USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=13 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 693 TYR OH : rot 15:sc= 1.01 USER MOD Set 1.2: A 715 LYS NZ :NH3+ -161:sc= 1.15 (180deg=-0.244) USER MOD Set 2.1: A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 712 TYR OH : rot -137:sc= 0.5 USER MOD Single : A 665 TYR OH : rot 165:sc= -0.0159 USER MOD Single : A 667 MET CE :methyl 172:sc= -0.432 (180deg=-0.566) USER MOD Single : A 674 MET CE :methyl -176:sc= -0.557 (180deg=-0.561) USER MOD Single : A 687 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.098) USER MOD Single : A 689 SER OG : rot 57:sc= -1.31! USER MOD Single : A 694 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 695 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.3) USER MOD Single : A 701 MET CE :methyl -121:sc=-0.00162 (180deg=-1.44!) USER MOD Single : A 704 MET CE :methyl -164:sc= -0.0407 (180deg=-0.35) USER MOD Single : A 705 LYS NZ :NH3+ -163:sc= -0.0648 (180deg=-0.376) USER MOD Single : A 710 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0254 F(o=-1.3!,f=-0.025) 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 ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.459 -8.171 -1.702 1.00 0.30 N ATOM 629 CA TYR A 665 -1.727 -7.062 -1.111 1.00 0.25 C ATOM 630 C TYR A 665 -0.842 -7.514 0.044 1.00 0.22 C ATOM 631 O TYR A 665 0.224 -6.951 0.259 1.00 0.22 O ATOM 632 CB TYR A 665 -2.679 -5.944 -0.666 1.00 0.27 C ATOM 633 CG TYR A 665 -3.910 -6.399 0.084 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.030 -6.864 -0.596 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.963 -6.337 1.466 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.165 -7.256 0.084 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.093 -6.733 2.154 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.190 -7.190 1.457 1.00 0.64 C ATOM 639 OH TYR A 665 -7.314 -7.574 2.140 1.00 0.81 O ATOM 0 HA TYR A 665 -1.072 -6.663 -1.885 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.126 -5.249 -0.034 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -2.997 -5.388 -1.548 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.011 -6.919 -1.674 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.107 -5.973 2.015 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.028 -7.612 -0.459 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.117 -6.685 3.233 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.096 -7.692 3.088 1.00 0.81 H new ATOM 649 N MET A 666 -1.255 -8.548 0.761 1.00 0.25 N ATOM 650 CA MET A 666 -0.453 -9.044 1.871 1.00 0.28 C ATOM 651 C MET A 666 0.787 -9.759 1.358 1.00 0.25 C ATOM 652 O MET A 666 1.859 -9.644 1.945 1.00 0.25 O ATOM 653 CB MET A 666 -1.265 -9.962 2.787 1.00 0.37 C ATOM 654 CG MET A 666 -2.134 -9.202 3.782 1.00 0.48 C ATOM 655 SD MET A 666 -1.178 -8.045 4.784 1.00 1.17 S ATOM 656 CE MET A 666 -2.455 -7.375 5.848 1.00 1.14 C ATOM 0 H MET A 666 -2.126 -9.054 0.599 1.00 0.25 H new ATOM 0 HA MET A 666 -0.139 -8.183 2.462 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.900 -10.604 2.177 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.584 -10.614 3.334 1.00 0.37 H new ATOM 0 HG2 MET A 666 -2.909 -8.657 3.242 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.640 -9.913 4.435 1.00 0.48 H new ATOM 0 HE1 MET A 666 -2.017 -6.643 6.526 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.220 -6.893 5.239 1.00 1.14 H new ATOM 0 HE3 MET A 666 -2.906 -8.181 6.427 1.00 1.14 H new ATOM 666 N MET A 667 0.651 -10.466 0.243 1.00 0.26 N ATOM 667 CA MET A 667 1.789 -11.152 -0.353 1.00 0.27 C ATOM 668 C MET A 667 2.747 -10.130 -0.945 1.00 0.23 C ATOM 669 O MET A 667 3.956 -10.180 -0.715 1.00 0.23 O ATOM 670 CB MET A 667 1.335 -12.128 -1.443 1.00 0.34 C ATOM 671 CG MET A 667 2.487 -12.886 -2.095 1.00 0.47 C ATOM 672 SD MET A 667 1.962 -13.934 -3.468 1.00 1.20 S ATOM 673 CE MET A 667 1.398 -12.706 -4.645 1.00 1.10 C ATOM 0 H MET A 667 -0.228 -10.579 -0.263 1.00 0.26 H new ATOM 0 HA MET A 667 2.294 -11.722 0.427 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.637 -12.845 -1.011 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.792 -11.577 -2.211 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.227 -12.171 -2.455 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.979 -13.503 -1.343 1.00 0.47 H new ATOM 0 HE1 MET A 667 1.177 -13.189 -5.597 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.498 -12.224 -4.264 1.00 1.10 H new ATOM 0 HE3 MET A 667 2.177 -11.957 -4.791 1.00 1.10 H new ATOM 683 N LEU A 668 2.184 -9.185 -1.691 1.00 0.21 N ATOM 684 CA LEU A 668 2.972 -8.135 -2.323 1.00 0.19 C ATOM 685 C LEU A 668 3.657 -7.269 -1.272 1.00 0.17 C ATOM 686 O LEU A 668 4.806 -6.862 -1.447 1.00 0.17 O ATOM 687 CB LEU A 668 2.098 -7.262 -3.234 1.00 0.21 C ATOM 688 CG LEU A 668 1.887 -7.774 -4.667 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.313 -9.181 -4.687 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.975 -6.827 -5.429 1.00 0.80 C ATOM 0 H LEU A 668 1.182 -9.126 -1.872 1.00 0.21 H new ATOM 0 HA LEU A 668 3.735 -8.616 -2.935 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.121 -7.148 -2.764 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.544 -6.269 -3.287 1.00 0.21 H new ATOM 0 HG LEU A 668 2.862 -7.810 -5.152 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.179 -9.505 -5.719 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.998 -9.860 -4.179 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.350 -9.188 -4.177 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.831 -7.198 -6.444 1.00 0.80 H new ATOM 0 HD22 LEU A 668 0.011 -6.766 -4.925 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.428 -5.836 -5.466 1.00 0.80 H new ATOM 702 N ALA A 669 2.973 -7.022 -0.157 1.00 0.18 N ATOM 703 CA ALA A 669 3.529 -6.189 0.895 1.00 0.19 C ATOM 704 C ALA A 669 4.547 -6.971 1.706 1.00 0.20 C ATOM 705 O ALA A 669 5.537 -6.413 2.169 1.00 0.22 O ATOM 706 CB ALA A 669 2.434 -5.653 1.801 1.00 0.23 C ATOM 0 H ALA A 669 2.040 -7.386 0.036 1.00 