73 -25.403 5.085 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.314 6.244 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.838 6.128 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.563 7.079 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.540 7.415 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.557 8.440 -2.830 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.465 3.892 -3.431 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.435 2.900 -3.126 1.00 0.00 C ATOM 1161 C LEU A 74 -21.198 1.959 -4.305 1.00 0.00 C ATOM 1162 O LEU A 74 -20.197 1.245 -4.348 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.822 2.103 -1.875 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.268 1.601 -1.838 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.407 0.294 -2.604 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.733 1.428 -0.400 1.00 0.00 C ATOM 0 H LEU A 74 -23.244 3.907 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.503 3.432 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.155 1.245 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.650 2.728 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.900 2.346 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.443 -0.043 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.116 0.448 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.762 -0.461 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.763 1.071 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.093 0.704 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.677 2.385 0.118 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.124 1.962 -5.259 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.013 1.109 -6.437 1.00 0.00 C ATOM 1180 C GLU A 75 -21.123 1.740 -7.509 1.00 0.00 C ATOM 1181 O GLU A 75 -20.350 1.044 -8.167 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.400 0.821 -7.015 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.275 -0.026 -6.104 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.666 -0.240 -6.666 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -25.819 -1.094 -7.565 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.604 0.445 -6.209 1.00 0.00 O ATOM 0 H GLU A 75 -22.960 2.546 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.550 0.174 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.905 1.766 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.287 0.312 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.798 -0.993 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.351 0.455 -5.129 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.232 3.057 -7.684 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.433 3.758 -8.688 1.00 0.00 C ATOM 1195 C VAL A 76 -18.992 3.950 -8.225 1.00 0.00 C ATOM 1196 O VAL A 76 -18.083 4.100 -9.041 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.037 5.132 -9.052 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.456 4.971 -9.570 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.004 6.076 -7.858 1.00 0.00 C ATOM 0 H VAL A 76 -21.861 3.656 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.441 3.127 -9.577 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.429 5.570 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.865 5.950 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.449 4.341 -10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.073 4.506 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.435 7.036 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.581 5.647 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.972 6.222 -7.538 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.792 3.961 -6.915 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.461 4.132 -6.346 1.00 0.00 C ATOM 1211 C ILE A 77 -16.686 2.817 -6.344 1.00 0.00 C ATOM 1212 O ILE A 77 -15.467 2.800 -6.521 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.539 4.674 -4.906 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.368 5.957 -4.874 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.144 4.924 -4.352 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.284 6.050 -3.675 1.00 0.00 C ATOM 0 H ILE A 77 -19.535 3.853 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.937 4.853 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.025 3.928 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.696 6.815 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.965 6.018 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.220 5.307 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.581 3.990 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.630 5.654 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.843 6.985 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.980 5.211 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.691 6.021 -2.761 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.404 1.715 -6.147 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.793 0.390 -6.103 1.00 0.00 C ATOM 1230 C ILE A 78 -16.369 -0.094 -7.491 1.00 0.00 C ATOM 1231 O ILE A 78 -15.425 -0.875 -7.615 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.755 -0.637 -5.458 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.727 -0.500 -3.932 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.414 -2.064 -5.876 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.405 -0.896 -3.306 1.00 0.00 C ATOM 0 H ILE A 78 -18.415 1.714 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.895 0.475 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.763 -0.424 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.950 0.533 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.519 -1.117 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.110 -2.758 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.491 -2.154 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.397 -2.302 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.463 -0.772 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.189 -1.938 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.611 -0.263 -3.702 1.00 0.00 H new ATOM 1247 N GLN A 79 -17.050 0.373 -8.532 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.723 -0.044 -9.892 1.00 0.00 C ATOM 1249 C GLN A 79 -15.403 0.570 -10.350 1.00 0.00 C ATOM 1250 O GLN A 79 -14.837 0.162 -11.364 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.843 0.346 -10.860 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.042 1.846 -10.992 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.003 2.215 -12.106 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.926 