USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 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= -0.436 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 74:sc= 1.22 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.18 (180deg=-1.22) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 722 HIS : no HE2:sc= 0.519 K(o=0.52,f=-8.2!) USER MOD Single : A 725 LYS NZ :NH3+ 161:sc= -0.0388 (180deg=-0.434) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 40.493 -11.549 -35.462 1.00 1.00 N ATOM 2 CA PRO A 685 39.144 -11.000 -35.175 1.00 1.00 C ATOM 3 C PRO A 685 39.095 -10.477 -33.739 1.00 1.00 C ATOM 4 O PRO A 685 38.517 -9.423 -33.471 1.00 1.00 O ATOM 5 CB PRO A 685 38.123 -12.118 -35.367 1.00 1.00 C ATOM 6 CG PRO A 685 38.871 -13.211 -36.064 1.00 1.00 C ATOM 7 CD PRO A 685 40.368 -12.997 -35.785 1.00 1.00 C ATOM 0 HA PRO A 685 38.918 -10.174 -35.849 1.00 1.00 H new ATOM 0 HB2 PRO A 685 37.727 -12.459 -34.411 1.00 1.00 H new ATOM 0 HB3 PRO A 685 37.274 -11.780 -35.961 1.00 1.00 H new ATOM 0 HG2 PRO A 685 38.549 -14.187 -35.702 1.00 1.00 H new ATOM 0 HG3 PRO A 685 38.674 -13.188 -37.136 1.00 1.00 H new ATOM 0 HD2 PRO A 685 40.708 -13.618 -34.956 1.00 1.00 H new ATOM 0 HD3 PRO A 685 40.974 -13.262 -36.652 1.00 1.00 H new ATOM 17 N GLU A 686 39.712 -11.217 -32.821 1.00 1.00 N ATOM 18 CA GLU A 686 39.742 -10.820 -31.416 1.00 1.00 C ATOM 19 C GLU A 686 40.707 -9.656 -31.203 1.00 1.00 C ATOM 20 O GLU A 686 41.827 -9.670 -31.714 1.00 1.00 O ATOM 21 CB GLU A 686 40.175 -12.005 -30.550 1.00 1.00 C ATOM 22 CG GLU A 686 39.075 -13.067 -30.540 1.00 1.00 C ATOM 23 CD GLU A 686 39.547 -14.294 -29.766 1.00 1.00 C ATOM 24 OE1 GLU A 686 40.684 -14.293 -29.326 1.00 1.00 O ATOM 25 OE2 GLU A 686 38.760 -15.216 -29.619 1.00 1.00 O ATOM 0 H GLU A 686 40.196 -12.092 -33.024 1.00 1.00 H new ATOM 0 HA GLU A 686 38.740 -10.502 -31.128 1.00 1.00 H new ATOM 0 HB2 GLU A 686 41.101 -12.431 -30.936 1.00 1.00 H new ATOM 0 HB3 GLU A 686 40.379 -11.669 -29.533 1.00 1.00 H new ATOM 0 HG2 GLU A 686 38.171 -12.663 -30.083 1.00 1.00 H new ATOM 0 HG3 GLU A 686 38.818 -13.347 -31.562 1.00 1.00 H new ATOM 32 N SER A 687 40.266 -8.654 -30.442 1.00 1.00 N ATOM 33 CA SER A 687 41.098 -7.488 -30.158 1.00 1.00 C ATOM 34 C SER A 687 41.353 -7.378 -28.655 1.00 1.00 C ATOM 35 O SER A 687 40.742 -8.099 -27.865 1.00 1.00 O ATOM 36 CB SER A 687 40.403 -6.219 -30.657 1.00 1.00 C ATOM 37 OG SER A 687 41.274 -5.516 -31.535 1.00 1.00 O ATOM 0 H SER A 687 39.341 -8.627 -30.013 1.00 1.00 H new ATOM 0 HA SER A 687 42.052 -7.602 -30.673 1.00 1.00 H new ATOM 0 HB2 SER A 687 39.479 -6.477 -31.174 1.00 1.00 H new ATOM 0 HB3 SER A 687 40.130 -5.585 -29.813 1.00 1.00 H new ATOM 0 HG SER A 687 40.829 -4.704 -31.856 1.00 1.00 H new ATOM 43 N PRO A 688 42.229 -6.494 -28.237 1.00 1.00 N ATOM 44 CA PRO A 688 42.539 -6.310 -26.788 1.00 1.00 C ATOM 45 C PRO A 688 41.272 -6.105 -25.963 1.00 1.00 C ATOM 46 O PRO A 688 41.131 -6.657 -24.871 1.00 1.00 O ATOM 47 CB PRO A 688 43.408 -5.050 -26.751 1.00 1.00 C ATOM 48 CG PRO A 688 43.994 -4.922 -28.117 1.00 1.00 C ATOM 49 CD PRO A 688 43.019 -5.587 -29.088 1.00 1.00 C ATOM 0 HA PRO A 688 43.032 -7.184 -26.363 1.00 1.00 H new ATOM 0 HB2 PRO A 688 42.814 -4.172 -26.496 1.00 1.00 H new ATOM 0 HB3 PRO A 688 44.190 -5.136 -25.996 1.00 1.00 H new ATOM 0 HG2 PRO A 688 44.141 -3.874 -28.376 1.00 1.00 H new ATOM 0 HG3 PRO A 688 44.972 -5.402 -28.163 1.00 1.00 H new ATOM 0 HD2 PRO A 688 42.385 -4.851 -29.583 1.00 1.00 H new ATOM 0 HD3 PRO A 688 43.546 -6.132 -29.871 1.00 1.00 H new ATOM 57 N LYS A 689 40.346 -5.316 -26.502 1.00 1.00 N ATOM 58 CA LYS A 689 39.086 -5.051 -25.820 1.00 1.00 C ATOM 59 C LYS A 689 38.014 -6.008 -26.330 1.00 1.00 C ATOM 60 O LYS A 689 37.944 -6.288 -27.526 1.00 1.00 O ATOM 61 CB LYS A 689 38.639 -3.607 -26.073 1.00 1.00 C ATOM 62 CG LYS A 689 37.379 -3.308 -25.251 1.00 1.00 C ATOM 63 CD LYS A 689 36.932 -1.866 -25.504 1.00 1.00 C ATOM 64 CE LYS A 689 35.684 -1.561 -24.673 1.00 1.00 C ATOM 65 NZ LYS A 689 35.265 -0.150 -24.913 1.00 1.00 N ATOM 0 H LYS A 689 40.445 -4.852 -27.405 1.00 1.00 H new ATOM 0 HA LYS A 689 39.230 -5.198 -24.750 1.00 1.00 H new ATOM 0 HB2 LYS A 689 39.436 -2.916 -25.800 1.00 1.00 H new ATOM 0 HB3 LYS A 689 38.437 -3.458 -27.134 1.00 1.00 H new ATOM 0 HG2 LYS A 689 36.582 -4.000 -25.524 1.00 1.00 H new ATOM 0 HG3 LYS A 689 37.581 -3.456 -24.190 1.00 1.00 H new ATOM 0 HD2 LYS A 689 37.733 -1.175 -25.242 1.00 1.00 H new ATOM 0 HD3 LYS A 689 36.720 -1.721 -26.563 1.00 1.00 H new ATOM 0 HE2 LYS A 689 34.878 -2.243 -24.943 1.00 1.00 H new ATOM 0 HE3 LYS A 689 35.891 -1.716 -23.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 34.417 0.061 -24.