0.18 H new ATOM 0 HA ALA A 669 4.028 -5.341 0.427 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.877 -5.033 2.580 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.736 -5.055 1.214 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.901 -6.486 2.260 1.00 0.23 H new ATOM 712 N ARG A 670 4.300 -8.268 1.879 1.00 0.22 N ATOM 713 CA ARG A 670 5.252 -9.130 2.561 1.00 0.26 C ATOM 714 C ARG A 670 6.536 -9.220 1.753 1.00 0.23 C ATOM 715 O ARG A 670 7.636 -9.147 2.303 1.00 0.25 O ATOM 716 CB ARG A 670 4.682 -10.531 2.765 1.00 0.33 C ATOM 717 CG ARG A 670 5.619 -11.437 3.541 1.00 0.41 C ATOM 718 CD ARG A 670 5.144 -12.877 3.558 1.00 0.83 C ATOM 719 NE ARG A 670 6.053 -13.718 4.328 1.00 1.62 N ATOM 720 CZ ARG A 670 6.339 -14.985 4.042 1.00 2.33 C ATOM 721 NH1 ARG A 670 5.773 -15.592 3.005 1.00 2.41 N ATOM 722 NH2 ARG A 670 7.201 -15.649 4.798 1.00 3.33 N ATOM 0 H ARG A 670 3.454 -8.739 1.558 1.00 0.22 H new ATOM 0 HA ARG A 670 5.459 -8.696 3.539 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.732 -10.459 3.294 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.472 -10.979 1.793 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.614 -11.390 3.099 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.707 -11.074 4.565 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.143 -12.929 3.987 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.073 -13.252 2.537 1.00 0.83 H new ATOM 0 HE ARG A 670 6.502 -13.305 5.145 1.00 1.62 H new ATOM 0 HH11 ARG A 670 5.110 -15.086 2.417 1.00 2.41 H new ATOM 0 HH12 ARG A 670 6.001 -16.564 2.796 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.641 -15.188 5.594 1.00 3.33 H new ATOM 0 HH22 ARG A 670 7.424 -16.621 4.584 1.00 3.33 H new ATOM 736 N GLU A 671 6.395 -9.361 0.442 1.00 0.22 N ATOM 737 CA GLU A 671 7.548 -9.416 -0.433 1.00 0.23 C ATOM 738 C GLU A 671 8.258 -8.070 -0.419 1.00 0.19 C ATOM 739 O GLU A 671 9.479 -8.006 -0.325 1.00 0.21 O ATOM 740 CB GLU A 671 7.127 -9.810 -1.851 1.00 0.30 C ATOM 741 CG GLU A 671 8.291 -9.952 -2.815 1.00 0.38 C ATOM 742 CD GLU A 671 7.935 -10.752 -4.048 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.406 -10.159 -5.009 1.00 1.89 O ATOM 744 OE2 GLU A 671 8.175 -11.976 -4.067 1.00 1.11 O ATOM 0 H GLU A 671 5.496 -9.439 -0.033 1.00 0.22 H new ATOM 0 HA GLU A 671 8.240 -10.178 -0.074 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.583 -10.754 -1.810 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.436 -9.060 -2.237 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.631 -8.961 -3.116 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.124 -10.433 -2.303 1.00 0.38 H new ATOM 751 N ALA A 672 7.478 -6.997 -0.474 1.00 0.17 N ATOM 752 CA ALA A 672 8.018 -5.649 -0.353 1.00 0.18 C ATOM 753 C ALA A 672 8.766 -5.477 0.969 1.00 0.20 C ATOM 754 O ALA A 672 9.822 -4.844 1.024 1.00 0.23 O ATOM 755 CB ALA A 672 6.901 -4.628 -0.464 1.00 0.21 C ATOM 0 H ALA A 672 6.467 -7.035 -0.602 1.00 0.17 H new ATOM 0 HA ALA A 672 8.726 -5.489 -1.166 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.315 -3.624 -0.372 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.409 -4.731 -1.431 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.175 -4.795 0.332 1.00 0.21 H new ATOM 761 N GLU A 673 8.209 -6.059 2.025 1.00 0.22 N ATOM 762 CA GLU A 673 8.819 -6.029 3.346 1.00 0.28 C ATOM 763 C GLU A 673 10.153 -6.760 3.320 1.00 0.28 C ATOM 764 O GLU A 673 11.158 -6.269 3.838 1.00 0.31 O ATOM 765 CB GLU A 673 7.878 -6.681 4.362 1.00 0.34 C ATOM 766 CG GLU A 673 8.378 -6.636 5.793 1.00 0.70 C ATOM 767 CD GLU A 673 7.422 -7.301 6.760 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.423 -6.663 7.152 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.663 -8.467 7.138 1.00 1.76 O ATOM 0 H GLU A 673 7.323 -6.564 1.988 1.00 0.22 H new ATOM 0 HA GLU A 673 8.994 -4.993 3.638 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.909 -6.185 4.312 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.719 -7.721 4.077 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.349 -7.127 5.851 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.527 -5.598 6.090 1.00 0.70 H new ATOM 776 N MET A 674 10.160 -7.923 2.680 1.00 0.27 N ATOM 777 CA MET A 674 11.372 -8.724 2.566 1.00 0.31 C ATOM 778 C MET A 674 12.357 -8.070 1.605 1.00 0.29 C ATOM 779 O MET A 674 13.549 -8.349 1.641 1.00 0.34 O ATOM 780 CB MET A 674 11.048 -10.149 2.104 1.00 0.36 C ATOM 781 CG MET A 674 10.176 -10.922 3.082 1.00 0.54 C ATOM 782 SD MET A 674 9.979 -12.662 2.640 1.00 0.60 S ATOM 783 CE MET A 674 9.202 -12.535 1.031 1.00 0.79 C ATOM 0 H MET A 674 9.340 -8.332 2.232 1.00 0.27 H new ATOM 0 HA MET A 674 11.831 -8.781 3.553 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.544 -10.103 1.138 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.980 -10.694 1.952 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.612 -10.854 4.079 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.193 -10.453 3.131 1.00 0.54 H new ATOM 0 HE1 MET A 674 8.956 -13.532 0.666 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.290 -11.943 1.113 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.887 -12.052 0.333 1.00 0.79 H new ATOM 793 N LEU A 675 11.853 -7.193 0.746 1.00 0.26 N ATOM 794 CA LEU A 675 12.706 -6.427 -0.153 1.00 0.27 C ATOM 795 C LEU A 675 13.222 -5.170 0.538 1.00 0.30 C ATOM 796 O LEU A 675 14.237 -4.612 0.141 1.00 0.39 O ATOM 797 CB LEU A 675 11.944 -6.039 -1.429 1.00 0.27 C ATOM 798 CG LEU A 675 12.169 -6.937 -2.655 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.615 -6.869 -3.115 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.773 -8.375 -2.365 1.00 0.47 C ATOM 0 H LEU A 675 10.857 -6.995 0.653 1.00 0.26 H new ATOM 0 HA LEU A 675 13.553 -7.056 -0.426 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.878 -6.031 -1.202 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.221 -5.019 -1.696 1.00 0.27 H new ATOM 0 HG LEU A 675 11.532 -6.566 -3.458 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.751 -7.513 -3.984 