1.464 -12.418 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.788 3.377 -12.714 1.00 0.00 N ATOM 0 H GLN A 79 -17.824 1.034 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.619 -1.129 -9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.623 -0.070 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.776 -0.107 -10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.417 2.243 -10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.079 2.321 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.010 3.969 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.401 3.677 -13.472 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.919 1.552 -9.596 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.665 2.221 -9.924 1.00 0.00 C ATOM 1266 C ARG A 80 -12.473 1.435 -9.389 1.00 0.00 C ATOM 1267 O ARG A 80 -11.451 1.303 -10.062 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.655 3.639 -9.350 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.822 4.495 -9.815 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.792 4.715 -11.319 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.908 5.539 -11.772 1.00 0.00 N ATOM 1272 CZ ARG A 80 -16.100 5.887 -13.041 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.252 5.484 -13.979 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -17.141 6.638 -13.373 1.00 0.00 N ATOM 0 H ARG A 80 -15.376 1.902 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.583 2.275 -11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.670 3.581 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.722 4.128 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.760 4.015 -9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.793 5.458 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.852 5.192 -11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.823 3.751 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.578 5.866 -11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.450 4.906 -13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.402 5.753 -14.952 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.795 6.949 -12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.288 6.905 -14.347 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.612 0.915 -8.174 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.548 0.141 -7.548 1.00 0.00 C ATOM 1290 C LEU A 81 -11.550 -1.297 -8.060 1.00 0.00 C ATOM 1291 O LEU A 81 -10.515 -1.824 -8.467 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.701 0.151 -6.023 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.413 1.491 -5.342 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -12.541 2.479 -5.588 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -11.196 1.291 -3.848 1.00 0.00 C ATOM 0 H LEU A 81 -13.452 1.016 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.597 0.604 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.718 -0.152 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.033 -0.601 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.502 1.904 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.312 3.423 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.650 2.647 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.471 2.076 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.992 2.253 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.091 0.853 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.349 0.623 -3.690 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.723 -1.922 -8.036 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.872 -3.300 -8.492 1.00 0.00 C ATOM 1309 C ASP A 82 -12.655 -3.407 -10.001 1.00 0.00 C ATOM 1310 O ASP A 82 -13.600 -3.314 -10.784 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.260 -3.825 -8.120 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.415 -5.307 -8.392 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.390 -5.980 -8.628 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.563 -5.795 -8.365 1.00 0.00 O ATOM 0 H ASP A 82 -13.587 -1.494 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.114 -3.908 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.446 -3.632 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.015 -3.275 -8.682 1.00 0.00 H new ATOM 1319 N MET A 83 -11.400 -3.602 -10.395 1.00 0.00 N ATOM 1320 CA MET A 83 -11.042 -3.716 -11.808 1.00 0.00 C ATOM 1321 C MET A 83 -11.543 -5.022 -12.421 1.00 0.00 C ATOM 1322 O MET A 83 -12.198 -5.013 -13.464 1.00 0.00 O ATOM 1323 CB MET A 83 -9.524 -3.620 -11.974 1.00 0.00 C ATOM 1324 CG MET A 83 -8.946 -2.284 -11.540 1.00 0.00 C ATOM 1325 SD MET A 83 -9.607 -0.898 -12.488 1.00 0.00 S ATOM 1326 CE MET A 83 -9.132 -1.368 -14.150 1.00 0.00 C ATOM 0 H MET A 83 -10.611 -3.685 -9.754 1.00 0.00 H new ATOM 0 HA MET A 83 -11.525 -2.893 -12.334 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.053 -4.415 -11.396 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.270 -3.793 -13.020 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.156 -2.128 -10.482 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.862 -2.309 -11.649 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.158 -0.491 -14.797 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.123 -1.780 -14.137 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.826 -2.119 -14.528 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.229 -6.142 -11.776 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.638 -7.451 -12.280 1.00 0.00 C ATOM 1338 C ASP A 84 -13.151 -7.639 -12.186 1.00 0.00 C ATOM 1339 O ASP A 84 -13.730 -8.448 -12.911 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.916 -8.565 -11.520 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.195 -8.530 -10.032 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.881 -7.505 -9.391 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.720 -9.532 -9.506 1.00 0.00 O ATOM 0 H ASP A 84 -10.695 -6.171 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.360 -7.503 -13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.223 -9.531 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.842 -8.477 -11.687 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.785 -6.887 -11.289 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.227 -6.975 -11.129 1.00 0.00 C ATOM 1350 C GLY A 85 -15.670 -8.175 -10.312 1.00 0.00 C ATOM 1351 O GLY A 85 -16.623 -8.861 -10.680 1.00 0.00 O ATOM 0 H GLY A 85 -13.326 -6.219 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.588 -6.065 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.692 -7.023 -12.114 1.00 