USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 665 TYR OH : rot 180:sc= 0.643 USER MOD Set 1.2: A 666 MET CE :methyl -163:sc= 0 (180deg=-0.146) USER MOD Set 1.3: A 705 LYS NZ :NH3+ -174:sc= 0.608 (180deg=-0.0411) USER MOD Single : A 667 MET CE :methyl 147:sc= -0.839 (180deg=-1.96!) USER MOD Single : A 674 MET CE :methyl 179:sc= -0.775 (180deg=-0.797) USER MOD Single : A 687 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.52) USER MOD Single : A 689 SER OG : rot 81:sc= 1.13 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -84:sc= 1.19 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.0532 F(o=-1.5,f=-0.053) USER MOD Single : A 701 MET CE :methyl -134:sc= 0 (180deg=-1.3) USER MOD Single : A 704 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0389 F(o=-1.3!,f=-0.039) USER MOD Single : A 712 TYR OH : rot 30:sc=-0.00312 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 714 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 715 LYS NZ :NH3+ 175:sc= 0.975 (180deg=0.745) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.692 -7.736 -1.388 1.00 0.30 N ATOM 629 CA TYR A 665 -1.834 -6.695 -0.834 1.00 0.25 C ATOM 630 C TYR A 665 -0.869 -7.242 0.214 1.00 0.22 C ATOM 631 O TYR A 665 0.255 -6.765 0.333 1.00 0.22 O ATOM 632 CB TYR A 665 -2.677 -5.546 -0.254 1.00 0.27 C ATOM 633 CG TYR A 665 -3.726 -5.952 0.763 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.057 -6.120 0.400 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.377 -6.194 2.084 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.006 -6.512 1.324 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.321 -6.584 3.013 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.668 -6.652 2.626 1.00 0.64 C ATOM 639 OH TYR A 665 -6.570 -7.132 3.553 1.00 0.81 O ATOM 0 HA TYR A 665 -1.230 -6.305 -1.653 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.005 -4.825 0.212 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.174 -5.033 -1.077 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.355 -5.941 -0.623 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.348 -6.075 2.391 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.020 -6.707 1.006 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.027 -6.833 4.022 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.146 -7.163 4.436 1.00 0.81 H new ATOM 649 N MET A 666 -1.292 -8.265 0.943 1.00 0.25 N ATOM 650 CA MET A 666 -0.471 -8.820 2.014 1.00 0.28 C ATOM 651 C MET A 666 0.730 -9.565 1.454 1.00 0.25 C ATOM 652 O MET A 666 1.835 -9.457 1.982 1.00 0.25 O ATOM 653 CB MET A 666 -1.298 -9.740 2.914 1.00 0.37 C ATOM 654 CG MET A 666 -2.139 -8.990 3.937 1.00 0.48 C ATOM 655 SD MET A 666 -3.189 -10.082 4.913 1.00 1.17 S ATOM 656 CE MET A 666 -3.927 -8.909 6.050 1.00 1.14 C ATOM 0 H MET A 666 -2.193 -8.726 0.815 1.00 0.25 H new ATOM 0 HA MET A 666 -0.105 -7.988 2.615 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.954 -10.350 2.293 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.628 -10.423 3.436 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.481 -8.434 4.605 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.762 -8.259 3.422 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.357 -9.444 6.897 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.163 -8.218 6.407 1.00 1.14 H new ATOM 0 HE3 MET A 666 -4.711 -8.350 5.538 1.00 1.14 H new ATOM 666 N MET A 667 0.524 -10.294 0.364 1.00 0.26 N ATOM 667 CA MET A 667 1.608 -11.047 -0.252 1.00 0.27 C ATOM 668 C MET A 667 2.596 -10.072 -0.884 1.00 0.23 C ATOM 669 O MET A 667 3.816 -10.210 -0.733 1.00 0.23 O ATOM 670 CB MET A 667 1.051 -12.024 -1.299 1.00 0.34 C ATOM 671 CG MET A 667 2.024 -13.128 -1.718 1.00 0.47 C ATOM 672 SD MET A 667 3.368 -12.551 -2.776 1.00 1.20 S ATOM 673 CE MET A 667 2.487 -12.221 -4.300 1.00 1.10 C ATOM 0 H MET A 667 -0.376 -10.379 -0.108 1.00 0.26 H new ATOM 0 HA MET A 667 2.126 -11.634 0.507 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.147 -12.486 -0.902 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.758 -11.460 -2.185 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.448 -13.584 -0.824 1.00 0.47 H new ATOM 0 HG3 MET A 667 1.471 -13.908 -2.242 1.00 0.47 H new ATOM 0 HE1 MET A 667 2.951 -11.379 -4.813 1.00 1.10 H new ATOM 0 HE2 MET A 667 2.525 -13.102 -4.941 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.448 -11.981 -4.075 1.00 1.10 H new ATOM 683 N LEU A 668 2.054 -9.058 -1.553 1.00 0.21 N ATOM 684 CA LEU A 668 2.876 -8.019 -2.175 1.00 0.19 C ATOM 685 C LEU A 668 3.654 -7.242 -1.118 1.00 0.17 C ATOM 686 O LEU A 668 4.814 -6.876 -1.330 1.00 0.17 O ATOM 687 CB LEU A 668 2.012 -7.055 -3.002 1.00 0.21 C ATOM 688 CG LEU A 668 1.716 -7.485 -4.448 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.136 -8.887 -4.508 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.762 -6.501 -5.102 1.00 0.80 C ATOM 0 H LEU A 668 1.050 -8.932 -1.679 1.00 0.21 H new ATOM 0 HA LEU A 668 3.583 -8.511 -2.843 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.063 -6.915 -2.485 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.508 -6.085 -3.027 1.00 0.21 H new ATOM 0 HG LEU A 668 2.661 -7.490 -4.992 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.940 -9.156 -5.546 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.846 -9.593 -4.078 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.205 -8.920 -3.943 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.560 -6.816 -6.126 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.172 -6.471 -4.540 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.212 -5.508 -5.110 1.00 0.80 H new ATOM 702 N ALA A 669 3.036 -7.027 0.038 1.00 0.18 N ATOM 703 CA ALA A 669 3.678 -6.284 1.109 1.00 0.19 C ATOM 704 C ALA A 669 4.697 -7.161 1.817 1.00 0.20 C ATOM 705 O ALA A 669 5.703 -6.673 2.329 1.00 0.22 O ATOM 706 CB ALA A 669 2.645 -5.775 2.097 1.00 0.23 C ATOM 0 H ALA A 669 2.095 -7.356 0.254 1.00 0.18 H new ATOM 0 HA ALA A 669 4.193 -5.426 0.676 1.00 0.19 H new ATOM 0 HB1 ALA A 669 3.144 -5.221 