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 111:sc= 0.477 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 73:sc= 1.01 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.196 (180deg=-1.21) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 722 HIS : no HE2:sc= 0.428 K(o=0.43,f=-8.1!) USER MOD Single : A 725 LYS NZ :NH3+ -163:sc= -0.0784 (180deg=-0.526) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 30.255 -13.470 -27.777 1.00 1.00 N ATOM 2 CA PRO A 685 29.368 -13.748 -28.937 1.00 1.00 C ATOM 3 C PRO A 685 28.705 -15.106 -28.757 1.00 1.00 C ATOM 4 O PRO A 685 27.511 -15.268 -29.008 1.00 1.00 O ATOM 5 CB PRO A 685 30.226 -13.753 -30.196 1.00 1.00 C ATOM 6 CG PRO A 685 31.511 -13.115 -29.778 1.00 1.00 C ATOM 7 CD PRO A 685 31.657 -13.354 -28.267 1.00 1.00 C ATOM 0 HA PRO A 685 28.591 -12.988 -29.015 1.00 1.00 H new ATOM 0 HB2 PRO A 685 30.387 -14.767 -30.562 1.00 1.00 H new ATOM 0 HB3 PRO A 685 29.750 -13.195 -31.002 1.00 1.00 H new ATOM 0 HG2 PRO A 685 32.351 -13.548 -30.320 1.00 1.00 H new ATOM 0 HG3 PRO A 685 31.503 -12.048 -30.001 1.00 1.00 H new ATOM 0 HD2 PRO A 685 32.227 -14.260 -28.061 1.00 1.00 H new ATOM 0 HD3 PRO A 685 32.181 -12.530 -27.783 1.00 1.00 H new ATOM 17 N GLU A 686 29.496 -16.083 -28.332 1.00 1.00 N ATOM 18 CA GLU A 686 28.991 -17.433 -28.127 1.00 1.00 C ATOM 19 C GLU A 686 28.020 -17.474 -26.958 1.00 1.00 C ATOM 20 O GLU A 686 27.045 -18.225 -26.974 1.00 1.00 O ATOM 21 CB GLU A 686 30.152 -18.383 -27.845 1.00 1.00 C ATOM 22 CG GLU A 686 31.034 -18.494 -29.088 1.00 1.00 C ATOM 23 CD GLU A 686 32.214 -19.420 -28.812 1.00 1.00 C ATOM 24 OE1 GLU A 686 32.283 -19.955 -27.718 1.00 1.00 O ATOM 25 OE2 GLU A 686 33.030 -19.584 -29.704 1.00 1.00 O ATOM 0 H GLU A 686 30.487 -15.966 -28.123 1.00 1.00 H new ATOM 0 HA GLU A 686 28.469 -17.743 -29.032 1.00 1.00 H new ATOM 0 HB2 GLU A 686 30.738 -18.018 -27.002 1.00 1.00 H new ATOM 0 HB3 GLU A 686 29.772 -19.366 -27.567 1.00 1.00 H new ATOM 0 HG2 GLU A 686 30.450 -18.876 -29.925 1.00 1.00 H new ATOM 0 HG3 GLU A 686 31.396 -17.507 -29.376 1.00 1.00 H new ATOM 32 N SER A 687 28.310 -16.682 -25.933 1.00 1.00 N ATOM 33 CA SER A 687 27.472 -16.655 -24.742 1.00 1.00 C ATOM 34 C SER A 687 26.542 -15.438 -24.741 1.00 1.00 C ATOM 35 O SER A 687 26.812 -14.439 -25.409 1.00 1.00 O ATOM 36 CB SER A 687 28.368 -16.634 -23.505 1.00 1.00 C ATOM 37 OG SER A 687 28.070 -15.486 -22.721 1.00 1.00 O ATOM 0 H SER A 687 29.113 -16.054 -25.902 1.00 1.00 H new ATOM 0 HA SER A 687 26.846 -17.547 -24.734 1.00 1.00 H new ATOM 0 HB2 SER A 687 28.214 -17.539 -22.917 1.00 1.00 H new ATOM 0 HB3 SER A 687 29.416 -16.622 -23.803 1.00 1.00 H new ATOM 0 HG SER A 687 27.639 -15.763 -21.886 1.00 1.00 H new ATOM 43 N PRO A 688 25.456 -15.504 -24.005 1.00 1.00 N ATOM 44 CA PRO A 688 24.467 -14.387 -23.919 1.00 1.00 C ATOM 45 C PRO A 688 25.084 -13.135 -23.308 1.00 1.00 C ATOM 46 O PRO A 688 24.608 -12.021 -23.532 1.00 1.00 O ATOM 47 CB PRO A 688 23.351 -14.933 -23.020 1.00 1.00 C ATOM 48 CG PRO A 688 23.953 -16.078 -22.278 1.00 1.00 C ATOM 49 CD PRO A 688 25.053 -16.648 -23.172 1.00 1.00 C ATOM 0 HA PRO A 688 24.108 -14.088 -24.904 1.00 1.00 H new ATOM 0 HB2 PRO A 688 22.992 -14.167 -22.333 1.00 1.00 H new ATOM 0 HB3 PRO A 688 22.495 -15.257 -23.612 1.00 1.00 H new ATOM 0 HG2 PRO A 688 24.362 -15.749 -21.323 1.00 1.00 H new ATOM 0 HG3 PRO A 688 23.201 -16.836 -22.058 1.00 1.00 H new ATOM 0 HD2 PRO A 688 25.888 -17.029 -22.585 1.00 1.00 H new ATOM 0 HD3 PRO A 688 24.686 -17.476 -23.779 1.00 1.00 H new ATOM 57 N LYS A 689 26.147 -13.327 -22.541 1.00 1.00 N ATOM 58 CA LYS A 689 26.829 -12.210 -21.911 1.00 1.00 C ATOM 59 C LYS A 689 27.678 -11.475 -22.937 1.00 1.00 C ATOM 60 O LYS A 689 28.304 -12.098 -23.796 1.00 1.00 O ATOM 61 CB LYS A 689 27.716 -12.714 -20.769 1.00 1.00 C ATOM 62 CG LYS A 689 26.842 -13.210 -19.615 1.00 1.00 C ATOM 63 CD LYS A 689 27.734 -13.772 -18.506 1.00 1.00 C ATOM 64 CE LYS A 689 26.864 -14.308 -17.368 1.00 1.00 C ATOM 65 NZ LYS A 689 27.737 -14.927 -16.329 1.00 1.00 N ATOM 0 H LYS A 689 26.553 -14.241 -22.341 1.00 1.00 H new ATOM 0 HA LYS A 689 26.084 -11.524 -21.507 1.00 1.00 H new ATOM 0 HB2 LYS A 689 28.358 -13.520 -21.124 1.00 1.00 H new ATOM 0 HB3 LYS A 689 28.370 -11.913 -20.424 1.00 1.00 H new ATOM 0 HG2 LYS A 689 26.233 -12.393 -19.228 1.00 1.00 H new ATOM 0 HG3 LYS A 689 26.155 -13.979 -19.969 1.00 1.00 H new ATOM 0 HD2 LYS A 689 28.364 -14.569 -18.901 1.00 1.00 H new ATOM 0 HD3 LYS A 689 28.400 -12.994 -18.132 1.00 1.00 H new ATOM 0 HE2 LYS A 689 26.277 -13.500 -16.932 1.00 1.00 H new ATOM 0 HE3 LYS A 689 26.157 -15.044 -17.751 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 27.148 -15.293 -15.554 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 28.278 -15.709 -16.751 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 28.394 -14.212 -15.957 1.00 1.00 H new ATOM 79 N GLY A 690 27.691 -10.152 -22.843 1.00 1.00 N ATOM 80 CA GLY A 690 28.461 -9.331 -23.772 1.00 1.00 C ATOM 81 C GLY A 690 29.684 -8.735 -23.084 1.00 1.00 C ATOM 82 O GLY A 690 30.805 -8.857 -23.576 1.00 1.00 O ATOM 0 H GLY A 690 27.179 -9.624 -22.136 1.00 1.00 H new ATOM 0 HA2 GLY A 690 28.776 -9.935 -24.623 1.00 1.00 H new ATOM 0 HA3 GLY A 690 27.833 -8.531 -24.164 1.00 1.00 H new ATOM 86 N PRO A 691 29.487 -8.105 -21.956 1.00 1.00 N ATOM 87 CA PRO