USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=14 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 130:sc= 0.0693 USER MOD Set 1.2: A 705 LYS NZ :NH3+ -139:sc= 1.33 (180deg=-0.183) USER MOD Single : A 666 MET CE :methyl 166:sc= 0 (180deg=-0.308) USER MOD Single : A 667 MET CE :methyl 164:sc= -0.0817 (180deg=-0.468) USER MOD Single : A 674 MET CE :methyl 179:sc= -0.745 (180deg=-0.751) USER MOD Single : A 687 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.68) USER MOD Single : A 689 SER OG : rot -149:sc= -1.28 USER MOD Single : A 693 TYR OH : rot 15:sc=-0.00452 USER MOD Single : A 694 THR OG1 : rot -85:sc= 1.22 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.428 F(o=-1.4,f=-0.43) USER MOD Single : A 701 MET CE :methyl -119:sc= -0.0226 (180deg=-2.47) USER MOD Single : A 704 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.1) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.038 F(o=-1.3!,f=-0.038) USER MOD Single : A 712 TYR OH : rot -152:sc= 0.451 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc=-0.00998 K(o=-0.01,f=-0.9) USER MOD Single : A 715 LYS NZ :NH3+ -154:sc= 0.116 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.542 -8.453 -1.561 1.00 0.30 N ATOM 629 CA TYR A 665 -1.781 -7.303 -1.092 1.00 0.25 C ATOM 630 C TYR A 665 -0.917 -7.661 0.112 1.00 0.22 C ATOM 631 O TYR A 665 0.100 -7.020 0.362 1.00 0.22 O ATOM 632 CB TYR A 665 -2.702 -6.110 -0.781 1.00 0.27 C ATOM 633 CG TYR A 665 -4.023 -6.444 -0.117 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.069 -6.999 -0.845 1.00 0.48 C ATOM 635 CD2 TYR A 665 -4.237 -6.170 1.227 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.284 -7.276 -0.254 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.453 -6.448 1.828 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.473 -7.001 1.081 1.00 0.64 C ATOM 639 OH TYR A 665 -7.686 -7.280 1.669 1.00 0.81 O ATOM 0 HA TYR A 665 -1.113 -7.003 -1.899 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.160 -5.417 -0.138 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -2.910 -5.584 -1.713 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -4.928 -7.217 -1.893 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.442 -5.733 1.813 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.084 -7.707 -0.837 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.602 -6.233 2.876 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.540 -7.790 2.493 1.00 0.81 H new ATOM 649 N MET A 666 -1.295 -8.710 0.827 1.00 0.25 N ATOM 650 CA MET A 666 -0.516 -9.159 1.970 1.00 0.28 C ATOM 651 C MET A 666 0.762 -9.836 1.504 1.00 0.25 C ATOM 652 O MET A 666 1.823 -9.639 2.088 1.00 0.25 O ATOM 653 CB MET A 666 -1.327 -10.104 2.855 1.00 0.37 C ATOM 654 CG MET A 666 -2.440 -9.408 3.623 1.00 0.48 C ATOM 655 SD MET A 666 -1.843 -8.016 4.602 1.00 1.17 S ATOM 656 CE MET A 666 -3.348 -7.532 5.444 1.00 1.14 C ATOM 0 H MET A 666 -2.131 -9.263 0.637 1.00 0.25 H new ATOM 0 HA MET A 666 -0.255 -8.284 2.565 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.760 -10.889 2.235 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.657 -10.591 3.563 1.00 0.37 H new ATOM 0 HG2 MET A 666 -3.196 -9.056 2.921 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.927 -10.128 4.281 1.00 0.48 H new ATOM 0 HE1 MET A 666 -3.105 -6.856 6.264 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.011 -7.027 4.742 1.00 1.14 H new ATOM 0 HE3 MET A 666 -3.845 -8.418 5.839 1.00 1.14 H new ATOM 666 N MET A 667 0.667 -10.605 0.425 1.00 0.26 N ATOM 667 CA MET A 667 1.831 -11.286 -0.123 1.00 0.27 C ATOM 668 C MET A 667 2.747 -10.271 -0.791 1.00 0.23 C ATOM 669 O MET A 667 3.970 -10.300 -0.613 1.00 0.23 O ATOM 670 CB MET A 667 1.411 -12.362 -1.132 1.00 0.34 C ATOM 671 CG MET A 667 2.579 -13.153 -1.711 1.00 0.47 C ATOM 672 SD MET A 667 2.053 -14.472 -2.825 1.00 1.20 S ATOM 673 CE MET A 667 1.262 -13.530 -4.127 1.00 1.10 C ATOM 0 H MET A 667 -0.201 -10.771 -0.085 1.00 0.26 H new ATOM 0 HA MET A 667 2.364 -11.776 0.692 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.722 -13.053 -0.646 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.865 -11.888 -1.948 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.240 -12.473 -2.248 1.00 0.47 H new ATOM 0 HG3 MET A 667 3.159 -13.584 -0.895 1.00 0.47 H new ATOM 0 HE1 MET A 667 1.141 -14.159 -5.009 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.284 -13.189 -3.787 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.879 -12.668 -4.379 1.00 1.10 H new ATOM 683 N LEU A 668 2.139 -9.357 -1.543 1.00 0.21 N ATOM 684 CA LEU A 668 2.883 -8.286 -2.195 1.00 0.19 C ATOM 685 C LEU A 668 3.576 -7.407 -1.158 1.00 0.17 C ATOM 686 O LEU A 668 4.728 -7.007 -1.343 1.00 0.17 O ATOM 687 CB LEU A 668 1.964 -7.429 -3.082 1.00 0.21 C ATOM 688 CG LEU A 668 1.737 -7.942 -4.515 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.100 -9.322 -4.524 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.873 -6.963 -5.295 1.00 0.80 C ATOM 0 H LEU A 668 1.134 -9.338 -1.715 1.00 0.21 H new ATOM 0 HA LEU A 668 3.639 -8.747 -2.831 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.995 -7.344 -2.590 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.382 -6.424 -3.139 1.00 0.21 H new ATOM 0 HG LEU A 668 2.713 -8.022 -4.994 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.956 -9.649 -5.554 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.751 -10.027 -4.007 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.135 -9.281 -4.018 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.721 -7.338 -6.307 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.092 -6.854 -4.799 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.370 -5.994 -5.339 1.00 0.80 H new ATOM 702 N ALA A 669 2.898 -7.144 -0.041 1.00 0.18 N ATOM 703 CA ALA A 669 3.468 -6.303 0.999 1.00 0.19 C ATOM 704 C ALA A 669 4.501 -7.078 1.804 1.00 0.20 C ATOM 705 O ALA A 669 5.480 -6.512 2.277 1.00 0.22 O ATOM 706 CB ALA A 669 2.382 -5.768 1.914 1.00 0.23 C ATOM 0 H ALA A 669 1.963 -7.499 0.161 1.00 0.18 H new ATOM 