2.892 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.942 -5.119 1.583 1.00 0.23 H new ATOM 0 HB3 ALA A 669 2.105 -6.619 2.526 1.00 0.23 H new ATOM 712 N ARG A 670 4.425 -8.459 1.850 1.00 0.22 N ATOM 713 CA ARG A 670 5.356 -9.424 2.411 1.00 0.26 C ATOM 714 C ARG A 670 6.651 -9.431 1.611 1.00 0.23 C ATOM 715 O ARG A 670 7.745 -9.381 2.181 1.00 0.25 O ATOM 716 CB ARG A 670 4.733 -10.821 2.428 1.00 0.33 C ATOM 717 CG ARG A 670 5.671 -11.905 2.931 1.00 0.41 C ATOM 718 CD ARG A 670 4.945 -13.224 3.113 1.00 0.83 C ATOM 719 NE ARG A 670 3.889 -13.123 4.118 1.00 1.62 N ATOM 720 CZ ARG A 670 3.100 -14.132 4.476 1.00 2.33 C ATOM 721 NH1 ARG A 670 3.236 -15.322 3.908 1.00 2.41 N ATOM 722 NH2 ARG A 670 2.176 -13.944 5.408 1.00 3.33 N ATOM 0 H ARG A 670 3.562 -8.868 1.492 1.00 0.22 H new ATOM 0 HA ARG A 670 5.581 -9.134 3.438 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.843 -10.804 3.056 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.407 -11.075 1.420 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.492 -12.034 2.226 1.00 0.41 H new ATOM 0 HG3 ARG A 670 6.111 -11.596 3.879 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.514 -13.537 2.162 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.657 -13.994 3.409 1.00 0.83 H new ATOM 0 HE ARG A 670 3.748 -12.221 4.574 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.948 -15.467 3.193 1.00 2.41 H new ATOM 0 HH12 ARG A 670 2.628 -16.092 4.186 1.00 2.41 H new ATOM 0 HH21 ARG A 670 2.073 -13.029 5.847 1.00 3.33 H new ATOM 0 HH22 ARG A 670 1.568 -14.714 5.686 1.00 3.33 H new ATOM 736 N GLU A 671 6.529 -9.465 0.287 1.00 0.22 N ATOM 737 CA GLU A 671 7.703 -9.417 -0.568 1.00 0.23 C ATOM 738 C GLU A 671 8.394 -8.069 -0.416 1.00 0.19 C ATOM 739 O GLU A 671 9.620 -7.996 -0.336 1.00 0.21 O ATOM 740 CB GLU A 671 7.339 -9.678 -2.033 1.00 0.30 C ATOM 741 CG GLU A 671 8.558 -9.729 -2.942 1.00 0.38 C ATOM 742 CD GLU A 671 8.234 -10.160 -4.357 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.350 -9.324 -5.275 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.826 -11.325 -4.550 1.00 1.11 O ATOM 0 H GLU A 671 5.640 -9.525 -0.209 1.00 0.22 H new ATOM 0 HA GLU A 671 8.388 -10.206 -0.258 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.797 -10.621 -2.106 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.665 -8.895 -2.380 1.00 0.30 H new ATOM 0 HG2 GLU A 671 9.025 -8.744 -2.968 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.289 -10.417 -2.519 1.00 0.38 H new ATOM 751 N ALA A 672 7.599 -7.004 -0.355 1.00 0.17 N ATOM 752 CA ALA A 672 8.130 -5.668 -0.110 1.00 0.18 C ATOM 753 C ALA A 672 8.924 -5.627 1.193 1.00 0.20 C ATOM 754 O ALA A 672 9.988 -5.014 1.269 1.00 0.23 O ATOM 755 CB ALA A 672 7.004 -4.648 -0.075 1.00 0.21 C ATOM 0 H ALA A 672 6.586 -7.041 -0.472 1.00 0.17 H new ATOM 0 HA ALA A 672 8.805 -5.416 -0.928 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.417 -3.656 0.109 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.480 -4.651 -1.031 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.306 -4.904 0.722 1.00 0.21 H new ATOM 761 N GLU A 673 8.402 -6.299 2.211 1.00 0.22 N ATOM 762 CA GLU A 673 9.060 -6.379 3.505 1.00 0.28 C ATOM 763 C GLU A 673 10.394 -7.108 3.379 1.00 0.28 C ATOM 764 O GLU A 673 11.411 -6.669 3.925 1.00 0.31 O ATOM 765 CB GLU A 673 8.157 -7.108 4.499 1.00 0.34 C ATOM 766 CG GLU A 673 8.698 -7.140 5.915 1.00 0.70 C ATOM 767 CD GLU A 673 7.873 -8.023 6.825 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.688 -7.708 7.057 1.00 1.16 O ATOM 769 OE2 GLU A 673 8.404 -9.045 7.311 1.00 1.76 O ATOM 0 H GLU A 673 7.515 -6.801 2.162 1.00 0.22 H new ATOM 0 HA GLU A 673 9.250 -5.368 3.867 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.179 -6.627 4.506 1.00 0.34 H new ATOM 0 HB3 GLU A 673 8.007 -8.131 4.155 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.727 -7.498 5.900 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.719 -6.127 6.317 1.00 0.70 H new ATOM 776 N MET A 674 10.384 -8.213 2.638 1.00 0.27 N ATOM 777 CA MET A 674 11.588 -9.014 2.443 1.00 0.31 C ATOM 778 C MET A 674 12.619 -8.261 1.608 1.00 0.29 C ATOM 779 O MET A 674 13.819 -8.467 1.766 1.00 0.34 O ATOM 780 CB MET A 674 11.264 -10.354 1.770 1.00 0.36 C ATOM 781 CG MET A 674 10.409 -11.284 2.618 1.00 0.54 C ATOM 782 SD MET A 674 10.291 -12.948 1.922 1.00 0.60 S ATOM 783 CE MET A 674 9.503 -12.622 0.346 1.00 0.79 C ATOM 0 H MET A 674 9.556 -8.573 2.163 1.00 0.27 H new ATOM 0 HA MET A 674 12.006 -9.210 3.431 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.748 -10.161 0.829 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.198 -10.860 1.524 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.829 -11.343 3.622 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.408 -10.863 2.716 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.383 -13.557 -0.201 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.525 -12.172 0.515 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.122 -11.938 -0.236 1.00 0.79 H new ATOM 793 N LEU A 675 12.153 -7.392 0.720 1.00 0.26 N ATOM 794 CA LEU A 675 13.049 -6.613 -0.132 1.00 0.27 C ATOM 795 C LEU A 675 13.578 -5.390 0.602 1.00 0.30 C ATOM 796 O LEU A 675 14.692 -4.937 0.345 1.00 0.39 O ATOM 797 CB LEU A 675 12.327 -6.174 -1.413 1.00 0.27 C ATOM 798 CG LEU A 675 12.490 -7.096 -2.631 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.927 -7.080 -3.124 1.00 0.53 C ATOM 800 CD2 LEU A 675 12.058 -8.518 -2.309 1.00 0.47 C ATOM 0 H LEU A 675 11.161 -7.207 0.569 1.00 0.26 H new ATOM 0 HA LEU A 675 13.892 -7.251 -0.396 1.00 0.27 H new ATOM 0 HB2 LEU A 675 11.264 -6.081 -1.193 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.684 -5.181 -1.685 1.00 0.27 H new ATOM 0 HG LEU A 675 11.843 -6.718 -3.423 1.00 0.32 H new ATOM 0 HD11 LEU A 675 14.023 -7.739 -3.987 1.00 0.53 H new ATOM 0 HD12 LEU A 675 14.202 -6.065 -3.410 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.588 -7.425 -2.329 1.00 0.53 H new ATOM 0 HD21 LEU A 675 12.185 -9.146 -3.191 