USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 687 SER OG : rot 180:sc= 0 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 96:sc= 1.22 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.163 (180deg=-1.2) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 722 HIS : no HE2:sc= 0.89 K(o=0.89,f=-7.4!) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 38.238 -17.861 -22.028 1.00 1.00 N ATOM 2 CA PRO A 685 38.632 -18.778 -23.119 1.00 1.00 C ATOM 3 C PRO A 685 38.232 -18.157 -24.450 1.00 1.00 C ATOM 4 O PRO A 685 39.083 -17.711 -25.219 1.00 1.00 O ATOM 5 CB PRO A 685 37.914 -20.108 -22.916 1.00 1.00 C ATOM 6 CG PRO A 685 37.063 -19.929 -21.693 1.00 1.00 C ATOM 7 CD PRO A 685 37.055 -18.431 -21.327 1.00 1.00 C ATOM 0 HA PRO A 685 39.709 -18.946 -23.115 1.00 1.00 H new ATOM 0 HB2 PRO A 685 37.304 -20.360 -23.784 1.00 1.00 H new ATOM 0 HB3 PRO A 685 38.627 -20.921 -22.781 1.00 1.00 H new ATOM 0 HG2 PRO A 685 36.048 -20.280 -21.881 1.00 1.00 H new ATOM 0 HG3 PRO A 685 37.456 -20.520 -20.866 1.00 1.00 H new ATOM 0 HD2 PRO A 685 36.133 -17.949 -21.652 1.00 1.00 H new ATOM 0 HD3 PRO A 685 37.127 -18.287 -20.249 1.00 1.00 H new ATOM 17 N GLU A 686 36.933 -18.126 -24.709 1.00 1.00 N ATOM 18 CA GLU A 686 36.429 -17.547 -25.947 1.00 1.00 C ATOM 19 C GLU A 686 36.649 -16.035 -25.961 1.00 1.00 C ATOM 20 O GLU A 686 36.942 -15.449 -27.003 1.00 1.00 O ATOM 21 CB GLU A 686 34.937 -17.855 -26.093 1.00 1.00 C ATOM 22 CG GLU A 686 34.751 -19.355 -26.311 1.00 1.00 C ATOM 23 CD GLU A 686 33.267 -19.705 -26.321 1.00 1.00 C ATOM 24 OE1 GLU A 686 32.467 -18.816 -26.079 1.00 1.00 O ATOM 25 OE2 GLU A 686 32.953 -20.854 -26.580 1.00 1.00 O ATOM 0 H GLU A 686 36.214 -18.491 -24.085 1.00 1.00 H new ATOM 0 HA GLU A 686 36.973 -17.986 -26.783 1.00 1.00 H new ATOM 0 HB2 GLU A 686 34.399 -17.536 -25.200 1.00 1.00 H new ATOM 0 HB3 GLU A 686 34.519 -17.299 -26.933 1.00 1.00 H new ATOM 0 HG2 GLU A 686 35.209 -19.652 -27.254 1.00 1.00 H new ATOM 0 HG3 GLU A 686 35.258 -19.910 -25.522 1.00 1.00 H new ATOM 32 N SER A 687 36.505 -15.411 -24.796 1.00 1.00 N ATOM 33 CA SER A 687 36.688 -13.964 -24.679 1.00 1.00 C ATOM 34 C SER A 687 36.035 -13.230 -25.841 1.00 1.00 C ATOM 35 O SER A 687 36.721 -12.752 -26.744 1.00 1.00 O ATOM 36 CB SER A 687 38.179 -13.623 -24.653 1.00 1.00 C ATOM 37 OG SER A 687 38.817 -14.347 -23.609 1.00 1.00 O ATOM 0 H SER A 687 36.264 -15.879 -23.923 1.00 1.00 H new ATOM 0 HA SER A 687 36.215 -13.645 -23.750 1.00 1.00 H new ATOM 0 HB2 SER A 687 38.635 -13.870 -25.612 1.00 1.00 H new ATOM 0 HB3 SER A 687 38.315 -12.552 -24.502 1.00 1.00 H new ATOM 0 HG SER A 687 39.772 -14.128 -23.596 1.00 1.00 H new ATOM 43 N PRO A 688 34.735 -13.124 -25.828 1.00 1.00 N ATOM 44 CA PRO A 688 33.981 -12.419 -26.907 1.00 1.00 C ATOM 45 C PRO A 688 34.383 -10.952 -27.016 1.00 1.00 C ATOM 46 O PRO A 688 34.654 -10.299 -26.010 1.00 1.00 O ATOM 47 CB PRO A 688 32.510 -12.554 -26.490 1.00 1.00 C ATOM 48 CG PRO A 688 32.468 -13.638 -25.460 1.00 1.00 C ATOM 49 CD PRO A 688 33.842 -13.664 -24.794 1.00 1.00 C ATOM 0 HA PRO A 688 34.183 -12.847 -27.889 1.00 1.00 H new ATOM 0 HB2 PRO A 688 32.133 -11.616 -26.084 1.00 1.00 H new ATOM 0 HB3 PRO A 688 31.884 -12.805 -27.346 1.00 1.00 H new ATOM 0 HG2 PRO A 688 31.686 -13.444 -24.726 1.00 1.00 H new ATOM 0 HG3 PRO A 688 32.243 -14.600 -25.920 1.00 1.00 H new ATOM 0 HD2 PRO A 688 33.861 -13.056 -23.890 1.00 1.00 H new ATOM 0 HD3 PRO A 688 34.129 -14.675 -24.504 1.00 1.00 H new ATOM 57 N LYS A 689 34.418 -10.445 -28.248 1.00 1.00 N ATOM 58 CA LYS A 689 34.790 -9.053 -28.497 1.00 1.00 C ATOM 59 C LYS A 689 35.873 -8.589 -27.529 1.00 1.00 C ATOM 60 O LYS A 689 37.064 -8.770 -27.788 1.00 1.00 O ATOM 61 CB LYS A 689 33.568 -8.150 -28.352 1.00 1.00 C ATOM 62 CG LYS A 689 32.581 -8.438 -29.479 1.00 1.00 C ATOM 63 CD LYS A 689 31.359 -7.535 -29.312 1.00 1.00 C ATOM 64 CE LYS A 689 30.359 -7.814 -30.432 1.00 1.00 C ATOM 65 NZ LYS A 689 29.168 -6.943 -30.248 1.00 1.00 N ATOM 0 H LYS A 689 34.193 -10.977 -29.089 1.00 1.00 H new ATOM 0 HA LYS A 689 35.179 -8.990 -29.513 1.00 1.00 H new ATOM 0 HB2 LYS A 689 33.092 -8.318 -27.386 1.00 1.00 H new ATOM 0 HB3 LYS A 689 33.871 -7.103 -28.380 1.00 1.00 H new ATOM 0 HG2 LYS A 689 33.051 -8.260 -30.446 1.00 1.00 H new ATOM 0 HG3 LYS A 689 32.281 -9.486 -29.458 1.00 1.00 H new ATOM 0 HD2 LYS A 689 30.893 -7.712 -28.343 1.00 1.00 H new ATOM 0 HD3 LYS A 689 31.662 -6.488 -29.334 1.00 1.00 H new ATOM 0 HE2 LYS A 689 30.818 -7.624 -31.402 1.00 1.00 H new ATOM 0 HE3 LYS A 689 30.063 -8.863 -30.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 28.482 -7.128 -31.