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 Set 1.1: A 701 MET CE :methyl 152:sc= -0.134 (180deg=-0.866) USER MOD Set 1.2: A 713 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 693 TYR OH : rot 15:sc= 0.879 USER MOD Set 2.2: A 715 LYS NZ :NH3+ -154:sc= 1.01 (180deg=-0.123) USER MOD Set 3.1: A 665 TYR OH : rot 30:sc= 0.941 USER MOD Set 3.2: A 705 LYS NZ :NH3+ 160:sc= 1.16 (180deg=-0.242) USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 166:sc= -0.327 (180deg=-0.784) USER MOD Single : A 674 MET CE :methyl 178:sc= -0.744 (180deg=-0.758) USER MOD Single : A 687 GLN : amide:sc= 0.323 X(o=0.32,f=-0.031) USER MOD Single : A 689 SER OG : rot 58:sc= -0.54 USER MOD Single : A 694 THR OG1 : rot -79:sc= 0.886 USER MOD Single : A 695 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) 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) USER MOD Single : A 711 GLN : amide:sc= -0.117 K(o=-0.12,f=-4.1!) USER MOD Single : A 712 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 714 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.491 -8.243 -1.466 1.00 0.30 N ATOM 629 CA TYR A 665 -1.777 -7.105 -0.893 1.00 0.25 C ATOM 630 C TYR A 665 -0.901 -7.528 0.279 1.00 0.22 C ATOM 631 O TYR A 665 0.155 -6.946 0.510 1.00 0.22 O ATOM 632 CB TYR A 665 -2.727 -5.959 -0.498 1.00 0.27 C ATOM 633 CG TYR A 665 -4.003 -6.351 0.218 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.097 -6.824 -0.491 1.00 0.48 C ATOM 635 CD2 TYR A 665 -4.129 -6.203 1.593 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.278 -7.144 0.145 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.310 -6.527 2.241 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.381 -6.995 1.510 1.00 0.64 C ATOM 639 OH TYR A 665 -7.561 -7.319 2.144 1.00 0.81 O ATOM 0 HA TYR A 665 -1.123 -6.719 -1.675 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.178 -5.266 0.140 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -2.998 -5.414 -1.402 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.023 -6.944 -1.562 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.293 -5.830 2.166 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.119 -7.510 -0.425 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.391 -6.414 3.312 1.00 0.56 H new ATOM 0 HH TYR A 665 -8.012 -8.035 1.649 1.00 0.81 H new ATOM 649 N MET A 666 -1.311 -8.571 0.985 1.00 0.25 N ATOM 650 CA MET A 666 -0.516 -9.091 2.090 1.00 0.28 C ATOM 651 C MET A 666 0.744 -9.758 1.556 1.00 0.25 C ATOM 652 O MET A 666 1.836 -9.554 2.078 1.00 0.25 O ATOM 653 CB MET A 666 -1.331 -10.084 2.924 1.00 0.37 C ATOM 654 CG MET A 666 -2.411 -9.431 3.773 1.00 0.48 C ATOM 655 SD MET A 666 -3.500 -10.638 4.550 1.00 1.17 S ATOM 656 CE MET A 666 -4.668 -9.558 5.371 1.00 1.14 C ATOM 0 H MET A 666 -2.183 -9.072 0.815 1.00 0.25 H new ATOM 0 HA MET A 666 -0.231 -8.259 2.734 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.796 -10.809 2.256 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.655 -10.638 3.575 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.943 -8.819 4.544 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.003 -8.760 3.150 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.409 -10.158 5.899 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.139 -8.925 6.084 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.167 -8.933 4.631 1.00 1.14 H new ATOM 666 N MET A 667 0.588 -10.515 0.479 1.00 0.26 N ATOM 667 CA MET A 667 1.706 -11.224 -0.128 1.00 0.27 C ATOM 668 C MET A 667 2.676 -10.231 -0.760 1.00 0.23 C ATOM 669 O MET A 667 3.897 -10.339 -0.602 1.00 0.23 O ATOM 670 CB MET A 667 1.188 -12.205 -1.184 1.00 0.34 C ATOM 671 CG MET A 667 2.278 -13.013 -1.874 1.00 0.47 C ATOM 672 SD MET A 667 1.631 -14.106 -3.156 1.00 1.20 S ATOM 673 CE MET A 667 0.924 -12.917 -4.295 1.00 1.10 C ATOM 0 H MET A 667 -0.305 -10.654 0.006 1.00 0.26 H new ATOM 0 HA MET A 667 2.234 -11.783 0.644 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.486 -12.892 -0.712 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.631 -11.649 -1.938 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.005 -12.331 -2.316 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.810 -13.607 -1.131 1.00 0.47 H new ATOM 0 HE1 MET A 667 0.710 -13.406 -5.245 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.000 -12.517 -3.876 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.631 -12.104 -4.457 1.00 1.10 H new ATOM 683 N LEU A 668 2.116 -9.249 -1.461 1.00 0.21 N ATOM 684 CA LEU A 668 2.911 -8.213 -2.112 1.00 0.19 C ATOM 685 C LEU A 668 3.612 -7.341 -1.081 1.00 0.17 C ATOM 686 O LEU A 668 4.754 -6.928 -1.287 1.00 0.17 O ATOM 687 CB LEU A 668 2.040 -7.343 -3.029 1.00 0.21 C ATOM 688 CG LEU A 668 1.837 -7.864 -4.461 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.262 -9.272 -4.470 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.928 -6.922 -5.233 1.00 0.80 C ATOM 0 H LEU A 668 1.109 -9.149 -1.593 1.00 0.21 H new ATOM 0 HA LEU A 668 3.665 -8.711 -2.721 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.061 -7.227 -2.564 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.486 -6.350 -3.085 1.00 0.21 H new ATOM 0 HG LEU A 668 2.813 -7.902 -4.944 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.133 -9.606 -5.500 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.944 -9.947 -3.953 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.297 -9.274 -3.964 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.790 -7.299 -6.246 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.039 -6.859 -4.734 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.380 -5.931 -5.273 1.00 0.80 H new ATOM 702 N ALA A 669 2.952 -7.088 0.048 1.00 0.18 N ATOM 703 CA ALA A 669 3.545 -6.266 1.092 1.00 0.19 C ATOM 704 C ALA A 669 4.588 -7.067 1.853 1.00 0.20 C ATOM 705 O ALA A 669 5.597 -6.525 2.296 1.00 0.22 O ATOM 706 CB ALA A 669 2.483 -5.742 2.043 1.00 0.23 C ATOM 0 H ALA A 669 2.017 -7.437 0.259 1.00 0.18 H new ATOM 0 HA ALA A 669 4.027 -5.409 0.622 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.954 -5.131 2.813 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.765 -5.138 1.489 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.967 -6.581 2.510 1.00 0.23 H new ATOM 712 N ARG A 670 4.332 -8.363 1.992 1.00 0.22 N ATOM 713 CA ARG A 670 5.285 -9.277 2.602 1.00 0.26 C ATOM 714 C ARG A 670 6.561 -9.315 1.771 1.00 0.23 C ATOM 715 O ARG A 670 7.671 -9.220 2.304 1.00 0.25 O ATOM 716 CB ARG A 670 4.678 -10.675 2.692 1.00 0.33 C ATOM 717 CG ARG A 670 5.568 -11.699 3.370 1.00 0.41 C ATOM 718 CD ARG A 670 4.940 -13.080 3.326 1.00 0.83 C ATOM 719 NE ARG A 670 5.699 -14.058 4.099 1.00 1.62 N ATOM 720 CZ ARG A 670 5.412 -15.357 4.139 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.416 -15.847 3.408 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.128 -16.168 4.904 1.00 3.33 N ATOM 0 H ARG A 670 3.465 -8.805 1.687 1.00 0.22 H new ATOM 0 HA ARG A 670 5.524 -8.930 3.608 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.735 -10.615 3.235 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.445 -11.023 1.686 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.541 -11.722 2.879 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.741 -11.407 4.406 1.00 0.41 H new ATOM 0 HD2 ARG A 670 3.922 -13.026 3.712 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.871 -13.413 2.290 1.00 0.83 H new ATOM 0 HE ARG A 670 6.497 -13.726 4.641 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.867 -15.227 2.813 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.200 -16.843 3.442 1.00 2.41 H new ATOM 0 HH21 ARG A 670 6.898 -15.796 5.461 1.00 3.33 H new ATOM 0 HH22 ARG A 670 5.910 -17.164 4.936 1.00 3.33 H new ATOM 736 N GLU A 671 6.396 -9.420 0.456 1.00 0.22 N ATOM 737 CA GLU A 671 7.532 -9.436 -0.444 1.00 0.23 C ATOM 738 C GLU A 671 8.235 -8.085 -0.403 1.00 0.19 C ATOM 739 O GLU A 671 9.458 -8.016 -0.318 1.00 0.21 O ATOM 740 CB GLU A 671 7.082 -9.783 -1.866 1.00 0.30 C ATOM 741 CG GLU A 671 8.229 -9.947 -2.848 1.00 0.38 C ATOM 742 CD GLU A 671 7.788 -10.566 -4.155 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.609 -9.829 -5.145 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.607 -11.801 -4.197 1.00 1.11 O ATOM 0 H GLU A 671 5.488 -9.495 -0.004 1.00 0.22 H new ATOM 0 HA GLU A 671 8.236 -10.203 -0.123 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.504 -10.707 -1.839 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.415 -9.000 -2.228 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.677 -8.973 -3.044 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.002 -10.569 -2.398 1.00 0.38 H new ATOM 751 N ALA A 672 7.448 -7.014 -0.426 1.00 0.17 N ATOM 752 CA ALA A 672 7.984 -5.665 -0.289 1.00 0.18 C ATOM 753 C ALA A 672 8.787 -5.521 1.000 1.00 0.20 C ATOM 754 O ALA A 672 9.859 -4.914 1.015 1.00 0.23 O ATOM 755 CB ALA A 672 6.856 -4.649 -0.317 1.00 0.21 C ATOM 0 H ALA A 672 6.435 -7.055 -0.538 1.00 0.17 H new ATOM 0 HA ALA A 672 8.654 -5.480 -1.129 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.268 -3.645 -0.214 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.320 -4.726 -1.263 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.169 -4.845 0.506 1.00 0.21 H new ATOM 761 N GLU A 673 8.264 -6.099 2.075 1.00 0.22 N ATOM 762 CA GLU A 673 8.926 -6.072 3.366 1.00 0.28 C ATOM 763 C GLU A 673 10.240 -6.841 3.304 1.00 0.28 C ATOM 764 O GLU A 673 11.254 -6.402 3.852 1.00 0.31 O ATOM 765 CB GLU A 673 8.004 -6.662 4.434 1.00 0.34 C ATOM 766 CG GLU A 673 8.606 -6.682 5.824 1.00 0.70 C ATOM 767 CD GLU A 673 7.616 -7.134 6.873 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.117 -6.277 7.630 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.322 -8.344 6.941 1.00 1.76 O ATOM 0 H GLU A 673 7.373 -6.596 2.073 1.00 0.22 H new ATOM 0 HA GLU A 673 9.150 -5.038 3.630 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.078 -6.087 4.458 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.739 -7.680 4.149 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.470 -7.346 5.833 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.968 -5.685 6.075 1.00 0.70 H new ATOM 776 N MET A 674 10.226 -7.973 2.606 1.00 0.27 N ATOM 777 CA MET A 674 11.436 -8.769 2.428 1.00 0.31 C ATOM 778 C MET A 674 12.419 -8.057 1.507 1.00 0.29 C ATOM 779 O MET A 674 13.622 -8.277 1.587 1.00 0.34 O ATOM 780 CB MET A 674 11.121 -10.158 1.867 1.00 0.36 C ATOM 781 CG MET A 674 10.308 -11.038 2.802 1.00 0.54 C ATOM 782 SD MET A 674 10.212 -12.749 2.235 1.00 0.60 S ATOM 783 CE MET A 674 9.379 -12.555 0.662 1.00 0.79 C ATOM 0 H MET A 674 9.395 -8.358 2.157 1.00 0.27 H new ATOM 0 HA MET A 674 11.888 -8.891 3.412 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.577 -10.044 0.929 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.058 -10.664 1.633 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.753 -11.013 3.797 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.301 -10.632 2.893 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.282 -13.527 0.179 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.388 -12.130 0.825 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.959 -11.889 0.023 1.00 0.79 H new ATOM 793 N LEU A 675 11.905 -7.201 0.633 1.00 0.26 N ATOM 794 CA LEU A 675 12.747 -6.415 -0.264 1.00 0.27 C ATOM 795 C LEU A 675 13.238 -5.152 0.438 1.00 0.30 C ATOM 796 O LEU A 675 14.195 -4.518 0.001 1.00 0.39 O ATOM 797 CB LEU A 675 11.967 -6.033 -1.533 1.00 0.27 C ATOM 798 CG LEU A 675 12.103 -6.979 -2.735 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.502 -6.909 -3.323 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.765 -8.413 -2.356 1.00 0.47 C ATOM 0 H LEU A 675 10.905 -7.032 0.525 1.00 0.26 H new ATOM 0 HA LEU A 675 13.608 -7.022 -0.545 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.911 -5.960 -1.275 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.288 -5.039 -1.844 1.00 0.27 H new ATOM 0 HG LEU A 675 11.389 -6.651 -3.490 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.574 -7.588 -4.173 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.707 -5.891 -3.653 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.230 -7.198 -2.565 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.872 -9.055 -3.230 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.443 -8.752 -1.572 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.738 -8.461 -1.994 1.00 0.47 H new ATOM 812 N PHE A 676 12.562 -4.782 1.515 1.00 0.30 N ATOM 813 CA PHE A 676 12.946 -3.613 2.293 1.00 0.37 C ATOM 814 C PHE A 676 14.063 -3.950 3.278 1.00 0.42 C ATOM 815 O PHE A 676 15.078 -3.252 3.338 1.00 0.46 O ATOM 816 CB PHE A 676 11.730 -3.046 3.038 1.00 0.44 C ATOM 817 CG PHE A 676 12.011 -1.763 3.774 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.785 -1.669 5.138 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.508 -0.655 3.105 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.046 -0.496 5.818 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.770 0.521 3.783 1.00 0.82 C ATOM 822 CZ PHE A 676 12.520 0.611 5.128 1.00 0.82 C ATOM 0 H PHE A 676 11.743 -5.275 1.871 1.00 0.30 H new ATOM 0 HA PHE A 676 13.321 -2.857 1.604 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.925 -2.875 2.323 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.372 -3.791 3.749 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.400 -2.523 5.675 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.693 -0.711 2.042 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.882 -0.440 6.884 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.173 1.371 3.252 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.692 1.541 5.649 1.00 0.82 H new ATOM 944 N ASP A 685 16.213 -3.627 -1.838 1.00 0.36 N ATOM 945 CA ASP A 685 16.156 -2.686 -2.948 1.00 0.32 C ATOM 946 C ASP A 685 15.018 -1.695 -2.731 1.00 0.27 C ATOM 947 O ASP A 685 13.845 -2.053 -2.835 1.00 0.26 O ATOM 948 CB ASP A 685 15.959 -3.422 -4.279 1.00 0.35 C ATOM 949 CG ASP A 685 16.066 -2.490 -5.470 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.123 -2.472 -6.128 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.090 -1.767 -5.759 1.00 1.68 O ATOM 0 HA ASP A 685 17.102 -2.147 -2.990 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.705 -4.212 -4.369 1.00 0.35 H new ATOM 0 HB3 ASP A 685 14.982 -3.905 -4.284 1.00 0.35 H new ATOM 956 N PRO A 686 15.366 -0.432 -2.410 1.00 0.29 N ATOM 957 CA PRO A 686 14.384 0.631 -2.138 1.00 0.29 C ATOM 958 C PRO A 686 13.337 0.790 -3.240 1.00 0.25 C ATOM 959 O PRO A 686 12.158 1.013 -2.960 1.00 0.25 O ATOM 960 CB PRO A 686 15.235 1.900 -2.061 1.00 0.37 C ATOM 961 CG PRO A 686 16.605 1.440 -1.703 1.00 0.42 C ATOM 962 CD PRO A 686 16.756 0.049 -2.268 1.00 0.37 C ATOM 0 HA PRO A 686 13.816 0.408 -1.235 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.236 2.430 -3.013 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.845 2.589 -1.312 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.359 2.110 -2.117 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.742 1.436 -0.622 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.274 0.062 -3.227 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.334 -0.592 -1.602 1.00 0.37 H new ATOM 970 N GLN A 687 13.762 0.662 -4.488 1.00 0.25 N ATOM 971 CA GLN A 687 12.872 0.878 -5.617 1.00 0.27 C ATOM 972 C GLN A 687 11.892 -0.278 -5.741 1.00 0.23 C ATOM 973 O GLN A 687 10.689 -0.071 -5.927 1.00 0.24 O ATOM 974 CB GLN A 687 13.675 1.039 -6.910 1.00 0.35 C ATOM 975 CG GLN A 687 12.824 1.243 -8.157 1.00 0.65 C ATOM 976 CD GLN A 687 11.965 2.494 -8.100 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.400 3.577 -8.491 1.00 2.21 O ATOM 978 NE2 GLN A 687 10.731 2.351 -7.636 1.00 1.23 N ATOM 0 H GLN A 687 14.717 0.410 -4.744 1.00 0.25 H new ATOM 0 HA GLN A 687 12.310 1.796 -5.446 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.349 1.889 -6.802 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.297 0.155 -7.050 1.00 0.35 H new ATOM 0 HG2 GLN A 687 13.476 1.298 -9.029 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.180 0.374 -8.295 1.00 0.65 H new ATOM 0 HE21 GLN A 687 10.407 1.436 -7.321 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.105 3.156 -7.594 1.00 1.23 H new ATOM 987 N ARG A 688 12.403 -1.493 -5.585 1.00 0.22 N ATOM 988 CA ARG A 688 11.586 -2.684 -5.712 1.00 0.23 C ATOM 989 C ARG A 688 10.633 -2.759 -4.527 1.00 0.18 C ATOM 990 O ARG A 688 9.458 -3.102 -4.677 1.00 0.20 O ATOM 991 CB ARG A 688 12.480 -3.931 -5.750 1.00 0.29 C ATOM 992 CG ARG A 688 12.048 -4.991 -6.753 1.00 0.70 C ATOM 993 CD ARG A 688 10.672 -5.550 -6.435 1.00 0.78 C ATOM 994 NE ARG A 688 10.259 -6.575 -7.390 1.00 1.67 N ATOM 995 CZ ARG A 688 9.090 -6.574 -8.032 1.00 2.16 C ATOM 996 NH1 ARG A 688 8.242 -5.563 -7.884 1.00 1.85 N ATOM 997 NH2 ARG A 688 8.777 -7.580 -8.839 1.00 3.24 N ATOM 0 H ARG A 688 13.383 -1.675 -5.370 1.00 0.22 H new ATOM 0 HA ARG A 688 11.013 -2.640 -6.638 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.500 -3.624 -5.983 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.501 -4.377 -4.756 1.00 0.29 H new ATOM 0 HG2 ARG A 688 12.042 -4.561 -7.755 1.00 0.70 H new ATOM 0 HG3 ARG A 688 12.776 -5.802 -6.759 1.00 0.70 H new ATOM 0 HD2 ARG A 688 10.677 -5.973 -5.430 1.00 0.78 H new ATOM 0 HD3 ARG A 688 9.943 -4.740 -6.437 1.00 0.78 H new ATOM 0 HE ARG A 688 10.906 -7.341 -7.578 1.00 1.67 H new ATOM 0 HH11 ARG A 688 8.483 -4.780 -7.276 1.00 1.85 H new ATOM 0 HH12 ARG A 688 7.350 -5.569 -8.378 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.430 -8.353 -8.968 1.00 3.24 H new ATOM 0 HH22 ARG A 688 7.883 -7.580 -9.331 1.00 3.24 H new ATOM 1011 N SER A 689 11.158 -2.424 -3.351 1.00 0.16 N ATOM 1012 CA SER A 689 10.367 -2.387 -2.134 1.00 0.17 C ATOM 1013 C SER A 689 9.170 -1.459 -2.299 1.00 0.15 C ATOM 1014 O SER A 689 8.025 -1.876 -2.102 1.00 0.16 O ATOM 1015 CB SER A 689 11.227 -1.936 -0.951 1.00 0.21 C ATOM 1016 OG SER A 689 10.521 -2.060 0.270 1.00 1.11 O ATOM 0 H SER A 689 12.138 -2.173 -3.220 1.00 0.16 H new ATOM 0 HA SER A 689 9.999 -3.394 -1.935 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.137 -2.534 -0.910 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.533 -0.900 -1.094 1.00 0.21 H new ATOM 0 HG SER A 689 10.242 -2.991 0.393 1.00 1.11 H new ATOM 1022 N GLY A 690 9.417 -0.209 -2.697 1.00 0.16 N ATOM 1023 CA GLY A 690 8.334 0.737 -2.839 1.00 0.18 C ATOM 1024 C GLY A 690 7.404 0.376 -3.976 1.00 0.17 C ATOM 1025 O GLY A 690 6.200 0.623 -3.900 1.00 0.19 O ATOM 0 H GLY A 690 10.343 0.157 -2.920 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.768 0.780 -1.909 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.744 1.733 -3.009 1.00 0.18 H new ATOM 1029 N ASP A 691 7.955 -0.220 -5.028 1.00 0.17 N ATOM 1030 CA ASP A 691 7.141 -0.656 -6.159 1.00 0.20 C ATOM 1031 C ASP A 691 6.169 -1.743 -5.709 1.00 0.18 C ATOM 1032 O ASP A 691 4.986 -1.715 -6.045 1.00 0.22 O ATOM 1033 CB ASP A 691 8.018 -1.172 -7.300 1.00 0.26 C ATOM 1034 CG ASP A 691 7.206 -1.682 -8.474 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.558 -0.855 -9.147 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.206 -2.908 -8.723 1.00 1.54 O ATOM 0 H ASP A 691 8.952 -0.411 -5.122 1.00 0.17 H new ATOM 0 HA ASP A 691 6.577 0.201 -6.528 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.676 -0.371 -7.638 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.656 -1.974 -6.929 1.00 0.26 H new ATOM 1041 N LEU A 692 6.663 -2.681 -4.913 1.00 0.16 N ATOM 1042 CA LEU A 692 5.820 -3.742 -4.384 1.00 0.16 C ATOM 1043 C LEU A 692 4.822 -3.191 -3.376 1.00 0.15 C ATOM 1044 O LEU A 692 3.679 -3.633 -3.335 1.00 0.16 O ATOM 1045 CB LEU A 692 6.666 -4.834 -3.738 1.00 0.20 C ATOM 1046 CG LEU A 692 7.342 -5.795 -4.708 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.437 -6.574 -4.000 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.313 -6.745 -5.298 1.00 0.73 C ATOM 0 H LEU A 692 7.639 -2.728 -4.621 1.00 0.16 H new ATOM 0 HA LEU A 692 5.268 -4.175 -5.218 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.434 -4.361 -3.127 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.032 -5.410 -3.064 1.00 0.20 H new ATOM 0 HG LEU A 692 7.795 -5.221 -5.517 1.00 0.48 H new ATOM 0 HD11 LEU A 692 8.912 -7.257 -4.705 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.182 -5.881 -3.609 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.005 -7.144 -3.178 1.00 1.35 H new ATOM 0 HD21 LEU A 692 6.804 -7.429 -5.990 1.00 0.73 H new ATOM 0 HD22 LEU A 692 5.843 -7.315 -4.497 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.553 -6.173 -5.831 1.00 0.73 H new ATOM 1060 N TYR A 693 5.247 -2.222 -2.571 1.00 0.15 N ATOM 1061 CA TYR A 693 4.346 -1.600 -1.604 1.00 0.17 C ATOM 1062 C TYR A 693 3.245 -0.815 -2.311 1.00 0.18 C ATOM 1063 O TYR A 693 2.094 -0.816 -1.876 1.00 0.20 O ATOM 1064 CB TYR A 693 5.101 -0.691 -0.625 1.00 0.21 C ATOM 1065 CG TYR A 693 5.612 -1.418 0.602 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.733 -2.097 1.438 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.963 -1.424 0.931 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.183 -2.761 2.562 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.421 -2.088 2.054 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.527 -2.755 2.866 1.00 1.05 C ATOM 1071 OH TYR A 693 6.979 -3.415 3.987 1.00 1.33 O ATOM 0 H TYR A 693 6.198 -1.853 -2.567 1.00 0.15 H new ATOM 0 HA TYR A 693 3.888 -2.405 -1.028 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.943 -0.232 -1.143 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.442 0.118 -0.310 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.679 -2.105 1.204 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.666 -0.902 0.299 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.485 -3.283 3.200 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.474 -2.085 2.294 1.00 0.96 H new ATOM 0 HH TYR A 693 6.281 -4.020 4.314 1.00 1.33 H new ATOM 1081 N THR A 694 3.588 -0.171 -3.418 1.00 0.19 N ATOM 1082 CA THR A 694 2.601 0.584 -4.176 1.00 0.22 C ATOM 1083 C THR A 694 1.655 -0.360 -4.917 1.00 0.20 C ATOM 1084 O THR A 694 0.448 -0.109 -4.992 1.00 0.21 O ATOM 1085 CB THR A 694 3.262 1.580 -5.153 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.336 0.948 -5.854 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.795 2.793 -4.405 1.00 0.31 C ATOM 0 H THR A 694 4.531 -0.156 -3.807 1.00 0.19 H new ATOM 0 HA THR A 694 2.020 1.170 -3.464 1.00 0.22 H new ATOM 0 HB THR A 694 2.505 1.906 -5.866 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.127 0.912 -5.277 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.257 3.482 -5.112 1.00 0.31 H new ATOM 0 HG22 THR A 694 2.974 3.294 -3.893 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.537 2.472 -3.674 1.00 0.31 H new ATOM 1095 N GLN A 695 2.192 -1.471 -5.426 1.00 0.19 N ATOM 1096 CA GLN A 695 1.352 -2.497 -6.033 1.00 0.20 C ATOM 1097 C GLN A 695 0.448 -3.114 -4.972 1.00 0.17 C ATOM 1098 O GLN A 695 -0.731 -3.392 -5.217 1.00 0.18 O ATOM 1099 CB GLN A 695 2.196 -3.594 -6.689 1.00 0.25 C ATOM 1100 CG GLN A 695 2.998 -3.130 -7.895 1.00 0.85 C ATOM 1101 CD GLN A 695 3.644 -4.282 -8.640 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.955 -5.355 -7.928 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 3.852 -4.215 -9.850 1.00 2.13 N flip ATOM 0 H GLN A 695 3.191 -1.679 -5.429 1.00 0.19 H new ATOM 0 HA GLN A 695 0.748 -2.024 -6.807 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.882 -4.001 -5.946 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.538 -4.407 -6.996 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.344 -2.584 -8.574 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.771 -2.434 -7.568 1.00 0.85 H new ATOM 0 HE21 GLN A 695 3.599 -3.372 -10.365 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.278 -5.003 -10.339 1.00 2.13 H new ATOM 1112 N ALA A 696 1.009 -3.323 -3.786 1.00 0.16 N ATOM 1113 CA ALA A 696 0.249 -3.823 -2.658 1.00 0.16 C ATOM 1114 C ALA A 696 -0.855 -2.849 -2.285 1.00 0.16 C ATOM 1115 O ALA A 696 -1.972 -3.261 -1.972 1.00 0.16 O ATOM 1116 CB ALA A 696 1.160 -4.081 -1.467 