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= 1.03 USER MOD Set 1.2: A 715 LYS NZ :NH3+ -157:sc= 1.35 (180deg=-0.104) USER MOD Single : A 665 TYR OH : rot 150:sc= -0.0661 USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 164:sc= -1.1 (180deg=-1.62) USER MOD Single : A 674 MET CE :methyl -179:sc= -0.526 (180deg=-0.557) USER MOD Single : A 687 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.081) USER MOD Single : A 689 SER OG : rot 59:sc= -1.55! USER MOD Single : A 694 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.0397 F(o=-0.92,f=-0.04) USER MOD Single : A 701 MET CE :methyl -110:sc= -0.03 (180deg=-2.44!) USER MOD Single : A 704 MET CE :methyl -160:sc= -0.127 (180deg=-0.716) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN : amide:sc= -0.709 K(o=-0.71,f=-3.2!) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0137 F(o=-1.2!,f=-0.014) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.418 -8.156 -1.669 1.00 0.30 N ATOM 629 CA TYR A 665 -1.767 -6.996 -1.077 1.00 0.25 C ATOM 630 C TYR A 665 -0.908 -7.375 0.126 1.00 0.22 C ATOM 631 O TYR A 665 0.117 -6.748 0.383 1.00 0.22 O ATOM 632 CB TYR A 665 -2.796 -5.911 -0.714 1.00 0.27 C ATOM 633 CG TYR A 665 -4.014 -6.380 0.056 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.048 -7.057 -0.579 1.00 0.48 C ATOM 635 CD2 TYR A 665 -4.143 -6.112 1.412 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.171 -7.457 0.116 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.264 -6.513 2.115 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.274 -7.184 1.462 1.00 0.64 C ATOM 639 OH TYR A 665 -7.393 -7.583 2.159 1.00 0.81 O ATOM 0 HA TYR A 665 -1.094 -6.582 -1.828 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.293 -5.143 -0.126 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.134 -5.436 -1.635 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -4.971 -7.274 -1.634 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.355 -5.582 1.926 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.966 -7.982 -0.393 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.347 -6.301 3.171 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.150 -7.765 3.091 1.00 0.81 H new ATOM 649 N MET A 666 -1.292 -8.430 0.828 1.00 0.25 N ATOM 650 CA MET A 666 -0.530 -8.878 1.986 1.00 0.28 C ATOM 651 C MET A 666 0.726 -9.618 1.548 1.00 0.25 C ATOM 652 O MET A 666 1.801 -9.425 2.116 1.00 0.25 O ATOM 653 CB MET A 666 -1.388 -9.758 2.897 1.00 0.37 C ATOM 654 CG MET A 666 -2.394 -8.968 3.723 1.00 0.48 C ATOM 655 SD MET A 666 -3.491 -10.024 4.687 1.00 1.17 S ATOM 656 CE MET A 666 -4.511 -8.798 5.504 1.00 1.14 C ATOM 0 H MET A 666 -2.120 -8.989 0.620 1.00 0.25 H new ATOM 0 HA MET A 666 -0.228 -7.998 2.554 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.921 -10.488 2.288 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.737 -10.318 3.568 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.858 -8.298 4.396 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.991 -8.342 3.059 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.242 -9.298 6.139 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.882 -8.150 6.115 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.030 -8.199 4.756 1.00 1.14 H new ATOM 666 N MET A 667 0.599 -10.431 0.507 1.00 0.26 N ATOM 667 CA MET A 667 1.737 -11.176 -0.011 1.00 0.27 C ATOM 668 C MET A 667 2.708 -10.202 -0.671 1.00 0.23 C ATOM 669 O MET A 667 3.922 -10.274 -0.468 1.00 0.23 O ATOM 670 CB MET A 667 1.258 -12.246 -1.006 1.00 0.34 C ATOM 671 CG MET A 667 2.309 -13.293 -1.379 1.00 0.47 C ATOM 672 SD MET A 667 3.565 -12.685 -2.524 1.00 1.20 S ATOM 673 CE MET A 667 2.606 -12.520 -4.027 1.00 1.10 C ATOM 0 H MET A 667 -0.276 -10.590 0.008 1.00 0.26 H new ATOM 0 HA MET A 667 2.251 -11.687 0.803 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.393 -12.755 -0.581 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.921 -11.750 -1.916 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.798 -13.644 -0.470 1.00 0.47 H new ATOM 0 HG3 MET A 667 1.810 -14.153 -1.825 1.00 0.47 H new ATOM 0 HE1 MET A 667 3.149 -11.899 -4.739 1.00 1.10 H new ATOM 0 HE2 MET A 667 2.437 -13.506 -4.461 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.647 -12.055 -3.798 1.00 1.10 H new ATOM 683 N LEU A 668 2.145 -9.265 -1.425 1.00 0.21 N ATOM 684 CA LEU A 668 2.915 -8.216 -2.087 1.00 0.19 C ATOM 685 C LEU A 668 3.624 -7.339 -1.064 1.00 0.17 C ATOM 686 O LEU A 668 4.782 -6.963 -1.255 1.00 0.17 O ATOM 687 CB LEU A 668 2.000 -7.346 -2.963 1.00 0.21 C ATOM 688 CG LEU A 668 1.804 -7.802 -4.418 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.456 -9.278 -4.504 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.710 -6.977 -5.078 1.00 0.80 C ATOM 0 H LEU A 668 1.141 -9.210 -1.595 1.00 0.21 H new ATOM 0 HA LEU A 668 3.662 -8.697 -2.718 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.021 -7.295 -2.487 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.402 -6.333 -2.975 1.00 0.21 H new ATOM 0 HG LEU A 668 2.748 -7.649 -4.942 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.326 -9.561 -5.549 1.00 0.82 H new ATOM 0 HD12 LEU A 668 2.261 -9.868 -4.066 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.531 -9.466 -3.959 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.577 -7.306 -6.109 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.224 -7.108 -4.532 1.00 0.80 H new ATOM 0 HD23 LEU A 668 0.992 -5.924 -5.067 1.00 0.80 H new ATOM 702 N ALA A 669 2.948 -7.038 0.043 1.00 0.18 N ATOM 703 CA ALA A 669 3.530 -6.179 1.061 1.00 0.19 C ATOM 704 C ALA A 669 4.580 -6.934 1.861 1.00 0.20 C ATOM 705 O ALA A 669 5.596 -6.365 2.257 1.00 0.22 O ATOM 706 CB ALA A 669 2.457 -5.633 1.984 1.00 0.23 C ATOM 0 H ALA A 669 2.008 -7.374 0.253 1.00 0.18 H new ATOM 0 HA ALA A 669 4.012 -5.339 0.560 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.916 -4.993 2.737 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.739 -5.053 1.404 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.944 -6.460 2.474 1.00 0.23 H new ATOM 712 N ARG A 670 4.337 -8.221 2.090 1.00 0.22 N ATOM 713 CA ARG A 670 5.299 -9.054 2.791 1.00 0.26 C ATOM 714 C ARG A 670 6.547 -9.221 1.934 1.00 0.23 C ATOM 715 O ARG A 670 7.673 -9.206 2.437 1.00 0.25 O ATOM 716 CB ARG A 670 4.707 -10.424 3.114 1.00 0.33 C ATOM 717 CG ARG A 670 5.546 -11.211 4.105 1.00 0.41 C ATOM 718 CD ARG A 670 5.048 -12.635 4.259 1.00 0.83 C ATOM 719 NE ARG A 670 5.334 -13.446 3.078 1.00 1.62 N ATOM 720 CZ ARG A 670 6.351 -14.306 2.993 1.00 2.33 C ATOM 721 NH1 ARG A 670 7.205 -14.435 4.002 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.521 -15.026 1.892 1.00 3.33 N ATOM 0 H ARG A 670 3.487 -8.704 1.801 1.00 0.22 H new ATOM 0 HA ARG A 670 5.559 -8.566 3.730 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.703 -10.294 3.518 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.608 -10.998 2.193 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.584 -11.223 3.773 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.527 -10.712 5.074 1.00 0.41 H new ATOM 0 HD2 ARG A 670 5.515 -13.090 5.133 1.00 0.83 H new ATOM 0 HD3 ARG A 670 3.973 -12.625 4.441 1.00 0.83 H new ATOM 0 HE ARG A 670 4.719 -13.349 2.270 1.00 1.62 H new ATOM 0 HH11 ARG A 670 7.085 -13.876 4.846 1.00 2.41 H new ATOM 0 HH12 ARG A 670 7.981 -15.094 3.933 1.00 2.41 H new ATOM 0 HH21 ARG A 670 5.874 -14.922 1.110 1.00 3.33 H new ATOM 0 HH22 ARG A 670 7.298 -15.683 1.827 1.00 3.33 H new ATOM 736 N GLU A 671 6.339 -9.349 0.629 1.00 0.22 N ATOM 737 CA GLU A 671 7.443 -9.443 -0.305 1.00 0.23 C ATOM 738 C GLU A 671 8.207 -8.127 -0.305 1.00 0.19 C ATOM 739 O GLU A 671 9.433 -8.105 -0.225 1.00 0.21 O ATOM 740 CB GLU A 671 6.923 -9.779 -1.706 1.00 0.30 C ATOM 741 CG GLU A 671 8.019 -9.978 -2.736 1.00 0.38 C ATOM 742 CD GLU A 671 7.494 -10.544 -4.037 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.210 -9.760 -4.963 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.365 -11.783 -4.143 1.00 1.11 O ATOM 0 H GLU A 671 5.415 -9.390 0.199 1.00 0.22 H new ATOM 0 HA GLU A 671 8.118 -10.243 -0.001 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.320 -10.685 -1.652 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.264 -8.977 -2.041 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.509 -9.024 -2.930 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.777 -10.649 -2.331 1.00 0.38 H new ATOM 751 N ALA A 672 7.464 -7.027 -0.357 1.00 0.17 N ATOM 752 CA ALA A 672 8.048 -5.698 -0.257 1.00 0.18 C ATOM 753 C ALA A 672 8.844 -5.544 1.038 1.00 0.20 C ATOM 754 O ALA A 672 9.917 -4.931 1.055 1.00 0.23 O ATOM 755 CB ALA A 672 6.956 -4.647 -0.339 1.00 0.21 C ATOM 0 H ALA A 672 6.450 -7.032 -0.469 1.00 0.17 H new ATOM 0 HA ALA A 672 8.737 -5.560 -1.090 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.400 -3.654 -0.263 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.433 -4.739 -1.291 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.250 -4.792 0.478 1.00 0.21 H new ATOM 761 N GLU A 673 8.314 -6.110 2.116 1.00 0.22 N ATOM 762 CA GLU A 673 8.985 -6.100 3.408 1.00 0.28 C ATOM 763 C GLU A 673 10.289 -6.886 3.338 1.00 0.28 C ATOM 764 O GLU A 673 11.317 -6.452 3.867 1.00 0.31 O ATOM 765 CB GLU A 673 8.064 -6.684 4.482 1.00 0.34 C ATOM 766 CG GLU A 673 8.722 -6.831 5.842 1.00 0.70 C ATOM 767 CD GLU A 673 7.753 -7.303 6.907 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.359 -6.478 7.760 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.371 -8.493 6.889 1.00 1.76 O ATOM 0 H GLU A 673 7.412 -6.586 2.118 1.00 0.22 H new ATOM 0 HA GLU A 673 9.221 -5.069 3.672 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.186 -6.045 4.581 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.711 -7.661 4.152 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.548 -7.538 5.768 1.00 0.70 H new ATOM 0 HG3 GLU A 673 9.148 -5.873 6.141 1.00 0.70 H new ATOM 776 N MET A 674 10.250 -8.028 2.658 1.00 0.27 N ATOM 777 CA MET A 674 11.443 -8.850 2.482 1.00 0.31 C ATOM 778 C MET A 674 12.425 -8.167 1.538 1.00 0.29 C ATOM 779 O MET A 674 13.625 -8.414 1.593 1.00 0.34 O ATOM 780 CB MET A 674 11.086 -10.243 1.950 1.00 0.36 C ATOM 781 CG MET A 674 10.319 -11.106 2.943 1.00 0.54 C ATOM 782 SD MET A 674 10.127 -12.812 2.383 1.00 0.60 S ATOM 783 CE MET A 674 9.133 -12.589 0.911 1.00 0.79 C ATOM 0 H MET A 674 9.409 -8.404 2.221 1.00 0.27 H new ATOM 0 HA MET A 674 11.912 -8.969 3.459 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.491 -10.133 1.044 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.004 -10.759 1.668 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.839 -11.099 3.901 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.334 -10.670 3.111 1.00 0.54 H new ATOM 0 HE1 MET A 674 8.919 -13.561 0.466 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.197 -12.097 1.175 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.677 -11.974 0.194 1.00 0.79 H new ATOM 793 N LEU A 675 11.911 -7.298 0.678 1.00 0.26 N ATOM 794 CA LEU A 675 12.748 -6.526 -0.231 1.00 0.27 C ATOM 795 C LEU A 675 13.364 -5.331 0.483 1.00 0.30 C ATOM 796 O LEU A 675 14.451 -4.878 0.131 1.00 0.39 O ATOM 797 CB LEU A 675 11.924 -6.034 -1.428 1.00 0.27 C ATOM 798 CG LEU A 675 12.010 -6.884 -2.700 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.409 -6.829 -3.283 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.604 -8.322 -2.429 1.00 0.47 C ATOM 0 H LEU A 675 10.912 -7.109 0.591 1.00 0.26 H new ATOM 0 HA LEU A 675 13.547 -7.177 -0.585 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.879 -5.976 -1.124 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.243 -5.020 -1.671 1.00 0.27 H new ATOM 0 HG LEU A 675 11.312 -6.469 -3.427 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.451 -7.438 -4.186 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.660 -5.797 -3.530 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.123 -7.212 -2.553 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.675 -8.900 -3.350 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.267 -8.752 -1.679 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.578 -8.347 -2.063 1.00 0.47 H new ATOM 812 N PHE A 676 12.659 -4.809 1.477 1.00 0.30 N ATOM 813 CA PHE A 676 13.135 -3.640 2.202 1.00 0.37 C ATOM 814 C PHE A 676 14.157 -4.022 3.268 1.00 0.42 C ATOM 815 O PHE A 676 15.238 -3.442 3.332 1.00 0.46 O ATOM 816 CB PHE A 676 11.962 -2.888 2.845 1.00 0.44 C ATOM 817 CG PHE A 676 12.329 -1.518 3.353 1.00 0.56 C ATOM 818 CD1 PHE A 676 12.147 -1.192 4.688 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.859 -0.561 2.502 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.486 0.060 5.165 1.00 0.78 C ATOM 821 CE2 PHE A 676 13.199 0.693 2.974 1.00 0.82 C ATOM 822 CZ PHE A 676 13.000 1.018 4.276 1.00 0.82 C ATOM 0 H PHE A 676 11.762 -5.173 1.798 1.00 0.30 H new ATOM 0 HA PHE A 676 13.625 -2.985 1.482 1.00 0.37 H new ATOM 0 HB2 PHE A 676 11.159 -2.792 2.114 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.571 -3.480 3.672 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.735 -1.926 5.364 1.00 0.68 H new ATOM 0 HD2 PHE A 676 13.008 -0.798 1.459 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.357 0.299 6.210 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.627 1.421 2.300 1.00 0.82 H new ATOM 0 HZ PHE A 676 13.236 2.011 4.628 1.00 0.82 H new ATOM 944 N ASP A 685 16.273 -3.966 -1.881 1.00 0.36 N ATOM 945 CA ASP A 685 16.147 -2.988 -2.953 1.00 0.32 C ATOM 946 C ASP A 685 14.999 -2.025 -2.661 1.00 0.27 C ATOM 947 O ASP A 685 13.837 -2.358 -2.891 1.00 0.26 O ATOM 948 CB ASP A 685 15.906 -3.699 -4.291 1.00 0.35 C ATOM 949 CG ASP A 685 15.999 -2.761 -5.477 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.110 -2.611 -6.030 1.00 1.09 O ATOM 951 OD2 ASP A 685 14.967 -2.185 -5.871 1.00 1.68 O ATOM 0 HA ASP A 685 17.075 -2.419 -3.015 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.636 -4.500 -4.409 1.00 0.35 H new ATOM 0 HB3 ASP A 685 14.921 -4.165 -4.278 1.00 0.35 H new ATOM 956 N PRO A 686 15.310 -0.822 -2.132 1.00 0.29 N ATOM 957 CA PRO A 686 14.294 0.194 -1.799 1.00 0.29 C ATOM 958 C PRO A 686 13.374 0.529 -2.974 1.00 0.25 C ATOM 959 O PRO A 686 12.194 0.835 -2.782 1.00 0.25 O ATOM 960 CB PRO A 686 15.125 1.422 -1.412 1.00 0.37 C ATOM 961 CG PRO A 686 16.429 0.868 -0.951 1.00 0.42 C ATOM 962 CD PRO A 686 16.674 -0.364 -1.790 1.00 0.37 C ATOM 0 HA PRO A 686 13.626 -0.158 -1.013 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.258 2.093 -2.260 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.638 1.997 -0.624 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.230 1.595 -1.081 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.394 0.618 0.109 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.256 -0.133 -2.682 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.226 -1.124 -1.237 1.00 0.37 H new ATOM 970 N GLN A 687 13.907 0.449 -4.186 1.00 0.25 N ATOM 971 CA GLN A 687 13.137 0.769 -5.380 1.00 0.27 C ATOM 972 C GLN A 687 12.023 -0.255 -5.574 1.00 0.23 C ATOM 973 O GLN A 687 10.839 0.104 -5.662 1.00 0.24 O ATOM 974 CB GLN A 687 14.049 0.804 -6.609 1.00 0.35 C ATOM 975 CG GLN A 687 13.352 1.221 -7.897 1.00 0.65 C ATOM 976 CD GLN A 687 12.736 2.606 -7.812 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.402 3.609 -8.066 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.453 2.672 -7.485 1.00 1.23 N ATOM 0 H GLN A 687 14.870 0.165 -4.368 1.00 0.25 H new ATOM 0 HA GLN A 687 12.689 1.755 -5.255 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.872 1.492 -6.416 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.486 -0.184 -6.750 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.070 1.198 -8.717 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.573 0.496 -8.134 1.00 0.65 H new ATOM 0 HE21 GLN A 687 10.934 1.818 -7.281 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.985 3.577 -7.437 1.00 1.23 H new ATOM 987 N ARG A 688 12.396 -1.530 -5.597 1.00 0.22 N ATOM 988 CA ARG A 688 11.430 -2.597 -5.781 1.00 0.23 C ATOM 989 C ARG A 688 10.536 -2.690 -4.558 1.00 0.18 C ATOM 990 O ARG A 688 9.358 -3.013 -4.667 1.00 0.20 O ATOM 991 CB ARG A 688 12.125 -3.940 -6.011 1.00 0.29 C ATOM 992 CG ARG A 688 11.209 -5.000 -6.607 1.00 0.70 C ATOM 993 CD ARG A 688 11.865 -6.370 -6.617 1.00 0.78 C ATOM 994 NE ARG A 688 13.209 -6.331 -7.192 1.00 1.67 N ATOM 995 CZ ARG A 688 14.169 -7.201 -6.891 1.00 2.16 C ATOM 996 NH1 ARG A 688 13.904 -8.247 -6.118 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.388 -7.039 -7.383 1.00 3.24 N ATOM 0 H ARG A 688 13.360 -1.845 -5.490 1.00 0.22 H new ATOM 0 HA ARG A 688 10.832 -2.367 -6.663 1.00 0.23 H new ATOM 0 HB2 ARG A 688 12.977 -3.791 -6.675 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.520 -4.303 -5.062 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.283 -5.044 -6.034 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.940 -4.718 -7.625 1.00 0.70 H new ATOM 0 HD2 ARG A 688 11.918 -6.754 -5.598 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.247 -7.063 -7.187 1.00 0.78 H new ATOM 0 HE ARG A 688 13.423 -5.593 -7.863 1.00 1.67 H new ATOM 0 HH11 ARG A 688 12.962 -8.386 -5.753 1.00 1.85 H new ATOM 0 HH12 ARG A 688 14.643 -8.912 -5.889 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.591 -6.247 -7.993 1.00 3.24 H new ATOM 0 HH22 ARG A 688 16.124 -7.706 -7.152 1.00 3.24 H new ATOM 1011 N SER A 689 11.109 -2.406 -3.392 1.00 0.16 N ATOM 1012 CA SER A 689 10.349 -2.379 -2.156 1.00 0.17 C ATOM 1013 C SER A 689 9.163 -1.434 -2.287 1.00 0.15 C ATOM 1014 O SER A 689 8.017 -1.833 -2.059 1.00 0.16 O ATOM 1015 CB SER A 689 11.231 -1.953 -0.982 1.00 0.21 C ATOM 1016 OG SER A 689 10.544 -2.101 0.246 1.00 1.11 O ATOM 0 H SER A 689 12.100 -2.191 -3.282 1.00 0.16 H new ATOM 0 HA SER A 689 9.981 -3.387 -1.962 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.141 -2.553 -0.969 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.536 -0.914 -1.110 1.00 0.21 H new ATOM 0 HG SER A 689 10.273 -3.036 0.359 1.00 1.11 H new ATOM 1022 N GLY A 690 9.417 -0.189 -2.694 1.00 0.16 N ATOM 1023 CA GLY A 690 8.341 0.761 -2.838 1.00 0.18 C ATOM 1024 C GLY A 690 7.432 0.409 -3.989 1.00 0.17 C ATOM 1025 O GLY A 690 6.236 0.683 -3.945 1.00 0.19 O ATOM 0 H GLY A 690 10.344 0.169 -2.923 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.762 0.796 -1.915 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.755 1.757 -2.993 1.00 0.18 H new ATOM 1029 N ASP A 691 7.999 -0.208 -5.023 1.00 0.17 N ATOM 1030 CA ASP A 691 7.205 -0.661 -6.162 1.00 0.20 C ATOM 1031 C ASP A 691 6.192 -1.707 -5.710 1.00 0.18 C ATOM 1032 O ASP A 691 5.012 -1.644 -6.057 1.00 0.22 O ATOM 1033 CB ASP A 691 8.102 -1.248 -7.254 1.00 0.26 C ATOM 1034 CG ASP A 691 7.302 -1.765 -8.429 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.819 -0.940 -9.231 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.155 -2.996 -8.560 1.00 1.54 O ATOM 0 H ASP A 691 8.997 -0.405 -5.096 1.00 0.17 H new ATOM 0 HA ASP A 691 6.678 0.200 -6.573 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.800 -0.485 -7.599 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.698 -2.060 -6.836 1.00 0.26 H new ATOM 1041 N LEU A 692 6.658 -2.647 -4.903 1.00 0.16 N ATOM 1042 CA LEU A 692 5.809 -3.706 -4.390 1.00 0.16 C ATOM 1043 C LEU A 692 4.833 -3.161 -3.358 1.00 0.15 C ATOM 1044 O LEU A 692 3.706 -3.627 -3.269 1.00 0.16 O ATOM 1045 CB LEU A 692 6.662 -4.821 -3.786 1.00 0.20 C ATOM 1046 CG LEU A 692 7.479 -5.630 -4.792 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.558 -6.428 -4.080 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.569 -6.558 -5.573 1.00 0.73 C ATOM 0 H LEU A 692 7.627 -2.696 -4.588 1.00 0.16 H new ATOM 0 HA LEU A 692 5.232 -4.118 -5.218 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.344 -4.382 -3.058 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.009 -5.502 -3.241 1.00 0.20 H new ATOM 0 HG LEU A 692 7.960 -4.941 -5.486 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.131 -6.999 -4.811 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.223 -5.747 -3.549 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.095 -7.112 -3.368 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.160 -7.131 -6.288 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.069 -7.241 -4.886 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.823 -5.971 -6.108 1.00 0.73 H new ATOM 1060 N TYR A 693 5.265 -2.169 -2.585 1.00 0.15 N ATOM 1061 CA TYR A 693 4.379 -1.532 -1.614 1.00 0.17 C ATOM 1062 C TYR A 693 3.291 -0.716 -2.305 1.00 0.18 C ATOM 1063 O TYR A 693 2.148 -0.695 -1.856 1.00 0.20 O ATOM 1064 CB TYR A 693 5.157 -0.656 -0.625 1.00 0.21 C ATOM 1065 CG TYR A 693 5.639 -1.416 0.591 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.732 -2.070 1.416 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.987 -1.478 0.920 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.153 -2.765 2.530 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.417 -2.175 2.034 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.495 -2.816 2.834 1.00 1.05 C ATOM 1071 OH TYR A 693 6.915 -3.503 3.948 1.00 1.33 O ATOM 0 H TYR A 693 6.212 -1.791 -2.610 1.00 0.15 H new ATOM 0 HA TYR A 693 3.900 -2.332 -1.050 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.015 -0.217 -1.135 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.522 0.169 -0.302 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.679 -2.033 1.180 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.710 -0.974 0.296 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.434 -3.267 3.161 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.469 -2.217 2.276 1.00 0.96 H new ATOM 0 HH TYR A 693 6.191 -4.081 4.268 1.00 1.33 H new ATOM 1081 N THR A 694 3.635 -0.060 -3.406 1.00 0.19 N ATOM 1082 CA THR A 694 2.648 0.706 -4.155 1.00 0.22 C ATOM 1083 C THR A 694 1.710 -0.231 -4.909 1.00 0.20 C ATOM 1084 O THR A 694 0.506 0.028 -5.015 1.00 0.21 O ATOM 1085 CB THR A 694 3.304 1.704 -5.130 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.395 1.080 -5.816 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.801 2.936 -4.388 1.00 0.31 C ATOM 0 H THR A 694 4.577 -0.042 -3.796 1.00 0.19 H new ATOM 0 HA THR A 694 2.073 1.287 -3.433 1.00 0.22 H new ATOM 0 HB THR A 694 2.553 2.014 -5.856 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.202 1.133 -5.263 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.260 3.626 -5.096 1.00 0.31 H new ATOM 0 HG22 THR A 694 2.962 3.427 -3.895 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.537 2.639 -3.641 1.00 0.31 H new ATOM 1095 N GLN A 695 2.262 -1.338 -5.400 1.00 0.19 N ATOM 1096 CA GLN A 695 1.460 -2.375 -6.027 1.00 0.20 C ATOM 1097 C GLN A 695 0.539 -2.999 -4.980 1.00 0.17 C ATOM 1098 O GLN A 695 -0.643 -3.249 -5.235 1.00 0.18 O ATOM 1099 CB GLN A 695 2.378 -3.437 -6.646 1.00 0.25 C ATOM 1100 CG GLN A 695 1.648 -4.548 -7.387 1.00 0.85 C ATOM 1101 CD GLN A 695 0.892 -4.066 -8.611 1.00 1.44 C ATOM 1102 OE1 GLN A 695 1.400 -3.034 -9.267 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 -0.137 -4.634 -8.972 1.00 2.13 N flip ATOM 0 H GLN A 695 3.262 -1.536 -5.374 1.00 0.19 H new ATOM 0 HA GLN A 695 0.851 -1.944 -6.821 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.065 -2.947 -7.336 1.00 0.25 H new ATOM 0 HB3 GLN A 695 2.983 -3.881 -5.856 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.370 -5.306 -7.691 1.00 0.85 H new ATOM 0 HG3 GLN A 695 0.948 -5.030 -6.704 1.00 0.85 H new ATOM 0 HE21 GLN A 695 -0.496 -5.426 -8.439 1.00 2.13 H new ATOM 0 HE22 GLN A 695 -0.631 -4.313 -9.804 1.00 2.13 H new ATOM 1112 N ALA A 696 1.088 -3.220 -3.789 1.00 0.16 N ATOM 1113 CA ALA A 696 0.319 -3.739 -2.673 1.00 0.16 C ATOM 1114 C ALA A 696 -0.774 -2.763 -2.270 1.00 0.16 C ATOM 1115 O ALA A 696 -1.893 -3.175 -1.979 1.00 0.16 O ATOM 1116 CB ALA A 696 1.218 -4.041 -1.485 1.00 0.18 C ATOM 0 H ALA A 696 2.070 -3.045 -3.576 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.148 -4.670 -2.996 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.616 -4.428 -0.663 