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 36.034 0.493 -24.635 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 35.052 -0.018 -25.922 1.00 1.00 H new ATOM 79 N GLY A 690 37.187 -6.512 -25.425 1.00 1.00 N ATOM 80 CA GLY A 690 36.134 -7.438 -25.818 1.00 1.00 C ATOM 81 C GLY A 690 35.628 -8.253 -24.630 1.00 1.00 C ATOM 82 O GLY A 690 34.423 -8.448 -24.474 1.00 1.00 O ATOM 0 H GLY A 690 37.223 -6.300 -24.428 1.00 1.00 H new ATOM 0 HA2 GLY A 690 35.306 -6.882 -26.258 1.00 1.00 H new ATOM 0 HA3 GLY A 690 36.510 -8.112 -26.588 1.00 1.00 H new ATOM 86 N PRO A 691 36.518 -8.736 -23.802 1.00 1.00 N ATOM 87 CA PRO A 691 36.146 -9.557 -22.611 1.00 1.00 C ATOM 88 C PRO A 691 35.233 -8.807 -21.641 1.00 1.00 C ATOM 89 O PRO A 691 35.415 -7.615 -21.391 1.00 1.00 O ATOM 90 CB PRO A 691 37.487 -9.877 -21.940 1.00 1.00 C ATOM 91 CG PRO A 691 38.533 -9.628 -22.976 1.00 1.00 C ATOM 92 CD PRO A 691 37.973 -8.561 -23.911 1.00 1.00 C ATOM 0 HA PRO A 691 35.584 -10.444 -22.904 1.00 1.00 H new ATOM 0 HB2 PRO A 691 37.646 -9.247 -21.065 1.00 1.00 H new ATOM 0 HB3 PRO A 691 37.515 -10.911 -21.597 1.00 1.00 H new ATOM 0 HG2 PRO A 691 39.462 -9.291 -22.516 1.00 1.00 H new ATOM 0 HG3 PRO A 691 38.762 -10.542 -23.524 1.00 1.00 H new ATOM 0 HD2 PRO A 691 38.280 -7.560 -23.607 1.00 1.00 H new ATOM 0 HD3 PRO A 691 38.319 -8.704 -24.935 1.00 1.00 H new ATOM 100 N ASP A 692 34.260 -9.530 -21.090 1.00 1.00 N ATOM 101 CA ASP A 692 33.322 -8.953 -20.133 1.00 1.00 C ATOM 102 C ASP A 692 33.411 -9.690 -18.800 1.00 1.00 C ATOM 103 O ASP A 692 32.664 -9.404 -17.868 1.00 1.00 O ATOM 104 CB ASP A 692 31.894 -9.049 -20.679 1.00 1.00 C ATOM 105 CG ASP A 692 31.699 -8.052 -21.817 1.00 1.00 C ATOM 106 OD1 ASP A 692 32.525 -7.166 -21.952 1.00 1.00 O ATOM 107 OD2 ASP A 692 30.724 -8.192 -22.538 1.00 1.00 O ATOM 0 H ASP A 692 34.102 -10.517 -21.291 1.00 1.00 H new ATOM 0 HA ASP A 692 33.579 -7.905 -19.979 1.00 1.00 H new ATOM 0 HB2 ASP A 692 31.700 -10.061 -21.035 1.00 1.00 H new ATOM 0 HB3 ASP A 692 31.178 -8.848 -19.882 1.00 1.00 H new ATOM 112 N ILE A 693 34.348 -10.621 -18.702 1.00 1.00 N ATOM 113 CA ILE A 693 34.539 -11.338 -17.452 1.00 1.00 C ATOM 114 C ILE A 693 35.193 -10.395 -16.442 1.00 1.00 C ATOM 115 O ILE A 693 34.845 -10.389 -15.261 1.00 1.00 O ATOM 116 CB ILE A 693 35.419 -12.571 -17.665 1.00 1.00 C ATOM 117 CG1 ILE A 693 35.397 -13.429 -16.396 1.00 1.00 C ATOM 118 CG2 ILE A 693 36.856 -12.139 -17.963 1.00 1.00 C ATOM 119 CD1 ILE A 693 36.100 -14.760 -16.661 1.00 1.00 C ATOM 0 H ILE A 693 34.977 -10.894 -19.458 1.00 1.00 H new ATOM 0 HA ILE A 693 33.573 -11.675 -17.077 1.00 1.00 H new ATOM 0 HB ILE A 693 35.038 -13.147 -18.508 1.00 1.00 H new ATOM 0 HG12 ILE A 693 35.892 -12.902 -15.580 1.00 1.00 H new ATOM 0 HG13 ILE A 693 34.368 -13.606 -16.083 1.00 1.00 H new ATOM 0 HG21 ILE A 693 37.477 -13.022 -18.114 1.00 1.00 H new ATOM 0 HG22 ILE A 693 36.872 -11.526 -18.864 1.00 1.00 H new ATOM 0 HG23 ILE A 693 37.244 -11.561 -17.124 1.00 1.00 H new ATOM 0 HD11 ILE A 693 36.082 -15.367 -15.756 1.00 1.00 H new ATOM 0 HD12 ILE A 693 35.586 -15.289 -17.463 1.00 1.00 H new ATOM 0 HD13 ILE A 693 37.134 -14.574 -16.953 1.00 1.00 H new ATOM 131 N LEU A 694 36.172 -9.627 -16.921 1.00 1.00 N ATOM 132 CA LEU A 694 36.921 -8.700 -16.071 1.00 1.00 C ATOM 133 C LEU A 694 36.057 -7.572 -15.493 1.00 1.00 C ATOM 134 O LEU A 694 36.191 -7.231 -14.322 1.00 1.00 O ATOM 135 CB LEU A 694 38.071 -8.084 -16.873 1.00 1.00 C ATOM 136 CG LEU A 694 39.126 -9.152 -17.191 1.00 1.00 C ATOM 137 CD1 LEU A 694 40.172 -8.565 -18.137 1.00 1.00 C ATOM 138 CD2 LEU A 694 39.828 -9.616 -15.910 1.00 1.00 C ATOM 0 H LEU A 694 36.466 -9.629 -17.898 1.00 1.00 H new ATOM 0 HA LEU A 694 37.296 -9.283 -15.230 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.689 -7.653 -17.798 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.525 -7.271 -16.306 1.00 1.00 H new ATOM 0 HG LEU A 694 38.628 -10.003 -17.655 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.923 -9.322 -18.364 1.00 1.00 H new ATOM 0 HD12 LEU A 694 39.689 -8.244 -19.060 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.652 -7.709 -17.663 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.572 -10.373 -16.157 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.319 -8.766 -15.436 1.00 1.00 H new ATOM 0 HD23 LEU A 694 39.093 -10.039 -15.225 1.00 1.00 H new ATOM 150 N VAL A 695 35.198 -6.972 -16.309 1.00 1.00 N ATOM 151 CA VAL A 695 34.376 -5.864 -15.812 1.00 1.00 C ATOM 152 C VAL A 695 33.444 -6.324 -14.693 1.00 1.00 C ATOM 153 O VAL A 695 33.261 -5.616 -13.704 1.00 1.00 O ATOM 154 CB VAL A 695 33.560 -5.226 -16.941 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.603 -6.250 -17.531 1.00 1.00 C ATOM 156 CG2 VAL A 695 32.754 -4.055 -16.381 1.00 1.00 C ATOM 0 H VAL A 695 35.051 -7.220 -17.287 1.00 1.00 H new ATOM 0 HA VAL A 695 35.058 -5.114 -15.410 1.00 1.00 H new ATOM 0 HB VAL A 695 34.238 -4.875 -17.718 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.026 -5.789 -18.333 1.00 1.00 H new ATOM 0 HG12 VAL A 695 33.170 -7.091 -17.929 1.00 1.00 H new ATOM 0 HG13 VAL A 695 31.925 -6.605 -16.754 1.00 1.00 H new ATOM 0 HG21 VAL A 695 32.172 -3.598 -17.181 1.00 1.00 H new ATOM 0 HG22 VAL A 695 32.081 -4.416 -15.603 1.00 1.00 H new ATOM 0 HG23 VAL A 695 33.433 -3.315 -15.959 1.00 1.00 H new ATOM 166 N VAL A 696 32.857 -7.508 -14.851 1.00 1.00 N ATOM 167 CA VAL A 696 31.940 -8.041 -13.842 1.00 1.00 C ATOM 168 C VAL A 696 32.665 -8.395 -12.542 1.00 1.00 C ATOM 169 O VAL A 696 32.182 -8.068 -11.456 1.00 1.00 O ATOM 170 CB VAL A 696 31.234 -9.283 -14.393 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.380 -9.916 -13.291 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.341 -8.878 -15.570 1.00 1.00 C ATOM 0 H VAL A 696 32.997 -8.113 -15.660 1.00 1.00 H new ATOM 0 HA VAL A 696 31.209 -7.265 -13.614 1.00 1.00 H new ATOM 0 HB VAL A 696 31.976 -10.006 -14.733 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.877 -10.800 -13.683 1.00 1.00 H new ATOM 0 HG12 VAL A 696 31.018 -10.202 -12.455 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.636 -9.197 -12.949 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.837 -9.760 -15.965 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.598 -8.156 -15.231 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.952 -8.429 -16.353 1.00 1.00 H new ATOM 182 N LEU A 697 33.819 -9.054 -12.642 1.00 1.00 N ATOM 183 CA LEU A 697 34.566 -9.420 -11.441 1.00 1.00 C ATOM 184 C LEU A 697 34.995 -8.166 -10.676 1.00 1.00 C ATOM 185 O LEU A 697 34.838 -8.091 -9.459 1.00 1.00 O ATOM 186 CB LEU A 697 35.801 -10.240 -11.839 1.00 1.00 C ATOM 187 CG LEU A 697 36.583 -10.680 -10.595 1.00 1.00 C ATOM 188 CD1 LEU A 697 35.700 -11.567 -9.714 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.819 -11.469 -11.032 1.00 1.00 C ATOM 0 H LEU A 697 34.249 -9.340 -13.522 1.00 1.00 H new ATOM 0 HA LEU A 697 33.926 -10.018 -10.792 1.00 1.00 H new ATOM 0 HB2 LEU A 697 35.494 -11.116 -12.410 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.444 -9.646 -12.488 1.00 1.00 H new ATOM 0 HG LEU A 697 36.887 -9.800 -10.028 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.260 -11.877 -8.832 1.00 1.00 H new ATOM 0 HD12 LEU A 697 34.817 -11.008 -9.405 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.393 -12.449 -10.277 1.00 1.00 H new ATOM 0 HD21 LEU A 697 38.379 -11.785 -10.152 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.509 -12.347 -11.599 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.451 -10.838 -11.657 1.00 1.00 H new ATOM 201 N LEU A 698 35.532 -7.182 -11.392 1.00 1.00 N ATOM 202 CA LEU A 698 35.971 -5.940 -10.761 1.00 1.00 C ATOM 203 C LEU A 698 34.790 -5.174 -10.167 1.00 1.00 C ATOM 204 O LEU A 698 34.885 -4.636 -9.064 1.00 1.00 O ATOM 205 CB LEU A 698 36.705 -5.061 -11.778 1.00 1.00 C ATOM 206 CG LEU A 698 38.212 -5.377 -11.769 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.460 -6.862 -12.051 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.912 -4.541 -12.846 1.00 1.00 C ATOM 0 H LEU A 698 35.673 -7.219 -12.402 1.00 1.00 H new ATOM 0 HA LEU A 698 36.652 -6.198 -9.950 1.00 1.00 H new ATOM 0 HB2 LEU A 698 36.297 -5.229 -12.775 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.546 -4.009 -11.541 1.00 1.00 H new ATOM 0 HG LEU A 698 38.610 -5.135 -10.783 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.532 -7.061 -12.039 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.971 -7.464 -11.285 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.054 -7.119 -13.029 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.979 -4.763 -12.842 1.00 1.00 H new ATOM 0 HD22 LEU A 698 38.495 -4.784 -13.823 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.761 -3.481 -12.640 1.00 1.00 H new ATOM 220 N SER A 699 33.683 -5.116 -10.903 1.00 1.00 N ATOM 221 CA SER A 699 32.511 -4.396 -10.414 1.00 1.00 C ATOM 222 C SER A 699 32.039 -4.984 -9.088 1.00 1.00 C ATOM 223 O SER A 699 31.755 -4.253 -8.139 1.00 1.00 O ATOM 224 CB SER A 699 31.379 -4.483 -11.438 1.00 1.00 C ATOM 225 OG SER A 699 31.772 -3.817 -12.630 1.00 1.00 O ATOM 0 H SER A 699 33.573 -5.549 -11.820 1.00 1.00 H new ATOM 0 HA SER A 699 32.787 -3.352 -10.263 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.145 -5.526 -11.651 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.473 -4.029 -11.036 1.00 1.00 H new ATOM 0 HG SER A 699 32.423 -4.368 -13.113 1.00 1.00 H new ATOM 231 N VAL A 700 31.965 -6.310 -9.025 1.00 1.00 N ATOM 232 CA VAL A 700 31.535 -6.985 -7.804 1.00 1.00 C ATOM 233 C VAL A 700 32.522 -6.704 -6.677 1.00 1.00 C ATOM 234 O VAL A 700 32.125 -6.409 -5.552 1.00 1.00 O ATOM 235 CB VAL A 700 31.446 -8.493 -8.039 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.180 -9.198 -6.706 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.308 -8.792 -9.019 1.00 1.00 C ATOM 0 H VAL A 700 32.195 -6.935 -9.798 1.00 1.00 H new ATOM 0 HA VAL A 700 30.551 -6.607 -7.525 1.00 1.00 H new ATOM 0 HB VAL A 700 32.385 -8.855 -8.459 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.116 -10.274 -6.870 1.00 1.00 H new ATOM 0 HG12 VAL A 700 31.994 -8.984 -6.013 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.241 -8.838 -6.285 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.245 -9.867 -9.186 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.366 -8.434 -8.603 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.502 -8.288 -9.966 1.00 1.00 H new ATOM 247 N MET A 701 33.807 -6.811 -6.989 1.00 1.00 N ATOM 248 CA MET A 701 34.846 -6.580 -5.992 1.00 1.00 C ATOM 249 C MET A 701 34.768 -5.155 -5.458 1.00 1.00 C ATOM 250 O MET A 701 34.968 -4.916 -4.267 1.00 1.00 O ATOM 251 CB MET A 701 36.223 -6.809 -6.618 1.00 1.00 C ATOM 252 CG MET A 701 36.475 -8.309 -6.787 1.00 1.00 C ATOM 253 SD MET A 701 38.045 -8.558 -7.653 1.00 1.00 S ATOM 254 CE MET A 701 39.134 -7.902 -6.362 1.00 1.00 C ATOM 0 H MET A 701 34.154 -7.054 -7.917 1.00 1.00 H new ATOM 0 HA MET A 701 34.694 -7.277 -5.167 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.280 -6.311 -7.586 1.00 1.00 H new ATOM 0 HB3 MET A 701 36.996 -6.370 -5.988 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.503 -8.797 -5.813 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.660 -8.765 -7.349 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.127 -8.340 -6.466 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.204 -6.819 -6.461 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.728 -8.152 -5.382 1.00 1.00 H new ATOM 264 N GLY A 702 34.467 -4.212 -6.342 1.00 1.00 N ATOM 265 CA GLY A 702 34.360 -2.821 -5.926 1.00 1.00 C ATOM 266 C GLY A 702 33.243 -2.655 -4.898 1.00 1.00 C ATOM 267 O GLY A 702 33.405 -1.959 -3.899 1.00 1.00 O ATOM 0 H GLY A 702 34.296 -4.380 -7.333 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.307 -2.489 -5.500 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.162 -2.190 -6.793 1.00 1.00 H new ATOM 271 N ALA A 703 32.106 -3.293 -5.163 1.00 1.00 N ATOM 272 CA ALA A 703 30.955 -3.203 -4.270 1.00 1.00 C ATOM 273 C ALA A 703 31.314 -3.647 -2.854 1.00 1.00 C ATOM 274 O ALA A 703 30.964 -2.982 -1.878 1.00 1.00 O ATOM 275 CB ALA A 703 29.819 -4.076 -4.806 1.00 1.00 C ATOM 0 H ALA A 703 31.957 -3.876 -5.986 1.00 1.00 H new ATOM 0 HA ALA A 703 30.638 -2.161 -4.231 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.961 -4.007 -4.138 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.533 -3.732 -5.800 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.152 -5.112 -4.863 1.00 1.00 H new ATOM 281 N ILE A 704 32.024 -4.765 -2.752 1.00 1.00 N ATOM 282 CA ILE A 704 32.430 -5.279 -1.447 1.00 1.00 C ATOM 283 C ILE A 704 33.357 -4.295 -0.741 1.00 1.00 C ATOM 284 O ILE A 704 33.208 -4.032 0.452 1.00 1.00 O ATOM 285 CB ILE A 704 33.153 -6.616 -1.632 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.248 -7.600 -2.396 1.00 1.00 C ATOM 287 CG2 ILE A 704 33.551 -7.199 -0.273 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.944 -7.869 -1.628 1.00 1.00 C ATOM 0 H ILE A 704 32.328 -5.328 -3.546 1.00 1.00 H new ATOM 0 HA ILE A 704 31.539 -5.417 -0.834 1.00 1.00 H new ATOM 0 HB ILE A 704 34.060 -6.450 -2.213 1.00 1.00 H new ATOM 0 HG12 ILE A 704 32.016 -7.195 -3.381 1.00 1.00 H new ATOM 0 HG13 ILE A 704 32.779 -8.538 -2.555 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.064 -8.149 -0.421 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.215 -6.504 0.241 1.00 1.00 H new ATOM 0 HG23 ILE A 704 32.657 -7.359 0.330 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.326 -8.567 -2.193 1.00 1.00 H new ATOM 0 HD12 ILE A 704 31.178 -8.298 -0.653 1.00 1.00 H new ATOM 0 HD13 ILE A 704 30.402 -6.933 -1.492 1.00 1.00 H new ATOM 300 N LEU A 705 34.332 -3.782 -1.468 1.00 1.00 N ATOM 301 CA LEU A 705 35.295 -2.857 -0.887 1.00 1.00 C ATOM 302 C LEU A 705 34.638 -1.548 -0.437 1.00 1.00 C ATOM 303 O LEU A 705 34.978 -1.011 0.616 1.00 1.00 O ATOM 304 CB LEU A 705 36.403 -2.570 -1.905 1.00 1.00 C ATOM 305 CG LEU A 705 37.471 -1.651 -1.297 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.093 -2.317 -0.065 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.563 -1.400 -2.339 1.00 1.00 C ATOM 0 H LEU A 705 34.480 -3.987 -2.456 1.00 1.00 H new ATOM 0 HA LEU A 705 35.718 -3.326 0.001 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.861 -3.506 -2.226 1.00 1.00 H new ATOM 0 HB3 LEU A 705 35.976 -2.103 -2.793 1.00 1.00 H new ATOM 0 HG LEU A 705 37.012 -0.708 -1.001 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.850 -1.659 0.361 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.317 -2.506 0.677 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.555 -3.261 -0.356 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.327 -0.748 -1.916 1.00 1.00 H new ATOM 0 HD22 LEU A 705 39.016 -2.349 -2.628 1.00 1.00 H new ATOM 0 HD23 LEU A 705 38.126 -0.925 -3.217 1.00 1.00 H new ATOM 319 N LEU A 706 33.725 -1.021 -1.250 1.00 1.00 N ATOM 320 CA LEU A 706 33.061 0.245 -0.930 1.00 1.00 C ATOM 321 C LEU A 706 32.223 0.162 0.349 1.00 1.00 C ATOM 322 O LEU A 706 32.236 1.087 1.165 1.00 1.00 O ATOM 323 CB LEU A 706 32.149 0.653 -2.091 1.00 1.00 C ATOM 324 CG LEU A 706 32.993 1.064 -3.305 1.00 1.00 C ATOM 325 CD1 LEU A 706 32.083 1.206 -4.526 1.00 1.00 C ATOM 326 CD2 LEU A 706 33.697 2.403 -3.046 1.00 1.00 C ATOM 0 H LEU A 706 33.428 -1.445 -2.129 1.00 1.00 H new ATOM 0 HA LEU A 706 33.844 0.986 -0.770 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.494 -0.176 -2.358 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.508 1.481 -1.787 1.00 1.00 H new ATOM 0 HG LEU A 706 33.747 0.297 -3.482 1.00 1.00 H new ATOM 0 HD11 LEU A 706 32.678 1.498 -5.391 1.00 1.00 H new ATOM 0 HD12 LEU A 706 31.593 0.253 -4.727 1.00 1.00 H new ATOM 0 HD13 LEU A 706 31.328 1.968 -4.331 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.290 2.677 -3.918 1.00 1.00 H new ATOM 0 HD22 LEU A 706 32.952 3.175 -2.857 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.350 2.309 -2.178 1.00 1.00 H new ATOM 338 N ILE A 707 31.504 -0.941 0.532 1.00 1.00 N ATOM 339 CA ILE A 707 30.683 -1.102 1.730 1.00 1.00 C ATOM 340 C ILE A 707 31.559 -1.314 2.967 1.00 1.00 C ATOM 341 O ILE A 707 31.235 -0.836 4.055 1.00 1.00 O ATOM 342 CB ILE A 707 29.684 -2.261 1.562 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.805 -2.354 2.813 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.421 -3.584 1.353 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.653 -3.334 2.570 1.00 1.00 C ATOM 0 H ILE A 707 31.471 -1.725 -0.120 1.00 1.00 H new ATOM 0 HA ILE A 707 30.113 -0.184 1.872 1.00 1.00 H new ATOM 0 HB ILE A 707 29.065 -2.069 0.686 1.00 1.00 