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 Single : A 665 TYR OH : rot 180:sc= -0.944 USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 167:sc= -0.33 (180deg=-0.756) USER MOD Single : A 674 MET CE :methyl -178:sc= -0.392 (180deg=-0.4) USER MOD Single : A 687 GLN :FLIP amide:sc= -0.437 F(o=-1.5!,f=-0.44) USER MOD Single : A 689 SER OG : rot 64:sc= 0.24 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 695 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.42) USER MOD Single : A 701 MET CE :methyl 138:sc= -0.0523 (180deg=-2.54) USER MOD Single : A 704 MET CE :methyl -165:sc= -0.0467 (180deg=-0.354) USER MOD Single : A 705 LYS NZ :NH3+ -153:sc= 2.1 (180deg=0.592) USER MOD Single : A 710 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 711 GLN :FLIP amide:sc=-0.00143 F(o=-1,f=-0.0014) 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 F(o=-0.87,f=0) USER MOD Single : A 715 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.788 -8.217 -1.238 1.00 0.30 N ATOM 629 CA TYR A 665 -1.940 -7.107 -0.822 1.00 0.25 C ATOM 630 C TYR A 665 -1.041 -7.507 0.343 1.00 0.22 C ATOM 631 O TYR A 665 0.033 -6.949 0.520 1.00 0.22 O ATOM 632 CB TYR A 665 -2.781 -5.870 -0.470 1.00 0.27 C ATOM 633 CG TYR A 665 -3.902 -6.105 0.519 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.145 -6.552 0.094 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.721 -5.860 1.871 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.174 -6.750 0.991 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.747 -6.058 2.776 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.970 -6.503 2.331 1.00 0.64 C ATOM 639 OH TYR A 665 -6.991 -6.706 3.230 1.00 0.81 O ATOM 0 HA TYR A 665 -1.298 -6.847 -1.664 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.118 -5.104 -0.066 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.209 -5.469 -1.389 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.309 -6.748 -0.955 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.762 -5.509 2.223 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.136 -7.097 0.644 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.589 -5.864 3.827 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.680 -6.486 4.133 1.00 0.81 H new ATOM 649 N MET A 666 -1.468 -8.503 1.109 1.00 0.25 N ATOM 650 CA MET A 666 -0.660 -9.009 2.212 1.00 0.28 C ATOM 651 C MET A 666 0.534 -9.782 1.672 1.00 0.25 C ATOM 652 O MET A 666 1.640 -9.692 2.200 1.00 0.25 O ATOM 653 CB MET A 666 -1.503 -9.891 3.135 1.00 0.37 C ATOM 654 CG MET A 666 -2.469 -9.102 4.010 1.00 0.48 C ATOM 655 SD MET A 666 -3.632 -10.157 4.895 1.00 1.17 S ATOM 656 CE MET A 666 -4.564 -8.931 5.812 1.00 1.14 C ATOM 0 H MET A 666 -2.364 -8.975 0.988 1.00 0.25 H new ATOM 0 HA MET A 666 -0.293 -8.164 2.794 1.00 0.28 H new ATOM 0 HB2 MET A 666 -2.068 -10.600 2.531 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.840 -10.474 3.774 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.901 -8.512 4.729 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.024 -8.399 3.388 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.327 -9.428 6.412 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.891 -8.377 6.467 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.042 -8.242 5.116 1.00 1.14 H new ATOM 666 N MET A 667 0.312 -10.511 0.587 1.00 0.26 N ATOM 667 CA MET A 667 1.382 -11.248 -0.065 1.00 0.27 C ATOM 668 C MET A 667 2.349 -10.270 -0.721 1.00 0.23 C ATOM 669 O MET A 667 3.569 -10.398 -0.595 1.00 0.23 O ATOM 670 CB MET A 667 0.804 -12.207 -1.110 1.00 0.34 C ATOM 671 CG MET A 667 1.858 -12.962 -1.907 1.00 0.47 C ATOM 672 SD MET A 667 1.145 -14.059 -3.149 1.00 1.20 S ATOM 673 CE MET A 667 0.233 -12.890 -4.156 1.00 1.10 C ATOM 0 H MET A 667 -0.600 -10.607 0.141 1.00 0.26 H new ATOM 0 HA MET A 667 1.919 -11.834 0.680 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.157 -12.927 -0.609 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.177 -11.642 -1.800 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.518 -12.246 -2.397 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.474 -13.547 -1.223 1.00 0.47 H new ATOM 0 HE1 MET A 667 -0.070 -13.370 -5.087 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.652 -12.557 -3.615 1.00 1.10 H new ATOM 0 HE3 MET A 667 0.866 -12.031 -4.380 1.00 1.10 H new ATOM 683 N LEU A 668 1.790 -9.273 -1.398 1.00 0.21 N ATOM 684 CA LEU A 668 2.593 -8.238 -2.041 1.00 0.19 C ATOM 685 C LEU A 668 3.355 -7.416 -1.004 1.00 0.17 C ATOM 686 O LEU A 668 4.481 -6.982 -1.253 1.00 0.17 O ATOM 687 CB LEU A 668 1.723 -7.317 -2.907 1.00 0.21 C ATOM 688 CG LEU A 668 1.437 -7.812 -4.334 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.723 -9.154 -4.331 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.614 -6.783 -5.092 1.00 0.80 C ATOM 0 H LEU A 668 0.783 -9.159 -1.516 1.00 0.21 H new ATOM 0 HA LEU A 668 3.313 -8.738 -2.688 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.771 -7.164 -2.398 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.210 -6.344 -2.971 1.00 0.21 H new ATOM 0 HG LEU A 668 2.395 -7.947 -4.835 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.538 -9.470 -5.358 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.344 -9.896 -3.829 1.00 0.82 H new ATOM 0 HD13 LEU A 668 -0.227 -9.060 -3.804 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.418 -7.145 -6.101 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.332 -6.621 -4.575 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.165 -5.844 -5.144 1.00 0.80 H new ATOM 702 N ALA A 669 2.758 -7.233 0.172 1.00 0.18 N ATOM 703 CA ALA A 669 3.407 -6.484 1.237 1.00 0.19 C ATOM 704 C ALA A 669 4.464 -7.345 1.911 1.00 0.20 C ATOM 705 O ALA A 669 5.484 -6.840 2.370 1.00 0.22 O ATOM 706 CB ALA A 669 2.390 -5.993 2.255 1.00 0.23 C ATOM 0 H ALA A 669 1.833 -7.592 0.407 1.00 0.18 H new ATOM 0 HA ALA A 669 3.891 -5.611 0.799 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.901 -5.436 3.040 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.666 -5.344 