A 691 30.596 -7.484 -21.177 1.00 1.00 C ATOM 88 C PRO A 691 31.616 -8.525 -20.729 1.00 1.00 C ATOM 89 O PRO A 691 31.269 -9.679 -20.478 1.00 1.00 O ATOM 90 CB PRO A 691 29.904 -6.846 -19.965 1.00 1.00 C ATOM 91 CG PRO A 691 28.451 -6.783 -20.310 1.00 1.00 C ATOM 92 CD PRO A 691 28.189 -7.915 -21.298 1.00 1.00 C ATOM 0 HA PRO A 691 31.153 -6.760 -21.771 1.00 1.00 H new ATOM 0 HB2 PRO A 691 30.067 -7.439 -19.065 1.00 1.00 H new ATOM 0 HB3 PRO A 691 30.302 -5.851 -19.767 1.00 1.00 H new ATOM 0 HG2 PRO A 691 27.835 -6.897 -19.418 1.00 1.00 H new ATOM 0 HG3 PRO A 691 28.199 -5.818 -20.750 1.00 1.00 H new ATOM 0 HD2 PRO A 691 27.860 -8.822 -20.791 1.00 1.00 H new ATOM 0 HD3 PRO A 691 27.411 -7.650 -22.014 1.00 1.00 H new ATOM 100 N ASP A 692 32.872 -8.115 -20.639 1.00 1.00 N ATOM 101 CA ASP A 692 33.932 -9.026 -20.226 1.00 1.00 C ATOM 102 C ASP A 692 33.733 -9.461 -18.779 1.00 1.00 C ATOM 103 O ASP A 692 33.329 -8.667 -17.930 1.00 1.00 O ATOM 104 CB ASP A 692 35.293 -8.345 -20.365 1.00 1.00 C ATOM 105 CG ASP A 692 35.699 -8.271 -21.834 1.00 1.00 C ATOM 106 OD1 ASP A 692 35.085 -8.953 -22.638 1.00 1.00 O ATOM 107 OD2 ASP A 692 36.619 -7.529 -22.133 1.00 1.00 O ATOM 0 H ASP A 692 33.182 -7.165 -20.844 1.00 1.00 H new ATOM 0 HA ASP A 692 33.895 -9.905 -20.870 1.00 1.00 H new ATOM 0 HB2 ASP A 692 35.250 -7.342 -19.941 1.00 1.00 H new ATOM 0 HB3 ASP A 692 36.044 -8.898 -19.800 1.00 1.00 H new ATOM 112 N ILE A 693 34.062 -10.715 -18.496 1.00 1.00 N ATOM 113 CA ILE A 693 33.951 -11.217 -17.131 1.00 1.00 C ATOM 114 C ILE A 693 34.820 -10.353 -16.215 1.00 1.00 C ATOM 115 O ILE A 693 34.508 -10.173 -15.039 1.00 1.00 O ATOM 116 CB ILE A 693 34.394 -12.680 -17.075 1.00 1.00 C ATOM 117 CG1 ILE A 693 35.826 -12.808 -17.612 1.00 1.00 C ATOM 118 CG2 ILE A 693 33.456 -13.531 -17.931 1.00 1.00 C ATOM 119 CD1 ILE A 693 36.297 -14.261 -17.490 1.00 1.00 C ATOM 0 H ILE A 693 34.402 -11.393 -19.178 1.00 1.00 H new ATOM 0 HA ILE A 693 32.915 -11.164 -16.797 1.00 1.00 H new ATOM 0 HB ILE A 693 34.361 -13.025 -16.042 1.00 1.00 H new ATOM 0 HG12 ILE A 693 35.863 -12.490 -18.654 1.00 1.00 H new ATOM 0 HG13 ILE A 693 36.494 -12.151 -17.054 1.00 1.00 H new ATOM 0 HG21 ILE A 693 33.772 -14.573 -17.891 1.00 1.00 H new ATOM 0 HG22 ILE A 693 32.438 -13.445 -17.550 1.00 1.00 H new ATOM 0 HG23 ILE A 693 33.488 -13.182 -18.963 1.00 1.00 H new ATOM 0 HD11 ILE A 693 37.314 -14.347 -17.872 1.00 1.00 H new ATOM 0 HD12 ILE A 693 36.276 -14.564 -16.443 1.00 1.00 H new ATOM 0 HD13 ILE A 693 35.636 -14.907 -18.068 1.00 1.00 H new ATOM 131 N LEU A 694 35.918 -9.834 -16.756 1.00 1.00 N ATOM 132 CA LEU A 694 36.831 -9.006 -15.970 1.00 1.00 C ATOM 133 C LEU A 694 36.115 -7.766 -15.447 1.00 1.00 C ATOM 134 O LEU A 694 36.304 -7.368 -14.298 1.00 1.00 O ATOM 135 CB LEU A 694 38.027 -8.592 -16.835 1.00 1.00 C ATOM 136 CG LEU A 694 38.994 -7.705 -16.035 1.00 1.00 C ATOM 137 CD1 LEU A 694 39.486 -8.451 -14.793 1.00 1.00 C ATOM 138 CD2 LEU A 694 40.191 -7.346 -16.918 1.00 1.00 C ATOM 0 H LEU A 694 36.197 -9.970 -17.728 1.00 1.00 H new ATOM 0 HA LEU A 694 37.184 -9.587 -15.118 1.00 1.00 H new ATOM 0 HB2 LEU A 694 38.550 -9.480 -17.191 1.00 1.00 H new ATOM 0 HB3 LEU A 694 37.676 -8.054 -17.716 1.00 1.00 H new ATOM 0 HG LEU A 694 38.476 -6.798 -15.723 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.171 -7.814 -14.233 1.00 1.00 H new ATOM 0 HD12 LEU A 694 38.635 -8.710 -14.163 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.004 -9.361 -15.096 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.881 -6.717 -16.357 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.701 -8.258 -17.228 1.00 1.00 H new ATOM 0 HD23 LEU A 694 39.844 -6.807 -17.800 1.00 1.00 H new ATOM 150 N VAL A 695 35.292 -7.166 -16.298 1.00 1.00 N ATOM 151 CA VAL A 695 34.543 -5.976 -15.913 1.00 1.00 C ATOM 152 C VAL A 695 33.611 -6.310 -14.758 1.00 1.00 C ATOM 153 O VAL A 695 33.479 -5.542 -13.804 1.00 1.00 O ATOM 154 CB VAL A 695 33.732 -5.463 -17.104 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.863 -4.284 -16.665 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.685 -5.006 -18.209 1.00 1.00 C ATOM 0 H VAL A 695 35.127 -7.481 -17.254 1.00 1.00 H new ATOM 0 HA VAL A 695 35.240 -5.200 -15.599 1.00 1.00 H new ATOM 0 HB VAL A 695 33.094 -6.264 -17.478 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.286 -3.921 -17.516 1.00 1.00 H new ATOM 0 HG12 VAL A 695 32.183 -4.607 -15.877 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.500 -3.483 -16.289 1.00 1.00 H new ATOM 0 HG21 VAL A 695 34.108 -4.640 -19.059 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.323 -4.206 -17.832 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.304 -5.845 -18.525 1.00 1.00 H new ATOM 166 N VAL A 696 32.967 -7.468 -14.858 1.00 1.00 N ATOM 167 CA VAL A 696 32.036 -7.925 -13.834 1.00 1.00 C ATOM 168 C VAL A 696 32.759 -8.261 -12.525 1.00 1.00 C ATOM 169 O VAL A 696 32.281 -7.914 -11.444 1.00 1.00 O ATOM 170 CB VAL A 696 31.282 -9.158 -14.340 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.429 -9.738 -13.212 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.374 -8.755 -15.507 1.00 1.00 C ATOM 0 H VAL A 696 33.074 -8.110 -15.643 1.00 1.00 H new ATOM 0 HA VAL A 696 31.333 -7.117 -13.631 1.00 1.00 H new ATOM 0 HB VAL A 696 31.999 -9.908 -14.674 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.894 -10.615 -13.575 1.00 1.00 H new ATOM 0 HG12 VAL A 696 31.072 -10.024 -12.380 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.712 -8.989 -12.876 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.836 -9.631 -15.869 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.659 -8.004 -15.170 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.980 -8.342 -16.314 1.00 1.00 H new ATOM 182 N LEU A 697 33.905 -8.931 -12.615 1.00 1.00 N ATOM 183 CA LEU A 697 34.647 -9.284 -11.405 1.00 1.00 C ATOM 184 C LEU A 697 35.026 -8.020 -10.638 1.00 1.00 C ATOM 185 O LEU A 697 34.893 -7.966 -9.416 1.00 1.00 O ATOM 186 CB LEU A 697 35.919 -10.059 -11.783 1.00 1.00 C ATOM 187 CG LEU A 697 36.704 -10.463 -10.526 1.00 1.00 C ATOM 188 CD1 LEU A 697 35.841 -11.350 -9.625 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.957 -11.243 -10.945 1.00 1.00 C ATOM 0 H LEU A 697 34.333 -9.235 -13.490 1.00 1.00 H new ATOM 0 HA LEU A 697 34.017 -9.910 -10.773 1.00 1.00 H new ATOM 0 HB2 LEU A 697 35.652 -10.949 -12.353 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.547 -9.444 -12.428 1.00 1.00 H new ATOM 0 HG LEU A 697 36.985 -9.564 -9.978 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.409 -11.629 -8.738 1.00 1.00 H new ATOM 0 HD12 LEU A 697 34.946 -10.804 -9.326 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.552 -12.249 -10.169 1.00 1.00 H new ATOM 0 HD21 LEU A 697 38.519 -11.533 -10.057 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.662 -12.136 -11.496 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.581 -10.615 -11.580 1.00 1.00 H new ATOM 201 N LEU A 698 35.498 -7.006 -11.354 1.00 1.00 N ATOM 202 CA LEU A 698 35.891 -5.757 -10.716 1.00 1.00 C ATOM 203 C LEU A 698 34.687 -5.095 -10.047 1.00 1.00 C ATOM 204 O LEU A 698 34.788 -4.575 -8.937 1.00 1.00 O ATOM 205 CB LEU A 698 36.474 -4.804 -11.760 1.00 1.00 C ATOM 206 CG LEU A 698 37.815 -5.341 -12.274 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.295 -4.460 -13.429 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.861 -5.328 -11.148 1.00 1.00 C ATOM 0 H LEU A 698 35.617 -7.024 -12.367 1.00 1.00 H new ATOM 0 HA LEU A 698 36.642 -5.978 -9.958 1.00 1.00 H new ATOM 0 HB2 LEU A 698 35.777 -4.691 -12.590 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.613 -3.815 -11.323 1.00 1.00 H new ATOM 0 HG LEU A 698 37.684 -6.367 -12.618 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.249 -4.835 -13.801 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.559 -4.481 -14.233 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.420 -3.436 -13.078 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.808 -5.712 -11.527 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.000 -4.307 -10.792 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.518 -5.956 -10.326 1.00 1.00 H new ATOM 220 N SER A 699 33.555 -5.104 -10.745 1.00 1.00 N ATOM 221 CA SER A 699 32.346 -4.479 -10.210 1.00 1.00 C ATOM 222 C SER A 699 31.948 -5.088 -8.865 1.00 1.00 C ATOM 223 O SER A 699 31.657 -4.364 -7.912 1.00 1.00 O ATOM 224 CB SER A 699 31.192 -4.653 -11.198 1.00 1.00 C ATOM 225 OG SER A 699 31.529 -4.031 -12.432 1.00 1.00 O ATOM 0 H SER A 699 33.448 -5.529 -11.666 1.00 1.00 H new ATOM 0 HA SER A 699 32.558 -3.420 -10.061 1.00 1.00 H new ATOM 0 HB2 SER A 699 30.990 -5.712 -11.355 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.282 -4.212 -10.792 1.00 1.00 H new ATOM 0 HG SER A 699 32.207 -4.567 -12.894 1.00 1.00 H new ATOM 231 N VAL A 700 31.943 -6.412 -8.784 1.00 1.00 N ATOM 232 CA VAL A 700 31.587 -7.085 -7.537 1.00 1.00 C ATOM 233 C VAL A 700 32.588 -6.727 -6.441 1.00 1.00 C ATOM 234 O VAL A 700 32.209 -6.415 -5.310 1.00 1.00 O ATOM 235 CB VAL A 700 31.578 -8.599 -7.752 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.382 -9.311 -6.412 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.436 -8.966 -8.703 1.00 1.00 C ATOM 0 H VAL A 700 32.178 -7.037 -9.555 1.00 1.00 H new ATOM 0 HA VAL A 700 30.594 -6.757 -7.230 1.00 1.00 H new ATOM 0 HB VAL A 700 32.529 -8.911 -8.185 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.376 -10.389 -6.570 1.00 1.00 H new ATOM 0 HG12 VAL A 700 32.197 -9.048 -5.737 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.433 -9.004 -5.972 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.425 -10.045 -8.860 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.486 -8.653 -8.269 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.582 -8.462 -9.658 1.00 1.00 H new ATOM 247 N MET A 701 33.868 -6.790 -6.783 1.00 1.00 N ATOM 248 CA MET A 701 34.927 -6.489 -5.826 1.00 1.00 C ATOM 249 C MET A 701 34.850 -5.043 -5.346 1.00 1.00 C ATOM 250 O MET A 701 35.060 -4.764 -4.165 1.00 1.00 O ATOM 251 CB MET A 701 36.290 -6.731 -6.476 1.00 1.00 C ATOM 252 CG MET A 701 36.564 -8.233 -6.557 1.00 1.00 C ATOM 253 SD MET A 701 38.149 -8.510 -7.389 1.00 1.00 S ATOM 254 CE MET A 701 39.217 -7.800 -6.109 1.00 1.00 C ATOM 0 H MET A 701 34.199 -7.046 -7.713 1.00 1.00 H new ATOM 0 HA MET A 701 34.798 -7.144 -4.965 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.310 -6.294 -7.474 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.072 -6.240 -5.897 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.585 -8.665 -5.556 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.762 -8.731 -7.102 