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.669 -8.908 -1.495 1.00 0.47 H new ATOM 0 HD23 LEU A 675 11.010 -8.521 -2.010 1.00 0.47 H new ATOM 812 N PHE A 676 12.775 -4.854 1.508 1.00 0.30 N ATOM 813 CA PHE A 676 13.160 -3.663 2.252 1.00 0.37 C ATOM 814 C PHE A 676 14.243 -3.993 3.270 1.00 0.42 C ATOM 815 O PHE A 676 15.231 -3.269 3.394 1.00 0.46 O ATOM 816 CB PHE A 676 11.940 -3.047 2.949 1.00 0.44 C ATOM 817 CG PHE A 676 12.223 -1.728 3.617 1.00 0.56 C ATOM 818 CD1 PHE A 676 12.194 -1.617 4.997 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.524 -0.602 2.864 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.460 -0.411 5.615 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.789 0.608 3.477 1.00 0.82 C ATOM 822 CZ PHE A 676 12.733 0.714 4.843 1.00 0.82 C ATOM 0 H PHE A 676 11.854 -5.223 1.746 1.00 0.30 H new ATOM 0 HA PHE A 676 13.561 -2.934 1.548 1.00 0.37 H new ATOM 0 HB2 PHE A 676 11.146 -2.909 2.216 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.567 -3.749 3.695 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.961 -2.484 5.597 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.552 -0.672 1.787 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.456 -0.341 6.693 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.041 1.472 2.879 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.900 1.669 5.319 1.00 0.82 H new ATOM 944 N ASP A 685 16.548 -3.637 -1.224 1.00 0.36 N ATOM 945 CA ASP A 685 16.403 -2.728 -2.348 1.00 0.32 C ATOM 946 C ASP A 685 15.192 -1.826 -2.152 1.00 0.27 C ATOM 947 O ASP A 685 14.058 -2.233 -2.420 1.00 0.26 O ATOM 948 CB ASP A 685 16.254 -3.514 -3.654 1.00 0.35 C ATOM 949 CG ASP A 685 16.306 -2.610 -4.864 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.423 -2.348 -5.360 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.238 -2.150 -5.317 1.00 1.68 O ATOM 0 HA ASP A 685 17.299 -2.110 -2.404 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.047 -4.258 -3.722 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.308 -4.056 -3.646 1.00 0.35 H new ATOM 956 N PRO A 686 15.410 -0.590 -1.665 1.00 0.29 N ATOM 957 CA PRO A 686 14.325 0.377 -1.417 1.00 0.29 C ATOM 958 C PRO A 686 13.461 0.647 -2.651 1.00 0.25 C ATOM 959 O PRO A 686 12.276 0.961 -2.528 1.00 0.25 O ATOM 960 CB PRO A 686 15.071 1.650 -1.005 1.00 0.37 C ATOM 961 CG PRO A 686 16.364 1.163 -0.454 1.00 0.42 C ATOM 962 CD PRO A 686 16.729 -0.037 -1.289 1.00 0.37 C ATOM 0 HA PRO A 686 13.626 0.004 -0.668 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.227 2.312 -1.857 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.510 2.215 -0.261 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.133 1.933 -0.516 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.266 0.895 0.598 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.314 0.243 -2.165 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.323 -0.756 -0.725 1.00 0.37 H new ATOM 970 N GLN A 687 14.050 0.501 -3.834 1.00 0.25 N ATOM 971 CA GLN A 687 13.342 0.778 -5.077 1.00 0.27 C ATOM 972 C GLN A 687 12.231 -0.243 -5.304 1.00 0.23 C ATOM 973 O GLN A 687 11.059 0.122 -5.458 1.00 0.24 O ATOM 974 CB GLN A 687 14.317 0.775 -6.260 1.00 0.35 C ATOM 975 CG GLN A 687 13.646 0.979 -7.612 1.00 0.65 C ATOM 976 CD GLN A 687 12.871 2.283 -7.697 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.238 3.280 -7.075 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.785 2.282 -8.455 1.00 1.23 N ATOM 0 H GLN A 687 15.015 0.193 -3.957 1.00 0.25 H new ATOM 0 HA GLN A 687 12.890 1.767 -5.000 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.057 1.561 -6.110 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.856 -0.172 -6.272 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.404 0.961 -8.395 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.969 0.147 -7.805 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.513 1.436 -8.955 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.221 3.127 -8.538 1.00 1.23 H new ATOM 987 N ARG A 688 12.591 -1.522 -5.283 1.00 0.22 N ATOM 988 CA ARG A 688 11.617 -2.578 -5.489 1.00 0.23 C ATOM 989 C ARG A 688 10.654 -2.623 -4.316 1.00 0.18 C ATOM 990 O ARG A 688 9.475 -2.938 -4.477 1.00 0.20 O ATOM 991 CB ARG A 688 12.303 -3.935 -5.667 1.00 0.29 C ATOM 992 CG ARG A 688 11.327 -5.074 -5.914 1.00 0.70 C ATOM 993 CD ARG A 688 12.044 -6.382 -6.189 1.00 0.78 C ATOM 994 NE ARG A 688 11.119 -7.512 -6.249 1.00 1.67 N ATOM 995 CZ ARG A 688 11.352 -8.633 -6.928 1.00 2.16 C ATOM 996 NH1 ARG A 688 12.465 -8.765 -7.642 1.00 1.85 N ATOM 997 NH2 ARG A 688 10.469 -9.620 -6.895 1.00 3.24 N ATOM 0 H ARG A 688 13.545 -1.847 -5.126 1.00 0.22 H new ATOM 0 HA ARG A 688 11.062 -2.362 -6.402 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.000 -3.875 -6.503 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.891 -4.157 -4.777 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.678 -5.191 -5.046 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.686 -4.826 -6.760 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.586 -6.307 -7.132 1.00 0.78 H new ATOM 0 HD3 ARG A 688 12.784 -6.561 -5.409 1.00 0.78 H new ATOM 0 HE ARG A 688 10.239 -7.437 -5.738 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.145 -8.005 -7.671 1.00 1.85 H new ATOM 0 HH12 ARG A 688 12.639 -9.626 -8.161 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.613 -9.520 -6.350 1.00 3.24 H new ATOM 0 HH22 ARG A 688 10.646 -10.480 -7.415 1.00 3.24 H new ATOM 1011 N SER A 689 11.162 -2.293 -3.134 1.00 0.16 N ATOM 1012 CA SER A 689 10.332 -2.226 -1.943 1.00 0.17 C ATOM 1013 C SER A 689 9.165 -1.265 -2.151 1.00 0.15 C ATOM 1014 O SER A 689 8.012 -1.623 -1.893 1.00 0.16 O ATOM 1015 CB SER A 689 11.159 -1.795 -0.736 1.00 0.21 C ATOM 1016 OG SER A 689 12.265 -2.657 -0.549 1.00 1.11 O ATOM 0 H SER A 689 12.145 -2.068 -2.978 1.00 0.16 H new ATOM 0 HA SER A 689 9.931 -3.222 -1.754 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.509 -0.772 -0.876 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.535 -1.798 0.158 1.00 