0 HA ALA A 669 3.961 -5.457 0.520 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.831 -5.141 2.684 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.675 -5.177 1.332 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.859 -6.601 2.383 1.00 0.23 H new ATOM 712 N ARG A 670 4.271 -8.378 1.958 1.00 0.22 N ATOM 713 CA ARG A 670 5.220 -9.251 2.630 1.00 0.26 C ATOM 714 C ARG A 670 6.536 -9.264 1.865 1.00 0.23 C ATOM 715 O ARG A 670 7.614 -9.096 2.448 1.00 0.25 O ATOM 716 CB ARG A 670 4.655 -10.667 2.724 1.00 0.33 C ATOM 717 CG ARG A 670 5.526 -11.626 3.514 1.00 0.41 C ATOM 718 CD ARG A 670 4.938 -13.025 3.517 1.00 0.83 C ATOM 719 NE ARG A 670 5.704 -13.949 4.350 1.00 1.62 N ATOM 720 CZ ARG A 670 5.377 -15.231 4.527 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.316 -15.741 3.911 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.117 -16.003 5.312 1.00 3.33 N ATOM 0 H ARG A 670 3.431 -8.850 1.624 1.00 0.22 H new ATOM 0 HA ARG A 670 5.396 -8.877 3.638 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.668 -10.624 3.185 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.519 -11.061 1.717 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.527 -11.650 3.084 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.628 -11.269 4.539 1.00 0.41 H new ATOM 0 HD2 ARG A 670 3.910 -12.983 3.876 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.904 -13.404 2.496 1.00 0.83 H new ATOM 0 HE ARG A 670 6.535 -13.595 4.823 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.749 -15.153 3.301 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.069 -16.721 4.048 1.00 2.41 H new ATOM 0 HH21 ARG A 670 6.937 -15.617 5.781 1.00 3.33 H new ATOM 0 HH22 ARG A 670 5.866 -16.983 5.447 1.00 3.33 H new ATOM 736 N GLU A 671 6.445 -9.430 0.550 1.00 0.22 N ATOM 737 CA GLU A 671 7.626 -9.418 -0.288 1.00 0.23 C ATOM 738 C GLU A 671 8.258 -8.034 -0.247 1.00 0.19 C ATOM 739 O GLU A 671 9.470 -7.898 -0.103 1.00 0.21 O ATOM 740 CB GLU A 671 7.281 -9.818 -1.725 1.00 0.30 C ATOM 741 CG GLU A 671 8.496 -9.915 -2.630 1.00 0.38 C ATOM 742 CD GLU A 671 8.173 -10.482 -3.994 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.196 -9.720 -4.982 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.898 -11.694 -4.090 1.00 1.11 O ATOM 0 H GLU A 671 5.568 -9.573 0.049 1.00 0.22 H new ATOM 0 HA GLU A 671 8.340 -10.148 0.092 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.767 -10.779 -1.714 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.585 -9.089 -2.140 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.934 -8.924 -2.749 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.249 -10.541 -2.152 1.00 0.38 H new ATOM 751 N ALA A 672 7.418 -7.010 -0.340 1.00 0.17 N ATOM 752 CA ALA A 672 7.872 -5.633 -0.218 1.00 0.18 C ATOM 753 C ALA A 672 8.640 -5.414 1.083 1.00 0.20 C ATOM 754 O ALA A 672 9.671 -4.746 1.095 1.00 0.23 O ATOM 755 CB ALA A 672 6.692 -4.682 -0.300 1.00 0.21 C ATOM 0 H ALA A 672 6.416 -7.110 -0.500 1.00 0.17 H new ATOM 0 HA ALA A 672 8.551 -5.429 -1.046 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.045 -3.655 -0.207 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.189 -4.808 -1.259 1.00 0.21 H new ATOM 0 HB3 ALA A 672 5.993 -4.899 0.507 1.00 0.21 H new ATOM 761 N GLU A 673 8.137 -5.989 2.171 1.00 0.22 N ATOM 762 CA GLU A 673 8.785 -5.870 3.469 1.00 0.28 C ATOM 763 C GLU A 673 10.126 -6.588 3.460 1.00 0.28 C ATOM 764 O GLU A 673 11.118 -6.081 3.994 1.00 0.31 O ATOM 765 CB GLU A 673 7.893 -6.443 4.574 1.00 0.34 C ATOM 766 CG GLU A 673 8.492 -6.305 5.965 1.00 0.70 C ATOM 767 CD GLU A 673 7.629 -6.928 7.042 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.661 -6.277 7.488 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.918 -8.071 7.455 1.00 1.76 O ATOM 0 H GLU A 673 7.281 -6.543 2.177 1.00 0.22 H new ATOM 0 HA GLU A 673 8.952 -4.812 3.670 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.928 -5.938 4.550 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.706 -7.497 4.370 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.476 -6.773 5.979 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.638 -5.248 6.189 1.00 0.70 H new ATOM 776 N MET A 674 10.157 -7.760 2.833 1.00 0.27 N ATOM 777 CA MET A 674 11.392 -8.531 2.734 1.00 0.31 C ATOM 778 C MET A 674 12.392 -7.823 1.827 1.00 0.29 C ATOM 779 O MET A 674 13.599 -7.983 1.980 1.00 0.34 O ATOM 780 CB MET A 674 11.124 -9.953 2.219 1.00 0.36 C ATOM 781 CG MET A 674 10.274 -10.798 3.158 1.00 0.54 C ATOM 782 SD MET A 674 10.213 -12.540 2.681 1.00 0.60 S ATOM 783 CE MET A 674 9.475 -12.438 1.051 1.00 0.79 C ATOM 0 H MET A 674 9.348 -8.194 2.389 1.00 0.27 H new ATOM 0 HA MET A 674 11.816 -8.609 3.735 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.627 -9.891 1.251 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.077 -10.456 2.056 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.671 -10.718 4.170 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.260 -10.398 3.181 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.392 -13.438 0.626 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.483 -11.993 1.128 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.101 -11.821 0.406 1.00 0.79 H new ATOM 793 N LEU A 675 11.883 -7.027 0.893 1.00 0.26 N ATOM 794 CA LEU A 675 12.727 -6.255 -0.015 1.00 0.27 C ATOM 795 C LEU A 675 13.113 -4.920 0.613 1.00 0.30 C ATOM 796 O LEU A 675 14.106 -4.307 0.230 1.00 0.39 O ATOM 797 CB LEU A 675 11.988 -6.011 -1.340 1.00 0.27 C ATOM 798 CG LEU A 675 12.200 -7.054 -2.447 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.603 -6.956 -3.018 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.939 -8.464 -1.940 1.00 0.47 C ATOM 0 H LEU A 675 10.882 -6.898 0.744 1.00 0.26 H new ATOM 0 HA LEU A 675 13.636 -6.825 -0.208 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.920 -5.951 -1.129 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.292 -5.038 -1.726 1.00 0.27 H new ATOM 0 HG LEU A 675 11.482 -6.840 -3.239 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.730 -7.704 -3.800 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.756 -5.962 -3.438 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.331 -7.131 -2.226 1.00 0.53 H new ATOM 0 HD21 LEU A 675 12.098 -9.177 -2.749 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.621 -8.688 -1.120 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.910 -8.539 -1.587 1.00 0.47 H new ATOM 812 N PHE A 676 12.310 -4.466 1.564 1.00 0.30 N ATOM 813 CA PHE A 676 12.573 -3.215 2.261 1.00 0.37 C ATOM 814 C PHE A 676 13.682 -3.393 3.284 1.00 0.42 C ATOM 815 O PHE A 676 14.708 -2.715 3.224 1.00 0.46 O ATOM 816 CB PHE A 676 11.296 -2.707 2.946 1.00 0.44 C ATOM 817 CG PHE A 676 11.475 -1.420 3.708 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.034 -1.306 5.018 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.092 -0.328 3.116 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.204 -0.128 5.720 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.262 0.852 3.816 1.00 0.82 C ATOM 822 CZ PHE A 676 11.793 0.959 5.111 1.00 0.82 C ATOM 0 H PHE A 676 11.466 -4.948 1.872 1.00 0.30 H new ATOM 0 HA PHE A 676 12.896 -2.476 1.528 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.524 -2.564 2.190 1.00 0.44 H new ATOM 0 HB3 PHE A 676 10.934 -3.474 3.630 1.00 0.44 H new ATOM 0 HD1 PHE A 676 10.552 -2.147 5.495 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.443 -0.400 2.097 1.00 0.69 H new ATOM 0 HE1 PHE A 676 10.875 -0.059 6.746 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.761 1.689 3.351 1.00 0.82 H new ATOM 0 HZ PHE A 676 11.888 1.893 5.645 1.00 0.82 H new ATOM 944 N ASP A 685 16.070 -3.813 -1.688 1.00 0.36 N ATOM 945 CA ASP A 685 16.107 -2.867 -2.791 1.00 0.32 C ATOM 946 C ASP A 685 14.976 -1.859 -2.627 1.00 0.27 C ATOM 947 O ASP A 685 13.818 -2.177 -2.899 1.00 0.26 O ATOM 948 CB ASP A 685 15.966 -3.603 -4.130 1.00 0.35 C ATOM 949 CG ASP A 685 16.070 -2.671 -5.321 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.183 -2.515 -5.868 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.042 -2.096 -5.725 1.00 1.68 O ATOM 0 HA ASP A 685 17.064 -2.345 -2.784 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.739 -4.368 -4.203 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.005 -4.117 -4.158 1.00 0.35 H new ATOM 956 N PRO A 686 15.293 -0.639 -2.145 1.00 0.29 N ATOM 957 CA PRO A 686 14.291 0.410 -1.883 1.00 0.29 C ATOM 958 C PRO A 686 13.366 0.684 -3.069 1.00 0.25 C ATOM 959 O PRO A 686 12.188 0.997 -2.884 1.00 0.25 O ATOM 960 CB PRO A 686 15.141 1.646 -1.577 1.00 0.37 C ATOM 961 CG PRO A 686 16.415 1.098 -1.041 1.00 0.42 C ATOM 962 CD PRO A 686 16.656 -0.192 -1.787 1.00 0.37 C ATOM 0 HA PRO A 686 13.618 0.116 -1.078 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.311 2.242 -2.473 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.651 2.295 -0.851 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.237 1.798 -1.195 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.343 0.921 0.032 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.273 -0.036 -2.672 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.170 -0.926 -1.166 1.00 0.37 H new ATOM 970 N GLN A 687 13.887 0.550 -4.282 1.00 0.25 N ATOM 971 CA GLN A 687 13.095 0.817 -5.475 1.00 0.27 C ATOM 972 C GLN A 687 12.015 -0.245 -5.644 1.00 0.23 C ATOM 973 O GLN A 687 10.822 0.076 -5.727 1.00 0.24 O ATOM 974 CB GLN A 687 13.985 0.876 -6.719 1.00 0.35 C ATOM 975 CG GLN A 687 13.223 1.175 -8.002 1.00 0.65 C ATOM 976 CD GLN A 687 12.440 2.475 -7.934 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.843 3.426 -7.261 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.308 2.521 -8.618 1.00 1.23 N ATOM 0 H GLN A 687 14.848 0.260 -4.465 1.00 0.25 H new ATOM 0 HA GLN A 687 12.614 1.788 -5.354 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.748 1.641 -6.573 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.505 -0.076 -6.829 1.00 0.35 H new ATOM 0 HG2 GLN A 687 13.926 1.223 -8.834 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.537 0.354 -8.211 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.008 1.713 -9.163 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.735 3.365 -8.600 1.00 1.23 H new ATOM 987 N ARG A 688 12.423 -1.511 -5.650 1.00 0.22 N ATOM 988 CA ARG A 688 11.477 -2.602 -5.806 1.00 0.23 C ATOM 989 C ARG A 688 10.579 -2.666 -4.582 1.00 0.18 C ATOM 990 O ARG A 688 9.401 -3.001 -4.682 1.00 0.20 O ATOM 991 CB ARG A 688 12.201 -3.939 -5.985 1.00 0.29 C ATOM 992 CG ARG A 688 11.268 -5.075 -6.377 1.00 0.70 C ATOM 993 CD ARG A 688 11.957 -6.427 -6.314 1.00 0.78 C ATOM 994 NE ARG A 688 13.108 -6.517 -7.212 1.00 1.67 N ATOM 995 CZ ARG A 688 13.887 -7.595 -7.314 1.00 2.16 C ATOM 996 NH1 ARG A 688 13.626 -8.675 -6.586 1.00 1.85 N ATOM 997 NH2 ARG A 688 14.919 -7.597 -8.150 1.00 3.24 N ATOM 0 H ARG A 688 13.396 -1.801 -5.549 1.00 0.22 H new ATOM 0 HA ARG A 688 10.879 -2.418 -6.699 1.00 0.23 H new ATOM 0 HB2 ARG A 688 12.971 -3.829 -6.749 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.709 -4.198 -5.056 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.403 -5.078 -5.714 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.895 -4.905 -7.387 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.284 -6.616 -5.291 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.240 -7.208 -6.569 1.00 0.78 H new ATOM 0 HE ARG A 688 13.328 -5.709 -7.794 1.00 1.67 H new ATOM 0 HH11 ARG A 688 12.830 -8.680 -5.949 1.00 1.85 H new ATOM 0 HH12 ARG A 688 14.222 -9.499 -6.664 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.118 -6.772 -8.717 1.00 3.24 H new ATOM 0 HH22 ARG A 688 15.513 -8.423 -8.225 1.00 3.24 H new ATOM 1011 N SER A 689 11.154 -2.344 -3.427 1.00 0.16 N ATOM 1012 CA SER A 689 10.400 -2.262 -2.189 1.00 0.17 C ATOM 1013 C SER A 689 9.199 -1.345 -2.356 1.00 0.15 C ATOM 1014 O SER A 689 8.059 -1.763 -2.129 1.00 0.16 O ATOM 1015 CB SER A 689 11.291 -1.752 -1.058 1.00 0.21 C ATOM 1016 OG SER A 689 10.591 -1.733 0.170 1.00 1.11 O ATOM 0 H SER A 689 12.147 -2.135 -3.327 1.00 0.16 H new ATOM 0 HA SER