1.762 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.873 -6.846 2.693 1.00 0.23 H new ATOM 712 N ARG A 670 4.213 -8.652 1.965 1.00 0.22 N ATOM 713 CA ARG A 670 5.202 -9.603 2.455 1.00 0.26 C ATOM 714 C ARG A 670 6.418 -9.593 1.540 1.00 0.23 C ATOM 715 O ARG A 670 7.563 -9.589 1.999 1.00 0.25 O ATOM 716 CB ARG A 670 4.611 -11.013 2.518 1.00 0.33 C ATOM 717 CG ARG A 670 5.593 -12.062 3.015 1.00 0.41 C ATOM 718 CD ARG A 670 4.973 -13.448 3.022 1.00 0.83 C ATOM 719 NE ARG A 670 4.695 -13.944 1.673 1.00 1.62 N ATOM 720 CZ ARG A 670 3.849 -14.940 1.410 1.00 2.33 C ATOM 721 NH1 ARG A 670 3.169 -15.515 2.397 1.00 2.41 N ATOM 722 NH2 ARG A 670 3.681 -15.361 0.161 1.00 3.33 N ATOM 0 H ARG A 670 3.331 -9.074 1.674 1.00 0.22 H new ATOM 0 HA ARG A 670 5.501 -9.309 3.461 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.740 -11.004 3.173 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.261 -11.296 1.525 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.479 -12.062 2.380 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.923 -11.805 4.022 1.00 0.41 H new ATOM 0 HD2 ARG A 670 5.645 -14.141 3.529 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.046 -13.425 3.596 1.00 0.83 H new ATOM 0 HE ARG A 670 5.176 -13.502 0.890 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.294 -15.194 3.357 1.00 2.41 H new ATOM 0 HH12 ARG A 670 2.522 -16.277 2.194 1.00 2.41 H new ATOM 0 HH21 ARG A 670 4.200 -14.922 -0.599 1.00 3.33 H new ATOM 0 HH22 ARG A 670 3.033 -16.123 -0.037 1.00 3.33 H new ATOM 736 N GLU A 671 6.158 -9.560 0.236 1.00 0.22 N ATOM 737 CA GLU A 671 7.220 -9.498 -0.750 1.00 0.23 C ATOM 738 C GLU A 671 7.969 -8.183 -0.585 1.00 0.19 C ATOM 739 O GLU A 671 9.199 -8.149 -0.539 1.00 0.21 O ATOM 740 CB GLU A 671 6.634 -9.596 -2.159 1.00 0.30 C ATOM 741 CG GLU A 671 7.659 -9.909 -3.235 1.00 0.38 C ATOM 742 CD GLU A 671 8.210 -11.315 -3.116 1.00 0.99 C ATOM 743 OE1 GLU A 671 9.449 -11.477 -3.170 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.413 -12.260 -2.951 1.00 1.11 O ATOM 0 H GLU A 671 5.217 -9.575 -0.158 1.00 0.22 H new ATOM 0 HA GLU A 671 7.907 -10.332 -0.603 1.00 0.23 H new ATOM 0 HB2 GLU A 671 5.865 -10.369 -2.169 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.142 -8.654 -2.403 1.00 0.30 H new ATOM 0 HG2 GLU A 671 7.202 -9.783 -4.216 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.479 -9.194 -3.171 1.00 0.38 H new ATOM 751 N ALA A 672 7.204 -7.102 -0.470 1.00 0.17 N ATOM 752 CA ALA A 672 7.766 -5.784 -0.230 1.00 0.18 C ATOM 753 C ALA A 672 8.620 -5.772 1.034 1.00 0.20 C ATOM 754 O ALA A 672 9.688 -5.169 1.063 1.00 0.23 O ATOM 755 CB ALA A 672 6.660 -4.748 -0.131 1.00 0.21 C ATOM 0 H ALA A 672 6.187 -7.117 -0.540 1.00 0.17 H new ATOM 0 HA ALA A 672 8.409 -5.533 -1.074 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.097 -3.766 0.049 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.095 -4.729 -1.063 1.00 0.21 H new ATOM 0 HB3 ALA A 672 5.993 -5.005 0.692 1.00 0.21 H new ATOM 761 N GLU A 673 8.145 -6.453 2.073 1.00 0.22 N ATOM 762 CA GLU A 673 8.881 -6.568 3.322 1.00 0.28 C ATOM 763 C GLU A 673 10.199 -7.293 3.087 1.00 0.28 C ATOM 764 O GLU A 673 11.250 -6.865 3.566 1.00 0.31 O ATOM 765 CB GLU A 673 8.041 -7.315 4.364 1.00 0.34 C ATOM 766 CG GLU A 673 8.704 -7.437 5.727 1.00 0.70 C ATOM 767 CD GLU A 673 8.925 -6.098 6.399 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.931 -5.394 6.682 1.00 1.16 O ATOM 769 OE2 GLU A 673 10.094 -5.754 6.672 1.00 1.76 O ATOM 0 H GLU A 673 7.247 -6.936 2.071 1.00 0.22 H new ATOM 0 HA GLU A 673 9.094 -5.568 3.699 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.087 -6.801 4.481 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.821 -8.314 3.988 1.00 0.34 H new ATOM 0 HG2 GLU A 673 8.086 -8.063 6.371 1.00 0.70 H new ATOM 0 HG3 GLU A 673 9.663 -7.944 5.615 1.00 0.70 H new ATOM 776 N MET A 674 10.141 -8.375 2.315 1.00 0.27 N ATOM 777 CA MET A 674 11.334 -9.159 2.012 1.00 0.31 C ATOM 778 C MET A 674 12.298 -8.372 1.129 1.00 0.29 C ATOM 779 O MET A 674 13.504 -8.597 1.168 1.00 0.34 O ATOM 780 CB MET A 674 10.974 -10.488 1.337 1.00 0.36 C ATOM 781 CG MET A 674 10.194 -11.440 2.230 1.00 0.54 C ATOM 782 SD MET A 674 10.076 -13.108 1.547 1.00 0.60 S ATOM 783 CE MET A 674 9.231 -12.798 -0.001 1.00 0.79 C ATOM 0 H MET A 674 9.284 -8.728 1.889 1.00 0.27 H new ATOM 0 HA MET A 674 11.825 -9.377 2.960 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.388 -10.282 0.441 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.891 -10.979 1.012 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.673 -11.487 3.208 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.190 -11.044 2.385 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.057 -13.743 -0.516 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.276 -12.311 0.197 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.845 -12.151 -0.627 1.00 0.79 H new ATOM 793 N LEU A 675 11.771 -7.446 0.337 1.00 0.26 N ATOM 794 CA LEU A 675 12.613 -6.601 -0.507 1.00 0.27 C ATOM 795 C LEU A 675 13.125 -5.391 0.265 1.00 0.30 C ATOM 796 O LEU A 675 14.173 -4.837 -0.062 1.00 0.39 O ATOM 797 CB LEU A 675 11.844 -6.122 -1.747 1.00 0.27 C ATOM 798 CG LEU A 675 11.975 -6.991 -3.005 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.428 -7.090 -3.443 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.388 -8.375 -2.781 1.00 0.47 C ATOM 0 H LEU A 675 10.771 -7.260 0.260 1.00 0.26 H new ATOM 0 HA LEU A 675 13.462 -7.206 -0.824 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.787 -6.051 -1.488 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.181 -5.114 -1.990 1.00 0.27 H new ATOM 0 HG LEU A 675 11.407 -6.511 -3.802 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.497 -7.711 -4.336 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.810 -6.093 -3.663 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.019 -7.537 -2.644 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.496 -8.967 -3.690 1.00 0.47 H new ATOM 0 HD22 LEU A 675 11.916 -8.866 -1.963 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.331 -8.286 -2.529 1.00 0.47 H new ATOM 812 N PHE A 676 12.379 -4.976 1.279 1.00 0.30 N ATOM 813 CA PHE A 676 12.735 -3.796 2.053 1.00 0.37 C ATOM 814 C PHE A 676 13.788 -4.123 3.105 1.00 0.42 C ATOM 815 O PHE A 676 14.876 -3.546 3.103 1.00 0.46 O ATOM 816 CB PHE A 676 11.486 -3.194 2.712 1.00 0.44 C ATOM 817 CG PHE A 676 11.742 -1.900 3.434 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.537 -1.801 4.800 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.188 -0.783 2.745 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.771 -0.613 5.466 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.425 0.408 3.405 1.00 0.82 C ATOM 822 CZ PHE A 676 12.216 0.493 4.767 1.00 0.82 C ATOM 0 H PHE A 676 11.523 -5.439 1.585 1.00 0.30 H new ATOM 0 HA PHE A 676 13.161 -3.061 1.371 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.728 -3.028 1.947 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.075 -3.917 3.417 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.190 -2.662 5.351 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.352 -0.844 1.679 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.606 -0.549 6.531 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.773 1.271 2.856 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.400 1.422 5.285 1.00 0.82 H new ATOM 944 N ASP A 685 16.228 -3.849 -1.691 1.00 0.36 N ATOM 945 CA ASP A 685 16.317 -2.774 -2.669 1.00 0.32 C ATOM 946 C ASP A 685 15.173 -1.793 -2.451 1.00 0.27 C ATOM 947 O ASP A 685 14.022 -2.102 -2.761 1.00 0.26 O ATOM 948 CB ASP A 685 16.258 -3.320 -4.100 1.00 0.35 C ATOM 949 CG ASP A 685 16.290 -2.207 -5.130 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.396 -1.772 -5.515 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.209 -1.755 -5.556 1.00 1.68 O ATOM 0 HA ASP A 685 17.273 -2.268 -2.536 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.098 -3.994 -4.267 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.349 -3.907 -4.228 1.00 0.35 H new ATOM 956 N PRO A 686 15.471 -0.600 -1.895 1.00 0.29 N ATOM 957 CA PRO A 686 14.451 0.410 -1.554 1.00 0.29 C ATOM 958 C PRO A 686 13.516 0.758 -2.714 1.00 0.25 C ATOM 959 O PRO A 686 12.346 1.079 -2.498 1.00 0.25 O ATOM 960 CB PRO A 686 15.279 1.637 -1.163 1.00 0.37 C ATOM 961 CG PRO A 686 16.578 1.083 -0.694 1.00 0.42 C ATOM 962 CD PRO A 686 16.832 -0.146 -1.534 1.00 0.37 C ATOM 0 HA PRO A 686 13.788 0.042 -0.771 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.418 2.308 -2.011 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.788 2.213 -0.378 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.380 1.811 -0.815 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.535 0.830 0.365 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.426 0.087 -2.418 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.376 -0.909 -0.977 1.00 0.37 H new ATOM 970 N GLN A 687 14.017 0.679 -3.939 1.00 0.25 N ATOM 971 CA GLN A 687 13.223 1.043 -5.104 1.00 0.27 C ATOM 972 C GLN A 687 12.157 -0.020 -5.357 1.00 0.23 C ATOM 973 O GLN A 687 10.965 0.291 -5.475 1.00 0.24 O ATOM 974 CB GLN A 687 14.124 1.227 -6.331 1.00 0.35 C ATOM 975 CG GLN A 687 13.481 2.018 -7.467 1.00 0.65 C ATOM 976 CD GLN A 687 12.514 1.208 -8.316 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.818 -0.061 -8.530 1.00 2.21 O flip ATOM 978 NE2 GLN A 687 11.520 1.734 -8.810 1.00 1.23 N flip ATOM 0 H GLN A 687 14.965 0.368 -4.151 1.00 0.25 H new ATOM 0 HA GLN A 687 12.723 1.993 -4.913 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.039 1.733 -6.023 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.414 0.245 -6.706 1.00 0.35 H new ATOM 0 HG2 GLN A 687 12.951 2.872 -7.046 1.00 0.65 H new ATOM 0 HG3 GLN A 687 14.267 2.415 -8.109 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.316 2.716 -8.623 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.898 1.189 -9.407 1.00 1.23 H new ATOM 987 N ARG A 688 12.582 -1.278 -5.389 1.00 0.22 N ATOM 988 CA ARG A 688 11.671 -2.382 -5.627 1.00 0.23 C ATOM 989 C ARG A 688 10.739 -2.536 -4.434 1.00 0.18 C ATOM 990 O ARG A 688 9.582 -2.933 -4.578 1.00 0.20 O ATOM 991 CB ARG A 688 12.455 -3.674 -5.862 1.00 0.29 C ATOM 992 CG ARG A 688 11.627 -4.802 -6.458 1.00 0.70 C ATOM 993 CD ARG A 688 12.490 -6.015 -6.756 1.00 0.78 C ATOM 994 NE ARG A 688 13.622 -5.673 -7.617 1.00 1.67 N ATOM 995 CZ ARG A 688 14.741 -6.389 -7.704 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.873 -7.519 -7.020 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.728 -5.974 -8.487 1.00 3.24 N ATOM 0 H ARG A 688 13.554 -1.555 -5.252 1.00 0.22 H new ATOM 0 HA ARG A 688 11.079 -2.174 -6.518 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.293 -3.462 -6.526 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.876 -4.008 -4.914 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.832 -5.079 -5.766 1.00 0.70 H new ATOM 0 HG3 ARG A 688 11.147 -4.460 -7.375 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.858 -6.439 -5.822 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.885 -6.783 -7.238 1.00 0.78 H new ATOM 0 HE ARG A 688 13.549 -4.831 -8.188 1.00 1.67 H new ATOM 0 HH11 ARG A 688 14.114 -7.845 -6.422 1.00 1.85 H new ATOM 0 HH12 ARG A 688 15.734 -8.061 -7.092 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.628 -5.110 -9.019 1.00 3.24 H new ATOM 0 HH22 ARG A 688 16.587 -6.519 -8.557 1.00 3.24 H new ATOM 1011 N SER A 689 11.260 -2.205 -3.255 1.00 0.16 N ATOM 1012 CA SER A 689 10.456 -2.167 -2.046 1.00 0.17 C ATOM 1013 C SER A 689 9.254 -1.260 -2.246 1.00 0.15 C ATOM 1014 O SER A 689 8.117 -1.672 -2.010 1.00 0.16 O ATOM 1015 CB SER A 689 11.281 -1.670 -0.860 1.00 0.21 C ATOM 1016 OG SER A 689 12.458 -2.437 -0.699 1.00 1.11 O ATOM 0 H SER A 689 12.240 -1.959 -3.116 1.00 0.16 H new ATOM 0 HA SER A 689 10.114 -3.180 -1.834 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.544 -0.623 -1.010 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.683 -1.722 0.050 1.00 0.21 H new ATOM 