1.00 0.18 C ATOM 0 H ALA A 696 1.994 -3.151 -3.585 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.210 -4.768 -2.947 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.569 -4.456 -0.631 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.914 -4.820 -1.739 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.651 -3.152 -1.176 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.561 -1.551 -2.338 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.565 -0.543 -2.047 1.00 0.17 C ATOM 1124 C ALA A 697 -2.662 -0.567 -3.094 1.00 0.16 C ATOM 1125 O ALA A 697 -3.836 -0.363 -2.783 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.934 0.837 -1.985 1.00 0.20 C ATOM 0 H ALA A 697 0.358 -1.180 -2.578 1.00 0.16 H new ATOM 0 HA ALA A 697 -2.004 -0.770 -1.075 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.702 1.579 -1.766 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.177 0.856 -1.201 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.469 1.068 -2.944 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.271 -0.816 -4.340 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.232 -1.003 -5.413 1.00 0.20 C ATOM 1134 C GLU A 698 -4.177 -2.145 -5.058 1.00 0.18 C ATOM 1135 O GLU A 698 -5.400 -1.991 -5.067 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.508 -1.314 -6.725 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.437 -1.704 -7.860 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.685 -2.191 -9.076 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.578 -3.423 -9.262 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.188 -1.346 -9.846 1.00 1.40 O ATOM 0 H GLU A 698 -1.295 -0.892 -4.628 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.806 -0.085 -5.540 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.929 -0.441 -7.026 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.798 -2.123 -6.554 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.116 -2.486 -7.518 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -4.051 -0.846 -8.135 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.598 -3.283 -4.701 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.375 -4.453 -4.329 1.00 0.18 C ATOM 1149 C ALA A 699 -5.236 -4.175 -3.103 1.00 0.15 C ATOM 1150 O ALA A 699 -6.328 -4.722 -2.965 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.449 -5.622 -4.065 1.00 0.21 C ATOM 0 H ALA A 699 -2.588 -3.419 -4.662 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.040 -4.700 -5.156 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.037 -6.496 -3.786 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.875 -5.842 -4.965 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.767 -5.370 -3.253 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.740 -3.316 -2.226 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.459 -2.965 -1.013 1.00 0.13 C ATOM 1159 C ALA A 700 -6.674 -2.104 -1.341 1.00 0.13 C ATOM 1160 O ALA A 700 -7.782 -2.381 -0.885 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.544 -2.245 -0.041 1.00 0.14 C ATOM 0 H ALA A 700 -3.840 -2.848 -2.333 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.806 -3.884 -0.542 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -5.100 -1.990 0.861 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.707 -2.893 0.219 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.166 -1.333 -0.504 1.00 0.14 H new ATOM 1167 N MET A 701 -6.462 -1.069 -2.147 1.00 0.15 N ATOM 1168 CA MET A 701 -7.542 -0.165 -2.529 1.00 0.20 C ATOM 1169 C MET A 701 -8.586 -0.899 -3.369 1.00 0.23 C ATOM 1170 O MET A 701 -9.773 -0.586 -3.311 1.00 0.28 O ATOM 1171 CB MET A 701 -6.997 1.050 -3.298 1.00 0.27 C ATOM 1172 CG MET A 701 -6.518 0.730 -4.707 1.00 0.44 C ATOM 1173 SD MET A 701 -5.897 2.172 -5.596 1.00 0.74 S ATOM 1174 CE MET A 701 -4.494 2.624 -4.577 1.00 0.76 C ATOM 0 H MET A 701 -5.554 -0.835 -2.548 1.00 0.15 H new ATOM 0 HA MET A 701 -8.018 0.194 -1.616 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.776 1.810 -3.355 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.170 1.482 -2.734 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.730 -0.022 -4.653 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.340 0.290 -5.272 1.00 0.44 H new ATOM 0 HE1 MET A 701 -3.745 3.124 -5.191 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.822 3.297 -3.784 1.00 0.76 H new ATOM 0 HE3 MET A 701 -4.061 1.727 -4.135 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.139 -1.890 -4.136 1.00 0.24 N ATOM 1185 CA GLU A 702 -9.046 -2.687 -4.958 1.00 0.31 C ATOM 1186 C GLU A 702 -9.813 -3.704 -4.111 1.00 0.29 C ATOM 1187 O GLU A 702 -10.827 -4.253 -4.543 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.267 -3.398 -6.063 1.00 0.42 C ATOM 1189 CG GLU A 702 -7.698 -2.451 -7.108 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.775 -1.702 -7.867 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -9.138 -0.582 -7.455 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -9.267 -2.236 -8.884 1.00 2.58 O ATOM 0 H GLU A 702 -7.158 -2.160 -4.206 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.772 -2.012 -5.411 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.451 -3.965 -5.615 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -8.923 -4.117 -6.554 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.037 -1.734 -6.621 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -7.090 -3.018 -7.813 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.326 -3.946 -2.903 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.972 -4.876 -1.988 1.00 0.32 C ATOM 1201 C ALA A 703 -10.752 -4.135 -0.905 1.00 0.33 C ATOM 1202 O ALA A 703 -11.146 -4.731 0.103 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.941 -5.796 -1.361 1.00 0.39 C ATOM 0 H ALA A 703 -8.482 -3.509 -2.532 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.680 -5.475 -2.560 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.437 -6.487 -0.679 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.433 -6.360 -2.143 