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 28.728 -7.146 -29.328 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 29.459 -5.945 -30.280 1.00 1.00 H new ATOM 79 N GLY A 690 35.448 -7.982 -26.419 1.00 1.00 N ATOM 80 CA GLY A 690 36.384 -7.483 -25.420 1.00 1.00 C ATOM 81 C GLY A 690 36.120 -8.112 -24.057 1.00 1.00 C ATOM 82 O GLY A 690 35.342 -9.058 -23.938 1.00 1.00 O ATOM 0 H GLY A 690 34.465 -7.826 -26.193 1.00 1.00 H new ATOM 0 HA2 GLY A 690 37.405 -7.701 -25.733 1.00 1.00 H new ATOM 0 HA3 GLY A 690 36.298 -6.399 -25.346 1.00 1.00 H new ATOM 86 N PRO A 691 36.762 -7.609 -23.035 1.00 1.00 N ATOM 87 CA PRO A 691 36.604 -8.131 -21.646 1.00 1.00 C ATOM 88 C PRO A 691 35.160 -8.004 -21.150 1.00 1.00 C ATOM 89 O PRO A 691 34.488 -7.005 -21.416 1.00 1.00 O ATOM 90 CB PRO A 691 37.564 -7.269 -20.809 1.00 1.00 C ATOM 91 CG PRO A 691 38.483 -6.611 -21.784 1.00 1.00 C ATOM 92 CD PRO A 691 37.708 -6.490 -23.091 1.00 1.00 C ATOM 0 HA PRO A 691 36.832 -9.195 -21.579 1.00 1.00 H new ATOM 0 HB2 PRO A 691 37.016 -6.527 -20.228 1.00 1.00 H new ATOM 0 HB3 PRO A 691 38.121 -7.882 -20.100 1.00 1.00 H new ATOM 0 HG2 PRO A 691 38.793 -5.630 -21.424 1.00 1.00 H new ATOM 0 HG3 PRO A 691 39.389 -7.201 -21.923 1.00 1.00 H new ATOM 0 HD2 PRO A 691 37.193 -5.532 -23.164 1.00 1.00 H new ATOM 0 HD3 PRO A 691 38.367 -6.565 -23.956 1.00 1.00 H new ATOM 100 N ASP A 692 34.693 -9.022 -20.428 1.00 1.00 N ATOM 101 CA ASP A 692 33.330 -9.024 -19.903 1.00 1.00 C ATOM 102 C ASP A 692 33.302 -9.606 -18.492 1.00 1.00 C ATOM 103 O ASP A 692 32.740 -9.004 -17.576 1.00 1.00 O ATOM 104 CB ASP A 692 32.424 -9.853 -20.822 1.00 1.00 C ATOM 105 CG ASP A 692 32.139 -9.088 -22.111 1.00 1.00 C ATOM 106 OD1 ASP A 692 32.375 -7.891 -22.136 1.00 1.00 O ATOM 107 OD2 ASP A 692 31.693 -9.713 -23.058 1.00 1.00 O ATOM 0 H ASP A 692 35.237 -9.853 -20.194 1.00 1.00 H new ATOM 0 HA ASP A 692 32.968 -7.997 -19.865 1.00 1.00 H new ATOM 0 HB2 ASP A 692 32.902 -10.805 -21.054 1.00 1.00 H new ATOM 0 HB3 ASP A 692 31.488 -10.082 -20.312 1.00 1.00 H new ATOM 112 N ILE A 693 33.952 -10.753 -18.317 1.00 1.00 N ATOM 113 CA ILE A 693 34.039 -11.377 -17.001 1.00 1.00 C ATOM 114 C ILE A 693 34.848 -10.468 -16.077 1.00 1.00 C ATOM 115 O ILE A 693 34.508 -10.288 -14.907 1.00 1.00 O ATOM 116 CB ILE A 693 34.711 -12.747 -17.101 1.00 1.00 C ATOM 117 CG1 ILE A 693 33.787 -13.716 -17.851 1.00 1.00 C ATOM 118 CG2 ILE A 693 34.978 -13.270 -15.690 1.00 1.00 C ATOM 119 CD1 ILE A 693 34.547 -14.998 -18.208 1.00 1.00 C ATOM 0 H ILE A 693 34.422 -11.265 -19.063 1.00 1.00 H new ATOM 0 HA ILE A 693 33.035 -11.517 -16.601 1.00 1.00 H new ATOM 0 HB ILE A 693 35.652 -12.663 -17.644 1.00 1.00 H new ATOM 0 HG12 ILE A 693 32.922 -13.957 -17.234 1.00 1.00 H new ATOM 0 HG13 ILE A 693 33.410 -13.243 -18.758 1.00 1.00 H new ATOM 0 HG21 ILE A 693 35.457 -14.247 -15.749 1.00 1.00 H new ATOM 0 HG22 ILE A 693 35.632 -12.576 -15.162 1.00 1.00 H new ATOM 0 HG23 ILE A 693 34.035 -13.360 -15.151 1.00 1.00 H new ATOM 0 HD11 ILE A 693 33.882 -15.679 -18.740 1.00 1.00 H new ATOM 0 HD12 ILE A 693 35.398 -14.752 -18.843 1.00 1.00 H new ATOM 0 HD13 ILE A 693 34.902 -15.477 -17.295 1.00 1.00 H new ATOM 131 N LEU A 694 35.937 -9.924 -16.613 1.00 1.00 N ATOM 132 CA LEU A 694 36.824 -9.057 -15.836 1.00 1.00 C ATOM 133 C LEU A 694 36.096 -7.812 -15.329 1.00 1.00 C ATOM 134 O LEU A 694 36.304 -7.392 -14.191 1.00 1.00 O ATOM 135 CB LEU A 694 38.014 -8.623 -16.697 1.00 1.00 C ATOM 136 CG LEU A 694 38.928 -9.823 -16.982 1.00 1.00 C ATOM 137 CD1 LEU A 694 39.974 -9.414 -18.021 1.00 1.00 C ATOM 138 CD2 LEU A 694 39.638 -10.275 -15.695 1.00 1.00 C ATOM 0 H LEU A 694 36.228 -10.067 -17.580 1.00 1.00 H new ATOM 0 HA LEU A 694 37.169 -9.629 -14.975 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.657 -8.197 -17.635 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.576 -7.842 -16.186 1.00 1.00 H new ATOM 0 HG LEU A 694 38.326 -10.650 -17.358 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.629 -10.260 -18.231 1.00 1.00 H new ATOM 0 HD12 LEU A 694 39.474 -9.106 -18.939 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.566 -8.584 -17.634 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.282 -11.127 -15.915 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.241 -9.455 -15.305 1.00 1.00 H new ATOM 0 HD23 LEU A 694 38.895 -10.564 -14.952 1.00 1.00 H new ATOM 150 N VAL A 695 35.257 -7.218 -16.175 1.00 1.00 N ATOM 151 CA VAL A 695 34.521 -6.014 -15.796 1.00 1.00 C ATOM 152 C VAL A 695 33.574 -6.297 -14.633 1.00 1.00 C ATOM 153 O VAL A 695 33.472 -5.502 -13.698 1.00 1.00 O ATOM 154 CB VAL A 695 33.724 -5.488 -16.992 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.921 -4.252 -16.570 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.688 -5.114 -18.118 1.00 1.00 C ATOM 0 H VAL A 695 35.071 -7.548 -17.122 1.00 1.00 H new ATOM 0 HA VAL A 695 35.243 -5.260 -15.480 1.00 1.00 H new ATOM 0 HB VAL A 695 33.039 -6.260 -17.342 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.354 -3.878 -17.422 1.00 1.00 H new ATOM 0 HG12 VAL A 695 32.235 -4.521 -15.767 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.603 -3.477 -16.220 1.00 1.00 H new ATOM 0 HG21 VAL A 695 34.123 -4.739 -18.971 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.373 -4.342 -17.769 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.256 -5.994 -18.418 1.00 1.00 H new ATOM 166 N VAL A 696 32.875 -7.426 -14.704 1.00 1.00 N ATOM 167 CA VAL A 696 31.926 -7.806 -13.662 1.00 1.00 C ATOM 168 C VAL A 696 32.633 -8.157 -12.354 1.00 1.00 C ATOM 169 O VAL A 696 32.203 -7.725 -11.284 1.00 1.00 O ATOM 170 CB VAL A 696 31.086 -8.998 -14.140 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.182 -9.487 -13.007 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.221 -8.571 -15.326 1.00 1.00 C ATOM 0 H VAL A 696 32.948 -8.094 -15.472 1.00 1.00 H new ATOM 0 HA VAL A 696 31.278 -6.951 -13.468 1.00 1.00 H new ATOM 0 HB VAL A 696 31.754 -9.805 -14.443 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.589 -10.333 -13.354 1.00 1.00 H new ATOM 0 HG12 VAL A 696 30.795 -9.796 -12.160 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.517 -8.680 -12.698 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.625 -9.418 -15.665 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.559 -7.760 -15.021 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.861 -8.230 -16.139 1.00 1.00 H new ATOM 182 N LEU A 697 33.718 -8.923 -12.425 1.00 1.00 N ATOM 183 CA LEU A 697 34.433 -9.277 -11.204 1.00 1.00 C ATOM 184 C LEU A 697 34.942 -8.009 -10.525 1.00 1.00 C ATOM 185 O LEU A 697 34.834 -7.868 -9.306 1.00 1.00 O ATOM 186 CB LEU A 697 35.605 -10.217 -11.525 1.00 1.00 C ATOM 187 CG LEU A 697 35.068 -11.596 -11.946 1.00 1.00 C ATOM 188 CD1 LEU A 697 36.204 -12.429 -12.540 1.00 1.00 C ATOM 189 CD2 LEU A 697 34.488 -12.346 -10.733 1.00 1.00 C ATOM 0 H LEU A 697 34.112 -9.300 -13.287 1.00 1.00 H new ATOM 0 HA LEU A 697 33.752 -9.796 -10.529 1.00 1.00 H new ATOM 0 HB2 LEU A 697 36.214 -9.794 -12.324 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.251 -10.319 -10.653 1.00 1.00 H new ATOM 0 HG LEU A 697 34.282 -11.447 -12.686 1.00 1.00 H new ATOM 0 HD11 LEU A 697 35.822 -13.405 -12.838 1.00 1.00 H new ATOM 0 HD12 LEU A 697 36.612 -11.918 -13.412 1.00 1.00 H new ATOM 0 HD13 LEU A 697 36.989 -12.558 -11.795 1.00 1.00 H new ATOM 0 HD21 LEU A 697 34.114 -13.319 -11.052 1.00 1.00 H new ATOM 0 HD22 LEU A 697 35.268 -12.485 -9.984 1.00 1.00 H new ATOM 0 HD23 LEU A 697 33.671 -11.766 -10.303 1.00 1.00 H new ATOM 201 N LEU A 698 35.480 -7.076 -11.306 1.00 1.00 N ATOM 202 CA LEU A 698 35.977 -5.825 -10.741 1.00 1.00 C ATOM 203 C LEU A 698 34.827 -5.025 -10.127 1.00 1.00 C ATOM 204 O LEU A 698 34.965 -4.450 -9.046 1.00 1.00 O ATOM 205 CB LEU A 698 36.676 -5.003 -11.826 1.00 1.00 C ATOM 206 CG LEU A 698 37.988 -5.695 -12.222 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.565 -5.018 -13.466 1.00 1.00 C ATOM 208 CD2 LEU A 698 39.006 -5.609 -11.074 1.00 1.00 C ATOM 0 H LEU A 698 35.582 -7.160 -12.317 1.00 1.00 H new ATOM 0 HA LEU A 698 36.696 -6.055 -9.955 1.00 1.00 H new ATOM 0 HB2 LEU A 698 36.028 -4.903 -12.696 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.878 -3.996 -11.461 1.00 1.00 H new ATOM 0 HG LEU A 698 37.783 -6.744 -12.434 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.497 -5.508 -13.748 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.851 -5.095 -14.286 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.759 -3.967 -13.251 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.931 -6.104 -11.370 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.211 -4.563 -10.847 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.599 -6.099 -10.189 1.00 1.00 H new ATOM 220 N SER A 699 33.692 -4.989 -10.824 1.00 1.00 N ATOM 221 CA SER A 699 32.535 -4.249 -10.321 1.00 1.00 C ATOM 222 C SER A 699 32.092 -4.802 -8.965 1.00 1.00 C ATOM 223 O SER A 699 31.848 -4.046 -8.025 1.00 1.00 O ATOM 224 CB SER A 699 31.379 -4.350 -11.318 1.00 1.00 C ATOM 225 OG SER A 699 31.786 -3.789 -12.560 1.00 1.00 O ATOM 0 H SER A 699 33.549 -5.453 -11.721 1.00 1.00 H new ATOM 0 HA SER A 699 32.820 -3.204 -10.199 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.089 -5.392 -11.453 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.505 -3.823 -10.935 1.00 1.00 H new ATOM 0 HG SER A 699 32.093 -4.503 -13.157 1.00 1.00 H new ATOM 231 N VAL A 700 32.008 -6.124 -8.865 1.00 1.00 N ATOM 232 CA VAL A 700 31.611 -6.759 -7.609 1.00 1.00 C ATOM 233 C VAL A 700 32.650 -6.473 -6.529 1.00 1.00 C ATOM 234 O VAL A 700 32.300 -6.148 -5.393 1.00 1.00 O ATOM 235 CB VAL A 700 31.453 -8.268 -7.807 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.299 -8.953 -6.452 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.203 -8.539 -8.651 1.00 1.00 C ATOM 0 H VAL A 700 32.206 -6.772 -9.627 1.00 1.00 H new ATOM 0 HA VAL A 700 30.653 -6.348 -7.292 1.00 1.00 H new ATOM 0 HB VAL A 700 32.336 -8.659 -8.313 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.187 -10.027 -6.598 1.00 1.00 H new ATOM 0 HG12 VAL A 700 32.183 -8.760 -5.844 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.417 -8.562 -5.945 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.087 -9.613 -8.794 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.326 -8.144 -8.139 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.306 -8.053 -9.621 1.00 1.00 H new ATOM 247 N MET A 701 33.928 -6.600 -6.880 1.00 1.00 N ATOM 248 CA MET A 701 34.991 -6.349 -5.914 1.00 1.00 C ATOM 249 C MET A 701 34.942 -4.901 -5.427 1.00 1.00 C ATOM 250 O MET A 701 35.176 -4.626 -4.250 1.00 1.00 O ATOM 251 CB MET A 701 36.361 -6.627 -6.538 1.00 1.00 C ATOM 252 CG MET A 701 36.598 -8.138 -6.631 1.00 1.00 C ATOM 253 SD MET A 701 38.197 -8.453 -7.429 1.00 1.00 S ATOM 254 CE MET A 701 39.260 -7.741 -6.145 1.00 1.00 C ATOM 0 H MET A 701 34.248 -6.871 -7.810 1.00 1.00 H new ATOM 0 HA MET A 701 34.840 -7.018 -5.067 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.415 -6.180 -7.531 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.144 -6.164 -5.937 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.583 -8.581 -5.635 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.796 -8.608 -7.201 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.243 -8.211 -6.184 