H new ATOM 0 HG12 ILE A 707 29.402 -2.684 3.663 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.410 -1.370 3.064 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.696 -4.390 1.237 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.038 -3.519 0.457 1.00 1.00 H new ATOM 0 HG23 ILE A 707 31.055 -3.788 2.216 1.00 1.00 H new ATOM 0 HD11 ILE A 707 27.032 -3.395 3.464 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.049 -2.985 1.732 1.00 1.00 H new ATOM 0 HD13 ILE A 707 28.057 -4.320 2.341 1.00 1.00 H new ATOM 357 N GLY A 708 32.665 -2.037 2.797 1.00 1.00 N ATOM 358 CA GLY A 708 33.559 -2.300 3.925 1.00 1.00 C ATOM 359 C GLY A 708 34.067 -1.001 4.546 1.00 1.00 C ATOM 360 O GLY A 708 34.072 -0.854 5.769 1.00 1.00 O ATOM 0 H GLY A 708 32.960 -2.444 1.909 1.00 1.00 H new ATOM 0 HA2 GLY A 708 33.033 -2.885 4.680 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.405 -2.900 3.589 1.00 1.00 H new ATOM 364 N LEU A 709 34.486 -0.052 3.713 1.00 1.00 N ATOM 365 CA LEU A 709 34.974 1.221 4.240 1.00 1.00 C ATOM 366 C LEU A 709 33.862 1.963 4.968 1.00 1.00 C ATOM 367 O LEU A 709 34.085 2.527 6.039 1.00 1.00 O ATOM 368 CB LEU A 709 35.533 2.099 3.118 1.00 1.00 C ATOM 369 CG LEU A 709 37.028 1.823 2.934 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.261 0.333 2.692 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.546 2.619 1.733 1.00 1.00 C ATOM 0 H LEU A 709 34.499 -0.134 2.696 1.00 1.00 H new ATOM 0 HA LEU A 709 35.776 1.003 4.946 1.00 1.00 H new ATOM 0 HB2 LEU A 709 35.000 1.899 2.188 1.00 1.00 H new ATOM 0 HB3 LEU A 709 35.375 3.151 3.355 1.00 1.00 H new ATOM 0 HG LEU A 709 37.560 2.125 3.836 1.00 1.00 H new ATOM 0 HD11 LEU A 709 38.327 0.148 2.562 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.895 -0.236 3.547 1.00 1.00 H new ATOM 0 HD13 LEU A 709 36.727 0.022 1.794 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.610 2.425 1.599 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.006 2.316 0.836 1.00 1.00 H new ATOM 0 HD23 LEU A 709 37.391 3.684 1.908 1.00 1.00 H new ATOM 383 N ALA A 710 32.664 1.970 4.388 1.00 1.00 N ATOM 384 CA ALA A 710 31.546 2.662 5.017 1.00 1.00 C ATOM 385 C ALA A 710 31.296 2.104 6.414 1.00 1.00 C ATOM 386 O ALA A 710 31.036 2.852 7.355 1.00 1.00 O ATOM 387 CB ALA A 710 30.288 2.494 4.167 1.00 1.00 C ATOM 0 H ALA A 710 32.446 1.514 3.502 1.00 1.00 H new ATOM 0 HA ALA A 710 31.792 3.721 5.097 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.456 3.013 4.642 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.460 2.914 3.176 1.00 1.00 H new ATOM 0 HB3 ALA A 710 30.050 1.434 4.075 1.00 1.00 H new ATOM 393 N ALA A 711 31.386 0.784 6.539 1.00 1.00 N ATOM 394 CA ALA A 711 31.171 0.146 7.835 1.00 1.00 C ATOM 395 C ALA A 711 32.229 0.609 8.830 1.00 1.00 C ATOM 396 O ALA A 711 31.933 0.837 10.003 1.00 1.00 O ATOM 397 CB ALA A 711 31.236 -1.376 7.691 1.00 1.00 C ATOM 0 H ALA A 711 31.602 0.144 5.775 1.00 1.00 H new ATOM 0 HA ALA A 711 30.185 0.430 8.202 1.00 1.00 H new ATOM 0 HB1 ALA A 711 31.074 -1.841 8.664 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.464 -1.709 6.997 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.216 -1.664 7.310 1.00 1.00 H new ATOM 403 N LEU A 712 33.464 0.736 8.356 1.00 1.00 N ATOM 404 CA LEU A 712 34.568 1.160 9.214 1.00 1.00 C ATOM 405 C LEU A 712 34.346 2.568 9.760 1.00 1.00 C ATOM 406 O LEU A 712 34.579 2.824 10.941 1.00 1.00 O ATOM 407 CB LEU A 712 35.881 1.126 8.417 1.00 1.00 C ATOM 408 CG LEU A 712 37.056 1.599 9.285 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.171 0.720 10.533 1.00 1.00 C ATOM 410 CD2 LEU A 712 38.347 1.500 8.472 1.00 1.00 C ATOM 0 H LEU A 712 33.726 0.553 7.387 1.00 1.00 H new ATOM 0 HA LEU A 712 34.620 0.472 10.058 1.00 1.00 H new ATOM 0 HB2 LEU A 712 36.070 0.113 8.061 1.00 1.00 H new ATOM 0 HB3 LEU A 712 35.794 1.762 7.536 1.00 1.00 H new ATOM 0 HG LEU A 712 36.888 2.631 9.592 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.007 1.062 11.143 1.00 1.00 H new ATOM 0 HD12 LEU A 712 36.249 0.786 11.111 1.00 1.00 H new ATOM 0 HD13 LEU A 712 37.339 -0.315 10.235 1.00 1.00 H new ATOM 0 HD21 LEU A 712 39.187 1.834 9.081 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.508 0.465 8.169 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.268 2.130 7.586 1.00 1.00 H new ATOM 422 N LEU A 713 33.897 3.479 8.904 1.00 1.00 N ATOM 423 CA LEU A 713 33.653 4.856 9.323 1.00 1.00 C ATOM 424 C LEU A 713 32.493 4.929 10.310 1.00 1.00 C ATOM 425 O LEU A 713 32.544 5.660 11.293 1.00 1.00 O ATOM 426 CB LEU A 713 33.339 5.714 8.098 1.00 1.00 C ATOM 427 CG LEU A 713 34.595 5.835 7.225 1.00 1.00 C ATOM 428 CD1 LEU A 713 34.223 6.463 5.885 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.650 6.711 7.915 1.00 1.00 C ATOM 0 H LEU A 713 33.695 3.292 7.922 1.00 1.00 H new ATOM 0 HA LEU A 713 34.549 5.230 9.818 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.527 5.267 7.525 1.00 1.00 H new ATOM 0 HB3 LEU A 713 33.003 6.703 8.409 1.00 1.00 H new ATOM 0 HG LEU A 713 35.009 4.839 7.070 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.114 6.550 5.264 1.00 1.00 H new ATOM 0 HD12 LEU A 713 33.489 5.835 5.380 1.00 1.00 H new ATOM 0 HD13 LEU A 713 33.800 7.453 6.052 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.533 6.785 7.280 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.241 