USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 665 TYR OH : rot 180:sc= -3.05! USER MOD Set 1.2: A 666 MET CE :methyl -156:sc= 0 (180deg=-0.0253) USER MOD Single : A 667 MET CE :methyl 140:sc= -0.905 (180deg=-2.49!) USER MOD Single : A 674 MET CE :methyl -176:sc= -0.107 (180deg=-0.191) USER MOD Single : A 687 GLN : amide:sc= 0.227 X(o=0.23,f=-0.086) USER MOD Single : A 689 SER OG : rot 63:sc= 0.851 USER MOD Single : A 693 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 694 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 695 GLN : amide:sc=-0.00582 K(o=-0.0058,f=-1.2) USER MOD Single : A 701 MET CE :methyl -115:sc= -0.0387 (180deg=-2.36!) USER MOD Single : A 704 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN : amide:sc= 1.18 K(o=1.2,f=-0.012) USER MOD Single : A 711 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3.2!) USER MOD Single : A 712 TYR OH : rot 174:sc= -0.398 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 714 GLN :FLIP amide:sc=-0.00648 F(o=-1.2!,f=-0.0065) USER MOD Single : A 715 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 628 N TYR A 665 -2.633 -8.312 -1.552 1.00 0.30 N ATOM 629 CA TYR A 665 -1.890 -7.183 -1.005 1.00 0.25 C ATOM 630 C TYR A 665 -1.025 -7.585 0.188 1.00 0.22 C ATOM 631 O TYR A 665 0.012 -6.981 0.432 1.00 0.22 O ATOM 632 CB TYR A 665 -2.858 -6.053 -0.627 1.00 0.27 C ATOM 633 CG TYR A 665 -3.962 -6.463 0.323 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.096 -7.117 -0.139 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.873 -6.191 1.679 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.104 -7.493 0.724 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.877 -6.564 2.549 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.987 -7.215 2.067 1.00 0.64 C ATOM 639 OH TYR A 665 -6.982 -7.591 2.935 1.00 0.81 O ATOM 0 HA TYR A 665 -1.210 -6.826 -1.778 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.289 -5.241 -0.174 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.308 -5.658 -1.538 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.191 -7.335 -1.193 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.003 -5.678 2.061 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.979 -8.002 0.349 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.791 -6.345 3.603 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.741 -7.320 3.846 1.00 0.81 H new ATOM 649 N MET A 666 -1.431 -8.624 0.904 1.00 0.25 N ATOM 650 CA MET A 666 -0.676 -9.083 2.065 1.00 0.28 C ATOM 651 C MET A 666 0.609 -9.764 1.626 1.00 0.25 C ATOM 652 O MET A 666 1.674 -9.521 2.190 1.00 0.25 O ATOM 653 CB MET A 666 -1.512 -10.040 2.917 1.00 0.37 C ATOM 654 CG MET A 666 -2.686 -9.372 3.616 1.00 0.48 C ATOM 655 SD MET A 666 -3.692 -10.540 4.546 1.00 1.17 S ATOM 656 CE MET A 666 -5.027 -9.475 5.085 1.00 1.14 C ATOM 0 H MET A 666 -2.273 -9.163 0.705 1.00 0.25 H new ATOM 0 HA MET A 666 -0.426 -8.212 2.671 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.888 -10.843 2.283 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.869 -10.501 3.667 1.00 0.37 H new ATOM 0 HG2 MET A 666 -2.312 -8.602 4.291 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.309 -8.871 2.875 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.486 -9.892 5.982 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.634 -8.483 5.306 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.775 -9.401 4.296 1.00 1.14 H new ATOM 666 N MET A 667 0.511 -10.590 0.592 1.00 0.26 N ATOM 667 CA MET A 667 1.669 -11.302 0.081 1.00 0.27 C ATOM 668 C MET A 667 2.600 -10.305 -0.598 1.00 0.23 C ATOM 669 O MET A 667 3.816 -10.319 -0.381 1.00 0.23 O ATOM 670 CB MET A 667 1.224 -12.400 -0.899 1.00 0.34 C ATOM 671 CG MET A 667 2.280 -13.466 -1.195 1.00 0.47 C ATOM 672 SD MET A 667 3.652 -12.872 -2.207 1.00 1.20 S ATOM 673 CE MET A 667 2.824 -12.593 -3.771 1.00 1.10 C ATOM 0 H MET A 667 -0.358 -10.781 0.093 1.00 0.26 H new ATOM 0 HA MET A 667 2.202 -11.784 0.900 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.338 -12.890 -0.495 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.929 -11.931 -1.838 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.674 -13.845 -0.252 1.00 0.47 H new ATOM 0 HG3 MET A 667 1.804 -14.305 -1.702 1.00 0.47 H new ATOM 0 HE1 MET A 667 3.201 -11.676 -4.224 1.00 1.10 H new ATOM 0 HE2 MET A 667 3.016 -13.433 -4.439 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.751 -12.501 -3.603 1.00 1.10 H new ATOM 683 N LEU A 668 2.006 -9.407 -1.382 1.00 0.21 N ATOM 684 CA LEU A 668 2.759 -8.358 -2.066 1.00 0.19 C ATOM 685 C LEU A 668 3.483 -7.466 -1.063 1.00 0.17 C ATOM 686 O LEU A 668 4.649 -7.121 -1.258 1.00 0.17 O ATOM 687 CB LEU A 668 1.840 -7.497 -2.949 1.00 0.21 C ATOM 688 CG LEU A 668 1.603 -8.005 -4.379 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.970 -9.387 -4.385 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.732 -7.027 -5.150 1.00 0.80 C ATOM 0 H LEU A 668 1.002 -9.385 -1.560 1.00 0.21 H new ATOM 0 HA LEU A 668 3.495 -8.850 -2.702 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.874 -7.407 -2.453 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.263 -6.494 -3.007 1.00 0.21 H new ATOM 0 HG LEU A 668 2.575 -8.081 -4.867 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.818 -9.713 -5.414 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.628 -10.091 -3.875 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.010 -9.350 -3.870 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.573 -7.401 -6.162 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.229 -6.921 -4.647 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.227 -6.057 -5.195 1.00 0.80 H new ATOM 702 N ALA A 669 2.809 -7.124 0.030 1.00 0.18 N ATOM 703 CA ALA A 669 3.390 -6.234 1.023 1.00 0.19 C ATOM 704 C ALA A 669 4.428 -6.969 1.855 1.00 0.20 C ATOM 705 O ALA A 669 5.436 -6.391 2.256 1.00 0.22 O ATOM 706 CB ALA A 669 2.312 -5.654 1.921 1.00 0.23 C ATOM 0 H ALA A 669 1.867 -7.448 0.248 1.00 0.18 H new ATOM 0 HA ALA A 669 3.880 -5.414 0.499 