A 689 10.045 -3.261 -1.937 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.171 -2.388 -0.969 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.646 -0.749 -1.294 1.00 0.21 H new ATOM 0 HG SER A 689 10.933 -1.005 0.730 1.00 1.11 H new ATOM 1022 N GLY A 690 9.436 -0.105 -2.789 1.00 0.16 N ATOM 1023 CA GLY A 690 8.347 0.824 -2.962 1.00 0.18 C ATOM 1024 C GLY A 690 7.419 0.409 -4.077 1.00 0.17 C ATOM 1025 O GLY A 690 6.215 0.642 -4.003 1.00 0.19 O ATOM 0 H GLY A 690 10.359 0.263 -3.019 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.784 0.900 -2.032 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.747 1.816 -3.174 1.00 0.18 H new ATOM 1029 N ASP A 691 7.971 -0.222 -5.108 1.00 0.17 N ATOM 1030 CA ASP A 691 7.156 -0.699 -6.222 1.00 0.20 C ATOM 1031 C ASP A 691 6.182 -1.765 -5.730 1.00 0.18 C ATOM 1032 O ASP A 691 4.991 -1.733 -6.043 1.00 0.22 O ATOM 1033 CB ASP A 691 8.032 -1.265 -7.342 1.00 0.26 C ATOM 1034 CG ASP A 691 7.221 -1.648 -8.563 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.905 -0.760 -9.382 1.00 0.84 O ATOM 1036 OD2 ASP A 691 6.888 -2.841 -8.706 1.00 1.54 O ATOM 0 H ASP A 691 8.969 -0.414 -5.197 1.00 0.17 H new ATOM 0 HA ASP A 691 6.596 0.145 -6.624 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.782 -0.526 -7.623 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.568 -2.140 -6.975 1.00 0.26 H new ATOM 1041 N LEU A 692 6.686 -2.684 -4.917 1.00 0.16 N ATOM 1042 CA LEU A 692 5.868 -3.750 -4.372 1.00 0.16 C ATOM 1043 C LEU A 692 4.883 -3.200 -3.349 1.00 0.15 C ATOM 1044 O LEU A 692 3.745 -3.648 -3.287 1.00 0.16 O ATOM 1045 CB LEU A 692 6.748 -4.826 -3.735 1.00 0.20 C ATOM 1046 CG LEU A 692 7.562 -5.673 -4.712 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.711 -6.358 -3.989 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.668 -6.710 -5.371 1.00 0.73 C ATOM 0 H LEU A 692 7.662 -2.709 -4.622 1.00 0.16 H new ATOM 0 HA LEU A 692 5.303 -4.200 -5.188 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.435 -4.344 -3.039 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.113 -5.489 -3.148 1.00 0.20 H new ATOM 0 HG LEU A 692 7.975 -5.020 -5.481 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.281 -6.958 -4.698 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.362 -5.605 -3.545 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.315 -7.003 -3.205 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.257 -7.309 -6.066 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.238 -7.358 -4.607 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.867 -6.208 -5.914 1.00 0.73 H new ATOM 1060 N TYR A 693 5.315 -2.222 -2.556 1.00 0.15 N ATOM 1061 CA TYR A 693 4.430 -1.595 -1.577 1.00 0.17 C ATOM 1062 C TYR A 693 3.317 -0.810 -2.265 1.00 0.18 C ATOM 1063 O TYR A 693 2.171 -0.834 -1.822 1.00 0.20 O ATOM 1064 CB TYR A 693 5.201 -0.679 -0.618 1.00 0.21 C ATOM 1065 CG TYR A 693 5.686 -1.378 0.637 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.779 -1.934 1.530 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.040 -1.469 0.937 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.206 -2.562 2.686 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.474 -2.099 2.089 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.553 -2.643 2.960 1.00 1.05 C ATOM 1071 OH TYR A 693 6.983 -3.262 4.112 1.00 1.33 O ATOM 0 H TYR A 693 6.264 -1.849 -2.571 1.00 0.15 H new ATOM 0 HA TYR A 693 3.983 -2.399 -0.993 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.059 -0.258 -1.143 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.560 0.156 -0.333 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.722 -1.875 1.318 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.764 -1.041 0.260 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.486 -2.987 3.370 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.530 -2.165 2.306 1.00 0.96 H new ATOM 0 HH TYR A 693 6.249 -3.787 4.495 1.00 1.33 H new ATOM 1081 N THR A 694 3.645 -0.134 -3.359 1.00 0.19 N ATOM 1082 CA THR A 694 2.647 0.641 -4.082 1.00 0.22 C ATOM 1083 C THR A 694 1.703 -0.279 -4.846 1.00 0.20 C ATOM 1084 O THR A 694 0.509 0.004 -4.969 1.00 0.21 O ATOM 1085 CB THR A 694 3.283 1.663 -5.047 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.300 1.034 -5.834 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.878 2.833 -4.281 1.00 0.31 C ATOM 0 H THR A 694 4.582 -0.107 -3.761 1.00 0.19 H new ATOM 0 HA THR A 694 2.082 1.201 -3.337 1.00 0.22 H new ATOM 0 HB THR A 694 2.500 2.040 -5.705 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.146 1.037 -5.339 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.320 3.540 -4.983 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.094 3.331 -3.710 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.647 2.469 -3.600 1.00 0.31 H new ATOM 1095 N GLN A 695 2.228 -1.394 -5.343 1.00 0.19 N ATOM 1096 CA GLN A 695 1.386 -2.396 -5.977 1.00 0.20 C ATOM 1097 C GLN A 695 0.518 -3.082 -4.931 1.00 0.17 C ATOM 1098 O GLN A 695 -0.658 -3.359 -5.170 1.00 0.18 O ATOM 1099 CB GLN A 695 2.222 -3.427 -6.740 1.00 0.25 C ATOM 1100 CG GLN A 695 2.733 -2.924 -8.083 1.00 0.85 C ATOM 1101 CD GLN A 695 1.612 -2.481 -9.013 1.00 1.44 C ATOM 1102 OE1 GLN A 695 0.445 -3.100 -8.889 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 1.797 -1.592 -9.843 1.00 2.13 N flip ATOM 0 H GLN A 695 3.222 -1.623 -5.319 1.00 0.19 H new ATOM 0 HA GLN A 695 0.744 -1.893 -6.700 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.072 -3.721 -6.124 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.621 -4.322 -6.901 1.00 0.25 H new ATOM 0 HG2 GLN A 695 3.413 -2.088 -7.918 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.309 -3.713 -8.566 1.00 0.85 H new ATOM 0 HE21 GLN A 695 2.708 -1.138 -9.910 1.00 2.13 H new ATOM 0 HE22 GLN A 695 1.039 -1.309 -10.464 1.00 2.13 H new ATOM 1112 N ALA A 696 1.099 -3.344 -3.767 1.00 0.16 N ATOM 1113 CA ALA A 696 0.348 -3.892 -2.653 1.00 0.16 C ATOM 1114 C ALA A 696 -0.757 -2.936 -2.235 1.00 0.16 C ATOM 1115 O ALA A 696 -1.883 -3.356 -1.979 1.00 