USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 351 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.38) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc=-0.00415 K(o=-0.0042,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.549 -28.310 3.446 1.00 0.00 N ATOM 2 CA ILE A 88 -17.751 -26.874 3.299 1.00 0.00 C ATOM 3 C ILE A 88 -16.556 -26.092 3.834 1.00 0.00 C ATOM 4 O ILE A 88 -16.280 -24.979 3.388 1.00 0.00 O ATOM 5 CB ILE A 88 -19.025 -26.407 4.028 1.00 0.00 C ATOM 6 CG1 ILE A 88 -18.922 -26.711 5.524 1.00 0.00 C ATOM 7 CG2 ILE A 88 -20.253 -27.075 3.429 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.085 -26.175 6.330 1.00 0.00 C ATOM 0 HA ILE A 88 -17.861 -26.679 2.232 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.125 -25.329 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -18.860 -27.790 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -17.996 -26.286 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.145 -26.735 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -20.332 -26.813 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.164 -28.157 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -19.946 -26.427 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -20.135 -25.092 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -21.013 -26.620 5.970 1.00 0.00 H new ATOM 20 N ASP A 89 -15.851 -26.684 4.792 1.00 0.00 N ATOM 21 CA ASP A 89 -14.683 -26.045 5.387 1.00 0.00 C ATOM 22 C ASP A 89 -13.591 -25.830 4.344 1.00 0.00 C ATOM 23 O ASP A 89 -13.074 -24.723 4.190 1.00 0.00 O ATOM 24 CB ASP A 89 -14.144 -26.891 6.541 1.00 0.00 C ATOM 25 CG ASP A 89 -13.259 -26.095 7.480 1.00 0.00 C ATOM 26 OD1 ASP A 89 -12.702 -25.067 7.041 1.00 0.00 O ATOM 27 OD2 ASP A 89 -13.125 -26.499 8.654 1.00 0.00 O ATOM 0 H ASP A 89 -16.068 -27.605 5.173 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.989 -25.072 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -14.980 -27.309 7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.578 -27.731 6.138 1.00 0.00 H new ATOM 32 N VAL A 90 -13.243 -26.896 3.631 1.00 0.00 N ATOM 33 CA VAL A 90 -12.211 -26.824 2.603 1.00 0.00 C ATOM 34 C VAL A 90 -12.576 -25.805 1.529 1.00 0.00 C ATOM 35 O VAL A 90 -11.703 -25.151 0.957 1.00 0.00 O ATOM 36 CB VAL A 90 -11.985 -28.195 1.939 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.456 -29.199 2.952 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.272 -28.697 1.300 1.00 0.00 C ATOM 0 H VAL A 90 -13.660 -27.820 3.746 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.291 -26.512 3.098 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.238 -28.080 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.303 -30.162 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.509 -28.842 3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.177 -29.313 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.093 -29.667 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.043 -28.797 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.603 -27.987 0.542 1.00 0.00 H new ATOM 48 N LEU A 91 -13.871 -25.675 1.260 1.00 0.00 N ATOM 49 CA LEU A 91 -14.353 -24.735 0.254 1.00 0.00 C ATOM 50 C LEU A 91 -14.109 -23.295 0.695 1.00 0.00 C ATOM 51 O LEU A 91 -13.482 -22.514 -0.022 1.00 0.00 O ATOM 52 CB LEU A 91 -15.844 -24.955 -0.006 1.00 0.00 C ATOM 53 CG LEU A 91 -16.247 -26.362 -0.448 1.00 0.00 C ATOM 54 CD1 LEU A 91 -17.747 -26.437 -0.688 1.00 0.00 C ATOM 55 CD2 LEU A 91 -15.483 -26.768 -1.700 1.00 0.00 C ATOM 0 H LEU A 91 -14.606 -26.209 1.725 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.800 -24.913 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.391 -24.711 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.167 -24.249 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.992 -27.059 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -18.015 -27.446 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -18.276 -26.191 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -18.027 -25.728 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.783 -27.772 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.705 -26.068 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.413 -26.756 -1.493 1.00 0.00 H new ATOM 67 N ARG A 92 -14.607 -22.951 1.878 1.00 0.00 N ATOM 68 CA ARG A 92 -14.442 -21.605 2.414 1.00 0.00 C ATOM 69 C ARG A 92 -12.965 -21.272 2.603 1.00 0.00 C ATOM 70 O ARG A 92 -12.564 -20.112 2.511 1.00 0.00 O ATOM 71 CB ARG A 92 -15.181 -21.470 3.747 1.00 0.00 C ATOM 72 CG ARG A 92 -16.468 -20.667 3.651 1.00 0.00 C ATOM 73 CD ARG A 92 -16.188 -19.174 3.571 1.00 0.00 C ATOM 74 NE ARG A 92 -17.332 -18.378 4.006 1.00 0.00 N ATOM 75 CZ ARG A 92 -17.746 -18.314 5.267 1.00 0.00 C ATOM 76 NH1 ARG A 92 -17.111 -18.994 6.212 1.00 0.00 N ATOM 77 NH2 ARG A 92 -18.796 -17.567 5.585 1.00 0.00 N ATOM 0 H ARG A 92 -15.128 -23.585 2.483 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.866 -20.901 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.411 -22.465 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.520 -20.996 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -17.029 -20.981 