7.707 8.085 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.926 6.264 8.870 1.00 1.00 H new ATOM 441 N ILE A 714 31.460 4.147 10.037 1.00 1.00 N ATOM 442 CA ILE A 714 30.294 4.118 10.913 1.00 1.00 C ATOM 443 C ILE A 714 30.711 3.645 12.303 1.00 1.00 C ATOM 444 O ILE A 714 30.279 4.203 13.314 1.00 1.00 O ATOM 445 CB ILE A 714 29.226 3.189 10.331 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.651 3.819 9.059 1.00 1.00 C ATOM 447 CG2 ILE A 714 28.104 2.989 11.351 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.856 2.771 8.276 1.00 1.00 C ATOM 0 H ILE A 714 31.402 3.530 9.227 1.00 1.00 H new ATOM 0 HA ILE A 714 29.875 5.121 10.991 1.00 1.00 H new ATOM 0 HB ILE A 714 29.673 2.223 10.095 1.00 1.00 H new ATOM 0 HG12 ILE A 714 28.007 4.659 9.317 1.00 1.00 H new ATOM 0 HG13 ILE A 714 29.457 4.214 8.441 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.346 2.327 10.933 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.512 2.545 12.259 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.653 3.952 11.589 1.00 1.00 H new ATOM 0 HD11 ILE A 714 27.449 3.224 7.372 1.00 1.00 H new ATOM 0 HD12 ILE A 714 28.513 1.945 8.004 1.00 1.00 H new ATOM 0 HD13 ILE A 714 27.040 2.397 8.894 1.00 1.00 H new ATOM 460 N TRP A 715 31.558 2.622 12.345 1.00 1.00 N ATOM 461 CA TRP A 715 32.028 2.096 13.623 1.00 1.00 C ATOM 462 C TRP A 715 32.685 3.217 14.431 1.00 1.00 C ATOM 463 O TRP A 715 32.424 3.371 15.623 1.00 1.00 O ATOM 464 CB TRP A 715 33.043 0.971 13.376 1.00 1.00 C ATOM 465 CG TRP A 715 33.439 0.282 14.657 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.849 0.426 15.877 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.528 -0.668 14.851 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.500 -0.389 16.786 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.542 -1.079 16.204 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.495 -1.213 13.985 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.480 -1.996 16.682 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.442 -2.133 14.462 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.433 -2.525 15.808 1.00 1.00 C ATOM 0 H TRP A 715 31.929 2.146 11.523 1.00 1.00 H new ATOM 0 HA TRP A 715 31.181 1.699 14.183 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.616 0.241 12.688 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.931 1.382 12.895 1.00 1.00 H new ATOM 0 HD1 TRP A 715 32.011 1.070 16.098 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.240 -0.470 17.769 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.508 -0.921 12.945 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.469 -2.294 17.720 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 37.181 -2.541 13.789 1.00 1.00 H new ATOM 0 HH2 TRP A 715 37.162 -3.235 16.169 1.00 1.00 H new ATOM 484 N LYS A 716 33.555 3.988 13.777 1.00 1.00 N ATOM 485 CA LYS A 716 34.266 5.080 14.448 1.00 1.00 C ATOM 486 C LYS A 716 33.287 6.102 15.031 1.00 1.00 C ATOM 487 O LYS A 716 33.463 6.549 16.165 1.00 1.00 O ATOM 488 CB LYS A 716 35.203 5.778 13.436 1.00 1.00 C ATOM 489 CG LYS A 716 36.046 6.928 14.055 1.00 1.00 C ATOM 490 CD LYS A 716 37.309 6.463 14.835 1.00 1.00 C ATOM 491 CE LYS A 716 36.994 5.772 16.164 1.00 1.00 C ATOM 492 NZ LYS A 716 38.239 5.731 16.981 1.00 1.00 N ATOM 0 H LYS A 716 33.784 3.879 12.789 1.00 1.00 H new ATOM 0 HA LYS A 716 34.848 4.660 15.269 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.876 5.036 13.007 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.605 6.178 12.617 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.357 7.602 13.257 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.411 7.503 14.729 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.881 5.780 14.207 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.945 7.327 15.027 1.00 1.00 H new ATOM 0 HE2 LYS A 716 36.210 6.311 16.695 1.00 1.00 H new ATOM 0 HE3 LYS A 716 36.623 4.762 15.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 38.043 5.264 17.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.972 5.200 16.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 38.572 6.701 17.155 1.00 1.00 H new ATOM 506 N LEU A 717 32.271 6.483 14.266 1.00 1.00 N ATOM 507 CA LEU A 717 31.310 7.468 14.760 1.00 1.00 C ATOM 508 C LEU A 717 30.555 6.962 15.990 1.00 1.00 C ATOM 509 O LEU A 717 30.371 7.707 16.951 1.00 1.00 O ATOM 510 CB LEU A 717 30.306 7.838 13.662 1.00 1.00 C ATOM 511 CG LEU A 717 30.822 9.036 12.845 1.00 1.00 C ATOM 512 CD1 LEU A 717 30.780 10.313 13.693 1.00 1.00 C ATOM 513 CD2 LEU A 717 32.263 8.789 12.394 1.00 1.00 C ATOM 0 H LEU A 717 32.091 6.137 13.324 1.00 1.00 H new ATOM 0 HA LEU A 717 31.879 8.352 15.049 1.00 1.00 H new ATOM 0 HB2 LEU A 717 30.145 6.984 13.005 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.342 8.082 14.109 1.00 1.00 H new ATOM 0 HG LEU A 717 30.181 9.155 11.972 1.00 1.00 H new ATOM 0 HD11 LEU A 717 31.147 11.153 13.104 1.00 1.00 H new ATOM 0 HD12 LEU A 717 29.754 10.509 14.004 1.00 1.00 H new ATOM 0 HD13 LEU A 717 31.409 10.185 14.574 1.00 1.00 H new ATOM 0 HD21 LEU A 717 32.615 9.644 11.817 1.00 1.00 H new ATOM 0 HD22 LEU A 717 32.900 8.654 13.268 1.00 1.00 H new ATOM 0 HD23 LEU A 717 32.302 7.893 11.775 1.00 1.00 H new ATOM 525 N LEU A 718 30.123 5.706 15.974 1.00 1.00 N ATOM 526 CA LEU A 718 29.398 