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.207 -8.252 -6.170 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.299 -6.724 -6.260 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.788 -7.997 -5.127 1.00 1.00 H new ATOM 264 N GLY A 702 34.540 -4.126 -6.259 1.00 1.00 N ATOM 265 CA GLY A 702 34.433 -2.719 -5.889 1.00 1.00 C ATOM 266 C GLY A 702 33.332 -2.536 -4.850 1.00 1.00 C ATOM 267 O GLY A 702 33.494 -1.807 -3.871 1.00 1.00 O ATOM 0 H GLY A 702 34.361 -4.327 -7.243 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.384 -2.366 -5.490 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.215 -2.118 -6.772 1.00 1.00 H new ATOM 271 N ALA A 703 32.204 -3.198 -5.088 1.00 1.00 N ATOM 272 CA ALA A 703 31.062 -3.106 -4.185 1.00 1.00 C ATOM 273 C ALA A 703 31.445 -3.531 -2.769 1.00 1.00 C ATOM 274 O ALA A 703 31.029 -2.905 -1.794 1.00 1.00 O ATOM 275 CB ALA A 703 29.927 -3.995 -4.700 1.00 1.00 C ATOM 0 H ALA A 703 32.056 -3.802 -5.896 1.00 1.00 H new ATOM 0 HA ALA A 703 30.733 -2.067 -4.153 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.075 -3.925 -4.024 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.629 -3.665 -5.695 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.268 -5.029 -4.748 1.00 1.00 H new ATOM 281 N ILE A 704 32.235 -4.600 -2.663 1.00 1.00 N ATOM 282 CA ILE A 704 32.652 -5.088 -1.347 1.00 1.00 C ATOM 283 C ILE A 704 33.524 -4.055 -0.635 1.00 1.00 C ATOM 284 O ILE A 704 33.366 -3.814 0.562 1.00 1.00 O ATOM 285 CB ILE A 704 33.445 -6.392 -1.493 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.523 -7.520 -2.002 1.00 1.00 C ATOM 287 CG2 ILE A 704 34.066 -6.783 -0.146 1.00 1.00 C ATOM 288 CD1 ILE A 704 31.376 -7.797 -1.017 1.00 1.00 C ATOM 0 H ILE A 704 32.593 -5.135 -3.454 1.00 1.00 H new ATOM 0 HA ILE A 704 31.753 -5.266 -0.756 1.00 1.00 H new ATOM 0 HB ILE A 704 34.245 -6.240 -2.218 1.00 1.00 H new ATOM 0 HG12 ILE A 704 32.112 -7.245 -2.973 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.106 -8.429 -2.149 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.627 -7.710 -0.260 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.737 -5.992 0.189 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.276 -6.925 0.591 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.747 -8.597 -1.407 1.00 1.00 H new ATOM 0 HD12 ILE A 704 31.788 -8.097 -0.054 1.00 1.00 H new ATOM 0 HD13 ILE A 704 30.779 -6.894 -0.891 1.00 1.00 H new ATOM 300 N LEU A 705 34.465 -3.472 -1.364 1.00 1.00 N ATOM 301 CA LEU A 705 35.371 -2.495 -0.775 1.00 1.00 C ATOM 302 C LEU A 705 34.638 -1.230 -0.325 1.00 1.00 C ATOM 303 O LEU A 705 34.929 -0.691 0.743 1.00 1.00 O ATOM 304 CB LEU A 705 36.461 -2.127 -1.781 1.00 1.00 C ATOM 305 CG LEU A 705 37.381 -3.334 -2.011 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.329 -3.026 -3.167 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.206 -3.637 -0.748 1.00 1.00 C ATOM 0 H LEU A 705 34.621 -3.656 -2.355 1.00 1.00 H new ATOM 0 HA LEU A 705 35.817 -2.952 0.109 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.010 -1.817 -2.723 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.040 -1.281 -1.411 1.00 1.00 H new ATOM 0 HG LEU A 705 36.768 -4.204 -2.246 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.986 -3.879 -3.336 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.750 -2.829 -4.069 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.929 -2.149 -2.922 1.00 1.00 H new ATOM 0 HD21 LEU A 705 38.851 -4.496 -0.932 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.818 -2.771 -0.497 1.00 1.00 H new ATOM 0 HD23 LEU A 705 37.534 -3.859 0.081 1.00 1.00 H new ATOM 319 N LEU A 706 33.706 -0.739 -1.145 1.00 1.00 N ATOM 320 CA LEU A 706 32.973 0.483 -0.809 1.00 1.00 C ATOM 321 C LEU A 706 32.097 0.316 0.431 1.00 1.00 C ATOM 322 O LEU A 706 32.035 1.216 1.269 1.00 1.00 O ATOM 323 CB LEU A 706 32.089 0.908 -1.986 1.00 1.00 C ATOM 324 CG LEU A 706 32.961 1.393 -3.155 1.00 1.00 C ATOM 325 CD1 LEU A 706 32.076 1.630 -4.380 1.00 1.00 C ATOM 326 CD2 LEU A 706 33.675 2.702 -2.780 1.00 1.00 C ATOM 0 H LEU A 706 33.444 -1.162 -2.035 1.00 1.00 H new ATOM 0 HA LEU A 706 33.719 1.248 -0.596 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.470 0.070 -2.307 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.412 1.703 -1.673 1.00 1.00 H new ATOM 0 HG LEU A 706 33.710 0.634 -3.379 1.00 1.00 H new ATOM 0 HD11 LEU A 706 32.691 1.974 -5.212 1.00 1.00 H new ATOM 0 HD12 LEU A 706 31.580 0.699 -4.656 1.00 1.00 H new ATOM 0 HD13 LEU A 706 31.326 2.385 -4.146 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.289 3.034 -3.617 1.00 1.00 H new ATOM 0 HD22 LEU A 706 32.934 3.467 -2.548 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.309 2.534 -1.909 1.00 1.00 H new ATOM 338 N ILE A 707 31.419 -0.825 0.556 1.00 1.00 N ATOM 339 CA ILE A 707 30.559 -1.046 1.718 1.00 1.00 C ATOM 340 C ILE A 707 31.385 -1.250 2.985 1.00 1.00 C ATOM 341 O ILE A 707 31.038 -0.746 4.052 1.00 1.00 O ATOM 342 CB ILE A 707 29.620 -2.240 1.495 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.665 -2.352 2.684 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.414 -3.537 1.355 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.569 -3.369 2.371 1.00 1.00 C ATOM 0 H ILE A 707 31.446 -1.593 -0.115 1.00 1.00 H new ATOM 0 HA ILE A 707 29.950 -0.151 1.847 1.00 1.00 H new ATOM 0 