USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=12 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 Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 173:sc= -0.536 (180deg=-0.776) USER MOD Single : A 674 MET CE :methyl -146:sc= 0 (180deg=-0.846) USER MOD Single : A 687 GLN : amide:sc= 0.606 K(o=0.61,f=-0.11) USER MOD Single : A 689 SER OG : rot 63:sc= 0.405 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -75:sc= 0.292 USER MOD Single : A 695 GLN : amide:sc= 0.536 K(o=0.54,f=0) USER MOD Single : A 701 MET CE :methyl -119:sc= 0 (180deg=-1.65!) USER MOD Single : A 704 MET CE :methyl 166:sc= -0.0302 (180deg=-0.295) USER MOD Single : A 705 LYS NZ :NH3+ -158:sc= -0.0576 (180deg=-0.424) USER MOD Single : A 710 ASN : amide:sc= -1.62! C(o=-1.6!,f=-2.3!) USER MOD Single : A 711 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 715 LYS NZ :NH3+ 145:sc= 1.24 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.443 -8.359 -1.886 1.00 0.30 N ATOM 629 CA TYR A 665 -1.732 -7.216 -1.324 1.00 0.25 C ATOM 630 C TYR A 665 -0.879 -7.615 -0.127 1.00 0.22 C ATOM 631 O TYR A 665 0.147 -6.998 0.136 1.00 0.22 O ATOM 632 CB TYR A 665 -2.702 -6.085 -0.952 1.00 0.27 C ATOM 633 CG TYR A 665 -3.957 -6.522 -0.232 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.036 -7.041 -0.936 1.00 0.48 C ATOM 635 CD2 TYR A 665 -4.070 -6.392 1.143 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.190 -7.421 -0.287 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.222 -6.774 1.800 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.279 -7.285 1.080 1.00 0.64 C ATOM 639 OH TYR A 665 -7.427 -7.664 1.730 1.00 0.81 O ATOM 0 HA TYR A 665 -1.060 -6.844 -2.097 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.174 -5.367 -0.324 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -2.989 -5.561 -1.863 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -4.969 -7.148 -2.009 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.245 -5.986 1.709 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.021 -7.824 -0.848 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.294 -6.673 2.873 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.326 -7.504 2.692 1.00 0.81 H new ATOM 649 N MET A 666 -1.278 -8.669 0.571 1.00 0.25 N ATOM 650 CA MET A 666 -0.507 -9.149 1.713 1.00 0.28 C ATOM 651 C MET A 666 0.760 -9.842 1.238 1.00 0.25 C ATOM 652 O MET A 666 1.818 -9.705 1.847 1.00 0.25 O ATOM 653 CB MET A 666 -1.342 -10.096 2.577 1.00 0.37 C ATOM 654 CG MET A 666 -2.383 -9.380 3.424 1.00 0.48 C ATOM 655 SD MET A 666 -3.469 -10.518 4.299 1.00 1.17 S ATOM 656 CE MET A 666 -4.529 -9.363 5.167 1.00 1.14 C ATOM 0 H MET A 666 -2.123 -9.205 0.371 1.00 0.25 H new ATOM 0 HA MET A 666 -0.230 -8.290 2.324 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.843 -10.818 1.932 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.677 -10.660 3.231 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.879 -8.738 4.146 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.982 -8.732 2.785 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.261 -9.914 5.758 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.925 -8.740 5.827 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.047 -8.731 4.445 1.00 1.14 H new ATOM 666 N MET A 667 0.654 -10.559 0.127 1.00 0.26 N ATOM 667 CA MET A 667 1.807 -11.218 -0.466 1.00 0.27 C ATOM 668 C MET A 667 2.771 -10.173 -1.014 1.00 0.23 C ATOM 669 O MET A 667 3.978 -10.226 -0.763 1.00 0.23 O ATOM 670 CB MET A 667 1.363 -12.164 -1.586 1.00 0.34 C ATOM 671 CG MET A 667 2.517 -12.792 -2.357 1.00 0.47 C ATOM 672 SD MET A 667 1.966 -13.890 -3.678 1.00 1.20 S ATOM 673 CE MET A 667 1.015 -12.759 -4.691 1.00 1.10 C ATOM 0 H MET A 667 -0.220 -10.698 -0.381 1.00 0.26 H new ATOM 0 HA MET A 667 2.313 -11.804 0.302 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.751 -12.957 -1.157 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.730 -11.615 -2.283 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.135 -12.002 -2.783 1.00 0.47 H new ATOM 0 HG3 MET A 667 3.147 -13.352 -1.666 1.00 0.47 H new ATOM 0 HE1 MET A 667 0.713 -13.260 -5.611 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.128 -12.439 -4.144 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.624 -11.889 -4.935 1.00 1.10 H new ATOM 683 N LEU A 668 2.215 -9.209 -1.740 1.00 0.21 N ATOM 684 CA LEU A 668 3.005 -8.131 -2.328 1.00 0.19 C ATOM 685 C LEU A 668 3.670 -7.291 -1.245 1.00 0.17 C ATOM 686 O LEU A 668 4.815 -6.866 -1.398 1.00 0.17 O ATOM 687 CB LEU A 668 2.133 -7.233 -3.217 1.00 0.21 C ATOM 688 CG LEU A 668 1.948 -7.693 -4.672 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.412 -9.114 -4.754 1.00 0.82 C ATOM 690 CD2 LEU A 668 1.018 -6.739 -5.402 1.00 0.80 C ATOM 0 H LEU A 668 1.216 -9.152 -1.936 1.00 0.21 H new ATOM 0 HA LEU A 668 3.779 -8.589 -2.943 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.149 -7.148 -2.757 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.568 -6.234 -3.226 1.00 0.21 H new ATOM 0 HG LEU A 668 2.927 -7.685 -5.150 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.296 -9.399 -5.800 1.00 0.82 H new ATOM 0 HD12 LEU A 668 2.110 -9.795 -4.267 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.445 -9.168 -4.254 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.892 -7.071 -6.432 1.00 0.80 H new ATOM 0 HD22 LEU A 668 0.048 -6.724 -4.904 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.446 -5.736 -5.394 1.00 0.80 H new ATOM 702 N ALA A 669 2.971 -7.083 -0.133 1.00 0.18 N ATOM 703 CA ALA A 669 3.503 -6.267 0.944 1.00 0.19 C ATOM 704 C ALA A 669 4.506 -7.060 1.766 1.00 0.20 C ATOM 705 O ALA A 669 5.463 -6.500 2.300 1.00 0.22 O ATOM 706 CB ALA A 669 2.381 -5.757 1.831 1.00 0.23 C ATOM 0 H ALA A 669 2.042 -7.467 0.042 1.00 0.18 H new ATOM 0 HA ALA A 669 4.014 -5.410 0.505 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.799 -5.148 2.632 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.693 -5.154 1.238 