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.094 -20.875 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.323 -18.934 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.930 -18.908 2.546 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.841 -17.842 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -16.303 -19.568 5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.431 -18.943 7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -19.286 -17.041 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -19.113 -17.519 6.553 1.00 0.00 H new ATOM 91 N ALA A 93 -12.161 -22.297 2.867 1.00 0.00 N ATOM 92 CA ALA A 93 -10.730 -22.113 3.067 1.00 0.00 C ATOM 93 C ALA A 93 -10.073 -21.517 1.827 1.00 0.00 C ATOM 94 O ALA A 93 -9.166 -20.691 1.928 1.00 0.00 O ATOM 95 CB ALA A 93 -10.073 -23.437 3.429 1.00 0.00 C ATOM 0 H ALA A 93 -12.477 -23.263 2.947 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.592 -21.413 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.004 -23.285 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.514 -23.823 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.230 -24.154 2.623 1.00 0.00 H new ATOM 101 N LYS A 94 -10.538 -21.940 0.656 1.00 0.00 N ATOM 102 CA LYS A 94 -9.998 -21.448 -0.605 1.00 0.00 C ATOM 103 C LYS A 94 -10.411 -19.999 -0.846 1.00 0.00 C ATOM 104 O LYS A 94 -9.707 -19.247 -1.520 1.00 0.00 O ATOM 105 CB LYS A 94 -10.476 -22.325 -1.766 1.00 0.00 C ATOM 106 CG LYS A 94 -9.596 -22.231 -3.000 1.00 0.00 C ATOM 107 CD LYS A 94 -8.632 -23.402 -3.089 1.00 0.00 C ATOM 108 CE LYS A 94 -8.871 -24.227 -4.344 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.419 -23.514 -5.571 1.00 0.00 N ATOM 0 H LYS A 94 -11.289 -22.623 0.555 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.910 -21.493 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.514 -23.363 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.493 -22.038 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.221 -22.205 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.034 -21.297 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.607 -23.032 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.745 -24.035 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.343 -25.177 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.933 -24.459 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.599 -24.109 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.941 -22.620 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.401 -23.315 -5.501 1.00 0.00 H new ATOM 123 N ALA A 95 -11.555 -19.615 -0.289 1.00 0.00 N ATOM 124 CA ALA A 95 -12.059 -18.255 -0.441 1.00 0.00 C ATOM 125 C ALA A 95 -11.217 -17.266 0.358 1.00 0.00 C ATOM 126 O ALA A 95 -10.996 -16.134 -0.074 1.00 0.00 O ATOM 127 CB ALA A 95 -13.516 -18.181 -0.008 1.00 0.00 C ATOM 0 H ALA A 95 -12.150 -20.226 0.271 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.990 -17.983 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.879 -17.160 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.113 -18.853 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.600 -18.477 1.038 1.00 0.00 H new ATOM 133 N ALA A 96 -10.750 -17.699 1.524 1.00 0.00 N ATOM 134 CA ALA A 96 -9.931 -16.851 2.382 1.00 0.00 C ATOM 135 C ALA A 96 -8.532 -16.673 1.804 1.00 0.00 C ATOM 136 O ALA A 96 -8.019 -15.557 1.722 1.00 0.00 O ATOM 137 CB ALA A 96 -9.855 -17.436 3.784 1.00 0.00 C ATOM 0 H ALA A 96 -10.925 -18.632 1.897 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.401 -15.869 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.240 -16.793 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.858 -17.504 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.412 -18.431 3.740 1.00 0.00 H new ATOM 143 N LYS A 97 -7.917 -17.781 1.403 1.00 0.00 N ATOM 144 CA LYS A 97 -6.576 -17.749 0.831 1.00 0.00 C ATOM 145 C LYS A 97 -6.496 -16.742 -0.312 1.00 0.00 C ATOM 146 O LYS A 97 -5.544 -15.969 -0.403 1.00 0.00 O ATOM 147 CB LYS A 97 -6.180 -19.139 0.330 1.00 0.00 C ATOM 148 CG LYS A 97 -5.599 -20.034 1.410 1.00 0.00 C ATOM 149 CD LYS A 97 -4.081 -19.978 1.424 1.00 0.00 C ATOM 150 CE LYS A 97 -3.537 -19.950 2.843 1.00 0.00 C ATOM 151 NZ LYS A 97 -2.157 -20.504 2.920 1.00 0.00 N ATOM 0 H LYS A 97 -8.327 -18.713 1.464 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.882 -17.440 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.057 -19.624 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.450 -19.032 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.984 -19.729 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.925 -21.061 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.679 -20.843 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.744 -19.092 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.537 -18.924 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.195 -20.524 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.822 -20.467 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.160 -21.491 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.523 -19.941 2.317 1.00 0.00 H new ATOM 165 N GLU A 98 -7.503 -16.757 -1.179 1.00 0.00 N ATOM 166 CA GLU A 98 -7.546 -15.844 -2.316 1.00 