HB ILE A 707 29.059 -2.080 0.575 1.00 1.00 H new ATOM 0 HG12 ILE A 707 29.213 -2.657 3.575 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.222 -1.380 2.899 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.727 -4.369 1.198 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.091 -3.459 0.504 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.992 -3.710 2.263 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.891 -3.446 3.221 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.013 -3.046 1.491 1.00 1.00 H new ATOM 0 HD13 ILE A 707 28.020 -4.342 2.178 1.00 1.00 H new ATOM 357 N GLY A 708 32.478 -1.991 2.856 1.00 1.00 N ATOM 358 CA GLY A 708 33.333 -2.243 4.011 1.00 1.00 C ATOM 359 C GLY A 708 33.852 -0.932 4.598 1.00 1.00 C ATOM 360 O GLY A 708 33.864 -0.752 5.816 1.00 1.00 O ATOM 0 H GLY A 708 32.790 -2.420 1.985 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.774 -2.791 4.770 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.173 -2.873 3.717 1.00 1.00 H new ATOM 364 N LEU A 709 34.275 -0.014 3.733 1.00 1.00 N ATOM 365 CA LEU A 709 34.785 1.274 4.202 1.00 1.00 C ATOM 366 C LEU A 709 33.686 2.052 4.918 1.00 1.00 C ATOM 367 O LEU A 709 33.911 2.614 5.991 1.00 1.00 O ATOM 368 CB LEU A 709 35.323 2.093 3.018 1.00 1.00 C ATOM 369 CG LEU A 709 35.797 3.477 3.488 1.00 1.00 C ATOM 370 CD1 LEU A 709 36.858 3.336 4.583 1.00 1.00 C ATOM 371 CD2 LEU A 709 36.408 4.224 2.302 1.00 1.00 C ATOM 0 H LEU A 709 34.276 -0.133 2.720 1.00 1.00 H new ATOM 0 HA LEU A 709 35.598 1.090 4.905 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.149 1.561 2.546 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.544 2.206 2.264 1.00 1.00 H new ATOM 0 HG LEU A 709 34.944 4.026 3.887 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.183 4.326 4.904 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.435 2.799 5.432 1.00 1.00 H new ATOM 0 HD13 LEU A 709 37.712 2.783 4.193 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.747 5.208 2.627 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.255 3.659 1.913 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.658 4.339 1.519 1.00 1.00 H new ATOM 383 N ALA A 710 32.494 2.078 4.329 1.00 1.00 N ATOM 384 CA ALA A 710 31.382 2.792 4.939 1.00 1.00 C ATOM 385 C ALA A 710 31.147 2.251 6.343 1.00 1.00 C ATOM 386 O ALA A 710 30.856 2.999 7.274 1.00 1.00 O ATOM 387 CB ALA A 710 30.119 2.607 4.091 1.00 1.00 C ATOM 0 H ALA A 710 32.277 1.620 3.444 1.00 1.00 H new ATOM 0 HA ALA A 710 31.618 3.855 4.995 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.290 3.143 4.552 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.293 2.999 3.089 1.00 1.00 H new ATOM 0 HB3 ALA A 710 29.875 1.547 4.028 1.00 1.00 H new ATOM 393 N ALA A 711 31.278 0.937 6.476 1.00 1.00 N ATOM 394 CA ALA A 711 31.081 0.287 7.768 1.00 1.00 C ATOM 395 C ALA A 711 32.171 0.696 8.762 1.00 1.00 C ATOM 396 O ALA A 711 31.887 0.922 9.937 1.00 1.00 O ATOM 397 CB ALA A 711 31.081 -1.231 7.589 1.00 1.00 C ATOM 0 H ALA A 711 31.518 0.304 5.713 1.00 1.00 H new ATOM 0 HA ALA A 711 30.119 0.606 8.169 1.00 1.00 H new ATOM 0 HB1 ALA A 711 30.934 -1.711 8.556 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.274 -1.518 6.915 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.035 -1.548 7.168 1.00 1.00 H new ATOM 403 N LEU A 712 33.415 0.792 8.294 1.00 1.00 N ATOM 404 CA LEU A 712 34.517 1.176 9.175 1.00 1.00 C ATOM 405 C LEU A 712 34.279 2.569 9.741 1.00 1.00 C ATOM 406 O LEU A 712 34.491 2.811 10.929 1.00 1.00 O ATOM 407 CB LEU A 712 35.844 1.153 8.400 1.00 1.00 C ATOM 408 CG LEU A 712 37.006 1.630 9.295 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.110 0.750 10.543 1.00 1.00 C ATOM 410 CD2 LEU A 712 38.319 1.542 8.510 1.00 1.00 C ATOM 0 H LEU A 712 33.682 0.613 7.326 1.00 1.00 H new ATOM 0 HA LEU A 712 34.569 0.463 9.997 1.00 1.00 H new ATOM 0 HB2 LEU A 712 36.045 0.143 8.042 1.00 1.00 H new ATOM 0 HB3 LEU A 712 35.769 1.793 7.521 1.00 1.00 H new ATOM 0 HG LEU A 712 36.818 2.660 9.598 1.00 1.00 H new ATOM 0 HD11 LEU A 712 37.934 1.098 11.166 1.00 1.00 H new ATOM 0 HD12 LEU A 712 36.179 0.808 11.107 1.00 1.00 H new ATOM 0 HD13 LEU A 712 37.291 -0.283 10.246 1.00 1.00 H new ATOM 0 HD21 LEU A 712 39.143 1.878 9.140 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.493 0.510 8.206 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.257 2.175 7.625 1.00 1.00 H new ATOM 422 N LEU A 713 33.823 3.481 8.891 1.00 1.00 N ATOM 423 CA LEU A 713 33.548 4.839 9.340 1.00 1.00 C ATOM 424 C LEU A 713 32.363 4.857 10.301 1.00 1.00 C ATOM 425 O LEU A 713 32.364 5.593 11.288 1.00 1.00 O ATOM 426 CB LEU A 713 33.273 5.757 8.139 1.00 1.00 C ATOM 427 CG LEU A 713 34.594 6.341 7.605 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.174 7.356 8.601 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.612 5.219 7.394 1.00 1.00 C ATOM 0 H LEU A 713 33.638 3.309 7.903 1.00 1.00 H new ATOM 0 HA LEU A 713 34.427 5.209 9.867 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.769 5.197 7.351 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.603 6.564 8.434 1.00 1.00 H new ATOM 0 HG LEU A 713 34.389 6.840 6.658 1.00 1.00 H new ATOM 0 HD11 LEU A 713 36.107 7.759 8.208 1.00 1.00 H new ATOM 0 HD12 LEU A 713 34.462 8.168 8.749 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.365 6.862 9.554 