USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ 180:sc= 0.457 (180deg=0.457) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.749) USER MOD Single : A 2 SER OG : rot 20:sc= 0.673 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= 0.684 (180deg=-0.0435) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0281) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0741) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 140:sc= -11.1! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00961) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.256 (180deg=-0.884) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.134) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.450 -4.224 6.938 1.00 0.00 N ATOM 11 CA SER A 2 -16.640 -3.748 5.573 1.00 0.00 C ATOM 12 C SER A 2 -15.714 -2.574 5.272 1.00 0.00 C ATOM 13 O SER A 2 -15.146 -2.482 4.183 1.00 0.00 O ATOM 14 CB SER A 2 -18.096 -3.332 5.354 1.00 0.00 C ATOM 15 OG SER A 2 -18.961 -4.022 6.239 1.00 0.00 O ATOM 0 HA SER A 2 -16.396 -4.564 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.197 -2.257 5.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.385 -3.537 4.323 1.00 0.00 H new ATOM 0 HG SER A 2 -18.446 -4.364 6.999 1.00 0.00 H new ATOM 21 N ARG A 3 -15.567 -1.679 6.243 1.00 0.00 N ATOM 22 CA ARG A 3 -14.711 -0.509 6.081 1.00 0.00 C ATOM 23 C ARG A 3 -13.241 -0.912 6.031 1.00 0.00 C ATOM 24 O ARG A 3 -12.457 -0.340 5.273 1.00 0.00 O ATOM 25 CB ARG A 3 -14.943 0.482 7.224 1.00 0.00 C ATOM 26 CG ARG A 3 -14.580 -0.070 8.592 1.00 0.00 C ATOM 27 CD ARG A 3 -13.166 0.320 8.994 1.00 0.00 C ATOM 28 NE ARG A 3 -12.994 1.771 9.047 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.522 2.546 9.991 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.254 2.014 10.963 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.315 3.855 9.965 1.00 0.00 N ATOM 0 H ARG A 3 -16.029 -1.741 7.150 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.969 -0.030 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.357 1.382 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.992 0.780 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.286 0.302 9.334 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.670 -1.156 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.935 -0.109 9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.457 -0.104 8.283 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.437 2.215 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.414 1.007 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.656 2.612 11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.751 4.268 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.719 4.450 10.688 1.00 0.00 H new ATOM 45 N VAL A 4 -12.872 -1.897 6.842 1.00 0.00 N ATOM 46 CA VAL A 4 -11.495 -2.374 6.887 1.00 0.00 C ATOM 47 C VAL A 4 -11.147 -3.160 5.629 1.00 0.00 C ATOM 48 O VAL A 4 -10.085 -2.965 5.037 1.00 0.00 O ATOM 49 CB VAL A 4 -11.248 -3.264 8.120 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.777 -3.636 8.226 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.721 -2.567 9.386 1.00 0.00 C ATOM 0 H VAL A 4 -13.507 -2.381 7.477 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.856 -1.493 6.952 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.823 -4.182 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.623 -4.265 9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.474 -4.180 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.178 -2.730 8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.538 -3.211 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.176 -1.631 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.788 -2.358 9.309 1.00 0.00 H new ATOM 61 N LYS A 5 -12.049 -4.048 5.220 1.00 0.00 N ATOM 62 CA LYS A 5 -11.830 -4.858 4.028 1.00 0.00 C ATOM 63 C LYS A 5 -11.701 -3.970 2.796 1.00 0.00 C ATOM 64 O LYS A 5 -10.819 -4.171 1.966 1.00 0.00 O ATOM 65 CB LYS A 5 -12.973 -5.860 3.837 1.00 0.00 C ATOM 66 CG LYS A 5 -12.940 -6.578 2.496 1.00 0.00 C ATOM 67 CD LYS A 5 -11.565 -7.161 2.208 1.00 0.00 C ATOM 68 CE LYS A 5 -11.661 -8.436 1.387 