5.161 17.122 1.00 1.00 C ATOM 527 C LEU A 718 30.297 5.126 18.353 1.00 1.00 C ATOM 528 O LEU A 718 29.862 5.446 19.459 1.00 1.00 O ATOM 529 CB LEU A 718 28.901 3.743 16.824 1.00 1.00 C ATOM 530 CG LEU A 718 27.798 3.785 15.761 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.432 2.356 15.359 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.551 4.491 16.311 1.00 1.00 C ATOM 0 H LEU A 718 30.256 5.056 15.199 1.00 1.00 H new ATOM 0 HA LEU A 718 28.543 5.809 17.315 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.729 3.125 16.476 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.521 3.283 17.736 1.00 1.00 H new ATOM 0 HG LEU A 718 28.163 4.336 14.894 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.647 2.380 14.603 1.00 1.00 H new ATOM 0 HD12 LEU A 718 28.311 1.856 14.954 1.00 1.00 H new ATOM 0 HD13 LEU A 718 27.076 1.812 16.234 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.777 4.513 15.544 1.00 1.00 H new ATOM 0 HD22 LEU A 718 26.182 3.951 17.183 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.807 5.511 16.597 1.00 1.00 H new ATOM 544 N ILE A 719 31.548 4.730 18.157 1.00 1.00 N ATOM 545 CA ILE A 719 32.493 4.648 19.268 1.00 1.00 C ATOM 546 C ILE A 719 32.726 6.018 19.904 1.00 1.00 C ATOM 547 O ILE A 719 32.782 6.147 21.127 1.00 1.00 O ATOM 548 CB ILE A 719 33.831 4.085 18.784 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.657 2.616 18.388 1.00 1.00 C ATOM 550 CG2 ILE A 719 34.860 4.185 19.913 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.892 2.145 17.614 1.00 1.00 C ATOM 0 H ILE A 719 31.931 4.463 17.250 1.00 1.00 H new ATOM 0 HA ILE A 719 32.062 3.985 20.018 1.00 1.00 H new ATOM 0 HB ILE A 719 34.174 4.656 17.921 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.517 2.003 19.278 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.764 2.497 17.775 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.815 3.785 19.572 1.00 1.00 H new ATOM 0 HG22 ILE A 719 34.986 5.229 20.199 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.513 3.612 20.773 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.768 1.099 17.332 1.00 1.00 H new ATOM 0 HD12 ILE A 719 35.012 2.751 16.716 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.777 2.249 18.242 1.00 1.00 H new ATOM 563 N THR A 720 32.854 7.037 19.060 1.00 1.00 N ATOM 564 CA THR A 720 33.075 8.402 19.532 1.00 1.00 C ATOM 565 C THR A 720 31.902 8.885 20.385 1.00 1.00 C ATOM 566 O THR A 720 32.094 9.543 21.409 1.00 1.00 O ATOM 567 CB THR A 720 33.255 9.345 18.340 1.00 1.00 C ATOM 568 OG1 THR A 720 34.192 8.786 17.432 1.00 1.00 O ATOM 569 CG2 THR A 720 33.764 10.699 18.834 1.00 1.00 C ATOM 0 H THR A 720 32.809 6.945 18.045 1.00 1.00 H new ATOM 0 HA THR A 720 33.977 8.404 20.144 1.00 1.00 H new ATOM 0 HB THR A 720 32.299 9.481 17.835 1.00 1.00 H new ATOM 0 HG1 THR A 720 33.726 8.200 16.800 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.892 11.371 17.985 1.00 1.00 H new ATOM 0 HG22 THR A 720 33.043 11.127 19.530 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.721 10.566 19.339 1.00 1.00 H new ATOM 577 N ILE A 721 30.688 8.572 19.941 1.00 1.00 N ATOM 578 CA ILE A 721 29.467 8.983 20.632 1.00 1.00 C ATOM 579 C ILE A 721 29.339 8.367 22.024 1.00 1.00 C ATOM 580 O ILE A 721 28.920 9.046 22.961 1.00 1.00 O ATOM 581 CB ILE A 721 28.232 8.607 19.803 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.155 9.471 18.527 1.00 1.00 C ATOM 583 CG2 ILE A 721 26.965 8.789 20.644 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.969 10.965 18.854 1.00 1.00 C ATOM 0 H ILE A 721 30.522 8.028 19.094 1.00 1.00 H new ATOM 0 HA ILE A 721 29.529 10.065 20.750 1.00 1.00 H new ATOM 0 HB ILE A 721 28.314 7.561 19.506 1.00 1.00 H new ATOM 0 HG12 ILE A 721 29.066 9.338 17.943 1.00 1.00 H new ATOM 0 HG13 ILE A 721 27.326 9.129 17.907 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.092 8.520 20.049 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.017 8.147 21.523 1.00 1.00 H new ATOM 0 HG23 ILE A 721 26.883 9.829 20.959 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.920 11.537 17.927 1.00 1.00 H new ATOM 0 HD12 ILE A 721 27.044 11.102 19.415 1.00 1.00 H new ATOM 0 HD13 ILE A 721 28.811 11.314 19.452 1.00 1.00 H new ATOM 596 N HIS A 722 29.686 7.094 22.175 1.00 1.00 N ATOM 597 CA HIS A 722 29.574 6.463 23.484 1.00 1.00 C ATOM 598 C HIS A 722 30.315 7.293 24.531 1.00 1.00 C ATOM 599 O HIS A 722 29.801 7.500 25.630 1.00 1.00 O ATOM 600 CB HIS A 722 30.138 5.042 23.436 1.00 1.00 C ATOM 601 CG HIS A 722 29.168 4.150 22.709 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.028 4.175 21.330 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.270 3.214 23.159 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.078 3.280 21.001 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.582 2.667 22.079 1.00 1.00 N ATOM 0 H HIS A 722 30.038 6.493 21.430 1.00 1.00 H new ATOM 0 HA HIS A 722 28.521 6.410 23.760 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.104 5.038 22.930 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.306 4.670 24.447 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.550 4.765 20.682 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.120 2.943 24.194 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.756 3.082 19.989 1.00 1.00 H new ATOM 613 N ASP A 723 