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.769 -4.991 2.656 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.600 -5.091 1.318 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.792 -6.463 2.435 1.00 0.23 H new ATOM 712 N ARG A 670 4.180 -8.248 2.107 1.00 0.22 N ATOM 713 CA ARG A 670 5.113 -9.070 2.858 1.00 0.26 C ATOM 714 C ARG A 670 6.408 -9.231 2.076 1.00 0.23 C ATOM 715 O ARG A 670 7.502 -9.138 2.638 1.00 0.25 O ATOM 716 CB ARG A 670 4.498 -10.435 3.153 1.00 0.33 C ATOM 717 CG ARG A 670 5.336 -11.304 4.075 1.00 0.41 C ATOM 718 CD ARG A 670 4.607 -12.591 4.416 1.00 0.83 C ATOM 719 NE ARG A 670 3.304 -12.332 5.031 1.00 1.62 N ATOM 720 CZ ARG A 670 2.210 -13.056 4.797 1.00 2.33 C ATOM 721 NH1 ARG A 670 2.259 -14.094 3.971 1.00 2.41 N ATOM 722 NH2 ARG A 670 1.067 -12.741 5.394 1.00 3.33 N ATOM 0 H ARG A 670 3.339 -8.737 1.801 1.00 0.22 H new ATOM 0 HA ARG A 670 5.333 -8.578 3.806 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.515 -10.290 3.601 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.344 -10.964 2.212 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.288 -11.536 3.597 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.564 -10.757 4.990 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.470 -13.182 3.510 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.218 -13.185 5.095 1.00 0.83 H new ATOM 0 HE ARG A 670 3.229 -11.548 5.679 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.136 -14.340 3.513 1.00 2.41 H new ATOM 0 HH12 ARG A 670 1.419 -14.646 3.795 1.00 2.41 H new ATOM 0 HH21 ARG A 670 1.027 -11.945 6.031 1.00 3.33 H new ATOM 0 HH22 ARG A 670 0.229 -13.294 5.216 1.00 3.33 H new ATOM 736 N GLU A 671 6.286 -9.447 0.771 1.00 0.22 N ATOM 737 CA GLU A 671 7.458 -9.560 -0.073 1.00 0.23 C ATOM 738 C GLU A 671 8.140 -8.205 -0.181 1.00 0.19 C ATOM 739 O GLU A 671 9.361 -8.115 -0.120 1.00 0.21 O ATOM 740 CB GLU A 671 7.096 -10.095 -1.458 1.00 0.30 C ATOM 741 CG GLU A 671 8.312 -10.351 -2.335 1.00 0.38 C ATOM 742 CD GLU A 671 7.961 -10.987 -3.659 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.125 -10.324 -4.701 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.498 -12.149 -3.666 1.00 1.11 O ATOM 0 H GLU A 671 5.395 -9.546 0.284 1.00 0.22 H new ATOM 0 HA GLU A 671 8.146 -10.273 0.382 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.534 -11.022 -1.347 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.440 -9.382 -1.956 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.827 -9.408 -2.516 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.009 -10.997 -1.801 1.00 0.38 H new ATOM 751 N ALA A 672 7.344 -7.149 -0.329 1.00 0.17 N ATOM 752 CA ALA A 672 7.870 -5.789 -0.318 1.00 0.18 C ATOM 753 C ALA A 672 8.638 -5.512 0.972 1.00 0.20 C ATOM 754 O ALA A 672 9.665 -4.839 0.963 1.00 0.23 O ATOM 755 CB ALA A 672 6.745 -4.783 -0.492 1.00 0.21 C ATOM 0 H ALA A 672 6.334 -7.210 -0.458 1.00 0.17 H new ATOM 0 HA ALA A 672 8.562 -5.686 -1.154 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.155 -3.773 -0.481 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.242 -4.960 -1.443 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.030 -4.893 0.323 1.00 0.21 H new ATOM 761 N GLU A 673 8.141 -6.050 2.080 1.00 0.22 N ATOM 762 CA GLU A 673 8.813 -5.915 3.362 1.00 0.28 C ATOM 763 C GLU A 673 10.116 -6.707 3.358 1.00 0.28 C ATOM 764 O GLU A 673 11.123 -6.269 3.913 1.00 0.31 O ATOM 765 CB GLU A 673 7.908 -6.395 4.493 1.00 0.34 C ATOM 766 CG GLU A 673 8.473 -6.139 5.878 1.00 0.70 C ATOM 767 CD GLU A 673 7.551 -6.625 6.971 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.486 -6.004 7.176 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.884 -7.630 7.629 1.00 1.76 O ATOM 0 H GLU A 673 7.273 -6.584 2.114 1.00 0.22 H new ATOM 0 HA GLU A 673 9.041 -4.862 3.525 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.941 -5.899 4.408 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.730 -7.464 4.375 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.438 -6.636 5.972 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.651 -5.071 6.004 1.00 0.70 H new ATOM 776 N MET A 674 10.095 -7.866 2.707 1.00 0.27 N ATOM 777 CA MET A 674 11.298 -8.678 2.562 1.00 0.31 C ATOM 778 C MET A 674 12.250 -8.042 1.558 1.00 0.29 C ATOM 779 O MET A 674 13.427 -8.381 1.499 1.00 0.34 O ATOM 780 CB MET A 674 10.960 -10.108 2.127 1.00 0.36 C ATOM 781 CG MET A 674 10.315 -10.945 3.218 1.00 0.54 C ATOM 782 SD MET A 674 10.267 -12.703 2.808 1.00 0.60 S ATOM 783 CE MET A 674 9.219 -12.690 1.356 1.00 0.79 C ATOM 0 H MET A 674 9.262 -8.263 2.273 1.00 0.27 H new ATOM 0 HA MET A 674 11.783 -8.726 3.537 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.289 -10.068 1.269 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.873 -10.602 1.795 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.865 -10.808 4.149 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.300 -10.588 3.392 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.038 -13.714 1.029 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.269 -12.213 1.597 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.711 -12.135 0.557 1.00 0.79 H new ATOM 793 N LEU A 675 11.729 -7.128 0.760 1.00 0.26 N ATOM 794 CA LEU A 675 12.547 -6.364 -0.166 1.00 0.27 C ATOM 795 C LEU A 675 13.115 -5.135 0.529 1.00 0.30 C ATOM 796 O LEU A 675 14.184 -4.655 0.179 1.00 0.39 O ATOM 797 CB LEU A 675 11.721 -5.933 -1.386 1.00 0.27 C ATOM 798 CG LEU A 675 11.865 -6.800 -2.643 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.251 -6.651 -3.244 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.571 -8.262 -2.344 1.00 0.47 C ATOM 0 H LEU A 675 10.736 -6.895 0.734 1.00 0.26 H new ATOM 0 HA LEU A 675 13.367 -6.998 -0.503 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.669 -5.917 -1.099 1.00 0.27 H new ATOM 0 HB3 LEU A 675 11.997 -4.910 -1.642 1.00 0.27 H new ATOM 0 HG LEU A 675 11.132 -6.451 -3.370 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.330 -7.275 -4.134 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.420 -5.609 -3.515 1.00 0.53 H new ATOM 0 HD13 LEU A 675 13.999 -6.962 -2.515 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.682 -8.849 -3.256 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.269 -8.627 -1.590 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.551 -8.359 -1.972 1.00 0.47 H new ATOM 812 N PHE A 676 12.388 -4.622 1.510 1.00 0.30 N ATOM 813 CA PHE A 676 12.812 -3.419 2.210 1.00 0.37 C ATOM 814 C PHE A 676 13.733 -3.751 3.382 1.00 0.42 C ATOM 815 O PHE A 676 14.845 -3.232 3.469 1.00 0.46 O ATOM 816 CB PHE A 676 11.592 -2.624 2.692 1.00 0.44 C ATOM 817 CG PHE A 676 11.932 -1.266 3.244 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.410 -0.845 4.459 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.782 -0.415 2.555 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.725 0.399 4.971 1.00 0.78 C ATOM 821 CE2 PHE A 676 13.100 0.829 3.064 1.00 0.82 C ATOM 822 CZ PHE A 676 12.550 1.249 4.256 1.00 0.82 C ATOM 0 H PHE A 676 11.507 -5.017 1.838 1.00 0.30 H new ATOM 0 HA PHE A 676 13.377 -2.805 1.509 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.896 -2.505 1.861 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.075 -3.199 3.460 1.00 0.44 H new ATOM 0 HD1 PHE A 676 10.750 -1.498 5.011 1.00 0.68 H new ATOM 0 HD2 PHE A 676 13.200 -0.728 1.610 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.328 0.707 5.927 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.780 1.473 2.527 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.763 2.239 4.631 1.00 0.82 H new ATOM 944 N ASP A 685 16.147 -3.911 -1.485 1.00 0.36 N ATOM 945 CA ASP A 685 16.220 -2.924 -2.556 1.00 0.32 C ATOM 946 C ASP A 685 15.085 -1.919 -2.392 1.00 0.27 C ATOM 947 O ASP A 685 13.948 -2.199 -2.780 1.00 0.26 O ATOM 948 CB ASP A 685 16.116 -3.600 -3.929 1.00 0.35 C ATOM 949 CG ASP A 685 16.201 -2.602 -5.070 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.330 -2.289 -5.508 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.147 -2.130 -5.540 1.00 1.68 O ATOM 0 HA ASP A 685 17.181 -2.413 -2.497 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.915 -4.335 -4.031 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.173 -4.143 -3.994 1.00 0.35 H new ATOM 956 N PRO A 686 15.369 -0.743 -1.797 1.00 0.29 N ATOM 957 CA PRO A 686 14.347 0.278 -1.500 1.00 0.29 C ATOM 958 C PRO A 686 13.492 0.652 -2.710 1.00 0.25 C ATOM 959 O PRO A 686 12.310 0.977 -2.567 1.00 0.25 O ATOM 960 CB PRO A 686 15.168 1.485 -1.038 1.00 0.37 C ATOM 961 CG PRO A 686 16.430 0.902 -0.507 1.00 0.42 C ATOM 962 CD PRO A 686 16.714 -0.313 -1.356 1.00 0.37 C ATOM 0 HA PRO A 686 13.632 -0.086 -0.762 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.364 2.170 -1.863 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.641 2.053 -0.271 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.248 1.620 -0.567 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.323 0.629 0.543 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.356 -0.071 -2.203 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.219 -1.093 -0.786 1.00 0.37 H new ATOM 970 N GLN A 687 14.077 0.583 -3.898 1.00 0.25 N ATOM 971 CA GLN A 687 13.369 0.954 -5.114 1.00 0.27 C ATOM 972 C GLN A 687 12.237 -0.029 -5.397 1.00 0.23 C ATOM 973 O GLN A 687 11.068 0.364 -5.491 1.00 0.24 O ATOM 974 CB GLN A 687 14.345 1.003 -6.291 1.00 0.35 C ATOM 975 CG GLN A 687 13.722 1.435 -7.608 1.00 0.65 C ATOM 976 CD GLN A 687 13.063 2.798 -7.530 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.714 3.827 -7.717 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.762 2.816 -7.287 1.00 1.23 N ATOM 0 H GLN A 687 15.038 0.274 -4.045 1.00 0.25 H new ATOM 0 HA GLN A 687 12.932 1.943 -4.978 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.157 1.688 -6.045 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.789 0.016 -6.420 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.492 1.453 -8.380 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.981 0.696 -7.914 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.259 1.941 -7.138 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.262 3.705 -7.249 1.00 1.23 H new ATOM 987 N ARG A 688 12.574 -1.314 -5.472 1.00 0.22 N ATOM 988 CA ARG A 688 11.585 -2.341 -5.760 1.00 0.23 C ATOM 989 C ARG A 688 10.633 -2.466 -4.580 1.00 0.18 C ATOM 990 O ARG A 688 9.459 -2.797 -4.748 1.00 0.20 O ATOM 991 CB ARG A 688 12.271 -3.683 -6.057 1.00 0.29 C ATOM 992 CG ARG A 688 11.407 -4.676 -6.833 1.00 0.70 C ATOM 993 CD ARG A 688 10.464 -5.458 -5.930 1.00 0.78 C ATOM 994 NE ARG A 688 9.489 -6.238 -6.696 1.00 1.67 N ATOM 995 CZ ARG A 688 9.044 -7.447 -6.343 1.00 2.16 C ATOM 996 NH1 ARG A 688 9.526 -8.058 -5.266 1.00 1.85 N ATOM 997 NH2 ARG A 688 8.118 -8.053 -7.074 1.00 3.24 N ATOM 0 H ARG A 688 13.522 -1.665 -5.337 1.00 0.22 H new ATOM 0 HA ARG A 688 11.017 -2.058 -6.646 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.183 -3.493 -6.623 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.571 -4.140 -5.114 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.825 -4.139 -7.582 1.00 0.70 H new ATOM 0 HG3 ARG A 688 12.052 -5.372 -7.369 1.00 0.70 H new ATOM 0 HD2 ARG A 688 11.043 -6.127 -5.294 1.00 0.78 H new ATOM 0 HD3 ARG A 688 9.938 -4.767 -5.271 1.00 0.78 H new ATOM 0 HE ARG A 688 9.125 -5.830 -7.557 1.00 1.67 H new ATOM 0 HH11 ARG A 688 10.243 -7.604 -4.700 1.00 1.85 H new ATOM 0 HH12 ARG A 688 9.179 -8.981 -5.005 1.00 1.85 H new ATOM 0 HH21 ARG A 688 7.745 -7.596 -7.906 1.00 3.24 H new ATOM 0 HH22 ARG A 688 7.779 -8.976 -6.804 1.00 3.24 H new ATOM 1011 N SER A 689 11.150 -2.189 -3.386 1.00 0.16 N ATOM 1012 CA SER A 689 10.330 -2.174 -2.184 1.00 0.17 C ATOM 1013 C SER A 689 9.149 -1.234 -2.360 1.00 0.15 C ATOM 1014 O SER A 689 8.002 -1.633 -2.150 1.00 0.16 O ATOM 1015 CB SER A 689 11.153 -1.743 -0.974 1.00 0.21 C ATOM 1016 OG SER A 689 12.287 -2.569 -0.811 1.00 1.11 O ATOM 0 H SER A 689 12.134 -1.972 -3.228 1.00 0.16 H new ATOM 0 HA SER A 689 9.960 -3.185 -2.015 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.468 -0.707 -1.095 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.536 -1.786 -0.077 1.00 0.21 H new ATOM 0 HG SER A 689 12.876 -2.473 -1.588 1.00 1.11 H new ATOM 1022 N GLY A 690 9.413 0.006 -2.776 1.00 0.16 N ATOM 1023 CA GLY A 690 8.342 0.959 -2.957 1.00 0.18 C ATOM 1024 C GLY A 690 7.445 0.589 -4.111 1.00 0.17 C ATOM 1025 O GLY A 690 6.234 0.795 -4.047 1.00 0.19 O ATOM 0 H GLY A 690 10.346 0.360 -2.988 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.751 1.018 -2.043 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.763 1.950 -3.129 1.00 0.18 H new ATOM 1029 N ASP A 691 8.029 0.024 -5.164 1.00 0.17 N ATOM 1030 CA ASP A 691 7.245 -0.397 -6.321 1.00 0.20 C ATOM 1031 C ASP A 691 6.241 -1.467 -5.918 1.00 0.18 C ATOM 1032 O ASP A 691 5.055 -1.365 -6.229 1.00 0.22 O ATOM 1033 CB ASP A 691 8.139 -0.915 -7.451 1.00 0.26 C ATOM 1034 CG ASP A 691 8.674 0.200 -8.329 1.00 0.82 C ATOM 1035 OD1 ASP A 691 8.012 0.556 -9.326 1.00 0.84 O ATOM 1036 OD2 ASP A 691 9.761 0.736 -8.017 1.00 1.54 O ATOM 0 H ASP A 691 9.031 -0.151 -5.240 1.00 0.17 H new ATOM 0 HA ASP A 691 6.710 0.477 -6.692 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.975 -1.468 -7.023 1.00 0.26 H new ATOM 0 HB3 ASP A 691 7.573 -1.616 -8.065 1.00 0.26 H new ATOM 1041 N LEU A 692 6.700 -2.474 -5.187 1.00 0.16 N ATOM 1042 CA LEU A 692 5.823 -3.559 -4.790 1.00 0.16 C ATOM 1043 C LEU A 692 4.877 -3.114 -3.675 1.00 0.15 C ATOM 1044 O LEU A 692 3.744 -3.582 -3.602 1.00 0.16 O ATOM 1045 CB LEU A 692 6.626 -4.787 -4.362 1.00 0.20 C ATOM 1046 CG LEU A 692 5.805 -6.066 -4.195 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.099 -6.428 -5.491 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.693 -7.208 -3.749 1.00 0.73 C ATOM 0 H LEU A 692 7.663 -2.559 -4.862 1.00 0.16 H new ATOM 0 HA LEU A 692 5.222 -3.836 -5.656 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.407 -4.968 -5.100 1.00 0.20 H new ATOM 0 HB3 LEU A 692 7.124 -4.566 -3.418 1.00 0.20 H new ATOM 0 HG LEU A 692 5.050 -5.887 -3.430 1.00 0.48 H new ATOM 0 HD11 LEU A 692 4.521 -7.341 -5.348 1.00 1.35 H new ATOM 0 HD12 LEU A 692 4.430 -5.617 -5.780 1.00 1.35 H new ATOM 0 HD13 LEU A 692 5.838 -6.586 -6.276 1.00 1.35 H new ATOM 0 HD21 LEU A 692 6.094 -8.111 -3.635 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.468 -7.379 -4.496 1.00 0.73 H new ATOM 0 HD23 LEU A 692 7.157 -6.957 -2.795 1.00 0.73 H new ATOM 1060 N TYR A 693 5.332 -2.203 -2.815 1.00 0.15 N ATOM 1061 CA TYR A 693 4.463 -1.653 -1.773 1.00 0.17 C ATOM 1062 C TYR A 693 3.339 -0.823 -2.387 1.00 0.18 C ATOM 1063 O TYR A 693 2.211 -0.837 -1.896 1.00 0.20 O ATOM 1064 CB TYR A 693 5.243 -0.804 -0.757 1.00 0.21 C ATOM 1065 CG TYR A 693 5.543 -1.532 0.540 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.513 -2.082 1.293 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.842 -1.657 1.020 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.767 -2.736 2.482 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.104 -2.314 2.208 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.063 -2.851 2.935 1.00 1.05 C ATOM 1071 OH TYR A 693 6.316 -3.499 4.123 1.00 1.33 O ATOM 0 H TYR A 693 6.283 -1.834 -2.817 1.00 0.15 H new ATOM 0 HA TYR A 693 4.034 -2.501 -1.240 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.181 -0.483 -1.209 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.672 0.097 -0.534 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.495 -1.996 0.942 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.660 -1.234 0.456 1.00 0.69 H new ATOM 0 HE1 TYR A 693 3.953 -3.156 3.055 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.119 -2.406 2.565 1.00 0.96 H new ATOM 0 HH TYR A 693 7.280 -3.494 4.299 1.00 1.33 H new ATOM 1081 N THR A 694 3.636 -0.117 -3.473 1.00 0.19 N ATOM 1082 CA THR A 694 2.615 0.671 -4.148 1.00 0.22 C ATOM 1083 C THR A 694 1.686 -0.235 -4.947 1.00 0.20 C ATOM 1084 O THR A 694 0.487 0.028 -5.050 1.00 0.21 O ATOM 1085 CB THR A 694 3.217 1.764 -5.057 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.307 1.236 -5.818 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.700 2.945 -4.231 1.00 0.31 C ATOM 0 H THR A 694 4.562 -0.075 -3.899 1.00 0.19 H new ATOM 0 HA THR A 694 2.041 1.181 -3.374 1.00 0.22 H new ATOM 0 HB THR A 694 2.436 2.104 -5.737 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.133 1.302 -5.295 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.120 3.703 -4.892 1.00 0.31 H new ATOM 0 HG22 THR A 694 2.862 3.370 -3.678 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.465 2.610 -3.530 1.00 0.31 H new ATOM 1095 N GLN A 695 2.233 -1.327 -5.481 1.00 0.19 N ATOM 1096 CA GLN A 695 1.411 -2.338 -6.134 1.00 0.20 C ATOM 1097 C GLN A 695 0.502 -2.989 -5.097 1.00 0.17 C ATOM 1098 O GLN A 695 -0.681 -3.237 -5.349 1.00 0.18 O ATOM 1099 CB GLN A 695 2.282 -3.400 -6.812 1.00 0.25 C ATOM 1100 CG GLN A 695 3.132 -2.862 -7.952 1.00 0.85 C ATOM 1101 CD GLN A 695 3.995 -3.933 -8.595 1.00 1.44 C ATOM 1102 OE1 GLN A 695 5.132 -4.158 -8.180 1.00 2.09 O ATOM 1103 NE2 GLN A 695 3.466 -4.604 -9.609 1.00 2.13 N ATOM 0 H GLN A 695 3.232 -1.531 -5.473 1.00 0.19 H new ATOM 0 HA GLN A 695 0.808 -1.858 -6.905 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.936 -3.851 -6.065 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.640 -4.194 -7.194 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.482 -2.422 -8.708 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.771 -2.063 -7.577 1.00 0.85 H new ATOM 0 HE21 GLN A 695 2.520 -4.389 -9.925 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.005 -5.335 -10.073 1.00 2.13 H new ATOM 1112 N ALA A 696 1.066 -3.246 -3.919 1.00 0.16 N ATOM 1113 CA ALA A 696 0.305 -3.770 -2.801 1.00 0.16 C ATOM 1114 C ALA A 696 -0.778 -2.791 -2.379 1.00 0.16 C ATOM 1115 O ALA A 696 -1.894 -3.202 -2.070 1.00 0.16 O ATOM 1116 CB ALA A 696 1.217 -4.087 -1.626 1.00 0.18 C ATOM 0 H ALA A 696 2.055 -3.097 -3.719 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.173 -4.695 -3.125 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.623 -4.478 -0.800 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.954 -4.831 -1.928 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.728 -3.179 -1.307 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.467 -1.494 -2.381 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.452 -0.480 -2.036 1.00 0.17 C ATOM 1124 C ALA A 697 -2.563 -0.445 -3.071 1.00 0.16 C ATOM 1125 O ALA A 697 -3.731 -0.257 -2.731 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.799 0.890 -1.915 1.00 0.20 C ATOM 0 H ALA A 697 0.455 -1.127 -2.617 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.883 -0.740 -1.069 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.555 1.632 -1.657 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.037 0.862 -1.136 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.337 1.158 -2.865 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.196 -0.641 -4.335 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.183 -0.731 -5.400 1.00 0.20 C ATOM 1134 C GLU A 698 -4.124 -1.894 -5.134 1.00 0.18 C ATOM 1135 O GLU A 698 -5.344 -1.729 -5.143 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.521 -0.904 -6.772 1.00 0.26 C ATOM 1137 CG GLU A 698 -1.952 0.378 -7.364 1.00 1.02 C ATOM 1138 CD GLU A 698 -1.429 0.172 -8.771 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -0.197 0.219 -8.966 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.244 -0.036 -9.692 1.00 1.40 O ATOM 0 H GLU A 698 -1.228 -0.740 -4.642 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.745 0.203 -5.414 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.718 -1.636 -6.684 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -3.254 -1.316 -7.466 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -2.725 1.147 -7.374 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -1.146 0.744 -6.728 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.552 -3.061 -4.853 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.345 -4.248 -4.571 1.00 0.18 C ATOM 1149 C ALA A 699 -5.151 -4.070 -3.288 1.00 0.15 C ATOM 1150 O ALA A 699 -6.243 -4.619 -3.148 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.444 -5.470 -4.467 1.00 0.21 C ATOM 0 H ALA A 699 -2.543 -3.208 -4.815 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.045 -4.397 -5.393 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.049 -6.351 -4.256 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.913 -5.612 -5.408 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.723 -5.323 -3.662 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.609 -3.286 -2.364 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.271 -3.016 -1.096 1.00 0.13 C ATOM 1159 C ALA A 700 -6.494 -2.136 -1.303 1.00 0.13 C ATOM 1160 O ALA A 700 -7.593 -2.490 -0.890 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.311 -2.366 -0.113 1.00 0.14 C ATOM 0 H ALA A 700 -3.706 -2.824 -2.472 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.598 -3.968 -0.678 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.828 -2.174 0.827 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.467 -3.033 0.066 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.948 -1.425 -0.527 1.00 0.14 H new ATOM 1167 N MET A 701 -6.308 -1.003 -1.967 1.00 0.15 N ATOM 1168 CA MET A 701 -7.411 -0.076 -2.193 1.00 0.20 C ATOM 1169 C MET A 701 -8.416 -0.676 -3.169 1.00 0.23 C ATOM 1170 O MET A 701 -9.598 -0.337 -3.145 1.00 0.28 O ATOM 1171 CB MET A 701 -6.901 1.281 -2.698 1.00 0.27 C ATOM 1172 CG MET A 701 -6.279 1.253 -4.086 1.00 0.44 C ATOM 1173 SD MET A 701 -5.730 2.886 -4.619 1.00 0.74 S ATOM 1174 CE MET A 701 -5.116 2.526 -6.260 1.00 0.76 C ATOM 0 H MET A 701 -5.413 -0.705 -2.356 1.00 0.15 H new ATOM 0 HA MET A 701 -7.913 0.094 -1.240 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.732 1.987 -2.702 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.163 1.661 -1.992 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.431 0.568 -4.089 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.005 0.865 -4.800 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.041 2.702 -6.293 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.321 1.484 -6.505 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.612 3.173 -6.984 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.941 -1.583 -4.016 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.812 -2.322 -4.919 1.00 0.31 C ATOM 1186 C GLU A 702 -9.651 -3.325 -4.126 1.00 0.29 C ATOM 1187 O GLU A 702 -10.805 -3.602 -4.459 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.966 -3.048 -5.965 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.765 -3.855 -6.971 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.874 -4.681 -7.870 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.351 -4.137 -8.863 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.680 -5.881 -7.579 1.00 2.58 O ATOM 0 H GLU A 702 -6.953 -1.824 -4.095 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.483 -1.628 -5.425 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.366 -2.313 -6.502 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.271 -3.714 -5.453 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.456 -4.512 -6.442 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.369 -3.181 -7.579 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.061 -3.845 -3.058 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.732 -4.806 -2.195 1.00 0.32 C ATOM 1201 C ALA A 703 -10.490 -4.101 -1.073 1.00 0.33 C ATOM 1202 O ALA A 703 -10.816 -4.715 -0.059 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.725 -5.791 -1.620 1.00 0.39 C ATOM 0 H ALA A 703 -8.111 -3.614 -2.767 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.456 -5.355 -2.796 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.240 -6.504 -0.976 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.234 -6.325 -2.433 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.979 -5.250 -1.038 1.00 0.39 H new ATOM 1209 N MET A 704 -10.740 -2.801 -1.264 1.00 0.33 N ATOM 1210 CA MET A 704 -11.544 -2.003 -0.335 1.00 0.44 C ATOM 1211 C MET A 704 -10.830 -1.843 1.013 1.00 0.41 C ATOM 1212 O MET A 704 -11.455 -1.579 2.041 1.00 0.58 O ATOM 1213 CB MET A 704 -12.920 -2.654 -0.142 1.00 0.61 C ATOM 1214 CG MET A 704 -14.003 -1.701 0.329 1.00 1.01 C ATOM 1215 SD MET A 704 -14.394 -0.438 -0.896 1.00 2.03 S ATOM 1216 CE MET A 704 -15.860 0.283 -0.167 1.00 2.61 C ATOM 0 H MET A 704 -10.391 -2.275 -2.065 1.00 0.33 H new ATOM 0 HA MET A 704 -11.679 -1.009 -0.761 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.232 -3.102 -1.085 1.00 0.61 H new ATOM 0 HB3 MET A 704 -12.827 -3.465 0.581 1.00 0.61 H new ATOM 0 HG2 MET A 704 -14.905 -2.268 0.562 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.682 -1.219 1.253 1.00 1.01 H new ATOM 0 HE1 MET A 704 -16.228 1.085 -0.807 1.00 2.61 H new ATOM 0 HE2 MET A 704 -16.630 -0.482 -0.065 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.617 0.686 0.816 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.511 -1.984 0.994 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.708 -1.918 2.209 1.00 0.34 C ATOM 1228 C LYS A 705 -8.021 -0.559 2.322 1.00 0.31 C ATOM 1229 O LYS A 705 -6.818 -0.439 2.068 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.656 -3.034 2.207 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.230 -4.431 2.028 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.057 -4.860 3.227 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.634 -6.251 3.029 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.393 -6.715 4.217 1.00 1.59 N ATOM 0 H LYS A 705 -8.971 -2.146 0.144 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.368 -2.050 3.067 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -6.940 -2.842 1.407 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.103 -2.998 3.145 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -8.849 -4.457 1.131 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.417 -5.141 1.875 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.437 -4.845 4.123 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.866 -4.148 3.387 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.289 -6.250 2.158 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -8.826 -6.952 2.819 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -10.769 -7.668 4.038 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -9.762 -6.741 5.044 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -11.180 -6.062 4.403 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.788 0.458 2.702 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.255 1.807 2.807 1.00 0.47 C ATOM 1250 C GLY A 706 -7.071 1.915 3.754 1.00 0.42 C ATOM 1251 O GLY A 706 -6.031 2.475 3.393 1.00 0.40 O ATOM 0 H GLY A 706 -9.776 0.372 2.941 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.952 2.148 1.817 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.045 2.477 3.147 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.233 1.385 4.963 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.178 1.405 5.978 1.00 0.47 C ATOM 1257 C ARG A 707 -4.880 0.821 5.428 1.00 0.38 C ATOM 1258 O ARG A 707 -3.815 1.437 5.520 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.621 0.591 7.197 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.828 0.877 8.459 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.028 2.310 8.922 1.00 1.28 C ATOM 1262 NE ARG A 707 -7.444 2.684 8.928 1.00 2.07 N ATOM 1263 CZ ARG A 707 -7.994 3.532 9.788 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -7.276 4.060 10.770 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -9.277 3.836 9.673 1.00 3.90 N ATOM 0 H ARG A 707 -8.094 0.931 5.268 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.000 2.441 6.266 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.675 0.792 7.390 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.537 -0.470 6.961 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -6.136 0.191 9.248 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.769 0.696 8.275 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -5.616 2.430 9.924 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -5.476 2.984 8.267 1.00 1.28 H new ATOM 0 HE ARG A 707 -8.049 2.264 8.223 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.291 3.815 10.870 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -7.709 4.711 11.425 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -9.835 3.419 8.928 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -9.708 4.487 10.330 1.00 3.90 H new ATOM 1279 N LEU A 708 -4.992 -0.359 4.831 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.838 -1.071 4.304 1.00 0.30 C ATOM 1281 C LEU A 708 -3.170 -0.264 3.199 1.00 0.23 C ATOM 1282 O LEU A 708 -1.949 -0.113 3.188 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.247 -2.452 3.771 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.530 -3.537 4.826 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.313 -3.761 5.707 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.746 -3.190 5.675 1.00 1.02 C ATOM 0 H LEU A 708 -5.879 -0.845 4.700 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.127 -1.209 5.118 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.140 -2.331 3.158 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.456 -2.813 3.114 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.750 -4.462 4.293 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.535 -4.532 6.445 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.472 -4.080 5.091 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.057 -2.832 6.217 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.915 -3.979 6.408 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.572 -2.246 6.191 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.623 -3.097 5.034 1.00 1.02 H new ATOM 1298 N ALA A 709 -3.981 0.264 2.287 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.476 1.068 1.181 1.00 0.18 C ATOM 1300 C ALA A 709 -2.704 2.279 1.694 1.00 0.19 C ATOM 1301 O ALA A 709 -1.612 2.577 1.210 