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.844 -6.603 2.261 1.00 0.23 H new ATOM 712 N ARG A 670 4.282 -8.366 1.869 1.00 0.22 N ATOM 713 CA ARG A 670 5.204 -9.243 2.568 1.00 0.26 C ATOM 714 C ARG A 670 6.531 -9.285 1.828 1.00 0.23 C ATOM 715 O ARG A 670 7.596 -9.183 2.439 1.00 0.25 O ATOM 716 CB ARG A 670 4.628 -10.654 2.688 1.00 0.33 C ATOM 717 CG ARG A 670 5.392 -11.547 3.653 1.00 0.41 C ATOM 718 CD ARG A 670 5.347 -10.991 5.069 1.00 0.83 C ATOM 719 NE ARG A 670 3.974 -10.777 5.523 1.00 1.62 N ATOM 720 CZ ARG A 670 3.592 -9.780 6.324 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.483 -8.923 6.815 1.00 2.41 N ATOM 722 NH2 ARG A 670 2.313 -9.651 6.647 1.00 3.33 N ATOM 0 H ARG A 670 3.468 -8.837 1.475 1.00 0.22 H new ATOM 0 HA ARG A 670 5.361 -8.852 3.573 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.590 -10.586 3.014 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.623 -11.120 1.703 1.00 0.33 H new ATOM 0 HG2 ARG A 670 4.966 -12.550 3.640 1.00 0.41 H new ATOM 0 HG3 ARG A 670 6.428 -11.636 3.327 1.00 0.41 H new ATOM 0 HD2 ARG A 670 5.851 -11.680 5.747 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.894 -10.049 5.108 1.00 0.83 H new ATOM 0 HE ARG A 670 3.260 -11.433 5.207 1.00 1.62 H new ATOM 0 HH11 ARG A 670 5.471 -9.024 6.580 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.179 -8.165 7.426 1.00 2.41 H new ATOM 0 HH21 ARG A 670 1.626 -10.312 6.284 1.00 3.33 H new ATOM 0 HH22 ARG A 670 2.016 -8.891 7.259 1.00 3.33 H new ATOM 736 N GLU A 671 6.465 -9.410 0.506 1.00 0.22 N ATOM 737 CA GLU A 671 7.665 -9.390 -0.308 1.00 0.23 C ATOM 738 C GLU A 671 8.307 -8.011 -0.233 1.00 0.19 C ATOM 739 O GLU A 671 9.520 -7.891 -0.088 1.00 0.21 O ATOM 740 CB GLU A 671 7.350 -9.763 -1.760 1.00 0.30 C ATOM 741 CG GLU A 671 8.588 -9.834 -2.641 1.00 0.38 C ATOM 742 CD GLU A 671 8.303 -10.368 -4.027 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.539 -9.637 -5.010 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.853 -11.527 -4.141 1.00 1.11 O ATOM 0 H GLU A 671 5.597 -9.525 -0.017 1.00 0.22 H new ATOM 0 HA GLU A 671 8.365 -10.131 0.078 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.842 -10.727 -1.779 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.658 -9.030 -2.175 1.00 0.30 H new ATOM 0 HG2 GLU A 671 9.024 -8.839 -2.725 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.332 -10.469 -2.160 1.00 0.38 H new ATOM 751 N ALA A 672 7.481 -6.972 -0.302 1.00 0.17 N ATOM 752 CA ALA A 672 7.956 -5.601 -0.147 1.00 0.18 C ATOM 753 C ALA A 672 8.692 -5.420 1.179 1.00 0.20 C ATOM 754 O ALA A 672 9.717 -4.741 1.245 1.00 0.23 O ATOM 755 CB ALA A 672 6.797 -4.628 -0.244 1.00 0.21 C ATOM 0 H ALA A 672 6.477 -7.053 -0.465 1.00 0.17 H new ATOM 0 HA ALA A 672 8.659 -5.394 -0.954 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.166 -3.609 -0.127 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.317 -4.730 -1.217 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.073 -4.844 0.542 1.00 0.21 H new ATOM 761 N GLU A 673 8.161 -6.041 2.228 1.00 0.22 N ATOM 762 CA GLU A 673 8.782 -6.013 3.543 1.00 0.28 C ATOM 763 C GLU A 673 10.120 -6.746 3.502 1.00 0.28 C ATOM 764 O GLU A 673 11.104 -6.309 4.105 1.00 0.31 O ATOM 765 CB GLU A 673 7.845 -6.657 4.568 1.00 0.34 C ATOM 766 CG GLU A 673 8.418 -6.731 5.971 1.00 0.70 C ATOM 767 CD GLU A 673 7.445 -7.339 6.958 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.925 -6.599 7.822 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.193 -8.561 6.876 1.00 1.76 O ATOM 0 H GLU A 673 7.293 -6.575 2.189 1.00 0.22 H new ATOM 0 HA GLU A 673 8.964 -4.979 3.837 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.913 -6.093 4.597 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.597 -7.665 4.235 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.334 -7.322 5.956 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.690 -5.729 6.303 1.00 0.70 H new ATOM 776 N MET A 674 10.153 -7.848 2.763 1.00 0.27 N ATOM 777 CA MET A 674 11.383 -8.613 2.578 1.00 0.31 C ATOM 778 C MET A 674 12.404 -7.806 1.785 1.00 0.29 C ATOM 779 O MET A 674 13.606 -7.971 1.955 1.00 0.34 O ATOM 780 CB MET A 674 11.106 -9.940 1.862 1.00 0.36 C ATOM 781 CG MET A 674 10.242 -10.898 2.662 1.00 0.54 C ATOM 782 SD MET A 674 10.134 -12.531 1.907 1.00 0.60 S ATOM 783 CE MET A 674 9.002 -13.337 3.038 1.00 0.79 C ATOM 0 H MET A 674 9.341 -8.234 2.281 1.00 0.27 H new ATOM 0 HA MET A 674 11.788 -8.829 3.567 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.618 -9.733 0.910 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.055 -10.425 1.635 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.649 -10.994 3.669 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.240 -10.481 2.761 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.264 -14.392 3.125 1.00 0.79 H new ATOM 0 HE2 MET A 674 9.069 -12.865 4.018 1.00 0.79 H new ATOM 0 HE3 MET A 674 7.984 -13.246 2.660 1.00 0.79 H new ATOM 793 N LEU A 675 11.922 -6.929 0.918 1.00 0.26 N ATOM 794 CA LEU A 675 12.797 -6.057 0.145 1.00 0.27 C ATOM 795 C LEU A 675 13.135 -4.800 0.939 1.00 0.30 C ATOM 796 O LEU A 675 14.054 -4.065 0.590 1.00 0.39 O ATOM 797 CB LEU A 675 12.128 -5.669 -1.182 1.00 0.27 C ATOM 798 CG LEU A 675 12.339 -6.631 -2.362 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.802 -6.696 -2.751 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.819 -8.022 -2.052 1.00 0.47 C ATOM 0 H LEU A 675 10.928 -6.801 0.731 1.00 0.26 H new ATOM 0 HA LEU A 675 13.719 -6.599 -0.067 1.00 0.27 H new ATOM 0 HB2 LEU A 675 11.056 -5.572 -1.008 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.494 -4.685 -1.474 1.00 0.27 H new ATOM 0 HG LEU A 675 11.768 -6.238 -3.203 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.926 -7.383 -3.588 1.00 0.53 H new ATOM 0 HD12 LEU A 675 14.145 -5.703 -3.042 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.389 -7.048 -1.903 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.986 -8.673 -2.910 