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.544 5.640 7.016 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.799 4.715 8.342 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.219 4.502 6.673 1.00 1.00 H new ATOM 441 N ILE A 714 31.358 4.036 10.009 1.00 1.00 N ATOM 442 CA ILE A 714 30.177 3.974 10.868 1.00 1.00 C ATOM 443 C ILE A 714 30.561 3.481 12.264 1.00 1.00 C ATOM 444 O ILE A 714 30.133 4.050 13.269 1.00 1.00 O ATOM 445 CB ILE A 714 29.134 3.037 10.254 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.566 3.675 8.978 1.00 1.00 C ATOM 447 CG2 ILE A 714 28.007 2.783 11.259 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.359 4.557 9.313 1.00 1.00 C ATOM 0 H ILE A 714 31.335 3.415 9.200 1.00 1.00 H new ATOM 0 HA ILE A 714 29.753 4.975 10.953 1.00 1.00 H new ATOM 0 HB ILE A 714 29.603 2.085 10.004 1.00 1.00 H new ATOM 0 HG12 ILE A 714 29.336 4.272 8.489 1.00 1.00 H new ATOM 0 HG13 ILE A 714 28.271 2.896 8.275 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.268 2.115 10.816 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.418 2.324 12.158 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.532 3.729 11.519 1.00 1.00 H new ATOM 0 HD11 ILE A 714 26.968 5.002 8.398 1.00 1.00 H new ATOM 0 HD12 ILE A 714 26.584 3.950 9.781 1.00 1.00 H new ATOM 0 HD13 ILE A 714 27.665 5.347 9.999 1.00 1.00 H new ATOM 460 N TRP A 715 31.379 2.431 12.325 1.00 1.00 N ATOM 461 CA TRP A 715 31.809 1.903 13.620 1.00 1.00 C ATOM 462 C TRP A 715 32.522 3.009 14.394 1.00 1.00 C ATOM 463 O TRP A 715 32.285 3.196 15.589 1.00 1.00 O ATOM 464 CB TRP A 715 32.749 0.706 13.414 1.00 1.00 C ATOM 465 CG TRP A 715 33.047 -0.010 14.709 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.468 0.223 15.921 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.001 -1.093 14.926 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.008 -0.652 16.849 1.00 1.00 N ATOM 469 CE2 TRP A 715 33.957 -1.478 16.286 1.00 1.00 C ATOM 470 CE3 TRP A 715 34.895 -1.772 14.077 1.00 1.00 C ATOM 471 CZ2 TRP A 715 34.767 -2.500 16.785 1.00 1.00 C ATOM 472 CZ3 TRP A 715 35.715 -2.800 14.578 1.00 1.00 C ATOM 473 CH2 TRP A 715 35.649 -3.162 15.929 1.00 1.00 C ATOM 0 H TRP A 715 31.751 1.938 11.513 1.00 1.00 H new ATOM 0 HA TRP A 715 30.941 1.565 14.186 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.297 0.008 12.710 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.682 1.050 12.968 1.00 1.00 H new ATOM 0 HD1 TRP A 715 31.712 0.967 16.124 1.00 1.00 H new ATOM 0 HE1 TRP A 715 32.736 -0.682 17.832 1.00 1.00 H new ATOM 0 HE3 TRP A 715 34.952 -1.502 13.033 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 34.711 -2.777 17.827 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 36.399 -3.312 13.917 1.00 1.00 H new ATOM 0 HH2 TRP A 715 36.280 -3.952 16.308 1.00 1.00 H new ATOM 484 N LYS A 716 33.408 3.729 13.706 1.00 1.00 N ATOM 485 CA LYS A 716 34.175 4.811 14.327 1.00 1.00 C ATOM 486 C LYS A 716 33.239 5.860 14.924 1.00 1.00 C ATOM 487 O LYS A 716 33.449 6.325 16.043 1.00 1.00 O ATOM 488 CB LYS A 716 35.059 5.478 13.252 1.00 1.00 C ATOM 489 CG LYS A 716 36.002 6.572 13.821 1.00 1.00 C ATOM 490 CD LYS A 716 37.315 6.028 14.446 1.00 1.00 C ATOM 491 CE LYS A 716 37.105 5.252 15.745 1.00 1.00 C ATOM 492 NZ LYS A 716 38.414 5.118 16.442 1.00 1.00 N ATOM 0 H LYS A 716 33.613 3.583 12.718 1.00 1.00 H new ATOM 0 HA LYS A 716 34.791 4.396 15.124 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.658 4.713 12.759 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.419 5.921 12.490 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.256 7.267 13.021 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.463 7.141 14.578 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.809 5.380 13.722 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.988 6.863 14.638 1.00 1.00 H new ATOM 0 HE2 LYS A 716 36.389 5.771 16.383 1.00 1.00 H new ATOM 0 HE3 LYS A 716 36.688 4.267 15.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 38.283 4.591 17.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 39.082 4.607 15.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 38.793 6.063 16.654 1.00 1.00 H new ATOM 506 N LEU A 717 32.216 6.230 14.168 1.00 1.00 N ATOM 507 CA LEU A 717 31.262 7.231 14.632 1.00 1.00 C ATOM 508 C LEU A 717 30.540 6.743 15.888 1.00 1.00 C ATOM 509 O LEU A 717 30.360 7.499 16.844 1.00 1.00 O ATOM 510 CB LEU A 717 30.251 7.515 13.514 1.00 1.00 C ATOM 511 CG LEU A 717 29.237 8.580 13.952 1.00 1.00 C ATOM 512 CD1 LEU A 717 29.964 9.887 14.287 1.00 1.00 C ATOM 513 CD2 LEU A 717 28.249 8.831 12.809 1.00 1.00 C ATOM 0 H LEU A 717 32.024 5.857 13.238 1.00 1.00 H new ATOM 0 HA LEU A 717 31.795 8.148 14.884 1.00 1.00 H new ATOM 0 HB2 LEU A 717 30.776 7.852 12.620 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.728 6.596 13.249 1.00 1.00 H new ATOM 0 HG LEU A 717 28.704 8.229 14.836 1.00 1.00 H new ATOM 0 HD11 LEU A 717 29.238 10.638 14.597 1.00 1.00 H new ATOM 0 HD12 LEU A 717 30.673 9.712 15.096 1.00 1.00 H new ATOM 0 HD13 LEU A 717 30.499 10.242 13.406 1.00 1.00 H new ATOM 0 HD21 LEU A 717 27.525 9.587 13.113 1.00 1.00 H new ATOM 0 HD22 LEU A 717 28.791 9.180 11.930 1.00 1.00 H new ATOM 0 HD23 LEU A 717 27.727 7.905 12.569 1.00 1.00 H new ATOM 525 N LEU A 718 30.140 5.475 15.886 1.00 1.00 N ATOM 526 CA LEU A 718 