0.21 H new ATOM 0 HG SER A 689 12.987 -2.399 -1.159 1.00 1.11 H new ATOM 1022 N GLY A 690 9.442 -0.053 -2.646 1.00 0.16 N ATOM 1023 CA GLY A 690 8.379 0.899 -2.879 1.00 0.18 C ATOM 1024 C GLY A 690 7.488 0.491 -4.025 1.00 0.17 C ATOM 1025 O GLY A 690 6.289 0.757 -4.006 1.00 0.19 O ATOM 0 H GLY A 690 10.377 0.276 -2.885 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.780 1.000 -1.974 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.810 1.878 -3.087 1.00 0.18 H new ATOM 1029 N ASP A 691 8.068 -0.169 -5.020 1.00 0.17 N ATOM 1030 CA ASP A 691 7.288 -0.646 -6.158 1.00 0.20 C ATOM 1031 C ASP A 691 6.285 -1.694 -5.690 1.00 0.18 C ATOM 1032 O ASP A 691 5.123 -1.687 -6.088 1.00 0.22 O ATOM 1033 CB ASP A 691 8.195 -1.235 -7.241 1.00 0.26 C ATOM 1034 CG ASP A 691 7.418 -1.655 -8.472 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.688 -0.812 -9.034 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.531 -2.830 -8.880 1.00 1.54 O ATOM 0 H ASP A 691 9.064 -0.385 -5.064 1.00 0.17 H new ATOM 0 HA ASP A 691 6.755 0.202 -6.589 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.948 -0.498 -7.522 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.727 -2.097 -6.838 1.00 0.26 H new ATOM 1041 N LEU A 692 6.734 -2.568 -4.806 1.00 0.16 N ATOM 1042 CA LEU A 692 5.878 -3.608 -4.263 1.00 0.16 C ATOM 1043 C LEU A 692 4.847 -3.024 -3.309 1.00 0.15 C ATOM 1044 O LEU A 692 3.706 -3.476 -3.278 1.00 0.16 O ATOM 1045 CB LEU A 692 6.719 -4.666 -3.558 1.00 0.20 C ATOM 1046 CG LEU A 692 7.535 -5.559 -4.484 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.651 -6.244 -3.717 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.630 -6.589 -5.136 1.00 0.73 C ATOM 0 H LEU A 692 7.689 -2.578 -4.448 1.00 0.16 H new ATOM 0 HA LEU A 692 5.343 -4.077 -5.089 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.398 -4.168 -2.866 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.059 -5.294 -2.960 1.00 0.20 H new ATOM 0 HG LEU A 692 7.985 -4.941 -5.261 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.223 -6.878 -4.395 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.309 -5.491 -3.282 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.224 -6.856 -2.922 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.219 -7.225 -5.797 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.162 -7.202 -4.366 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.858 -6.081 -5.714 1.00 0.73 H new ATOM 1060 N TYR A 693 5.239 -2.013 -2.538 1.00 0.15 N ATOM 1061 CA TYR A 693 4.309 -1.366 -1.619 1.00 0.17 C ATOM 1062 C TYR A 693 3.268 -0.535 -2.367 1.00 0.18 C ATOM 1063 O TYR A 693 2.124 -0.432 -1.930 1.00 0.20 O ATOM 1064 CB TYR A 693 5.038 -0.502 -0.582 1.00 0.21 C ATOM 1065 CG TYR A 693 5.434 -1.266 0.666 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.483 -1.962 1.402 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.750 -1.287 1.113 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.831 -2.658 2.543 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.105 -1.983 2.254 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.142 -2.667 2.964 1.00 1.05 C ATOM 1071 OH TYR A 693 6.493 -3.363 4.100 1.00 1.33 O ATOM 0 H TYR A 693 6.184 -1.628 -2.531 1.00 0.15 H new ATOM 0 HA TYR A 693 3.791 -2.163 -1.086 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.932 -0.077 -1.038 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.396 0.333 -0.300 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.453 -1.959 1.076 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.507 -0.751 0.560 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.078 -3.193 3.103 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.132 -1.991 2.587 1.00 0.96 H new ATOM 0 HH TYR A 693 7.456 -3.268 4.257 1.00 1.33 H new ATOM 1081 N THR A 694 3.651 0.046 -3.500 1.00 0.19 N ATOM 1082 CA THR A 694 2.696 0.788 -4.312 1.00 0.22 C ATOM 1083 C THR A 694 1.742 -0.176 -5.004 1.00 0.20 C ATOM 1084 O THR A 694 0.542 0.092 -5.116 1.00 0.21 O ATOM 1085 CB THR A 694 3.385 1.698 -5.351 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.471 1.007 -5.977 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.895 2.971 -4.699 1.00 0.31 C ATOM 0 H THR A 694 4.601 0.018 -3.871 1.00 0.19 H new ATOM 0 HA THR A 694 2.136 1.439 -3.641 1.00 0.22 H new ATOM 0 HB THR A 694 2.647 1.964 -6.108 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.271 1.079 -5.416 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.377 3.597 -5.450 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.059 3.513 -4.257 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.616 2.718 -3.921 1.00 0.31 H new ATOM 1095 N GLN A 695 2.272 -1.319 -5.431 1.00 0.19 N ATOM 1096 CA GLN A 695 1.434 -2.373 -5.975 1.00 0.20 C ATOM 1097 C GLN A 695 0.501 -2.889 -4.885 1.00 0.17 C ATOM 1098 O GLN A 695 -0.683 -3.136 -5.122 1.00 0.18 O ATOM 1099 CB GLN A 695 2.279 -3.530 -6.520 1.00 0.25 C ATOM 1100 CG GLN A 695 3.095 -3.188 -7.760 1.00 0.85 C ATOM 1101 CD GLN A 695 3.842 -4.392 -8.309 1.00 1.44 C ATOM 1102 OE1 GLN A 695 4.215 -5.314 -7.432 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 4.079 -4.495 -9.512 1.00 2.13 N flip ATOM 0 H GLN A 695 3.269 -1.534 -5.410 1.00 0.19 H new ATOM 0 HA GLN A 695 0.854 -1.960 -6.800 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.957 -3.868 -5.736 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.620 -4.366 -6.754 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.433 -2.792 -8.530 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.808 -2.400 -7.517 1.00 0.85 H new ATOM 0 HE21 GLN A 695 3.776 -3.764 -10.156 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.579 -5.311 -9.865 1.00 2.13 H new ATOM 1112 N ALA A 696 1.046 -3.042 -3.681 1.00 0.16 N ATOM 1113 CA ALA A 696 0.267 -3.474 -2.537 1.00 0.16 C ATOM 1114 C ALA A 696 -0.832 -2.473 -2.207 1.00 0.16 C ATOM 1115 O ALA A 696 -1.947 -2.868 -1.879 1.00 0.16 O ATOM 1116 CB ALA A 696 1.163 -3.700 -1.328 1.00 0.18 C ATOM 0 H ALA A 696 2.031 -2.871 -3.478 