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.364 -6.669 -6.312 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.814 -7.914 -5.166 1.00 1.00 H new ATOM 264 N GLY A 702 34.623 -3.981 -6.337 1.00 1.00 N ATOM 265 CA GLY A 702 34.531 -2.572 -5.970 1.00 1.00 C ATOM 266 C GLY A 702 33.450 -2.375 -4.912 1.00 1.00 C ATOM 267 O GLY A 702 33.640 -1.647 -3.937 1.00 1.00 O ATOM 0 H GLY A 702 34.427 -4.183 -7.317 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.491 -2.224 -5.589 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.302 -1.973 -6.851 1.00 1.00 H new ATOM 271 N ALA A 703 32.310 -3.028 -5.129 1.00 1.00 N ATOM 272 CA ALA A 703 31.191 -2.928 -4.204 1.00 1.00 C ATOM 273 C ALA A 703 31.604 -3.385 -2.812 1.00 1.00 C ATOM 274 O ALA A 703 31.196 -2.793 -1.812 1.00 1.00 O ATOM 275 CB ALA A 703 30.028 -3.787 -4.702 1.00 1.00 C ATOM 0 H ALA A 703 32.140 -3.629 -5.935 1.00 1.00 H new ATOM 0 HA ALA A 703 30.878 -1.885 -4.152 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.193 -3.708 -4.006 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.714 -3.439 -5.686 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.347 -4.827 -4.770 1.00 1.00 H new ATOM 281 N ILE A 704 32.417 -4.438 -2.747 1.00 1.00 N ATOM 282 CA ILE A 704 32.867 -4.944 -1.459 1.00 1.00 C ATOM 283 C ILE A 704 33.746 -3.916 -0.753 1.00 1.00 C ATOM 284 O ILE A 704 33.618 -3.701 0.450 1.00 1.00 O ATOM 285 CB ILE A 704 33.631 -6.254 -1.642 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.644 -7.339 -2.091 1.00 1.00 C ATOM 287 CG2 ILE A 704 34.277 -6.652 -0.314 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.402 -8.592 -2.537 1.00 1.00 C ATOM 0 H ILE A 704 32.770 -4.947 -3.557 1.00 1.00 H new ATOM 0 HA ILE A 704 31.990 -5.131 -0.839 1.00 1.00 H new ATOM 0 HB ILE A 704 34.411 -6.135 -2.394 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.967 -7.586 -1.273 1.00 1.00 H new ATOM 0 HG13 ILE A 704 32.030 -6.966 -2.911 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.823 -7.587 -0.441 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.966 -5.870 0.005 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.503 -6.784 0.442 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.690 -9.355 -2.853 1.00 1.00 H new ATOM 0 HD12 ILE A 704 34.060 -8.342 -3.369 1.00 1.00 H new ATOM 0 HD13 ILE A 704 33.996 -8.973 -1.706 1.00 1.00 H new ATOM 300 N LEU A 705 34.658 -3.301 -1.495 1.00 1.00 N ATOM 301 CA LEU A 705 35.559 -2.316 -0.908 1.00 1.00 C ATOM 302 C LEU A 705 34.783 -1.113 -0.362 1.00 1.00 C ATOM 303 O LEU A 705 35.036 -0.653 0.751 1.00 1.00 O ATOM 304 CB LEU A 705 36.562 -1.846 -1.973 1.00 1.00 C ATOM 305 CG LEU A 705 37.516 -0.794 -1.396 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.236 -1.354 -0.167 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.554 -0.430 -2.460 1.00 1.00 C ATOM 0 H LEU A 705 34.793 -3.463 -2.493 1.00 1.00 H new ATOM 0 HA LEU A 705 36.089 -2.783 -0.078 1.00 1.00 H new ATOM 0 HB2 LEU A 705 37.133 -2.698 -2.342 1.00 1.00 H new ATOM 0 HB3 LEU A 705 36.026 -1.429 -2.825 1.00 1.00 H new ATOM 0 HG LEU A 705 36.946 0.088 -1.105 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.911 -0.598 0.235 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.502 -1.626 0.592 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.808 -2.237 -0.451 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.238 0.318 -2.060 1.00 1.00 H new ATOM 0 HD22 LEU A 705 39.115 -1.321 -2.741 1.00 1.00 H new ATOM 0 HD23 LEU A 705 38.049 -0.027 -3.338 1.00 1.00 H new ATOM 319 N LEU A 706 33.845 -0.605 -1.157 1.00 1.00 N ATOM 320 CA LEU A 706 33.049 0.554 -0.747 1.00 1.00 C ATOM 321 C LEU A 706 32.139 0.280 0.450 1.00 1.00 C ATOM 322 O LEU A 706 32.016 1.128 1.334 1.00 1.00 O ATOM 323 CB LEU A 706 32.205 1.063 -1.918 1.00 1.00 C ATOM 324 CG LEU A 706 32.989 2.112 -2.721 1.00 1.00 C ATOM 325 CD1 LEU A 706 34.263 1.488 -3.304 1.00 1.00 C ATOM 326 CD2 LEU A 706 32.106 2.631 -3.858 1.00 1.00 C ATOM 0 H LEU A 706 33.617 -0.972 -2.081 1.00 1.00 H new ATOM 0 HA LEU A 706 33.767 1.313 -0.436 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.929 0.231 -2.565 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.278 1.498 -1.545 1.00 1.00 H new ATOM 0 HG LEU A 706 33.270 2.934 -2.063 1.00 1.00 H new ATOM 0 HD11 LEU A 706 34.810 2.241 -3.871 1.00 1.00 H new ATOM 0 HD12 LEU A 706 34.890 1.117 -2.493 1.00 1.00 H new ATOM 0 HD13 LEU A 706 33.995 0.662 -3.962 1.00 1.00 H new ATOM 0 HD21 LEU A 706 32.655 3.376 -4.434 1.00 1.00 H new ATOM 0 HD22 LEU A 706 31.827 1.803 -4.509 1.00 1.00 H new ATOM 0 HD23 LEU A 706 31.206 3.084 -3.442 1.00 1.00 H new ATOM 338 N ILE A 707 31.498 -0.884 0.495 1.00 1.00 N ATOM 339 CA ILE A 707 30.619 -1.179 1.623 1.00 1.00 C ATOM 340 C ILE A 707 31.453 -1.426 2.876 1.00 1.00 C ATOM 341 O ILE A 707 31.109 -0.967 3.965 1.00 1.00 O ATOM 342 CB ILE A 707 29.703 -2.379 1.329 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.624 -2.467 2.419 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.520 -3.668 1.310 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.566 -3.511 2.041 1.00 1.00 C ATOM 0 H ILE A 707 31.565 -1.617 -0.211 1.00 1.00 H new ATOM 0 HA ILE A 707 29.974 -0.316 1.789 1.00 1.00 H new ATOM 0 HB ILE A 707 29.233 -2.246 0.355 1.00 1.00 H new ATOM 0 HG12 ILE A 707 29.082 -2.732 3.372 