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.725 -9.649 2.247 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.934 -4.224 5.695 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.901 -5.412 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.933 -6.600 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.924 -5.336 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.683 -7.376 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.214 -5.882 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.962 -6.427 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.053 -7.370 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.547 -8.393 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.798 -8.506 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.790 -10.496 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.868 -9.704 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.562 -9.595 2.862 1.00 0.00 H new ATOM 83 N ALA A 6 -12.581 -2.981 2.690 1.00 0.00 N ATOM 84 CA ALA A 6 -12.556 -2.057 1.564 1.00 0.00 C ATOM 85 C ALA A 6 -11.195 -1.381 1.466 1.00 0.00 C ATOM 86 O ALA A 6 -10.692 -1.118 0.374 1.00 0.00 O ATOM 87 CB ALA A 6 -13.659 -1.022 1.705 1.00 0.00 C ATOM 0 H ALA A 6 -13.320 -2.799 3.370 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.728 -2.619 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.627 -0.339 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.627 -1.523 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.515 -0.461 2.628 1.00 0.00 H new ATOM 93 N LEU A 7 -10.605 -1.111 2.625 1.00 0.00 N ATOM 94 CA LEU A 7 -9.297 -0.475 2.699 1.00 0.00 C ATOM 95 C LEU A 7 -8.249 -1.312 1.974 1.00 0.00 C ATOM 96 O LEU A 7 -7.391 -0.782 1.270 1.00 0.00 O ATOM 97 CB LEU A 7 -8.898 -0.307 4.165 1.00 0.00 C ATOM 98 CG LEU A 7 -8.210 1.011 4.510 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.836 1.083 3.863 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.070 2.191 4.078 1.00 0.00 C ATOM 0 H LEU A 7 -11.017 -1.325 3.533 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.353 0.501 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.793 -0.402 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.234 -1.127 4.439 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.081 1.059 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.362 2.030 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.220 0.259 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.940 1.012 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.564 3.122 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.232 2.148 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.031 2.148 4.592 1.00 0.00 H new ATOM 112 N GLU A 8 -8.328 -2.622 2.161 1.00 0.00 N ATOM 113 CA GLU A 8 -7.391 -3.551 1.538 1.00 0.00 C ATOM 114 C GLU A 8 -7.521 -3.539 0.013 1.00 0.00 C ATOM 115 O GLU A 8 -6.546 -3.766 -0.702 1.00 0.00 O ATOM 116 CB GLU A 8 -7.613 -4.969 2.088 1.00 0.00 C ATOM 117 CG GLU A 8 -8.540 -5.837 1.246 1.00 0.00 C ATOM 118 CD GLU A 8 -7.818 -6.524 0.103 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.782 -7.172 0.360 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.287 -6.411 -1.049 1.00 0.00 O ATOM 0 H GLU A 8 -9.036 -3.069 2.743 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.379 -3.228 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.647 -5.467 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.022 -4.894 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.004 -6.590 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.344 -5.220 0.844 1.00 0.00 H new ATOM 127 N GLU A 9 -8.733 -3.296 -0.474 1.00 0.00 N ATOM 128 CA GLU A 9 -8.999 -3.277 -1.911 1.00 0.00 C ATOM 129 C GLU A 9 -8.305 -2.110 -2.613 1.00 0.00 C ATOM 130 O GLU A 9 -7.834 -2.252 -3.741 1.00 0.00 O ATOM 131 CB GLU A 9 -10.505 -3.210 -2.164 1.00 0.00 C ATOM 132 CG GLU A 9 -11.182 -4.572 -2.179 1.00 0.00 C ATOM 133 CD GLU A 9 -10.832 -5.382 -3.412 1.00 0.00 C ATOM 134 OE1 GLU A 9 -9.656 -5.779 -3.548 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -11.735 -5.620 -4.242 1.00 0.00 O ATOM 0 H GLU A 