USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=14 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 -15:sc= -3.17! USER MOD Set 1.2: A 666 MET CE :methyl -146:sc= 0 (180deg=-0.0107) USER MOD Single : A 667 MET CE :methyl 166:sc= -0.32 (180deg=-0.617) USER MOD Single : A 674 MET CE :methyl 158:sc= -0.193 (180deg=-0.771) USER MOD Single : A 687 GLN : amide:sc= -0.485 K(o=-0.49,f=-1.6) USER MOD Single : A 689 SER OG : rot 56:sc= 0.927 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -90:sc= 1.13 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.0238 F(o=-1.4!,f=-0.024) USER MOD Single : A 701 MET CE :methyl -126:sc=-0.00163 (180deg=-1.83) USER MOD Single : A 704 MET CE :methyl -159:sc= -0.298 (180deg=-0.997) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 711 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 67:sc= 0.734 USER MOD Single : A 714 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 715 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.924 -8.235 -1.176 1.00 0.30 N ATOM 629 CA TYR A 665 -1.986 -7.174 -0.832 1.00 0.25 C ATOM 630 C TYR A 665 -0.982 -7.626 0.222 1.00 0.22 C ATOM 631 O TYR A 665 0.148 -7.153 0.250 1.00 0.22 O ATOM 632 CB TYR A 665 -2.748 -5.942 -0.338 1.00 0.27 C ATOM 633 CG TYR A 665 -3.676 -6.220 0.823 1.00 0.35 C ATOM 634 CD1 TYR A 665 -4.988 -6.609 0.604 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.239 -6.096 2.134 1.00 0.42 C ATOM 636 CE1 TYR A 665 -5.841 -6.863 1.655 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.088 -6.349 3.194 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.372 -6.732 2.959 1.00 0.64 C ATOM 639 OH TYR A 665 -6.238 -6.984 3.991 1.00 0.81 O ATOM 0 HA TYR A 665 -1.427 -6.920 -1.733 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.030 -5.178 -0.041 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.328 -5.531 -1.164 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.348 -6.715 -0.409 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.220 -5.797 2.329 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.862 -7.161 1.469 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -3.733 -6.243 4.208 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.157 -6.998 3.651 1.00 0.81 H new ATOM 649 N MET A 666 -1.390 -8.559 1.071 1.00 0.25 N ATOM 650 CA MET A 666 -0.528 -9.031 2.145 1.00 0.28 C ATOM 651 C MET A 666 0.629 -9.842 1.585 1.00 0.25 C ATOM 652 O MET A 666 1.736 -9.803 2.117 1.00 0.25 O ATOM 653 CB MET A 666 -1.322 -9.853 3.165 1.00 0.37 C ATOM 654 CG MET A 666 -2.212 -9.004 4.063 1.00 0.48 C ATOM 655 SD MET A 666 -3.127 -9.976 5.274 1.00 1.17 S ATOM 656 CE MET A 666 -4.099 -8.693 6.061 1.00 1.14 C ATOM 0 H MET A 666 -2.308 -9.002 1.037 1.00 0.25 H new ATOM 0 HA MET A 666 -0.120 -8.160 2.659 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.939 -10.578 2.635 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.627 -10.419 3.785 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.597 -8.270 4.584 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.917 -8.448 3.445 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.230 -8.931 7.117 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.584 -7.737 5.966 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.075 -8.629 5.580 1.00 1.14 H new ATOM 666 N MET A 667 0.377 -10.548 0.492 1.00 0.26 N ATOM 667 CA MET A 667 1.425 -11.305 -0.174 1.00 0.27 C ATOM 668 C MET A 667 2.393 -10.344 -0.846 1.00 0.23 C ATOM 669 O MET A 667 3.615 -10.489 -0.738 1.00 0.23 O ATOM 670 CB MET A 667 0.825 -12.257 -1.212 1.00 0.34 C ATOM 671 CG MET A 667 1.862 -13.095 -1.953 1.00 0.47 C ATOM 672 SD MET A 667 1.142 -14.123 -3.249 1.00 1.20 S ATOM 673 CE MET A 667 0.512 -12.874 -4.367 1.00 1.10 C ATOM 0 H MET A 667 -0.540 -10.612 0.050 1.00 0.26 H new ATOM 0 HA MET A 667 1.958 -11.900 0.568 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.121 -12.924 -0.715 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.256 -11.676 -1.938 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.608 -12.434 -2.394 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.384 -13.732 -1.239 1.00 0.47 H new ATOM 0 HE1 MET A 667 0.264 -13.334 -5.324 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.382 -12.421 -3.939 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.270 -12.106 -4.519 1.00 1.10 H new ATOM 683 N LEU A 668 1.832 -9.344 -1.517 1.00 0.21 N ATOM 684 CA LEU A 668 2.634 -8.331 -2.196 1.00 0.19 C ATOM 685 C LEU A 668 3.443 -7.518 -1.189 1.00 0.17 C ATOM 686 O LEU A 668 4.596 -7.162 -1.445 1.00 0.17 O ATOM 687 CB LEU A 668 1.750 -7.396 -3.034 1.00 0.21 C ATOM 688 CG LEU A 668 1.384 -7.897 -4.440 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.633 -9.218 -4.388 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.559 -6.852 -5.174 1.00 0.80 C ATOM 0 H LEU A 668 0.824 -9.213 -1.606 1.00 0.21 H new ATOM 0 HA LEU A 668 3.322 -8.848 -2.865 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.827 -7.211 -2.484 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.260 -6.438 -3.133 1.00 0.21 H new ATOM 0 HG LEU A 668 2.314 -8.065 -4.983 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.392 -9.540 -5.401 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.256 -9.972 -3.907 1.00 0.82 H new ATOM 0 HD13 LEU A 668 -0.288 -9.091 -3.819 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.307 -7.220 -6.168 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.357 -6.655 -4.617 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.135 -5.931 -5.263 1.00 0.80 H new ATOM 702 N ALA A 669 2.854 -7.263 -0.027 1.00 0.18 N ATOM 703 CA ALA A 669 3.510 -6.470 0.998 1.00 0.19 C ATOM 704 C ALA A 669 4.552 -7.305 1.726 1.00 0.20 C ATOM 705 O ALA A 669 5.582 -6.793 2.149 1.00 0.22 O ATOM 706 CB ALA A 669 2.491 -5.917 1.981 1.00 0.23 C ATOM 0 H ALA A 669 1.923 -7.595 0.226 1.00 0.18 H new ATOM 0 HA ALA A 669 4.011 -5.631 0.516 1.00 0.19 H new ATOM 0 HB1 ALA A 669 3.002 -5.326 2.741 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.778 -5.287 1.450 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.961 -6.741 2.458 1.00 0.23 H new ATOM 712 N ARG A 670 4.279 -8.598 1.862 1.00 0.22 N ATOM 713 CA ARG A 670 5.228 -9.517 2.467 1.00 0.26 C ATOM 714 C ARG A 670 6.470 -9.619 1.589 1.00 0.23 C ATOM 715 O ARG A 670 7.598 -9.619 2.084 1.00 0.25 O ATOM 716 CB ARG A 670 4.576 -10.889 2.654 1.00 0.33 C ATOM 717 CG ARG A 670 5.396 -11.871 3.473 1.00 0.41 C ATOM 718 CD ARG A 670 4.547 -13.054 3.913 1.00 0.83 C ATOM 719 NE ARG A 670 3.392 -12.624 4.702 1.00 1.62 N ATOM 720 CZ ARG A 670 2.349 -13.398 5.000 1.00 2.33 C ATOM 721 NH1 ARG A 670 2.314 -14.666 4.606 1.00 2.41 N ATOM 722 NH2 ARG A 670 1.336 -12.898 5.696 1.00 3.33 N ATOM 0 H ARG A 670 3.406 -9.031 1.560 1.00 0.22 H new ATOM 0 HA ARG A 670 5.526 -9.144 3.447 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.607 -10.754 3.135 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.386 -11.324 1.673 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.242 -12.225 2.884 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.806 -11.367 4.348 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.205 -13.603 3.036 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.156 -13.740 4.502 1.00 0.83 H new ATOM 0 HE ARG A 670 3.385 -11.665 5.048 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.090 -15.055 4.070 1.00 2.41 H new ATOM 0 HH12 ARG A 670 1.511 -15.250 4.839 1.00 2.41 H new ATOM 0 HH21 ARG A 670 1.358 -11.925 6.001 1.00 3.33 H new ATOM 0 HH22 ARG A 670 0.536 -13.487 5.926 1.00 3.33 H new ATOM 736 N GLU A 671 6.248 -9.658 0.276 1.00 0.22 N ATOM 737 CA GLU A 671 7.337 -9.659 -0.691 1.00 0.23 C ATOM 738 C GLU A 671 8.107 -8.346 -0.573 1.00 0.19 C ATOM 739 O GLU A 671 9.336 -8.330 -0.468 1.00 0.21 O ATOM 740 CB GLU A 671 6.759 -9.819 -2.105 1.00 0.30 C ATOM 741 CG GLU A 671 7.800 -9.944 -3.205 1.00 0.38 C ATOM 742 CD GLU A 671 8.650 -11.187 -3.072 1.00 0.99 C ATOM 743 OE1 GLU A 671 9.882 -11.061 -2.958 1.00 1.89 O ATOM 744 OE2 GLU A 671 8.085 -12.302 -3.078 1.00 1.11 O ATOM 0 H GLU A 671 5.318 -9.689 -0.141 1.00 0.22 H new ATOM 0 HA GLU A 671 8.016 -10.488 -0.494 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.121 -10.703 -2.125 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.122 -8.962 -2.322 1.00 0.30 H new ATOM 0 HG2 GLU A 671 7.299 -9.954 -4.173 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.445 -9.065 -3.189 1.00 0.38 H new ATOM 751 N ALA A 672 7.358 -7.250 -0.555 1.00 0.17 N ATOM 752 CA ALA A 672 7.928 -5.919 -0.394 1.00 0.18 C ATOM 753 C ALA A 672 8.746 -5.808 0.888 1.00 0.20 C ATOM 754 O ALA A 672 9.817 -5.207 0.896 1.00 0.23 O ATOM 755 CB ALA A 672 6.825 -4.875 -0.403 1.00 0.21 C ATOM 0 H ALA A 672 6.343 -7.259 -0.651 1.00 0.17 H new ATOM 0 HA ALA A 672 8.601 -5.741 -1.233 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.261 -3.884 -0.282 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.287 -4.922 -1.350 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.133 -5.069 0.417 1.00 0.21 H new ATOM 761 N GLU A 673 8.245 -6.398 1.966 1.00 0.22 N ATOM 762 CA GLU A 673 8.923 -6.336 3.251 1.00 0.28 C ATOM 763 C GLU A 673 10.207 -7.154 3.210 1.00 0.28 C ATOM 764 O GLU A 673 11.203 -6.794 3.844 1.00 0.31 O ATOM 765 CB GLU A 673 8.004 -6.828 4.369 1.00 0.34 C ATOM 766 CG GLU A 673 8.551 -6.572 5.762 1.00 0.70 C ATOM 767 CD GLU A 673 7.525 -6.823 6.844 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.688 -5.930 7.097 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.550 -7.917 7.448 1.00 1.76 O ATOM 0 H GLU A 673 7.371 -6.924 1.974 1.00 0.22 H new ATOM 0 HA GLU A 673 9.181 -5.297 3.457 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.035 -6.339 4.273 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.835 -7.898 4.245 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.417 -7.212 5.932 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.899 -5.541 5.828 1.00 0.70 H new ATOM 776 N MET A 674 10.190 -8.245 2.449 1.00 0.27 N ATOM 777 CA MET A 674 11.387 -9.061 2.272 1.00 0.31 C ATOM 778 C MET A 674 12.427 -8.302 1.459 1.00 0.29 C ATOM 779 O MET A 674 13.625 -8.489 1.646 1.00 0.34 O ATOM 780 CB MET A 674 11.067 -10.396 1.592 1.00 0.36 C ATOM 781 CG MET A 674 10.158 -11.299 2.407 1.00 0.54 C ATOM 782 SD MET A 674 9.955 -12.933 1.671 1.00 0.60 S ATOM 783 CE MET A 674 11.626 -13.567 1.800 1.00 0.79 C ATOM 0 H MET A 674 9.368 -8.582 1.949 1.00 0.27 H new ATOM 0 HA MET A 674 11.787 -9.276 3.263 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.597 -10.198 0.628 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.000 -10.923 1.390 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.566 -11.406 3.412 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.181 -10.827 2.508 1.00 0.54 H new ATOM 0 HE1 MET A 674 11.606 -14.656 1.764 1.00 0.79 H new ATOM 0 HE2 MET A 674 12.224 -13.188 0.971 1.00 0.79 H new ATOM 0 HE3 MET A 674 12.066 -13.243 2.743 1.00 0.79 H new ATOM 793 N LEU A 675 11.964 -7.439 0.560 1.00 0.26 N ATOM 794 CA LEU A 675 12.859 -6.587 -0.217 1.00 0.27 C ATOM 795 C LEU A 675 13.354 -5.413 0.616 1.00 0.30 C ATOM 796 O LEU A 675 14.494 -4.976 0.475 1.00 0.39 O ATOM 797 CB LEU A 675 12.147 -6.054 -1.471 1.00 0.27 C ATOM 798 CG LEU A 675 12.340 -6.864 -2.759 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.797 -6.845 -3.191 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.852 -8.294 -2.590 1.00 0.47 C ATOM 0 H LEU A 675 10.974 -7.311 0.351 1.00 0.26 H new ATOM 0 HA LEU A 675 13.713 -7.194 -0.517 1.00 0.27 H new ATOM 0 HB2 LEU A 675 11.079 -5.997 -1.260 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.491 -5.036 -1.653 1.00 0.27 H new ATOM 0 HG LEU A 675 11.741 -6.396 -3.540 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.913 -7.425 -4.106 1.00 0.53 H new ATOM 0 HD12 LEU A 675 14.110 -5.816 -3.371 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.415 -7.280 -2.405 1.00 0.53 H new ATOM 0 HD21 LEU A 675 12.002 -8.842 -3.520 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.412 -8.777 -1.789 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.791 -8.289 -2.339 1.00 0.47 H new ATOM 812 N PHE A 676 12.488 -4.904 1.479 1.00 0.30 N ATOM 813 CA PHE A 676 12.805 -3.725 2.271 1.00 0.37 C ATOM 814 C PHE A 676 13.790 -4.057 3.387 1.00 0.42 C ATOM 815 O PHE A 676 14.783 -3.351 3.577 1.00 0.46 O ATOM 816 CB PHE A 676 11.524 -3.111 2.853 1.00 0.44 C ATOM 817 CG PHE A 676 11.730 -1.765 3.494 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.456 -1.579 4.841 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.206 -0.689 2.758 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.651 -0.349 5.440 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.401 0.544 3.354 1.00 0.82 C ATOM 822 CZ PHE A 676 12.098 0.732 4.663 1.00 0.82 C ATOM 0 H PHE A 676 11.559 -5.289 1.649 1.00 0.30 H new ATOM 0 HA PHE A 676 13.277 -2.996 1.613 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.785 -3.014 2.058 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.108 -3.795 3.593 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.086 -2.406 5.429 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.427 -0.816 1.708 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.461 -0.220 6.495 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.798 1.363 2.773 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.200 1.711 5.107 1.00 0.82 H new ATOM 944 N ASP A 685 16.472 -3.564 -1.292 1.00 0.36 N ATOM 945 CA ASP A 685 16.454 -2.541 -2.329 1.00 0.32 C ATOM 946 C ASP A 685 15.239 -1.636 -2.154 1.00 0.27 C ATOM 947 O ASP A 685 14.122 -2.022 -2.505 1.00 0.26 O ATOM 948 CB ASP A 685 16.420 -3.174 -3.724 1.00 0.35 C ATOM 949 CG ASP A 685 16.398 -2.126 -4.820 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.462 -1.537 -5.103 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.321 -1.881 -5.397 1.00 1.68 O ATOM 0 HA ASP A 685 17.366 -1.951 -2.234 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.292 -3.816 -3.853 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.540 -3.810 -3.813 1.00 0.35 H new ATOM 956 N PRO A 686 15.435 -0.424 -1.600 1.00 0.29 N ATOM 957 CA PRO A 686 14.338 0.520 -1.330 1.00 0.29 C ATOM 958 C PRO A 686 13.495 0.829 -2.565 1.00 0.25 C ATOM 959 O PRO A 686 12.296 1.093 -2.459 1.00 0.25 O ATOM 960 CB PRO A 686 15.057 1.789 -0.861 1.00 0.37 C ATOM 961 CG PRO A 686 16.364 1.315 -0.332 1.00 0.42 C ATOM 962 CD PRO A 686 16.743 0.118 -1.170 1.00 0.37 C ATOM 0 HA PRO A 686 13.637 0.108 -0.604 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.195 2.492 -1.683 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.484 2.307 -0.092 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.120 2.097 -0.404 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.284 1.045 0.721 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.360 0.403 -2.022 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.312 -0.612 -0.594 1.00 0.37 H new ATOM 970 N GLN A 687 14.120 0.776 -3.735 1.00 0.25 N ATOM 971 CA GLN A 687 13.441 1.120 -4.973 1.00 0.27 C ATOM 972 C GLN A 687 12.361 0.083 -5.280 1.00 0.23 C ATOM 973 O GLN A 687 11.183 0.427 -5.432 1.00 0.24 O ATOM 974 CB GLN A 687 14.459 1.226 -6.119 1.00 0.35 C ATOM 975 CG GLN A 687 13.963 2.013 -7.329 1.00 0.65 C ATOM 976 CD GLN A 687 12.961 1.250 -8.173 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.033 0.026 -8.287 1.00 2.21 O ATOM 978 NE2 GLN A 687 12.008 1.962 -8.757 1.00 1.23 N ATOM 0 H GLN A 687 15.095 0.498 -3.850 1.00 0.25 H new ATOM 0 HA GLN A 687 12.956 2.090 -4.864 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.366 1.697 -5.741 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.732 0.221 -6.441 1.00 0.35 H new ATOM 0 HG2 GLN A 687 13.506 2.942 -6.987 1.00 0.65 H new ATOM 0 HG3 GLN A 687 14.816 2.287 -7.950 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.983 2.975 -8.638 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.300 1.497 -9.325 1.00 1.23 H new ATOM 987 N ARG A 688 12.750 -1.186 -5.319 1.00 0.22 N ATOM 988 CA ARG A 688 11.806 -2.253 -5.607 1.00 0.23 C ATOM 989 C ARG A 688 10.847 -2.429 -4.438 1.00 0.18 C ATOM 990 O ARG A 688 9.688 -2.798 -4.625 1.00 0.20 O ATOM 991 CB ARG A 688 12.531 -3.571 -5.891 1.00 0.29 C ATOM 992 CG ARG A 688 11.604 -4.659 -6.403 1.00 0.70 C ATOM 993 CD ARG A 688 12.341 -5.959 -6.663 1.00 0.78 C ATOM 994 NE ARG A 688 11.453 -6.980 -7.215 1.00 1.67 N ATOM 995 CZ ARG A 688 11.562 -8.284 -6.960 1.00 2.16 C ATOM 996 NH1 ARG A 688 12.555 -8.741 -6.204 1.00 1.85 N ATOM 997 NH2 ARG A 688 10.690 -9.137 -7.483 1.00 3.24 N ATOM 0 H ARG A 688 13.707 -1.498 -5.156 1.00 0.22 H new ATOM 0 HA ARG A 688 11.243 -1.976 -6.498 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.317 -3.396 -6.625 1.00 0.29 H new ATOM 0 HB3 ARG A 688 13.018 -3.916 -4.979 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.811 -4.831 -5.675 1.00 0.70 H new ATOM 0 HG3 ARG A 688 11.125 -4.324 -7.323 1.00 0.70 H new ATOM 0 HD2 ARG A 688 13.164 -5.779 -7.355 1.00 0.78 H new ATOM 0 HD3 ARG A 688 12.780 -6.321 -5.733 1.00 0.78 H new ATOM 0 HE ARG A 688 10.702 -6.676 -7.835 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.240 -8.093 -5.815 1.00 1.85 H new ATOM 0 HH12 ARG A 688 12.632 -9.740 -6.013 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.937 -8.795 -8.080 1.00 3.24 H new ATOM 0 HH22 ARG A 688 10.773 -10.135 -7.288 1.00 3.24 H new ATOM 1011 N SER A 689 11.337 -2.158 -3.233 1.00 0.16 N ATOM 1012 CA SER A 689 10.497 -2.203 -2.046 1.00 0.17 C ATOM 1013 C SER A 689 9.298 -1.283 -2.215 1.00 0.15 C ATOM 1014 O SER A 689 8.161 -1.689 -1.967 1.00 0.16 O ATOM 1015 CB SER A 689 11.289 -1.803 -0.805 1.00 0.21 C ATOM 1016 OG SER A 689 12.414 -2.643 -0.632 1.00 1.11 O ATOM 0 H SER A 689 12.309 -1.906 -3.055 1.00 0.16 H new ATOM 0 HA SER A 689 10.146 -3.227 -1.917 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.614 -0.767 -0.895 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.648 -1.861 0.075 1.00 0.21 H new ATOM 0 HG SER A 689 12.968 -2.618 -1.440 1.00 1.11 H new ATOM 1022 N GLY A 690 9.537 -0.051 -2.668 1.00 0.16 N ATOM 1023 CA GLY A 690 8.447 0.873 -2.872 1.00 0.18 C ATOM 1024 C GLY A 690 7.567 0.458 -4.027 1.00 0.17 C ATOM 1025 O GLY A 690 6.362 0.688 -4.002 1.00 0.19 O ATOM 0 H GLY A 690 10.462 0.315 -2.894 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.848 0.935 -1.963 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.846 1.870 -3.059 1.00 0.18 H new ATOM 1029 N ASP A 691 8.167 -0.167 -5.035 1.00 0.17 N ATOM 1030 CA ASP A 691 7.409 -0.654 -6.189 1.00 0.20 C ATOM 1031 C ASP A 691 6.418 -1.727 -5.753 1.00 0.18 C ATOM 1032 O ASP A 691 5.247 -1.707 -6.133 1.00 0.22 O ATOM 1033 CB ASP A 691 8.349 -1.215 -7.261 1.00 0.26 C ATOM 1034 CG ASP A 691 7.604 -1.696 -8.489 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.133 -0.848 -9.273 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.481 -2.929 -8.674 1.00 1.54 O ATOM 0 H ASP A 691 9.170 -0.349 -5.079 1.00 0.17 H new ATOM 0 HA ASP A 691 6.861 0.186 -6.616 1.00 0.20 H new ATOM 0 HB2 ASP A 691 9.064 -0.446 -7.552 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.923 -2.041 -6.841 1.00 0.26 H new ATOM 1041 N LEU A 692 6.885 -2.644 -4.922 1.00 0.16 N ATOM 1042 CA LEU A 692 6.042 -3.716 -4.425 1.00 0.16 C ATOM 1043 C LEU A 692 5.026 -3.189 -3.415 1.00 0.15 C ATOM 1044 O LEU A 692 3.887 -3.651 -3.375 1.00 0.16 O ATOM 1045 CB LEU A 692 6.901 -4.814 -3.805 1.00 0.20 C ATOM 1046 CG LEU A 692 7.736 -5.621 -4.798 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.842 -6.375 -4.080 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.844 -6.589 -5.555 1.00 0.73 C ATOM 0 H LEU A 692 7.845 -2.667 -4.578 1.00 0.16 H new ATOM 0 HA LEU A 692 5.489 -4.137 -5.264 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.571 -4.361 -3.074 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.251 -5.498 -3.260 1.00 0.20 H new ATOM 0 HG LEU A 692 8.197 -4.933 -5.507 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.425 -6.943 -4.805 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.492 -5.666 -3.567 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.404 -7.057 -3.352 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.445 -7.161 -6.261 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.366 -7.270 -4.851 1.00 0.73 H new ATOM 0 HD23 LEU A 692 6.080 -6.032 -6.097 1.00 0.73 H new ATOM 1060 N TYR A 693 5.429 -2.208 -2.610 1.00 0.15 N ATOM 1061 CA TYR A 693 4.516 -1.604 -1.645 1.00 0.17 C ATOM 1062 C TYR A 693 3.447 -0.767 -2.342 1.00 0.18 C ATOM 1063 O TYR A 693 2.307 -0.710 -1.883 1.00 0.20 O ATOM 1064 CB TYR A 693 5.263 -0.758 -0.603 1.00 0.21 C ATOM 1065 CG TYR A 693 5.700 -1.547 0.612 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.760 -2.173 1.422 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.042 -1.663 0.958 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.141 -2.892 2.537 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.432 -2.383 2.073 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.477 -2.995 2.858 1.00 1.05 C ATOM 1071 OH TYR A 693 6.858 -3.713 3.967 1.00 1.33 O ATOM 0 H TYR A 693 6.372 -1.818 -2.607 1.00 0.15 H new ATOM 0 HA TYR A 693 4.024 -2.423 -1.120 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.140 -0.310 -1.071 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.620 0.061 -0.283 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.712 -2.095 1.174 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.792 -1.183 0.346 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.396 -3.371 3.155 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.478 -2.465 2.327 1.00 0.96 H new ATOM 0 HH TYR A 693 7.834 -3.689 4.053 1.00 1.33 H new ATOM 1081 N THR A 694 3.798 -0.132 -3.456 1.00 0.19 N ATOM 1082 CA THR A 694 2.816 0.633 -4.214 1.00 0.22 C ATOM 1083 C THR A 694 1.833 -0.308 -4.897 1.00 0.20 C ATOM 1084 O THR A 694 0.632 -0.029 -4.960 1.00 0.21 O ATOM 1085 CB THR A 694 3.465 1.573 -5.257 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.543 0.912 -5.922 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.975 2.845 -4.597 1.00 0.31 C ATOM 0 H THR A 694 4.739 -0.131 -3.848 1.00 0.19 H new ATOM 0 HA THR A 694 2.287 1.266 -3.501 1.00 0.22 H new ATOM 0 HB THR A 694 2.702 1.839 -5.989 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.376 1.070 -5.431 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.427 3.490 -5.351 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.144 3.368 -4.123 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.720 2.590 -3.843 1.00 0.31 H new ATOM 1095 N GLN A 695 2.340 -1.447 -5.371 1.00 0.19 N ATOM 1096 CA GLN A 695 1.479 -2.475 -5.935 1.00 0.20 C ATOM 1097 C GLN A 695 0.587 -3.057 -4.845 1.00 0.17 C ATOM 1098 O GLN A 695 -0.601 -3.303 -5.062 1.00 0.18 O ATOM 1099 CB GLN A 695 2.298 -3.592 -6.584 1.00 0.25 C ATOM 1100 CG GLN A 695 3.048 -3.168 -7.837 1.00 0.85 C ATOM 1101 CD GLN A 695 3.695 -4.341 -8.554 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.086 -5.515 -8.457 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 4.730 -4.194 -9.197 1.00 2.13 N flip ATOM 0 H GLN A 695 3.334 -1.675 -5.374 1.00 0.19 H new ATOM 0 HA GLN A 695 0.863 -2.014 -6.707 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.015 -3.971 -5.856 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.631 -4.417 -6.835 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.359 -2.667 -8.517 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.816 -2.442 -7.569 1.00 0.85 H new ATOM 0 HE21 GLN A 695 5.171 -3.276 -9.250 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.149 -4.990 -9.678 1.00 2.13 H new ATOM 1112 N ALA A 696 1.168 -3.275 -3.668 1.00 0.16 N ATOM 1113 CA ALA A 696 0.414 -3.764 -2.527 1.00 0.16 C ATOM 1114 C ALA A 696 -0.678 -2.784 -2.131 1.00 0.16 C ATOM 1115 O ALA A 696 -1.799 -3.193 -1.831 1.00 0.16 O ATOM 1116 CB ALA A 696 1.335 -4.042 -1.348 1.00 0.18 C ATOM 0 H ALA A 696 2.159 -3.119 -3.484 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.062 -4.700 -2.820 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.748 -4.407 -0.506 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.071 -4.795 -1.631 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.847 -3.123 -1.062 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.372 -1.487 -2.148 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.363 -0.476 -1.818 1.00 0.17 C ATOM 1124 C ALA A 697 -2.453 -0.446 -2.873 1.00 0.16 C ATOM 1125 O ALA A 697 -3.625 -0.235 -2.564 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.712 0.893 -1.697 1.00 0.20 C ATOM 0 H ALA A 697 0.549 -1.118 -2.386 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.809 -0.732 -0.857 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.470 1.636 -1.450 1.00 0.20 H new ATOM 0 HB2 ALA A 697 0.043 0.869 -0.911 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.241 1.157 -2.644 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.057 -0.669 -4.119 1.00 0.17 N ATOM 1133 CA GLU A 698 -2.999 -0.760 -5.217 1.00 0.20 C ATOM 1134 C GLU A 698 -3.971 -1.910 -4.975 1.00 0.18 C ATOM 1135 O GLU A 698 -5.190 -1.743 -5.059 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.248 -0.970 -6.531 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.152 -1.183 -7.729 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.377 -1.535 -8.976 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.243 -2.739 -9.276 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -1.900 -0.607 -9.664 1.00 1.40 O ATOM 0 H GLU A 698 -1.082 -0.790 -4.392 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.564 0.170 -5.280 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.613 -0.104 -6.717 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.589 -1.832 -6.428 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.862 -1.980 -7.508 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.733 -0.278 -7.908 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.420 -3.070 -4.634 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.222 -4.255 -4.370 1.00 0.18 C ATOM 1149 C ALA A 699 -5.070 -4.070 -3.117 1.00 0.15 C ATOM 1150 O ALA A 699 -6.146 -4.648 -2.993 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.322 -5.473 -4.233 1.00 0.21 C ATOM 0 H ALA A 699 -2.415 -3.213 -4.534 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.897 -4.410 -5.211 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.931 -6.355 -4.036 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.763 -5.618 -5.157 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.626 -5.320 -3.408 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.577 -3.249 -2.200 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.288 -2.967 -0.962 1.00 0.13 C ATOM 1159 C ALA A 700 -6.468 -2.043 -1.219 1.00 0.13 C ATOM 1160 O ALA A 700 -7.594 -2.348 -0.832 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.353 -2.365 0.073 1.00 0.14 C ATOM 0 H ALA A 700 -3.684 -2.765 -2.291 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.669 -3.909 -0.568 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.907 -2.163 0.990 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.545 -3.065 0.284 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.935 -1.434 -0.311 1.00 0.14 H new ATOM 1167 N MET A 701 -6.214 -0.930 -1.899 1.00 0.15 N ATOM 1168 CA MET A 701 -7.261 0.046 -2.186 1.00 0.20 C ATOM 1169 C MET A 701 -8.329 -0.575 -3.081 1.00 0.23 C ATOM 1170 O MET A 701 -9.518 -0.290 -2.938 1.00 0.28 O ATOM 1171 CB MET A 701 -6.678 1.301 -2.854 1.00 0.27 C ATOM 1172 CG MET A 701 -6.188 1.072 -4.276 1.00 0.44 C ATOM 1173 SD MET A 701 -5.601 2.578 -5.074 1.00 0.74 S ATOM 1174 CE MET A 701 -5.253 1.962 -6.721 1.00 0.76 C ATOM 0 H MET A 701 -5.294 -0.681 -2.262 1.00 0.15 H new ATOM 0 HA MET A 701 -7.715 0.343 -1.241 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.438 2.082 -2.864 1.00 0.27 H new ATOM 0 HB3 MET A 701 -5.849 1.670 -2.250 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.383 0.338 -4.262 1.00 0.44 H new ATOM 0 HG3 MET A 701 -6.998 0.646 -4.869 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.226 2.208 -6.992 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.384 0.880 -6.740 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.937 2.423 -7.434 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.894 -1.449 -3.984 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.802 -2.131 -4.890 1.00 0.31 C ATOM 1186 C GLU A 702 -9.640 -3.150 -4.119 1.00 0.29 C ATOM 1187 O GLU A 702 -10.786 -3.433 -4.471 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.000 -2.804 -6.008 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.847 -3.483 -7.071 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.024 -3.922 -8.265 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -8.045 -3.223 -9.300 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.344 -4.961 -8.174 1.00 2.58 O ATOM 0 H GLU A 702 -6.913 -1.700 -4.105 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.482 -1.409 -5.342 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.370 -2.055 -6.487 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.334 -3.544 -5.565 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.345 -4.350 -6.637 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.628 -2.799 -7.402 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.069 -3.668 -3.037 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.759 -4.631 -2.189 1.00 0.32 C ATOM 1201 C ALA A 703 -10.503 -3.938 -1.050 1.00 0.33 C ATOM 1202 O ALA A 703 -10.779 -4.558 -0.024 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.773 -5.646 -1.630 1.00 0.39 C ATOM 0 H ALA A 703 -8.126 -3.435 -2.726 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.494 -5.150 -2.805 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.303 -6.359 -0.998 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.292 -6.177 -2.452 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.016 -5.131 -1.039 1.00 0.39 H new ATOM 