31.526 7.741 24.181 1.00 1.00 N ATOM 614 CA ASP A 723 32.372 8.540 25.084 1.00 1.00 C ATOM 615 C ASP A 723 31.573 9.211 26.204 1.00 1.00 C ATOM 616 O ASP A 723 30.495 9.757 25.967 1.00 1.00 O ATOM 617 CB ASP A 723 33.104 9.614 24.274 1.00 1.00 C ATOM 618 CG ASP A 723 34.091 10.367 25.162 1.00 1.00 C ATOM 619 OD1 ASP A 723 33.986 10.244 26.370 1.00 1.00 O ATOM 620 OD2 ASP A 723 34.939 11.054 24.618 1.00 1.00 O ATOM 0 H ASP A 723 31.948 7.563 23.270 1.00 1.00 H new ATOM 0 HA ASP A 723 33.080 7.857 25.553 1.00 1.00 H new ATOM 0 HB2 ASP A 723 33.633 9.153 23.440 1.00 1.00 H new ATOM 0 HB3 ASP A 723 32.383 10.311 23.847 1.00 1.00 H new ATOM 625 N ARG A 724 32.110 9.166 27.423 1.00 1.00 N ATOM 626 CA ARG A 724 31.439 9.772 28.571 1.00 1.00 C ATOM 627 C ARG A 724 31.644 11.285 28.577 1.00 1.00 C ATOM 628 O ARG A 724 32.734 11.773 28.276 1.00 1.00 O ATOM 629 CB ARG A 724 31.974 9.170 29.876 1.00 1.00 C ATOM 630 CG ARG A 724 31.548 7.701 29.974 1.00 1.00 C ATOM 631 CD ARG A 724 32.050 7.099 31.292 1.00 1.00 C ATOM 632 NE ARG A 724 31.581 5.722 31.434 1.00 1.00 N ATOM 633 CZ ARG A 724 31.950 4.964 32.466 1.00 1.00 C ATOM 634 NH1 ARG A 724 32.787 5.427 33.353 1.00 1.00 N ATOM 635 NH2 ARG A 724 31.482 3.752 32.587 1.00 1.00 N ATOM 0 H ARG A 724 33.001 8.720 27.640 1.00 1.00 H new ATOM 0 HA ARG A 724 30.372 9.564 28.493 1.00 1.00 H new ATOM 0 HB2 ARG A 724 33.061 9.247 29.906 1.00 1.00 H new ATOM 0 HB3 ARG A 724 31.591 9.728 30.730 1.00 1.00 H new ATOM 0 HG2 ARG A 724 30.462 7.624 29.919 1.00 1.00 H new ATOM 0 HG3 ARG A 724 31.951 7.139 29.131 1.00 1.00 H new ATOM 0 HD2 ARG A 724 33.139 7.124 31.319 1.00 1.00 H new ATOM 0 HD3 ARG A 724 31.697 7.699 32.131 1.00 1.00 H new ATOM 0 HE ARG A 724 30.957 5.332 30.727 1.00 1.00 H new ATOM 0 HH11 ARG A 724 33.161 6.371 33.258 1.00 1.00 H new ATOM 0 HH12 ARG A 724 33.068 4.845 34.142 1.00 1.00 H new ATOM 0 HH21 ARG A 724 30.833 3.384 31.891 1.00 1.00 H new ATOM 0 HH22 ARG A 724 31.765 3.173 33.377 1.00 1.00 H new ATOM 649 N LYS A 725 30.587 12.022 28.913 1.00 1.00 N ATOM 650 CA LYS A 725 30.665 13.481 28.941 1.00 1.00 C ATOM 651 C LYS A 725 30.922 13.992 30.353 1.00 1.00 C ATOM 652 O LYS A 725 30.516 13.373 31.336 1.00 1.00 O ATOM 653 CB LYS A 725 29.364 14.091 28.416 1.00 1.00 C ATOM 654 CG LYS A 725 29.190 13.731 26.940 1.00 1.00 C ATOM 655 CD LYS A 725 27.910 14.370 26.398 1.00 1.00 C ATOM 656 CE LYS A 725 27.767 14.026 24.915 1.00 1.00 C ATOM 657 NZ LYS A 725 27.545 12.558 24.767 1.00 1.00 N ATOM 0 H LYS A 725 29.677 11.639 29.167 1.00 1.00 H new ATOM 0 HA LYS A 725 31.496 13.780 28.303 1.00 1.00 H new ATOM 0 HB2 LYS A 725 28.517 13.720 28.994 1.00 1.00 H new ATOM 0 HB3 LYS A 725 29.383 15.174 28.537 1.00 1.00 H new ATOM 0 HG2 LYS A 725 30.051 14.077 26.368 1.00 1.00 H new ATOM 0 HG3 LYS A 725 29.144 12.648 26.823 1.00 1.00 H new ATOM 0 HD2 LYS A 725 27.045 14.007 26.953 1.00 1.00 H new ATOM 0 HD3 LYS A 725 27.944 15.451 26.531 1.00 1.00 H new ATOM 0 HE2 LYS A 725 26.932 14.577 24.481 1.00 1.00 H new ATOM 0 HE3 LYS A 725 28.663 14.326 24.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 27.135 12.361 23.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 28.453 12.059 24.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 26.893 12.229 25.507 1.00 1.00 H new ATOM 671 N GLU A 726 31.602 15.131 30.440 1.00 1.00 N ATOM 672 CA GLU A 726 31.913 15.727 31.731 1.00 1.00 C ATOM 673 C GLU A 726 32.580 14.699 32.635 1.00 1.00 C ATOM 674 O GLU A 726 31.925 14.065 33.463 1.00 1.00 O ATOM 675 CB GLU A 726 30.637 16.260 32.390 1.00 1.00 C ATOM 676 CG GLU A 726 30.109 17.451 31.587 1.00 1.00 C ATOM 677 CD GLU A 726 28.815 17.969 32.204 1.00 1.00 C ATOM 678 OE1 GLU A 726 28.478 17.526 33.290 1.00 1.00 O ATOM 679 OE2 GLU A 726 28.183 18.812 31.585 1.00 1.00 O ATOM 0 H GLU A 726 31.946 15.656 29.636 1.00 1.00 H new ATOM 0 HA GLU A 726 32.600 16.559 31.576 1.00 1.00 H new ATOM 0 HB2 GLU A 726 29.883 15.475 32.435 1.00 1.00 H new ATOM 0 HB3 GLU A 726 30.844 16.563 33.417 1.00 1.00 H new ATOM 0 HG2 GLU A 726 30.855 18.246 31.568 1.00 1.00 H new ATOM 0 HG3 GLU A 726 29.934 17.153 30.553 1.00 1.00 H new ATOM 686 N PHE A 727 33.887 14.535 32.462 1.00 1.00 N ATOM 687 CA PHE A 727 34.643 13.576 33.258 1.00 1.00 C ATOM 688 C PHE A 727 34.304 13.723 34.738 1.00 1.00 C ATOM 689 O PHE A 727 34.220 12.708 35.409 1.00 1.00 O ATOM 690 CB PHE A 727 36.146 13.796 33.056 1.00 1.00 C ATOM 691 CG PHE A 727 36.521 13.501 31.621 1.00 1.00 C ATOM 692 CD1 PHE A 727 36.860 12.198 31.232 1.00 1.00 C ATOM 693 CD2 PHE A 727 36.533 14.536 30.676 1.00 1.00 C ATOM 694 CE1 PHE A 727 37.212 11.933 29.902 1.00 1.00 C ATOM 695 CE2 PHE A 727 36.885 14.270 29.348 1.00 1.00 C ATOM 696 CZ PHE A 727 37.224 12.968 28.960 1.00 1.00 C ATOM 697 OXT PHE A 727 34.134 14.848 35.177 1.00 1.00 O ATOM 0 H PHE A 727 34.443 15.052 31.780 1.00 1.00 H new ATOM 0 HA PHE A 727 34.375 12.571 32.931 1.00 1.00 H new ATOM 0 HB2 PHE A 727 36.409 14.824 33.306 1.00 1.00 H new ATOM 0 HB3 PHE A 727 36.711 13.150 33.729 1.00 1.00 H new ATOM 0 HD1 PHE A 727 36.850 11.398 31.958 1.00 1.00 H new ATOM 0 HD2 PHE A 727 36.270 15.540 30.973 1.00 1.00 H new ATOM 0 HE1 PHE A 727 37.474 10.929 29.603 1.00 1.00 H new ATOM 0 HE2 PHE A 727 36.895 15.069 28.622 1.00 1.00 H new ATOM 0 HZ PHE A 727 37.494 12.763 27.935 1.00 1.00 H new TER 707 PHE A 727