9 -9.551 -3.109 0.106 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.594 -4.199 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.967 -2.593 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.683 -2.715 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.891 -5.129 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.263 -4.437 -2.132 1.00 0.00 H new ATOM 142 N LYS A 10 -8.265 -0.955 -1.957 1.00 0.00 N ATOM 143 CA LYS A 10 -7.647 0.235 -2.540 1.00 0.00 C ATOM 144 C LYS A 10 -6.123 0.121 -2.584 1.00 0.00 C ATOM 145 O LYS A 10 -5.482 0.616 -3.510 1.00 0.00 O ATOM 146 CB LYS A 10 -8.055 1.483 -1.751 1.00 0.00 C ATOM 147 CG LYS A 10 -7.653 1.441 -0.285 1.00 0.00 C ATOM 148 CD LYS A 10 -7.480 2.841 0.283 1.00 0.00 C ATOM 149 CE LYS A 10 -8.823 3.509 0.533 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.694 4.699 1.418 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.652 -0.816 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.004 0.320 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.604 2.359 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.136 1.607 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.411 0.906 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.721 0.885 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.918 2.790 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.894 3.446 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.262 3.810 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.507 2.791 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.354 5.439 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.918 4.429 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.720 5.061 1.373 1.00 0.00 H new ATOM 164 N VAL A 11 -5.553 -0.525 -1.575 1.00 0.00 N ATOM 165 CA VAL A 11 -4.106 -0.697 -1.488 1.00 0.00 C ATOM 166 C VAL A 11 -3.573 -1.572 -2.623 1.00 0.00 C ATOM 167 O VAL A 11 -2.498 -1.317 -3.165 1.00 0.00 O ATOM 168 CB VAL A 11 -3.715 -1.327 -0.134 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.207 -1.498 -0.017 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.250 -0.486 1.015 1.00 0.00 C ATOM 0 H VAL A 11 -6.072 -0.941 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.659 0.293 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.165 -2.318 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.965 -1.944 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.851 -2.148 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.723 -0.525 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.966 -0.943 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.831 0.519 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.337 -0.430 0.950 1.00 0.00 H new ATOM 180 N LYS A 12 -4.331 -2.604 -2.965 1.00 0.00 N ATOM 181 CA LYS A 12 -3.946 -3.531 -4.024 1.00 0.00 C ATOM 182 C LYS A 12 -4.013 -2.873 -5.391 1.00 0.00 C ATOM 183 O LYS A 12 -3.175 -3.127 -6.254 1.00 0.00 O ATOM 184 CB LYS A 12 -4.830 -4.774 -4.002 1.00 0.00 C ATOM 185 CG LYS A 12 -4.174 -5.989 -4.636 1.00 0.00 C ATOM 186 CD LYS A 12 -4.750 -7.279 -4.081 1.00 0.00 C ATOM 187 CE LYS A 12 -4.098 -8.499 -4.713 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.727 -8.733 -4.182 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.223 -2.823 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.913 -3.826 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.091 -5.008 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.762 -4.558 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.316 -5.960 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.099 -5.961 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.607 -7.307 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.825 -7.306 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.715 -9.378 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.051 -8.367 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.317 -9.573 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.131 -7.905 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.774 -8.885 -3.154 1.00 0.00 H new ATOM 202 N ALA A 13 -5.016 -2.027 -5.587 