1209 N MET A 704 -10.787 -2.644 -1.227 1.00 0.33 N ATOM 1210 CA MET A 704 -11.597 -1.869 -0.275 1.00 0.44 C ATOM 1211 C MET A 704 -10.833 -1.598 1.028 1.00 0.41 C ATOM 1212 O MET A 704 -11.360 -0.995 1.962 1.00 0.58 O ATOM 1213 CB MET A 704 -12.918 -2.603 0.013 1.00 0.61 C ATOM 1214 CG MET A 704 -13.939 -1.786 0.790 1.00 1.01 C ATOM 1215 SD MET A 704 -15.466 -2.699 1.093 1.00 2.03 S ATOM 1216 CE MET A 704 -15.963 -3.100 -0.583 1.00 2.61 C ATOM 0 H MET A 704 -10.465 -2.104 -2.030 1.00 0.33 H new ATOM 0 HA MET A 704 -11.819 -0.903 -0.729 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.362 -2.910 -0.934 1.00 0.61 H new ATOM 0 HB3 MET A 704 -12.699 -3.513 0.572 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.507 -1.481 1.743 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.168 -0.875 0.237 1.00 1.01 H new ATOM 0 HE1 MET A 704 -17.030 -3.320 -0.603 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.755 -2.253 -1.237 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.407 -3.971 -0.929 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.574 -2.005 1.062 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.744 -1.873 2.254 1.00 0.34 C ATOM 1228 C LYS A 705 -8.049 -0.515 2.268 1.00 0.31 C ATOM 1229 O LYS A 705 -6.819 -0.437 2.229 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.701 -2.997 2.291 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.291 -4.399 2.366 1.00 0.65 C ATOM 1232 CD LYS A 705 -8.903 -4.688 3.728 1.00 0.70 C ATOM 1233 CE LYS A 705 -7.857 -4.643 4.831 1.00 1.02 C ATOM 1234 NZ LYS A 705 -8.427 -5.000 6.153 1.00 1.59 N ATOM 0 H LYS A 705 -9.098 -2.435 0.269 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.381 -1.948 3.135 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.076 -2.926 1.401 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.049 -2.844 3.151 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.053 -4.513 1.595 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.512 -5.132 2.156 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -9.686 -3.959 3.938 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.376 -5.670 3.714 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -7.045 -5.329 4.589 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -7.425 -3.643 4.880 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -7.681 -4.957 6.876 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -9.184 -4.330 6.397 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -8.816 -5.964 6.114 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.848 0.547 2.318 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.329 1.905 2.246 1.00 0.47 C ATOM 1250 C GLY A 706 -7.241 2.212 3.264 1.00 0.42 C ATOM 1251 O GLY A 706 -6.197 2.766 2.908 1.00 0.40 O ATOM 0 H GLY A 706 -9.862 0.490 2.409 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.934 2.078 1.245 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.152 2.605 2.389 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.466 1.853 4.527 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.500 2.166 5.581 1.00 0.47 C ATOM 1257 C ARG A 707 -5.179 1.435 5.342 1.00 0.38 C ATOM 1258 O ARG A 707 -4.099 2.014 5.489 1.00 0.38 O ATOM 1259 CB ARG A 707 -7.063 1.812 6.961 1.00 0.60 C ATOM 1260 CG ARG A 707 -6.199 2.316 8.109 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.878 2.129 9.456 1.00 1.28 C ATOM 1262 NE ARG A 707 -6.943 0.727 9.863 1.00 2.07 N ATOM 1263 CZ ARG A 707 -7.796 0.259 10.773 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -8.715 1.051 11.308 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -7.740 -1.014 11.142 1.00 3.90 N ATOM 0 H ARG A 707 -8.296 1.352 4.843 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.310 3.239 5.553 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -8.064 2.233 7.057 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -7.163 0.729 7.038 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -5.247 1.786 8.106 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.976 3.372 7.959 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.338 2.698 10.213 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -7.888 2.537 9.410 1.00 1.28 H new ATOM 0 HE ARG A 707 -6.298 0.069 9.425 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -8.774 2.029 11.024 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -9.363 0.682 12.004 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -7.044 -1.635 10.729 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -8.393 -1.372 11.839 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.268 0.169 4.953 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.080 -0.619 4.643 1.00 0.30 C ATOM 1281 C LEU A 708 -3.365 -0.035 3.434 1.00 0.23 C ATOM 1282 O LEU A 708 -2.138 0.056 3.413 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.448 -2.084 4.379 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.532 -2.992 5.615 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.159 -3.182 6.237 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.503 -2.433 6.644 1.00 1.02 C ATOM 0 H LEU A 708 -6.149 -0.334 4.845 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.413 -0.583 5.504 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.411 -2.109 3.868 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.712 -2.505 3.693 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.905 -3.963 5.288 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.242 -3.828 7.111 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.490 -3.640 5.509 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -2.759 -2.214 6.538 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.541 -3.098 7.507 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.169 -1.445 6.961 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.496 -2.355 6.202 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.148 0.367 2.437 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.612 1.004 1.242 1.00 0.18 C ATOM 1300 C