0.00 C ATOM 167 C GLU A 98 -7.646 -14.396 -1.846 1.00 0.00 C ATOM 168 O GLU A 98 -7.141 -13.484 -2.500 1.00 0.00 O ATOM 169 CB GLU A 98 -8.729 -16.181 -3.225 1.00 0.00 C ATOM 170 CG GLU A 98 -8.895 -15.219 -4.389 1.00 0.00 C ATOM 171 CD GLU A 98 -7.582 -14.910 -5.082 1.00 0.00 C ATOM 172 OE1 GLU A 98 -6.814 -15.858 -5.350 1.00 0.00 O ATOM 173 OE2 GLU A 98 -7.322 -13.719 -5.356 1.00 0.00 O ATOM 0 H GLU A 98 -8.300 -17.391 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.621 -15.962 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.601 -17.191 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.644 -16.182 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.591 -15.645 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.338 -14.291 -4.028 1.00 0.00 H new ATOM 180 N ARG A 99 -8.303 -14.193 -0.709 1.00 0.00 N ATOM 181 CA ARG A 99 -8.473 -12.856 -0.152 1.00 0.00 C ATOM 182 C ARG A 99 -7.134 -12.284 0.304 1.00 0.00 C ATOM 183 O ARG A 99 -6.781 -11.156 -0.037 1.00 0.00 O ATOM 184 CB ARG A 99 -9.452 -12.890 1.023 1.00 0.00 C ATOM 185 CG ARG A 99 -10.706 -12.062 0.794 1.00 0.00 C ATOM 186 CD ARG A 99 -11.937 -12.745 1.371 1.00 0.00 C ATOM 187 NE ARG A 99 -12.836 -13.226 0.325 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.645 -12.434 -0.370 1.00 0.00 C ATOM 189 NH1 ARG A 99 -13.667 -11.129 -0.132 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.435 -12.946 -1.305 1.00 0.00 N ATOM 0 H ARG A 99 -8.727 -14.937 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.877 -12.212 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.739 -13.924 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.946 -12.528 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.584 -11.081 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.846 -11.899 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.627 -13.582 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.471 -12.046 2.015 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.843 -14.225 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.062 -10.731 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.289 -10.523 -0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.422 -13.949 -1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.056 -12.337 -1.838 1.00 0.00 H new ATOM 204 N ALA A 100 -6.393 -13.070 1.079 1.00 0.00 N ATOM 205 CA ALA A 100 -5.093 -12.642 1.581 1.00 0.00 C ATOM 206 C ALA A 100 -4.162 -12.258 0.436 1.00 0.00 C ATOM 207 O ALA A 100 -3.321 -11.372 0.579 1.00 0.00 O ATOM 208 CB ALA A 100 -4.467 -13.740 2.427 1.00 0.00 C ATOM 0 H ALA A 100 -6.671 -14.006 1.373 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.244 -11.760 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.497 -13.407 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.118 -13.964 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.337 -14.637 1.821 1.00 0.00 H new ATOM 214 N GLU A 101 -4.319 -12.931 -0.700 1.00 0.00 N ATOM 215 CA GLU A 101 -3.490 -12.660 -1.868 1.00 0.00 C ATOM 216 C GLU A 101 -3.692 -11.229 -2.359 1.00 0.00 C ATOM 217 O GLU A 101 -2.768 -10.602 -2.875 1.00 0.00 O ATOM 218 CB GLU A 101 -3.815 -13.647 -2.992 1.00 0.00 C ATOM 219 CG GLU A 101 -2.659 -14.567 -3.346 1.00 0.00 C ATOM 220 CD GLU A 101 -2.648 -14.952 -4.813 1.00 0.00 C ATOM 221 OE1 GLU A 101 -2.803 -14.051 -5.664 1.00 0.00 O ATOM 222 OE2 GLU A 101 -2.484 -16.154 -5.109 1.00 0.00 O ATOM 0 H GLU A 101 -5.012 -13.667 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.447 -12.782 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.672 -14.252 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.110 -13.089 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.719 -14.076 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.718 -15.470 -2.738 1.00 0.00 H new ATOM 229 N ARG A 102 -4.909 -10.720 -2.194 1.00 0.00 N ATOM 230 CA ARG A 102 -5.234 -9.365 -2.621 1.00 0.00 C ATOM 231 C ARG A 102 -4.597 -8.334 -1.694 1.00 0.00 C ATOM 232 O ARG A 102 -3.888 -7.434 -2.144 1.00 0.00 O ATOM 233 CB ARG A 102 -6.751 -9.168 -2.654 1.00 0.00 C ATOM 234 CG ARG A 102 -7.178 -7.820 -3.212 1.00 0.00 C ATOM 235 CD ARG A 102 -8.382 -7.265 -2.467 1.00 0.00 C ATOM 236 NE ARG A 102 -9.642 -7.746 -3.030 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.144 -7.315 -4.182 1.00 0.00 C ATOM 238 NH1 ARG A 102 -9.497 -6.399 -4.890 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.296 -7.800 -4.628 1.00 0.00 N ATOM 0 H ARG A 102 -5.685 -11.226 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.833 -9.222 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.199 -9.959 -3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.145 -9.275 -1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.349 -7.116 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.419 -7.923 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.322 -7.550 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.361 -6.176 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.164 -8.451 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.612 -6.024 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.885 -6.070 -5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.797 -8.504 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.681 -7.468 -5.513 1.00 0.00 H new ATOM 253 N ARG A 103 -4.854 -8.474 -0.397 1.00 0.00 N ATOM 254 CA ARG A 103 -4.307 -7.554 0.594 1.00 0.00 C ATOM 255 C ARG A 103 -2.783 -7.515 0.516 1.00 0.00 C ATOM 256 O ARG A 103 -2.177 -6.443 0.537 1.00 0.00 O ATOM 257 CB ARG A 103 -4.746 -7.966 2.000 1.00 0.00 C ATOM 258 CG ARG A 103 -6.186 -7.599 2.320 1.00 0.00 C ATOM 259 CD ARG A 103 -6.941 -8.776 2.919 1.00 0.00 C ATOM 260 NE ARG A 103 -8.344 -8.457 3.166 1.00 0.00 N ATOM 261 CZ ARG A 103 -9.280 -8.484 2.225 1.00 0.00 C ATOM 262 NH1 ARG A 103 -8.964 -8.813 0.980 1.00 0.00 N ATOM 263 NH2 ARG A 103 -10.536 -8.181 2.527 1.00 0.00 N ATOM 0 H ARG A 103 -5.437 -9.215 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.691 -6.557 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.622 -9.043 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.089 -7.494 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.203 -6.762 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.689 -7.267 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.877 -9.629 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.467 -9.073 3.854 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.620 -8.199 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.000 -9.046 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.685 -8.833 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.784 -7.927 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.254 -8.202 1.803 1.00 0.00 H new ATOM 277 N LEU A 104 -2.171 -8.690 0.427 1.00 0.00 N ATOM 278 CA LEU A 104 -0.717 -8.791 0.347 1.00 0.00 C ATOM 279 C LEU A 104 -0.186 -8.036 -0.868 1.00 0.00 C ATOM 280 O LEU A 104 0.917 -7.489 -0.835 1.00 0.00 O ATOM 281 CB LEU A 104 -0.291 -10.258 0.276 1.00 0.00 C ATOM 282 CG LEU A 104 1.009 -10.615 0.994 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.932 -12.019 1.573 1.00 0.00 C ATOM 284 CD2 LEU A 104 2.194 -10.490 0.047 1.00 0.00 C ATOM 0 H LEU A 104 -2.658 -9.586 0.408 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.296 -8.340 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.092 -10.869 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.191 -10.536 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 104 1.151 -9.913 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.867 -12.255 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.109 -12.074 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.765 -12.736 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.111 -10.748 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.059 -11.167 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.262 -9.465 -0.318 1.00 0.00 H new ATOM 296 N GLN A 105 -0.977 -8.010 -1.934 1.00 0.00 N ATOM 297 CA GLN A 105 -0.585 -7.320 -3.158 1.00 0.00 C ATOM 298 C GLN A 105 -0.688 -5.808 -2.988 1.00 0.00 C ATOM 299 O GLN A 105 0.046 -5.051 -3.623 1.00 0.00 O ATOM 300 CB GLN A 105 -1.462 -7.774 -4.327 1.00 0.00 C ATOM 301 CG GLN A 105 -0.718 -7.854 -5.650 1.00 0.00 C ATOM 302 CD GLN A 105 -1.326 -8.866 -6.602 1.00 0.00 C ATOM 303 OE1 GLN A 105 -2.545 -8.933 -6.758 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.477 -9.659 -7.245 1.00 0.00 N ATOM 0 H GLN A 105 -1.892 -8.458 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 105 0.454 -7.573 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.882 -8.753 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.299 -7.084 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.718 -6.872 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.323 -8.118 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.526 -9.569 -7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.828 -10.359 -7.899 1.00 0.00 H new ATOM 313 N SER A 106 -1.604 -5.375 -2.127 1.00 0.00 N ATOM 314 CA SER A 106 -1.805 -3.953 -1.876 1.00 0.00 C ATOM 315 C SER A 106 -0.748 -3.416 -0.917 1.00 0.00 C ATOM 316 O SER A 106 -0.409 -2.233 -0.951 1.00 0.00 O ATOM 317 CB SER A 106 -3.203 -3.708 -1.304 1.00 0.00 C ATOM 318 OG SER A 106 -3.193 -2.636 -0.376 1.00 0.00 O ATOM 0 H SER A 106 -2.218 -5.989 -1.592 1.00 0.00 H new ATOM 0 HA SER A 106 -1.711 -3.424 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.897 -3.485 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.563 -4.613 -0.815 1.00 0.00 H new ATOM 0 HG SER A 106 -4.098 -2.498 -0.026 1.00 0.00 H new ATOM 324 N GLN A 107 -0.233 -4.293 -0.062 1.00 0.00 N ATOM 325 CA GLN A 107 0.784 -3.907 0.907 1.00 0.00 C ATOM 326 C GLN A 107 2.006 -3.320 0.209 1.00 0.00 C ATOM 327 O GLN A 107 2.369 -2.167 0.439 1.00 0.00 O ATOM 328 CB GLN A 107 1.195 -5.113 1.753 1.00 0.00 C ATOM 329 CG GLN A 107 0.705 -5.043 3.191 1.00 0.00 C ATOM 330 CD GLN A 107 1.831 -5.163 4.198 1.00 0.00 C ATOM 331 OE1 GLN A 107 1.820 -6.046 5.057 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.812 -4.274 4.099 1.00 0.00 N ATOM 0 H GLN A 107 -0.504 -5.276 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 107 0.359 -3.143 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.808 -6.020 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.282 -5.194 1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.182 -4.099 3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.018 -5.840 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.781 -3.559 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.597 -4.306 4.750 1.00 0.00 H new ATOM 341 N GLN A 108 2.636 -4.122 -0.643 1.00 0.00 N ATOM 342 CA GLN A 108 3.819 -3.681 -1.374 1.00 0.00 C ATOM 343 C GLN A 108 3.481 -2.527 -2.311 1.00 0.00 C ATOM 344 O GLN A 108 4.306 -1.643 -2.545 1.00 0.00 O ATOM 345 CB GLN A 108 4.415 -4.843 -2.170 1.00 0.00 C ATOM 346 CG GLN A 108 5.807 -5.245 -1.710 1.00 0.00 C ATOM 347 CD GLN A 108 6.820 -5.236 -2.838 1.00 0.00 C ATOM 348 OE1 GLN A 108 6.814 -4.344 -3.686 1.00 0.00 O ATOM 349 NE2 GLN A 108 7.698 -6.233 -2.853 1.00 0.00 N ATOM 0 H GLN A 108 2.348 -5.080 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 108 4.554 -3.332 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 108 3.752 -5.705 -2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.455 -4.568 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.137 -4.564 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.767 -6.242 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.666 -6.951 -2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.404 -6.280 -3.588 1.00 0.00 H new ATOM 358 N ASP A 109 2.265 -2.542 -2.844 1.00 0.00 N ATOM 359 CA ASP A 109 1.817 -1.496 -3.756 1.00 0.00 C ATOM 360 C ASP A 109 0.998 -0.443 -3.016 1.00 0.00 C ATOM 361 O ASP A 109 -0.029 0.020 -3.511 1.00 0.00 O ATOM 362 CB ASP A 109 0.989 -2.100 -4.891 1.00 0.00 C ATOM 363 CG ASP A 109 1.202 -1.382 -6.209 1.00 0.00 C ATOM 364 OD1 ASP A 109 2.341 -1.411 -6.724 1.00 0.00 O ATOM 365 OD2 ASP A 109 0.232 -0.791 -6.727 1.00 0.00 O ATOM 0 H ASP A 109 1.571 -3.267 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 109 2.699 -1.013 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.250 -3.152 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -0.068 -2.061 -4.626 1.00 0.00 H new ATOM 370 N ASP A 110 1.459 -0.071 -1.827 1.00 0.00 N ATOM 371 CA ASP A 110 0.769 0.927 -1.018 1.00 0.00 C ATOM 372 C ASP A 110 1.459 2.284 -1.124 1.00 0.00 C ATOM 373 O ASP A 110 0.801 3.319 -1.226 1.00 0.00 O ATOM 374 CB ASP A 110 0.715 0.481 0.444 1.00 0.00 C ATOM 375 CG ASP A 110 -0.448 1.097 1.195 1.00 0.00 C ATOM 376 OD1 ASP A 110 -0.341 2.276 1.593 1.00 0.00 O ATOM 377 OD2 ASP A 110 -1.468 0.400 1.385 1.00 0.00 O ATOM 0 H ASP A 110 2.307 -0.445 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 110 -0.248 1.026 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.637 -0.605 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.648 0.753 0.938 1.00 0.00 H new ATOM 382 N ILE A 111 2.788 2.270 -1.096 1.00 0.00 N ATOM 383 CA ILE A 111 3.566 3.499 -1.190 1.00 0.00 C ATOM 384 C ILE A 111 4.098 3.707 -2.603 1.00 0.00 C ATOM 385 O ILE A 111 5.193 4.238 -2.793 1.00 0.00 O ATOM 386 CB ILE A 111 4.749 3.492 -0.204 1.00 0.00 C ATOM 387 CG1 ILE A 111 5.711 2.350 -0.536 1.00 0.00 C ATOM 388 CG2 ILE A 111 4.245 3.368 1.227 1.00 0.00 C ATOM 389 CD1 ILE A 111 7.101 2.819 -0.904 1.00 0.00 C ATOM 0 H ILE A 111 3.348 1.422 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 111 2.894 4.318 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 111 5.288 4.435 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 111 5.777 1.681 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 111 5.301 1.769 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 111 5.093 3.364 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.595 4.212 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.686 2.439 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 111 7.729 1.956 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.047 3.465 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.530 3.374 -0.070 1.00 0.00 H new ATOM 401 N ASP A 112 3.316 3.288 -3.592 1.00 0.00 N ATOM 402 CA ASP A 112 3.707 3.430 -4.989 1.00 0.00 C ATOM 403 C ASP A 112 3.040 4.650 -5.618 1.00 0.00 C ATOM 404 O ASP A 112 3.679 5.417 -6.339 1.00 0.00 O ATOM 405 CB ASP A 112 3.340 2.171 -5.775 1.00 0.00 C ATOM 406 CG ASP A 112 3.669 2.292 -7.250 1.00 0.00 C ATOM 407 OD1 ASP A 112 2.803 2.769 -8.013 1.00 0.00 O ATOM 408 OD2 ASP A 112 4.791 1.910 -7.642 1.00 0.00 O ATOM 0 H ASP A 112 2.407 2.847 -3.452 1.00 0.00 H new ATOM 0 HA ASP A 112 4.788 3.569 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.872 1.317 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.275 1.971 -5.659 1.00 0.00 H new ATOM 413 N PHE A 113 1.752 4.822 -5.340 1.00 0.00 N ATOM 414 CA PHE A 113 0.997 5.947 -5.881 1.00 0.00 C ATOM 415 C PHE A 113 1.283 7.222 -5.093 1.00 0.00 C ATOM 416 O PHE A 113 1.194 8.329 -5.626 1.00 0.00 O ATOM 417 CB PHE A 113 -0.502 5.643 -5.854 1.00 0.00 C ATOM 418 CG PHE A 113 -1.235 6.132 -7.071 1.00 0.00 C ATOM 419 CD1 PHE A 113 -1.623 7.458 -7.175 1.00 0.00 C ATOM 420 CD2 PHE A 113 -1.535 5.266 -8.110 1.00 0.00 C ATOM 421 CE1 PHE A 113 -2.297 7.911 -8.292 1.00 0.00 C ATOM 422 CE2 PHE A 113 -2.210 5.713 -9.230 1.00 0.00 C ATOM 423 CZ PHE A 113 -2.591 7.037 -9.322 1.00 0.00 C ATOM 0 H PHE A 113 1.209 4.197 -4.744 1.00 0.00 H new ATOM 0 HA PHE A 113 1.311 6.100 