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.207 -4.420 -2.798 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.557 -4.024 -0.482 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.901 -4.468 -1.561 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.673 -2.771 -1.075 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.533 -1.176 -2.304 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.541 -0.151 -2.064 1.00 0.17 C ATOM 1124 C ALA A 697 -2.633 -0.229 -3.114 1.00 0.16 C ATOM 1125 O ALA A 697 -3.816 -0.061 -2.810 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.911 1.235 -2.061 1.00 0.20 C ATOM 0 H ALA A 697 0.391 -0.817 -2.545 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.983 -0.330 -1.084 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.681 1.984 -1.880 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.159 1.291 -1.274 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.441 1.423 -3.026 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.228 -0.507 -4.349 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.175 -0.709 -5.430 1.00 0.20 C ATOM 1134 C GLU A 698 -4.093 -1.876 -5.091 1.00 0.18 C ATOM 1135 O GLU A 698 -5.313 -1.786 -5.217 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.441 -0.995 -6.739 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.372 -1.301 -7.900 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.667 -1.993 -9.043 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.740 -3.235 -9.136 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.027 -1.294 -9.860 1.00 1.40 O ATOM 0 H GLU A 698 -1.249 -0.597 -4.622 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.766 0.199 -5.553 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.823 -0.134 -6.996 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.767 -1.839 -6.592 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.190 -1.930 -7.549 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.815 -0.373 -8.260 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.495 -2.962 -4.620 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.242 -4.158 -4.280 1.00 0.18 C ATOM 1149 C ALA A 699 -5.098 -3.931 -3.037 1.00 0.15 C ATOM 1150 O ALA A 699 -6.129 -4.573 -2.856 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.290 -5.321 -4.068 1.00 0.21 C ATOM 0 H ALA A 699 -2.490 -3.036 -4.465 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.910 -4.396 -5.107 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.859 -6.215 -3.813 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.724 -5.499 -4.982 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.602 -5.085 -3.256 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.656 -3.021 -2.181 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.393 -2.684 -0.972 1.00 0.13 C ATOM 1159 C ALA A 700 -6.637 -1.878 -1.303 1.00 0.13 C ATOM 1160 O ALA A 700 -7.724 -2.177 -0.813 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.511 -1.924 -0.001 1.00 0.14 C ATOM 0 H ALA A 700 -3.787 -2.501 -2.302 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.706 -3.614 -0.498 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -5.081 -1.682 0.896 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.653 -2.540 0.270 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.163 -1.003 -0.469 1.00 0.14 H new ATOM 1167 N MET A 701 -6.483 -0.865 -2.146 1.00 0.15 N ATOM 1168 CA MET A 701 -7.620 -0.058 -2.571 1.00 0.20 C ATOM 1169 C MET A 701 -8.557 -0.904 -3.434 1.00 0.23 C ATOM 1170 O MET A 701 -9.760 -0.669 -3.482 1.00 0.28 O ATOM 1171 CB MET A 701 -7.153 1.187 -3.335 1.00 0.27 C ATOM 1172 CG MET A 701 -6.621 0.903 -4.731 1.00 0.44 C ATOM 1173 SD MET A 701 -6.043 2.388 -5.574 1.00 0.74 S ATOM 1174 CE MET A 701 -5.644 1.731 -7.192 1.00 0.76 C ATOM 0 H MET A 701 -5.588 -0.584 -2.547 1.00 0.15 H new ATOM 0 HA MET A 701 -8.161 0.280 -1.687 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.986 1.885 -3.412 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.374 1.683 -2.756 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.802 0.187 -4.664 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.406 0.435 -5.326 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.671 2.108 -7.508 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.614 0.642 -7.145 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.404 2.042 -7.909 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.976 -1.906 -4.084 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.720 -2.864 -4.892 1.00 0.31 C ATOM 1186 C GLU A 702 -9.518 -3.814 -3.998 1.00 0.29 C ATOM 1187 O GLU A 702 -10.596 -4.289 -4.360 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.720 -3.646 -5.748 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.293 -4.831 -6.499 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.228 -5.563 -7.286 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -6.941 -5.155 -8.428 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -6.653 -6.544 -6.761 1.00 2.58 O ATOM 0 H GLU A 702 -6.971 -2.077 -4.065 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.429 -2.340 -5.533 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.273 -2.962 -6.469 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -6.915 -4.001 -5.104 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -8.760 -5.518 -5.793 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.075 -4.489 -7.176 1.00 1.14 H new ATOM 1199 N ALA A 703 -8.977 -4.074 -2.817 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.597 -4.989 -1.874 1.00 0.32 C ATOM 1201 C ALA A 703 -10.460 -4.243 -0.861 1.00 0.33 C ATOM 1202 O ALA A 703 -10.792 -4.780 0.197 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.533 -5.809 -1.166 1.00 0.39 C ATOM 0 H ALA A 703 -8.104 -3.661 -2.489 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.249 -5.661 -2.432 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.008 -6.491 -0.462 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -7.967 -6.382 -1.900 