ALA A 709 -2.813 2.243 1.609 1.00 0.19 C ATOM 1301 O ALA A 709 -1.692 2.434 1.138 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.732 1.358 0.277 1.00 0.21 C ATOM 0 H ALA A 709 -5.162 0.261 2.435 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.944 0.298 0.749 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.312 1.833 -0.610 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.262 0.451 -0.014 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.426 2.044 0.762 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.392 3.071 2.470 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.718 4.269 2.947 1.00 0.29 C ATOM 1310 C ASN A 710 -1.405 3.909 3.635 1.00 0.25 C ATOM 1311 O ASN A 710 -0.367 4.490 3.335 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.618 5.047 3.910 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.956 6.304 4.454 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.128 6.952 3.646 1.00 1.60 O flip ATOM 1315 ND2 ASN A 710 -3.198 6.697 5.595 1.00 1.45 N flip ATOM 0 H ASN A 710 -4.328 2.933 2.852 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.500 4.900 2.085 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.540 5.321 3.397 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.897 4.400 4.742 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -3.841 6.173 6.189 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.756 7.547 5.946 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.459 2.938 4.544 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.272 2.502 5.272 1.00 0.26 C ATOM 1324 C GLN A 711 0.823 2.016 4.320 1.00 0.22 C ATOM 1325 O GLN A 711 1.960 2.484 4.378 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.639 1.395 6.257 1.00 0.32 C ATOM 1327 CG GLN A 711 0.541 0.876 7.059 1.00 1.24 C ATOM 1328 CD GLN A 711 0.158 -0.272 7.972 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.230 -0.061 9.120 1.00 1.83 O ATOM 1330 NE2 GLN A 711 0.257 -1.494 7.471 1.00 1.09 N ATOM 0 H GLN A 711 -2.313 2.439 4.793 1.00 0.25 H new ATOM 0 HA GLN A 711 0.118 3.359 5.820 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.398 1.769 6.944 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -1.087 0.566 5.708 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.325 0.548 6.376 1.00 1.24 H new ATOM 0 HG3 GLN A 711 0.957 1.688 7.655 1.00 1.24 H new ATOM 0 HE21 GLN A 711 0.583 -1.628 6.514 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.007 -2.301 8.042 1.00 1.09 H new ATOM 1339 N TYR A 712 0.483 1.067 3.453 1.00 0.20 N ATOM 1340 CA TYR A 712 1.452 0.537 2.495 1.00 0.20 C ATOM 1341 C TYR A 712 1.981 1.638 1.582 1.00 0.20 C ATOM 1342 O TYR A 712 3.147 1.614 1.184 1.00 0.21 O ATOM 1343 CB TYR A 712 0.860 -0.600 1.659 1.00 0.22 C ATOM 1344 CG TYR A 712 0.506 -1.825 2.472 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.396 -2.353 3.402 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.714 -2.452 2.306 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.069 -3.473 4.140 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -1.049 -3.570 3.039 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.155 -4.077 3.955 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.486 -5.193 4.687 1.00 0.44 O ATOM 0 H TYR A 712 -0.447 0.651 3.392 1.00 0.20 H new ATOM 0 HA TYR A 712 2.283 0.133 3.074 1.00 0.20 H new ATOM 0 HB2 TYR A 712 -0.035 -0.239 1.151 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.574 -0.881 0.885 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.356 -1.880 3.549 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.418 -2.059 1.588 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.769 -3.873 4.858 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -2.008 -4.046 2.896 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.384 -5.494 4.436 1.00 0.44 H new ATOM 1360 N TYR A 713 1.138 2.616 1.271 1.00 0.21 N ATOM 1361 CA TYR A 713 1.567 3.734 0.448 1.00 0.25 C ATOM 1362 C TYR A 713 2.522 4.624 1.241 1.00 0.23 C ATOM 1363 O TYR A 713 3.525 5.105 0.713 1.00 0.25 O ATOM 1364 CB TYR A 713 0.365 4.545 -0.044 1.00 0.32 C ATOM 1365 CG TYR A 713 0.740 5.590 -1.063 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.795 6.935 -0.723 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.055 5.225 -2.363 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.157 7.887 -1.653 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.414 6.171 -3.300 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.465 7.499 -2.938 1.00 2.20 C ATOM 1371 OH TYR A 713 1.830 8.441 -3.864 1.00 2.95 O ATOM 0 H TYR A 713 0.165 2.656 1.574 1.00 0.21 H new ATOM 0 HA TYR A 713 2.087 3.342 -0.426 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.370 3.868 -0.479 1.00 0.32 H new ATOM 0 HB3 TYR A 713 -0.113 5.030 0.807 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.551 7.240 0.284 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.019 4.183 -2.646 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.199 8.930 -1.375 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.653 5.873 -4.310 1.00 1.50 H new ATOM 0 HH TYR A 713 2.694 8.829 -3.613 1.00 2.95 H new ATOM 1381 N GLN A 714 2.214 4.809 2.521 1.00 0.24 N ATOM 1382 CA GLN A 714 3.067 5.568 3.426 1.00 0.28 C ATOM 1383 C GLN A 714 4.407 4.863 3.598 1.00 0.23 C ATOM 1384 O GLN A 714 5.436 5.495 3.837 1.00 0.26 O ATOM 1385 CB GLN A 714 2.379 5.727 4.783 1.00 0.36 C ATOM 1386 CG GLN A 714 3.229 6.429 5.827 1.00 0.65 C ATOM 1387 CD GLN A 714 2.538 6.515 7.171 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.668 5.622 8.008 1.00 1.94 O ATOM 1389 NE2 GLN A 714 1.807 7.596 7.396 1.00 1.98 N ATOM 0 H GLN A 714 1.370 4.438 2.957 1.00 0.24 H new ATOM 0 HA GLN A 714 3.242 6.556 3.000 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.454 6.287 4.646 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.103 4.741 5.157 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.173 5.897 5.940 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.469 7.434 