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.645 4.566 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -0.941 6.100 -4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.396 8.145 -6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.238 4.230 -8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.594 8.947 -8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.439 5.027 -10.032 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.118 7.389 -10.197 1.00 0.00 H new ATOM 433 N LYS A 114 1.627 7.059 -3.819 1.00 0.00 N ATOM 434 CA LYS A 114 1.927 8.195 -2.956 1.00 0.00 C ATOM 435 C LYS A 114 3.283 8.799 -3.304 1.00 0.00 C ATOM 436 O LYS A 114 3.519 9.988 -3.085 1.00 0.00 O ATOM 437 CB LYS A 114 1.910 7.764 -1.488 1.00 0.00 C ATOM 438 CG LYS A 114 0.542 7.877 -0.837 1.00 0.00 C ATOM 439 CD LYS A 114 0.250 9.303 -0.398 1.00 0.00 C ATOM 440 CE LYS A 114 -0.980 9.370 0.494 1.00 0.00 C ATOM 441 NZ LYS A 114 -0.955 10.565 1.383 1.00 0.00 N ATOM 0 H LYS A 114 1.705 6.150 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 114 1.160 8.953 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.253 6.732 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.620 8.375 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.224 7.547 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.492 7.212 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.111 9.704 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.099 9.931 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.877 9.396 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.038 8.467 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.810 10.575 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.113 10.527 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.925 11.428 0.804 1.00 0.00 H new ATOM 455 N ARG A 115 4.172 7.974 -3.848 1.00 0.00 N ATOM 456 CA ARG A 115 5.505 8.428 -4.227 1.00 0.00 C ATOM 457 C ARG A 115 5.462 9.205 -5.539 1.00 0.00 C ATOM 458 O ARG A 115 6.127 10.230 -5.687 1.00 0.00 O ATOM 459 CB ARG A 115 6.454 7.236 -4.358 1.00 0.00 C ATOM 460 CG ARG A 115 7.891 7.558 -3.983 1.00 0.00 C ATOM 461 CD ARG A 115 8.772 7.698 -5.214 1.00 0.00 C ATOM 462 NE ARG A 115 9.338 6.418 -5.630 1.00 0.00 N ATOM 463 CZ ARG A 115 10.258 5.761 -4.932 1.00 0.00 C ATOM 464 NH1 ARG A 115 10.711 6.260 -3.791 1.00 0.00 N ATOM 465 NH2 ARG A 115 10.726 4.601 -5.375 1.00 0.00 N ATOM 0 H ARG A 115 3.993 6.988 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 115 5.872 9.092 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 115 6.095 6.425 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.428 6.873 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 115 7.919 8.483 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.285 6.771 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.188 8.119 -6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 115 9.579 8.400 -5.004 1.00 0.00 H new ATOM 0 HE ARG A 115 9.009 6.006 -6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 115 10.353 7.151 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 115 11.417 5.753 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 115 10.379 4.213 -6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 115 11.432 4.098 -4.838 1.00 0.00 H new ATOM 479 N ALA A 116 4.677 8.709 -6.489 1.00 0.00 N ATOM 480 CA ALA A 116 4.546 9.357 -7.788 1.00 0.00 C ATOM 481 C ALA A 116 3.789 10.675 -7.671 1.00 0.00 C ATOM 482 O ALA A 116 4.060 11.625 -8.405 1.00 0.00 O ATOM 483 CB ALA A 116 3.848 8.431 -8.772 1.00 0.00 C ATOM 0 H ALA A 116 4.122 7.860 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 116 5.547 9.575 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 116 3.757 8.928 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.431 7.517 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.855 8.183 -8.397 1.00 0.00 H new ATOM 489 N GLU A 117 2.838 10.726 -6.743 1.00 0.00 N ATOM 490 CA GLU A 117 2.041 11.928 -6.531 1.00 0.00 C ATOM 491 C GLU A 117 2.884 13.036 -5.906 1.00 0.00 C ATOM 492 O GLU A 117 2.596 14.222 -6.076 1.00 0.00 O ATOM 493 CB GLU A 117 0.839 11.620 -5.636 1.00 0.00 C ATOM 494 CG GLU A 117 -0.391 12.450 -5.961 1.00 0.00 C ATOM 495 CD GLU A 117 -1.638 11.944 -5.262 1.00 0.00 C ATOM 496 OE1 GLU A 117 -1.812 12.249 -4.064 1.00 0.00 O ATOM 497 OE2 GLU A 117 -2.440 11.244 -5.914 1.00 0.00 O ATOM 0 H GLU A 117 2.601 9.949 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 117 1.683 12.271 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 117 0.589 10.563 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.118 11.791 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.212 13.486 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -0.555 12.443 -7.039 1.00 0.00 H new ATOM 504 N LEU A 118 3.924 12.642 -5.182 1.00 0.00 N ATOM 505 CA LEU A 118 4.810 13.601 -4.529 1.00 0.00 C ATOM 506 C LEU A 118 5.713 14.289 -5.548 1.00 0.00 C ATOM 507 O LEU A 118 6.055 15.461 -5.398 1.00 0.00 O ATOM 508 CB LEU A 118 5.660 12.900 -3.467 1.00 0.00 C ATOM 509 CG LEU A 118 5.799 13.630 -2.131 1.00 0.00 C ATOM 510 CD1 LEU A 118 4.499 13.559 -1.346 1.00 0.00 C ATOM 511 CD2 LEU A 118 6.945 13.043 -1.321 1.00 0.00 C ATOM 0 H LEU A 