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.859 -5.143 -0.627 1.00 0.39 H new ATOM 1209 N MET A 704 -10.808 -3.000 -1.192 1.00 0.33 N ATOM 1210 CA MET A 704 -11.696 -2.182 -0.363 1.00 0.44 C ATOM 1211 C MET A 704 -11.066 -1.881 0.996 1.00 0.41 C ATOM 1212 O MET A 704 -11.772 -1.716 1.991 1.00 0.58 O ATOM 1213 CB MET A 704 -13.046 -2.889 -0.148 1.00 0.61 C ATOM 1214 CG MET A 704 -13.724 -3.351 -1.426 1.00 1.01 C ATOM 1215 SD MET A 704 -15.246 -4.263 -1.102 1.00 2.03 S ATOM 1216 CE MET A 704 -15.693 -4.754 -2.763 1.00 2.61 C ATOM 0 H MET A 704 -10.484 -2.532 -2.039 1.00 0.33 H new ATOM 0 HA MET A 704 -11.858 -1.243 -0.893 1.00 0.44 H new ATOM 0 HB2 MET A 704 -12.891 -3.752 0.499 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.717 -2.211 0.380 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.947 -2.485 -2.050 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.038 -3.982 -1.991 1.00 1.01 H new ATOM 0 HE1 MET A 704 -16.618 -5.330 -2.736 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.836 -3.866 -3.379 1.00 2.61 H new ATOM 0 HE3 MET A 704 -14.897 -5.366 -3.188 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.741 -1.812 1.042 1.00 0.30 N ATOM 1227 CA LYS A 705 -9.032 -1.600 2.300 1.00 0.34 C ATOM 1228 C LYS A 705 -8.312 -0.252 2.298 1.00 0.31 C ATOM 1229 O LYS A 705 -7.126 -0.170 1.968 1.00 0.30 O ATOM 1230 CB LYS A 705 -8.022 -2.729 2.545 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.614 -4.129 2.478 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.750 -4.313 3.471 1.00 0.70 C ATOM 1233 CE LYS A 705 -10.309 -5.728 3.426 1.00 1.02 C ATOM 1234 NZ LYS A 705 -9.358 -6.725 3.991 1.00 1.59 N ATOM 0 H LYS A 705 -9.136 -1.899 0.225 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.768 -1.601 3.104 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.222 -2.650 1.808 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.567 -2.587 3.525 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -8.979 -4.321 1.469 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.834 -4.863 2.679 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -9.394 -4.094 4.477 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.545 -3.600 3.252 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -11.245 -5.765 3.983 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -10.541 -5.993 2.394 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -9.735 -7.684 3.848 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -8.439 -6.639 3.511 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -9.235 -6.549 5.009 1.00 1.59 H new ATOM 1248 N GLY A 706 -9.041 0.799 2.674 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.485 2.142 2.689 1.00 0.47 C ATOM 1250 C GLY A 706 -7.252 2.285 3.568 1.00 0.42 C ATOM 1251 O GLY A 706 -6.204 2.735 3.101 1.00 0.40 O ATOM 0 H GLY A 706 -10.015 0.741 2.971 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -8.229 2.431 1.670 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.249 2.838 3.035 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.364 1.897 4.836 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.257 2.060 5.780 1.00 0.47 C ATOM 1257 C ARG A 707 -5.035 1.255 5.343 1.00 0.38 C ATOM 1258 O ARG A 707 -3.898 1.697 5.513 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.668 1.651 7.196 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.584 1.897 8.240 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.209 3.371 8.318 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.132 3.623 9.274 1.00 2.07 N ATOM 1263 CZ ARG A 707 -3.754 4.840 9.668 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -4.367 5.919 9.195 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -2.758 4.977 10.535 1.00 3.90 N ATOM 0 H ARG A 707 -8.201 1.471 5.233 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.995 3.118 5.786 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.565 2.202 7.479 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.930 0.593 7.198 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -5.933 1.557 9.215 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.700 1.308 7.994 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -4.903 3.718 7.331 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.087 3.952 8.602 1.00 1.28 H new ATOM 0 HE ARG A 707 -3.640 2.819 9.663 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -5.131 5.820 8.527 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -4.074 6.847 9.500 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -2.282 4.152 10.900 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -2.469 5.907 10.836 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.271 0.081 4.770 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.182 -0.751 4.269 1.00 0.30 C ATOM 1281 C LEU A 708 -3.463 -0.032 3.139 1.00 0.23 C ATOM 1282 O LEU A 708 -2.232 -0.008 3.089 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.702 -2.110 3.783 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.917 -3.179 4.866 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.596 -3.554 5.516 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.912 -2.709 5.918 1.00 1.02 C ATOM 0 H LEU A 708 -6.202 -0.316 4.641 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.484 -0.930 5.086 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.648 -1.950 3.266 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -4.000 -2.503 3.048 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.332 -4.063 4.383 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.769 -4.312 6.280 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.918 -3.949 4.760 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.153 -2.670 5.975 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -6.042 -3.488 6.670 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.537 -1.804 6.395 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.871 -2.499 5.444 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.247 0.566 2.249 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.707 