0.00 H new ATOM 1355 N ASP A 86 -14.987 -8.428 -9.198 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.331 -9.554 -8.335 1.00 0.00 C ATOM 1357 C ASP A 86 -16.338 -9.138 -7.267 1.00 0.00 C ATOM 1358 O ASP A 86 -16.582 -9.875 -6.310 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.077 -10.123 -7.671 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.388 -9.114 -6.773 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.577 -8.316 -7.289 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.660 -9.122 -5.555 1.00 0.00 O ATOM 0 H ASP A 86 -14.196 -7.871 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.785 -10.325 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.347 -11.002 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.381 -10.455 -8.441 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.921 -7.954 -7.435 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.894 -7.462 -6.477 1.00 0.00 C ATOM 1369 C GLY A 87 -17.251 -6.854 -5.244 1.00 0.00 C ATOM 1370 O GLY A 87 -17.882 -6.075 -4.529 1.00 0.00 O ATOM 0 H GLY A 87 -16.736 -7.327 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.525 -6.714 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.546 -8.282 -6.174 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.994 -7.210 -4.994 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.269 -6.697 -3.836 1.00 0.00 C ATOM 1376 C GLN A 88 -13.913 -6.127 -4.244 1.00 0.00 C ATOM 1377 O GLN A 88 -13.408 -6.415 -5.329 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.086 -7.808 -2.800 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.399 -8.399 -2.311 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.200 -9.603 -1.410 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.227 -10.344 -1.550 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.126 -9.807 -0.481 1.00 0.00 N ATOM 0 H GLN A 88 -15.457 -7.851 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.855 -5.890 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.478 -8.602 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.534 -7.412 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.958 -7.635 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.004 -8.689 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.917 -9.168 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.047 -10.603 0.152 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.331 -5.314 -3.366 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.035 -4.697 -3.632 1.00 0.00 C ATOM 1393 C VAL A 89 -10.906 -5.472 -2.958 1.00 0.00 C ATOM 1394 O VAL A 89 -10.928 -5.692 -1.747 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.002 -3.235 -3.149 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.661 -2.591 -3.468 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.143 -2.444 -3.769 1.00 0.00 C ATOM 0 H VAL A 89 -13.737 -5.067 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.889 -4.719 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.129 -3.228 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.661 -1.559 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.864 -3.144 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.496 -2.609 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.105 -1.413 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.049 -2.460 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.094 -2.891 -3.480 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.919 -5.878 -3.752 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.780 -6.630 -3.236 1.00 0.00 C ATOM 1409 C ASP A 90 -7.684 -5.694 -2.736 1.00 0.00 C ATOM 1410 O ASP A 90 -7.568 -4.559 -3.199 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.222 -7.554 -4.319 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.090 -8.424 -3.809 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.377 -9.500 -3.242 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.916 -8.030 -3.977 1.00 0.00 O ATOM 0 H ASP A 90 -9.885 -5.699 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.127 -7.231 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.022 -8.189 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.867 -6.954 -5.157 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.890 -6.173 -1.784 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.803 -5.380 -1.215 1.00 0.00 C ATOM 1421 C PHE A 91 -4.884 -4.826 -2.302 1.00 0.00 C ATOM 1422 O PHE A 91 -4.634 -3.622 -2.357 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.993 -6.226 -0.228 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.766 -5.537 0.303 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.872 -4.362 1.030 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.506 -6.069 0.076 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.745 -3.730 1.519 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.375 -5.441 0.564 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.495 -4.270 1.286 1.00 0.00 C ATOM 0 H PHE A 91 -6.978 -7.109 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.248 -4.536 -0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.634 -6.502 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.694 -7.152 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.847 -3.936 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.407 -6.984 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.841 -2.814 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.399 -5.866 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.613 -3.777 1.668 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.389 -5.712 -3.162 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.486 -5.320 -4.243 1.00 0.00 C ATOM 1441 C GLU A 92 -4.036 -4.141 -5.043 1.00 0.00 C ATOM 1442 O GLU A 92 -3.396 -3.096 -5.141 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.230 -6.506 -5.176 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.515 -7.666 -4.504 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.196 -8.790 -5.470 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.052 -9.681 -5.649 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.090 -8.777 -6.051 1.00 0.00 O ATOM 0 H GLU A 92 -4.598 -6.710 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.547 -5.006 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.183 -6.858 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.637 -6.168 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.591 -7.306 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.136 -8.052 -3.695 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.217 -4.318 -5.622 