118 4.176 11.665 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 118 4.193 14.360 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.231 11.916 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 118 6.657 12.739 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 118 6.021 14.678 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.617 14.084 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.700 14.026 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.246 12.516 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.030 13.574 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.752 11.987 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.875 13.146 -1.879 1.00 0.00 H new ATOM 523 N ALA A 119 6.095 13.551 -6.585 1.00 0.00 N ATOM 524 CA ALA A 119 6.955 14.090 -7.631 1.00 0.00 C ATOM 525 C ALA A 119 6.218 15.133 -8.464 1.00 0.00 C ATOM 526 O ALA A 119 6.803 16.133 -8.884 1.00 0.00 O ATOM 527 CB ALA A 119 7.471 12.969 -8.521 1.00 0.00 C ATOM 0 H ALA A 119 5.822 12.578 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 119 7.804 14.579 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.112 13.387 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.043 12.261 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.629 12.455 -8.984 1.00 0.00 H new ATOM 533 N LEU A 120 4.933 14.894 -8.700 1.00 0.00 N ATOM 534 CA LEU A 120 4.116 15.813 -9.484 1.00 0.00 C ATOM 535 C LEU A 120 4.219 17.234 -8.940 1.00 0.00 C ATOM 536 O LEU A 120 4.581 18.163 -9.662 1.00 0.00 O ATOM 537 CB LEU A 120 2.656 15.358 -9.480 1.00 0.00 C ATOM 538 CG LEU A 120 1.675 16.243 -10.251 1.00 0.00 C ATOM 539 CD1 LEU A 120 1.619 15.830 -11.713 1.00 0.00 C ATOM 540 CD2 LEU A 120 0.290 16.177 -9.623 1.00 0.00 C ATOM 0 H LEU A 120 4.434 14.072 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 120 4.489 15.808 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.609 14.351 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.319 15.293 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 120 2.027 17.273 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.916 16.471 -12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.609 15.930 -12.157 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.291 14.793 -11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.395 16.813 -10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.070 15.148 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.342 16.523 -8.591 1.00 0.00 H new ATOM 552 N LYS A 121 3.901 17.396 -7.660 1.00 0.00 N ATOM 553 CA LYS A 121 3.960 18.703 -7.016 1.00 0.00 C ATOM 554 C LYS A 121 5.384 19.028 -6.575 1.00 0.00 C ATOM 555 O LYS A 121 6.132 18.143 -6.157 1.00 0.00 O ATOM 556 CB LYS A 121 3.020 18.743 -5.809 1.00 0.00 C ATOM 557 CG LYS A 121 3.345 17.703 -4.751 1.00 0.00 C ATOM 558 CD LYS A 121 2.665 18.021 -3.429 1.00 0.00 C ATOM 559 CE LYS A 121 1.187 17.668 -3.463 1.00 0.00 C ATOM 560 NZ LYS A 121 0.491 18.068 -2.209 1.00 0.00 N ATOM 0 H LYS A 121 3.600 16.638 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 121 3.642 19.452 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.064 19.734 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 121 1.996 18.593 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.028 16.719 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.424 17.657 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.153 17.469 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.782 19.081 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.716 18.161 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.074 16.595 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.514 17.810 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.924 17.578 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.577 19.096 -2.077 1.00 0.00 H new ATOM 574 N ARG A 122 5.752 20.301 -6.671 1.00 0.00 N ATOM 575 CA ARG A 122 7.086 20.742 -6.281 1.00 0.00 C ATOM 576 C ARG A 122 7.012 21.776 -5.162 1.00 0.00 C ATOM 577 O ARG A 122 7.993 22.459 -4.869 1.00 0.00 O ATOM 578 CB ARG A 122 7.823 21.331 -7.486 1.00 0.00 C ATOM 579 CG ARG A 122 7.094 22.496 -8.136 1.00 0.00 C ATOM 580 CD ARG A 122 7.549 22.706 -9.572 1.00 0.00 C ATOM 581 NE ARG A 122 7.331 21.519 -10.394 1.00 0.00 N ATOM 582 CZ ARG A 122 6.150 21.185 -10.903 1.00 0.00 C ATOM 583 NH1 ARG A 122 5.088 21.943 -10.674 1.00 0.00 N ATOM 584 NH2 ARG A 122 6.031 20.089 -11.642 1.00 0.00 N ATOM 0 H ARG A 122 5.145 21.045 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 122 7.636 19.875 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.812 21.663 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.972 20.547 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.020 22.311 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.271 23.404 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.010 23.550 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.608 22.965 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 122 8.129 20.913 -10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.176 22.785 -10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.183 21.684 -11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.846 