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 665 TYR OH : rot 150:sc= -0.0614 USER MOD Set 1.2: A 705 LYS NZ :NH3+ -134:sc= 0.81 (180deg=-0.335) USER MOD Set 2.1: A 693 TYR OH : rot 180:sc= 0.937 USER MOD Set 2.2: A 715 LYS NZ :NH3+ -148:sc= 1.07 (180deg=-0.208) USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 161:sc= -0.128 (180deg=-0.586) USER MOD Single : A 674 MET CE :methyl -173:sc= -0.166 (180deg=-0.276) USER MOD Single : A 687 GLN : amide:sc= 0.218 X(o=0.22,f=-0.029) USER MOD Single : A 689 SER OG : rot 58:sc= -2! USER MOD Single : A 694 THR OG1 : rot 17:sc= 0.887 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.0149 F(o=-1.3!,f=-0.015) USER MOD Single : A 701 MET CE :methyl -118:sc= -0.047 (180deg=-1.99!) USER MOD Single : A 704 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0723 F(o=-1.7!,f=-0.072) 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=-0.44) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.519 -8.043 -1.696 1.00 0.30 N ATOM 629 CA TYR A 665 -1.794 -6.963 -1.043 1.00 0.25 C ATOM 630 C TYR A 665 -0.910 -7.476 0.088 1.00 0.22 C ATOM 631 O TYR A 665 0.185 -6.967 0.301 1.00 0.22 O ATOM 632 CB TYR A 665 -2.760 -5.878 -0.543 1.00 0.27 C ATOM 633 CG TYR A 665 -3.992 -6.380 0.190 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.035 -6.997 -0.495 1.00 0.48 C ATOM 635 CD2 TYR A 665 -4.125 -6.208 1.561 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.167 -7.429 0.164 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.257 -6.641 2.229 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.274 -7.250 1.526 1.00 0.64 C ATOM 639 OH TYR A 665 -7.406 -7.675 2.184 1.00 0.81 O ATOM 0 HA TYR A 665 -1.136 -6.515 -1.787 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.213 -5.208 0.120 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.085 -5.285 -1.398 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -4.956 -7.140 -1.563 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.332 -5.728 2.115 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.966 -7.905 -0.385 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.343 -6.502 3.297 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.176 -7.923 3.104 1.00 0.81 H new ATOM 649 N MET A 666 -1.363 -8.512 0.779 1.00 0.25 N ATOM 650 CA MET A 666 -0.599 -9.063 1.894 1.00 0.28 C ATOM 651 C MET A 666 0.659 -9.756 1.395 1.00 0.25 C ATOM 652 O MET A 666 1.736 -9.592 1.967 1.00 0.25 O ATOM 653 CB MET A 666 -1.450 -10.038 2.710 1.00 0.37 C ATOM 654 CG MET A 666 -2.489 -9.351 3.584 1.00 0.48 C ATOM 655 SD MET A 666 -3.571 -10.523 4.423 1.00 1.17 S ATOM 656 CE MET A 666 -4.671 -9.403 5.285 1.00 1.14 C ATOM 0 H MET A 666 -2.247 -8.986 0.592 1.00 0.25 H new ATOM 0 HA MET A 666 -0.307 -8.235 2.540 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.955 -10.724 2.030 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.795 -10.639 3.341 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.983 -8.733 4.326 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.091 -8.682 2.969 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.403 -9.977 5.853 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.093 -8.777 5.965 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.187 -8.772 4.562 1.00 1.14 H new ATOM 666 N MET A 667 0.527 -10.506 0.310 1.00 0.26 N ATOM 667 CA MET A 667 1.665 -11.204 -0.269 1.00 0.27 C ATOM 668 C MET A 667 2.630 -10.202 -0.888 1.00 0.23 C ATOM 669 O MET A 667 3.847 -10.307 -0.723 1.00 0.23 O ATOM 670 CB MET A 667 1.203 -12.217 -1.320 1.00 0.34 C ATOM 671 CG MET A 667 2.344 -12.989 -1.971 1.00 0.47 C ATOM 672 SD MET A 667 1.773 -14.216 -3.166 1.00 1.20 S ATOM 673 CE MET A 667 0.933 -13.174 -4.357 1.00 1.10 C ATOM 0 H MET A 667 -0.354 -10.646 -0.185 1.00 0.26 H new ATOM 0 HA MET A 667 2.179 -11.747 0.524 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.518 -12.924 -0.853 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.642 -11.693 -2.094 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.012 -12.287 -2.470 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.927 -13.488 -1.196 1.00 0.47 H new ATOM 0 HE1 MET A 667 0.824 -13.712 -5.299 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.053 -12.907 -3.976 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.516 -12.268 -4.522 1.00 1.10 H new ATOM 683 N LEU A 668 2.075 -9.214 -1.582 1.00 0.21 N ATOM 684 CA LEU A 668 2.884 -8.167 -2.195 1.00 0.19 C ATOM 685 C LEU A 668 3.591 -7.334 -1.135 1.00 0.17 C ATOM 686 O LEU A 668 4.722 -6.891 -1.342 1.00 0.17 O ATOM 687 CB LEU A 668 2.026 -7.266 -3.091 1.00 0.21 C ATOM 688 CG LEU A 668 1.933 -7.687 -4.565 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.526 -9.146 -4.706 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.948 -6.795 -5.302 1.00 0.80 C ATOM 0 H LEU A 668 1.071 -9.116 -1.734 1.00 0.21 H new ATOM 0 HA LEU A 668 3.639 -8.651 -2.814 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.018 -7.229 -2.679 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.426 -6.253 -3.046 1.00 0.21 H new ATOM 0 HG LEU A 668 2.923 -7.574 -5.007 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.471 -9.408 -5.763 1.00 0.82 H new ATOM 0 HD12 LEU A 668 2.264 -9.779 -4.214 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.551 -9.298 -4.243 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.890 -7.102 -6.346 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.037 -6.883 -4.843 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.283 -5.759 -5.247 1.00 0.80 H new ATOM 702 N ALA A 669 2.952 -7.148 0.015 1.00 0.18 N ATOM 703 CA ALA A 669 3.556 -6.381 1.094 1.00 0.19 C ATOM 704 C ALA A 669 4.588 -7.228 1.822 1.00 0.20 C ATOM 705 O ALA A 669 5.606 -6.720 2.285 1.00 0.22 O ATOM 706 CB ALA A 669 2.497 -5.889 2.063 1.00 0.23 C ATOM 0 H ALA A 669 2.023 -7.515 0.222 1.00 0.18 H new ATOM 0 HA ALA A 669 4.053 -5.511 0.664 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.971 -5.318 2.861 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.787 -5.253 1.534 