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.152 -1.493 2.552 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.863 -4.512 1.101 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.284 -3.603 0.536 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.997 -3.811 2.280 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.809 -3.561 2.823 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.096 -3.228 1.099 1.00 1.00 H new ATOM 0 HD13 ILE A 707 28.040 -4.486 1.932 1.00 1.00 H new ATOM 357 N GLY A 708 32.561 -2.144 2.704 1.00 1.00 N ATOM 358 CA GLY A 708 33.445 -2.428 3.829 1.00 1.00 C ATOM 359 C GLY A 708 33.963 -1.127 4.433 1.00 1.00 C ATOM 360 O GLY A 708 34.007 -0.970 5.652 1.00 1.00 O ATOM 0 H GLY A 708 32.864 -2.534 1.811 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.910 -3.001 4.586 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.282 -3.042 3.497 1.00 1.00 H new ATOM 364 N LEU A 709 34.353 -0.191 3.574 1.00 1.00 N ATOM 365 CA LEU A 709 34.863 1.089 4.050 1.00 1.00 C ATOM 366 C LEU A 709 33.779 1.830 4.834 1.00 1.00 C ATOM 367 O LEU A 709 34.040 2.386 5.902 1.00 1.00 O ATOM 368 CB LEU A 709 35.304 1.947 2.862 1.00 1.00 C ATOM 369 CG LEU A 709 36.662 1.461 2.330 1.00 1.00 C ATOM 370 CD1 LEU A 709 36.984 2.179 1.015 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.775 1.759 3.346 1.00 1.00 C ATOM 0 H LEU A 709 34.327 -0.292 2.559 1.00 1.00 H new ATOM 0 HA LEU A 709 35.716 0.904 4.703 1.00 1.00 H new ATOM 0 HB2 LEU A 709 34.556 1.897 2.071 1.00 1.00 H new ATOM 0 HB3 LEU A 709 35.377 2.991 3.166 1.00 1.00 H new ATOM 0 HG LEU A 709 36.606 0.385 2.166 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.947 1.834 0.638 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.208 1.960 0.282 1.00 1.00 H new ATOM 0 HD13 LEU A 709 37.026 3.254 1.188 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.729 1.408 2.953 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.828 2.833 3.523 1.00 1.00 H new ATOM 0 HD23 LEU A 709 37.558 1.247 4.284 1.00 1.00 H new ATOM 383 N ALA A 710 32.559 1.827 4.302 1.00 1.00 N ATOM 384 CA ALA A 710 31.452 2.501 4.979 1.00 1.00 C ATOM 385 C ALA A 710 31.258 1.899 6.365 1.00 1.00 C ATOM 386 O ALA A 710 30.948 2.603 7.325 1.00 1.00 O ATOM 387 CB ALA A 710 30.161 2.360 4.168 1.00 1.00 C ATOM 0 H ALA A 710 32.313 1.375 3.421 1.00 1.00 H new ATOM 0 HA ALA A 710 31.691 3.561 5.072 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.348 2.868 4.687 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.299 2.808 3.184 1.00 1.00 H new ATOM 0 HB3 ALA A 710 29.916 1.304 4.055 1.00 1.00 H new ATOM 393 N ALA A 711 31.454 0.588 6.449 1.00 1.00 N ATOM 394 CA ALA A 711 31.314 -0.122 7.713 1.00 1.00 C ATOM 395 C ALA A 711 32.351 0.376 8.712 1.00 1.00 C ATOM 396 O ALA A 711 32.069 0.510 9.902 1.00 1.00 O ATOM 397 CB ALA A 711 31.513 -1.617 7.476 1.00 1.00 C ATOM 0 H ALA A 711 31.710 -0.003 5.658 1.00 1.00 H new ATOM 0 HA ALA A 711 30.318 0.059 8.116 1.00 1.00 H new ATOM 0 HB1 ALA A 711 31.409 -2.152 8.420 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.764 -1.976 6.771 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.509 -1.791 7.068 1.00 1.00 H new ATOM 403 N LEU A 712 33.557 0.625 8.222 1.00 1.00 N ATOM 404 CA LEU A 712 34.639 1.088 9.083 1.00 1.00 C ATOM 405 C LEU A 712 34.319 2.448 9.702 1.00 1.00 C ATOM 406 O LEU A 712 34.566 2.677 10.885 1.00 1.00 O ATOM 407 CB LEU A 712 35.931 1.199 8.261 1.00 1.00 C ATOM 408 CG LEU A 712 37.109 1.614 9.158 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.341 0.559 10.240 1.00 1.00 C ATOM 410 CD2 LEU A 712 38.376 1.744 8.311 1.00 1.00 C ATOM 0 H LEU A 712 33.811 0.516 7.240 1.00 1.00 H new ATOM 0 HA LEU A 712 34.762 0.366 9.890 1.00 1.00 H new ATOM 0 HB2 LEU A 712 36.149 0.243 7.785 1.00 1.00 H new ATOM 0 HB3 LEU A 712 35.799 1.930 7.463 1.00 1.00 H new ATOM 0 HG LEU A 712 36.875 2.570 9.627 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.177 0.862 10.870 1.00 1.00 H new ATOM 0 HD12 LEU A 712 36.443 0.461 10.851 1.00 1.00 H new ATOM 0 HD13 LEU A 712 37.568 -0.399 9.772 1.00 1.00 H new ATOM 0 HD21 LEU A 712 39.211 2.038 8.947 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.599 0.787 7.840 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.223 2.500 7.541 1.00 1.00 H new ATOM 422 N LEU A 713 33.777 3.346 8.889 1.00 1.00 N ATOM 423 CA LEU A 713 33.436 4.689 9.359 1.00 1.00 C ATOM 424 C LEU A 713 32.245 4.691 10.319 1.00 1.00 C ATOM 425 O LEU A 713 32.240 5.435 11.301 1.00 1.00 O ATOM 426 CB LEU A 713 33.129 5.598 8.165 1.00 1.00 C ATOM 427 CG LEU A 713 34.420 6.235 7.629 1.00 1.00 C ATOM 428 CD1 LEU A 713 34.974 7.251 8.639 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.467 5.144 7.377 1.00 1.00 C ATOM 0 H LEU A 713 33.564 3.174 7.907 1.00 1.00 H new ATOM 0 HA LEU A 713 34.300 5.063 9.907 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.646 5.022 7.376 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.429 6.378 8.464 1.00 1.00 H new ATOM 0 HG LEU A 713 34.195 6.750 6.695 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.889 7.694 8.245 1.00 1.00 H new ATOM 0 HD12 LEU A 713 34.236 8.035 8.809 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.191 6.747 9.581 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.382 5.599 6.997 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.681 