USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=15 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 180:sc= 0 USER MOD Set 1.2: A 666 MET CE :methyl -144:sc= 0 (180deg=-0.0391) USER MOD Single : A 667 MET CE :methyl 132:sc= -0.16 (180deg=-0.716) USER MOD Single : A 674 MET CE :methyl -176:sc= -0.128 (180deg=-0.185) USER MOD Single : A 687 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.56) USER MOD Single : A 689 SER OG : rot 66:sc= 0.925 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -81:sc= 1.05 USER MOD Single : A 695 GLN : amide:sc= 0.0746 X(o=0.075,f=0) USER MOD Single : A 701 MET CE :methyl 141:sc= -0.242 (180deg=-2.63!) USER MOD Single : A 704 MET CE :methyl 158:sc= -0.177 (180deg=-0.924) USER MOD Single : A 705 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.18) USER MOD Single : A 710 ASN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0131 F(o=-1.1,f=-0.013) 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 :FLIP amide:sc=-0.00958 F(o=-1.1,f=-0.0096) USER MOD Single : A 715 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.854) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.562 -8.468 -1.417 1.00 0.30 N ATOM 629 CA TYR A 665 -1.837 -7.306 -0.913 1.00 0.25 C ATOM 630 C TYR A 665 -0.905 -7.700 0.227 1.00 0.22 C ATOM 631 O TYR A 665 0.151 -7.101 0.406 1.00 0.22 O ATOM 632 CB TYR A 665 -2.793 -6.178 -0.481 1.00 0.27 C ATOM 633 CG TYR A 665 -3.759 -6.517 0.640 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.083 -6.844 0.374 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.333 -6.541 1.960 1.00 0.42 C ATOM 636 CE1 TYR A 665 -5.953 -7.179 1.394 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.201 -6.873 2.985 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.549 -7.085 2.692 1.00 0.64 C ATOM 639 OH TYR A 665 -6.370 -7.525 3.715 1.00 0.81 O ATOM 0 HA TYR A 665 -1.230 -6.919 -1.732 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.195 -5.321 -0.172 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.372 -5.866 -1.351 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.438 -6.836 -0.646 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.307 -6.296 2.191 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.953 -7.515 1.163 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -3.840 -6.967 3.999 1.00 0.56 H new ATOM 0 HH TYR A 665 -5.924 -7.384 4.576 1.00 0.81 H new ATOM 649 N MET A 666 -1.278 -8.735 0.970 1.00 0.25 N ATOM 650 CA MET A 666 -0.453 -9.214 2.071 1.00 0.28 C ATOM 651 C MET A 666 0.799 -9.884 1.528 1.00 0.25 C ATOM 652 O MET A 666 1.886 -9.741 2.086 1.00 0.25 O ATOM 653 CB MET A 666 -1.235 -10.193 2.951 1.00 0.37 C ATOM 654 CG MET A 666 -2.365 -9.545 3.737 1.00 0.48 C ATOM 655 SD MET A 666 -3.331 -10.739 4.681 1.00 1.17 S ATOM 656 CE MET A 666 -4.646 -9.691 5.296 1.00 1.14 C ATOM 0 H MET A 666 -2.143 -9.257 0.831 1.00 0.25 H new ATOM 0 HA MET A 666 -0.165 -8.359 2.683 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.648 -10.982 2.322 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.546 -10.669 3.649 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.949 -8.802 4.417 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.023 -9.015 3.049 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.923 -10.007 6.302 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.305 -8.656 5.322 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.512 -9.771 4.639 1.00 1.14 H new ATOM 666 N MET A 667 0.638 -10.588 0.416 1.00 0.26 N ATOM 667 CA MET A 667 1.751 -11.265 -0.234 1.00 0.27 C ATOM 668 C MET A 667 2.696 -10.236 -0.841 1.00 0.23 C ATOM 669 O MET A 667 3.912 -10.299 -0.654 1.00 0.23 O ATOM 670 CB MET A 667 1.230 -12.204 -1.326 1.00 0.34 C ATOM 671 CG MET A 667 2.319 -12.972 -2.062 1.00 0.47 C ATOM 672 SD MET A 667 1.678 -13.886 -3.481 1.00 1.20 S ATOM 673 CE MET A 667 1.182 -12.541 -4.557 1.00 1.10 C ATOM 0 H MET A 667 -0.258 -10.705 -0.057 1.00 0.26 H new ATOM 0 HA MET A 667 2.291 -11.853 0.508 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.539 -12.917 -0.877 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.660 -11.621 -2.049 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.087 -12.275 -2.399 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.799 -13.667 -1.373 1.00 0.47 H new ATOM 0 HE1 MET A 667 1.565 -12.719 -5.562 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.094 -12.482 -4.588 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.585 -11.603 -4.176 1.00 1.10 H new ATOM 683 N LEU A 668 2.116 -9.271 -1.544 1.00 0.21 N ATOM 684 CA LEU A 668 2.892 -8.227 -2.197 1.00 0.19 C ATOM 685 C LEU A 668 3.607 -7.354 -1.169 1.00 0.17 C ATOM 686 O LEU A 668 4.740 -6.921 -1.392 1.00 0.17 O ATOM 687 CB LEU A 668 1.989 -7.368 -3.091 1.00 0.21 C ATOM 688 CG LEU A 668 1.262 -8.120 -4.212 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.426 -7.162 -5.049 1.00 0.82 C ATOM 690 CD2 LEU A 668 2.251 -8.873 -5.092 1.00 0.80 C ATOM 0 H LEU A 668 1.108 -9.191 -1.676 1.00 0.21 H new ATOM 0 HA LEU A 668 3.647 -8.706 -2.820 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.244 -6.879 -2.463 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.594 -6.580 -3.539 1.00 0.21 H new ATOM 0 HG LEU A 668 0.594 -8.847 -3.751 1.00 0.30 H new ATOM 0 HD11 LEU A 668 -0.081 -7.716 -5.839 1.00 0.82 H new ATOM 0 HD12 LEU A 668 -0.314 -6.675 -4.414 1.00 0.82 H new ATOM 0 HD13 LEU A 668 1.074 -6.407 -5.494 1.00 0.82 H new ATOM 0 HD21 LEU A 668 1.711 -9.398 -5.880 1.00 0.80 H new ATOM 0 HD22 LEU A 668 2.950 -8.167 -5.540 1.00 0.80 H new ATOM 0 HD23 LEU A 668 2.801 -9.594 -4.487 1.00 0.80 H new ATOM 702 N ALA A 669 2.966 -7.121 -0.026 1.00 0.18 N ATOM 703 CA ALA A 669 3.567 -6.312 1.023 1.00 0.19 C ATOM 704 C ALA A 669 4.624 -7.114 1.769 1.00 0.20 C ATOM 705 O ALA A 669 5.622 -6.563 2.236 1.00 0.22 O ATOM 706 CB ALA A 669 2.505 -5.804 1.986 1.00 0.23 C ATOM 0 H ALA A 669 2.037 -7.480 0.193 1.00 0.18 H new ATOM 0 HA ALA A 669 4.047 -5.450 0.560 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.976 -5.201 2.762 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.782 -5.195 1.443 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.994 -6.651 2.444 1.00 0.23 H new ATOM 712 N ARG A 670 4.406 -8.422 1.876 1.00 0.22 N ATOM 713 CA ARG A 670 5.385 -9.309 2.485 1.00 0.26 C ATOM 714 C ARG A 670 6.650 -9.332 1.644 1.00 0.23 C ATOM 715 O ARG A 670 7.764 -9.267 2.169 1.00 0.25 O ATOM 716 CB ARG A 670 4.821 -10.723 2.624 1.00 0.33 C ATOM 717 CG ARG A 670 5.789 -11.705 3.262 1.00 0.41 C ATOM 718 CD ARG A 670 5.147 -13.064 3.479 1.00 0.83 C ATOM 719 NE ARG A 670 6.090 -14.029 4.042 1.00 1.62 N ATOM 720 CZ ARG A 670 5.733 -15.188 4.597 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.451 -15.514 4.705 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.663 -16.014 5.061 1.00 3.33 N ATOM 0 H ARG A 670 3.560 -8.888 1.548 1.00 0.22 H new ATOM 0 HA ARG A 670 5.622 -8.936 3.481 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.910 -10.684 3.221 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.540 -11.092 1.637 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.668 -11.815 2.627 1.00 0.41 H new ATOM 0 HG3 ARG A 670 6.134 -11.308 4.217 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.292 -12.959 4.147 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.765 -13.441 2.530 1.00 0.83 H new ATOM 0 HE ARG A 670 7.084 -13.801 4.008 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.732 -14.877 4.362 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.185 -16.402 5.130 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.649 -15.762 4.993 1.00 3.33 H new ATOM 0 HH22 ARG A 670 6.392 -16.901 5.486 1.00 3.33 H new ATOM 736 N GLU A 671 6.471 -9.388 0.330 1.00 0.22 N ATOM 737 CA GLU A 671 7.592 -9.367 -0.586 1.00 0.23 C ATOM 738 C GLU A 671 8.295 -8.019 -0.495 1.00 0.19 C ATOM 739 O GLU A 671 9.518 -7.953 -0.412 1.00 0.21 O ATOM 740 CB GLU A 671 7.120 -9.648 -2.017 1.00 0.30 C ATOM 741 CG GLU A 671 8.221 -9.545 -3.057 1.00 0.38 C ATOM 742 CD GLU A 671 7.850 -10.204 -4.366 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.316 -9.518 -5.259 1.00 1.89 O ATOM 744 OE2 GLU A 671 8.103 -11.418 -4.517 1.00 1.11 O ATOM 0 H GLU A 671 5.558 -9.448 -0.120 1.00 0.22 H new ATOM 0 HA GLU A 671 8.299 -10.150 -0.311 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.688 -10.648 -2.057 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.326 -8.947 -2.272 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.449 -8.494 -3.236 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.128 -10.006 -2.667 1.00 0.38 H new ATOM 751 N ALA A 672 7.506 -6.951 -0.481 1.00 0.17 N ATOM 752 CA ALA A 672 8.034 -5.604 -0.301 1.00 0.18 C ATOM 753 C ALA A 672 8.894 -5.500 0.958 1.00 0.20 C ATOM 754 O ALA A 672 9.973 -4.900 0.938 1.00 0.23 O ATOM 755 CB ALA A 672 6.896 -4.601 -0.239 1.00 0.21 C ATOM 0 H ALA A 672 6.493 -6.993 -0.593 1.00 0.17 H new ATOM 0 HA ALA A 672 8.669 -5.378 -1.158 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.302 -3.598 -0.104 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.326 -4.640 -1.167 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.243 -4.843 0.599 1.00 0.21 H new ATOM 761 N GLU A 673 8.418 -6.093 2.048 1.00 0.22 N ATOM 762 CA GLU A 673 9.148 -6.080 3.310 1.00 0.28 C ATOM 763 C GLU A 673 10.445 -6.879 3.176 1.00 0.28 C ATOM 764 O GLU A 673 11.487 -6.490 3.707 1.00 0.31 O ATOM 765 CB GLU A 673 8.279 -6.658 4.430 1.00 0.34 C ATOM 766 CG GLU A 673 8.861 -6.472 5.823 1.00 0.70 C ATOM 767 CD GLU A 673 8.909 -5.019 6.254 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.891 -4.512 6.772 1.00 1.16 O ATOM 769 OE2 GLU A 673 9.964 -4.376 6.082 1.00 1.76 O ATOM 0 H GLU A 673 7.528 -6.590 2.082 1.00 0.22 H new ATOM 0 HA GLU A 673 9.398 -5.049 3.561 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.296 -6.188 4.392 1.00 0.34 H new ATOM 0 HB3 GLU A 673 8.131 -7.723 4.248 1.00 0.34 H new ATOM 0 HG2 GLU A 673 8.265 -7.038 6.539 1.00 0.70 H new ATOM 0 HG3 GLU A 673 9.869 -6.887 5.848 1.00 0.70 H new ATOM 776 N MET A 674 10.385 -7.980 2.434 1.00 0.27 N ATOM 777 CA MET A 674 11.564 -8.815 2.213 1.00 0.31 C ATOM 778 C MET A 674 12.536 -8.137 1.253 1.00 0.29 C ATOM 779 O MET A 674 13.730 -8.429 1.257 1.00 0.34 O ATOM 780 CB MET A 674 11.181 -10.197 1.674 1.00 0.36 C ATOM 781 CG MET A 674 10.409 -11.056 2.663 1.00 0.54 C ATOM 782 SD MET A 674 10.311 -12.787 2.159 1.00 0.60 S ATOM 783 CE MET A 674 9.444 -12.648 0.597 1.00 0.79 C ATOM 0 H MET A 674 9.537 -8.315 1.977 1.00 0.27 H new ATOM 0 HA MET A 674 12.052 -8.947 3.179 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.581 -10.070 0.773 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.088 -10.725 1.381 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.886 -10.994 3.641 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.401 -10.657 2.774 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.247 -13.644 0.200 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.500 -12.125 0.750 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.057 -12.090 -0.111 1.00 0.79 H new ATOM 793 N LEU A 675 12.024 -7.225 0.440 1.00 0.26 N ATOM 794 CA LEU A 675 12.855 -6.463 -0.487 1.00 0.27 C ATOM 795 C LEU A 675 13.423 -5.235 0.209 1.00 0.30 C ATOM 796 O LEU A 675 14.338 -4.590 -0.291 1.00 0.39 O ATOM 797 CB LEU A 675 12.037 -6.028 -1.714 1.00 0.27 C ATOM 798 CG LEU A 675 12.105 -6.947 -2.941 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.510 -6.977 -3.509 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.641 -8.354 -2.605 1.00 0.47 C ATOM 0 H LEU A 675 11.032 -6.992 0.402 1.00 0.26 H new ATOM 0 HA LEU A 675 13.674 -7.102 -0.818 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.993 -5.936 -1.414 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.371 -5.034 -2.013 1.00 0.27 H new ATOM 0 HG LEU A 675 11.431 -6.542 -3.696 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.537 -7.634 -4.378 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.804 -5.970 -3.806 