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.970 -6.742 2.491 1.00 0.23 H new ATOM 712 N ARG A 670 4.310 -8.524 1.922 1.00 0.22 N ATOM 713 CA ARG A 670 5.265 -9.481 2.463 1.00 0.26 C ATOM 714 C ARG A 670 6.533 -9.458 1.623 1.00 0.23 C ATOM 715 O ARG A 670 7.648 -9.372 2.150 1.00 0.25 O ATOM 716 CB ARG A 670 4.649 -10.881 2.449 1.00 0.33 C ATOM 717 CG ARG A 670 5.575 -11.983 2.937 1.00 0.41 C ATOM 718 CD ARG A 670 4.916 -13.344 2.788 1.00 0.83 C ATOM 719 NE ARG A 670 5.754 -14.430 3.287 1.00 1.62 N ATOM 720 CZ ARG A 670 5.320 -15.678 3.469 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.064 -16.002 3.178 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.145 -16.604 3.940 1.00 3.33 N ATOM 0 H ARG A 670 3.423 -8.937 1.632 1.00 0.22 H new ATOM 0 HA ARG A 670 5.513 -9.213 3.490 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.753 -10.876 3.069 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.332 -11.114 1.433 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.506 -11.960 2.370 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.834 -11.811 3.982 1.00 0.41 H new ATOM 0 HD2 ARG A 670 3.968 -13.345 3.325 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.687 -13.520 1.737 1.00 0.83 H new ATOM 0 HE ARG A 670 6.728 -14.223 3.509 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.426 -15.294 2.813 1.00 2.41 H new ATOM 0 HH12 ARG A 670 3.738 -16.958 3.319 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.110 -16.361 4.163 1.00 3.33 H new ATOM 0 HH22 ARG A 670 5.814 -17.559 4.080 1.00 3.33 H new ATOM 736 N GLU A 671 6.347 -9.492 0.308 1.00 0.22 N ATOM 737 CA GLU A 671 7.453 -9.434 -0.626 1.00 0.23 C ATOM 738 C GLU A 671 8.177 -8.104 -0.463 1.00 0.19 C ATOM 739 O GLU A 671 9.398 -8.058 -0.339 1.00 0.21 O ATOM 740 CB GLU A 671 6.930 -9.570 -2.056 1.00 0.30 C ATOM 741 CG GLU A 671 7.996 -9.925 -3.076 1.00 0.38 C ATOM 742 CD GLU A 671 8.436 -11.369 -2.970 1.00 0.99 C ATOM 743 OE1 GLU A 671 9.610 -11.617 -2.635 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.604 -12.266 -3.230 1.00 1.11 O ATOM 0 H GLU A 671 5.430 -9.560 -0.133 1.00 0.22 H new ATOM 0 HA GLU A 671 8.145 -10.251 -0.424 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.154 -10.335 -2.076 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.460 -8.632 -2.350 1.00 0.30 H new ATOM 0 HG2 GLU A 671 7.613 -9.737 -4.079 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.859 -9.274 -2.938 1.00 0.38 H new ATOM 751 N ALA A 672 7.400 -7.025 -0.435 1.00 0.17 N ATOM 752 CA ALA A 672 7.944 -5.684 -0.271 1.00 0.18 C ATOM 753 C ALA A 672 8.743 -5.551 1.024 1.00 0.20 C ATOM 754 O ALA A 672 9.795 -4.912 1.048 1.00 0.23 O ATOM 755 CB ALA A 672 6.824 -4.658 -0.307 1.00 0.21 C ATOM 0 H ALA A 672 6.384 -7.056 -0.525 1.00 0.17 H new ATOM 0 HA ALA A 672 8.628 -5.500 -1.099 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.242 -3.659 -0.183 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.306 -4.719 -1.264 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.120 -4.859 0.501 1.00 0.21 H new ATOM 761 N GLU A 673 8.248 -6.163 2.096 1.00 0.22 N ATOM 762 CA GLU A 673 8.932 -6.120 3.379 1.00 0.28 C ATOM 763 C GLU A 673 10.229 -6.911 3.305 1.00 0.28 C ATOM 764 O GLU A 673 11.254 -6.490 3.849 1.00 0.31 O ATOM 765 CB GLU A 673 8.039 -6.660 4.500 1.00 0.34 C ATOM 766 CG GLU A 673 8.666 -6.549 5.882 1.00 0.70 C ATOM 767 CD GLU A 673 7.718 -6.955 6.990 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.887 -6.120 7.401 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.794 -8.110 7.455 1.00 1.76 O ATOM 0 H GLU A 673 7.377 -6.693 2.099 1.00 0.22 H new ATOM 0 HA GLU A 673 9.163 -5.080 3.608 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.094 -6.117 4.494 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.808 -7.706 4.298 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.556 -7.176 5.924 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.992 -5.522 6.047 1.00 0.70 H new ATOM 776 N MET A 674 10.192 -8.046 2.608 1.00 0.27 N ATOM 777 CA MET A 674 11.396 -8.845 2.404 1.00 0.31 C ATOM 778 C MET A 674 12.374 -8.105 1.501 1.00 0.29 C ATOM 779 O MET A 674 13.585 -8.267 1.622 1.00 0.34 O ATOM 780 CB MET A 674 11.073 -10.217 1.801 1.00 0.36 C ATOM 781 CG MET A 674 10.306 -11.139 2.734 1.00 0.54 C ATOM 782 SD MET A 674 10.294 -12.849 2.157 1.00 0.60 S ATOM 783 CE MET A 674 9.524 -12.669 0.551 1.00 0.79 C ATOM 0 H MET A 674 9.349 -8.429 2.179 1.00 0.27 H new ATOM 0 HA MET A 674 11.851 -9.005 3.382 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.492 -10.074 0.890 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.005 -10.703 1.512 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.751 -11.097 3.728 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.280 -10.783 2.829 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.335 -13.655 0.126 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.581 -12.133 0.658 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.187 -12.110 -0.110 1.00 0.79 H new ATOM 793 N LEU A 675 11.849 -7.279 0.609 1.00 0.26 N ATOM 794 CA LEU A 675 12.681 -6.490 -0.287 1.00 0.27 C ATOM 795 C LEU A 675 13.222 -5.254 0.421 1.00 0.30 C ATOM 796 O LEU A 675 14.267 -4.732 0.057 1.00 0.39 O ATOM 797 CB LEU A 675 11.885 -6.067 -1.532 1.00 0.27 C ATOM 798 CG LEU A 675 12.071 -6.934 -2.786 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.499 -6.844 -3.296 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.692 -8.384 -2.519 1.00 0.47 C ATOM 0 H LEU A 675 10.846 -7.137 0.486 1.00 0.26 H new ATOM 0 HA LEU A 675 13.521 -7.112 -0.596 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.826 -6.060 -1.275 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.159 -5.042 -1.781 1.00 0.27 H new ATOM 0 HG LEU A 675 11.402 -6.548 -3.556 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.608 -7.466 -4.185 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.731 -5.809 -3.547 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.184 -7.193 -2.523 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.835 -8.971 -3.427 