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.864 -5.842 -3.382 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.269 -7.204 -2.310 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.944 -8.985 -3.252 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.373 -8.758 -1.540 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.718 -8.414 -2.095 1.00 0.47 H new ATOM 812 N PHE A 676 12.518 -4.717 1.565 1.00 0.30 N ATOM 813 CA PHE A 676 12.944 -3.536 2.302 1.00 0.37 C ATOM 814 C PHE A 676 14.013 -3.892 3.332 1.00 0.42 C ATOM 815 O PHE A 676 15.131 -3.373 3.284 1.00 0.46 O ATOM 816 CB PHE A 676 11.749 -2.861 2.989 1.00 0.44 C ATOM 817 CG PHE A 676 12.072 -1.512 3.574 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.819 -1.245 4.912 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.637 -0.515 2.794 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.118 -0.012 5.456 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.938 0.719 3.333 1.00 0.82 C ATOM 822 CZ PHE A 676 12.661 0.984 4.647 1.00 0.82 C ATOM 0 H PHE A 676 11.657 -5.145 1.905 1.00 0.30 H new ATOM 0 HA PHE A 676 13.374 -2.835 1.587 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.941 -2.750 2.266 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.381 -3.513 3.782 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.383 -2.011 5.536 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.844 -0.706 1.751 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.932 0.179 6.503 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.394 1.479 2.716 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.863 1.963 5.056 1.00 0.82 H new ATOM 944 N ASP A 685 16.256 -3.765 -1.324 1.00 0.36 N ATOM 945 CA ASP A 685 16.276 -2.829 -2.441 1.00 0.32 C ATOM 946 C ASP A 685 15.116 -1.841 -2.296 1.00 0.27 C ATOM 947 O ASP A 685 13.967 -2.187 -2.577 1.00 0.26 O ATOM 948 CB ASP A 685 16.154 -3.581 -3.772 1.00 0.35 C ATOM 949 CG ASP A 685 16.214 -2.654 -4.969 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.318 -2.444 -5.506 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.160 -2.139 -5.385 1.00 1.68 O ATOM 0 HA ASP A 685 17.222 -2.288 -2.433 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.955 -4.316 -3.845 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.214 -4.132 -3.790 1.00 0.35 H new ATOM 956 N PRO A 686 15.398 -0.607 -1.828 1.00 0.29 N ATOM 957 CA PRO A 686 14.366 0.421 -1.594 1.00 0.29 C ATOM 958 C PRO A 686 13.469 0.682 -2.807 1.00 0.25 C ATOM 959 O PRO A 686 12.288 0.998 -2.658 1.00 0.25 O ATOM 960 CB PRO A 686 15.175 1.679 -1.266 1.00 0.37 C ATOM 961 CG PRO A 686 16.470 1.173 -0.735 1.00 0.42 C ATOM 962 CD PRO A 686 16.747 -0.120 -1.464 1.00 0.37 C ATOM 0 HA PRO A 686 13.680 0.106 -0.807 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.325 2.295 -2.153 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.661 2.299 -0.531 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.269 1.895 -0.905 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.412 1.009 0.341 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.367 0.041 -2.346 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.274 -0.833 -0.830 1.00 0.37 H new ATOM 970 N GLN A 687 14.023 0.535 -4.005 1.00 0.25 N ATOM 971 CA GLN A 687 13.273 0.818 -5.225 1.00 0.27 C ATOM 972 C GLN A 687 12.174 -0.216 -5.423 1.00 0.23 C ATOM 973 O GLN A 687 10.986 0.120 -5.526 1.00 0.24 O ATOM 974 CB GLN A 687 14.198 0.829 -6.442 1.00 0.35 C ATOM 975 CG GLN A 687 15.290 1.884 -6.384 1.00 0.65 C ATOM 976 CD GLN A 687 14.741 3.295 -6.286 1.00 1.23 C ATOM 977 OE1 GLN A 687 14.462 3.933 -7.297 1.00 2.21 O ATOM 978 NE2 GLN A 687 14.604 3.799 -5.068 1.00 1.23 N ATOM 0 H GLN A 687 14.982 0.224 -4.158 1.00 0.25 H new ATOM 0 HA GLN A 687 12.821 1.805 -5.122 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.661 -0.153 -6.541 1.00 0.35 H new ATOM 0 HB3 GLN A 687 13.599 0.991 -7.338 1.00 0.35 H new ATOM 0 HG2 GLN A 687 15.932 1.689 -5.525 1.00 0.65 H new ATOM 0 HG3 GLN A 687 15.914 1.803 -7.274 1.00 0.65 H new ATOM 0 HE21 GLN A 687 14.847 3.236 -4.253 1.00 1.23 H new ATOM 0 HE22 GLN A 687 14.256 4.750 -4.946 1.00 1.23 H new ATOM 987 N ARG A 688 12.575 -1.480 -5.420 1.00 0.22 N ATOM 988 CA ARG A 688 11.653 -2.579 -5.635 1.00 0.23 C ATOM 989 C ARG A 688 10.699 -2.678 -4.459 1.00 0.18 C ATOM 990 O ARG A 688 9.528 -3.019 -4.621 1.00 0.20 O ATOM 991 CB ARG A 688 12.430 -3.885 -5.790 1.00 0.29 C ATOM 992 CG ARG A 688 11.633 -5.019 -6.411 1.00 0.70 C ATOM 993 CD ARG A 688 12.508 -6.244 -6.607 1.00 0.78 C ATOM 994 NE ARG A 688 13.768 -5.902 -7.273 1.00 1.67 N ATOM 995 CZ ARG A 688 14.882 -6.632 -7.197 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.883 -7.788 -6.544 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.995 -6.201 -7.782 1.00 3.24 N ATOM 0 H ARG A 688 13.542 -1.768 -5.269 1.00 0.22 H new ATOM 0 HA ARG A 688 11.082 -2.399 -6.546 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.312 -3.698 -6.403 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.785 -4.201 -4.809 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.787 -5.269 -5.771 1.00 0.70 H new ATOM 0 HG3 ARG A 688 11.224 -4.701 -7.370 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.718 -6.701 -5.640 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.971 -6.985 -7.199 1.00 0.78 H new ATOM 0 HE ARG A 688 13.795 -5.049 -7.832 1.00 1.67 H new ATOM 0 HH11 ARG A 688 14.029 -8.122 -6.097 1.00 1.85 H new ATOM 0 HH12 ARG A 688 15.738 -8.342 -6.489 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.995 -5.315 -8.287 1.00 3.24 H new ATOM 0 HH22 ARG A 688 16.849 -6.756 -7.726 1.00 3.24 H new ATOM 1011 N SER A 689 11.216 -2.369 -3.275 1.00 0.16 N ATOM 1012 CA SER A 689 10.411 -2.345 -2.071 1.00 0.17 C ATOM 1013 C SER A 689 9.220 -1.416 -2.247 1.00 0.15 C ATOM 1014 O SER A 689 8.073 -1.826 -2.045 1.00 0.16 O ATOM 1015 CB SER A 689 11.248 -1.904 -0.872 1.00 0.21 C ATOM 1016 OG SER A 689 10.507 -2.008 0.329 1.00 1.11 O ATOM 0 H SER A 689 12.197 -2.131 -3.129 1.00 0.16 H new ATOM 0 HA SER A 689 10.044 -3.355 -1.886 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.145 -2.519 -0.804 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.577 -0.874 -1.013 1.00 0.21 H new ATOM 0 HG SER A 689 10.185 -2.927 0.436 1.00 1.11 H new ATOM 1022 N GLY A 690 9.471 -0.175 -2.663 1.00 0.16 N ATOM 1023 CA GLY A 690 8.391 0.769 -2.820 1.00 0.18 C ATOM 1024 C GLY A 690 7.492 0.411 -3.978 1.00 0.17 C ATOM 1025 O GLY A 690 6.285 0.648 -3.932 1.00 0.19 O ATOM 0 H GLY A 690 10.398 0.185 -2.891 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.804 0.804 -1.902 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.801 1.767 -2.974 1.00 0.18 H new ATOM 1029 N ASP A 691 8.076 -0.175 -5.019 1.00 0.17 N ATOM 1030 CA ASP A 691 7.297 -0.597 -6.178 1.00 0.20 C ATOM 1031 C ASP A 691 6.300 -1.679 -5.768 1.00 0.18 C ATOM 1032 O ASP A 691 5.111 -1.605 -6.092 1.00 0.22 O ATOM 1033 CB ASP A 691 8.212 -1.112 -7.291 1.00 0.26 C ATOM 1034 CG ASP A 691 7.444 -1.449 -8.551 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.861 -0.527 -9.158 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.428 -2.632 -8.944 1.00 1.54 O ATOM 0 H ASP A 691 9.076 -0.367 -5.084 1.00 0.17 H new ATOM 0 HA ASP A 691 6.750 0.265 -6.561 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.966 -0.358 -7.518 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.742 -1.998 -6.942 1.00 0.26 H new ATOM 1041 N LEU A 692 6.780 -2.659 -5.015 1.00 0.16 N ATOM 1042 CA LEU A 692 5.926 -3.728 -4.522 1.00 0.16 C ATOM 1043 C LEU A 692 4.930 -3.200 -3.494 1.00 0.15 C ATOM 1044 O LEU A 692 3.784 -3.638 -3.461 1.00 0.16 O ATOM 1045 CB LEU A 692 6.774 -4.846 -3.913 1.00 0.20 C ATOM 1046 CG LEU A 692 7.498 -5.737 -4.918 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.653 -6.462 -4.248 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.525 -6.740 -5.515 1.00 0.73 C ATOM 0 H LEU A 692 7.757 -2.735 -4.733 1.00 0.16 H new ATOM 0 HA LEU A 692 5.364 -4.131 -5.365 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.514 -4.398 -3.250 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.130 -5.472 -3.295 1.00 0.20 H new ATOM 0 HG LEU A 692 7.899 -5.112 -5.716 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.159 -7.093 -4.978 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.358 -5.733 -3.849 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.272 -7.081 -3.436 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.049 -7.373 -6.232 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.108 -7.359 -4.721 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.719 -6.208 -6.021 1.00 0.73 H new ATOM 1060 N TYR A 693 5.362 -2.250 -2.666 1.00 0.15 N ATOM 1061 CA TYR A 693 4.474 -1.654 -1.670 1.00 0.17 C ATOM 1062 C TYR A 693 3.354 -0.864 -2.336 1.00 0.18 C ATOM 1063 O TYR A 693 2.211 -0.890 -1.879 1.00 0.20 O ATOM 1064 CB TYR A 693 5.236 -0.753 -0.690 1.00 0.21 C ATOM 1065 CG TYR A 693 5.710 -1.477 0.551 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.802 -2.134 1.372 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.052 -1.498 0.910 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.217 -2.793 2.512 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.475 -2.157 2.048 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.553 -2.802 2.845 1.00 1.05 C ATOM 1071 OH TYR A 693 6.969 -3.452 3.983 1.00 1.33 O ATOM 0 H TYR A 693 6.312 -1.879 -2.665 1.00 0.15 H new ATOM 0 HA TYR A 693 4.038 -2.477 -1.104 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.097 -0.321 -1.200 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.592 0.075 -0.394 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.753 -2.129 1.114 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.776 -0.991 0.289 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.498 -3.299 3.139 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.522 -2.167 2.312 1.00 0.96 H new ATOM 0 HH TYR A 693 6.255 -4.042 4.303 1.00 1.33 H new ATOM 1081 N THR A 694 3.672 -0.182 -3.426 1.00 0.19 N ATOM 1082 CA THR A 694 2.665 0.588 -4.136 1.00 0.22 C ATOM 1083 C THR A 694 1.714 -0.337 -4.885 1.00 0.20 C ATOM 1084 O THR A 694 0.510 -0.077 -4.956 1.00 0.21 O ATOM 1085 CB THR A 694 3.291 1.614 -5.102 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.383 1.021 -5.808 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.779 2.838 -4.343 1.00 0.31 C ATOM 0 H THR A 694 4.607 -0.146 -3.833 1.00 0.19 H new ATOM 0 HA THR A 694 2.102 1.148 -3.389 1.00 0.22 H new ATOM 0 HB THR A 694 2.526 1.924 -5.814 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.182 1.030 -5.241 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.217 3.549 -5.043 1.00 0.31 H new ATOM 0 HG22 THR A 694 2.940 3.306 -3.828 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.531 2.538 -3.613 1.00 0.31 H new ATOM 1095 N GLN A 695 2.246 -1.439 -5.410 1.00 0.19 N ATOM 1096 CA GLN A 695 1.404 -2.447 -6.038 1.00 0.20 C ATOM 1097 C GLN A 695 0.517 -3.110 -4.987 1.00 0.17 C ATOM 1098 O GLN A 695 -0.670 -3.365 -5.218 1.00 0.18 O ATOM 1099 CB GLN A 695 2.251 -3.500 -6.756 1.00 0.25 C ATOM 1100 CG GLN A 695 2.993 -2.971 -7.975 1.00 0.85 C ATOM 1101 CD GLN A 695 2.073 -2.258 -8.953 1.00 1.44 C ATOM 1102 OE1 GLN A 695 1.492 -2.885 -9.838 1.00 2.09 O ATOM 1103 NE2 GLN A 695 1.945 -0.945 -8.817 1.00 2.13 N ATOM 0 H GLN A 695 3.243 -1.652 -5.412 1.00 0.19 H new ATOM 0 HA GLN A 695 0.775 -1.956 -6.781 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.975 -3.910 -6.052 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.605 -4.322 -7.065 1.00 0.25 H new ATOM 0 HG2 GLN A 695 3.775 -2.285 -7.651 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.487 -3.799 -8.483 1.00 0.85 H new ATOM 0 HE21 GLN A 695 2.442 -0.459 -8.071 1.00 2.13 H new ATOM 0 HE22 GLN A 695 1.349 -0.422 -9.458 1.00 2.13 H new ATOM 1112 N ALA A 696 1.101 -3.376 -3.822 1.00 0.16 N ATOM 1113 CA ALA A 696 0.359 -3.921 -2.701 1.00 0.16 C ATOM 1114 C ALA A 696 -0.752 -2.974 -2.284 1.00 0.16 C ATOM 1115 O ALA A 696 -1.881 -3.398 -2.045 1.00 0.16 O ATOM 1116 CB ALA A 696 1.285 -4.194 -1.525 1.00 0.18 C ATOM 0 H ALA A 696 2.091 -3.220 -3.634 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.087 -4.864 -3.017 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.708 -4.602 -0.695 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.050 -4.911 -1.823 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.761 -3.264 -1.213 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.447 -1.684 -2.229 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.435 -0.696 -1.843 1.00 0.17 C ATOM 1124 C ALA A 697 -2.529 -0.607 -2.892 1.00 0.16 C ATOM 1125 O ALA A 697 -3.695 -0.378 -2.571 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.778 0.657 -1.649 1.00 0.20 C ATOM 0 H ALA A 697 0.474 -1.303 -2.447 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.884 -1.003 -0.898 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.532 1.389 -1.359 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.022 0.586 -0.867 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.307 0.970 -2.581 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.144 -0.801 -4.148 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.102 -0.869 -5.236 1.00 0.20 C ATOM 1134 C GLU A 698 -4.080 -2.016 -4.993 1.00 0.18 C ATOM 1135 O GLU A 698 -5.299 -1.837 -5.055 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.370 -1.067 -6.565 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.296 -1.219 -7.758 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.559 -1.655 -9.005 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.383 -2.874 -9.205 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.152 -0.778 -9.796 1.00 1.40 O ATOM 0 H GLU A 698 -1.172 -0.914 -4.435 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.660 0.066 -5.281 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.710 -0.217 -6.736 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.738 -1.952 -6.493 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.071 -1.949 -7.523 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.798 -0.271 -7.948 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.540 -3.188 -4.676 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.366 -4.357 -4.408 1.00 0.18 C ATOM 1149 C ALA A 699 -5.165 -4.177 -3.115 1.00 0.15 C ATOM 1150 O ALA A 699 -6.233 -4.766 -2.943 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.499 -5.607 -4.339 1.00 0.21 C ATOM 0 H ALA A 699 -2.536 -3.352 -4.599 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.078 -4.472 -5.226 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.127 -6.475 -4.138 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.983 -5.745 -5.289 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.765 -5.497 -3.540 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.642 -3.353 -2.215 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.321 -3.058 -0.961 1.00 0.13 C ATOM 1159 C ALA A 700 -6.519 -2.145 -1.195 1.00 0.13 C ATOM 1160 O ALA A 700 -7.610 -2.396 -0.682 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.363 -2.431 0.038 1.00 0.14 C ATOM 0 H ALA A 700 -3.748 -2.877 -2.332 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.682 -3.999 -0.546 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.893 -2.220 0.967 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.542 -3.120 0.237 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.966 -1.503 -0.372 1.00 0.14 H new ATOM 1167 N MET A 701 -6.320 -1.090 -1.981 1.00 0.15 N ATOM 1168 CA MET A 701 -7.408 -0.174 -2.300 1.00 0.20 C ATOM 1169 C MET A 701 -8.402 -0.843 -3.246 1.00 0.23 C ATOM 1170 O MET A 701 -9.569 -0.461 -3.300 1.00 0.28 O ATOM 1171 CB MET A 701 -6.885 1.140 -2.897 1.00 0.27 C ATOM 1172 CG MET A 701 -6.297 1.012 -4.292 1.00 0.44 C ATOM 1173 SD MET A 701 -5.802 2.604 -4.980 1.00 0.74 S ATOM 1174 CE MET A 701 -5.193 2.100 -6.587 1.00 0.76 C ATOM 0 H MET A 701 -5.424 -0.851 -2.405 1.00 0.15 H new ATOM 0 HA MET A 701 -7.921 0.074 -1.371 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.702 1.861 -2.926 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.124 1.548 -2.232 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.432 0.349 -4.259 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.030 0.547 -4.951 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.149 2.397 -6.690 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.273 1.017 -6.683 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.785 2.579 -7.367 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.932 -1.845 -3.984 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.817 -2.683 -4.790 1.00 0.31 C ATOM 1186 C GLU A 702 -9.825 -3.393 -3.892 1.00 0.29 C ATOM 1187 O GLU A 702 -11.003 -3.517 -4.225 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.006 -3.723 -5.563 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.863 -4.762 -6.268 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.055 -5.933 -6.775 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.580 -5.877 -7.927 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.891 -6.914 -6.023 1.00 2.58 O ATOM 0 H GLU A 702 -6.945 -2.097 -4.041 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.347 -2.045 -5.497 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.387 -3.213 -6.301 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.329 -4.229 -4.874 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.628 -5.123 -5.581 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.381 -4.293 -7.105 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.347 -3.835 -2.737 1.00 0.27 N ATOM 1200 CA ALA A 703 -10.190 -4.523 -1.771 1.00 0.32 C ATOM 1201 C ALA A 703 -10.938 -3.514 -0.909 1.00 0.33 C ATOM 1202 O ALA A 703 -11.560 -3.875 0.089 1.00 0.45 O ATOM 1203 CB ALA A 703 -9.352 -5.454 -0.905 1.00 0.39 C ATOM 0 H ALA A 703 -8.375 -3.728 -2.446 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.922 -5.124 -2.311 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.996 -5.962 -0.187 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.859 -6.193 -1.537 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.599 -4.874 -0.370 1.00 0.39 H new ATOM 1209 N MET A 704 -10.857 -2.244 -1.312 1.00 0.33 N ATOM 1210 CA MET A 704 -11.511 -1.138 -0.618 1.00 0.44 C ATOM 1211 C MET A 704 -11.020 -1.023 0.821 1.00 0.41 C ATOM 1212 O MET A 704 -11.761 -0.619 1.718 1.00 0.58 O ATOM 1213 CB MET A 704 -13.036 -1.282 -0.659 1.00 0.61 C ATOM 1214 CG MET A 704 -13.619 -1.228 -2.064 1.00 1.01 C ATOM 1215 SD MET A 704 -13.258 0.323 -2.919 1.00 2.03 S ATOM 1216 CE MET A 704 -14.142 1.497 -1.894 1.00 2.61 C ATOM 0 H MET A 704 -10.331 -1.954 -2.136 1.00 0.33 H new ATOM 0 HA MET A 704 -11.244 -0.220 -1.141 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.315 -2.228 -0.196 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.483 -0.489 -0.059 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.223 -2.059 -2.648 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.699 -1.363 -2.009 1.00 1.01 H new ATOM 0 HE1 MET A 704 -14.256 2.437 -2.433 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.126 1.098 -1.649 1.00 2.61 H new ATOM 0 HE3 MET A 704 -13.582 1.671 -0.975 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.760 -1.375 1.032 1.00 0.30 N ATOM 1227 CA LYS A 705 -9.141 -1.252 2.341 1.00 0.34 C ATOM 1228 C LYS A 705 -8.236 -0.029 2.375 1.00 0.31 C ATOM 1229 O LYS A 705 -7.015 -0.133 2.225 1.00 0.30 O ATOM 1230 CB LYS A 705 -8.363 -2.521 2.695 1.00 0.42 C ATOM 1231 CG LYS A 705 -9.267 -3.717 2.930 1.00 0.65 C ATOM 1232 CD LYS A 705 -8.515 -4.881 3.545 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.439 -6.059 3.819 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.562 -5.683 4.717 1.00 1.59 N ATOM 0 H LYS A 705 -9.145 -1.749 0.309 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.924 -1.124 3.089 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.665 -2.751 1.890 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.768 -2.339 3.590 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -10.088 -3.428 3.586 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -9.709 -4.029 1.984 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -7.714 -5.193 2.875 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -8.045 -4.561 4.475 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -9.837 -6.435 2.877 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -8.869 -6.871 4.271 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -10.995 -6.543 5.110 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.203 -5.091 5.493 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -11.275 -5.152 4.178 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.858 1.130 2.566 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.152 2.397 2.518 1.00 0.47 C ATOM 1250 C GLY A 706 -7.019 2.503 3.517 1.00 0.42 C ATOM 1251 O GLY A 706 -5.950 3.006 3.184 1.00 0.40 O ATOM 0 H GLY A 706 -9.857 1.213 2.756 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.754 2.543 1.514 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.861 3.205 2.700 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.242 2.024 4.736 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.234 2.134 5.789 1.00 0.47 C ATOM 1257 C ARG A 707 -4.968 1.367 5.416 1.00 0.38 C ATOM 1258 O ARG A 707 -3.857 1.894 5.518 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.784 1.617 7.116 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.855 1.850 8.293 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.412 1.221 9.555 1.00 1.28 C ATOM 1262 NE ARG A 707 -5.626 1.559 10.738 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.843 1.038 11.941 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -6.794 0.125 12.109 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -5.113 1.436 12.972 1.00 3.90 N ATOM 0 H ARG A 707 -8.104 1.559 5.020 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.980 3.188 5.899 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.739 2.102 7.317 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.981 0.549 7.026 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.873 1.430 8.075 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.717 2.920 8.446 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -7.441 1.551 9.699 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.438 0.138 9.437 1.00 1.28 H new ATOM 0 HE ARG A 707 -4.867 2.233 10.635 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -7.358 -0.176 11.314 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -6.960 -0.274 13.033 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -4.387 2.140 12.841 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -5.277 1.038 13.897 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.139 0.129 4.963 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.006 -0.697 4.569 1.00 0.30 C ATOM 1281 C LEU A 708 -3.307 -0.091 3.363 1.00 0.23 C ATOM 1282 O LEU A 708 -2.078 -0.008 3.324 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.451 -2.127 4.252 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.904 -2.958 5.456 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -5.175 -4.394 5.042 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -3.863 -2.916 6.564 1.00 1.02 C ATOM 0 H LEU A 708 -6.048 -0.322 4.860 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.308 -0.733 5.406 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.270 -2.083 3.534 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.626 -2.646 3.764 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.829 -2.525 5.837 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -5.496 -4.969 5.911 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -5.959 -4.413 4.285 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -4.265 -4.833 4.633 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -4.206 -3.513 7.409 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -2.921 -3.320 6.193 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -3.715 -1.885 6.885 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.102 