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.345 -8.422 -1.185 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.752 -7.972 -1.837 1.00 0.47 H new ATOM 812 N PHE A 676 12.385 -4.558 2.001 1.00 0.30 N ATOM 813 CA PHE A 676 12.595 -3.381 2.831 1.00 0.37 C ATOM 814 C PHE A 676 13.677 -3.641 3.877 1.00 0.42 C ATOM 815 O PHE A 676 14.712 -2.975 3.889 1.00 0.46 O ATOM 816 CB PHE A 676 11.282 -2.974 3.514 1.00 0.44 C ATOM 817 CG PHE A 676 11.321 -1.614 4.157 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.801 -1.449 5.446 1.00 0.68 C ATOM 819 CD2 PHE A 676 10.870 -0.499 3.468 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.833 -0.199 6.034 1.00 0.78 C ATOM 821 CE2 PHE A 676 10.899 0.752 4.051 1.00 0.82 C ATOM 822 CZ PHE A 676 11.382 0.902 5.335 1.00 0.82 C ATOM 0 H PHE A 676 11.623 -5.162 2.310 1.00 0.30 H new ATOM 0 HA PHE A 676 12.928 -2.564 2.191 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.480 -2.993 2.776 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.034 -3.716 4.273 1.00 0.44 H new ATOM 0 HD1 PHE A 676 12.154 -2.308 5.998 1.00 0.68 H new ATOM 0 HD2 PHE A 676 10.491 -0.610 2.463 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.210 -0.084 7.039 1.00 0.78 H new ATOM 0 HE2 PHE A 676 10.544 1.612 3.503 1.00 0.82 H new ATOM 0 HZ PHE A 676 11.407 1.880 5.792 1.00 0.82 H new ATOM 944 N ASP A 685 16.201 -3.588 -0.953 1.00 0.36 N ATOM 945 CA ASP A 685 16.247 -2.702 -2.106 1.00 0.32 C ATOM 946 C ASP A 685 15.073 -1.728 -2.049 1.00 0.27 C ATOM 947 O ASP A 685 13.939 -2.103 -2.357 1.00 0.26 O ATOM 948 CB ASP A 685 16.185 -3.511 -3.407 1.00 0.35 C ATOM 949 CG ASP A 685 16.327 -2.639 -4.637 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.465 -2.487 -5.128 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.308 -2.109 -5.121 1.00 1.68 O ATOM 0 HA ASP A 685 17.184 -2.146 -2.085 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.976 -4.261 -3.403 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.237 -4.048 -3.453 1.00 0.35 H new ATOM 956 N PRO A 686 15.326 -0.472 -1.626 1.00 0.29 N ATOM 957 CA PRO A 686 14.275 0.548 -1.470 1.00 0.29 C ATOM 958 C PRO A 686 13.425 0.746 -2.723 1.00 0.25 C ATOM 959 O PRO A 686 12.235 1.055 -2.634 1.00 0.25 O ATOM 960 CB PRO A 686 15.060 1.827 -1.166 1.00 0.37 C ATOM 961 CG PRO A 686 16.331 1.354 -0.558 1.00 0.42 C ATOM 962 CD PRO A 686 16.655 0.048 -1.240 1.00 0.37 C ATOM 0 HA PRO A 686 13.564 0.259 -0.697 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.245 2.403 -2.073 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.511 2.475 -0.483 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.129 2.081 -0.707 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.222 1.216 0.518 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.297 0.196 -2.108 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.176 -0.637 -0.571 1.00 0.37 H new ATOM 970 N GLN A 687 14.030 0.550 -3.887 1.00 0.25 N ATOM 971 CA GLN A 687 13.342 0.777 -5.149 1.00 0.27 C ATOM 972 C GLN A 687 12.266 -0.279 -5.364 1.00 0.23 C ATOM 973 O GLN A 687 11.087 0.050 -5.523 1.00 0.24 O ATOM 974 CB GLN A 687 14.345 0.765 -6.306 1.00 0.35 C ATOM 975 CG GLN A 687 13.733 1.039 -7.672 1.00 0.65 C ATOM 976 CD GLN A 687 12.959 2.342 -7.723 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.532 3.407 -7.949 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.647 2.262 -7.561 1.00 1.23 N ATOM 0 H GLN A 687 14.995 0.234 -3.983 1.00 0.25 H new ATOM 0 HA GLN A 687 12.862 1.755 -5.115 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.115 1.511 -6.110 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.840 -0.206 -6.331 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.525 1.063 -8.421 1.00 0.65 H new ATOM 0 HG3 GLN A 687 13.068 0.217 -7.938 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.210 1.359 -7.375 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.073 3.103 -7.622 1.00 1.23 H new ATOM 987 N ARG A 688 12.662 -1.547 -5.311 1.00 0.22 N ATOM 988 CA ARG A 688 11.723 -2.637 -5.505 1.00 0.23 C ATOM 989 C ARG A 688 10.742 -2.681 -4.346 1.00 0.18 C ATOM 990 O ARG A 688 9.568 -3.010 -4.524 1.00 0.20 O ATOM 991 CB ARG A 688 12.460 -3.974 -5.629 1.00 0.29 C ATOM 992 CG ARG A 688 11.536 -5.164 -5.830 1.00 0.70 C ATOM 993 CD ARG A 688 12.314 -6.461 -5.973 1.00 0.78 C ATOM 994 NE ARG A 688 11.441 -7.636 -5.923 1.00 1.67 N ATOM 995 CZ ARG A 688 11.868 -8.889 -6.078 1.00 2.16 C ATOM 996 NH1 ARG A 688 13.146 -9.135 -6.337 1.00 1.85 N ATOM 997 NH2 ARG A 688 11.012 -9.898 -5.972 1.00 3.24 N ATOM 0 H ARG A 688 13.623 -1.840 -5.136 1.00 0.22 H new ATOM 0 HA ARG A 688 11.175 -2.465 -6.432 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.155 -3.919 -6.467 1.00 0.29 H new ATOM 0 HB3 ARG A 688 13.056 -4.135 -4.730 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.852 -5.241 -4.985 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.926 -5.005 -6.719 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.858 -6.454 -6.917 1.00 0.78 H new ATOM 0 HD3 ARG A 688 13.056 -6.527 -5.178 1.00 0.78 H new ATOM 0 HE ARG A 688 10.445 -7.486 -5.760 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.808 -8.363 -6.418 1.00 1.85 H new ATOM 0 HH12 ARG A 688 13.467 -10.096 -6.455 1.00 1.85 H new ATOM 0 HH21 ARG A 688 10.029 -9.714 -5.772 1.00 3.24 H new ATOM 0 HH22 ARG A 688 11.337 -10.857 -6.090 1.00 3.24 H new ATOM 1011 N SER A 689 11.235 -2.335 -3.160 1.00 0.16 N ATOM 1012 CA SER A 689 10.399 -2.270 -1.975 1.00 0.17 C ATOM 1013 C SER A 689 9.217 -1.340 -2.212 1.00 0.15 C ATOM 1014 O SER A 689 8.064 -1.730 -2.000 1.00 0.16 O ATOM 1015 CB SER A 689 11.213 -1.797 -0.768 1.00 0.21 C ATOM 1016 OG SER A 689 10.476 -1.931 0.435 1.00 1.11 O ATOM 0 H SER A 689 12.213 -2.095 -2.999 1.00 0.16 H new ATOM 0 HA SER A 689 10.020 -3.270 -1.765 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.134 -2.375 -0.699 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.501 -0.755 -0.907 1.00 0.21 H new ATOM 0 HG SER A 689 