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.962 -4.784 -1.772 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.721 -3.127 -1.168 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.464 -1.468 -2.274 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.453 -0.459 -1.930 1.00 0.17 C ATOM 1124 C ALA A 697 -2.541 -0.414 -2.984 1.00 0.16 C ATOM 1125 O ALA A 697 -3.713 -0.203 -2.673 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.804 0.910 -1.787 1.00 0.20 C ATOM 0 H ALA A 697 0.457 -1.099 -2.510 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.897 -0.728 -0.972 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.564 1.648 -1.530 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.051 0.875 -1.000 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.332 1.189 -2.729 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.148 -0.625 -4.235 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.102 -0.697 -5.323 1.00 0.20 C ATOM 1134 C GLU A 698 -4.053 -1.869 -5.100 1.00 0.18 C ATOM 1135 O GLU A 698 -5.274 -1.715 -5.177 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.375 -0.845 -6.662 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.306 -0.913 -7.861 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.562 -1.127 -9.158 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.353 -2.295 -9.538 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.190 -0.127 -9.810 1.00 1.40 O ATOM 0 H GLU A 698 -1.175 -0.748 -4.516 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.680 0.227 -5.348 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.694 -0.004 -6.790 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.765 -1.748 -6.636 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.020 -1.724 -7.717 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.881 0.011 -7.924 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.491 -3.031 -4.780 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.295 -4.218 -4.518 1.00 0.18 C ATOM 1149 C ALA A 699 -5.113 -4.050 -3.239 1.00 0.15 C ATOM 1150 O ALA A 699 -6.181 -4.642 -3.087 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.403 -5.446 -4.423 1.00 0.21 C ATOM 0 H ALA A 699 -2.485 -3.175 -4.696 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.989 -4.353 -5.347 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.015 -6.326 -4.227 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.866 -5.579 -5.362 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.687 -5.314 -3.612 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.608 -3.232 -2.325 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.301 -2.948 -1.076 1.00 0.13 C ATOM 1159 C ALA A 700 -6.512 -2.060 -1.322 1.00 0.13 C ATOM 1160 O ALA A 700 -7.614 -2.362 -0.871 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.363 -2.297 -0.074 1.00 0.14 C ATOM 0 H ALA A 700 -3.715 -2.751 -2.427 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.646 -3.894 -0.659 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.903 -2.094 0.851 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.529 -2.967 0.132 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.984 -1.362 -0.485 1.00 0.14 H new ATOM 1167 N MET A 701 -6.310 -0.972 -2.057 1.00 0.15 N ATOM 1168 CA MET A 701 -7.401 -0.057 -2.369 1.00 0.20 C ATOM 1169 C MET A 701 -8.396 -0.734 -3.310 1.00 0.23 C ATOM 1170 O MET A 701 -9.589 -0.435 -3.292 1.00 0.28 O ATOM 1171 CB MET A 701 -6.867 1.247 -2.985 1.00 0.27 C ATOM 1172 CG MET A 701 -6.314 1.099 -4.396 1.00 0.44 C ATOM 1173 SD MET A 701 -5.690 2.654 -5.069 1.00 0.74 S ATOM 1174 CE MET A 701 -5.269 2.158 -6.737 1.00 0.76 C ATOM 0 H MET A 701 -5.406 -0.703 -2.446 1.00 0.15 H new ATOM 0 HA MET A 701 -7.914 0.200 -1.442 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.671 1.983 -2.999 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.082 1.644 -2.341 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.511 0.362 -4.391 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.097 0.713 -5.050 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.185 2.154 -6.853 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.658 1.158 -6.928 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.707 2.860 -7.447 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.892 -1.667 -4.114 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.734 -2.467 -4.992 1.00 0.31 C ATOM 1186 C GLU A 702 -9.659 -3.360 -4.166 1.00 0.29 C ATOM 1187 O GLU A 702 -10.844 -3.504 -4.468 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.850 -3.321 -5.908 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.613 -4.194 -6.892 1.00 1.14 C ATOM 1190 CD GLU A 702 -9.413 -3.387 -7.890 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -8.802 -2.702 -8.735 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -10.658 -3.440 -7.843 1.00 2.58 O ATOM 0 H GLU A 702 -6.898 -1.887 -4.174 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.348 -1.805 -5.602 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.186 -2.662 -6.467 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.219 -3.960 -5.290 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.909 -4.831 -7.427 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.285 -4.853 -6.342 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.110 -3.924 -3.095 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.842 -4.865 -2.255 1.00 0.32 C ATOM 1201 C ALA A 703 -10.583 -4.159 -1.121 1.00 0.33 C ATOM 1202 O ALA A 703 -10.967 -4.792 -0.137 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.895 -5.915 -1.692 1.00 0.39 C ATOM 0 H ALA A 703 -8.154 -3.744 -2.787 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.589 -5.353 -2.882 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.454 -6.611 -1.067 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.426 -6.459 -2.512 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.125 -5.427 -1.094 1.00 0.39 H new ATOM 1209 N MET A 704 -10.768 -2.846 -1.269 1.00 0.33 N ATOM 1210 