0.337 2.390 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.577 0.983 1.199 1.00 0.18 C ATOM 1300 C ALA A 709 -2.757 2.209 1.572 1.00 0.19 C ATOM 1301 O ALA A 709 -1.642 2.393 1.083 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.708 1.356 0.254 1.00 0.21 C ATOM 0 H ALA A 709 -5.118 0.246 2.405 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.921 0.280 0.685 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.297 1.839 -0.633 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.248 0.456 -0.040 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.391 2.041 0.756 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.297 3.025 2.471 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.615 4.235 2.902 1.00 0.29 C ATOM 1310 C ASN A 710 -1.320 3.883 3.620 1.00 0.25 C ATOM 1311 O ASN A 710 -0.285 4.487 3.364 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.505 5.082 3.815 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.880 6.433 4.129 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.113 6.973 3.336 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -3.225 7.007 5.270 1.00 1.45 N ATOM 0 H ASN A 710 -4.203 2.869 2.913 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.385 4.822 2.013 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.473 5.233 3.338 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.688 4.543 4.744 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -2.852 7.925 5.513 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.864 6.532 5.907 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.384 2.894 4.508 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.198 2.424 5.214 1.00 0.26 C ATOM 1324 C GLN A 711 0.889 1.997 4.230 1.00 0.22 C ATOM 1325 O GLN A 711 2.024 2.459 4.303 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.555 1.248 6.126 1.00 0.32 C ATOM 1327 CG GLN A 711 0.632 0.692 6.899 1.00 1.24 C ATOM 1328 CD GLN A 711 0.302 -0.591 7.648 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.589 -1.408 7.093 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 0.860 -0.858 8.712 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.244 2.404 4.755 1.00 0.25 H new ATOM 0 HA GLN A 711 0.182 3.248 5.818 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.321 1.567 6.833 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.990 0.451 5.523 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.453 0.502 6.207 1.00 1.24 H new ATOM 0 HG3 GLN A 711 0.980 1.442 7.609 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.539 -0.208 9.109 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.644 -1.729 9.197 1.00 1.09 H new ATOM 1339 N TYR A 712 0.538 1.101 3.318 1.00 0.20 N ATOM 1340 CA TYR A 712 1.508 0.596 2.354 1.00 0.20 C ATOM 1341 C TYR A 712 2.006 1.693 1.405 1.00 0.20 C ATOM 1342 O TYR A 712 3.163 1.656 0.978 1.00 0.21 O ATOM 1343 CB TYR A 712 0.950 -0.612 1.595 1.00 0.22 C ATOM 1344 CG TYR A 712 0.723 -1.804 2.503 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.710 -2.218 3.392 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.472 -2.509 2.481 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.510 -3.296 4.232 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.679 -3.591 3.318 1.00 0.38 C ATOM 1349 CZ TYR A 712 0.315 -3.979 4.191 1.00 0.36 C ATOM 1350 OH TYR A 712 0.114 -5.053 5.031 1.00 0.44 O ATOM 0 H TYR A 712 -0.400 0.712 3.225 1.00 0.20 H new ATOM 0 HA TYR A 712 2.380 0.258 2.914 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.009 -0.336 1.118 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.641 -0.890 0.799 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.650 -1.687 3.426 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.254 -2.208 1.799 1.00 0.33 H new ATOM 0 HE1 TYR A 712 2.287 -3.602 4.917 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.615 -4.129 3.288 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.323 -5.778 4.537 1.00 0.44 H new ATOM 1360 N TYR A 713 1.172 2.690 1.101 1.00 0.21 N ATOM 1361 CA TYR A 713 1.652 3.854 0.354 1.00 0.25 C ATOM 1362 C TYR A 713 2.622 4.656 1.219 1.00 0.23 C ATOM 1363 O TYR A 713 3.676 5.083 0.755 1.00 0.25 O ATOM 1364 CB TYR A 713 0.501 4.759 -0.117 1.00 0.32 C ATOM 1365 CG TYR A 713 -0.070 4.386 -1.469 1.00 0.73 C ATOM 1366 CD1 TYR A 713 -1.384 3.960 -1.596 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.705 4.464 -2.619 1.00 0.96 C ATOM 1368 CE1 TYR A 713 -1.912 3.620 -2.827 1.00 2.50 C ATOM 1369 CE2 TYR A 713 0.184 4.126 -3.857 1.00 1.50 C ATOM 1370 CZ TYR A 713 -1.125 3.705 -3.954 1.00 2.20 C ATOM 1371 OH TYR A 713 -1.647 3.364 -5.182 1.00 2.95 O ATOM 0 H TYR A 713 0.184 2.717 1.353 1.00 0.21 H new ATOM 0 HA TYR A 713 2.162 3.486 -0.536 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.298 4.726 0.624 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.857 5.789 -0.157 1.00 0.32 H new ATOM 0 HD1 TYR A 713 -2.006 3.893 -0.716 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.731 4.794 -2.547 1.00 0.96 H new ATOM 0 HE1 TYR A 713 -2.937 3.289 -2.905 1.00 2.50 H new ATOM 0 HE2 TYR A 713 0.800 4.192 -4.742 1.00 1.50 H new ATOM 0 HH TYR A 713 -0.962 3.481 -5.873 1.00 2.95 H new ATOM 1381 N GLN A 714 2.259 4.816 2.487 1.00 0.24 N ATOM 1382 CA GLN A 714 3.095 5.491 3.481 1.00 0.28 C ATOM 1383 C GLN A 714 4.420 4.752 3.650 1.00 0.23 C ATOM 1384 O GLN A 714 5.462 5.349 3.948 1.00 0.26 O ATOM 1385 CB GLN A 714 2.350 5.523 4.818 1.00 0.36 C ATOM 1386 CG GLN A 714 3.137 6.109 5.975 1.00 0.65 C ATOM 1387 CD GLN A 714 2.707 5.513 7.304 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.781 5.999 7.947 1.00 1.94 O ATOM 1389 NE2 GLN A 714 3.383 4.456 7.730 1.00 1.98 N ATOM 0 H GLN A 714 1.371 4.480 2.859 1.00 0.24 H new ATOM 0 HA GLN A 714 3.304 6.507 3.146 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.433 6.099 4.693 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.054 4.506 5.077 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.201 5.927 5.821 1.00 0.65 H new ATOM 0 HG3 GLN A 714 2.999 7.190 5.999 