1.00 0.00 N ATOM 203 CA ALA A 13 -5.180 -1.342 -6.859 1.00 0.00 C ATOM 204 C ALA A 13 -3.915 -0.571 -7.191 1.00 0.00 C ATOM 205 O ALA A 13 -3.496 -0.508 -8.348 1.00 0.00 O ATOM 206 CB ALA A 13 -6.381 -0.409 -6.812 1.00 0.00 C ATOM 0 H ALA A 13 -5.722 -1.801 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.358 -2.081 -7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.488 0.095 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.282 -0.986 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.235 0.333 -6.027 1.00 0.00 H new ATOM 212 N LEU A 14 -3.288 -0.015 -6.160 1.00 0.00 N ATOM 213 CA LEU A 14 -2.041 0.717 -6.344 1.00 0.00 C ATOM 214 C LEU A 14 -0.915 -0.253 -6.681 1.00 0.00 C ATOM 215 O LEU A 14 0.028 0.087 -7.387 1.00 0.00 O ATOM 216 CB LEU A 14 -1.683 1.525 -5.100 1.00 0.00 C ATOM 217 CG LEU A 14 -0.810 2.753 -5.371 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.132 3.872 -4.390 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.668 2.384 -5.309 1.00 0.00 C ATOM 0 H LEU A 14 -3.619 -0.057 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.176 1.415 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.604 1.849 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.164 0.874 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.029 3.114 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.500 4.734 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.179 4.156 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.948 3.528 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.273 3.270 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.904 1.994 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.885 1.624 -6.060 1.00 0.00 H new ATOM 231 N GLU A 15 -1.028 -1.466 -6.155 1.00 0.00 N ATOM 232 CA GLU A 15 -0.033 -2.507 -6.378 1.00 0.00 C ATOM 233 C GLU A 15 0.194 -2.759 -7.867 1.00 0.00 C ATOM 234 O GLU A 15 1.316 -2.998 -8.303 1.00 0.00 O ATOM 235 CB GLU A 15 -0.490 -3.800 -5.704 1.00 0.00 C ATOM 236 CG GLU A 15 0.618 -4.819 -5.546 1.00 0.00 C ATOM 237 CD GLU A 15 0.172 -6.227 -5.890 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.729 -6.750 -5.202 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.723 -6.806 -6.850 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.808 -1.755 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 15 0.910 -2.171 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.899 -3.564 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.298 -4.240 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.455 -4.541 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.981 -4.798 -4.519 1.00 0.00 H new ATOM 246 N GLU A 16 -0.888 -2.718 -8.630 1.00 0.00 N ATOM 247 CA GLU A 16 -0.847 -2.953 -10.072 1.00 0.00 C ATOM 248 C GLU A 16 -0.077 -1.861 -10.802 1.00 0.00 C ATOM 249 O GLU A 16 0.603 -2.129 -11.789 1.00 0.00 O ATOM 250 CB GLU A 16 -2.267 -3.048 -10.632 1.00 0.00 C ATOM 251 CG GLU A 16 -3.172 -3.978 -9.841 1.00 0.00 C ATOM 252 CD GLU A 16 -3.985 -4.898 -10.730 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.978 -4.424 -11.323 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -3.630 -6.090 -10.834 1.00 0.00 O ATOM 0 H GLU A 16 -1.822 -2.521 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.326 -3.896 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.709 -2.052 -10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.219 -3.393 -11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.566 -4.578 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.847 -3.384 -9.225 1.00 0.00 H new ATOM 261 N LYS A 17 -0.192 -0.631 -10.320 1.00 0.00 N ATOM 262 CA LYS A 17 0.496 0.492 -10.941 1.00 0.00 C ATOM 263 C LYS A 17 2.008 0.372 -10.755 1.00 0.00 C ATOM 264 O LYS A 17 2.784 0.840 -11.587 1.00 0.00 O ATOM 265 CB LYS A 17 -0.020 1.828 -10.384 1.00 0.00 C ATOM 266 CG LYS A 17 0.447 2.151 -8.973 1.00 0.00 C ATOM 267 CD LYS A 17 0.975 3.572 -8.865 1.00 0.00 C ATOM 268 CE LYS A 17 -0.051 4.593 -9.339 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.499 5.483 -8.233 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.753 -0.386 