29.450 4.901 17.039 1.00 1.00 C ATOM 527 C LEU A 718 30.373 4.884 18.256 1.00 1.00 C ATOM 528 O LEU A 718 29.955 5.216 19.364 1.00 1.00 O ATOM 529 CB LEU A 718 29.002 3.470 16.718 1.00 1.00 C ATOM 530 CG LEU A 718 27.896 3.489 15.655 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.632 2.064 15.169 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.598 4.067 16.238 1.00 1.00 C ATOM 0 H LEU A 718 30.279 4.830 15.108 1.00 1.00 H new ATOM 0 HA LEU A 718 28.577 5.515 17.263 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.851 2.887 16.360 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.639 2.983 17.623 1.00 1.00 H new ATOM 0 HG LEU A 718 28.223 4.115 14.824 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.846 2.077 14.414 1.00 1.00 H new ATOM 0 HD12 LEU A 718 28.544 1.652 14.737 1.00 1.00 H new ATOM 0 HD13 LEU A 718 27.317 1.445 16.009 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.825 4.073 15.470 1.00 1.00 H new ATOM 0 HD22 LEU A 718 26.271 3.453 17.077 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.776 5.086 16.581 1.00 1.00 H new ATOM 544 N ILE A 719 31.621 4.496 18.046 1.00 1.00 N ATOM 545 CA ILE A 719 32.579 4.444 19.141 1.00 1.00 C ATOM 546 C ILE A 719 32.838 5.833 19.726 1.00 1.00 C ATOM 547 O ILE A 719 32.910 6.006 20.943 1.00 1.00 O ATOM 548 CB ILE A 719 33.899 3.846 18.654 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.702 2.357 18.342 1.00 1.00 C ATOM 550 CG2 ILE A 719 34.952 4.016 19.750 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.881 1.844 17.515 1.00 1.00 C ATOM 0 H ILE A 719 31.992 4.215 17.138 1.00 1.00 H new ATOM 0 HA ILE A 719 32.153 3.816 19.923 1.00 1.00 H new ATOM 0 HB ILE A 719 34.229 4.356 17.749 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.621 1.789 19.269 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.770 2.210 17.795 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.899 3.593 19.414 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.085 5.076 19.966 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.624 3.500 20.653 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.738 0.786 17.295 1.00 1.00 H new ATOM 0 HD12 ILE A 719 34.942 2.404 16.582 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.805 1.976 18.078 1.00 1.00 H new ATOM 563 N THR A 720 32.964 6.821 18.843 1.00 1.00 N ATOM 564 CA THR A 720 33.206 8.204 19.254 1.00 1.00 C ATOM 565 C THR A 720 32.063 8.732 20.119 1.00 1.00 C ATOM 566 O THR A 720 32.291 9.404 21.121 1.00 1.00 O ATOM 567 CB THR A 720 33.349 9.092 18.011 1.00 1.00 C ATOM 568 OG1 THR A 720 34.275 8.498 17.107 1.00 1.00 O ATOM 569 CG2 THR A 720 33.840 10.489 18.408 1.00 1.00 C ATOM 0 H THR A 720 32.902 6.689 17.833 1.00 1.00 H new ATOM 0 HA THR A 720 34.124 8.227 19.841 1.00 1.00 H new ATOM 0 HB THR A 720 32.376 9.186 17.529 1.00 1.00 H new ATOM 0 HG1 THR A 720 33.793 7.928 16.472 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.937 11.108 17.516 1.00 1.00 H new ATOM 0 HG22 THR A 720 33.124 10.946 19.091 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.809 10.408 18.900 1.00 1.00 H new ATOM 577 N ILE A 721 30.836 8.434 19.711 1.00 1.00 N ATOM 578 CA ILE A 721 29.639 8.889 20.421 1.00 1.00 C ATOM 579 C ILE A 721 29.546 8.335 21.842 1.00 1.00 C ATOM 580 O ILE A 721 29.129 9.047 22.756 1.00 1.00 O ATOM 581 CB ILE A 721 28.381 8.496 19.645 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.300 9.319 18.359 1.00 1.00 C ATOM 583 CG2 ILE A 721 27.142 8.767 20.501 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.259 8.700 17.428 1.00 1.00 C ATOM 0 H ILE A 721 30.639 7.873 18.883 1.00 1.00 H new ATOM 0 HA ILE A 721 29.716 9.974 20.494 1.00 1.00 H new ATOM 0 HB ILE A 721 28.425 7.435 19.399 1.00 1.00 H new ATOM 0 HG12 ILE A 721 28.031 10.350 18.590 1.00 1.00 H new ATOM 0 HG13 ILE A 721 29.273 9.346 17.869 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.247 8.486 19.945 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.198 8.181 21.418 1.00 1.00 H new ATOM 0 HG23 ILE A 721 27.096 9.827 20.750 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.199 9.284 16.510 1.00 1.00 H new ATOM 0 HD12 ILE A 721 27.548 7.677 17.188 1.00 1.00 H new ATOM 0 HD13 ILE A 721 26.287 8.697 17.921 1.00 1.00 H new ATOM 596 N HIS A 722 29.913 7.075 22.041 1.00 1.00 N ATOM 597 CA HIS A 722 29.827 6.507 23.382 1.00 1.00 C ATOM 598 C HIS A 722 30.561 7.399 24.383 1.00 1.00 C ATOM 599 O HIS A 722 30.057 7.660 25.475 1.00 1.00 O ATOM 600 CB HIS A 722 30.434 5.101 23.416 1.00 1.00 C ATOM 601 CG HIS A 722 29.496 4.127 22.759 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.338 4.069 21.385 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.668 3.161 23.273 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.447 3.100 21.119 1.00 1.00 C ATOM 605 NE2 HIS A 722 28.006 2.512 22.234 1.00 1.00 N ATOM 0 H HIS A 722 30.262 6.445 21.319 1.00 1.00 H new ATOM 0 HA HIS A 722 28.773 6.445 23.655 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.395 5.097 22.903 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.622 4.801 24.447 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.812 4.656 20.699 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.548 2.938 24.323 1.00 1.00 H new ATOM 0 HE1 HIS A 722 28.126 2.829 20.124 1.00 1.00 H new ATOM 613 N ASP A 723 31.758 7.853 24.013 1.00 1.00 