5.480 1.00 0.65 H new ATOM 0 HE21 GLN A 714 1.724 8.314 6.677 1.00 1.98 H new ATOM 0 HE22 GLN A 714 1.327 7.710 8.289 1.00 1.98 H new ATOM 1398 N LYS A 715 4.391 3.552 3.408 1.00 0.21 N ATOM 1399 CA LYS A 715 5.589 2.753 3.580 1.00 0.22 C ATOM 1400 C LYS A 715 6.387 2.771 2.283 1.00 0.20 C ATOM 1401 O LYS A 715 7.616 2.737 2.293 1.00 0.23 O ATOM 1402 CB LYS A 715 5.228 1.315 3.983 1.00 0.27 C ATOM 1403 CG LYS A 715 6.423 0.370 4.085 1.00 0.61 C ATOM 1404 CD LYS A 715 7.412 0.782 5.170 1.00 0.86 C ATOM 1405 CE LYS A 715 6.778 0.777 6.553 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.761 1.126 7.611 1.00 1.67 N ATOM 0 H LYS A 715 3.563 3.023 3.135 1.00 0.21 H new ATOM 0 HA LYS A 715 6.196 3.175 4.381 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.715 1.338 4.945 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.523 0.913 3.255 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.066 -0.639 4.290 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.937 0.337 3.125 1.00 0.61 H new ATOM 0 HD2 LYS A 715 8.264 0.103 5.160 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.796 1.778 4.951 1.00 0.86 H new ATOM 0 HE2 LYS A 715 5.951 1.487 6.577 1.00 1.16 H new ATOM 0 HE3 LYS A 715 6.358 -0.208 6.757 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 7.305 1.063 8.543 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 8.563 0.464 7.572 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 8.105 2.096 7.459 1.00 1.67 H new ATOM 1420 N ALA A 716 5.672 2.853 1.165 1.00 0.17 N ATOM 1421 CA ALA A 716 6.302 2.992 -0.138 1.00 0.18 C ATOM 1422 C ALA A 716 7.024 4.324 -0.226 1.00 0.21 C ATOM 1423 O ALA A 716 8.198 4.391 -0.610 1.00 0.25 O ATOM 1424 CB ALA A 716 5.261 2.884 -1.243 1.00 0.21 C ATOM 0 H ALA A 716 4.653 2.825 1.139 1.00 0.17 H new ATOM 0 HA ALA A 716 7.027 2.188 -0.265 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.747 2.990 -2.213 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.771 1.912 -1.187 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.518 3.673 -1.122 1.00 0.21 H new ATOM 1430 N GLU A 717 6.316 5.385 0.146 1.00 0.24 N ATOM 1431 CA GLU A 717 6.890 6.715 0.181 1.00 0.32 C ATOM 1432 C GLU A 717 8.055 6.762 1.157 1.00 0.31 C ATOM 1433 O GLU A 717 9.096 7.328 0.854 1.00 0.33 O ATOM 1434 CB GLU A 717 5.820 7.733 0.577 1.00 0.45 C ATOM 1435 CG GLU A 717 4.708 7.883 -0.451 1.00 1.26 C ATOM 1436 CD GLU A 717 5.131 8.682 -1.669 1.00 1.60 C ATOM 1437 OE1 GLU A 717 6.332 9.008 -1.790 1.00 2.16 O ATOM 1438 OE2 GLU A 717 4.253 9.021 -2.493 1.00 2.04 O ATOM 0 H GLU A 717 5.337 5.343 0.429 1.00 0.24 H new ATOM 0 HA GLU A 717 7.263 6.966 -0.812 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.384 7.436 1.531 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.293 8.703 0.731 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.379 6.894 -0.769 1.00 1.26 H new ATOM 0 HG3 GLU A 717 3.852 8.369 0.016 1.00 1.26 H new ATOM 1445 N GLU A 718 7.874 6.149 2.325 1.00 0.31 N ATOM 1446 CA GLU A 718 8.938 6.071 3.321 1.00 0.36 C ATOM 1447 C GLU A 718 10.163 5.367 2.745 1.00 0.33 C ATOM 1448 O GLU A 718 11.297 5.809 2.944 1.00 0.36 O ATOM 1449 CB GLU A 718 8.443 5.332 4.566 1.00 0.43 C ATOM 1450 CG GLU A 718 9.454 5.273 5.701 1.00 1.06 C ATOM 1451 CD GLU A 718 8.944 4.480 6.887 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.310 5.074 7.781 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.180 3.253 6.935 1.00 2.20 O ATOM 0 H GLU A 718 7.002 5.700 2.604 1.00 0.31 H new ATOM 0 HA GLU A 718 9.222 7.085 3.601 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.537 5.818 4.927 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.169 4.315 4.286 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.379 4.824 5.338 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.696 6.286 6.022 1.00 1.06 H new ATOM 1460 N ALA A 719 9.924 4.283 2.014 1.00 0.28 N ATOM 1461 CA ALA A 719 10.998 3.516 1.398 1.00 0.29 C ATOM 1462 C ALA A 719 11.822 4.381 0.454 1.00 0.30 C ATOM 1463 O ALA A 719 13.048 4.445 0.572 1.00 0.37 O ATOM 1464 CB ALA A 719 10.432 2.315 0.654 1.00 0.28 C ATOM 0 H ALA A 719 8.990 3.915 1.834 1.00 0.28 H new ATOM 0 HA ALA A 719 11.656 3.162 2.192 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.247 1.752 0.199 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.894 1.675 1.353 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.749 2.657 -0.124 1.00 0.28 H new ATOM 1470 N TRP A 720 11.151 5.062 -0.469 1.00 0.26 N ATOM 1471 CA TRP A 720 11.849 5.888 -1.452 1.00 0.28 C ATOM 1472 C TRP A 720 12.412 7.161 -0.823 1.00 0.33 C ATOM 1473 O TRP A 720 13.520 7.582 -1.147 1.00 0.36 O ATOM 1474 CB TRP A 720 10.929 6.259 -2.620 1.00 0.29 C ATOM 1475 CG TRP A 720 10.582 5.106 -3.522 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.343 3.997 -3.771 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.397 4.965 -4.323 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.699 3.173 -4.663 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.509 3.746 -5.019 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.251 5.746 -4.519 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.524 3.294 -5.892 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.277 5.295 -5.387 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.418 4.079 -6.064 1.00 0.45 C ATOM 0 H TRP A 720 10.135 5.060 -0.558 1.00 0.26 H new ATOM 0 HA TRP A 720 12.679 5.291 -1.829 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.008 6.684 -2.221 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.409 7.038 -3.213 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.309 3.798 -3.331 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.051 2.279 -5.004 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.131 6.685 -4.000 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.630 2.355 -6.416 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.391 5.891 -5.546 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.638 3.754 -6.736 1.00 0.45 H new