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 17 0.283 0.469 -12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.297 2.631 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.110 1.815 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.381 2.017 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.228 1.450 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.246 3.782 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.885 3.668 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.379 5.196 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.912 4.074 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.479 5.786 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.451 4.967 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.119 6.318 -8.187 1.00 0.00 H new ATOM 283 N VAL A 18 2.417 -0.250 -9.652 1.00 0.00 N ATOM 284 CA VAL A 18 3.839 -0.419 -9.350 1.00 0.00 C ATOM 285 C VAL A 18 4.507 -1.416 -10.298 1.00 0.00 C ATOM 286 O VAL A 18 5.590 -1.152 -10.822 1.00 0.00 O ATOM 287 CB VAL A 18 4.048 -0.893 -7.898 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.528 -0.915 -7.547 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.278 -0.007 -6.930 1.00 0.00 C ATOM 0 H VAL A 18 1.787 -0.645 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 18 4.302 0.559 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 18 3.663 -1.909 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.653 -1.252 -6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.051 -1.596 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.942 0.088 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.438 -0.357 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.629 1.021 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.215 -0.049 -7.165 1.00 0.00 H new ATOM 299 N LYS A 19 3.860 -2.556 -10.518 1.00 0.00 N ATOM 300 CA LYS A 19 4.400 -3.581 -11.405 1.00 0.00 C ATOM 301 C LYS A 19 4.402 -3.095 -12.851 1.00 0.00 C ATOM 302 O LYS A 19 5.168 -3.582 -13.682 1.00 0.00 O ATOM 303 CB LYS A 19 3.587 -4.873 -11.286 1.00 0.00 C ATOM 304 CG LYS A 19 2.169 -4.755 -11.826 1.00 0.00 C ATOM 305 CD LYS A 19 1.897 -5.782 -12.914 1.00 0.00 C ATOM 306 CE LYS A 19 2.216 -5.229 -14.295 1.00 0.00 C ATOM 307 NZ LYS A 19 1.274 -5.739 -15.330 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.963 -2.793 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 19 5.428 -3.784 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.105 -5.669 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.544 -5.170 -10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.457 -4.889 -11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.013 -3.752 -12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.495 -6.674 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.851 -6.086 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.172 -4.140 -14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.236 -5.500 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.526 -5.338 -16.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.334 -6.776 -15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.303 -5.459 -15.084 1.00 0.00 H new ATOM 321 N ALA A 20 3.540 -2.126 -13.138 1.00 0.00 N ATOM 322 CA ALA A 20 3.435 -1.557 -14.472 1.00 0.00 C ATOM 323 C ALA A 20 4.473 -0.457 -14.682 1.00 0.00 C ATOM 324 O ALA A 20 4.681 0.009 -15.802 1.00 0.00 O ATOM 325 CB ALA A 20 2.030 -1.020 -14.695 1.00 0.00 C ATOM 0 H ALA A 20 2.900 -1.717 -12.457 1.00 0.00 H new ATOM 0 HA ALA A 20 3.633 -2.343 -15.201 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.958 -0.595 -15.696 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.310 -1.832 -14.592 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.814 -0.248 -13.957 1.00 0.00 H new ATOM 331 N LEU A 21 5.124 -0.046 -13.594 1.00 0.00 N ATOM 332 CA LEU A 21 6.139 0.996 -13.652 1.00 0.00 C ATOM 333 C LEU A 21 7.389 0.496 -14.371 1.00 0.00 C ATOM 334 O LEU A 21 8.059 1.253 -15.073 1.00 0.00 O ATOM 335 CB LEU A 21 6.501 1.453 -12.235 1.00 0.00 C ATOM 336 CG LEU A 21 6.656 2.965 -12.049 