0 HG SER A 689 13.034 -2.321 -1.484 1.00 1.11 H new ATOM 1022 N GLY A 690 9.489 -0.034 -2.718 1.00 0.16 N ATOM 1023 CA GLY A 690 8.398 0.883 -2.933 1.00 0.18 C ATOM 1024 C GLY A 690 7.505 0.446 -4.069 1.00 0.17 C ATOM 1025 O GLY A 690 6.300 0.680 -4.031 1.00 0.19 O ATOM 0 H GLY A 690 10.413 0.331 -2.951 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.808 0.965 -2.020 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.796 1.875 -3.146 1.00 0.18 H new ATOM 1029 N ASP A 691 8.090 -0.195 -5.079 1.00 0.17 N ATOM 1030 CA ASP A 691 7.301 -0.730 -6.191 1.00 0.20 C ATOM 1031 C ASP A 691 6.283 -1.732 -5.664 1.00 0.18 C ATOM 1032 O ASP A 691 5.084 -1.620 -5.928 1.00 0.22 O ATOM 1033 CB ASP A 691 8.197 -1.405 -7.240 1.00 0.26 C ATOM 1034 CG ASP A 691 7.393 -2.074 -8.343 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.049 -1.394 -9.337 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.108 -3.282 -8.231 1.00 1.54 O ATOM 0 H ASP A 691 9.095 -0.356 -5.152 1.00 0.17 H new ATOM 0 HA ASP A 691 6.786 0.102 -6.671 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.862 -0.661 -7.679 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.828 -2.148 -6.752 1.00 0.26 H new ATOM 1041 N LEU A 692 6.760 -2.688 -4.877 1.00 0.16 N ATOM 1042 CA LEU A 692 5.890 -3.716 -4.331 1.00 0.16 C ATOM 1043 C LEU A 692 4.937 -3.141 -3.288 1.00 0.15 C ATOM 1044 O LEU A 692 3.802 -3.585 -3.186 1.00 0.16 O ATOM 1045 CB LEU A 692 6.701 -4.868 -3.734 1.00 0.20 C ATOM 1046 CG LEU A 692 6.865 -6.098 -4.632 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.508 -6.719 -4.927 1.00 1.35 C ATOM 1048 CD2 LEU A 692 7.585 -5.743 -5.925 1.00 0.73 C ATOM 0 H LEU A 692 7.740 -2.771 -4.605 1.00 0.16 H new ATOM 0 HA LEU A 692 5.295 -4.108 -5.156 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.692 -4.495 -3.475 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.225 -5.180 -2.804 1.00 0.20 H new ATOM 0 HG LEU A 692 7.476 -6.828 -4.101 1.00 0.48 H new ATOM 0 HD11 LEU A 692 5.639 -7.592 -5.566 1.00 1.35 H new ATOM 0 HD12 LEU A 692 5.035 -7.021 -3.992 1.00 1.35 H new ATOM 0 HD13 LEU A 692 4.877 -5.989 -5.434 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.687 -6.636 -6.542 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.011 -4.991 -6.467 1.00 0.73 H new ATOM 0 HD23 LEU A 692 8.574 -5.347 -5.694 1.00 0.73 H new ATOM 1060 N TYR A 693 5.390 -2.152 -2.521 1.00 0.15 N ATOM 1061 CA TYR A 693 4.521 -1.511 -1.534 1.00 0.17 C ATOM 1062 C TYR A 693 3.415 -0.700 -2.210 1.00 0.18 C ATOM 1063 O TYR A 693 2.271 -0.707 -1.756 1.00 0.20 O ATOM 1064 CB TYR A 693 5.312 -0.624 -0.563 1.00 0.21 C ATOM 1065 CG TYR A 693 5.826 -1.366 0.653 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.941 -1.987 1.527 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.186 -1.445 0.935 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.394 -2.665 2.641 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.647 -2.123 2.048 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.746 -2.731 2.897 1.00 1.05 C ATOM 1071 OH TYR A 693 7.198 -3.408 4.004 1.00 1.33 O ATOM 0 H TYR A 693 6.339 -1.780 -2.561 1.00 0.15 H new ATOM 0 HA TYR A 693 4.060 -2.312 -0.956 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.156 -0.182 -1.093 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.676 0.198 -0.235 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.880 -1.938 1.331 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.894 -0.968 0.273 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.692 -3.142 3.309 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.706 -2.176 2.252 1.00 0.96 H new ATOM 0 HH TYR A 693 8.176 -3.361 4.039 1.00 1.33 H new ATOM 1081 N THR A 694 3.741 -0.018 -3.303 1.00 0.19 N ATOM 1082 CA THR A 694 2.736 0.754 -4.024 1.00 0.22 C ATOM 1083 C THR A 694 1.778 -0.181 -4.746 1.00 0.20 C ATOM 1084 O THR A 694 0.572 0.069 -4.799 1.00 0.21 O ATOM 1085 CB THR A 694 3.356 1.751 -5.028 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.390 1.115 -5.787 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.921 2.965 -4.308 1.00 0.31 C ATOM 0 H THR A 694 4.678 0.016 -3.704 1.00 0.19 H new ATOM 0 HA THR A 694 2.194 1.341 -3.283 1.00 0.22 H new ATOM 0 HB THR A 694 2.567 2.082 -5.704 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.249 1.230 -5.330 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.352 3.652 -5.036 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.123 3.468 -3.762 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.694 2.646 -3.609 1.00 0.31 H new ATOM 1095 N GLN A 695 2.310 -1.279 -5.272 1.00 0.19 N ATOM 1096 CA GLN A 695 1.472 -2.294 -5.887 1.00 0.20 C ATOM 1097 C GLN A 695 0.609 -2.971 -4.831 1.00 0.17 C ATOM 1098 O GLN A 695 -0.555 -3.287 -5.076 1.00 0.18 O ATOM 1099 CB GLN A 695 2.317 -3.329 -6.634 1.00 0.25 C ATOM 1100 CG GLN A 695 2.868 -2.827 -7.964 1.00 0.85 C ATOM 1101 CD GLN A 695 1.775 -2.371 -8.918 1.00 1.44 C ATOM 1102 OE1 GLN A 695 1.989 -1.486 -9.746 1.00 2.09 O ATOM 1103 NE2 GLN A 695 0.602 -2.981 -8.818 1.00 2.13 N ATOM 0 H GLN A 695 3.309 -1.485 -5.284 1.00 0.19 H new ATOM 0 HA GLN A 695 0.822 -1.806 -6.614 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.148 -3.633 -5.998 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.712 -4.217 -6.814 1.00 0.25 H new ATOM 0 HG2 GLN A 695 3.552 -1.999 -7.780 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.448 -3.621 -8.435 1.00 0.85 H new ATOM 0 HE21 GLN A 695 0.464 -3.710 -8.118 1.00 2.13 H new ATOM 0 HE22 GLN A 695 -0.163 -2.721 -9.441 1.00 2.13 H new ATOM 1112 N ALA A 696 1.181 -3.182 -3.649 1.00 0.16 N ATOM 1113 CA ALA A 696 0.434 -3.719 -2.528 1.00 0.16 C ATOM 1114 C ALA A 696 -0.671 -2.764 -2.116 1.00 0.16 C ATOM 1115 O ALA A 696 -1.776 -3.193 -1.796 1.00 0.16 O ATOM 1116 CB ALA A 696 1.351 -4.008 -1.348 1.00 0.18 C ATOM 0 H ALA A 696 2.162 -2.987 -3.448 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.018 -4.659 -2.846 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.765 -4.410 -0.521 