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.211 -5.203 -0.810 1.00 0.39 H new ATOM 1209 N MET A 704 -10.964 -2.834 -1.123 1.00 0.33 N ATOM 1210 CA MET A 704 -11.700 -1.983 -0.183 1.00 0.44 C ATOM 1211 C MET A 704 -10.967 -1.857 1.148 1.00 0.41 C ATOM 1212 O MET A 704 -11.582 -1.768 2.213 1.00 0.58 O ATOM 1213 CB MET A 704 -13.128 -2.499 0.036 1.00 0.61 C ATOM 1214 CG MET A 704 -14.042 -2.249 -1.151 1.00 1.01 C ATOM 1215 SD MET A 704 -14.195 -0.493 -1.535 1.00 2.03 S ATOM 1216 CE MET A 704 -15.205 -0.556 -3.010 1.00 2.61 C ATOM 0 H MET A 704 -10.632 -2.342 -1.953 1.00 0.33 H new ATOM 0 HA MET A 704 -11.762 -0.990 -0.629 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.094 -3.569 0.241 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.550 -2.019 0.919 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.656 -2.777 -2.023 1.00 1.01 H new ATOM 0 HG3 MET A 704 -15.029 -2.661 -0.940 1.00 1.01 H new ATOM 0 HE1 MET A 704 -15.387 0.457 -3.370 1.00 2.61 H new ATOM 0 HE2 MET A 704 -14.688 -1.127 -3.781 1.00 2.61 H new ATOM 0 HE3 MET A 704 -16.156 -1.036 -2.779 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.645 -1.842 1.078 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.816 -1.667 2.259 1.00 0.34 C ATOM 1228 C LYS A 705 -8.062 -0.341 2.179 1.00 0.31 C ATOM 1229 O LYS A 705 -6.850 -0.313 1.949 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.833 -2.833 2.400 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.496 -4.184 2.623 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.305 -4.203 3.910 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.785 -5.602 4.250 1.00 1.02 C ATOM 1234 NZ LYS A 705 -8.650 -6.516 4.544 1.00 1.59 N ATOM 0 H LYS A 705 -9.121 -1.950 0.210 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.459 -1.652 3.139 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.219 -2.886 1.501 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.161 -2.628 3.234 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.147 -4.414 1.780 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.734 -4.963 2.660 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.696 -3.818 4.728 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.163 -3.538 3.811 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.450 -5.559 5.112 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -10.366 -6.000 3.418 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -8.994 -7.334 5.086 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -8.229 -6.845 3.652 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -7.932 -6.010 5.100 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.801 0.752 2.354 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.229 2.084 2.288 1.00 0.47 C ATOM 1250 C GLY A 706 -7.040 2.278 3.212 1.00 0.42 C ATOM 1251 O GLY A 706 -6.000 2.778 2.778 1.00 0.40 O ATOM 0 H GLY A 706 -9.803 0.735 2.543 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.920 2.288 1.263 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.998 2.814 2.540 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.171 1.879 4.479 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.078 2.061 5.433 1.00 0.47 C ATOM 1257 C ARG A 707 -4.834 1.305 4.988 1.00 0.38 C ATOM 1258 O ARG A 707 -3.719 1.807 5.110 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.456 1.622 6.850 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.269 1.685 7.800 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.620 1.284 9.217 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.412 1.162 10.034 1.00 2.07 N ATOM 1263 CZ ARG A 707 -4.401 0.897 11.335 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -5.536 0.751 11.999 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -3.244 0.788 11.976 1.00 3.90 N ATOM 0 H ARG A 707 -8.006 1.436 4.862 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.869 3.131 5.456 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.256 2.260 7.226 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.845 0.604 6.823 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.479 1.032 7.429 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.868 2.699 7.804 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.288 2.025 9.655 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.157 0.336 9.209 1.00 1.28 H new ATOM 0 HE ARG A 707 -3.513 1.290 9.570 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.427 0.842 11.512 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -5.520 0.547 12.998 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -2.367 0.908 11.469 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -3.232 0.585 12.975 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.025 0.102 4.462 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.906 -0.708 3.996 1.00 0.30 C ATOM 1281 C LEU A 708 -3.188 0.003 2.860 1.00 0.23 C ATOM 1282 O LEU A 708 -1.962 0.097 2.853 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.380 -2.092 3.535 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.587 -3.139 4.641 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.275 -3.439 5.343 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.634 -2.686 5.648 1.00 1.02 C ATOM 0 H LEU A 708 -5.940 -0.333 4.347 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.215 -0.846 4.828 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.320 -1.971 2.997 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.653 -2.484 2.823 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.950 -4.052 4.168 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.441 -4.182 6.123 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.556 -3.825 4.621 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -2.884 -2.525 5.790 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.755 -3.450 6.416 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.313 -1.753 6.112 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.585 -2.530 5.139 1.00 1.02 H new ATOM 1298 N ALA A 709 -3.968 0.512 1.913 