0.16 O ATOM 1116 CB ALA A 696 1.261 -4.191 -1.474 1.00 0.18 C ATOM 0 H ALA A 696 2.088 -3.185 -3.573 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.104 -4.829 -2.980 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.673 -4.601 -0.653 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.018 -4.915 -1.775 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.748 -3.272 -1.148 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.450 -1.643 -2.194 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.438 -0.648 -1.827 1.00 0.17 C ATOM 1124 C ALA A 697 -2.495 -0.530 -2.907 1.00 0.16 C ATOM 1125 O ALA A 697 -3.662 -0.274 -2.621 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.773 0.697 -1.597 1.00 0.20 C ATOM 0 H ALA A 697 0.473 -1.266 -2.410 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.918 -0.964 -0.901 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.528 1.434 -1.322 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.042 0.609 -0.793 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.271 1.016 -2.510 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.074 -0.714 -4.151 1.00 0.17 N ATOM 1133 CA GLU A 698 -2.990 -0.749 -5.273 1.00 0.20 C ATOM 1134 C GLU A 698 -3.986 -1.891 -5.089 1.00 0.18 C ATOM 1135 O GLU A 698 -5.200 -1.699 -5.182 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.206 -0.922 -6.575 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.066 -0.934 -7.826 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.262 -1.256 -9.066 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -1.476 -0.397 -9.509 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.414 -2.374 -9.600 1.00 1.40 O ATOM 0 H GLU A 698 -1.095 -0.842 -4.405 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.542 0.190 -5.322 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.478 -0.115 -6.657 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.644 -1.855 -6.526 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.863 -1.668 -7.710 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.544 0.038 -7.946 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.464 -3.072 -4.784 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.296 -4.239 -4.540 1.00 0.18 C ATOM 1149 C ALA A 699 -5.121 -4.065 -3.268 1.00 0.15 C ATOM 1150 O ALA A 699 -6.198 -4.644 -3.126 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.432 -5.486 -4.449 1.00 0.21 C ATOM 0 H ALA A 699 -2.462 -3.246 -4.700 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.987 -4.350 -5.376 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.065 -6.354 -4.266 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.890 -5.622 -5.385 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.720 -5.377 -3.631 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.609 -3.259 -2.350 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.308 -2.975 -1.105 1.00 0.13 C ATOM 1159 C ALA A 700 -6.491 -2.048 -1.351 1.00 0.13 C ATOM 1160 O ALA A 700 -7.606 -2.323 -0.916 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.363 -2.367 -0.084 1.00 0.14 C ATOM 0 H ALA A 700 -3.709 -2.788 -2.444 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.685 -3.917 -0.707 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.906 -2.163 0.839 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.550 -3.064 0.120 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.953 -1.437 -0.477 1.00 0.14 H new ATOM 1167 N MET A 701 -6.245 -0.952 -2.061 1.00 0.15 N ATOM 1168 CA MET A 701 -7.297 0.008 -2.377 1.00 0.20 C ATOM 1169 C MET A 701 -8.310 -0.617 -3.331 1.00 0.23 C ATOM 1170 O MET A 701 -9.499 -0.297 -3.292 1.00 0.28 O ATOM 1171 CB MET A 701 -6.704 1.292 -2.982 1.00 0.27 C ATOM 1172 CG MET A 701 -6.144 1.125 -4.387 1.00 0.44 C ATOM 1173 SD MET A 701 -5.455 2.653 -5.055 1.00 0.74 S ATOM 1174 CE MET A 701 -5.042 2.133 -6.719 1.00 0.76 C ATOM 0 H MET A 701 -5.326 -0.706 -2.429 1.00 0.15 H new ATOM 0 HA MET A 701 -7.807 0.277 -1.452 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.477 2.061 -3.001 1.00 0.27 H new ATOM 0 HB3 MET A 701 -5.910 1.654 -2.328 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.370 0.358 -4.375 1.00 0.44 H new ATOM 0 HG3 MET A 701 -6.935 0.770 -5.048 1.00 0.44 H new ATOM 0 HE1 MET A 701 -3.969 2.238 -6.877 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.329 1.090 -6.856 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.577 2.754 -7.438 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.835 -1.530 -4.174 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.706 -2.254 -5.085 1.00 0.31 C ATOM 1186 C GLU A 702 -9.616 -3.198 -4.298 1.00 0.29 C ATOM 1187 O GLU A 702 -10.735 -3.501 -4.716 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.861 -3.029 -6.099 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.655 -3.636 -7.242 1.00 1.14 C ATOM 1190 CD GLU A 702 -9.481 -2.606 -7.984 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -8.905 -1.621 -8.493 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -10.713 -2.779 -8.068 1.00 2.58 O ATOM 0 H GLU A 702 -6.849 -1.784 -4.242 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.335 -1.547 -5.626 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.106 -2.360 -6.512 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.330 -3.826 -5.578 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.971 -4.119 -7.939 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.313 -4.412 -6.851 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.129 -3.639 -3.145 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.896 -4.513 -2.267 1.00 0.32 C ATOM 1201 C ALA A 703 -10.625 -3.710 -1.193 1.00 0.33 C ATOM 1202 O ALA A 703 -11.038 -4.260 -0.172 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.990 -5.553 -1.626 1.00 0.39 C ATOM 0 H ALA A 703 -8.200 -3.404 -2.795 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.643 -5.026 -2.873 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.580 -6.197 -0.974 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.521 -6.156 -2.404 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.219 -5.052 -1.041 1.00 0.39 H new ATOM 1209 N MET A 704 -10.758 -2.404 -1.429 1.00 0.33 N ATOM 1210 CA MET A 704 -11.501 -1.510 -0.540 1.00 0.44 C ATOM 1211 C MET A 704 -10.915 -1.515 0.871 1.00 0.41 C ATOM 1212 O MET A 704 -11.643 -1.535 1.861 1.00 0.58 O ATOM 1213 CB MET A 704 -12.987 -1.896 -0.499 1.00 0.61 C ATOM 1214 CG MET A 704 -13.678 -1.816 -1.851 1.00 1.01 C ATOM 1215 SD MET A 704 -13.618 -0.162 -2.570 1.00 2.03 S ATOM 1216 CE MET A 704 -14.480 -0.439 -4.114 1.00 2.61 C ATOM 0 H MET A 704 -10.354 -1.937 -2.241 1.00 0.33 H new ATOM 0 HA MET A 704 -11.412 -0.500 -0.940 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.079 -2.912 -0.114 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.504 -1.241 0.202 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.209 -2.522 -2.536 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.718 -2.122 -1.741 1.00 1.01 H new ATOM 0 HE1 MET A 704 -14.527 0.493 -4.677 1.00 2.61 H new ATOM 0 HE2 MET A 704 -13.948 -1.189 -4.698 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.491 -0.790 -3.908 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.592 -1.508 0.950 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.901 -1.503 2.231 1.00 0.34 C ATOM 1228 C LYS A 705 -8.137 -0.195 2.411 1.00 0.31 C ATOM 1229 O LYS A 705 -6.939 -0.123 2.123 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.926 -2.679 2.319 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.564 -4.044 2.123 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.620 -4.335 3.176 1.00 0.70 C ATOM 1233 CE LYS A 705 -10.054 -5.790 3.129 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.518 -6.197 1.779 1.00 1.59 N ATOM 0 H LYS A 705 -8.974 -1.506 0.139 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.645 -1.599 3.022 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.147 -2.545 1.569 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.437 -2.657 3.293 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.016 -4.094 1.133 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.793 -4.813 2.161 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -9.225 -4.102 4.165 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.484 -3.689 3.017 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -9.221 -6.425 3.431 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -10.855 -5.951 3.850 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -11.360 -6.801 1.869 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.757 -5.350 1.224 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -9.763 -6.725 1.297 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.841 0.830 2.885 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.247 2.145 3.065 1.00 0.47 C ATOM 1250 C GLY A 706 -6.983 2.144 3.907 1.00 0.42 C ATOM 1251 O GLY A 706 -5.928 2.567 3.436 1.00 0.40 O ATOM 0 H GLY A 706 -9.824 0.772 3.151 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -8.018 2.566 2.086 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.981 2.803 3.531 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.082 1.665 5.145 1.00 0.44 N ATOM 1256 CA ARG A 707 -5.943 1.681 6.068 1.00 0.47 C ATOM 1257 C ARG A 707 -4.750 0.927 5.490 1.00 0.38 C ATOM 1258 O ARG A 707 -3.609 1.371 5.613 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.341 1.081 7.417 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.210 1.040 8.437 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.700 0.513 9.774 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.628 0.413 10.762 1.00 2.07 N ATOM 1263 CZ ARG A 707 -4.710 0.897 12.000 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -5.771 1.605 12.373 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -3.716 0.701 12.857 1.00 3.90 N ATOM 0 H ARG A 707 -7.935 1.262 5.534 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.648 2.720 6.214 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.168 1.659 7.830 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.709 0.067 7.257 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.404 0.407 8.066 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.796 2.040 8.566 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.482 1.170 10.156 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.151 -0.469 9.631 1.00 1.28 H new ATOM 0 HE ARG A 707 -3.765 -0.056 10.487 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.526 1.779 11.710 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -5.830 1.974 13.322 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -2.889 0.179 12.568 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -3.779 1.072 13.805 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.020 -0.201 4.847 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.966 -1.014 4.255 1.00 0.30 C ATOM 1281 C LEU A 708 -3.249 -0.233 3.163 1.00 0.23 C ATOM 1282 O LEU A 708 -2.022 -0.122 3.173 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.538 -2.316 3.677 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.848 -3.432 4.688 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.587 -3.854 5.419 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.922 -3.004 5.681 1.00 1.02 C ATOM 0 H LEU A 708 -5.961 -0.574 4.722 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.253 -1.268 5.039 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.455 -2.077 3.139 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.831 -2.705 2.944 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.232 -4.286 4.130 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.826 -4.645 6.130 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.855 -4.222 4.700 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.172 -2.999 5.953 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -6.116 -3.817 6.380 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.581 -2.127 6.230 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.839 -2.762 5.143 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.029 