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.107 -4.736 -1.644 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.839 -3.086 -1.032 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.389 -1.462 -2.147 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.398 -0.470 -1.824 1.00 0.17 C ATOM 1124 C ALA A 697 -2.476 -0.458 -2.892 1.00 0.16 C ATOM 1125 O ALA A 697 -3.654 -0.270 -2.598 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.775 0.912 -1.690 1.00 0.20 C ATOM 0 H ALA A 697 0.524 -1.078 -2.391 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.848 -0.735 -0.867 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.550 1.639 -1.448 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.029 0.899 -0.896 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.299 1.189 -2.631 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.060 -0.670 -4.135 1.00 0.17 N ATOM 1133 CA GLU A 698 -2.992 -0.783 -5.240 1.00 0.20 C ATOM 1134 C GLU A 698 -3.916 -1.977 -5.020 1.00 0.18 C ATOM 1135 O GLU A 698 -5.134 -1.871 -5.163 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.227 -0.922 -6.560 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.122 -1.100 -7.774 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.341 -1.146 -9.068 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.085 -2.258 -9.580 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -1.988 -0.069 -9.588 1.00 1.40 O ATOM 0 H GLU A 698 -1.079 -0.767 -4.399 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.601 0.120 -5.291 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.607 -0.037 -6.704 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.553 -1.775 -6.490 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.695 -2.021 -7.667 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.840 -0.281 -7.816 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.331 -3.106 -4.632 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.102 -4.308 -4.346 1.00 0.18 C ATOM 1149 C ALA A 699 -4.958 -4.115 -3.097 1.00 0.15 C ATOM 1150 O ALA A 699 -6.026 -4.709 -2.959 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.171 -5.498 -4.174 1.00 0.21 C ATOM 0 H ALA A 699 -2.324 -3.212 -4.509 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.767 -4.502 -5.188 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.758 -6.391 -3.961 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.601 -5.649 -5.090 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.486 -5.308 -3.348 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.481 -3.269 -2.195 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.212 -2.960 -0.976 1.00 0.13 C ATOM 1159 C ALA A 700 -6.441 -2.123 -1.296 1.00 0.13 C ATOM 1160 O ALA A 700 -7.546 -2.441 -0.867 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.320 -2.239 0.022 1.00 0.14 C ATOM 0 H ALA A 700 -3.588 -2.784 -2.286 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.537 -3.897 -0.524 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.889 -2.018 0.925 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.470 -2.873 0.274 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.961 -1.308 -0.417 1.00 0.14 H new ATOM 1167 N MET A 701 -6.249 -1.068 -2.080 1.00 0.15 N ATOM 1168 CA MET A 701 -7.354 -0.198 -2.460 1.00 0.20 C ATOM 1169 C MET A 701 -8.289 -0.923 -3.425 1.00 0.23 C ATOM 1170 O MET A 701 -9.474 -0.601 -3.517 1.00 0.28 O ATOM 1171 CB MET A 701 -6.837 1.109 -3.075 1.00 0.27 C ATOM 1172 CG MET A 701 -6.243 0.958 -4.466 1.00 0.44 C ATOM 1173 SD MET A 701 -5.600 2.511 -5.117 1.00 0.74 S ATOM 1174 CE MET A 701 -5.102 2.006 -6.761 1.00 0.76 C ATOM 0 H MET A 701 -5.343 -0.796 -2.463 1.00 0.15 H new ATOM 0 HA MET A 701 -7.916 0.058 -1.562 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.658 1.825 -3.120 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.081 1.533 -2.414 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.441 0.221 -4.436 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.005 0.572 -5.143 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.389 2.773 -7.480 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.021 1.870 -6.788 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.592 1.067 -7.017 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.751 -1.907 -4.145 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.570 -2.786 -4.971 1.00 0.31 C ATOM 1186 C GLU A 702 -9.481 -3.626 -4.087 1.00 0.29 C ATOM 1187 O GLU A 702 -10.667 -3.791 -4.366 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.688 -3.710 -5.809 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.472 -4.770 -6.567 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.585 -5.833 -7.171 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.187 -5.687 -8.343 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.269 -6.817 -6.471 1.00 2.58 O ATOM 0 H GLU A 702 -6.752 -2.113 -4.171 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.172 -2.169 -5.638 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.120 -3.111 -6.521 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -6.965 -4.200 -5.157 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.186 -5.240 -5.891 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.049 -4.292 -7.358 1.00 1.14 H new ATOM 1199 N ALA A 703 -8.914 -4.130 -3.001 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.639 -4.989 -2.081 1.00 0.32 C ATOM 1201 C ALA A 703 -10.473 -4.167 -1.102 1.00 0.33 C ATOM 1202 O ALA A 703 -10.900 -4.668 -0.060 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.668 -5.885 -1.328 1.00 0.39 C ATOM 0 H ALA A 703 -7.945 -3.956 -2.735 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.320 -5.612 -2.661 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.222 -6.525 -0.641 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.119 -6.504 -2.038 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.967 -5.269 -0.765 1.00 0.39 H new ATOM 1209 N MET A 704 -10.689 -2.896 -1.449 1.00 0.33 N ATOM 1210 CA MET A 704 -11.471 -1.974 -0.630 1.00 0.44 C ATOM 1211 C MET A 704 -10.873 -1.862 0.766 1.00 0.41 C ATOM 1212 O MET A 704 -11.580 -1.928 1.771 1.00 0.58 O ATOM 1213 CB MET A 704 -12.940 -2.414 -0.560 1.00 0.61 C ATOM 1214 CG MET A 704 -13.651 -2.377 -1.903 1.00 1.01 C ATOM 1215 SD MET A 704 -13.710 -0.721 -2.621 1.00 2.03 S ATOM 1216 CE MET A 704 -14.757 0.130 -1.441 1.00 2.61 C ATOM 0 H MET A 704 -10.326 -2.479 -2.306 1.00 0.33 H new ATOM 0 HA MET A 704 -11.438 -0.990 -1.098 1.00 0.44 H new ATOM 0 HB2 MET A 704 -12.989 -3.427 -0.160 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.471 -1.769 0.141 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.145 -3.050 -2.595 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.667 -2.751 -1.781 1.00 1.01 H new ATOM 0 HE1 MET A 704 -15.104 1.069 -1.873 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.615 -0.496 -1.198 1.00 2.61 H new ATOM 0 HE3 MET A 704 -14.190 0.336 -0.533 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.559 -1.733 0.813 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.838 -1.567 2.064 1.00 0.34 C ATOM 1228 C LYS A 705 -8.040 -0.273 2.026 1.00 0.31 C ATOM 1229 O LYS A 705 -6.826 -0.279 1.799 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.917 -2.767 2.310 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.670 -4.079 2.437 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.479 -4.131 3.722 1.00 0.70 C ATOM 1233 CE LYS A 705 -10.644 -5.098 3.604 1.00 1.02 C ATOM 1234 NZ LYS A 705 -11.615 -4.654 2.566 1.00 1.59 N ATOM 0 H LYS A 705 -8.962 -1.740 -0.014 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.552 -1.514 2.886 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.202 -2.843 1.491 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.342 -2.595 3.220 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.334 -4.203 1.582 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.964 -4.909 2.416 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.835 -4.434 4.547 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.853 -3.135 3.959 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.271 -6.091 3.354 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -11.150 -5.180 4.566 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -12.561 -5.018 2.797 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -11.642 -3.615 2.537 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -11.321 -5.018 1.637 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.741 0.834 2.233 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.135 2.142 2.127 1.00 0.47 C ATOM 1250 C GLY A 706 -7.054 2.392 3.158 1.00 0.42 C ATOM 1251 O GLY A 706 -6.020 2.981 2.837 1.00 0.40 O ATOM 0 H GLY A 706 -9.732 0.845 2.476 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.709 2.257 1.130 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.909 2.902 2.232 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.274 1.947 4.391 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.298 2.174 5.451 1.00 0.47 C ATOM 1257 C ARG A 707 -5.012 1.401 5.168 1.00 0.38 C ATOM 1258 O ARG A 707 -3.905 1.926 5.328 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.853 1.771 6.817 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.905 2.112 7.950 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.432 1.659 9.296 1.00 1.28 C ATOM 1262 NE ARG A 707 -5.526 2.056 10.369 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.155 1.266 11.373 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -5.637 0.033 11.473 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -4.290 1.709 12.277 1.00 3.90 N ATOM 0 H ARG A 707 -8.107 1.434 4.679 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.079 3.242 5.472 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.806 2.273 6.981 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -7.052 0.699 6.823 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.938 1.645 7.765 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.740 3.189 7.971 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -7.418 2.090 9.469 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.553 0.576 9.298 1.00 1.28 H new ATOM 0 HE ARG A 707 -5.151 3.004 10.348 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.297 -0.315 10.777 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -5.348 -0.567 12.246 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -3.911 2.653 12.201 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -4.004 1.105 13.048 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.165 0.153 4.739 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.021 -0.675 4.379 1.00 0.30 C ATOM 1281 C LEU A 708 -3.260 -0.033 3.228 1.00 0.23 C ATOM 1282 O LEU A 708 -2.028 0.055 3.251 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.466 -2.091 3.986 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.717 -3.074 5.141 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.444 -3.299 5.939 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.837 -2.588 6.050 1.00 1.02 C ATOM 0 H LEU A 708 -6.069 -0.307 4.632 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.368 -0.752 5.248 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.382 -2.011 3.400 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.706 -2.519 3.332 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.028 -4.024 4.706 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.643 -3.998 6.752 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.674 -3.711 5.287 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.101 -2.350 6.352 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.989 -3.306 6.856 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.569 -1.620 6.472 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.757 -2.490 5.473 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.014 0.416 2.229 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.449 1.126 1.092 1.00 0.18 C ATOM 1300 C ALA A 709 -2.671 2.350 1.552 1.00 0.19 C