N ATOM 614 CA ASP A 723 32.549 8.701 24.904 1.00 1.00 C ATOM 615 C ASP A 723 32.456 10.179 24.509 1.00 1.00 C ATOM 616 O ASP A 723 33.176 11.010 25.063 1.00 1.00 O ATOM 617 CB ASP A 723 34.016 8.249 24.884 1.00 1.00 C ATOM 618 CG ASP A 723 34.686 8.641 23.569 1.00 1.00 C ATOM 619 OD1 ASP A 723 33.999 9.145 22.700 1.00 1.00 O ATOM 620 OD2 ASP A 723 35.882 8.424 23.451 1.00 1.00 O ATOM 0 H ASP A 723 32.197 7.651 23.115 1.00 1.00 H new ATOM 0 HA ASP A 723 32.144 8.598 25.911 1.00 1.00 H new ATOM 0 HB2 ASP A 723 34.552 8.700 25.719 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.070 7.169 25.017 1.00 1.00 H new ATOM 625 N ARG A 724 31.574 10.508 23.561 1.00 1.00 N ATOM 626 CA ARG A 724 31.418 11.902 23.126 1.00 1.00 C ATOM 627 C ARG A 724 29.941 12.310 23.134 1.00 1.00 C ATOM 628 O ARG A 724 29.063 11.511 22.807 1.00 1.00 O ATOM 629 CB ARG A 724 31.997 12.091 21.718 1.00 1.00 C ATOM 630 CG ARG A 724 31.989 13.578 21.343 1.00 1.00 C ATOM 631 CD ARG A 724 32.466 13.741 19.896 1.00 1.00 C ATOM 632 NE ARG A 724 33.873 13.374 19.771 1.00 1.00 N ATOM 633 CZ ARG A 724 34.838 14.256 20.019 1.00 1.00 C ATOM 634 NH1 ARG A 724 34.535 15.463 20.420 1.00 1.00 N ATOM 635 NH2 ARG A 724 36.089 13.916 19.866 1.00 1.00 N ATOM 0 H ARG A 724 30.965 9.842 23.086 1.00 1.00 H new ATOM 0 HA ARG A 724 31.963 12.537 23.825 1.00 1.00 H new ATOM 0 HB2 ARG A 724 33.015 11.703 21.679 1.00 1.00 H new ATOM 0 HB3 ARG A 724 31.412 11.522 20.996 1.00 1.00 H new ATOM 0 HG2 ARG A 724 30.985 13.987 21.455 1.00 1.00 H new ATOM 0 HG3 ARG A 724 32.638 14.138 22.017 1.00 1.00 H new ATOM 0 HD2 ARG A 724 31.863 13.117 19.237 1.00 1.00 H new ATOM 0 HD3 ARG A 724 32.325 14.773 19.576 1.00 1.00 H new ATOM 0 HE ARG A 724 34.121 12.426 19.489 1.00 1.00 H new ATOM 0 HH11 ARG A 724 33.558 15.729 20.543 1.00 1.00 H new ATOM 0 HH12 ARG A 724 35.276 16.138 20.610 1.00 1.00 H new ATOM 0 HH21 ARG A 724 36.327 12.974 19.556 1.00 1.00 H new ATOM 0 HH22 ARG A 724 36.828 14.593 20.056 1.00 1.00 H new ATOM 649 N LYS A 725 29.683 13.560 23.513 1.00 1.00 N ATOM 650 CA LYS A 725 28.317 14.082 23.568 1.00 1.00 C ATOM 651 C LYS A 725 28.245 15.457 22.897 1.00 1.00 C ATOM 652 O LYS A 725 29.218 16.211 22.915 1.00 1.00 O ATOM 653 CB LYS A 725 27.870 14.194 25.026 1.00 1.00 C ATOM 654 CG LYS A 725 27.754 12.798 25.643 1.00 1.00 C ATOM 655 CD LYS A 725 27.290 12.928 27.094 1.00 1.00 C ATOM 656 CE LYS A 725 27.236 11.546 27.750 1.00 1.00 C ATOM 657 NZ LYS A 725 26.315 10.661 26.984 1.00 1.00 N ATOM 0 H LYS A 725 30.401 14.231 23.787 1.00 1.00 H new ATOM 0 HA LYS A 725 27.656 13.398 23.036 1.00 1.00 H new ATOM 0 HB2 LYS A 725 28.586 14.792 25.590 1.00 1.00 H new ATOM 0 HB3 LYS A 725 26.910 14.707 25.083 1.00 1.00 H new ATOM 0 HG2 LYS A 725 27.047 12.194 25.075 1.00 1.00 H new ATOM 0 HG3 LYS A 725 28.716 12.287 25.600 1.00 1.00 H new ATOM 0 HD2 LYS A 725 27.971 13.576 27.646 1.00 1.00 H new ATOM 0 HD3 LYS A 725 26.306 13.396 27.130 1.00 1.00 H new ATOM 0 HE2 LYS A 725 28.234 11.109 27.781 1.00 1.00 H new ATOM 0 HE3 LYS A 725 26.895 11.636 28.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 26.054 9.842 27.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 25.457 11.191 26.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 26.789 10.332 26.119 1.00 1.00 H new ATOM 671 N GLU A 726 27.096 15.775 22.299 1.00 1.00 N ATOM 672 CA GLU A 726 26.930 17.063 21.621 1.00 1.00 C ATOM 673 C GLU A 726 26.895 18.219 22.623 1.00 1.00 C ATOM 674 O GLU A 726 27.470 19.279 22.375 1.00 1.00 O ATOM 675 CB GLU A 726 25.652 17.048 20.765 1.00 1.00 C ATOM 676 CG GLU A 726 24.408 17.048 21.658 1.00 1.00 C ATOM 677 CD GLU A 726 23.154 16.917 20.797 1.00 1.00 C ATOM 678 OE1 GLU A 726 23.281 16.985 19.587 1.00 1.00 O ATOM 679 OE2 GLU A 726 22.086 16.751 21.361 1.00 1.00 O ATOM 0 H GLU A 726 26.276 15.168 22.269 1.00 1.00 H new ATOM 0 HA GLU A 726 27.790 17.218 20.969 1.00 1.00 H new ATOM 0 HB2 GLU A 726 25.636 17.919 20.109 1.00 1.00 H new ATOM 0 HB3 GLU A 726 25.647 16.166 20.124 1.00 1.00 H new ATOM 0 HG2 GLU A 726 24.460 16.224 22.369 1.00 1.00 H new ATOM 0 HG3 GLU A 726 24.366 17.969 22.240 1.00 1.00 H new ATOM 686 N PHE A 727 26.228 18.007 23.755 1.00 1.00 N ATOM 687 CA PHE A 727 26.139 19.041 24.783 1.00 1.00 C ATOM 688 C PHE A 727 25.840 20.399 24.157 1.00 1.00 C ATOM 689 O PHE A 727 24.713 20.600 23.732 1.00 1.00 O ATOM 690 CB PHE A 727 27.455 19.111 25.564 1.00 1.00 C ATOM 691 CG PHE A 727 27.376 20.212 26.597 1.00 1.00 C ATOM 692 CD1 PHE A 727 26.496 20.089 27.680 1.00 1.00 C ATOM 693 CD2 PHE A 727 28.181 21.353 26.476 1.00 1.00 C ATOM 694 CE1 PHE A 727 26.418 21.106 28.639 1.00 1.00 C ATOM 695 CE2 PHE A 727 28.104 22.370 27.436 1.00 1.00 C ATOM 696 CZ PHE A 727 27.222 22.247 28.517 1.00 1.00 C ATOM 697 OXT PHE A 727 26.742 21.218 24.110 1.00 1.00 O ATOM 0 H PHE A 727 25.746 17.138 23.983 1.00 1.00 H new ATOM 0 HA PHE A 727 25.326 18.784 25.462 1.00 1.00 H new ATOM 0 HB2 PHE A 727 27.652 18.156 26.051 1.00 1.00 H new ATOM 0 HB3 PHE A 727 28.284 19.298 24.882 1.00 1.00 H new ATOM 0 HD1 PHE A 727 25.877 19.209 27.775 1.00 1.00 H new ATOM 0 HD2 PHE A 727 28.861 21.448 25.642 1.00 1.00 H new ATOM 0 HE1 PHE A 727 25.738 21.011 29.473 1.00 1.00 H new ATOM 0 HE2 PHE A 727 28.725 23.249 27.343 1.00 1.00 H new ATOM 0 HZ PHE A 727 27.162 23.032 29.257 1.00 1.00 H new TER 707 PHE A 727