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.845 -3.268 -6.421 1.00 0.00 C ATOM 1456 C GLU A 93 -5.897 -1.937 -5.670 1.00 0.00 C ATOM 1457 O GLU A 93 -5.839 -0.870 -6.281 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.259 -3.689 -6.822 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.301 -4.963 -7.648 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.711 -5.484 -7.847 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.403 -4.988 -8.761 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.123 -6.387 -7.089 1.00 0.00 O ATOM 0 H GLU A 93 -5.761 -5.178 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.236 -3.126 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.857 -3.830 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.723 -2.882 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.846 -4.776 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.701 -5.729 -7.158 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.998 -2.003 -4.346 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.075 -0.797 -3.526 1.00 0.00 C ATOM 1471 C PHE A 94 -4.689 -0.301 -3.111 1.00 0.00 C ATOM 1472 O PHE A 94 -4.517 0.873 -2.781 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.932 -1.063 -2.284 1.00 0.00 C ATOM 1474 CG PHE A 94 -7.178 0.157 -1.438 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.864 1.246 -1.951 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.723 0.211 -0.129 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -8.093 2.366 -1.175 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.949 1.330 0.651 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.635 2.408 0.128 1.00 0.00 C ATOM 0 H PHE A 94 -6.028 -2.876 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.538 -0.015 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.891 -1.474 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.444 -1.823 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.224 1.219 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.187 -0.630 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.630 3.208 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.589 1.361 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.813 3.282 0.736 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.702 -1.192 -3.138 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.341 -0.832 -2.748 1.00 0.00 C ATOM 1491 C VAL A 95 -1.689 0.090 -3.777 1.00 0.00 C ATOM 1492 O VAL A 95 -0.795 0.868 -3.445 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.458 -2.085 -2.540 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.757 -2.495 -3.829 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.443 -1.840 -1.434 1.00 0.00 C ATOM 0 H VAL A 95 -3.817 -2.164 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.419 -0.299 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.110 -2.907 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.146 -3.378 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.502 -2.721 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.121 -1.679 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.171 -2.731 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.194 -0.998 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.965 -1.616 -0.504 1.00 0.00 H new ATOM 1505 N THR A 96 -2.139 -0.001 -5.026 1.00 0.00 N ATOM 1506 CA THR A 96 -1.593 0.827 -6.095 1.00 0.00 C ATOM 1507 C THR A 96 -2.359 2.140 -6.225 1.00 0.00 C ATOM 1508 O THR A 96 -1.766 3.191 -6.467 1.00 0.00 O ATOM 1509 CB THR A 96 -1.624 0.090 -7.448 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.904 -1.145 -7.350 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.017 0.947 -8.549 1.00 0.00 C ATOM 0 H THR A 96 -2.879 -0.639 -5.321 1.00 0.00 H new ATOM 0 HA THR A 96 -0.558 1.041 -5.829 1.00 0.00 H new ATOM 0 HB THR A 96 -2.665 -0.113 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.930 -1.608 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.051 0.404 -9.493 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.583 1.874 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.019 1.178 -8.301 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.678 2.070 -6.065 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.525 3.255 -6.166 1.00 0.00 C ATOM 1521 C LEU A 97 -4.055 4.358 -5.221 1.00 0.00 C ATOM 1522 O LEU A 97 -4.253 5.543 -5.491 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.981 2.893 -5.864 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.659 2.010 -6.914 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.985 1.480 -6.390 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.867 2.783 -8.207 1.00 0.00 C ATOM 0 H LEU A 97 -4.183 1.206 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.452 3.630 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.021 2.383 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.555 3.814 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.008 1.161 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.453 0.854 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.811 0.889 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.643 2.316 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.350 2.139 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.498 3.651 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.902 3.113 -8.592 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.430 3.968 -4.112 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.936 4.934 -3.136 1.00 0.00 C ATOM 1540 C LEU A 98 -1.421 5.085 -3.230 1.00 0.00 C ATOM 1541 O LEU A 98 -0.839 5.985 -2.625 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.340 4.515 -1.720 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.915 3.105 -1.302 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.478 3.096 -0.799 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.854 2.563 -0.236 1.00 0.00 C ATOM 0 H LEU A 98 -3.255 2.993 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.387 5.900 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.914 5.228 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.424 4.589 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.971 2.459 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.201 2.083 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.813 3.441 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.390 3.758 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.539 1.560 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.828 3.215 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.869 2.525 -0.631 1.00 0.00 H new