4.623 8.310 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.083 4.434 6.645 1.00 1.00 H new ATOM 441 N ILE A 714 31.231 3.876 10.032 1.00 1.00 N ATOM 442 CA ILE A 714 30.057 3.849 10.904 1.00 1.00 C ATOM 443 C ILE A 714 30.447 3.336 12.284 1.00 1.00 C ATOM 444 O ILE A 714 30.017 3.879 13.301 1.00 1.00 O ATOM 445 CB ILE A 714 28.921 3.002 10.291 1.00 1.00 C ATOM 446 CG1 ILE A 714 27.573 3.588 10.717 1.00 1.00 C ATOM 447 CG2 ILE A 714 28.990 1.547 10.771 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.175 4.712 9.762 1.00 1.00 C ATOM 0 H ILE A 714 31.196 3.245 9.231 1.00 1.00 H new ATOM 0 HA ILE A 714 29.678 4.866 11.006 1.00 1.00 H new ATOM 0 HB ILE A 714 29.031 3.021 9.207 1.00 1.00 H new ATOM 0 HG12 ILE A 714 26.810 2.809 10.715 1.00 1.00 H new ATOM 0 HG13 ILE A 714 27.637 3.969 11.736 1.00 1.00 H new ATOM 0 HG21 ILE A 714 28.177 0.977 10.322 1.00 1.00 H new ATOM 0 HG22 ILE A 714 29.945 1.112 10.476 1.00 1.00 H new ATOM 0 HG23 ILE A 714 28.897 1.517 11.857 1.00 1.00 H new ATOM 0 HD11 ILE A 714 26.215 5.127 10.068 1.00 1.00 H new ATOM 0 HD12 ILE A 714 27.933 5.495 9.786 1.00 1.00 H new ATOM 0 HD13 ILE A 714 27.093 4.317 8.749 1.00 1.00 H new ATOM 460 N TRP A 715 31.287 2.313 12.319 1.00 1.00 N ATOM 461 CA TRP A 715 31.739 1.779 13.593 1.00 1.00 C ATOM 462 C TRP A 715 32.455 2.894 14.362 1.00 1.00 C ATOM 463 O TRP A 715 32.223 3.096 15.554 1.00 1.00 O ATOM 464 CB TRP A 715 32.690 0.607 13.350 1.00 1.00 C ATOM 465 CG TRP A 715 33.154 0.000 14.643 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.639 0.238 15.880 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.243 -0.943 14.836 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.342 -0.509 16.805 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.341 -1.252 16.210 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.147 -1.554 13.951 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.300 -2.143 16.690 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.116 -2.447 14.430 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.193 -2.739 15.798 1.00 1.00 C ATOM 0 H TRP A 715 31.664 1.843 11.496 1.00 1.00 H new ATOM 0 HA TRP A 715 30.890 1.421 14.175 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.188 -0.152 12.749 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.552 0.949 12.777 1.00 1.00 H new ATOM 0 HD1 TRP A 715 31.816 0.902 16.102 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.146 -0.511 17.806 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.095 -1.334 12.895 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.352 -2.370 17.745 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 36.806 -2.912 13.741 1.00 1.00 H new ATOM 0 HH2 TRP A 715 36.943 -3.425 16.162 1.00 1.00 H new ATOM 484 N LYS A 716 33.332 3.611 13.661 1.00 1.00 N ATOM 485 CA LYS A 716 34.095 4.699 14.269 1.00 1.00 C ATOM 486 C LYS A 716 33.161 5.768 14.836 1.00 1.00 C ATOM 487 O LYS A 716 33.394 6.281 15.930 1.00 1.00 O ATOM 488 CB LYS A 716 34.999 5.336 13.195 1.00 1.00 C ATOM 489 CG LYS A 716 35.922 6.459 13.743 1.00 1.00 C ATOM 490 CD LYS A 716 37.208 5.959 14.461 1.00 1.00 C ATOM 491 CE LYS A 716 36.956 5.340 15.839 1.00 1.00 C ATOM 492 NZ LYS A 716 38.260 5.248 16.563 1.00 1.00 N ATOM 0 H LYS A 716 33.531 3.458 12.672 1.00 1.00 H new ATOM 0 HA LYS A 716 34.696 4.295 15.084 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.616 4.559 12.744 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.373 5.746 12.403 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.214 7.105 12.915 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.350 7.072 14.439 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.701 5.221 13.828 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.898 6.796 14.571 1.00 1.00 H new ATOM 0 HE2 LYS A 716 36.251 5.949 16.405 1.00 1.00 H new ATOM 0 HE3 LYS A 716 36.510 4.351 15.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 38.107 4.829 17.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.917 4.651 16.021 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 38.665 6.200 16.670 1.00 1.00 H new ATOM 506 N LEU A 717 32.125 6.125 14.086 1.00 1.00 N ATOM 507 CA LEU A 717 31.200 7.160 14.537 1.00 1.00 C ATOM 508 C LEU A 717 30.491 6.768 15.836 1.00 1.00 C ATOM 509 O LEU A 717 30.383 7.582 16.750 1.00 1.00 O ATOM 510 CB LEU A 717 30.160 7.441 13.439 1.00 1.00 C ATOM 511 CG LEU A 717 29.174 8.529 13.893 1.00 1.00 C ATOM 512 CD1 LEU A 717 29.934 9.819 14.207 1.00 1.00 C ATOM 513 CD2 LEU A 717 28.167 8.803 12.773 1.00 1.00 C ATOM 0 H LEU A 717 31.905 5.721 13.176 1.00 1.00 H new ATOM 0 HA LEU A 717 31.781 8.060 14.737 1.00 1.00 H new ATOM 0 HB2 LEU A 717 30.664 7.758 12.526 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.617 6.526 13.203 1.00 1.00 H new ATOM 0 HG LEU A 717 28.652 8.187 14.786 1.00 1.00 H new ATOM 0 HD11 LEU A 717 29.230 10.587 14.528 1.00 1.00 H new ATOM 0 HD12 LEU A 717 30.655 9.632 15.003 1.00 1.00 H new ATOM 0 HD13 LEU A 717 30.459 10.159 13.314 1.00 1.00 H new ATOM 0 HD21 LEU A 717 27.467 9.575 13.094 1.00 1.00 H new ATOM 0 HD22 LEU A 717 28.697 9.141 11.882 1.00 1.00 H new ATOM 0 HD23 LEU A 717 27.619 7.889 12.544 1.00 1.00 H new ATOM 525 N LEU A 718 30.019 5.530 15.927 1.00 1.00 N ATOM 526 CA LEU A 718 29.339 5.080 17.147 1.00 1.00 C ATOM 