ATOM 1301 O ALA A 709 -1.540 2.574 1.125 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.546 1.521 0.112 1.00 0.21 C ATOM 0 H ALA A 709 -5.026 0.298 2.187 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.756 0.458 0.581 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.106 2.051 -0.733 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.053 0.625 -0.246 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.265 2.170 0.613 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.278 3.126 2.445 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.640 4.317 2.992 1.00 0.29 C ATOM 1310 C ASN A 710 -1.325 3.962 3.680 1.00 0.25 C ATOM 1311 O ASN A 710 -0.297 4.579 3.409 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.581 5.018 3.981 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.974 6.260 4.622 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -3.247 6.557 5.781 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.167 7.003 3.874 1.00 1.45 N ATOM 0 H ASN A 710 -4.215 2.949 2.806 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.423 4.996 2.167 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.498 5.298 3.462 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.861 4.314 4.765 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.752 7.851 4.259 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -1.962 6.725 2.914 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.359 2.965 4.562 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.159 2.532 5.276 1.00 0.26 C ATOM 1324 C GLN A 711 0.936 2.069 4.313 1.00 0.22 C ATOM 1325 O GLN A 711 2.068 2.546 4.371 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.495 1.405 6.257 1.00 0.32 C ATOM 1327 CG GLN A 711 0.726 0.865 6.988 1.00 1.24 C ATOM 1328 CD GLN A 711 0.410 -0.297 7.916 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.608 -1.082 7.579 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 1.085 -0.493 8.928 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.202 2.443 4.799 1.00 0.25 H new ATOM 0 HA GLN A 711 0.217 3.393 5.829 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.216 1.771 6.988 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.976 0.591 5.715 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.466 0.544 6.255 1.00 1.24 H new ATOM 0 HG3 GLN A 711 1.179 1.670 7.567 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.859 0.132 9.154 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.870 -1.280 9.540 1.00 1.09 H new ATOM 1339 N TYR A 712 0.607 1.126 3.442 1.00 0.20 N ATOM 1340 CA TYR A 712 1.596 0.602 2.502 1.00 0.20 C ATOM 1341 C TYR A 712 2.110 1.692 1.562 1.00 0.20 C ATOM 1342 O TYR A 712 3.283 1.681 1.178 1.00 0.21 O ATOM 1343 CB TYR A 712 1.044 -0.597 1.727 1.00 0.22 C ATOM 1344 CG TYR A 712 0.724 -1.773 2.626 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.478 -2.026 3.767 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.332 -2.621 2.340 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.184 -3.088 4.598 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.631 -3.691 3.166 1.00 0.38 C ATOM 1349 CZ TYR A 712 0.130 -3.916 4.294 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.166 -4.973 5.128 1.00 0.44 O ATOM 0 H TYR A 712 -0.322 0.711 3.364 1.00 0.20 H new ATOM 0 HA TYR A 712 2.449 0.251 3.084 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.142 -0.296 1.193 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.771 -0.906 0.976 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.309 -1.379 4.007 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.932 -2.445 1.459 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.778 -3.267 5.482 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.456 -4.346 2.928 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.939 -5.462 4.775 1.00 0.44 H new ATOM 1360 N TYR A 713 1.262 2.661 1.227 1.00 0.21 N ATOM 1361 CA TYR A 713 1.706 3.790 0.422 1.00 0.25 C ATOM 1362 C TYR A 713 2.616 4.683 1.264 1.00 0.23 C ATOM 1363 O TYR A 713 3.603 5.232 0.771 1.00 0.25 O ATOM 1364 CB TYR A 713 0.512 4.588 -0.113 1.00 0.32 C ATOM 1365 CG TYR A 713 0.885 5.565 -1.206 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.981 6.927 -0.948 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.147 5.119 -2.495 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.330 7.816 -1.946 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.494 6.003 -3.497 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.585 7.350 -3.218 1.00 2.20 C ATOM 1371 OH TYR A 713 1.937 8.235 -4.214 1.00 2.95 O ATOM 0 H TYR A 713 0.279 2.686 1.497 1.00 0.21 H new ATOM 0 HA TYR A 713 2.262 3.415 -0.437 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.237 3.895 -0.495 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.051 5.134 0.710 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.780 7.296 0.047 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.078 4.064 -2.717 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.403 8.872 -1.731 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.693 5.641 -4.495 1.00 1.50 H new ATOM 0 HH TYR A 713 2.083 7.745 -5.050 1.00 2.95 H new ATOM 1381 N GLN A 714 2.280 4.797 2.549 1.00 0.24 N ATOM 1382 CA GLN A 714 3.111 5.504 3.517 1.00 0.28 C ATOM 1383 C GLN A 714 4.478 4.854 3.614 1.00 0.23 C ATOM 1384 O GLN A 714 5.499 5.531 3.748 1.00 0.26 O ATOM 1385 CB GLN A 714 2.445 5.497 4.898 1.00 0.36 C ATOM 1386 CG GLN A 714 3.413 5.764 6.042 1.00 0.65 C ATOM 1387 CD GLN A 714 2.759 5.695 7.407 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.489 6.063 7.485 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 3.399 5.321 8.391 1.00 1.98 N flip ATOM 0 H GLN A 714 1.427 4.403 2.945 1.00 0.24 H new ATOM 0 HA GLN A 714 3.226 6.534 3.179 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.657 6.250 4.916 1.00 0.36 H new ATOM 0 HB3 GLN A 714 1.966 4.531 5.056 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.225 5.038 5.999 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.859 