19.503 -11.819 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.124 19.833 -12.032 1.00 0.00 H new ATOM 598 N ALA A 123 5.843 21.884 -4.540 1.00 0.00 N ATOM 599 CA ALA A 123 5.641 22.833 -3.451 1.00 0.00 C ATOM 600 C ALA A 123 6.252 22.317 -2.153 1.00 0.00 C ATOM 601 O ALA A 123 6.968 23.042 -1.462 1.00 0.00 O ATOM 602 CB ALA A 123 4.157 23.113 -3.264 1.00 0.00 C ATOM 0 H ALA A 123 5.021 21.326 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 123 6.145 23.763 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.021 23.823 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 123 3.747 23.533 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.638 22.184 -3.027 1.00 0.00 H new ATOM 608 N MET A 124 5.966 21.061 -1.827 1.00 0.00 N ATOM 609 CA MET A 124 6.488 20.449 -0.612 1.00 0.00 C ATOM 610 C MET A 124 8.012 20.499 -0.590 1.00 0.00 C ATOM 611 O MET A 124 8.618 20.794 0.440 1.00 0.00 O ATOM 612 CB MET A 124 6.013 18.999 -0.501 1.00 0.00 C ATOM 613 CG MET A 124 6.184 18.409 0.890 1.00 0.00 C ATOM 614 SD MET A 124 4.964 17.133 1.258 1.00 0.00 S ATOM 615 CE MET A 124 4.220 17.794 2.747 1.00 0.00 C ATOM 0 H MET A 124 5.375 20.447 -2.388 1.00 0.00 H new ATOM 0 HA MET A 124 6.111 21.014 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.961 18.947 -0.782 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.565 18.389 -1.216 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.185 17.986 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.106 19.205 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.443 17.115 3.098 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.983 17.902 3.518 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.780 18.768 2.533 1.00 0.00 H new ATOM 625 N ASN A 125 8.626 20.210 -1.733 1.00 0.00 N ATOM 626 CA ASN A 125 10.081 20.222 -1.843 1.00 0.00 C ATOM 627 C ASN A 125 10.639 21.604 -1.518 1.00 0.00 C ATOM 628 O ASN A 125 11.591 21.734 -0.748 1.00 0.00 O ATOM 629 CB ASN A 125 10.509 19.806 -3.252 1.00 0.00 C ATOM 630 CG ASN A 125 10.025 18.415 -3.616 1.00 0.00 C ATOM 631 OD1 ASN A 125 9.126 18.254 -4.440 1.00 0.00 O ATOM 632 ND2 ASN A 125 10.623 17.401 -3.000 1.00 0.00 N ATOM 0 H ASN A 125 8.140 19.965 -2.595 1.00 0.00 H new ATOM 0 HA ASN A 125 10.482 19.509 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.120 20.524 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 125 11.596 19.840 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.341 16.442 -3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.365 17.581 -2.323 1.00 0.00 H new ATOM 639 N ARG A 126 10.041 22.633 -2.109 1.00 0.00 N ATOM 640 CA ARG A 126 10.479 24.005 -1.882 1.00 0.00 C ATOM 641 C ARG A 126 10.293 24.400 -0.421 1.00 0.00 C ATOM 642 O ARG A 126 11.241 24.818 0.246 1.00 0.00 O ATOM 643 CB ARG A 126 9.703 24.966 -2.784 1.00 0.00 C ATOM 644 CG ARG A 126 10.185 26.405 -2.699 1.00 0.00 C ATOM 645 CD ARG A 126 9.435 27.303 -3.668 1.00 0.00 C ATOM 646 NE ARG A 126 10.277 28.379 -4.183 1.00 0.00 N ATOM 647 CZ ARG A 126 11.305 28.181 -5.001 1.00 0.00 C ATOM 648 NH1 ARG A 126 11.616 26.953 -5.395 1.00 0.00 N ATOM 649 NH2 ARG A 126 12.025 29.211 -5.426 1.00 0.00 N ATOM 0 H ARG A 126 9.252 22.543 -2.749 1.00 0.00 H new ATOM 0 HA ARG A 126 11.540 24.066 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.782 24.626 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.647 24.929 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.052 26.775 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.252 26.445 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.061 26.706 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.567 27.731 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 126 10.064 29.335 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.065 26.158 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.406 26.804 -6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.790 30.157 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.814 29.057 -6.054 1.00 0.00 H new ATOM 663 N LEU A 127 9.067 24.266 0.072 1.00 0.00 N ATOM 664 CA LEU A 127 8.757 24.610 1.456 1.00 0.00 C ATOM 665 C LEU A 127 8.991 23.419 2.378 1.00 0.00 C ATOM 666 O LEU A 127 9.265 23.585 3.567 1.00 0.00 O ATOM 667 CB LEU A 127 7.306 25.081 1.571 1.00 0.00 C ATOM 668 CG LEU A 127 7.087 26.406 2.302 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.527 26.295 3.753 1.00 0.00 C ATOM 670 CD2 LEU A 127 7.834 27.532 1.602 1.00 0.00 C ATOM 0 H LEU A 127 8.271 23.922 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 127 9.421 25.418 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.893 25.171 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.733 24.308 2.083 1.00 0.00 H new ATOM 0 HG LEU A 127 6.022 26.636 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.363 27.248 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.947 25.517 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.586 26.040 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.666 28.467 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.901 27.308 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.471 27.629 0.579 1.00 0.00 H new TER 682 LEU A 127