1.00 0.65 H new ATOM 0 HE21 GLN A 714 4.147 4.079 7.169 1.00 1.98 H new ATOM 0 HE22 GLN A 714 3.139 4.019 8.619 1.00 1.98 H new ATOM 1398 N LYS A 715 4.377 3.450 3.418 1.00 0.21 N ATOM 1399 CA LYS A 715 5.547 2.615 3.590 1.00 0.22 C ATOM 1400 C LYS A 715 6.407 2.703 2.338 1.00 0.20 C ATOM 1401 O LYS A 715 7.631 2.656 2.412 1.00 0.23 O ATOM 1402 CB LYS A 715 5.146 1.163 3.876 1.00 0.27 C ATOM 1403 CG LYS A 715 6.321 0.243 4.188 1.00 0.61 C ATOM 1404 CD LYS A 715 7.028 0.627 5.480 1.00 0.86 C ATOM 1405 CE LYS A 715 8.122 -0.371 5.838 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.575 -1.727 6.109 1.00 1.67 N ATOM 0 H LYS A 715 3.542 2.951 3.110 1.00 0.21 H new ATOM 0 HA LYS A 715 6.120 2.970 4.447 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.453 1.148 4.717 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.609 0.769 3.013 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.965 -0.785 4.263 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.033 0.275 3.363 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.462 1.622 5.376 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.302 0.679 6.291 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.842 -0.427 5.022 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.663 -0.016 6.716 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.271 -2.281 6.647 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.698 -1.643 6.661 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.373 -2.206 5.208 1.00 1.67 H new ATOM 1420 N ALA A 716 5.752 2.840 1.188 1.00 0.17 N ATOM 1421 CA ALA A 716 6.453 3.098 -0.059 1.00 0.18 C ATOM 1422 C ALA A 716 7.168 4.439 0.020 1.00 0.21 C ATOM 1423 O ALA A 716 8.351 4.551 -0.328 1.00 0.25 O ATOM 1424 CB ALA A 716 5.477 3.081 -1.227 1.00 0.21 C ATOM 0 H ALA A 716 4.738 2.776 1.098 1.00 0.17 H new ATOM 0 HA ALA A 716 7.193 2.314 -0.220 1.00 0.18 H new ATOM 0 HB1 ALA A 716 6.016 3.276 -2.154 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.996 2.105 -1.285 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.719 3.851 -1.079 1.00 0.21 H new ATOM 1430 N GLU A 717 6.436 5.450 0.481 1.00 0.24 N ATOM 1431 CA GLU A 717 7.003 6.760 0.755 1.00 0.32 C ATOM 1432 C GLU A 717 8.239 6.624 1.627 1.00 0.31 C ATOM 1433 O GLU A 717 9.310 7.107 1.271 1.00 0.33 O ATOM 1434 CB GLU A 717 5.967 7.644 1.454 1.00 0.45 C ATOM 1435 CG GLU A 717 4.771 8.000 0.587 1.00 1.26 C ATOM 1436 CD GLU A 717 5.109 9.004 -0.492 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.919 10.219 -0.271 1.00 2.16 O ATOM 1438 OE2 GLU A 717 5.571 8.579 -1.567 1.00 2.04 O ATOM 0 H GLU A 717 5.437 5.381 0.673 1.00 0.24 H new ATOM 0 HA GLU A 717 7.287 7.224 -0.190 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.614 7.133 2.350 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.452 8.564 1.782 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.381 7.094 0.124 1.00 1.26 H new ATOM 0 HG3 GLU A 717 3.978 8.403 1.217 1.00 1.26 H new ATOM 1445 N GLU A 718 8.082 5.937 2.755 1.00 0.31 N ATOM 1446 CA GLU A 718 9.182 5.714 3.685 1.00 0.36 C ATOM 1447 C GLU A 718 10.350 5.001 3.004 1.00 0.33 C ATOM 1448 O GLU A 718 11.507 5.381 3.187 1.00 0.36 O ATOM 1449 CB GLU A 718 8.691 4.902 4.882 1.00 0.43 C ATOM 1450 CG GLU A 718 9.778 4.558 5.888 1.00 1.06 C ATOM 1451 CD GLU A 718 9.215 3.925 7.140 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.895 4.656 8.097 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.109 2.682 7.177 1.00 2.20 O ATOM 0 H GLU A 718 7.197 5.523 3.047 1.00 0.31 H new ATOM 0 HA GLU A 718 9.540 6.684 4.029 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.906 5.462 5.389 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.240 3.978 4.520 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.494 3.877 5.428 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.324 5.463 6.154 1.00 1.06 H new ATOM 1460 N ALA A 719 10.035 3.985 2.209 1.00 0.28 N ATOM 1461 CA ALA A 719 11.053 3.211 1.506 1.00 0.29 C ATOM 1462 C ALA A 719 11.911 4.104 0.617 1.00 0.30 C ATOM 1463 O ALA A 719 13.141 4.042 0.662 1.00 0.37 O ATOM 1464 CB ALA A 719 10.408 2.106 0.680 1.00 0.28 C ATOM 0 H ALA A 719 9.079 3.677 2.034 1.00 0.28 H new ATOM 0 HA ALA A 719 11.702 2.757 2.255 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.182 1.539 0.163 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.848 1.440 1.337 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.731 2.547 -0.052 1.00 0.28 H new ATOM 1470 N TRP A 720 11.262 4.941 -0.182 1.00 0.26 N ATOM 1471 CA TRP A 720 11.990 5.831 -1.084 1.00 0.28 C ATOM 1472 C TRP A 720 12.581 7.028 -0.342 1.00 0.33 C ATOM 1473 O TRP A 720 13.592 7.588 -0.764 1.00 0.36 O ATOM 1474 CB TRP A 720 11.095 6.314 -2.228 1.00 0.29 C ATOM 1475 CG TRP A 720 10.646 5.217 -3.147 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.389 4.157 -3.592 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.356 5.083 -3.755 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.634 3.370 -4.427 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.385 3.918 -4.544 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.176 5.833 -3.707 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.284 3.488 -5.277 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.085 5.405 -4.436 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.145 4.242 -5.211 1.00 0.45 C ATOM 0 H TRP A 720 10.246 5.024 -0.226 1.00 0.26 H new ATOM 0 HA TRP A 720 12.812 5.252 -1.504 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.218 6.806 -1.808 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.634 7.064 -2.808 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.418 3.967 -3.326 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.952 2.516 -4.885 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.120 6.731 -3.110 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.327 2.591 -5.877 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.170 5.978 -4.408 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.273 3.933 -5.769 1.00 0.45 H new