6.750 5.909 1.00 0.65 H new ATOM 0 HE21 GLN A 714 4.376 5.046 8.289 1.00 1.98 H new ATOM 0 HE22 GLN A 714 2.952 5.287 9.307 1.00 1.98 H new ATOM 1398 N LYS A 715 4.497 3.538 3.483 1.00 0.21 N ATOM 1399 CA LYS A 715 5.724 2.791 3.659 1.00 0.22 C ATOM 1400 C LYS A 715 6.525 2.850 2.369 1.00 0.20 C ATOM 1401 O LYS A 715 7.751 2.824 2.387 1.00 0.23 O ATOM 1402 CB LYS A 715 5.434 1.339 4.063 1.00 0.27 C ATOM 1403 CG LYS A 715 6.683 0.474 4.231 1.00 0.61 C ATOM 1404 CD LYS A 715 7.605 0.969 5.342 1.00 0.86 C ATOM 1405 CE LYS A 715 6.949 0.882 6.716 1.00 1.16 C ATOM 1406 NZ LYS A 715 6.605 -0.518 7.084 1.00 1.67 N ATOM 0 H LYS A 715 3.680 2.971 3.257 1.00 0.21 H new ATOM 0 HA LYS A 715 6.305 3.237 4.466 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.877 1.339 5.000 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.790 0.886 3.309 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.382 -0.551 4.446 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.234 0.454 3.291 1.00 0.61 H new ATOM 0 HD2 LYS A 715 8.522 0.379 5.341 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.890 2.002 5.142 1.00 0.86 H new ATOM 0 HE2 LYS A 715 7.622 1.299 7.466 1.00 1.16 H new ATOM 0 HE3 LYS A 715 6.045 1.491 6.725 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 6.353 -0.560 8.092 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 5.798 -0.839 6.512 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.423 -1.135 6.906 1.00 1.67 H new ATOM 1420 N ALA A 716 5.818 2.951 1.247 1.00 0.17 N ATOM 1421 CA ALA A 716 6.459 3.152 -0.041 1.00 0.18 C ATOM 1422 C ALA A 716 7.145 4.509 -0.081 1.00 0.21 C ATOM 1423 O ALA A 716 8.332 4.614 -0.418 1.00 0.25 O ATOM 1424 CB ALA A 716 5.435 3.048 -1.159 1.00 0.21 C ATOM 0 H ALA A 716 4.800 2.896 1.208 1.00 0.17 H new ATOM 0 HA ALA A 716 7.211 2.376 -0.182 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.928 3.201 -2.119 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.975 2.060 -1.140 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.667 3.809 -1.021 1.00 0.21 H new ATOM 1430 N GLU A 717 6.389 5.545 0.272 1.00 0.24 N ATOM 1431 CA GLU A 717 6.922 6.894 0.339 1.00 0.32 C ATOM 1432 C GLU A 717 8.088 6.948 1.315 1.00 0.31 C ATOM 1433 O GLU A 717 9.136 7.499 1.000 1.00 0.33 O ATOM 1434 CB GLU A 717 5.817 7.877 0.751 1.00 0.45 C ATOM 1435 CG GLU A 717 6.286 9.317 0.920 1.00 1.26 C ATOM 1436 CD GLU A 717 6.954 9.876 -0.321 1.00 1.60 C ATOM 1437 OE1 GLU A 717 8.093 10.371 -0.212 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.349 9.826 -1.410 1.00 2.04 O ATOM 0 H GLU A 717 5.401 5.471 0.516 1.00 0.24 H new ATOM 0 HA GLU A 717 7.288 7.183 -0.646 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.026 7.851 0.001 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.378 7.538 1.689 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.432 9.943 1.178 1.00 1.26 H new ATOM 0 HG3 GLU A 717 6.984 9.370 1.756 1.00 1.26 H new ATOM 1445 N GLU A 718 7.906 6.344 2.486 1.00 0.31 N ATOM 1446 CA GLU A 718 8.955 6.301 3.496 1.00 0.36 C ATOM 1447 C GLU A 718 10.184 5.557 2.970 1.00 0.33 C ATOM 1448 O GLU A 718 11.317 5.983 3.199 1.00 0.36 O ATOM 1449 CB GLU A 718 8.428 5.630 4.762 1.00 0.43 C ATOM 1450 CG GLU A 718 9.384 5.693 5.940 1.00 1.06 C ATOM 1451 CD GLU A 718 8.797 5.067 7.184 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.058 5.759 7.911 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.076 3.874 7.445 1.00 2.20 O ATOM 0 H GLU A 718 7.040 5.878 2.758 1.00 0.31 H new ATOM 0 HA GLU A 718 9.253 7.322 3.733 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.487 6.102 5.046 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.208 4.585 4.542 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.311 5.182 5.681 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.639 6.733 6.144 1.00 1.06 H new ATOM 1460 N ALA A 719 9.951 4.457 2.258 1.00 0.28 N ATOM 1461 CA ALA A 719 11.033 3.672 1.675 1.00 0.29 C ATOM 1462 C ALA A 719 11.891 4.528 0.757 1.00 0.30 C ATOM 1463 O ALA A 719 13.111 4.598 0.923 1.00 0.37 O ATOM 1464 CB ALA A 719 10.484 2.473 0.913 1.00 0.28 C ATOM 0 H ALA A 719 9.018 4.089 2.071 1.00 0.28 H new ATOM 0 HA ALA A 719 11.657 3.308 2.491 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.310 1.903 0.487 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.917 1.838 1.594 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.831 2.819 0.112 1.00 0.28 H new ATOM 1470 N TRP A 720 11.252 5.194 -0.200 1.00 0.26 N ATOM 1471 CA TRP A 720 11.979 6.040 -1.146 1.00 0.28 C ATOM 1472 C TRP A 720 12.530 7.294 -0.465 1.00 0.33 C ATOM 1473 O TRP A 720 13.618 7.769 -0.801 1.00 0.36 O ATOM 1474 CB TRP A 720 11.095 6.442 -2.333 1.00 0.29 C ATOM 1475 CG TRP A 720 10.699 5.297 -3.223 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.462 4.212 -3.565 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.449 5.138 -3.911 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.755 3.388 -4.410 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.522 3.935 -4.637 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.275 5.894 -3.978 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.469 3.475 -5.422 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.230 5.435 -4.758 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.332 4.235 -5.470 1.00 0.45 C ATOM 0 H TRP A 720 10.242 5.167 -0.342 1.00 0.26 H new ATOM 0 HA TRP A 720 12.816 5.449 -1.519 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.193 6.921 -1.953 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.624 7.185 -2.930 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.470 4.030 -3.222 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.095 2.511 -4.804 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.186 6.820 -3.430 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.546 2.550 -5.974 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.319 6.013 -4.819 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.497 3.902 -6.069 1.00 0.45 H new