CA MET A 704 -11.519 -2.040 -0.305 1.00 0.44 C ATOM 1211 C MET A 704 -10.833 -2.051 1.063 1.00 0.41 C ATOM 1212 O MET A 704 -11.453 -2.320 2.087 1.00 0.58 O ATOM 1213 CB MET A 704 -12.970 -2.543 -0.191 1.00 0.61 C ATOM 1214 CG MET A 704 -13.875 -1.653 0.652 1.00 1.01 C ATOM 1215 SD MET A 704 -15.548 -2.306 0.806 1.00 2.03 S ATOM 1216 CE MET A 704 -16.061 -2.321 -0.908 1.00 2.61 C ATOM 0 H MET A 704 -10.403 -2.313 -2.058 1.00 0.33 H new ATOM 0 HA MET A 704 -11.541 -1.011 -0.665 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.393 -2.628 -1.192 1.00 0.61 H new ATOM 0 HB3 MET A 704 -12.963 -3.545 0.238 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.441 -1.539 1.646 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.917 -0.659 0.206 1.00 1.01 H new ATOM 0 HE1 MET A 704 -17.149 -2.352 -0.962 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.698 -1.421 -1.404 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.648 -3.200 -1.404 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.537 -1.782 1.069 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.785 -1.689 2.311 1.00 0.34 C ATOM 1228 C LYS A 705 -8.070 -0.342 2.391 1.00 0.31 C ATOM 1229 O LYS A 705 -6.899 -0.225 2.019 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.768 -2.829 2.411 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.382 -4.218 2.355 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.349 -4.449 3.506 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.866 -5.877 3.519 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.925 -6.078 4.540 1.00 1.59 N ATOM 0 H LYS A 705 -8.983 -1.624 0.227 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.482 -1.772 3.145 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.047 -2.730 1.600 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.214 -2.726 3.344 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -8.905 -4.347 1.408 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.591 -4.968 2.387 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.850 -4.233 4.451 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.188 -3.758 3.423 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.260 -6.128 2.534 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -9.039 -6.560 3.715 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -11.249 -7.066 4.514 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.543 -5.863 5.483 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -11.726 -5.446 4.339 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.787 0.669 2.870 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.249 2.018 2.923 1.00 0.47 C ATOM 1250 C GLY A 706 -7.003 2.134 3.783 1.00 0.42 C ATOM 1251 O GLY A 706 -5.978 2.646 3.325 1.00 0.40 O ATOM 0 H GLY A 706 -9.739 0.578 3.225 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -8.016 2.349 1.911 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.013 2.692 3.310 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.077 1.652 5.022 1.00 0.44 N ATOM 1256 CA ARG A 707 -5.951 1.752 5.947 1.00 0.47 C ATOM 1257 C ARG A 707 -4.738 0.996 5.417 1.00 0.38 C ATOM 1258 O ARG A 707 -3.606 1.458 5.549 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.323 1.215 7.330 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.173 1.266 8.324 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.543 0.613 9.642 1.00 1.28 C ATOM 1262 NE ARG A 707 -5.981 -0.769 9.459 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.275 -1.837 9.817 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -4.059 -1.699 10.337 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -5.788 -3.046 9.642 1.00 3.90 N ATOM 0 H ARG A 707 -7.901 1.190 5.407 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.699 2.809 6.036 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.160 1.792 7.723 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.664 0.184 7.232 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.303 0.764 7.900 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.889 2.304 8.499 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -4.684 0.636 10.313 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.337 1.186 10.121 1.00 1.28 H new ATOM 0 HE ARG A 707 -6.892 -0.925 9.027 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -3.661 -0.768 10.464 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -3.524 -2.524 10.609 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -6.718 -3.152 9.235 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -5.253 -3.871 9.914 1.00 3.90 H new ATOM 1279 N LEU A 708 -4.980 -0.161 4.812 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.901 -0.965 4.255 1.00 0.30 C ATOM 1281 C LEU A 708 -3.214 -0.210 3.125 1.00 0.23 C ATOM 1282 O LEU A 708 -1.987 -0.099 3.099 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.419 -2.314 3.742 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.655 -3.405 4.801 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.363 -3.738 5.527 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.734 -2.995 5.795 1.00 1.02 C ATOM 0 H LEU A 708 -5.911 -0.562 4.695 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.182 -1.158 5.051 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.357 -2.141 3.215 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.708 -2.697 3.010 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.003 -4.298 4.281 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.553 -4.511 6.271 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.625 -4.098 4.810 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -2.983 -2.844 6.022 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.874 -3.789 6.528 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.431 -2.080 6.304 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.670 -2.822 5.265 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.018 0.318 2.207 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.505 1.093 1.086 1.00 0.18 C ATOM 1300 