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.201 -7.348 -2.752 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.701 -8.979 -3.496 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.278 -8.771 -1.825 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.610 -8.323 -2.253 1.00 0.47 H new ATOM 812 N PHE A 676 12.869 -4.922 1.369 1.00 0.30 N ATOM 813 CA PHE A 676 13.258 -3.735 2.111 1.00 0.37 C ATOM 814 C PHE A 676 14.604 -3.928 2.810 1.00 0.42 C ATOM 815 O PHE A 676 15.554 -3.192 2.551 1.00 0.46 O ATOM 816 CB PHE A 676 12.162 -3.385 3.123 1.00 0.44 C ATOM 817 CG PHE A 676 12.390 -2.100 3.866 1.00 0.56 C ATOM 818 CD1 PHE A 676 12.459 -2.085 5.249 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.559 -0.911 3.177 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.689 -0.906 5.928 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.786 0.270 3.852 1.00 0.82 C ATOM 822 CZ PHE A 676 12.768 0.276 5.248 1.00 0.82 C ATOM 0 H PHE A 676 12.143 -5.479 1.820 1.00 0.30 H new ATOM 0 HA PHE A 676 13.377 -2.909 1.410 1.00 0.37 H new ATOM 0 HB2 PHE A 676 11.208 -3.323 2.600 1.00 0.44 H new ATOM 0 HB3 PHE A 676 12.078 -4.198 3.845 1.00 0.44 H new ATOM 0 HD1 PHE A 676 12.332 -3.004 5.801 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.512 -0.908 2.098 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.807 -0.918 7.001 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.976 1.182 3.306 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.816 1.210 5.787 1.00 0.82 H new ATOM 944 N ASP A 685 16.373 -3.785 -1.826 1.00 0.36 N ATOM 945 CA ASP A 685 16.265 -2.699 -2.782 1.00 0.32 C ATOM 946 C ASP A 685 15.062 -1.828 -2.435 1.00 0.27 C ATOM 947 O ASP A 685 13.926 -2.168 -2.773 1.00 0.26 O ATOM 948 CB ASP A 685 16.127 -3.249 -4.206 1.00 0.35 C ATOM 949 CG ASP A 685 16.114 -2.147 -5.245 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.181 -1.566 -5.515 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.032 -1.860 -5.799 1.00 1.68 O ATOM 0 HA ASP A 685 17.171 -2.095 -2.734 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.952 -3.931 -4.412 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.207 -3.829 -4.282 1.00 0.35 H new ATOM 956 N PRO A 686 15.294 -0.709 -1.722 1.00 0.29 N ATOM 957 CA PRO A 686 14.228 0.220 -1.313 1.00 0.29 C ATOM 958 C PRO A 686 13.335 0.665 -2.472 1.00 0.25 C ATOM 959 O PRO A 686 12.152 0.953 -2.278 1.00 0.25 O ATOM 960 CB PRO A 686 15.002 1.412 -0.745 1.00 0.37 C ATOM 961 CG PRO A 686 16.275 0.824 -0.252 1.00 0.42 C ATOM 962 CD PRO A 686 16.617 -0.274 -1.227 1.00 0.37 C ATOM 0 HA PRO A 686 13.541 -0.246 -0.607 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.183 2.169 -1.508 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.450 1.897 0.060 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.065 1.574 -0.213 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.160 0.430 0.758 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.251 0.089 -2.036 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.154 -1.090 -0.743 1.00 0.37 H new ATOM 970 N GLN A 687 13.895 0.697 -3.678 1.00 0.25 N ATOM 971 CA GLN A 687 13.136 1.098 -4.855 1.00 0.27 C ATOM 972 C GLN A 687 12.063 0.060 -5.165 1.00 0.23 C ATOM 973 O GLN A 687 10.883 0.395 -5.300 1.00 0.24 O ATOM 974 CB GLN A 687 14.058 1.284 -6.063 1.00 0.35 C ATOM 975 CG GLN A 687 13.333 1.769 -7.311 1.00 0.65 C ATOM 976 CD GLN A 687 12.712 3.147 -7.136 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.241 3.993 -6.415 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.572 3.370 -7.776 1.00 1.23 N ATOM 0 H GLN A 687 14.867 0.451 -3.864 1.00 0.25 H new ATOM 0 HA GLN A 687 12.656 2.053 -4.644 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.840 1.998 -5.806 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.551 0.337 -6.283 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.034 1.795 -8.145 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.552 1.055 -7.573 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.167 2.642 -8.364 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.101 4.270 -7.680 1.00 1.23 H new ATOM 987 N ARG A 688 12.468 -1.205 -5.242 1.00 0.22 N ATOM 988 CA ARG A 688 11.540 -2.287 -5.521 1.00 0.23 C ATOM 989 C ARG A 688 10.614 -2.489 -4.331 1.00 0.18 C ATOM 990 O ARG A 688 9.454 -2.864 -4.493 1.00 0.20 O ATOM 991 CB ARG A 688 12.295 -3.584 -5.824 1.00 0.29 C ATOM 992 CG ARG A 688 11.409 -4.703 -6.349 1.00 0.70 C ATOM 993 CD ARG A 688 12.213 -5.953 -6.665 1.00 0.78 C ATOM 994 NE ARG A 688 13.276 -5.690 -7.634 1.00 1.67 N ATOM 995 CZ ARG A 688 14.427 -6.363 -7.685 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.658 -7.365 -6.843 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.344 -6.041 -8.587 1.00 3.24 N ATOM 0 H ARG A 688 13.435 -1.502 -5.114 1.00 0.22 H new ATOM 0 HA ARG A 688 10.949 -2.022 -6.398 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.075 -3.377 -6.557 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.793 -3.924 -4.916 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.644 -4.939 -5.609 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.891 -4.366 -7.247 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.649 -6.346 -5.746 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.548 -6.723 -7.056 1.00 0.78 H new ATOM 0 HE ARG A 688 13.128 -4.945 -8.314 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.953 -7.624 -6.152 1.00 1.85 H new ATOM 0 HH12 ARG A 688 15.540 -7.875 -6.887 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.170 -5.279 -9.242 1.00 3.24 H new ATOM 0 HH22 ARG A 688 16.224 -6.556 -8.626 1.00 3.24 H new ATOM 1011 N SER A 689 11.138 -2.240 -3.137 1.00 0.16 N ATOM 1012 CA SER A 689 10.336 -2.291 -1.926 1.00 0.17 C ATOM 1013 C SER A 689 9.122 -1.376 -2.061 1.00 0.15 C ATOM 1014 O SER A 689 7.986 -1.806 -1.838 1.00 0.16 O ATOM 1015 CB SER A 689 11.172 -1.890 -0.709 1.00 0.21 C ATOM 1016 OG SER A 689 10.473 -2.138 0.498 1.00 1.11 O ATOM 0 H SER A 689 12.118 -2.000 -2.984 1.00 0.16 H new ATOM 0 HA SER A 689 9.990 -3.315 -1.782 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.110 -2.446 -0.710 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.428 -0.832 -0.773 1.00 0.21 H new ATOM 0 HG SER A 689 10.340 -3.103 0.607 1.00 1.11 H new ATOM 1022 N GLY A 690 9.348 -0.127 -2.470 1.00 0.16 N ATOM 1023 CA GLY A 690 8.248 0.797 -2.640 1.00 0.18 C ATOM 1024 C GLY A 690 7.404 0.446 -3.843 1.00 0.17 C ATOM 1025 O GLY A 690 6.200 0.702 -3.868 1.00 0.19 O ATOM 0 H GLY A 690 10.269 0.255 -2.684 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.626 0.791 -1.745 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.637 1.809 -2.751 1.00 0.18 H new ATOM 1029 N ASP A 691 8.038 -0.157 -4.838 1.00 0.17 N ATOM 1030 CA ASP A 691 7.342 -0.577 -6.048 1.00 0.20 C ATOM 1031 C ASP A 691 6.326 -1.667 -5.709 1.00 0.18 C ATOM 1032 O ASP A 691 5.208 -1.682 -6.225 1.00 0.22 O ATOM 1033 CB ASP A 691 8.346 -1.090 -7.085 1.00 0.26 C ATOM 1034 CG ASP A 691 7.762 -1.167 -8.477 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.712 -0.132 -9.169 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.333 -2.267 -8.883 1.00 1.54 O ATOM 0 H ASP A 691 9.036 -0.367 -4.832 1.00 0.17 H new ATOM 0 HA ASP A 691 6.815 0.279 -6.470 1.00 0.20 H new ATOM 0 HB2 ASP A 691 9.216 -0.434 -7.097 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.696 -2.079 -6.787 1.00 0.26 H new ATOM 1041 N LEU A 692 6.713 -2.564 -4.812 1.00 0.16 N ATOM 1042 CA LEU A 692 5.825 -3.627 -4.363 1.00 0.16 C ATOM 1043 C LEU A 692 4.791 -3.097 -3.377 1.00 0.15 C ATOM 1044 O LEU A 692 3.647 -3.540 -3.382 1.00 0.16 O ATOM 1045 CB LEU A 692 6.616 -4.774 -3.727 1.00 0.20 C ATOM 1046 CG LEU A 692 6.985 -5.930 -4.657 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.739 -6.695 -5.064 1.00 1.35 C ATOM 1048 CD2 LEU A 692 7.730 -5.431 -5.885 1.00 0.73 C ATOM 0 H LEU A 692 7.637 -2.576 -4.381 1.00 0.16 H new ATOM 0 HA LEU A 692 5.304 -4.010 -5.240 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.534 -4.366 -3.305 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.034 -5.174 -2.896 1.00 0.20 H new ATOM 0 HG LEU A 692 7.649 -6.603 -4.115 1.00 0.48 H new ATOM 0 HD11 LEU A 692 6.016 -7.515 -5.726 1.00 1.35 H new ATOM 0 HD12 LEU A 692 5.251 -7.095 -4.175 1.00 1.35 H new ATOM 0 HD13 LEU A 692 5.054 -6.025 -5.583 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.979 -6.275 -6.528 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.100 -4.731 -6.434 1.00 0.73 H new ATOM 0 HD23 LEU A 692 8.646 -4.928 -5.575 1.00 0.73 H new ATOM 1060 N TYR A 693 5.188 -2.140 -2.541 1.00 0.15 N ATOM 1061 CA TYR A 693 4.257 -1.542 -1.584 1.00 0.17 C ATOM 1062 C TYR A 693 3.168 -0.754 -2.299 1.00 0.18 C ATOM 1063 O TYR A 693 2.013 -0.760 -1.882 1.00 0.20 O ATOM 1064 CB TYR A 693 4.979 -0.647 -0.570 1.00 0.21 C ATOM 1065 CG TYR A 693 5.445 -1.399 0.655 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.540 -2.109 1.434 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.781 -1.405 1.034 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.952 -2.806 2.551 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.201 -2.099 2.150 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.283 -2.800 2.904 1.00 1.05 C ATOM 1071 OH TYR A 693 6.698 -3.501 4.011 1.00 1.33 O ATOM 0 H TYR A 693 6.136 -1.765 -2.505 1.00 0.15 H new ATOM 0 HA TYR A 693 3.793 -2.362 -1.036 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.838 -0.181 -1.052 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.311 0.158 -0.263 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.495 -2.115 1.160 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.503 -0.858 0.446 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.235 -3.353 3.145 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.244 -2.093 2.432 1.00 0.96 H new ATOM 0 HH TYR A 693 7.666 -3.395 4.122 1.00 1.33 H new ATOM 1081 N THR A 694 3.532 -0.099 -3.391 1.00 0.19 N ATOM 1082 CA THR A 694 2.562 0.658 -4.166 1.00 0.22 C ATOM 1083 C THR A 694 1.628 -0.290 -4.914 1.00 0.20 C ATOM 1084 O THR A 694 0.424 -0.043 -5.014 1.00 0.21 O ATOM 1085 CB THR A 694 3.250 1.625 -5.150 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.291 0.947 -5.860 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.832 2.822 -4.415 1.00 0.31 C ATOM 0 H THR A 694 4.483 -0.076 -3.758 1.00 0.19 H new ATOM 0 HA THR A 694 1.976 1.259 -3.471 1.00 0.22 H new ATOM 0 HB THR A 694 2.500 1.980 -5.857 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.095 0.906 -5.301 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.312 3.490 -5.130 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.034 3.356 -3.899 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.568 2.480 -3.688 1.00 0.31 H new ATOM 1095 N GLN A 695 2.182 -1.400 -5.398 1.00 0.19 N ATOM 1096 CA GLN A 695 1.375 -2.428 -6.041 1.00 0.20 C ATOM 1097 C GLN A 695 0.446 -3.075 -5.022 1.00 0.17 C ATOM 1098 O GLN A 695 -0.736 -3.309 -5.297 1.00 0.18 O ATOM 1099 CB GLN A 695 2.262 -3.491 -6.688 1.00 0.25 C ATOM 1100 CG GLN A 695 2.960 -3.022 -7.952 1.00 0.85 C ATOM 1101 CD GLN A 695 3.807 -4.112 -8.578 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.315 -4.902 -9.382 1.00 2.09 O ATOM 1103 NE2 GLN A 695 5.085 -4.155 -8.226 1.00 2.13 N ATOM 0 H GLN A 695 3.180 -1.607 -5.356 1.00 0.19 H new ATOM 0 HA GLN A 695 0.779 -1.957 -6.822 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.014 -3.811 -5.967 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.654 -4.364 -6.923 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.215 -2.685 -8.672 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.590 -2.163 -7.720 1.00 0.85 H new ATOM 0 HE21 GLN A 695 5.452 -3.480 -7.555 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.701 -4.863 -8.626 1.00 2.13 H new ATOM 1112 N ALA A 696 0.987 -3.353 -3.839 1.00 0.16 N ATOM 1113 CA ALA A 696 0.207 -3.911 -2.748 1.00 0.16 C ATOM 1114 C ALA A 696 -0.908 -2.963 -2.345 1.00 0.16 C ATOM 1115 O ALA A 696 -2.020 -3.396 -2.051 1.00 0.16 O ATOM 1116 CB ALA A 696 1.098 -4.214 -1.552 1.00 0.18 