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.322 -8.785 -1.725 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.647 -8.437 -2.214 1.00 0.47 H new ATOM 812 N PHE A 676 12.505 -4.778 1.427 1.00 0.30 N ATOM 813 CA PHE A 676 12.942 -3.603 2.166 1.00 0.37 C ATOM 814 C PHE A 676 14.023 -3.963 3.177 1.00 0.42 C ATOM 815 O PHE A 676 15.154 -3.483 3.087 1.00 0.46 O ATOM 816 CB PHE A 676 11.759 -2.933 2.878 1.00 0.44 C ATOM 817 CG PHE A 676 12.110 -1.614 3.513 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.857 -1.392 4.858 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.694 -0.601 2.770 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.181 -0.187 5.448 1.00 0.78 C ATOM 821 CE2 PHE A 676 13.019 0.607 3.357 1.00 0.82 C ATOM 822 CZ PHE A 676 12.753 0.828 4.673 1.00 0.82 C ATOM 0 H PHE A 676 11.626 -5.182 1.749 1.00 0.30 H new ATOM 0 HA PHE A 676 13.361 -2.899 1.447 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.953 -2.779 2.160 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.378 -3.607 3.645 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.401 -2.171 5.451 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.897 -0.757 1.721 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.994 -0.029 6.500 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.487 1.381 2.767 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.983 1.785 5.118 1.00 0.82 H new ATOM 944 N ASP A 685 16.196 -3.796 -1.519 1.00 0.36 N ATOM 945 CA ASP A 685 16.191 -2.774 -2.550 1.00 0.32 C ATOM 946 C ASP A 685 15.017 -1.828 -2.329 1.00 0.27 C ATOM 947 O ASP A 685 13.882 -2.158 -2.672 1.00 0.26 O ATOM 948 CB ASP A 685 16.083 -3.418 -3.935 1.00 0.35 C ATOM 949 CG ASP A 685 16.205 -2.403 -5.048 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.340 -2.068 -5.433 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.159 -1.936 -5.545 1.00 1.68 O ATOM 0 HA ASP A 685 17.124 -2.213 -2.495 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.863 -4.171 -4.045 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.127 -3.935 -4.020 1.00 0.35 H new ATOM 956 N PRO A 686 15.271 -0.649 -1.724 1.00 0.29 N ATOM 957 CA PRO A 686 14.223 0.345 -1.434 1.00 0.29 C ATOM 958 C PRO A 686 13.361 0.690 -2.651 1.00 0.25 C ATOM 959 O PRO A 686 12.167 0.960 -2.516 1.00 0.25 O ATOM 960 CB PRO A 686 15.016 1.573 -0.976 1.00 0.37 C ATOM 961 CG PRO A 686 16.271 1.011 -0.405 1.00 0.42 C ATOM 962 CD PRO A 686 16.597 -0.199 -1.247 1.00 0.37 C ATOM 0 HA PRO A 686 13.514 -0.030 -0.696 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.224 2.245 -1.809 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.464 2.148 -0.233 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.079 1.742 -0.440 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.136 0.735 0.641 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.258 0.054 -2.076 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.098 -0.972 -0.664 1.00 0.37 H new ATOM 970 N GLN A 687 13.957 0.656 -3.837 1.00 0.25 N ATOM 971 CA GLN A 687 13.237 0.992 -5.060 1.00 0.27 C ATOM 972 C GLN A 687 12.160 -0.051 -5.351 1.00 0.23 C ATOM 973 O GLN A 687 10.970 0.283 -5.471 1.00 0.24 O ATOM 974 CB GLN A 687 14.211 1.100 -6.238 1.00 0.35 C ATOM 975 CG GLN A 687 13.546 1.378 -7.580 1.00 0.65 C ATOM 976 CD GLN A 687 12.739 2.661 -7.592 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.270 3.736 -7.864 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.446 2.558 -7.323 1.00 1.23 N ATOM 0 H GLN A 687 14.934 0.400 -3.978 1.00 0.25 H new ATOM 0 HA GLN A 687 12.751 1.958 -4.922 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.928 1.895 -6.030 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.777 0.172 -6.312 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.312 1.431 -8.354 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.893 0.543 -7.834 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.042 1.648 -7.102 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.854 3.389 -7.337 1.00 1.23 H new ATOM 987 N ARG A 688 12.564 -1.314 -5.423 1.00 0.22 N ATOM 988 CA ARG A 688 11.624 -2.385 -5.699 1.00 0.23 C ATOM 989 C ARG A 688 10.695 -2.567 -4.514 1.00 0.18 C ATOM 990 O ARG A 688 9.530 -2.923 -4.676 1.00 0.20 O ATOM 991 CB ARG A 688 12.348 -3.700 -5.999 1.00 0.29 C ATOM 992 CG ARG A 688 11.414 -4.791 -6.492 1.00 0.70 C ATOM 993 CD ARG A 688 12.123 -6.122 -6.656 1.00 0.78 C ATOM 994 NE ARG A 688 11.215 -7.153 -7.152 1.00 1.67 N ATOM 995 CZ ARG A 688 11.401 -8.462 -6.993 1.00 2.16 C ATOM 996 NH1 ARG A 688 12.485 -8.918 -6.379 1.00 1.85 N ATOM 997 NH2 ARG A 688 10.503 -9.316 -7.465 1.00 3.24 N ATOM 0 H ARG A 688 13.530 -1.617 -5.295 1.00 0.22 H new ATOM 0 HA ARG A 688 11.046 -2.111 -6.581 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.118 -3.522 -6.750 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.855 -4.043 -5.097 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.589 -4.905 -5.789 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.981 -4.492 -7.447 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.958 -6.008 -7.347 1.00 0.78 H new ATOM 0 HD3 ARG A 688 12.541 -6.433 -5.699 1.00 0.78 H new ATOM 0 HE ARG A 688 10.381 -6.849 -7.655 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.183 -8.264 -6.025 1.00 1.85 H new ATOM 0 HH12 ARG A 688 12.620 -9.922 -6.261 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.674 -8.969 -7.948 1.00 3.24 H new ATOM 0 HH22 ARG A 688 10.641 -10.319 -7.346 1.00 3.24 H new ATOM 1011 N SER A 689 11.219 -2.313 -3.322 1.00 0.16 N ATOM 1012 CA SER A 689 10.421 -2.369 -2.114 1.00 0.17 C ATOM 1013 C SER A 689 9.214 -1.454 -2.233 1.00 0.15 C ATOM 1014 O SER A 689 8.077 -1.891 -2.038 1.00 0.16 O ATOM 1015 CB SER A 689 11.253 -1.973 -0.898 1.00 0.21 C ATOM 1016 OG SER A 689 10.508 -2.120 0.295 1.00 1.11 O ATOM 0 H SER A 689 12.197 -2.066 -3.170 1.00 0.16 H new ATOM 0 HA SER A 689 10.077 -3.395 -1.983 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.150 -2.591 -0.850 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.583 -0.939 -1.000 