1.352 1.150 1.00 0.18 C ATOM 1300 C ALA A 709 -2.881 2.514 1.686 1.00 0.19 C ATOM 1301 O ALA A 709 -1.807 2.812 1.165 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.826 1.848 0.244 1.00 0.21 C ATOM 0 H ALA A 709 -5.266 0.520 2.269 1.00 0.20 H new ATOM 0 HA ALA A 709 -3.052 0.715 0.555 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.401 2.434 -0.571 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.368 0.995 -0.165 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.511 2.471 0.819 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.375 3.146 2.748 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.648 4.233 3.401 1.00 0.29 C ATOM 1310 C ASN A 710 -1.314 3.733 3.941 1.00 0.25 C ATOM 1311 O ASN A 710 -0.271 4.328 3.679 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.475 4.832 4.546 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.702 5.859 5.361 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.043 5.520 6.344 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.776 7.122 4.968 1.00 1.45 N ATOM 0 H ASN A 710 -4.275 2.925 3.175 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.465 5.008 2.657 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.369 5.300 4.135 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.809 4.030 5.204 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -2.278 7.847 5.485 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.331 7.370 4.149 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.360 2.635 4.692 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.158 2.040 5.267 1.00 0.26 C ATOM 1324 C GLN A 711 0.872 1.727 4.184 1.00 0.22 C ATOM 1325 O GLN A 711 2.015 2.181 4.248 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.516 0.758 6.025 1.00 0.32 C ATOM 1327 CG GLN A 711 0.680 0.085 6.678 1.00 1.24 C ATOM 1328 CD GLN A 711 0.372 -1.306 7.216 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.536 -2.024 6.564 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 0.961 -1.741 8.206 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.222 2.138 4.917 1.00 0.25 H new ATOM 0 HA GLN A 711 0.277 2.761 5.959 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.254 0.993 6.792 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.985 0.057 5.335 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.489 0.014 5.951 1.00 1.24 H new ATOM 0 HG3 GLN A 711 1.039 0.711 7.495 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.653 -1.163 8.683 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.757 -2.680 8.549 1.00 1.09 H new ATOM 1339 N TYR A 712 0.464 0.944 3.196 1.00 0.20 N ATOM 1340 CA TYR A 712 1.367 0.546 2.123 1.00 0.20 C ATOM 1341 C TYR A 712 1.867 1.750 1.327 1.00 0.20 C ATOM 1342 O TYR A 712 3.004 1.752 0.859 1.00 0.21 O ATOM 1343 CB TYR A 712 0.709 -0.486 1.210 1.00 0.22 C ATOM 1344 CG TYR A 712 0.312 -1.748 1.946 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.118 -2.281 2.945 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.871 -2.400 1.647 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.752 -3.426 3.622 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -1.244 -3.547 2.319 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.430 -4.056 3.305 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.801 -5.198 3.976 1.00 0.44 O ATOM 0 H TYR A 712 -0.482 0.572 3.114 1.00 0.20 H new ATOM 0 HA TYR A 712 2.238 0.082 2.585 1.00 0.20 H new ATOM 0 HB2 TYR A 712 -0.175 -0.046 0.749 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.396 -0.742 0.403 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.047 -1.790 3.196 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.514 -2.005 0.874 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.390 -3.826 4.397 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -2.171 -4.043 2.072 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.441 -5.174 4.887 1.00 0.44 H new ATOM 1360 N TYR A 713 1.044 2.787 1.199 1.00 0.21 N ATOM 1361 CA TYR A 713 1.477 4.005 0.521 1.00 0.25 C ATOM 1362 C TYR A 713 2.502 4.733 1.391 1.00 0.23 C ATOM 1363 O TYR A 713 3.508 5.248 0.898 1.00 0.25 O ATOM 1364 CB TYR A 713 0.279 4.914 0.225 1.00 0.32 C ATOM 1365 CG TYR A 713 0.575 6.016 -0.767 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.607 7.348 -0.372 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.815 5.721 -2.103 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.870 8.355 -1.284 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.080 6.720 -3.018 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.105 8.035 -2.604 1.00 2.20 C ATOM 1371 OH TYR A 713 1.363 9.035 -3.515 1.00 2.95 O ATOM 0 H TYR A 713 0.087 2.810 1.550 1.00 0.21 H new ATOM 0 HA TYR A 713 1.939 3.739 -0.430 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.540 4.305 -0.157 1.00 0.32 H new ATOM 0 HB3 TYR A 713 -0.064 5.361 1.158 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.424 7.601 0.662 1.00 1.81 H new ATOM 0 HD2 TYR A 713 0.794 4.692 -2.431 1.00 0.96 H new ATOM 0 HE1 TYR A 713 0.891 9.386 -0.963 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.267 6.473 -4.053 1.00 1.50 H new ATOM 0 HH TYR A 713 1.508 8.641 -4.401 1.00 2.95 H new ATOM 1381 N GLN A 714 2.249 4.722 2.697 1.00 0.24 N ATOM 1382 CA GLN A 714 3.155 5.307 3.679 1.00 0.28 C ATOM 1383 C GLN A 714 4.478 4.551 3.691 1.00 0.23 C ATOM 1384 O GLN A 714 5.539 5.121 3.957 1.00 0.26 O ATOM 1385 CB GLN A 714 2.511 5.258 5.067 1.00 0.36 C ATOM 1386 CG GLN A 714 3.381 5.817 6.178 1.00 0.65 C ATOM 1387 CD GLN A 714 2.757 5.644 7.552 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.433 5.626 7.612 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 3.462 5.524 8.554 1.00 1.98 N flip ATOM 0 H GLN A 714 1.410 4.307 3.103 1.00 0.24 H new ATOM 0 HA GLN A 714 3.349 6.345 3.409 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.574 5.814 5.040 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.261 4.224 5.303 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.351 5.321 