527 C LEU A 718 30.295 5.059 18.339 1.00 1.00 C ATOM 528 O LEU A 718 29.907 5.399 19.458 1.00 1.00 O ATOM 529 CB LEU A 718 28.726 3.691 16.957 1.00 1.00 C ATOM 530 CG LEU A 718 27.292 3.820 16.422 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.277 4.659 15.142 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.741 2.428 16.116 1.00 1.00 C ATOM 0 H LEU A 718 30.089 4.829 15.190 1.00 1.00 H new ATOM 0 HA LEU A 718 28.540 5.793 17.351 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.331 3.109 16.262 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.723 3.153 17.905 1.00 1.00 H new ATOM 0 HG LEU A 718 26.675 4.309 17.176 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.255 4.742 14.774 1.00 1.00 H new ATOM 0 HD12 LEU A 718 27.668 5.654 15.354 1.00 1.00 H new ATOM 0 HD13 LEU A 718 27.897 4.179 14.385 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.723 2.515 15.736 1.00 1.00 H new ATOM 0 HD22 LEU A 718 27.368 1.945 15.367 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.738 1.829 17.027 1.00 1.00 H new ATOM 544 N ILE A 719 31.537 4.650 18.105 1.00 1.00 N ATOM 545 CA ILE A 719 32.522 4.579 19.179 1.00 1.00 C ATOM 546 C ILE A 719 32.794 5.957 19.768 1.00 1.00 C ATOM 547 O ILE A 719 32.885 6.121 20.987 1.00 1.00 O ATOM 548 CB ILE A 719 33.825 3.996 18.632 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.606 2.520 18.295 1.00 1.00 C ATOM 550 CG2 ILE A 719 34.942 4.129 19.675 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.760 2.020 17.430 1.00 1.00 C ATOM 0 H ILE A 719 31.884 4.365 17.189 1.00 1.00 H new ATOM 0 HA ILE A 719 32.125 3.941 19.968 1.00 1.00 H new ATOM 0 HB ILE A 719 34.118 4.541 17.735 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.542 1.932 19.211 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.660 2.392 17.768 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.865 3.710 19.275 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.094 5.182 19.913 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.661 3.589 20.580 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.605 0.968 17.189 1.00 1.00 H new ATOM 0 HD12 ILE A 719 34.802 2.601 16.509 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.698 2.133 17.974 1.00 1.00 H new ATOM 563 N THR A 720 32.898 6.945 18.889 1.00 1.00 N ATOM 564 CA THR A 720 33.144 8.322 19.296 1.00 1.00 C ATOM 565 C THR A 720 31.996 8.850 20.151 1.00 1.00 C ATOM 566 O THR A 720 32.209 9.556 21.133 1.00 1.00 O ATOM 567 CB THR A 720 33.277 9.201 18.054 1.00 1.00 C ATOM 568 OG1 THR A 720 34.147 8.575 17.123 1.00 1.00 O ATOM 569 CG2 THR A 720 33.841 10.564 18.448 1.00 1.00 C ATOM 0 H THR A 720 32.815 6.816 17.881 1.00 1.00 H new ATOM 0 HA THR A 720 34.063 8.348 19.882 1.00 1.00 H new ATOM 0 HB THR A 720 32.296 9.337 17.599 1.00 1.00 H new ATOM 0 HG1 THR A 720 33.646 7.915 16.599 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.935 11.189 17.560 1.00 1.00 H new ATOM 0 HG22 THR A 720 33.170 11.044 19.160 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.822 10.434 18.905 1.00 1.00 H new ATOM 577 N ILE A 721 30.773 8.527 19.742 1.00 1.00 N ATOM 578 CA ILE A 721 29.571 8.989 20.429 1.00 1.00 C ATOM 579 C ILE A 721 29.451 8.455 21.852 1.00 1.00 C ATOM 580 O ILE A 721 29.075 9.201 22.758 1.00 1.00 O ATOM 581 CB ILE A 721 28.327 8.607 19.623 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.296 9.445 18.342 1.00 1.00 C ATOM 583 CG2 ILE A 721 27.073 8.890 20.454 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.245 8.888 17.382 1.00 1.00 C ATOM 0 H ILE A 721 30.587 7.940 18.929 1.00 1.00 H new ATOM 0 HA ILE A 721 29.651 10.073 20.505 1.00 1.00 H new ATOM 0 HB ILE A 721 28.356 7.547 19.372 1.00 1.00 H new ATOM 0 HG12 ILE A 721 28.068 10.484 18.582 1.00 1.00 H new ATOM 0 HG13 ILE A 721 29.277 9.435 17.867 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.187 8.618 19.880 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.105 8.303 21.372 1.00 1.00 H new ATOM 0 HG23 ILE A 721 27.033 9.951 20.702 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.228 9.489 16.473 1.00 1.00 H new ATOM 0 HD12 ILE A 721 27.492 7.856 17.131 1.00 1.00 H new ATOM 0 HD13 ILE A 721 26.264 8.921 17.857 1.00 1.00 H new ATOM 596 N HIS A 722 29.764 7.185 22.066 1.00 1.00 N ATOM 597 CA HIS A 722 29.660 6.649 23.415 1.00 1.00 C ATOM 598 C HIS A 722 30.484 7.510 24.379 1.00 1.00 C ATOM 599 O HIS A 722 30.009 7.870 25.458 1.00 1.00 O ATOM 600 CB HIS A 722 30.141 5.195 23.463 1.00 1.00 C ATOM 601 CG HIS A 722 29.121 4.295 22.811 1.00 1.00 C ATOM 602 ND1 HIS A 722 28.977 4.209 21.433 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.193 3.427 23.338 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.001 3.316 21.183 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.489 2.810 22.307 1.00 1.00 N ATOM 0 H HIS A 722 30.080 6.528 21.353 1.00 1.00 H new ATOM 0 HA HIS A 722 28.613 6.670 23.718 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.099 5.103 22.952 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.300 4.889 24.497 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.513 4.728 20.737 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.034 3.251 24.392 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.672 3.042 20.192 1.00 1.00 H new ATOM 613 N ASP A 723 31.716 7.844 23.991 1.00 1.00 N