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.617 1.502 0.276 1.00 0.21 C ATOM 0 H ALA A 709 -4.994 0.148 2.293 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.788 0.454 0.600 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.223 2.101 -0.545 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.118 0.621 -0.126 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.330 2.095 0.849 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.264 2.951 2.696 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.608 4.112 3.294 1.00 0.29 C ATOM 1310 C ASN A 710 -1.271 3.715 3.906 1.00 0.25 C ATOM 1311 O ASN A 710 -0.246 4.340 3.636 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.498 4.760 4.364 1.00 0.38 C ATOM 1313 CG ASN A 710 -4.518 5.727 3.784 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -4.269 6.928 3.699 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -5.673 5.217 3.382 1.00 1.45 N ATOM 0 H ASN A 710 -4.166 2.714 3.110 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.435 4.840 2.501 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.020 3.979 4.916 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -2.869 5.290 5.079 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -6.390 5.826 2.987 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -5.846 4.215 3.468 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.288 2.665 4.721 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.075 2.164 5.360 1.00 0.26 C ATOM 1324 C GLN A 711 0.996 1.810 4.329 1.00 0.22 C ATOM 1325 O GLN A 711 2.114 2.322 4.382 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.400 0.941 6.218 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.178 1.267 7.484 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.754 0.032 8.156 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -2.787 0.103 8.818 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -1.098 -1.109 7.984 1.00 1.09 N ATOM 0 H GLN A 711 -2.132 2.142 4.956 1.00 0.25 H new ATOM 0 HA GLN A 711 0.320 2.957 5.995 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.975 0.233 5.621 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.530 0.444 6.493 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.522 1.784 8.185 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -1.989 1.954 7.240 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -0.244 -1.127 7.427 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -1.448 -1.968 8.409 1.00 1.09 H new ATOM 1339 N TYR A 712 0.646 0.937 3.395 1.00 0.20 N ATOM 1340 CA TYR A 712 1.598 0.480 2.387 1.00 0.20 C ATOM 1341 C TYR A 712 2.107 1.631 1.523 1.00 0.20 C ATOM 1342 O TYR A 712 3.267 1.629 1.109 1.00 0.21 O ATOM 1343 CB TYR A 712 0.988 -0.623 1.520 1.00 0.22 C ATOM 1344 CG TYR A 712 0.587 -1.852 2.308 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.261 -2.216 3.470 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.468 -2.646 1.890 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.891 -3.335 4.188 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.843 -3.766 2.602 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.162 -4.107 3.750 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.535 -5.222 4.463 1.00 0.44 O ATOM 0 H TYR A 712 -0.286 0.531 3.312 1.00 0.20 H new ATOM 0 HA TYR A 712 2.456 0.066 2.916 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.112 -0.228 1.005 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.706 -0.911 0.752 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.087 -1.613 3.816 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.006 -2.384 0.991 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.424 -3.604 5.088 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.668 -4.374 2.261 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.352 -5.600 4.076 1.00 0.44 H new ATOM 1360 N TYR A 713 1.265 2.630 1.273 1.00 0.21 N ATOM 1361 CA TYR A 713 1.702 3.788 0.500 1.00 0.25 C ATOM 1362 C TYR A 713 2.666 4.628 1.335 1.00 0.23 C ATOM 1363 O TYR A 713 3.693 5.095 0.839 1.00 0.25 O ATOM 1364 CB TYR A 713 0.510 4.640 0.049 1.00 0.32 C ATOM 1365 CG TYR A 713 0.841 5.564 -1.102 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.274 6.865 -0.877 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.729 5.129 -2.416 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.586 7.703 -1.928 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.038 5.963 -3.472 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.466 7.249 -3.223 1.00 2.20 C ATOM 1371 OH TYR A 713 1.783 8.081 -4.274 1.00 2.95 O ATOM 0 H TYR A 713 0.295 2.662 1.587 1.00 0.21 H new ATOM 0 HA TYR A 713 2.212 3.431 -0.395 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.308 3.982 -0.245 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.155 5.233 0.892 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.368 7.226 0.137 1.00 1.81 H new ATOM 0 HD2 TYR A 713 0.395 4.122 -2.615 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.923 8.711 -1.736 1.00 2.50 H new ATOM 0 HE2 TYR A 713 0.945 5.609 -4.488 1.00 1.50 H new ATOM 0 HH TYR A 713 1.644 7.606 -5.120 1.00 2.95 H new ATOM 1381 N GLN A 714 2.343 4.779 2.617 1.00 0.24 N ATOM 1382 CA GLN A 714 3.189 5.514 3.552 1.00 0.28 C ATOM 1383 C GLN A 714 4.523 4.797 3.721 1.00 0.23 C ATOM 1384 O GLN A 714 5.553 5.408 4.019 1.00 0.26 O ATOM 1385 CB GLN A 714 2.487 5.624 4.907 1.00 0.36 C ATOM 1386 CG GLN A 714 3.164 6.566 5.886 1.00 0.65 C ATOM 1387 CD GLN A 714 2.453 6.617 7.224 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.865 5.500 7.624 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 2.440 7.645 7.899 1.00 1.98 N flip ATOM 0 H GLN A 714 1.494 4.398 3.034 1.00 0.24 H new ATOM 0 HA GLN A 714 3.370 6.514 3.158 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.463 5.960 4.746 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.430 4.632 5.355 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.196 6.248 6.038 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.199 7.568 5.458 1.00 0.65 