0.314 2.238 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.488 1.098 1.137 1.00 0.18 C ATOM 1300 C ALA A 709 -2.704 2.298 1.653 1.00 0.19 C ATOM 1301 O ALA A 709 -1.583 2.550 1.209 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.599 1.544 0.203 1.00 0.21 C ATOM 0 H ALA A 709 -5.045 0.227 2.230 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.801 0.464 0.577 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.175 2.129 -0.614 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.107 0.669 -0.203 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.314 2.155 0.754 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.287 3.017 2.608 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.627 4.177 3.202 1.00 0.29 C ATOM 1310 C ASN A 710 -1.305 3.767 3.839 1.00 0.25 C ATOM 1311 O ASN A 710 -0.272 4.375 3.584 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.526 4.849 4.251 1.00 0.38 C ATOM 1313 CG ASN A 710 -4.690 5.612 3.635 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -4.586 6.136 2.528 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -5.811 5.688 4.347 1.00 1.45 N ATOM 0 H ASN A 710 -4.213 2.818 2.987 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.433 4.895 2.405 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -3.915 4.089 4.929 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -2.926 5.534 4.850 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -6.617 6.192 3.977 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -5.865 5.242 5.263 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.352 2.720 4.658 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.166 2.191 5.321 1.00 0.26 C ATOM 1324 C GLN A 711 0.924 1.822 4.312 1.00 0.22 C ATOM 1325 O GLN A 711 2.058 2.299 4.397 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.559 0.961 6.143 1.00 0.32 C ATOM 1327 CG GLN A 711 0.597 0.293 6.866 1.00 1.24 C ATOM 1328 CD GLN A 711 0.188 -1.000 7.553 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.793 -1.701 6.989 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 0.752 -1.374 8.580 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.211 2.216 4.880 1.00 0.25 H new ATOM 0 HA GLN A 711 0.239 2.963 5.975 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.309 1.255 6.877 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -1.028 0.232 5.482 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.395 0.085 6.153 1.00 1.24 H new ATOM 0 HG3 GLN A 711 1.003 0.981 7.607 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.500 -0.811 8.985 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.472 -2.247 9.027 1.00 1.09 H new ATOM 1339 N TYR A 712 0.582 0.958 3.368 1.00 0.20 N ATOM 1340 CA TYR A 712 1.551 0.510 2.375 1.00 0.20 C ATOM 1341 C TYR A 712 2.069 1.670 1.520 1.00 0.20 C ATOM 1342 O TYR A 712 3.235 1.669 1.126 1.00 0.21 O ATOM 1343 CB TYR A 712 0.976 -0.612 1.509 1.00 0.22 C ATOM 1344 CG TYR A 712 0.613 -1.848 2.305 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.389 -2.261 3.386 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.506 -2.598 1.983 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.052 -3.383 4.118 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.847 -3.723 2.707 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.066 -4.110 3.775 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.407 -5.228 4.503 1.00 0.44 O ATOM 0 H TYR A 712 -0.350 0.555 3.267 1.00 0.20 H new ATOM 0 HA TYR A 712 2.407 0.106 2.916 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.089 -0.246 0.992 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.703 -0.881 0.743 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.268 -1.695 3.656 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.124 -2.297 1.150 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.662 -3.688 4.955 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.721 -4.297 2.438 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.896 -5.855 3.930 1.00 0.44 H new ATOM 1360 N TYR A 713 1.231 2.675 1.256 1.00 0.21 N ATOM 1361 CA TYR A 713 1.707 3.872 0.560 1.00 0.25 C ATOM 1362 C TYR A 713 2.651 4.659 1.464 1.00 0.23 C ATOM 1363 O TYR A 713 3.684 5.157 1.015 1.00 0.25 O ATOM 1364 CB TYR A 713 0.549 4.767 0.096 1.00 0.32 C ATOM 1365 CG TYR A 713 0.167 4.564 -1.354 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.010 4.966 -2.380 1.00 1.81 C ATOM 1367 CD2 TYR A 713 -1.041 3.969 -1.695 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.660 4.783 -3.705 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -1.397 3.782 -3.019 1.00 1.50 C ATOM 1370 CZ TYR A 713 -0.527 4.188 -4.023 1.00 2.20 C ATOM 1371 OH TYR A 713 -0.895 4.010 -5.337 1.00 2.95 O ATOM 0 H TYR A 713 0.242 2.686 1.507 1.00 0.21 H new ATOM 0 HA TYR A 713 2.243 3.545 -0.331 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.322 4.573 0.722 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.825 5.811 0.247 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.955 5.430 -2.140 1.00 1.81 H new ATOM 0 HD2 TYR A 713 -1.714 3.647 -0.914 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.326 5.111 -4.489 1.00 2.50 H new ATOM 0 HE2 TYR A 713 -2.343 3.325 -3.270 1.00 1.50 H new ATOM 0 HH TYR A 713 -1.770 3.569 -5.375 1.00 2.95 H new ATOM 1381 N GLN A 714 2.301 4.732 2.746 1.00 0.24 N ATOM 1382 CA GLN A 714 3.133 5.387 3.748 1.00 0.28 C ATOM 1383 C GLN A 714 4.502 4.732 3.806 1.00 0.23 C ATOM 1384 O GLN A 714 5.534 5.401 3.934 1.00 0.26 O ATOM 1385 CB GLN A 714 2.473 5.297 5.127 1.00 0.36 C ATOM 1386 CG GLN A 714 3.307 5.910 6.235 1.00 0.65 C ATOM 1387 CD GLN A 714 3.399 7.413 6.112 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.459 8.062 5.665 1.00 1.94 O ATOM 1389 NE2 GLN A 714 4.537 7.975 6.484 1.00 1.98 N ATOM 0 H GLN A 714 1.436 4.340 3.117 1.00 0.24 H new ATOM 0 HA GLN A 714 3.245 6.434 3.468 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.505 5.797 5.092 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.282 4.250 5.363 1.00 0.36 H new