10.271 -2.877 0.589 1.00 1.11 H new ATOM 1022 N GLY A 690 9.484 -0.124 -2.693 1.00 0.16 N ATOM 1023 CA GLY A 690 8.416 0.817 -2.932 1.00 0.18 C ATOM 1024 C GLY A 690 7.519 0.396 -4.072 1.00 0.17 C ATOM 1025 O GLY A 690 6.311 0.610 -4.018 1.00 0.19 O ATOM 0 H GLY A 690 10.418 0.218 -2.918 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.820 0.924 -2.025 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.841 1.796 -3.151 1.00 0.18 H new ATOM 1029 N ASP A 691 8.099 -0.219 -5.098 1.00 0.17 N ATOM 1030 CA ASP A 691 7.314 -0.672 -6.244 1.00 0.20 C ATOM 1031 C ASP A 691 6.345 -1.767 -5.826 1.00 0.18 C ATOM 1032 O ASP A 691 5.216 -1.836 -6.309 1.00 0.22 O ATOM 1033 CB ASP A 691 8.212 -1.178 -7.377 1.00 0.26 C ATOM 1034 CG ASP A 691 8.870 -0.052 -8.149 1.00 0.82 C ATOM 1035 OD1 ASP A 691 8.138 0.794 -8.704 1.00 0.84 O ATOM 1036 OD2 ASP A 691 10.116 -0.019 -8.222 1.00 1.54 O ATOM 0 H ASP A 691 9.098 -0.414 -5.161 1.00 0.17 H new ATOM 0 HA ASP A 691 6.751 0.185 -6.614 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.983 -1.827 -6.962 1.00 0.26 H new ATOM 0 HB3 ASP A 691 7.619 -1.785 -8.062 1.00 0.26 H new ATOM 1041 N LEU A 692 6.784 -2.621 -4.915 1.00 0.16 N ATOM 1042 CA LEU A 692 5.928 -3.678 -4.404 1.00 0.16 C ATOM 1043 C LEU A 692 4.874 -3.109 -3.462 1.00 0.15 C ATOM 1044 O LEU A 692 3.723 -3.541 -3.480 1.00 0.16 O ATOM 1045 CB LEU A 692 6.760 -4.741 -3.691 1.00 0.20 C ATOM 1046 CG LEU A 692 7.557 -5.665 -4.607 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.660 -6.360 -3.827 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.633 -6.696 -5.236 1.00 0.73 C ATOM 0 H LEU A 692 7.723 -2.603 -4.517 1.00 0.16 H new ATOM 0 HA LEU A 692 5.419 -4.143 -5.248 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.452 -4.243 -3.013 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.095 -5.349 -3.078 1.00 0.20 H new ATOM 0 HG LEU A 692 8.013 -5.067 -5.397 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.220 -7.016 -4.494 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.332 -5.614 -3.404 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.221 -6.950 -3.023 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.210 -7.352 -5.888 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.161 -7.288 -4.452 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.865 -6.188 -5.819 1.00 0.73 H new ATOM 1060 N TYR A 693 5.262 -2.124 -2.656 1.00 0.15 N ATOM 1061 CA TYR A 693 4.331 -1.502 -1.718 1.00 0.17 C ATOM 1062 C TYR A 693 3.272 -0.678 -2.443 1.00 0.18 C ATOM 1063 O TYR A 693 2.121 -0.624 -2.012 1.00 0.20 O ATOM 1064 CB TYR A 693 5.061 -0.638 -0.683 1.00 0.21 C ATOM 1065 CG TYR A 693 5.455 -1.402 0.564 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.506 -2.125 1.276 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.765 -1.399 1.034 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.846 -2.822 2.415 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.112 -2.098 2.176 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.148 -2.808 2.860 1.00 1.05 C ATOM 1071 OH TYR A 693 6.485 -3.509 3.993 1.00 1.33 O ATOM 0 H TYR A 693 6.207 -1.741 -2.633 1.00 0.15 H new ATOM 0 HA TYR A 693 3.830 -2.313 -1.189 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.956 -0.215 -1.139 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.421 0.198 -0.401 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.483 -2.141 0.930 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.521 -0.843 0.500 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.094 -3.377 2.956 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.132 -2.088 2.530 1.00 0.96 H new ATOM 0 HH TYR A 693 7.442 -3.399 4.173 1.00 1.33 H new ATOM 1081 N THR A 694 3.648 -0.048 -3.550 1.00 0.19 N ATOM 1082 CA THR A 694 2.693 0.727 -4.329 1.00 0.22 C ATOM 1083 C THR A 694 1.696 -0.201 -5.012 1.00 0.20 C ATOM 1084 O THR A 694 0.496 0.082 -5.059 1.00 0.21 O ATOM 1085 CB THR A 694 3.386 1.621 -5.380 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.335 0.856 -6.130 1.00 0.27 O ATOM 1087 CG2 THR A 694 4.086 2.796 -4.714 1.00 0.31 C ATOM 0 H THR A 694 4.597 -0.058 -3.924 1.00 0.19 H new ATOM 0 HA THR A 694 2.167 1.384 -3.636 1.00 0.22 H new ATOM 0 HB THR A 694 2.621 2.008 -6.054 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.128 0.688 -5.579 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.567 3.411 -5.474 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.355 3.395 -4.171 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.839 2.425 -4.019 1.00 0.31 H new ATOM 1095 N GLN A 695 2.196 -1.332 -5.509 1.00 0.19 N ATOM 1096 CA GLN A 695 1.335 -2.349 -6.096 1.00 0.20 C ATOM 1097 C GLN A 695 0.425 -2.937 -5.027 1.00 0.17 C ATOM 1098 O GLN A 695 -0.771 -3.153 -5.255 1.00 0.18 O ATOM 1099 CB GLN A 695 2.171 -3.459 -6.734 1.00 0.25 C ATOM 1100 CG GLN A 695 2.901 -3.034 -7.997 1.00 0.85 C ATOM 1101 CD GLN A 695 3.815 -4.121 -8.530 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.394 -4.960 -9.324 1.00 2.09 O ATOM 1103 NE2 GLN A 695 5.070 -4.113 -8.105 1.00 2.13 N ATOM 0 H GLN A 695 3.189 -1.563 -5.515 1.00 0.19 H new ATOM 0 HA GLN A 695 0.727 -1.883 -6.871 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.901 -3.814 -6.007 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.520 -4.301 -6.969 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.172 -2.768 -8.763 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.488 -2.139 -7.791 1.00 0.85 H new ATOM 0 HE21 GLN A 695 5.381 -3.399 -7.446 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.725 -4.820 -8.437 1.00 2.13 H new ATOM 1112 N ALA A 696 0.997 -3.187 -3.853 1.00 0.16 N ATOM 1113 CA ALA A 696 0.235 -3.688 -2.726 1.00 0.16 C ATOM 1114 C ALA A 696 -0.873 -2.717 -2.349 1.00 0.16 C ATOM 1115 O ALA A 696 -1.994 -3.135 -2.063 1.00 0.16 O ATOM 1116 CB ALA A 696 1.143 -3.947 -1.535 1.00 0.18 C ATOM 0 H ALA A 696 1.989 -3.049 -3.662 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.223 -4.632 -3.021 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.551 -4.322 -0.701 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.897 -4.686 -1.806 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.634 -3.019 -1.243 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.576 -1.418 -2.373 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.573 -0.409 -2.055 1.00 0.17 C ATOM 1124 C ALA A 697 -2.702 -0.423 -3.072 1.00 0.16 C ATOM 1125 O ALA A 697 -3.872 -0.264 -2.711 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.939 0.973 -1.995 1.00 0.20 C ATOM 0 H ALA A 697 0.344 -1.046 -2.609 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.988 -0.646 -1.075 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.702 1.713 -1.756 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.167 0.986 -1.226 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.493 1.211 -2.961 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.354 -0.629 -4.339 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.353 -0.723 -5.393 1.00 0.20 C ATOM 1134 C GLU A 698 -4.315 -1.863 -5.103 1.00 0.18 C ATOM 1135 O GLU A 698 -5.534 -1.697 -5.173 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.698 -0.948 -6.754 1.00 0.26 C ATOM 1137 CG GLU A 698 -1.896 0.234 -7.265 1.00 1.02 C ATOM 1138 CD GLU A 698 -1.385 0.002 -8.669 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -0.215 -0.409 -8.825 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.161 0.209 -9.622 1.00 1.40 O ATOM 0 H GLU A 698 -1.391 -0.733 -4.658 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.899 0.220 -5.420 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -2.042 -1.816 -6.689 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -3.473 -1.188 -7.482 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -2.517 1.129 -7.248 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -1.054 0.418 -6.598 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.758 -3.011 -4.745 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.554 -4.192 -4.469 1.00 0.18 C ATOM 1149 C ALA A 699 -5.332 -4.034 -3.166 1.00 0.15 C ATOM 1150 O ALA A 699 -6.416 -4.596 -3.006 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.654 -5.416 -4.416 1.00 0.21 C ATOM 0 H ALA A 699 -2.753 -3.147 -4.639 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.279 -4.321 -5.272 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.255 -6.301 -4.208 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -3.148 -5.537 -5.374 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.912 -5.288 -3.628 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.778 -3.256 -2.245 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.414 -3.018 -0.957 1.00 0.13 C ATOM 1159 C ALA A 700 -6.626 -2.108 -1.102 1.00 0.13 C ATOM 1160 O ALA A 700 -7.704 -2.414 -0.590 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.422 -2.426 0.027 1.00 0.14 C ATOM 0 H ALA A 700 -3.886 -2.777 -2.368 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.757 -3.978 -0.571 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.916 -2.255 0.983 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.591 -3.117 0.166 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.045 -1.479 -0.361 1.00 0.14 H new ATOM 1167 N MET A 701 -6.455 -0.991 -1.804 1.00 0.15 N ATOM 1168 CA MET A 701 -7.562 -0.067 -2.030 1.00 0.20 C ATOM 1169 C MET A 701 -8.588 -0.699 -2.964 1.00 0.23 C ATOM 1170 O MET A 701 -9.761 -0.334 -2.956 1.00 0.28 O ATOM 1171 CB MET A 701 -7.067 1.277 -2.590 1.00 0.27 C ATOM 1172 CG MET A 701 -6.529 1.219 -4.012 1.00 0.44 C ATOM 1173 SD MET A 701 -6.010 2.840 -4.617 1.00 0.74 S ATOM 1174 CE MET A 701 -5.498 2.439 -6.286 1.00 0.76 C ATOM 0 H MET A 701 -5.570 -0.706 -2.222 1.00 0.15 H new ATOM 0 HA MET A 701 -8.038 0.136 -1.070 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.889 1.993 -2.557 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.284 1.660 -1.936 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.684 0.532 -4.050 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.297 0.816 -4.672 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.442 2.678 -6.410 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.654 1.376 -6.469 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.087 3.019 -6.996 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.133 -1.665 -3.755 1.00 0.24 N ATOM 1185 CA GLU A 702 -9.019 -2.444 -4.607 1.00 0.31 C ATOM 1186 C GLU A 702 -9.899 -3.354 -3.752 1.00 0.29 C ATOM 1187 O GLU A 702 -11.056 -3.613 -4.080 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.191 -3.275 -5.584 1.00 0.42 C ATOM 1189 CG GLU A 702 -9.014 -4.114 -6.543 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.147 -4.846 -7.541 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.848 -4.269 -8.608 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.750 -5.999 -7.258 1.00 2.58 O ATOM 0 H GLU A 702 -7.149 -1.927 -3.822 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.662 -1.768 -5.171 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.552 -2.606 -6.161 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.533 -3.933 -5.016 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.605 -4.835 -5.978 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.717 -3.473 -7.075 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.341 -3.813 -2.640 1.00 0.27 N ATOM 1200 CA ALA A 703 -10.055 -4.690 -1.723 1.00 0.32 C ATOM 1201 C ALA A 703 -10.855 -3.885 -0.701 1.00 0.33 C ATOM 1202 O ALA A 703 -11.211 -4.396 0.361 1.00 0.45 O ATOM 1203 CB ALA A 703 -9.082 -5.626 -1.023 1.00 0.39 C ATOM 0 H ALA A 703 -8.389 -3.590 -2.350 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.759 -5.287 -2.303 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.630 -6.276 -0.340 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.564 -6.233 -1.765 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.354 -5.040 -0.461 1.00 0.39 H new ATOM 1209 N MET A 704 -11.108 -2.614 -1.032 1.00 0.33 N ATOM 1210 CA MET A 704 -11.961 -1.732 -0.226 1.00 0.44 C ATOM 1211 C MET A 704 -11.313 -1.399 1.120 1.00 0.41 C ATOM 1212 O MET A 704 -11.963 -0.860 2.016 1.00 0.58 O ATOM 1213 CB MET A 704 -13.344 -2.368 -0.009 1.00 0.61 C ATOM 1214 CG MET A 704 -14.032 -2.789 -1.301 1.00 1.01 C ATOM 1215 SD MET A 704 -15.606 -3.626 -1.023 1.00 2.03 S ATOM 1216 CE MET A 704 -16.586 -2.289 -0.347 1.00 2.61 C ATOM 0 H MET A 704 -10.727 -2.167 -1.866 1.00 0.33 H new ATOM 0 HA MET A 704 -12.084 -0.800 -0.778 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.236 -3.240 0.636 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.982 -1.659 0.518 1.00 0.61 H new ATOM 0 HG2 MET A 704 -14.200 -1.908 -1.920 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.369 -3.450 -1.860 1.00 1.01 H new ATOM 0 HE1 MET A 704 -17.639 -2.570 -0.355 1.00 2.61 H new ATOM 0 HE2 MET A 704 -16.271 -2.089 0.677 1.00 2.61 H new ATOM 0 HE3 MET A 704 -16.445 -1.393 -0.951 1.00 2.61 H new ATOM 1226 N LYS A 705 -10.026 -1.694 1.246 1.00 0.30 N ATOM 1227 CA LYS A 705 -9.303 -1.461 2.491 1.00 0.34 C ATOM 1228 C LYS A 705 -8.362 -0.268 2.368 1.00 0.31 C ATOM 1229 O LYS A 705 -7.171 -0.420 2.081 1.00 0.30 O ATOM 1230 CB LYS A 705 -8.530 -2.714 2.903 1.00 0.42 C ATOM 1231 CG LYS A 705 -9.410 -3.780 3.531 1.00 0.65 C ATOM 1232 CD LYS A 705 -8.603 -5.002 3.922 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.373 -5.906 4.866 1.00 1.02 C ATOM 1234 NZ LYS A 705 -9.624 -5.245 6.174 1.00 1.59 N ATOM 0 H LYS A 705 -9.459 -2.096 0.500 1.00 0.30 H new ATOM 0 HA LYS A 705 -10.034 -1.232 3.266 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -8.034 -3.131 2.027 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.748 -2.435 3.609 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.906 -3.372 4.412 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -10.193 -4.068 2.829 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.330 -5.560 3.026 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -7.674 -4.687 4.397 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.323 -6.184 4.410 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -8.814 -6.828 5.025 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -9.802 -5.968 6.900 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -8.793 -4.681 6.443 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.454 -4.623 6.095 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.913 0.919 2.596 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.141 2.142 2.487 1.00 0.47 C ATOM 1250 C GLY A 706 -7.013 2.236 3.494 1.00 0.42 C ATOM 1251 O GLY A 706 -5.947 2.768 3.180 1.00 0.40 O ATOM 0 H GLY A 706 -9.890 1.056 2.857 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.727 2.212 1.481 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.806 2.995 2.618 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.231 1.715 4.696 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.227 1.791 5.752 1.00 0.47 C ATOM 1257 C ARG A 707 -4.941 1.091 5.326 1.00 0.38 C ATOM 1258 O ARG A 707 -3.845 1.631 5.495 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.747 1.169 7.046 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.790 1.303 8.221 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.780 2.713 8.798 1.00 1.28 C ATOM 1262 NE ARG A 707 -5.230 3.716 7.885 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.578 5.006 7.910 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -6.459 5.446 8.804 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -5.033 5.859 7.050 1.00 3.90 N ATOM 0 H ARG A 707 -8.091 1.237 4.964 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.014 2.845 5.931 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.696 1.637 7.307 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.950 0.112 6.874 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -6.073 0.595 9.000 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.783 1.037 7.899 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.799 2.995 9.063 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -5.198 2.715 9.720 1.00 1.28 H new ATOM 0 HE ARG A 707 -4.544 3.414 7.193 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.872 4.798 9.475 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -6.721 6.432 8.819 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -4.348 5.530 6.370 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -5.299 6.843 7.070 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.084 -0.106 4.767 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.938 -0.868 4.289 1.00 0.30 C ATOM 1281 C LEU A 708 -3.266 -0.152 3.130 1.00 0.23 C ATOM 1282 O LEU A 708 -2.045 -0.023 3.098 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.362 -2.273 3.854 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.664 -3.258 4.987 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -5.097 -4.595 4.418 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -3.445 -3.441 5.875 1.00 1.02 C ATOM 0 H LEU A 708 -5.983 -0.569 4.634 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.228 -0.955 5.111 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.249 -2.187 3.227 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.572 -2.694 3.232 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.475 -2.850 5.590 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -5.309 -5.286 5.234 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -5.995 -4.460 3.815 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -4.299 -5.001 3.796 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -3.679 -4.144 6.674 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -2.617 -3.829 5.281 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -3.163 -2.481 6.308 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.078 0.329 2.193 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.569 1.050 1.033 1.00 0.18 C ATOM 1300 C ALA A 709 -2.745 2.251 