ATOM 614 CA ASP A 723 32.578 8.670 24.838 1.00 1.00 C ATOM 615 C ASP A 723 32.574 10.126 24.357 1.00 1.00 C ATOM 616 O ASP A 723 33.093 10.437 23.283 1.00 1.00 O ATOM 617 CB ASP A 723 34.008 8.119 24.819 1.00 1.00 C ATOM 618 CG ASP A 723 34.804 8.698 25.988 1.00 1.00 C ATOM 619 OD1 ASP A 723 34.335 9.655 26.581 1.00 1.00 O ATOM 620 OD2 ASP A 723 35.866 8.171 26.278 1.00 1.00 O ATOM 0 H ASP A 723 32.136 7.559 23.106 1.00 1.00 H new ATOM 0 HA ASP A 723 32.193 8.641 25.857 1.00 1.00 H new ATOM 0 HB2 ASP A 723 33.989 7.031 24.884 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.493 8.373 23.876 1.00 1.00 H new ATOM 625 N ARG A 724 31.983 11.010 25.167 1.00 1.00 N ATOM 626 CA ARG A 724 31.907 12.436 24.832 1.00 1.00 C ATOM 627 C ARG A 724 33.292 13.079 24.768 1.00 1.00 C ATOM 628 O ARG A 724 33.534 13.970 23.954 1.00 1.00 O ATOM 629 CB ARG A 724 31.054 13.184 25.863 1.00 1.00 C ATOM 630 CG ARG A 724 29.586 12.798 25.683 1.00 1.00 C ATOM 631 CD ARG A 724 28.721 13.543 26.701 1.00 1.00 C ATOM 632 NE ARG A 724 27.323 13.155 26.540 1.00 1.00 N ATOM 633 CZ ARG A 724 26.384 13.639 27.339 1.00 1.00 C ATOM 634 NH1 ARG A 724 26.706 14.467 28.291 1.00 1.00 N ATOM 635 NH2 ARG A 724 25.139 13.281 27.176 1.00 1.00 N ATOM 0 H ARG A 724 31.551 10.764 26.058 1.00 1.00 H new ATOM 0 HA ARG A 724 31.446 12.509 23.847 1.00 1.00 H new ATOM 0 HB2 ARG A 724 31.385 12.938 26.872 1.00 1.00 H new ATOM 0 HB3 ARG A 724 31.176 14.260 25.740 1.00 1.00 H new ATOM 0 HG2 ARG A 724 29.260 13.038 24.671 1.00 1.00 H new ATOM 0 HG3 ARG A 724 29.466 11.722 25.810 1.00 1.00 H new ATOM 0 HD2 ARG A 724 29.057 13.316 27.713 1.00 1.00 H new ATOM 0 HD3 ARG A 724 28.827 14.619 26.564 1.00 1.00 H new ATOM 0 HE ARG A 724 27.065 12.501 25.801 1.00 1.00 H new ATOM 0 HH11 ARG A 724 27.680 14.742 28.420 1.00 1.00 H new ATOM 0 HH12 ARG A 724 25.984 14.841 28.907 1.00 1.00 H new ATOM 0 HH21 ARG A 724 24.889 12.628 26.433 1.00 1.00 H new ATOM 0 HH22 ARG A 724 24.416 13.654 27.792 1.00 1.00 H new ATOM 649 N LYS A 725 34.192 12.642 25.641 1.00 1.00 N ATOM 650 CA LYS A 725 35.540 13.206 25.680 1.00 1.00 C ATOM 651 C LYS A 725 36.276 12.984 24.361 1.00 1.00 C ATOM 652 O LYS A 725 36.948 13.887 23.860 1.00 1.00 O ATOM 653 CB LYS A 725 36.336 12.574 26.823 1.00 1.00 C ATOM 654 CG LYS A 725 35.747 13.025 28.162 1.00 1.00 C ATOM 655 CD LYS A 725 36.579 12.468 29.321 1.00 1.00 C ATOM 656 CE LYS A 725 36.478 10.939 29.361 1.00 1.00 C ATOM 657 NZ LYS A 725 36.770 10.464 30.739 1.00 1.00 N ATOM 0 H LYS A 725 34.018 11.906 26.326 1.00 1.00 H new ATOM 0 HA LYS A 725 35.449 14.280 25.843 1.00 1.00 H new ATOM 0 HB2 LYS A 725 36.303 11.487 26.746 1.00 1.00 H new ATOM 0 HB3 LYS A 725 37.384 12.867 26.757 1.00 1.00 H new ATOM 0 HG2 LYS A 725 35.726 14.114 28.210 1.00 1.00 H new ATOM 0 HG3 LYS A 725 34.716 12.683 28.248 1.00 1.00 H new ATOM 0 HD2 LYS A 725 37.621 12.768 29.207 1.00 1.00 H new ATOM 0 HD3 LYS A 725 36.228 12.887 30.264 1.00 1.00 H new ATOM 0 HE2 LYS A 725 35.481 10.621 29.058 1.00 1.00 H new ATOM 0 HE3 LYS A 725 37.182 10.498 28.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 36.702 9.427 30.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 37.730 10.757 31.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 36.082 10.876 31.401 1.00 1.00 H new ATOM 671 N GLU A 726 36.157 11.784 23.802 1.00 1.00 N ATOM 672 CA GLU A 726 36.831 11.478 22.547 1.00 1.00 C ATOM 673 C GLU A 726 36.208 12.266 21.394 1.00 1.00 C ATOM 674 O GLU A 726 34.988 12.405 21.312 1.00 1.00 O ATOM 675 CB GLU A 726 36.760 9.974 22.268 1.00 1.00 C ATOM 676 CG GLU A 726 37.586 9.231 23.322 1.00 1.00 C ATOM 677 CD GLU A 726 37.513 7.726 23.088 1.00 1.00 C ATOM 678 OE1 GLU A 726 36.785 7.317 22.199 1.00 1.00 O ATOM 679 OE2 GLU A 726 38.184 7.003 23.808 1.00 1.00 O ATOM 0 H GLU A 726 35.608 11.018 24.192 1.00 1.00 H new ATOM 0 HA GLU A 726 37.877 11.771 22.632 1.00 1.00 H new ATOM 0 HB2 GLU A 726 35.724 9.635 22.294 1.00 1.00 H new ATOM 0 HB3 GLU A 726 37.141 9.758 21.270 1.00 1.00 H new ATOM 0 HG2 GLU A 726 38.624 9.562 23.280 1.00 1.00 H new ATOM 0 HG3 GLU A 726 37.215 9.469 24.319 1.00 1.00 H new ATOM 686 N PHE A 727 37.060 12.791 20.514 1.00 1.00 N ATOM 687 CA PHE A 727 36.589 13.575 19.374 1.00 1.00 C ATOM 688 C PHE A 727 36.708 12.774 18.081 1.00 1.00 C ATOM 689 O PHE A 727 37.523 11.869 18.042 1.00 1.00 O ATOM 690 CB PHE A 727 37.402 14.870 19.257 1.00 1.00 C ATOM 691 CG PHE A 727 38.852 14.541 18.987 1.00 1.00 C ATOM 692 CD1 PHE A 727 39.288 14.365 17.670 1.00 1.00 C ATOM 693 CD2 PHE A 727 39.760 14.410 20.052 1.00 1.00 C ATOM 694 CE1 PHE A 727 40.629 14.059 17.414 1.00 1.00 C ATOM 695 CE2 PHE A 727 41.101 14.103 19.792 1.00 1.00 C ATOM 696 CZ PHE A 727 41.535 13.927 18.475 1.00 1.00 C ATOM 697 OXT PHE A 727 35.982 13.078 17.150 1.00 1.00 O ATOM 0 H PHE A 727 38.073 12.688 20.568 1.00 1.00 H new ATOM 0 HA PHE A 727 35.539 13.820 19.536 1.00 1.00 H new ATOM 0 HB2 PHE A 727 37.004 15.489 18.453 1.00 1.00 H new ATOM 0 HB3 PHE A 727 37.316 15.449 20.177 1.00 1.00 H new ATOM 0 HD1 PHE A 727 38.590 14.465 16.852 1.00 1.00 H new ATOM 0 HD2 PHE A 727 39.424 14.546 21.069 1.00 1.00 H new ATOM 0 HE1 PHE A 727 40.967 13.924 16.397 1.00 1.00 H new ATOM 0 HE2 PHE A 727 41.800 14.002 20.609 1.00 1.00 H new ATOM 0 HZ PHE A 727 42.569 13.689 18.275 1.00 1.00 H new TER 707 PHE A 727