H new ATOM 0 HE21 GLN A 714 2.905 8.486 7.556 1.00 1.98 H new ATOM 0 HE22 GLN A 714 1.965 7.657 8.801 1.00 1.98 H new ATOM 1398 N LYS A 715 4.503 3.496 3.481 1.00 0.21 N ATOM 1399 CA LYS A 715 5.687 2.683 3.650 1.00 0.22 C ATOM 1400 C LYS A 715 6.509 2.732 2.368 1.00 0.20 C ATOM 1401 O LYS A 715 7.736 2.673 2.402 1.00 0.23 O ATOM 1402 CB LYS A 715 5.306 1.239 3.998 1.00 0.27 C ATOM 1403 CG LYS A 715 6.488 0.359 4.383 1.00 0.61 C ATOM 1404 CD LYS A 715 7.118 0.800 5.695 1.00 0.86 C ATOM 1405 CE LYS A 715 8.184 -0.176 6.159 1.00 1.16 C ATOM 1406 NZ LYS A 715 8.801 0.243 7.444 1.00 1.67 N ATOM 0 H LYS A 715 3.678 2.984 3.169 1.00 0.21 H new ATOM 0 HA LYS A 715 6.282 3.075 4.475 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.593 1.251 4.822 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.798 0.793 3.143 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.158 -0.676 4.469 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.237 0.390 3.592 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.558 1.790 5.573 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.346 0.886 6.459 1.00 0.86 H new ATOM 0 HE2 LYS A 715 7.743 -1.166 6.274 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.957 -0.258 5.395 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 9.271 -0.573 7.886 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 9.501 0.991 7.265 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 8.063 0.605 8.082 1.00 1.67 H new ATOM 1420 N ALA A 716 5.816 2.860 1.239 1.00 0.17 N ATOM 1421 CA ALA A 716 6.468 3.053 -0.046 1.00 0.18 C ATOM 1422 C ALA A 716 7.215 4.378 -0.058 1.00 0.21 C ATOM 1423 O ALA A 716 8.380 4.451 -0.472 1.00 0.25 O ATOM 1424 CB ALA A 716 5.441 3.016 -1.169 1.00 0.21 C ATOM 0 H ALA A 716 4.797 2.833 1.192 1.00 0.17 H new ATOM 0 HA ALA A 716 7.183 2.245 -0.202 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.943 3.162 -2.126 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.935 2.050 -1.168 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.709 3.809 -1.019 1.00 0.21 H new ATOM 1430 N GLU A 717 6.543 5.422 0.416 1.00 0.24 N ATOM 1431 CA GLU A 717 7.150 6.736 0.509 1.00 0.32 C ATOM 1432 C GLU A 717 8.336 6.702 1.460 1.00 0.31 C ATOM 1433 O GLU A 717 9.388 7.270 1.166 1.00 0.33 O ATOM 1434 CB GLU A 717 6.119 7.765 0.971 1.00 0.45 C ATOM 1435 CG GLU A 717 5.000 7.995 -0.034 1.00 1.26 C ATOM 1436 CD GLU A 717 5.487 8.660 -1.306 1.00 1.60 C ATOM 1437 OE1 GLU A 717 5.213 9.865 -1.503 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.144 7.982 -2.118 1.00 2.04 O ATOM 0 H GLU A 717 5.577 5.379 0.741 1.00 0.24 H new ATOM 0 HA GLU A 717 7.508 7.027 -0.478 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.686 7.436 1.916 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.623 8.712 1.164 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.537 7.040 -0.282 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.228 8.614 0.423 1.00 1.26 H new ATOM 1445 N GLU A 718 8.159 6.023 2.594 1.00 0.31 N ATOM 1446 CA GLU A 718 9.247 5.825 3.546 1.00 0.36 C ATOM 1447 C GLU A 718 10.424 5.117 2.880 1.00 0.33 C ATOM 1448 O GLU A 718 11.572 5.518 3.050 1.00 0.36 O ATOM 1449 CB GLU A 718 8.765 5.005 4.744 1.00 0.43 C ATOM 1450 CG GLU A 718 9.841 4.748 5.789 1.00 1.06 C ATOM 1451 CD GLU A 718 9.380 3.809 6.884 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.545 4.222 7.716 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.851 2.652 6.923 1.00 2.20 O ATOM 0 H GLU A 718 7.273 5.602 2.873 1.00 0.31 H new ATOM 0 HA GLU A 718 9.575 6.805 3.892 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.931 5.525 5.216 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.383 4.048 4.387 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.721 4.328 5.302 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.144 5.696 6.233 1.00 1.06 H new ATOM 1460 N ALA A 719 10.121 4.074 2.112 1.00 0.28 N ATOM 1461 CA ALA A 719 11.146 3.288 1.436 1.00 0.29 C ATOM 1462 C ALA A 719 12.036 4.168 0.567 1.00 0.30 C ATOM 1463 O ALA A 719 13.262 4.138 0.690 1.00 0.37 O ATOM 1464 CB ALA A 719 10.506 2.192 0.595 1.00 0.28 C ATOM 0 H ALA A 719 9.168 3.753 1.942 1.00 0.28 H new ATOM 0 HA ALA A 719 11.772 2.828 2.201 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.285 1.614 0.097 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.921 1.534 1.238 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.853 2.642 -0.153 1.00 0.28 H new ATOM 1470 N TRP A 720 11.418 4.962 -0.298 1.00 0.26 N ATOM 1471 CA TRP A 720 12.177 5.823 -1.201 1.00 0.28 C ATOM 1472 C TRP A 720 12.800 7.011 -0.470 1.00 0.33 C ATOM 1473 O TRP A 720 13.868 7.484 -0.850 1.00 0.36 O ATOM 1474 CB TRP A 720 11.300 6.326 -2.353 1.00 0.29 C ATOM 1475 CG TRP A 720 10.802 5.234 -3.256 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.434 4.057 -3.549 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.578 5.229 -4.006 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.672 3.317 -4.420 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.532 4.014 -4.719 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.513 6.127 -4.144 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.469 3.677 -5.551 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.460 5.791 -4.972 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.443 4.576 -5.667 1.00 0.45 C ATOM 0 H TRP A 720 10.405 5.029 -0.395 1.00 0.26 H new ATOM 0 HA TRP A 720 12.984 5.214 -1.608 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.445 6.861 -1.940 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.869 7.043 -2.945 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.392 3.754 -3.153 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.916 2.396 -4.785 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.515 7.067 -3.612 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.454 2.739 -6.086 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.635 6.478 -5.085 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.605 4.343 -6.307 1.00 0.45 H new