1.472 1.00 0.19 C ATOM 1301 O ALA A 709 -1.659 2.501 0.949 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.719 1.487 0.141 1.00 0.21 C ATOM 0 H ALA A 709 -5.093 0.232 2.216 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.922 0.383 0.463 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.326 2.025 -0.722 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.270 0.610 -0.198 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.387 2.141 0.702 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.264 2.969 2.456 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.575 4.124 3.009 1.00 0.29 C ATOM 1310 C ASN A 710 -1.248 3.719 3.642 1.00 0.25 C ATOM 1311 O ASN A 710 -0.217 4.313 3.349 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.464 4.830 4.039 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.689 5.784 4.934 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.279 5.410 6.033 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.492 7.016 4.484 1.00 1.45 N ATOM 0 H ASN A 710 -4.165 2.770 2.890 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.363 4.815 2.194 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.246 5.383 3.518 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.960 4.082 4.657 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.985 7.692 5.055 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.848 7.287 3.567 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.280 2.699 4.497 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.076 2.249 5.192 1.00 0.26 C ATOM 1324 C GLN A 711 0.990 1.759 4.214 1.00 0.22 C ATOM 1325 O GLN A 711 2.149 2.155 4.303 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.408 1.144 6.196 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.262 1.613 7.365 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.464 0.530 8.402 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.687 0.409 9.347 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -2.505 -0.271 8.232 1.00 1.09 N ATOM 0 H GLN A 711 -2.122 2.171 4.724 1.00 0.25 H new ATOM 0 HA GLN A 711 0.325 3.109 5.729 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.929 0.339 5.677 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.521 0.725 6.582 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.790 2.477 7.833 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.232 1.942 6.994 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -3.126 -0.137 7.434 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -2.685 -1.021 8.899 1.00 1.09 H new ATOM 1339 N TYR A 712 0.601 0.887 3.293 1.00 0.20 N ATOM 1340 CA TYR A 712 1.537 0.390 2.288 1.00 0.20 C ATOM 1341 C TYR A 712 2.088 1.529 1.433 1.00 0.20 C ATOM 1342 O TYR A 712 3.254 1.502 1.033 1.00 0.21 O ATOM 1343 CB TYR A 712 0.887 -0.680 1.405 1.00 0.22 C ATOM 1344 CG TYR A 712 0.451 -1.913 2.171 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.210 -2.420 3.219 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.722 -2.569 1.838 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.806 -3.546 3.912 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -1.132 -3.694 2.526 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.366 -4.178 3.561 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.773 -5.301 4.244 1.00 0.44 O ATOM 0 H TYR A 712 -0.345 0.512 3.219 1.00 0.20 H new ATOM 0 HA TYR A 712 2.371 -0.069 2.819 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.021 -0.249 0.903 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.592 -0.975 0.627 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.130 -1.927 3.496 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.327 -2.194 1.026 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.406 -3.928 4.724 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -2.051 -4.192 2.253 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.620 -5.622 3.871 1.00 0.44 H new ATOM 1360 N TYR A 713 1.270 2.543 1.172 1.00 0.21 N ATOM 1361 CA TYR A 713 1.737 3.701 0.419 1.00 0.25 C ATOM 1362 C TYR A 713 2.680 4.532 1.289 1.00 0.23 C ATOM 1363 O TYR A 713 3.682 5.068 0.811 1.00 0.25 O ATOM 1364 CB TYR A 713 0.560 4.556 -0.060 1.00 0.32 C ATOM 1365 CG TYR A 713 0.916 5.469 -1.207 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.164 6.819 -1.000 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.008 4.974 -2.502 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.492 7.651 -2.051 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.335 5.801 -3.559 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.576 7.138 -3.329 1.00 2.20 C ATOM 1371 OH TYR A 713 1.901 7.965 -4.379 1.00 2.95 O ATOM 0 H TYR A 713 0.294 2.587 1.466 1.00 0.21 H new ATOM 0 HA TYR A 713 2.275 3.350 -0.462 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.256 3.901 -0.365 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.193 5.156 0.773 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.099 7.224 -0.001 1.00 1.81 H new ATOM 0 HD2 TYR A 713 0.821 3.926 -2.685 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.682 8.699 -1.874 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.401 5.402 -4.560 1.00 1.50 H new ATOM 0 HH TYR A 713 1.919 7.446 -5.210 1.00 2.95 H new ATOM 1381 N GLN A 714 2.354 4.606 2.577 1.00 0.24 N ATOM 1382 CA GLN A 714 3.199 5.263 3.568 1.00 0.28 C ATOM 1383 C GLN A 714 4.555 4.580 3.622 1.00 0.23 C ATOM 1384 O GLN A 714 5.590 5.219 3.832 1.00 0.26 O ATOM 1385 CB GLN A 714 2.533 5.182 4.944 1.00 0.36 C ATOM 1386 CG GLN A 714 3.340 5.806 6.069 1.00 0.65 C ATOM 1387 CD GLN A 714 2.807 5.421 7.435 1.00 1.26 C ATOM 1388 OE1 GLN A 714 3.242 4.435 8.029 1.00 1.94 O ATOM 1389 NE2 GLN A 714 1.844 6.180 7.935 1.00 1.98 N ATOM 0 H GLN A 714 1.496 4.212 2.962 1.00 0.24 H new ATOM 0 HA GLN A 714 3.333 6.308 3.288 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.562 5.674 4.894 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.348 4.135 5.183 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.381 