1.00 0.21 H new ATOM 0 HG SER A 689 10.202 -3.047 0.378 1.00 1.11 H new ATOM 1022 N GLY A 690 9.443 -0.194 -2.598 1.00 0.16 N ATOM 1023 CA GLY A 690 8.352 0.742 -2.702 1.00 0.18 C ATOM 1024 C GLY A 690 7.467 0.437 -3.886 1.00 0.17 C ATOM 1025 O GLY A 690 6.265 0.692 -3.852 1.00 0.19 O ATOM 0 H GLY A 690 10.362 0.187 -2.821 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.759 0.713 -1.788 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.748 1.754 -2.794 1.00 0.18 H new ATOM 1029 N ASP A 691 8.059 -0.121 -4.936 1.00 0.17 N ATOM 1030 CA ASP A 691 7.287 -0.522 -6.109 1.00 0.20 C ATOM 1031 C ASP A 691 6.314 -1.640 -5.732 1.00 0.18 C ATOM 1032 O ASP A 691 5.139 -1.623 -6.112 1.00 0.22 O ATOM 1033 CB ASP A 691 8.219 -0.975 -7.238 1.00 0.26 C ATOM 1034 CG ASP A 691 7.477 -1.213 -8.534 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.740 -0.312 -8.976 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.624 -2.308 -9.116 1.00 1.54 O ATOM 0 H ASP A 691 9.060 -0.305 -5.001 1.00 0.17 H new ATOM 0 HA ASP A 691 6.716 0.335 -6.466 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.989 -0.219 -7.396 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.728 -1.891 -6.940 1.00 0.26 H new ATOM 1041 N LEU A 692 6.795 -2.589 -4.942 1.00 0.16 N ATOM 1042 CA LEU A 692 5.957 -3.674 -4.458 1.00 0.16 C ATOM 1043 C LEU A 692 4.949 -3.161 -3.436 1.00 0.15 C ATOM 1044 O LEU A 692 3.814 -3.631 -3.390 1.00 0.16 O ATOM 1045 CB LEU A 692 6.819 -4.783 -3.852 1.00 0.20 C ATOM 1046 CG LEU A 692 7.644 -5.585 -4.858 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.713 -6.395 -4.146 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.738 -6.502 -5.662 1.00 0.73 C ATOM 0 H LEU A 692 7.763 -2.629 -4.623 1.00 0.16 H new ATOM 0 HA LEU A 692 5.406 -4.086 -5.303 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.496 -4.338 -3.123 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.171 -5.470 -3.308 1.00 0.20 H new ATOM 0 HG LEU A 692 8.135 -4.889 -5.538 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.290 -6.959 -4.879 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.376 -5.723 -3.601 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.241 -7.085 -3.446 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.335 -7.069 -6.376 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.227 -7.190 -4.989 1.00 0.73 H new ATOM 0 HD23 LEU A 692 6.001 -5.905 -6.199 1.00 0.73 H new ATOM 1060 N TYR A 693 5.359 -2.186 -2.627 1.00 0.15 N ATOM 1061 CA TYR A 693 4.451 -1.572 -1.659 1.00 0.17 C ATOM 1062 C TYR A 693 3.347 -0.790 -2.364 1.00 0.18 C ATOM 1063 O TYR A 693 2.201 -0.790 -1.919 1.00 0.20 O ATOM 1064 CB TYR A 693 5.197 -0.651 -0.683 1.00 0.21 C ATOM 1065 CG TYR A 693 5.710 -1.347 0.560 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.838 -1.965 1.448 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.070 -1.391 0.841 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.308 -2.605 2.580 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.547 -2.027 1.970 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.642 -2.622 2.850 1.00 1.05 C ATOM 1071 OH TYR A 693 7.138 -3.274 3.957 1.00 1.33 O ATOM 0 H TYR A 693 6.306 -1.806 -2.621 1.00 0.15 H new ATOM 0 HA TYR A 693 4.002 -2.384 -1.087 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.039 -0.195 -1.204 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.531 0.158 -0.384 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.776 -1.945 1.251 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.767 -0.919 0.164 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.616 -3.092 3.251 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.608 -2.064 2.170 1.00 0.96 H new ATOM 0 HH TYR A 693 8.113 -3.178 3.984 1.00 1.33 H new ATOM 1081 N THR A 694 3.681 -0.138 -3.469 1.00 0.19 N ATOM 1082 CA THR A 694 2.685 0.613 -4.217 1.00 0.22 C ATOM 1083 C THR A 694 1.742 -0.337 -4.944 1.00 0.20 C ATOM 1084 O THR A 694 0.535 -0.083 -5.029 1.00 0.21 O ATOM 1085 CB THR A 694 3.321 1.612 -5.207 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.392 0.992 -5.922 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.837 2.841 -4.475 1.00 0.31 C ATOM 0 H THR A 694 4.622 -0.114 -3.863 1.00 0.19 H new ATOM 0 HA THR A 694 2.116 1.200 -3.497 1.00 0.22 H new ATOM 0 HB THR A 694 2.552 1.922 -5.914 1.00 0.26 H new ATOM 0 HG1 THR A 694 4.324 0.018 -5.833 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.281 3.532 -5.192 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.011 3.333 -3.962 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.590 2.541 -3.746 1.00 0.31 H new ATOM 1095 N GLN A 695 2.284 -1.454 -5.434 1.00 0.19 N ATOM 1096 CA GLN A 695 1.448 -2.503 -6.003 1.00 0.20 C ATOM 1097 C GLN A 695 0.538 -3.070 -4.918 1.00 0.17 C ATOM 1098 O GLN A 695 -0.654 -3.307 -5.141 1.00 0.18 O ATOM 1099 CB GLN A 695 2.295 -3.629 -6.608 1.00 0.25 C ATOM 1100 CG GLN A 695 3.047 -3.240 -7.872 1.00 0.85 C ATOM 1101 CD GLN A 695 3.740 -4.426 -8.529 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.175 -5.617 -8.377 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 4.774 -4.274 -9.178 1.00 2.13 N flip ATOM 0 H GLN A 695 3.285 -1.651 -5.447 1.00 0.19 H new ATOM 0 HA GLN A 695 0.849 -2.067 -6.803 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.014 -3.967 -5.862 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.646 -4.475 -6.832 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.351 -2.792 -8.581 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.789 -2.479 -7.629 1.00 0.85 H new ATOM 0 HE21 GLN A 695 5.183 -3.345 -9.276 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.222 -5.077 -9.618 1.00 2.13 H new ATOM 1112 N ALA A 696 1.112 -3.278 -3.736 1.00 0.16 N ATOM 1113 CA ALA A 696 0.356 -3.748 -2.591 1.00 0.16 C ATOM 1114 C ALA A 696 -0.746 -2.765 -2.228 1.00 0.16 C ATOM 1115 O ALA A 696 -1.863 -3.173 -1.914 1.00 0.16 O ATOM 1116 CB ALA A 696 1.270 -3.986 -1.399 1.00 0.18 C ATOM 0 H ALA A 696 2.104 -3.126 -3.551 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.107 -4.697 -2.863 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.680 -4.338 -0.553 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.017 -4.736 -1.658 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.769 -3.055 -1.131 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.451 -1.466 -2.296 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.446 -0.452 -1.993 1.00 0.17 C ATOM 1124 C ALA A 697 -2.559 -0.478 -3.025 1.00 0.16 C ATOM 1125 O ALA A 697 -3.728 -0.287 -2.690 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.812 0.930 -1.938 1.00 0.20 C ATOM 0 H ALA A 697 0.464 -1.099 -2.557 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.870 -0.674 -1.013 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.577 1.672 -1.710 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.046 0.948 -1.163 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.359 1.161 -2.902 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.190 -0.730 -4.278 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.176 -0.874 -5.338 1.00 0.20 C ATOM 1134 C GLU A 698 -4.121 -2.023 -5.015 1.00 0.18 C ATOM 1135 O GLU A 698 -5.343 -1.857 -5.022 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.505 -1.122 -6.693 1.00 0.26 C ATOM 1137 CG GLU A 698 -1.799 0.088 -7.280 1.00 1.02 C ATOM 1138 CD GLU A 698 -1.201 -0.209 -8.638 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -0.013 -0.592 -8.700 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -1.918 -0.072 -9.650 1.00 1.40 O ATOM 0 H GLU A 698 -1.222 -0.838 -4.580 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.739 0.057 -5.402 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.782 -1.930 -6.583 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -3.260 -1.464 -7.400 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -2.506 0.913 -7.368 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -1.012 0.414 -6.600 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.549 -3.178 -4.692 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.340 -4.354 -4.360 1.00 0.18 C ATOM 1149 C ALA A 699 -5.133 -4.140 -3.072 1.00 0.15 C ATOM 1150 O ALA A 699 -6.201 -4.719 -2.883 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.440 -5.573 -4.239 1.00 0.21 C ATOM 0 H ALA A 699 -2.540 -3.323 -4.653 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.055 -4.523 -5.165 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.042 -6.447 -3.990 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.928 -5.743 -5.186 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.703 -5.405 -3.453 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.605 -3.299 -2.192 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.272 -2.989 -0.935 1.00 0.13 C ATOM 1159 C ALA A 700 -6.490 -2.110 -1.172 1.00 0.13 C ATOM 1160 O ALA A 700 -7.584 -2.414 -0.700 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.313 -2.314 0.029 1.00 0.14 C ATOM 0 H ALA A 700 -3.715 -2.819 -2.326 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.606 -3.926 -0.491 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.831 -2.091 0.962 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.473 -2.978 0.231 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.946 -1.388 -0.412 1.00 0.14 H new ATOM 1167 N MET A 701 -6.303 -1.026 -1.915 1.00 0.15 N ATOM 1168 CA MET A 701 -7.402 -0.117 -2.215 1.00 0.20 C ATOM 1169 C MET A 701 -8.426 -0.809 -3.109 1.00 0.23 C ATOM 1170 O MET A 701 -9.618 -0.518 -3.042 1.00 0.28 O ATOM 1171 CB MET A 701 -6.891 1.180 -2.864 1.00 0.27 C ATOM 1172 CG MET A 701 -6.288 1.005 -4.251 1.00 0.44 C ATOM 1173 SD MET A 701 -5.833 2.579 -5.008 1.00 0.74 S ATOM 1174 CE MET A 701 -5.303 2.041 -6.635 1.00 0.76 C ATOM 0 H MET A 701 -5.406 -0.756 -2.319 1.00 0.15 H new ATOM 0 HA MET A 701 -7.887 0.156 -1.278 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.718 1.887 -2.929 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.141 1.626 -2.211 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.405 0.369 -4.183 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.003 0.490 -4.893 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.252 2.292 -6.777 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.433 0.962 -6.722 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.901 2.541 -7.396 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.950 -1.751 -3.919 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.824 -2.570 -4.748 1.00 0.31 C ATOM 1186 C GLU A 702 -9.729 -3.433 -3.872 1.00 0.29 C ATOM 1187 O GLU A 702 -10.913 -3.613 -4.161 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.979 -3.459 -5.664 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.776 -4.488 -6.446 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.892 -5.380 -7.292 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.504 -4.955 -8.401 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.583 -6.512 -6.859 1.00 2.58 O ATOM 0 H GLU A 702 -6.958 -1.965 -4.018 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.449 -1.917 -5.357 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.438 -2.826 -6.367 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.233 -3.976 -5.061 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.350 -5.102 -5.753 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.493 -3.977 -7.088 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.159 -3.942 -2.786 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.876 -4.823 -1.874 1.00 0.32 C ATOM 1201 C ALA A 703 -10.584 -4.030 -0.780 1.00 0.33 C ATOM 1202 O ALA A 703 -10.882 -4.565 0.289 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.918 -5.833 -1.259 1.00 0.39 C ATOM 0 H ALA A 703 -8.193 -3.757 -2.515 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.636 -5.356 -2.446 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.465 -6.486 -0.579 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.463 -6.431 -2.049 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.139 -5.307 -0.708 1.00 0.39 H new ATOM 1209 N MET A 704 -10.826 -2.748 -1.052 1.00 0.33 N ATOM 1210 CA MET A 704 -11.563 -1.868 -0.142 1.00 0.44 C ATOM 1211 C MET A 704 -10.859 -1.755 1.207 1.00 0.41 C ATOM 1212 O MET A 704 -11.495 -1.594 2.249 1.00 0.58 O ATOM 1213 CB MET A 704 -13.002 -2.363 0.049 1.00 0.61 C ATOM 1214 CG MET A 704 -13.768 -2.504 -1.255 1.00 1.01 C ATOM 1215 SD MET A 704 -13.746 -0.995 -2.239 1.00 2.03 S ATOM 1216 CE MET A 704 -14.518 -1.571 -3.747 1.00 2.61 C ATOM 0 H MET A 704 -10.517 -2.289 -1.909 1.00 0.33 H new ATOM 0 HA MET A 704 -11.594 -0.877 -0.594 1.00 0.44 H new ATOM 0 HB2 MET A 704 -12.983 -3.327 0.557 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.533 -1.670 0.701 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.339 -3.319 -1.838 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.801 -2.776 -1.038 1.00 1.01 H new ATOM 0 HE1 MET A 704 -14.579 -0.750 -4.461 1.00 2.61 H new ATOM 0 HE2 MET A 704 -13.925 -2.380 -4.173 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.522 -1.934 -3.526 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.540 -1.843 1.180 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.741 -1.741 2.388 1.00 0.34 C ATOM 1228 C LYS A 705 -8.039 -0.390 2.432 1.00 0.31 C ATOM 1229 O LYS A 705 -6.822 -0.301 2.250 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.714 -2.878 2.451 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.328 -4.269 2.456 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.208 -4.487 3.675 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.733 -5.912 3.734 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.496 -6.275 2.511 1.00 1.59 N ATOM 0 H LYS A 705 -8.997 -1.986 0.328 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.399 -1.826 3.253 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.041 -2.793 1.598 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.108 -2.757 3.349 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -8.918 -4.410 1.551 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.536 -5.017 2.440 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.639 -4.270 4.579 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.046 -3.790 3.650 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -8.898 -6.601 3.858 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -10.374 -6.027 4.608 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -11.381 -6.750 2.782 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.717 -5.414 1.971 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -9.925 -6.916 1.923 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.827 0.658 2.662 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.311 2.018 2.678 1.00 0.47 C ATOM 1250 C GLY A 706 -7.098 2.200 3.575 1.00 0.42 C ATOM 1251 O GLY A 706 -6.073 2.723 3.132 1.00 0.40 O ATOM 0 H GLY A 706 -9.829 0.587 2.840 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -8.047 2.309 1.661 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.101 2.693 3.008 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.202 1.763 4.832 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.104 1.934 5.783 1.00 0.47 C ATOM 1257 C ARG A 707 -4.850 1.216 5.303 1.00 0.38 C ATOM 1258 O ARG A 707 -3.748 1.754 5.391 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.479 1.429 7.181 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.425 1.773 8.222 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.825 1.348 9.624 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.896 1.880 10.623 1.00 2.07 N ATOM 1263 CZ ARG A 707 -4.963 1.631 11.929 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -5.843 0.758 12.408 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -4.115 2.230 12.753 1.00 3.90 N ATOM 0 H ARG A 707 -8.025 1.294 5.211 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.904 3.004 5.845 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.434 1.863 7.477 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.616 0.348 7.150 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.485 1.290 7.955 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.246 2.848 8.210 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.834 1.698 9.839 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -5.845 0.260 9.685 1.00 1.28 H new ATOM 0 HE ARG A 707 -4.143 2.485 10.295 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.476 0.271 11.773 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -5.886 0.575 13.411 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -3.417 2.877 12.385 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -4.160 2.044 13.755 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.026 0.011 4.778 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.903 -0.776 4.286 1.00 0.30 C ATOM 1281 C LEU A 708 -3.225 -0.046 3.138 1.00 0.23 C ATOM 1282 O LEU A 708 -2.007 0.108 3.128 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.358 -2.169 3.828 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.625 -3.202 4.937 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.364 -3.462 5.745 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.759 -2.760 5.852 1.00 1.02 C ATOM 0 H LEU A 708 -5.935 -0.443 4.682 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.194 -0.905 5.103 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.270 -2.055 3.241 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.598 -2.574 3.160 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.928 -4.130 4.453 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.575 -4.195 6.523 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.583 -3.845 5.088 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.028 -2.532 6.204 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.919 -3.514 6.623 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.499 -1.811 6.321 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.671 -2.638 5.268 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.029 0.421 2.188 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.520 1.172 1.046 1.00 0.18 C ATOM 1300 C ALA A 709 -2.746 2.402 1.508 1.00 0.19 C ATOM 1301 O ALA A 709 -1.606 2.622 1.091 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.661 1.568 0.122 1.00 0.21 C ATOM 0 H ALA A 709 -5.041 0.292 2.187 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.834 0.532 0.491 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.265 2.128 -0.725 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.165 0.671 -0.239 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.372 2.189 0.667 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.372 3.188 2.381 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.734 4.366 2.963 1.00 0.29 C ATOM 1310 C ASN A 710 -1.387 4.005 3.588 1.00 0.25 C ATOM 1311 O ASN A 710 -0.361 4.610 3.272 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.661 4.991 4.013 1.00 0.38 C ATOM 1313 CG ASN A 710 -3.041 6.176 4.734 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -3.154 7.314 4.288 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.399 5.922 5.867 1.00 1.45 N ATOM 0 H ASN A 710 -4.327 3.029 2.702 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.552 5.091 2.170 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.583 5.312 3.528 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.933 4.231 4.745 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.980 6.685 6.398 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.325 4.963 6.207 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.397 3.000 4.461 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.183 2.556 5.139 1.00 0.26 C ATOM 1324 C GLN A 711 0.882 2.108 4.143 1.00 0.22 C ATOM 1325 O GLN A 711 2.002 2.609 4.161 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.498 1.413 6.105 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.328 1.827 7.312 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.778 0.641 8.151 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -1.961 -0.514 7.520 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 -1.958 0.759 9.363 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.235 2.477 4.715 1.00 0.25 H new ATOM 0 HA GLN A 711 0.208 3.405 5.699 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.030 0.631 5.563 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.439 0.979 6.454 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.744 2.506 7.934 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.204 2.380 6.973 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -1.808 1.661 9.815 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -2.257 -0.045 9.915 1.00 1.09 H new ATOM 1339 N TYR A 712 0.530 1.161 3.280 1.00 0.20 N ATOM 1340 CA TYR A 712 1.479 0.633 2.303 1.00 0.20 C ATOM 1341 C TYR A 712 2.042 1.734 1.412 1.00 0.20 C ATOM 1342 O TYR A 712 3.213 1.685 1.034 1.00 0.21 O ATOM 1343 CB TYR A 712 0.857 -0.476 1.447 1.00 0.22 C ATOM 1344 CG TYR A 712 0.532 -1.731 2.228 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.432 -2.258 3.146 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.674 -2.388 2.046 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.133 -3.403 3.859 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.979 -3.532 2.753 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.073 -4.036 3.659 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.376 -5.176 4.368 1.00 0.44 O ATOM 0 H TYR A 712 -0.400 0.744 3.236 1.00 0.20 H new ATOM 0 HA TYR A 712 2.302 0.201 2.872 1.00 0.20 H new ATOM 0 HB2 TYR A 712 -0.055 -0.099 0.985 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.543 -0.728 0.639 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.380 -1.765 3.305 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.389 -1.997 1.337 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.842 -3.800 4.570 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.924 -4.030 2.597 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.265 -5.496 4.109 1.00 0.44 H new ATOM 1360 N TYR A 713 1.234 2.738 1.086 1.00 0.21 N ATOM 1361 CA TYR A 713 1.734 3.842 0.278 1.00 0.25 C ATOM 1362 C TYR A 713 2.672 4.717 1.107 1.00 0.23 C ATOM 1363 O TYR A 713 3.731 5.126 0.629 1.00 0.25 O ATOM 1364 CB TYR A 713 0.603 4.690 -0.310 1.00 0.32 C ATOM 1365 CG TYR A 713 1.087 5.610 -1.409 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.630 6.855 -1.115 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.025 5.222 -2.742 1.00 0.96 C ATOM 1368 CE1 TYR A 713 2.095 7.685 -2.112 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.486 6.051 -3.747 1.00 1.50 C ATOM 1370 CZ TYR A 713 2.021 7.280 -3.425 1.00 2.20 C ATOM 1371 OH TYR A 713 2.484 8.110 -4.420 1.00 2.95 O ATOM 0 H TYR A 713 0.254 2.810 1.361 1.00 0.21 H new ATOM 0 HA TYR A 713 2.283 3.409 -0.559 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.173 4.034 -0.704 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.147 5.283 0.483 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.689 7.178 -0.086 1.00 1.81 H new ATOM 0 HD2 TYR A 713 0.610 4.258 -2.996 1.00 0.96 H new ATOM 0 HE1 TYR A 713 2.515 8.648 -1.864 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.427 5.738 -4.779 1.00 1.50 H new ATOM 0 HH TYR A 713 2.361 7.677 -5.291 1.00 2.95 H new ATOM 1381 N GLN A 714 2.295 4.985 2.356 1.00 0.24 N ATOM 1382 CA GLN A 714 3.148 5.752 3.261 1.00 0.28 C ATOM 1383 C GLN A 714 4.436 4.986 3.538 1.00 0.23 C ATOM 1384 O GLN A 714 5.488 5.571 3.809 1.00 0.26 O ATOM 1385 CB GLN A 714 2.422 6.049 4.576 1.00 0.36 C ATOM 1386 CG GLN A 714 3.269 6.827 5.570 1.00 0.65 C ATOM 1387 CD GLN A 714 2.517 7.194 6.837 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.609 6.481 7.267 1.00 1.94 O ATOM 1389 NE2 GLN A 714 2.889 8.311 7.446 1.00 1.98 N ATOM 0 H GLN A 714 1.409 4.684 2.762 1.00 0.24 H new ATOM 0 HA GLN A 714 3.390 6.701 2.782 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.515 6.614 4.362 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.112 5.109 5.032 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.145 6.234 5.834 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.632 7.738 5.094 1.00 0.65 H new