C ATOM 0 H ALA A 696 1.970 -3.198 -3.615 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.240 -4.843 -3.094 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.495 -4.631 -0.745 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.864 -4.933 -1.842 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.574 -3.295 -1.211 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.617 -1.667 -2.351 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.609 -0.666 -2.006 1.00 0.17 C ATOM 1124 C ALA A 697 -2.717 -0.625 -3.042 1.00 0.16 C ATOM 1125 O ALA A 697 -3.884 -0.425 -2.708 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.957 0.700 -1.881 1.00 0.20 C ATOM 0 H ALA A 697 0.299 -1.289 -2.592 1.00 0.16 H new ATOM 0 HA ALA A 697 -2.048 -0.937 -1.046 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.713 1.442 -1.622 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.196 0.670 -1.101 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.494 0.970 -2.830 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.350 -0.823 -4.303 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.328 -0.885 -5.372 1.00 0.20 C ATOM 1134 C GLU A 698 -4.268 -2.068 -5.156 1.00 0.18 C ATOM 1135 O GLU A 698 -5.484 -1.956 -5.341 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.633 -0.992 -6.731 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.593 -1.189 -7.891 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.897 -1.169 -9.230 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.391 -2.226 -9.654 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.861 -0.095 -9.865 1.00 1.40 O ATOM 0 H GLU A 698 -1.383 -0.943 -4.605 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.915 0.033 -5.361 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -2.049 -0.088 -6.903 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.931 -1.825 -6.706 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.113 -2.139 -7.770 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -4.351 -0.406 -7.868 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.701 -3.189 -4.731 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.486 -4.381 -4.450 1.00 0.18 C ATOM 1149 C ALA A 699 -5.305 -4.195 -3.178 1.00 0.15 C ATOM 1150 O ALA A 699 -6.379 -4.775 -3.022 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.571 -5.589 -4.330 1.00 0.21 C ATOM 0 H ALA A 699 -2.699 -3.297 -4.573 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.178 -4.549 -5.275 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.167 -6.477 -4.120 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -3.029 -5.729 -5.265 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.861 -5.428 -3.519 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.789 -3.373 -2.276 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.478 -3.069 -1.034 1.00 0.13 C ATOM 1159 C ALA A 700 -6.685 -2.183 -1.300 1.00 0.13 C ATOM 1160 O ALA A 700 -7.785 -2.467 -0.833 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.533 -2.408 -0.043 1.00 0.14 C ATOM 0 H ALA A 700 -3.890 -2.903 -2.384 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.828 -4.004 -0.596 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -5.069 -2.189 0.880 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.702 -3.080 0.171 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.150 -1.481 -0.469 1.00 0.14 H new ATOM 1167 N MET A 701 -6.486 -1.120 -2.070 1.00 0.15 N ATOM 1168 CA MET A 701 -7.578 -0.211 -2.392 1.00 0.20 C ATOM 1169 C MET A 701 -8.614 -0.907 -3.268 1.00 0.23 C ATOM 1170 O MET A 701 -9.795 -0.567 -3.229 1.00 0.28 O ATOM 1171 CB MET A 701 -7.068 1.065 -3.074 1.00 0.27 C ATOM 1172 CG MET A 701 -6.525 0.863 -4.479 1.00 0.44 C ATOM 1173 SD MET A 701 -6.008 2.412 -5.247 1.00 0.74 S ATOM 1174 CE MET A 701 -5.534 1.844 -6.878 1.00 0.76 C ATOM 0 H MET A 701 -5.587 -0.868 -2.480 1.00 0.15 H new ATOM 0 HA MET A 701 -8.051 0.081 -1.454 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.882 1.789 -3.115 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.284 1.502 -2.456 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.678 0.178 -4.443 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.290 0.392 -5.097 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.850 2.574 -7.623 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.451 1.726 -6.922 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.012 0.886 -7.083 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.172 -1.899 -4.041 1.00 0.24 N ATOM 1185 CA GLU A 702 -9.087 -2.708 -4.836 1.00 0.31 C ATOM 1186 C GLU A 702 -10.010 -3.499 -3.914 1.00 0.29 C ATOM 1187 O GLU A 702 -11.212 -3.621 -4.162 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.308 -3.670 -5.738 1.00 0.42 C ATOM 1189 CG GLU A 702 -9.202 -4.535 -6.618 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.451 -5.657 -7.304 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.563 -5.361 -8.137 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -8.745 -6.839 -7.023 1.00 2.58 O ATOM 0 H GLU A 702 -7.190 -2.159 -4.131 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.682 -2.046 -5.464 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.634 -3.095 -6.373 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.688 -4.316 -5.117 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -10.001 -4.959 -6.009 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.676 -3.908 -7.373 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.435 -4.008 -2.833 1.00 0.27 N ATOM 1200 CA ALA A 703 -10.160 -4.846 -1.892 1.00 0.32 C ATOM 1201 C ALA A 703 -10.782 -4.020 -0.768 1.00 0.33 C ATOM 1202 O ALA A 703 -11.028 -4.536 0.323 1.00 0.45 O ATOM 1203 CB ALA A 703 -9.228 -5.904 -1.318 1.00 0.39 C ATOM 0 H ALA A 703 -8.458 -3.852 -2.586 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.973 -5.334 -2.430 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.777 -6.529 -0.614 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.839 -6.524 -2.126 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.399 -5.418 -0.803 1.00 0.39 H new ATOM 1209 N MET A 704 -11.012 -2.733 -1.040 1.00 0.33 N ATOM 1210 CA MET A 704 -11.659 -1.827 -0.085 1.00 0.44 C ATOM 1211 C MET A 704 -10.881 -1.749 1.227 1.00 0.41 C ATOM 1212 O MET A 704 -11.460 -1.718 2.311 1.00 0.58 O ATOM 1213 CB MET A 704 -13.105 -2.262 0.190 1.00 0.61 C ATOM 1214 CG MET A 704 -14.011 -2.217 -1.032 1.00 1.01 C ATOM 1215 SD MET A 704 -15.728 -2.614 -0.642 1.00 2.03 S ATOM 1216 CE MET A 704 -16.136 -1.282 0.485 1.00 2.61 C ATOM 0 H MET A 704 -10.757 -2.291 -1.923 1.00 0.33 H new ATOM 0 HA MET A 704 -11.669 -0.835 -0.537 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.098 -3.277 0.587 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.525 -1.620 0.964 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.964 -1.223 -1.477 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.641 -2.919 -1.779 1.00 1.01 H new ATOM 0 HE1 MET A 704 -17.217 -1.146 0.511 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.777 -1.528 1.484 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.663 -0.361 0.146 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.565 -1.728 1.119 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.698 -1.626 2.283 1.00 0.34 C ATOM 1228 C LYS A 705 -7.978 -0.277 2.271 1.00 0.31 C ATOM 1229 O LYS A 705 -6.755 -0.217 2.144 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.682 -2.775 2.283 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.311 -4.160 2.240 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.020 -4.500 3.541 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.644 -5.887 3.489 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.870 -5.926 2.643 1.00 1.59 N ATOM 0 H LYS A 705 -9.068 -1.781 0.230 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.300 -1.697 3.189 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.021 -2.661 1.424 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.061 -2.697 3.176 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.022 -4.211 1.415 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.539 -4.904 2.042 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.311 -4.449 4.367 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.794 -3.759 3.740 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -8.914 -6.597 3.099 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -9.893 -6.209 4.500 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -11.249 -6.894 2.625 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -11.585 -5.282 3.038 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.633 -5.629 1.675 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.757 0.794 2.406 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.235 2.150 2.283 1.00 0.47 C ATOM 1250 C GLY A 706 -7.052 2.455 3.188 1.00 0.42 C ATOM 1251 O GLY A 706 -5.984 2.828 2.703 1.00 0.40 O ATOM 0 H GLY A 706 -9.757 0.746 2.602 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.937 2.319 1.248 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.036 2.856 2.503 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.234 2.306 4.499 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.165 2.608 5.458 1.00 0.47 C ATOM 1257 C ARG A 707 -4.923 1.764 5.177 1.00 0.38 C ATOM 1258 O ARG A 707 -3.795 2.230 5.332 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.634 2.374 6.895 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.643 2.857 7.943 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.125 2.543 9.350 1.00 1.28 C ATOM 1262 NE ARG A 707 -6.198 1.104 9.595 1.00 2.07 N ATOM 1263 CZ ARG A 707 -6.979 0.540 10.515 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -7.753 1.290 11.294 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -6.980 -0.779 10.665 1.00 3.90 N ATOM 0 H ARG A 707 -8.103 1.981 4.922 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.908 3.661 5.340 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.586 2.883 7.045 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.815 1.309 7.041 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.675 2.385 7.775 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.496 3.932 7.839 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -5.451 3.000 10.075 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -7.108 2.987 9.504 1.00 1.28 H new ATOM 0 HE ARG A 707 -5.614 0.492 9.025 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -7.751 2.305 11.189 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -8.348 0.851 11.996 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -6.383 -1.360 10.076 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -7.578 -1.212 11.369 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.140 0.524 4.750 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.041 -0.373 4.421 1.00 0.30 C ATOM 1281 C LEU A 708 -3.291 0.149 3.205 1.00 0.23 C ATOM 1282 O LEU A 708 -2.063 0.203 3.196 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.547 -1.794 4.143 1.00 0.34 C ATOM 1284 CG LEU A 708 -5.049 -2.586 5.359 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -6.361 -2.026 5.894 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.207 -4.054 4.997 1.00 1.02 C ATOM 0 H LEU A 708 -6.068 0.119 4.624 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.369 -0.410 5.278 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.357 -1.733 3.416 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.741 -2.359 3.675 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.305 -2.490 6.150 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -6.683 -2.613 6.754 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -6.217 -0.989 6.196 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -7.122 -2.075 5.115 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.563 -4.607 5.866 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.926 -4.153 4.184 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -4.245 -4.456 4.681 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.050 