5.493 5.985 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.325 6.891 5.967 1.00 0.65 H new ATOM 0 HE21 GLN A 714 1.510 6.990 7.413 1.00 1.98 H new ATOM 0 HE22 GLN A 714 1.437 5.955 8.843 1.00 1.98 H new ATOM 1398 N LYS A 715 4.545 3.283 3.356 1.00 0.21 N ATOM 1399 CA LYS A 715 5.739 2.476 3.482 1.00 0.22 C ATOM 1400 C LYS A 715 6.543 2.588 2.196 1.00 0.20 C ATOM 1401 O LYS A 715 7.773 2.529 2.206 1.00 0.23 O ATOM 1402 CB LYS A 715 5.377 1.012 3.762 1.00 0.27 C ATOM 1403 CG LYS A 715 6.322 0.328 4.738 1.00 0.61 C ATOM 1404 CD LYS A 715 5.962 0.676 6.175 1.00 0.86 C ATOM 1405 CE LYS A 715 7.055 0.270 7.150 1.00 1.16 C ATOM 1406 NZ LYS A 715 8.277 1.098 6.981 1.00 1.67 N ATOM 0 H LYS A 715 3.718 2.769 3.051 1.00 0.21 H new ATOM 0 HA LYS A 715 6.334 2.837 4.321 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.363 0.967 4.159 1.00 0.27 H new ATOM 0 HB3 LYS A 715 5.377 0.460 2.822 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.276 -0.752 4.599 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.348 0.633 4.532 1.00 0.61 H new ATOM 0 HD2 LYS A 715 5.785 1.749 6.255 1.00 0.86 H new ATOM 0 HD3 LYS A 715 5.031 0.178 6.446 1.00 0.86 H new ATOM 0 HE2 LYS A 715 6.687 0.369 8.171 1.00 1.16 H new ATOM 0 HE3 LYS A 715 7.304 -0.781 7.001 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.723 1.251 7.908 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 8.944 0.607 6.352 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 8.020 2.016 6.565 1.00 1.67 H new ATOM 1420 N ALA A 716 5.825 2.773 1.088 1.00 0.17 N ATOM 1421 CA ALA A 716 6.448 3.004 -0.206 1.00 0.18 C ATOM 1422 C ALA A 716 7.204 4.319 -0.188 1.00 0.21 C ATOM 1423 O ALA A 716 8.334 4.415 -0.684 1.00 0.25 O ATOM 1424 CB ALA A 716 5.394 3.018 -1.306 1.00 0.21 C ATOM 0 H ALA A 716 4.805 2.766 1.066 1.00 0.17 H new ATOM 0 HA ALA A 716 7.150 2.195 -0.408 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.875 3.192 -2.269 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.877 2.059 -1.327 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.675 3.814 -1.111 1.00 0.21 H new ATOM 1430 N GLU A 717 6.583 5.330 0.405 1.00 0.24 N ATOM 1431 CA GLU A 717 7.210 6.627 0.531 1.00 0.32 C ATOM 1432 C GLU A 717 8.427 6.539 1.438 1.00 0.31 C ATOM 1433 O GLU A 717 9.477 7.084 1.114 1.00 0.33 O ATOM 1434 CB GLU A 717 6.213 7.654 1.065 1.00 0.45 C ATOM 1435 CG GLU A 717 5.130 8.022 0.064 1.00 1.26 C ATOM 1436 CD GLU A 717 5.691 8.669 -1.182 1.00 1.60 C ATOM 1437 OE1 GLU A 717 6.671 9.432 -1.069 1.00 2.16 O ATOM 1438 OE2 GLU A 717 5.149 8.430 -2.280 1.00 2.04 O ATOM 0 H GLU A 717 5.646 5.271 0.804 1.00 0.24 H new ATOM 0 HA GLU A 717 7.538 6.952 -0.456 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.745 7.260 1.967 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.752 8.556 1.354 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.576 7.125 -0.214 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.420 8.702 0.535 1.00 1.26 H new ATOM 1445 N GLU A 718 8.289 5.832 2.562 1.00 0.31 N ATOM 1446 CA GLU A 718 9.413 5.620 3.475 1.00 0.36 C ATOM 1447 C GLU A 718 10.573 4.940 2.761 1.00 0.33 C ATOM 1448 O GLU A 718 11.733 5.323 2.934 1.00 0.36 O ATOM 1449 CB GLU A 718 8.998 4.767 4.673 1.00 0.43 C ATOM 1450 CG GLU A 718 8.140 5.492 5.693 1.00 1.06 C ATOM 1451 CD GLU A 718 7.960 4.679 6.954 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.498 5.080 8.005 1.00 1.75 O ATOM 1453 OE2 GLU A 718 7.316 3.613 6.899 1.00 2.20 O ATOM 0 H GLU A 718 7.415 5.399 2.860 1.00 0.31 H new ATOM 0 HA GLU A 718 9.730 6.602 3.827 1.00 0.36 H new ATOM 0 HB2 GLU A 718 8.452 3.896 4.311 1.00 0.43 H new ATOM 0 HB3 GLU A 718 9.896 4.398 5.169 1.00 0.43 H new ATOM 0 HG2 GLU A 718 8.600 6.449 5.940 1.00 1.06 H new ATOM 0 HG3 GLU A 718 7.164 5.710 5.258 1.00 1.06 H new ATOM 1460 N ALA A 719 10.248 3.934 1.954 1.00 0.28 N ATOM 1461 CA ALA A 719 11.252 3.177 1.218 1.00 0.29 C ATOM 1462 C ALA A 719 12.121 4.101 0.377 1.00 0.30 C ATOM 1463 O ALA A 719 13.349 4.039 0.438 1.00 0.37 O ATOM 1464 CB ALA A 719 10.585 2.128 0.341 1.00 0.28 C ATOM 0 H ALA A 719 9.290 3.624 1.794 1.00 0.28 H new ATOM 0 HA ALA A 719 11.895 2.672 1.939 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.347 1.570 -0.203 1.00 0.28 H new ATOM 0 HB2 ALA A 719 10.011 1.443 0.965 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.918 2.618 -0.369 1.00 0.28 H new ATOM 1470 N TRP A 720 11.482 4.973 -0.393 1.00 0.26 N ATOM 1471 CA TRP A 720 12.220 5.908 -1.237 1.00 0.28 C ATOM 1472 C TRP A 720 12.800 7.062 -0.418 1.00 0.33 C ATOM 1473 O TRP A 720 13.855 7.597 -0.756 1.00 0.36 O ATOM 1474 CB TRP A 720 11.335 6.443 -2.369 1.00 0.29 C ATOM 1475 CG TRP A 720 10.860 5.374 -3.314 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.493 4.194 -3.601 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.665 5.390 -4.111 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.758 3.473 -4.509 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.637 4.185 -4.842 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.614 6.300 -4.276 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.603 3.870 -5.721 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.591 5.987 -5.150 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.591 4.782 -5.862 1.00 0.45 C ATOM 0 H TRP A 720 10.467 5.053 -0.452 1.00 0.26 H new ATOM 0 HA TRP A 720 13.052 5.361 -1.681 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.470 6.946 -1.937 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.891 7.193 -2.931 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.433 3.877 -3.175 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.007 2.555 -4.876 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.603 7.231 -3.729 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.600 2.941 -6.271 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.777 6.684 -5.286 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.776 4.567 -6.537 1.00 0.45 H new