ATOM 0 HE21 GLN A 714 3.646 8.875 7.059 1.00 1.98 H new ATOM 0 HE22 GLN A 714 2.419 8.606 8.302 1.00 1.98 H new ATOM 1398 N LYS A 715 4.356 3.674 3.404 1.00 0.21 N ATOM 1399 CA LYS A 715 5.494 2.816 3.655 1.00 0.22 C ATOM 1400 C LYS A 715 6.367 2.776 2.409 1.00 0.20 C ATOM 1401 O LYS A 715 7.591 2.701 2.499 1.00 0.23 O ATOM 1402 CB LYS A 715 5.031 1.407 4.051 1.00 0.27 C ATOM 1403 CG LYS A 715 6.163 0.415 4.283 1.00 0.61 C ATOM 1404 CD LYS A 715 7.062 0.832 5.437 1.00 0.86 C ATOM 1405 CE LYS A 715 8.139 -0.207 5.714 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.566 -1.508 6.160 1.00 1.67 N ATOM 0 H LYS A 715 3.509 3.180 3.121 1.00 0.21 H new ATOM 0 HA LYS A 715 6.076 3.214 4.486 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.433 1.476 4.960 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.379 1.019 3.269 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.745 -0.570 4.488 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.758 0.326 3.374 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.530 1.789 5.206 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.459 0.980 6.333 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.731 -0.363 4.812 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.817 0.171 6.479 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.224 -1.969 6.820 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.657 -1.342 6.637 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.416 -2.123 5.334 1.00 1.67 H new ATOM 1420 N ALA A 716 5.724 2.836 1.248 1.00 0.17 N ATOM 1421 CA ALA A 716 6.431 2.984 -0.014 1.00 0.18 C ATOM 1422 C ALA A 716 7.209 4.291 -0.018 1.00 0.21 C ATOM 1423 O ALA A 716 8.403 4.326 -0.343 1.00 0.25 O ATOM 1424 CB ALA A 716 5.448 2.955 -1.177 1.00 0.21 C ATOM 0 H ALA A 716 4.709 2.784 1.157 1.00 0.17 H new ATOM 0 HA ALA A 716 7.128 2.154 -0.128 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.991 3.067 -2.115 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.914 2.005 -1.178 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.735 3.772 -1.071 1.00 0.21 H new ATOM 1430 N GLU A 717 6.522 5.360 0.363 1.00 0.24 N ATOM 1431 CA GLU A 717 7.136 6.667 0.469 1.00 0.32 C ATOM 1432 C GLU A 717 8.269 6.651 1.482 1.00 0.31 C ATOM 1433 O GLU A 717 9.332 7.200 1.222 1.00 0.33 O ATOM 1434 CB GLU A 717 6.093 7.715 0.851 1.00 0.45 C ATOM 1435 CG GLU A 717 5.109 8.028 -0.265 1.00 1.26 C ATOM 1436 CD GLU A 717 5.760 8.754 -1.426 1.00 1.60 C ATOM 1437 OE1 GLU A 717 5.466 9.952 -1.624 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.575 8.140 -2.142 1.00 2.04 O ATOM 0 H GLU A 717 5.531 5.341 0.605 1.00 0.24 H new ATOM 0 HA GLU A 717 7.553 6.929 -0.504 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.541 7.365 1.723 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.603 8.633 1.143 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.665 7.100 -0.624 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.297 8.638 0.131 1.00 1.26 H new ATOM 1445 N GLU A 718 8.041 6.013 2.628 1.00 0.31 N ATOM 1446 CA GLU A 718 9.082 5.866 3.641 1.00 0.36 C ATOM 1447 C GLU A 718 10.280 5.104 3.072 1.00 0.33 C ATOM 1448 O GLU A 718 11.429 5.496 3.282 1.00 0.36 O ATOM 1449 CB GLU A 718 8.535 5.141 4.872 1.00 0.43 C ATOM 1450 CG GLU A 718 9.529 5.039 6.022 1.00 1.06 C ATOM 1451 CD GLU A 718 8.948 4.344 7.236 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.042 4.919 7.875 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.398 3.228 7.568 1.00 2.20 O ATOM 0 H GLU A 718 7.147 5.591 2.877 1.00 0.31 H new ATOM 0 HA GLU A 718 9.410 6.862 3.939 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.643 5.661 5.221 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.226 4.137 4.582 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.413 4.497 5.686 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.857 6.040 6.303 1.00 1.06 H new ATOM 1460 N ALA A 719 10.001 4.025 2.345 1.00 0.28 N ATOM 1461 CA ALA A 719 11.048 3.222 1.724 1.00 0.29 C ATOM 1462 C ALA A 719 11.922 4.074 0.811 1.00 0.30 C ATOM 1463 O ALA A 719 13.151 4.073 0.934 1.00 0.37 O ATOM 1464 CB ALA A 719 10.441 2.062 0.945 1.00 0.28 C ATOM 0 H ALA A 719 9.055 3.687 2.172 1.00 0.28 H new ATOM 0 HA ALA A 719 11.677 2.818 2.517 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.237 1.474 0.489 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.866 1.430 1.622 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.785 2.451 0.166 1.00 0.28 H new ATOM 1470 N TRP A 720 11.284 4.812 -0.092 1.00 0.26 N ATOM 1471 CA TRP A 720 12.014 5.669 -1.024 1.00 0.28 C ATOM 1472 C TRP A 720 12.639 6.869 -0.316 1.00 0.33 C ATOM 1473 O TRP A 720 13.706 7.334 -0.702 1.00 0.36 O ATOM 1474 CB TRP A 720 11.109 6.153 -2.162 1.00 0.29 C ATOM 1475 CG TRP A 720 10.669 5.064 -3.098 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.375 3.946 -3.446 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.434 5.000 -3.826 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.651 3.190 -4.334 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.460 3.815 -4.585 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.309 5.826 -3.906 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.407 3.440 -5.416 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.265 5.452 -4.730 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.319 4.268 -5.475 1.00 0.45 C ATOM 0 H TRP A 720 10.270 4.835 -0.199 1.00 0.26 H new ATOM 0 HA TRP A 720 12.815 5.063 -1.446 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.227 6.628 -1.734 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.637 6.917 -2.733 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.358 3.695 -3.076 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.952 2.305 -4.741 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.257 6.740 -3.334 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.448 2.528 -5.993 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.392 6.084 -4.801 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.486 4.003 -6.109 1.00 0.45 H new