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.426 1.283 0.804 1.00 0.18 C ATOM 1300 C ALA A 709 -2.663 2.499 1.319 1.00 0.19 C ATOM 1301 O ALA A 709 -1.543 2.779 0.884 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.539 1.707 -0.142 1.00 0.21 C ATOM 0 H ALA A 709 -4.982 0.403 1.893 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.729 0.652 0.252 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.117 2.283 -0.966 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.038 0.822 -0.536 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.261 2.321 0.397 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.266 3.187 2.282 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.675 4.383 2.870 1.00 0.29 C ATOM 1310 C ASN A 710 -1.342 4.042 3.538 1.00 0.25 C ATOM 1311 O ASN A 710 -0.325 4.692 3.292 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.652 4.989 3.888 1.00 0.38 C ATOM 1313 CG ASN A 710 -3.258 6.382 4.346 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -3.636 7.372 3.722 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.528 6.479 5.451 1.00 1.45 N ATOM 0 H ASN A 710 -4.172 2.933 2.675 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.483 5.114 2.085 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.648 5.028 3.446 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.714 4.333 4.756 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -2.263 7.397 5.808 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.232 5.636 5.943 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.358 3.004 4.372 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.155 2.540 5.057 1.00 0.26 C ATOM 1324 C GLN A 711 0.925 2.133 4.064 1.00 0.22 C ATOM 1325 O GLN A 711 2.061 2.578 4.164 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.473 1.356 5.974 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.327 1.718 7.179 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.649 0.517 8.057 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -1.832 0.659 9.264 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -1.720 -0.671 7.463 1.00 1.09 N ATOM 0 H GLN A 711 -2.197 2.466 4.590 1.00 0.25 H new ATOM 0 HA GLN A 711 0.215 3.371 5.657 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.987 0.589 5.395 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.462 0.919 6.323 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.807 2.468 7.775 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.257 2.171 6.836 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -1.562 -0.749 6.458 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -1.933 -1.504 8.012 1.00 1.09 H new ATOM 1339 N TYR A 712 0.575 1.263 3.126 1.00 0.20 N ATOM 1340 CA TYR A 712 1.536 0.800 2.131 1.00 0.20 C ATOM 1341 C TYR A 712 2.126 1.956 1.325 1.00 0.20 C ATOM 1342 O TYR A 712 3.304 1.919 0.970 1.00 0.21 O ATOM 1343 CB TYR A 712 0.917 -0.254 1.212 1.00 0.22 C ATOM 1344 CG TYR A 712 0.550 -1.537 1.930 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.179 -1.907 3.115 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.426 -2.378 1.420 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.843 -3.076 3.765 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.767 -3.549 2.065 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.131 -3.893 3.238 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.465 -5.061 3.881 1.00 0.44 O ATOM 0 H TYR A 712 -0.360 0.865 3.032 1.00 0.20 H new ATOM 0 HA TYR A 712 2.358 0.333 2.673 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.024 0.161 0.745 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.618 -0.483 0.410 1.00 0.22 H new ATOM 0 HD1 TYR A 712 1.943 -1.268 3.533 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.928 -2.112 0.502 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.342 -3.349 4.683 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.529 -4.193 1.652 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.170 -5.521 3.379 1.00 0.44 H new ATOM 1360 N TYR A 713 1.335 2.994 1.051 1.00 0.21 N ATOM 1361 CA TYR A 713 1.886 4.190 0.416 1.00 0.25 C ATOM 1362 C TYR A 713 2.835 4.908 1.371 1.00 0.23 C ATOM 1363 O TYR A 713 3.917 5.341 0.973 1.00 0.25 O ATOM 1364 CB TYR A 713 0.784 5.147 -0.058 1.00 0.32 C ATOM 1365 CG TYR A 713 0.296 4.863 -1.461 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.103 5.102 -2.563 1.00 1.81 C ATOM 1367 CD2 TYR A 713 -0.978 4.356 -1.682 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.658 4.844 -3.845 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -1.432 4.095 -2.962 1.00 1.50 C ATOM 1370 CZ TYR A 713 -0.597 4.343 -4.043 1.00 2.20 C ATOM 1371 OH TYR A 713 -1.053 4.084 -5.317 1.00 2.95 O ATOM 0 H TYR A 713 0.336 3.032 1.253 1.00 0.21 H new ATOM 0 HA TYR A 713 2.441 3.866 -0.465 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.059 5.086 0.630 1.00 0.32 H new ATOM 0 HB3 TYR A 713 1.159 6.170 -0.013 1.00 0.32 H new ATOM 0 HD1 TYR A 713 2.097 5.497 -2.416 1.00 1.81 H new ATOM 0 HD2 TYR A 713 -1.625 4.162 -0.840 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.302 5.038 -4.690 1.00 2.50 H new ATOM 0 HE2 TYR A 713 -2.426 3.702 -3.119 1.00 1.50 H new ATOM 0 HH TYR A 713 -0.297 3.846 -5.893 1.00 2.95 H new ATOM 1381 N GLN A 714 2.438 4.997 2.638 1.00 0.24 N ATOM 1382 CA GLN A 714 3.264 5.622 3.671 1.00 0.28 C ATOM 1383 C GLN A 714 4.561 4.841 3.866 1.00 0.23 C ATOM 1384 O GLN A 714 5.610 5.407 4.182 1.00 0.26 O ATOM 1385 CB GLN A 714 2.485 5.683 4.986 1.00 0.36 C ATOM 1386 CG GLN A 714 3.181 6.466 6.085 1.00 0.65 C ATOM 1387 CD GLN A 714 2.237 6.814 7.217 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.122 6.088 8.205 1.00 1.94 O ATOM 1389 NE2 GLN A 714 1.530 7.920 7.063 1.00 1.98 N ATOM 0 H GLN A 714 1.544 4.642 2.977 1.00 0.24 H new ATOM 0 HA GLN A 714 3.516 6.634 3.354 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.510 6.132 4.797 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.306 4.667 5.337 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.015 5.882 6.475 