0.533 2.185 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.485 1.120 0.982 1.00 0.18 C ATOM 1300 C ALA A 709 -2.669 2.360 1.326 1.00 0.19 C ATOM 1301 O ALA A 709 -1.527 2.502 0.885 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.585 1.456 -0.012 1.00 0.21 C ATOM 0 H ALA A 709 -5.066 0.446 2.171 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.819 0.391 0.520 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.145 1.895 -0.907 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.123 0.547 -0.280 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.277 2.168 0.438 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.252 3.239 2.136 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.559 4.443 2.583 1.00 0.29 C ATOM 1310 C ASN A 710 -1.282 4.086 3.329 1.00 0.25 C ATOM 1311 O ASN A 710 -0.236 4.673 3.081 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.461 5.298 3.478 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.726 6.488 4.083 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.625 7.547 3.466 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.221 6.334 5.300 1.00 1.45 N ATOM 0 H ASN A 710 -4.201 3.140 2.496 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.300 5.022 1.696 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.309 5.657 2.896 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.864 4.679 4.279 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.732 7.107 5.751 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.322 5.442 5.785 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.375 3.124 4.242 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.216 2.669 5.000 1.00 0.26 C ATOM 1324 C GLN A 711 0.888 2.178 4.067 1.00 0.22 C ATOM 1325 O GLN A 711 2.043 2.569 4.200 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.621 1.548 5.959 1.00 0.32 C ATOM 1327 CG GLN A 711 0.510 1.069 6.854 1.00 1.24 C ATOM 1328 CD GLN A 711 0.120 -0.121 7.716 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.764 -0.973 7.208 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 0.614 -0.279 8.831 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.244 2.644 4.475 1.00 0.25 H new ATOM 0 HA GLN A 711 0.167 3.513 5.574 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.444 1.896 6.584 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.996 0.704 5.380 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.366 0.798 6.236 1.00 1.24 H new ATOM 0 HG3 GLN A 711 0.829 1.889 7.498 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.290 0.395 9.190 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.348 -1.084 9.397 1.00 1.09 H new ATOM 1339 N TYR A 712 0.531 1.300 3.142 1.00 0.20 N ATOM 1340 CA TYR A 712 1.500 0.773 2.186 1.00 0.20 C ATOM 1341 C TYR A 712 2.072 1.877 1.288 1.00 0.20 C ATOM 1342 O TYR A 712 3.238 1.817 0.901 1.00 0.21 O ATOM 1343 CB TYR A 712 0.890 -0.371 1.370 1.00 0.22 C ATOM 1344 CG TYR A 712 0.453 -1.548 2.230 1.00 0.24 C ATOM 1345 CD1 TYR A 712 0.992 -1.751 3.499 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.499 -2.451 1.777 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.591 -2.812 4.287 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.904 -3.517 2.560 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.357 -3.692 3.814 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.760 -4.748 4.601 1.00 0.44 O ATOM 0 H TYR A 712 -0.416 0.938 3.031 1.00 0.20 H new ATOM 0 HA TYR A 712 2.339 0.366 2.750 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.031 0.004 0.814 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.619 -0.715 0.636 1.00 0.22 H new ATOM 0 HD1 TYR A 712 1.738 -1.065 3.873 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.931 -2.319 0.796 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.019 -2.951 5.269 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.646 -4.210 2.191 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.434 -5.274 4.122 1.00 0.44 H new ATOM 1360 N TYR A 713 1.276 2.905 0.982 1.00 0.21 N ATOM 1361 CA TYR A 713 1.806 4.080 0.281 1.00 0.25 C ATOM 1362 C TYR A 713 2.740 4.861 1.204 1.00 0.23 C ATOM 1363 O TYR A 713 3.803 5.327 0.788 1.00 0.25 O ATOM 1364 CB TYR A 713 0.682 5.000 -0.220 1.00 0.32 C ATOM 1365 CG TYR A 713 0.116 4.615 -1.572 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.875 4.739 -2.728 1.00 1.81 C ATOM 1367 CD2 TYR A 713 -1.177 4.121 -1.689 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.363 4.382 -3.961 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -1.697 3.763 -2.921 1.00 1.50 C ATOM 1370 CZ TYR A 713 -0.921 3.925 -4.061 1.00 2.20 C ATOM 1371 OH TYR A 713 -1.437 3.540 -5.278 1.00 2.95 O ATOM 0 H TYR A 713 0.281 2.950 1.203 1.00 0.21 H new ATOM 0 HA TYR A 713 2.360 3.725 -0.588 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.125 4.999 0.512 1.00 0.32 H new ATOM 0 HB3 TYR A 713 1.061 6.020 -0.275 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.883 5.121 -2.662 1.00 1.81 H new ATOM 0 HD2 TYR A 713 -1.787 4.014 -0.804 1.00 0.96 H new ATOM 0 HE1 TYR A 713 0.977 4.464 -4.845 1.00 2.50 H new ATOM 0 HE2 TYR A 713 -2.697 3.361 -2.995 1.00 1.50 H new ATOM 0 HH TYR A 713 -2.363 3.241 -5.161 1.00 2.95 H new ATOM 1381 N GLN A 714 2.333 4.976 2.463 1.00 0.24 N ATOM 1382 CA GLN A 714 3.125 5.628 3.500 1.00 0.28 C ATOM 1383 C GLN A 714 4.460 4.912 3.677 1.00 0.23 C ATOM 1384 O GLN A 714 5.497 5.532 3.928 1.00 0.26 O ATOM 1385 CB GLN A 714 2.332 5.617 4.818 1.00 0.36 C ATOM 1386 CG GLN A 714 3.137 6.000 6.048 1.00 0.65 C ATOM 1387 CD GLN A 714 3.543 7.460 6.071 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.697 8.333 5.537 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 4.598 7.801 6.598 1.00 1.98 N flip ATOM 0 H GLN A 714 1.438 4.617 2.795 1.00 0.24 H new ATOM 0 HA GLN A 714 3.329 6.658 3.208 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.489 6.302 4.725 1.00 0.36 H new ATOM 0 HB3 GLN A 714 1.917 4.620 4.968 1.00 0.36 H new ATOM 0 HG2 GLN A 714 2.551 5.780 6.940 1.00 0.65 H