C ALA A 709 -2.714 2.297 1.579 1.00 0.19 C ATOM 1301 O ALA A 709 -1.588 2.535 1.134 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.644 1.533 0.178 1.00 0.21 C ATOM 0 H ALA A 709 -5.033 0.221 2.220 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.831 0.458 0.510 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.243 2.111 -0.655 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.163 0.655 -0.206 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.343 2.149 0.744 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.300 3.034 2.516 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.648 4.196 3.111 1.00 0.29 C ATOM 1310 C ASN A 710 -1.314 3.794 3.735 1.00 0.25 C ATOM 1311 O ASN A 710 -0.280 4.380 3.424 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.578 4.828 4.158 1.00 0.38 C ATOM 1313 CG ASN A 710 -3.029 6.098 4.798 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -1.826 6.253 5.005 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -3.924 7.021 5.116 1.00 1.45 N ATOM 0 H ASN A 710 -4.233 2.846 2.883 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.445 4.934 2.335 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.534 5.056 3.687 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.775 4.096 4.941 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -3.624 7.895 5.547 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -4.913 6.858 4.929 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.345 2.778 4.594 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.143 2.286 5.259 1.00 0.26 C ATOM 1324 C GLN A 711 0.937 1.912 4.247 1.00 0.22 C ATOM 1325 O GLN A 711 2.063 2.401 4.316 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.484 1.072 6.127 1.00 0.32 C ATOM 1327 CG GLN A 711 0.724 0.427 6.789 1.00 1.24 C ATOM 1328 CD GLN A 711 0.375 -0.840 7.556 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.651 -1.556 7.109 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 1.027 -1.179 8.542 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.197 2.277 4.847 1.00 0.25 H new ATOM 0 HA GLN A 711 0.244 3.087 5.889 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.189 1.377 6.900 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.989 0.328 5.511 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.466 0.191 6.027 1.00 1.24 H new ATOM 0 HG3 GLN A 711 1.184 1.143 7.471 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.809 -0.605 8.858 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.786 -2.034 9.044 1.00 1.09 H new ATOM 1339 N TYR A 712 0.591 1.036 3.315 1.00 0.20 N ATOM 1340 CA TYR A 712 1.553 0.571 2.322 1.00 0.20 C ATOM 1341 C TYR A 712 2.060 1.708 1.438 1.00 0.20 C ATOM 1342 O TYR A 712 3.223 1.699 1.026 1.00 0.21 O ATOM 1343 CB TYR A 712 0.970 -0.572 1.488 1.00 0.22 C ATOM 1344 CG TYR A 712 0.650 -1.797 2.319 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.342 -2.066 3.497 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.345 -2.679 1.932 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.047 -3.175 4.260 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.645 -3.795 2.691 1.00 0.38 C ATOM 1349 CZ TYR A 712 0.054 -4.037 3.855 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.240 -5.143 4.618 1.00 0.44 O ATOM 0 H TYR A 712 -0.342 0.634 3.224 1.00 0.20 H new ATOM 0 HA TYR A 712 2.417 0.185 2.863 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.063 -0.228 0.991 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.679 -0.844 0.706 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.124 -1.394 3.818 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.896 -2.492 1.022 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.593 -3.367 5.172 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.423 -4.474 2.374 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.965 -5.648 4.195 1.00 0.44 H new ATOM 1360 N TYR A 713 1.226 2.709 1.174 1.00 0.21 N ATOM 1361 CA TYR A 713 1.686 3.867 0.418 1.00 0.25 C ATOM 1362 C TYR A 713 2.610 4.718 1.286 1.00 0.23 C ATOM 1363 O TYR A 713 3.616 5.248 0.811 1.00 0.25 O ATOM 1364 CB TYR A 713 0.516 4.715 -0.102 1.00 0.32 C ATOM 1365 CG TYR A 713 0.972 5.921 -0.891 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.915 7.200 -0.346 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.485 5.777 -2.173 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.356 8.297 -1.060 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.924 6.871 -2.894 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.858 8.128 -2.333 1.00 2.20 C ATOM 1371 OH TYR A 713 2.306 9.220 -3.041 1.00 2.95 O ATOM 0 H TYR A 713 0.249 2.743 1.465 1.00 0.21 H new ATOM 0 HA TYR A 713 2.234 3.502 -0.450 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.124 4.096 -0.731 1.00 0.32 H new ATOM 0 HB3 TYR A 713 -0.090 5.046 0.741 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.520 7.337 0.650 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.542 4.793 -2.614 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.308 9.283 -0.623 1.00 2.50 H new ATOM 0 HE2 TYR A 713 2.317 6.742 -3.892 1.00 1.50 H new ATOM 0 HH TYR A 713 2.629 8.930 -3.920 1.00 2.95 H new ATOM 1381 N GLN A 714 2.275 4.819 2.568 1.00 0.24 N ATOM 1382 CA GLN A 714 3.094 5.539 3.535 1.00 0.28 C ATOM 1383 C GLN A 714 4.423 4.820 3.724 1.00 0.23 C ATOM 1384 O GLN A 714 5.457 5.433 4.014 1.00 0.26 O ATOM 1385 CB GLN A 714 2.362 5.627 4.874 1.00 0.36 C ATOM 1386 CG GLN A 714 3.046 6.525 5.886 1.00 0.65 C ATOM 1387 CD GLN A 714 2.435 6.409 7.267 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.893 5.623 8.098 1.00 1.94 O ATOM 1389 NE2 GLN A 714 1.379 7.165 7.511 1.00 1.98 N ATOM 0 H GLN A 714 1.431 4.405 2.964 1.00 0.24 H new ATOM 0 HA GLN A 714 3.280 6.546 3.162 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.350 5.994 4.701 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.270 4.625 5.294 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.104 6.270 5.937 1.00 0.65 H new ATOM 0 HG3 GLN A 714 