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.601 7.382 5.668 1.00 0.65 H new ATOM 0 HE21 GLN A 714 1.656 8.494 6.229 1.00 1.98 H new ATOM 0 HE22 GLN A 714 0.859 8.200 7.778 1.00 1.98 H new ATOM 1398 N LYS A 715 4.488 3.544 3.620 1.00 0.21 N ATOM 1399 CA LYS A 715 5.629 2.672 3.814 1.00 0.22 C ATOM 1400 C LYS A 715 6.518 2.733 2.582 1.00 0.20 C ATOM 1401 O LYS A 715 7.738 2.636 2.682 1.00 0.23 O ATOM 1402 CB LYS A 715 5.176 1.233 4.094 1.00 0.27 C ATOM 1403 CG LYS A 715 6.317 0.251 4.342 1.00 0.61 C ATOM 1404 CD LYS A 715 7.108 0.586 5.600 1.00 0.86 C ATOM 1405 CE LYS A 715 8.168 -0.467 5.903 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.570 -1.777 6.278 1.00 1.67 N ATOM 0 H LYS A 715 3.648 3.073 3.285 1.00 0.21 H new ATOM 0 HA LYS A 715 6.196 3.009 4.682 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.518 1.234 4.963 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.586 0.880 3.249 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.913 -0.758 4.428 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.988 0.253 3.483 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.586 1.558 5.480 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.426 0.668 6.446 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.807 -0.598 5.030 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.805 -0.115 6.714 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.237 -2.304 6.877 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.686 -1.618 6.802 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.369 -2.326 5.418 1.00 1.67 H new ATOM 1420 N ALA A 716 5.898 2.899 1.418 1.00 0.17 N ATOM 1421 CA ALA A 716 6.636 3.143 0.188 1.00 0.18 C ATOM 1422 C ALA A 716 7.407 4.452 0.293 1.00 0.21 C ATOM 1423 O ALA A 716 8.603 4.516 -0.020 1.00 0.25 O ATOM 1424 CB ALA A 716 5.687 3.179 -1.003 1.00 0.21 C ATOM 0 H ALA A 716 4.885 2.869 1.303 1.00 0.17 H new ATOM 0 HA ALA A 716 7.345 2.329 0.037 1.00 0.18 H new ATOM 0 HB1 ALA A 716 6.255 3.362 -1.915 1.00 0.21 H new ATOM 0 HB2 ALA A 716 5.169 2.224 -1.084 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.958 3.977 -0.863 1.00 0.21 H new ATOM 1430 N GLU A 717 6.718 5.494 0.751 1.00 0.24 N ATOM 1431 CA GLU A 717 7.347 6.784 0.962 1.00 0.32 C ATOM 1432 C GLU A 717 8.475 6.665 1.969 1.00 0.31 C ATOM 1433 O GLU A 717 9.567 7.181 1.744 1.00 0.33 O ATOM 1434 CB GLU A 717 6.334 7.816 1.446 1.00 0.45 C ATOM 1435 CG GLU A 717 5.247 8.132 0.438 1.00 1.26 C ATOM 1436 CD GLU A 717 4.460 9.361 0.825 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.546 10.382 0.112 1.00 2.16 O ATOM 1438 OE2 GLU A 717 3.735 9.303 1.840 1.00 2.04 O ATOM 0 H GLU A 717 5.725 5.465 0.981 1.00 0.24 H new ATOM 0 HA GLU A 717 7.752 7.117 0.006 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.870 7.453 2.363 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.860 8.737 1.698 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.695 8.282 -0.544 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.572 7.280 0.353 1.00 1.26 H new ATOM 1445 N GLU A 718 8.204 5.983 3.080 1.00 0.31 N ATOM 1446 CA GLU A 718 9.224 5.742 4.087 1.00 0.36 C ATOM 1447 C GLU A 718 10.403 4.992 3.480 1.00 0.33 C ATOM 1448 O GLU A 718 11.551 5.341 3.725 1.00 0.36 O ATOM 1449 CB GLU A 718 8.654 4.956 5.268 1.00 0.43 C ATOM 1450 CG GLU A 718 9.695 4.606 6.318 1.00 1.06 C ATOM 1451 CD GLU A 718 9.099 3.954 7.545 1.00 1.46 C ATOM 1452 OE1 GLU A 718 9.039 4.605 8.608 1.00 1.75 O ATOM 1453 OE2 GLU A 718 8.664 2.794 7.448 1.00 2.20 O ATOM 0 H GLU A 718 7.289 5.591 3.301 1.00 0.31 H new ATOM 0 HA GLU A 718 9.570 6.709 4.454 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.860 5.540 5.734 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.199 4.037 4.898 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.434 3.936 5.880 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.223 5.512 6.615 1.00 1.06 H new ATOM 1460 N ALA A 719 10.108 3.973 2.679 1.00 0.28 N ATOM 1461 CA ALA A 719 11.143 3.200 2.006 1.00 0.29 C ATOM 1462 C ALA A 719 12.086 4.107 1.229 1.00 0.30 C ATOM 1463 O ALA A 719 13.298 4.065 1.424 1.00 0.37 O ATOM 1464 CB ALA A 719 10.527 2.160 1.079 1.00 0.28 C ATOM 0 H ALA A 719 9.157 3.663 2.480 1.00 0.28 H new ATOM 0 HA ALA A 719 11.720 2.682 2.772 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.320 1.595 0.588 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.903 1.480 1.659 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.917 2.659 0.326 1.00 0.28 H new ATOM 1470 N TRP A 720 11.527 4.941 0.360 1.00 0.26 N ATOM 1471 CA TRP A 720 12.348 5.827 -0.464 1.00 0.28 C ATOM 1472 C TRP A 720 12.997 6.942 0.362 1.00 0.33 C ATOM 1473 O TRP A 720 14.149 7.304 0.123 1.00 0.36 O ATOM 1474 CB TRP A 720 11.524 6.424 -1.611 1.00 0.29 C ATOM 1475 CG TRP A 720 10.960 5.382 -2.537 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.571 4.222 -2.928 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.686 5.406 -3.201 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.752 3.517 -3.772 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.593 4.221 -3.960 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.614 6.306 -3.226 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.475 3.915 -4.730 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.506 6.000 -3.994 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.443 4.814 -4.736 1.00 0.45 C ATOM 0 H TRP A 720 10.522 5.024 0.207 1.00 0.26 H new ATOM 0 HA TRP A 720 13.150 5.220 -0.885 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.706 7.013 -1.195 1.00 0.29 H new ATOM 0 HB3 TRP A 720 12.151 7.109 -2.183 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.556 3.907 -2.617 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.971 2.614 -4.192 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.652 7.222 -2.656 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.423 3.001 -5.302 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.674 6.688 -4.022 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.562 4.604 -5.325 1.00 0.45 H new