new ATOM 0 HG3 GLN A 714 4.033 5.381 6.094 1.00 0.65 H new ATOM 0 HE21 GLN A 714 5.220 7.097 6.997 1.00 1.98 H new ATOM 0 HE22 GLN A 714 4.853 8.788 6.637 1.00 1.98 H new ATOM 1398 N LYS A 715 4.436 3.605 3.479 1.00 0.21 N ATOM 1399 CA LYS A 715 5.616 2.793 3.687 1.00 0.22 C ATOM 1400 C LYS A 715 6.461 2.810 2.424 1.00 0.20 C ATOM 1401 O LYS A 715 7.675 2.649 2.480 1.00 0.23 O ATOM 1402 CB LYS A 715 5.230 1.358 4.058 1.00 0.27 C ATOM 1403 CG LYS A 715 6.398 0.509 4.544 1.00 0.61 C ATOM 1404 CD LYS A 715 6.909 0.980 5.898 1.00 0.86 C ATOM 1405 CE LYS A 715 8.031 0.096 6.417 1.00 1.16 C ATOM 1406 NZ LYS A 715 9.247 0.183 5.571 1.00 1.67 N ATOM 0 H LYS A 715 3.612 3.087 3.175 1.00 0.21 H new ATOM 0 HA LYS A 715 6.194 3.205 4.515 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.467 1.387 4.836 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.781 0.877 3.189 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.086 -0.533 4.615 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.207 0.551 3.815 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.264 2.007 5.815 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.088 0.984 6.615 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.279 0.387 7.438 1.00 1.16 H new ATOM 0 HE3 LYS A 715 7.689 -0.938 6.454 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 10.069 -0.159 6.108 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 9.121 -0.403 4.721 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 9.404 1.172 5.290 1.00 1.67 H new ATOM 1420 N ALA A 716 5.802 3.003 1.285 1.00 0.17 N ATOM 1421 CA ALA A 716 6.494 3.195 0.021 1.00 0.18 C ATOM 1422 C ALA A 716 7.323 4.471 0.067 1.00 0.21 C ATOM 1423 O ALA A 716 8.492 4.479 -0.324 1.00 0.25 O ATOM 1424 CB ALA A 716 5.496 3.245 -1.128 1.00 0.21 C ATOM 0 H ALA A 716 4.785 3.030 1.215 1.00 0.17 H new ATOM 0 HA ALA A 716 7.164 2.351 -0.145 1.00 0.18 H new ATOM 0 HB1 ALA A 716 6.030 3.389 -2.067 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.939 2.309 -1.167 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.804 4.073 -0.973 1.00 0.21 H new ATOM 1430 N GLU A 717 6.712 5.544 0.562 1.00 0.24 N ATOM 1431 CA GLU A 717 7.406 6.809 0.750 1.00 0.32 C ATOM 1432 C GLU A 717 8.604 6.623 1.673 1.00 0.31 C ATOM 1433 O GLU A 717 9.719 7.055 1.361 1.00 0.33 O ATOM 1434 CB GLU A 717 6.451 7.852 1.332 1.00 0.45 C ATOM 1435 CG GLU A 717 5.420 8.367 0.339 1.00 1.26 C ATOM 1436 CD GLU A 717 6.023 9.306 -0.683 1.00 1.60 C ATOM 1437 OE1 GLU A 717 6.156 10.511 -0.381 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.369 8.851 -1.794 1.00 2.04 O ATOM 0 H GLU A 717 5.731 5.559 0.841 1.00 0.24 H new ATOM 0 HA GLU A 717 7.762 7.159 -0.219 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.932 7.418 2.187 1.00 0.45 H new ATOM 0 HB3 GLU A 717 7.033 8.694 1.706 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.960 7.522 -0.174 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.626 8.883 0.879 1.00 1.26 H new ATOM 1445 N GLU A 718 8.364 5.967 2.804 1.00 0.31 N ATOM 1446 CA GLU A 718 9.415 5.681 3.769 1.00 0.36 C ATOM 1447 C GLU A 718 10.514 4.836 3.124 1.00 0.33 C ATOM 1448 O GLU A 718 11.696 5.117 3.294 1.00 0.36 O ATOM 1449 CB GLU A 718 8.808 4.974 4.989 1.00 0.43 C ATOM 1450 CG GLU A 718 9.745 4.833 6.183 1.00 1.06 C ATOM 1451 CD GLU A 718 10.738 3.698 6.037 1.00 1.46 C ATOM 1452 OE1 GLU A 718 11.953 3.946 6.156 1.00 1.75 O ATOM 1453 OE2 GLU A 718 10.300 2.550 5.816 1.00 2.20 O ATOM 0 H GLU A 718 7.443 5.622 3.074 1.00 0.31 H new ATOM 0 HA GLU A 718 9.871 6.614 4.101 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.921 5.524 5.305 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.476 3.981 4.687 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.290 5.767 6.320 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.152 4.674 7.084 1.00 1.06 H new ATOM 1460 N ALA A 719 10.113 3.821 2.364 1.00 0.28 N ATOM 1461 CA ALA A 719 11.060 2.947 1.675 1.00 0.29 C ATOM 1462 C ALA A 719 11.991 3.740 0.761 1.00 0.30 C ATOM 1463 O ALA A 719 13.202 3.527 0.761 1.00 0.37 O ATOM 1464 CB ALA A 719 10.322 1.883 0.877 1.00 0.28 C ATOM 0 H ALA A 719 9.134 3.582 2.209 1.00 0.28 H new ATOM 0 HA ALA A 719 11.670 2.460 2.435 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.044 1.242 0.371 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.712 1.281 1.550 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.681 2.362 0.137 1.00 0.28 H new ATOM 1470 N TRP A 720 11.424 4.659 -0.011 1.00 0.26 N ATOM 1471 CA TRP A 720 12.226 5.482 -0.915 1.00 0.28 C ATOM 1472 C TRP A 720 13.069 6.497 -0.142 1.00 0.33 C ATOM 1473 O TRP A 720 14.086 6.981 -0.638 1.00 0.36 O ATOM 1474 CB TRP A 720 11.345 6.187 -1.951 1.00 0.29 C ATOM 1475 CG TRP A 720 10.686 5.235 -2.912 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.197 4.050 -3.369 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.406 5.389 -3.546 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.313 3.456 -4.235 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.210 4.257 -4.363 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.405 6.368 -3.504 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.059 4.080 -5.126 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.265 6.189 -4.263 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.099 5.053 -5.063 1.00 0.45 C ATOM 0 H TRP A 720 10.423 4.854 -0.032 1.00 0.26 H new ATOM 0 HA TRP A 720 12.906 4.816 -1.446 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.577 6.762 -1.434 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.952 6.898 -2.512 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.157 3.642 -3.089 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.455 2.563 -4.707 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.523 7.248 -2.889 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 7.928 3.205 -5.746 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.488 6.939 -4.239 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.195 4.942 -5.643 1.00 0.45 H new