2.984 7.560 5.550 1.00 0.65 H new ATOM 0 HE21 GLN A 714 1.032 7.803 6.795 1.00 1.98 H new ATOM 0 HE22 GLN A 714 0.911 7.111 8.416 1.00 1.98 H new ATOM 1398 N LYS A 715 4.392 3.516 3.504 1.00 0.21 N ATOM 1399 CA LYS A 715 5.570 2.692 3.672 1.00 0.22 C ATOM 1400 C LYS A 715 6.411 2.762 2.407 1.00 0.20 C ATOM 1401 O LYS A 715 7.633 2.687 2.462 1.00 0.23 O ATOM 1402 CB LYS A 715 5.179 1.244 3.996 1.00 0.27 C ATOM 1403 CG LYS A 715 6.357 0.283 4.104 1.00 0.61 C ATOM 1404 CD LYS A 715 7.304 0.648 5.236 1.00 0.86 C ATOM 1405 CE LYS A 715 8.437 -0.361 5.371 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.944 -1.713 5.753 1.00 1.67 N ATOM 0 H LYS A 715 3.559 3.007 3.208 1.00 0.21 H new ATOM 0 HA LYS A 715 6.157 3.066 4.511 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.628 1.231 4.936 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.500 0.882 3.224 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.983 -0.729 4.259 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.906 0.279 3.162 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.719 1.640 5.057 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.749 0.699 6.173 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.977 -0.427 4.427 1.00 1.16 H new ATOM 0 HE3 LYS A 715 9.147 -0.010 6.120 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.713 -2.248 6.204 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 7.151 -1.618 6.419 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.623 -2.219 4.903 1.00 1.67 H new ATOM 1420 N ALA A 716 5.746 2.916 1.266 1.00 0.17 N ATOM 1421 CA ALA A 716 6.439 3.180 0.015 1.00 0.18 C ATOM 1422 C ALA A 716 7.142 4.528 0.096 1.00 0.21 C ATOM 1423 O ALA A 716 8.325 4.654 -0.242 1.00 0.25 O ATOM 1424 CB ALA A 716 5.459 3.155 -1.150 1.00 0.21 C ATOM 0 H ALA A 716 4.731 2.862 1.184 1.00 0.17 H new ATOM 0 HA ALA A 716 7.184 2.402 -0.153 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.993 3.354 -2.079 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.986 2.175 -1.207 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.695 3.918 -1.000 1.00 0.21 H new ATOM 1430 N GLU A 717 6.394 5.532 0.553 1.00 0.24 N ATOM 1431 CA GLU A 717 6.939 6.854 0.817 1.00 0.32 C ATOM 1432 C GLU A 717 8.175 6.745 1.704 1.00 0.31 C ATOM 1433 O GLU A 717 9.239 7.252 1.355 1.00 0.33 O ATOM 1434 CB GLU A 717 5.870 7.729 1.488 1.00 0.45 C ATOM 1435 CG GLU A 717 6.320 9.146 1.809 1.00 1.26 C ATOM 1436 CD GLU A 717 6.566 9.985 0.572 1.00 1.60 C ATOM 1437 OE1 GLU A 717 7.708 10.450 0.381 1.00 2.16 O ATOM 1438 OE2 GLU A 717 5.616 10.197 -0.211 1.00 2.04 O ATOM 0 H GLU A 717 5.397 5.448 0.749 1.00 0.24 H new ATOM 0 HA GLU A 717 7.232 7.317 -0.125 1.00 0.32 H new ATOM 0 HB2 GLU A 717 4.998 7.778 0.836 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.551 7.245 2.411 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.563 9.631 2.425 1.00 1.26 H new ATOM 0 HG3 GLU A 717 7.234 9.105 2.401 1.00 1.26 H new ATOM 1445 N GLU A 718 8.034 6.053 2.835 1.00 0.31 N ATOM 1446 CA GLU A 718 9.149 5.849 3.757 1.00 0.36 C ATOM 1447 C GLU A 718 10.301 5.101 3.085 1.00 0.33 C ATOM 1448 O GLU A 718 11.465 5.457 3.264 1.00 0.36 O ATOM 1449 CB GLU A 718 8.684 5.082 4.994 1.00 0.43 C ATOM 1450 CG GLU A 718 9.806 4.767 5.971 1.00 1.06 C ATOM 1451 CD GLU A 718 9.327 3.988 7.174 1.00 1.46 C ATOM 1452 OE1 GLU A 718 9.211 4.583 8.263 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.064 2.777 7.039 1.00 2.20 O ATOM 0 H GLU A 718 7.158 5.625 3.134 1.00 0.31 H new ATOM 0 HA GLU A 718 9.511 6.832 4.058 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.920 5.665 5.507 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.215 4.150 4.679 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.580 4.196 5.458 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.264 5.698 6.305 1.00 1.06 H new ATOM 1460 N ALA A 719 9.974 4.067 2.317 1.00 0.28 N ATOM 1461 CA ALA A 719 10.982 3.266 1.631 1.00 0.29 C ATOM 1462 C ALA A 719 11.852 4.133 0.735 1.00 0.30 C ATOM 1463 O ALA A 719 13.081 4.067 0.797 1.00 0.37 O ATOM 1464 CB ALA A 719 10.329 2.156 0.819 1.00 0.28 C ATOM 0 H ALA A 719 9.014 3.763 2.153 1.00 0.28 H new ATOM 0 HA ALA A 719 11.619 2.812 2.390 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.099 1.572 0.316 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.757 1.508 1.483 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.662 2.593 0.076 1.00 0.28 H new ATOM 1470 N TRP A 720 11.214 4.956 -0.085 1.00 0.26 N ATOM 1471 CA TRP A 720 11.946 5.823 -1.002 1.00 0.28 C ATOM 1472 C TRP A 720 12.552 7.030 -0.284 1.00 0.33 C ATOM 1473 O TRP A 720 13.611 7.520 -0.675 1.00 0.36 O ATOM 1474 CB TRP A 720 11.049 6.284 -2.156 1.00 0.29 C ATOM 1475 CG TRP A 720 10.630 5.169 -3.072 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.343 4.040 -3.374 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.413 5.085 -3.825 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.638 3.258 -4.256 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.454 3.879 -4.552 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.291 5.909 -3.955 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.420 3.481 -5.394 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.265 5.512 -4.792 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.335 4.307 -5.503 1.00 0.45 C ATOM 0 H TRP A 720 10.199 5.043 -0.136 1.00 0.26 H new ATOM 0 HA TRP A 720 12.767 5.234 -1.412 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.159 6.760 -1.746 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.577 7.041 -2.736 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.318 3.799 -2.977 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.946 2.360 -4.630 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.227 6.840 -3.411 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.472 2.552 -5.942 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.394 6.142 -4.900 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.517 4.025 -6.149 1.00 0.45 H new