ATOM 0 HG2 GLN A 714 2.872 5.652 7.201 1.00 0.65 H new ATOM 0 HG3 GLN A 714 4.310 5.483 6.212 1.00 0.65 H new ATOM 0 HE21 GLN A 714 5.294 7.399 6.851 1.00 1.98 H new ATOM 0 HE22 GLN A 714 4.657 8.985 6.404 1.00 1.98 H new ATOM 1398 N LYS A 715 4.517 3.419 3.645 1.00 0.21 N ATOM 1399 CA LYS A 715 5.747 2.674 3.780 1.00 0.22 C ATOM 1400 C LYS A 715 6.499 2.712 2.457 1.00 0.20 C ATOM 1401 O LYS A 715 7.723 2.632 2.426 1.00 0.23 O ATOM 1402 CB LYS A 715 5.473 1.234 4.228 1.00 0.27 C ATOM 1403 CG LYS A 715 6.732 0.392 4.409 1.00 0.61 C ATOM 1404 CD LYS A 715 7.743 1.007 5.380 1.00 0.86 C ATOM 1405 CE LYS A 715 7.336 0.855 6.847 1.00 1.16 C ATOM 1406 NZ LYS A 715 6.235 1.773 7.242 1.00 1.67 N ATOM 0 H LYS A 715 3.696 2.856 3.423 1.00 0.21 H new ATOM 0 HA LYS A 715 6.365 3.133 4.552 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.924 1.255 5.169 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.828 0.752 3.493 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.449 -0.597 4.769 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.210 0.253 3.439 1.00 0.61 H new ATOM 0 HD2 LYS A 715 8.715 0.538 5.228 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.861 2.066 5.150 1.00 0.86 H new ATOM 0 HE2 LYS A 715 7.026 -0.174 7.028 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.203 1.043 7.480 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 6.289 1.960 8.264 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.326 2.668 6.721 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 5.319 1.333 7.018 1.00 1.67 H new ATOM 1420 N ALA A 716 5.756 2.862 1.365 1.00 0.17 N ATOM 1421 CA ALA A 716 6.358 3.075 0.060 1.00 0.18 C ATOM 1422 C ALA A 716 7.093 4.406 0.046 1.00 0.21 C ATOM 1423 O ALA A 716 8.221 4.506 -0.456 1.00 0.25 O ATOM 1424 CB ALA A 716 5.299 3.046 -1.030 1.00 0.21 C ATOM 0 H ALA A 716 4.736 2.839 1.361 1.00 0.17 H new ATOM 0 HA ALA A 716 7.069 2.272 -0.135 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.770 3.207 -2.000 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.799 2.077 -1.026 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.567 3.833 -0.847 1.00 0.21 H new ATOM 1430 N GLU A 717 6.460 5.423 0.629 1.00 0.24 N ATOM 1431 CA GLU A 717 7.078 6.727 0.733 1.00 0.32 C ATOM 1432 C GLU A 717 8.320 6.638 1.598 1.00 0.31 C ATOM 1433 O GLU A 717 9.377 7.116 1.210 1.00 0.33 O ATOM 1434 CB GLU A 717 6.119 7.765 1.314 1.00 0.45 C ATOM 1435 CG GLU A 717 4.949 8.108 0.409 1.00 1.26 C ATOM 1436 CD GLU A 717 4.304 9.425 0.788 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.676 10.462 0.191 1.00 2.16 O ATOM 1438 OE2 GLU A 717 3.445 9.440 1.692 1.00 2.04 O ATOM 0 H GLU A 717 5.525 5.362 1.032 1.00 0.24 H new ATOM 0 HA GLU A 717 7.348 7.048 -0.273 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.733 7.395 2.264 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.676 8.677 1.530 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.292 8.157 -0.624 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.206 7.312 0.461 1.00 1.26 H new ATOM 1445 N GLU A 718 8.191 6.005 2.764 1.00 0.31 N ATOM 1446 CA GLU A 718 9.336 5.812 3.649 1.00 0.36 C ATOM 1447 C GLU A 718 10.440 5.018 2.953 1.00 0.33 C ATOM 1448 O GLU A 718 11.623 5.298 3.138 1.00 0.36 O ATOM 1449 CB GLU A 718 8.920 5.102 4.936 1.00 0.43 C ATOM 1450 CG GLU A 718 8.026 5.934 5.840 1.00 1.06 C ATOM 1451 CD GLU A 718 7.640 5.195 7.103 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.227 5.479 8.165 1.00 1.75 O ATOM 1453 OE2 GLU A 718 6.740 4.328 7.043 1.00 2.20 O ATOM 0 H GLU A 718 7.313 5.621 3.114 1.00 0.31 H new ATOM 0 HA GLU A 718 9.723 6.799 3.903 1.00 0.36 H new ATOM 0 HB2 GLU A 718 8.400 4.179 4.678 1.00 0.43 H new ATOM 0 HB3 GLU A 718 9.816 4.819 5.489 1.00 0.43 H new ATOM 0 HG2 GLU A 718 8.540 6.858 6.105 1.00 1.06 H new ATOM 0 HG3 GLU A 718 7.124 6.215 5.296 1.00 1.06 H new ATOM 1460 N ALA A 719 10.053 4.030 2.152 1.00 0.28 N ATOM 1461 CA ALA A 719 11.016 3.231 1.404 1.00 0.29 C ATOM 1462 C ALA A 719 11.860 4.110 0.491 1.00 0.30 C ATOM 1463 O ALA A 719 13.092 4.087 0.559 1.00 0.37 O ATOM 1464 CB ALA A 719 10.312 2.151 0.597 1.00 0.28 C ATOM 0 H ALA A 719 9.079 3.764 2.005 1.00 0.28 H new ATOM 0 HA ALA A 719 11.678 2.748 2.122 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.051 1.568 0.047 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.760 1.495 1.270 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.620 2.615 -0.106 1.00 0.28 H new ATOM 1470 N TRP A 720 11.196 4.900 -0.345 1.00 0.26 N ATOM 1471 CA TRP A 720 11.904 5.762 -1.288 1.00 0.28 C ATOM 1472 C TRP A 720 12.556 6.960 -0.590 1.00 0.33 C ATOM 1473 O TRP A 720 13.584 7.460 -1.043 1.00 0.36 O ATOM 1474 CB TRP A 720 10.965 6.246 -2.401 1.00 0.29 C ATOM 1475 CG TRP A 720 10.530 5.156 -3.339 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.273 4.085 -3.754 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.260 5.039 -3.997 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.542 3.311 -4.622 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.307 3.876 -4.790 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.087 5.804 -3.995 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.230 3.463 -5.570 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.021 5.392 -4.769 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.099 4.231 -5.548 1.00 0.45 C ATOM 0 H TRP A 720 10.179 4.963 -0.391 1.00 0.26 H new ATOM 0 HA TRP A 720 12.698 5.162 -1.733 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.082 6.698 -1.949 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.466 7.027 -2.973 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.287 3.878 -3.444 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.867 2.454 -5.069 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.018 6.701 -3.398 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.286 2.568 -6.171 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.112 5.975 -4.774 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.248 3.936 -6.144 1.00 0.45 H new