6.159 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.561 6.876 5.995 1.00 0.65 H new ATOM 0 HE21 GLN A 714 4.478 5.543 8.468 1.00 1.98 H new ATOM 0 HE22 GLN A 714 3.030 5.406 9.470 1.00 1.98 H new ATOM 1398 N LYS A 715 4.413 3.277 3.339 1.00 0.21 N ATOM 1399 CA LYS A 715 5.592 2.430 3.352 1.00 0.22 C ATOM 1400 C LYS A 715 6.303 2.540 2.014 1.00 0.20 C ATOM 1401 O LYS A 715 7.508 2.323 1.920 1.00 0.23 O ATOM 1402 CB LYS A 715 5.228 0.971 3.654 1.00 0.27 C ATOM 1403 CG LYS A 715 5.620 0.501 5.056 1.00 0.61 C ATOM 1404 CD LYS A 715 4.972 1.340 6.153 1.00 0.86 C ATOM 1405 CE LYS A 715 5.362 0.843 7.539 1.00 1.16 C ATOM 1406 NZ LYS A 715 6.832 0.881 7.753 1.00 1.67 N ATOM 0 H LYS A 715 3.557 2.808 3.041 1.00 0.21 H new ATOM 0 HA LYS A 715 6.258 2.768 4.146 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.153 0.844 3.528 1.00 0.27 H new ATOM 0 HB3 LYS A 715 5.713 0.328 2.919 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.330 -0.542 5.181 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.704 0.545 5.161 1.00 0.61 H new ATOM 0 HD2 LYS A 715 5.272 2.382 6.041 1.00 0.86 H new ATOM 0 HD3 LYS A 715 3.888 1.307 6.045 1.00 0.86 H new ATOM 0 HE2 LYS A 715 4.870 1.455 8.295 1.00 1.16 H new ATOM 0 HE3 LYS A 715 5.003 -0.178 7.672 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 7.047 0.615 8.735 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 7.295 0.212 7.105 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.185 1.842 7.569 1.00 1.67 H new ATOM 1420 N ALA A 716 5.544 2.888 0.980 1.00 0.17 N ATOM 1421 CA ALA A 716 6.118 3.170 -0.321 1.00 0.18 C ATOM 1422 C ALA A 716 6.953 4.437 -0.248 1.00 0.21 C ATOM 1423 O ALA A 716 8.096 4.471 -0.716 1.00 0.25 O ATOM 1424 CB ALA A 716 5.026 3.305 -1.370 1.00 0.21 C ATOM 0 H ALA A 716 4.529 2.980 1.023 1.00 0.17 H new ATOM 0 HA ALA A 716 6.762 2.340 -0.612 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.477 3.517 -2.340 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.460 2.375 -1.428 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.357 4.120 -1.096 1.00 0.21 H new ATOM 1430 N GLU A 717 6.384 5.472 0.366 1.00 0.24 N ATOM 1431 CA GLU A 717 7.111 6.707 0.588 1.00 0.32 C ATOM 1432 C GLU A 717 8.317 6.445 1.473 1.00 0.31 C ATOM 1433 O GLU A 717 9.411 6.915 1.187 1.00 0.33 O ATOM 1434 CB GLU A 717 6.221 7.761 1.241 1.00 0.45 C ATOM 1435 CG GLU A 717 5.078 8.243 0.367 1.00 1.26 C ATOM 1436 CD GLU A 717 4.341 9.409 0.994 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.701 9.816 2.112 1.00 2.16 O ATOM 1438 OE2 GLU A 717 3.377 9.913 0.372 1.00 2.04 O ATOM 0 H GLU A 717 5.426 5.475 0.715 1.00 0.24 H new ATOM 0 HA GLU A 717 7.439 7.084 -0.381 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.809 7.351 2.163 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.836 8.617 1.519 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.466 8.540 -0.607 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.381 7.423 0.196 1.00 1.26 H new ATOM 1445 N GLU A 718 8.102 5.679 2.539 1.00 0.31 N ATOM 1446 CA GLU A 718 9.174 5.292 3.451 1.00 0.36 C ATOM 1447 C GLU A 718 10.313 4.621 2.690 1.00 0.33 C ATOM 1448 O GLU A 718 11.483 4.966 2.859 1.00 0.36 O ATOM 1449 CB GLU A 718 8.623 4.334 4.504 1.00 0.43 C ATOM 1450 CG GLU A 718 9.643 3.872 5.527 1.00 1.06 C ATOM 1451 CD GLU A 718 9.080 2.808 6.444 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.233 3.136 7.301 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.492 1.638 6.326 1.00 2.20 O ATOM 0 H GLU A 718 7.186 5.311 2.794 1.00 0.31 H new ATOM 0 HA GLU A 718 9.563 6.188 3.935 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.799 4.821 5.025 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.209 3.460 4.001 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.521 3.481 5.013 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.974 4.724 6.120 1.00 1.06 H new ATOM 1460 N ALA A 719 9.951 3.668 1.840 1.00 0.28 N ATOM 1461 CA ALA A 719 10.922 2.915 1.062 1.00 0.29 C ATOM 1462 C ALA A 719 11.738 3.820 0.149 1.00 0.30 C ATOM 1463 O ALA A 719 12.957 3.690 0.068 1.00 0.37 O ATOM 1464 CB ALA A 719 10.222 1.845 0.248 1.00 0.28 C ATOM 0 H ALA A 719 8.982 3.398 1.672 1.00 0.28 H new ATOM 0 HA ALA A 719 11.612 2.443 1.761 1.00 0.29 H new ATOM 0 HB1 ALA A 719 10.959 1.288 -0.330 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.696 1.164 0.917 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.507 2.312 -0.429 1.00 0.28 H new ATOM 1470 N TRP A 720 11.078 4.741 -0.536 1.00 0.26 N ATOM 1471 CA TRP A 720 11.790 5.633 -1.444 1.00 0.28 C ATOM 1472 C TRP A 720 12.500 6.756 -0.685 1.00 0.33 C ATOM 1473 O TRP A 720 13.513 7.282 -1.147 1.00 0.36 O ATOM 1474 CB TRP A 720 10.852 6.197 -2.515 1.00 0.29 C ATOM 1475 CG TRP A 720 10.418 5.160 -3.517 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.126 4.053 -3.909 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.196 5.138 -4.274 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.415 3.344 -4.845 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.232 3.989 -5.089 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.072 5.971 -4.340 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.195 3.657 -5.957 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.046 5.640 -5.203 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.112 4.490 -6.000 1.00 0.45 C ATOM 0 H TRP A 720 10.070 4.891 -0.485 1.00 0.26 H new ATOM 0 HA TRP A 720 12.556 5.043 -1.948 1.00 0.28 H new ATOM 0 HB2 TRP A 720 9.971 6.621 -2.033 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.353 7.012 -3.037 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.102 3.779 -3.535 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.719 2.477 -5.287 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.009 6.857 -3.726 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.245 2.772 -6.575 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.177 6.279 -5.265 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.291 4.257 -6.662 1.00 0.45 H new