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.476 3.264 -10.802 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.299 3.603 -13.273 1.00 0.00 C ATOM 0 H LEU A 21 4.963 -0.423 -12.660 1.00 0.00 H new ATOM 0 HA LEU A 21 5.734 1.840 -14.211 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.732 1.097 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.434 0.971 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 21 5.662 3.395 -11.926 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.577 4.343 -10.683 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.974 2.848 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.464 2.815 -10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.397 4.677 -13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.285 3.168 -13.434 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.675 3.421 -14.148 1.00 0.00 H new ATOM 350 N GLY A 22 7.695 -0.785 -14.191 1.00 0.00 N ATOM 351 CA GLY A 22 8.862 -1.366 -14.828 1.00 0.00 C ATOM 352 C GLY A 22 9.317 -2.642 -14.150 1.00 0.00 C ATOM 353 O GLY A 22 8.945 -3.740 -14.564 1.00 0.00 O ATOM 0 H GLY A 22 7.155 -1.431 -13.615 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.635 -1.575 -15.874 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.677 -0.642 -14.817 1.00 0.00 H new ATOM 357 N GLY A 23 10.125 -2.499 -13.104 1.00 0.00 N ATOM 358 CA GLY A 23 10.617 -3.658 -12.383 1.00 0.00 C ATOM 359 C GLY A 23 12.067 -3.964 -12.699 1.00 0.00 C ATOM 360 O GLY A 23 12.391 -5.053 -13.171 1.00 0.00 O ATOM 0 H GLY A 23 10.448 -1.601 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.510 -3.488 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.004 -4.524 -12.631 1.00 0.00 H new ATOM 364 N GLY A 24 12.944 -2.999 -12.437 1.00 0.00 N ATOM 365 CA GLY A 24 14.358 -3.191 -12.703 1.00 0.00 C ATOM 366 C GLY A 24 15.228 -2.803 -11.524 1.00 0.00 C ATOM 367 O GLY A 24 16.391 -2.439 -11.697 1.00 0.00 O ATOM 0 H GLY A 24 12.701 -2.089 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.538 -4.236 -12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.645 -2.599 -13.572 1.00 0.00 H new ATOM 371 N GLY A 25 14.664 -2.881 -10.323 1.00 0.00 N ATOM 372 CA GLY A 25 15.411 -2.532 -9.129 1.00 0.00 C ATOM 373 C GLY A 25 14.635 -1.617 -8.204 1.00 0.00 C ATOM 374 O GLY A 25 14.116 -2.056 -7.178 1.00 0.00 O ATOM 0 H GLY A 25 13.703 -3.180 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.679 -3.443 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.343 -2.046 -9.417 1.00 0.00 H new ATOM 378 N ARG A 26 14.559 -0.340 -8.565 1.00 0.00 N ATOM 379 CA ARG A 26 13.843 0.640 -7.755 1.00 0.00 C ATOM 380 C ARG A 26 12.369 0.270 -7.624 1.00 0.00 C ATOM 381 O ARG A 26 11.816 0.275 -6.528 1.00 0.00 O ATOM 382 CB ARG A 26 13.980 2.040 -8.364 1.00 0.00 C ATOM 383 CG ARG A 26 13.583 2.115 -9.831 1.00 0.00 C ATOM 384 CD ARG A 26 13.687 3.534 -10.368 1.00 0.00 C ATOM 385 NE ARG A 26 15.036 4.077 -10.231 1.00 0.00 N ATOM 386 CZ ARG A 26 15.486 5.123 -10.921 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.699 5.740 -11.793 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.727 5.553 -10.738 1.00 0.00 N ATOM 0 H ARG A 26 14.983 0.040 -9.411 1.00 0.00 H new ATOM 0 HA ARG A 26 14.287 0.641 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.363 2.735 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.013 2.372 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.225 1.456 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.561 1.754 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.397 3.545 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.983 4.175 -9.836 1.00 0.00 H new ATOM 0 HE ARG A 26 15.670 3.629 -9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.744 5.414 -11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.049 6.541 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.336 5.082 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.072 6.354 -11.266 1.00 0.00 H new ATOM 402 N ILE A 27 11.740 -0.040 -8.752 1.00 0.00 N ATOM 403 CA ILE A 27 10.329 -0.406 -8.776 1.00 0.00 C ATOM 404 C ILE A 27 10.071 -1.743 -8.083 1.00 0.00 C ATOM 405 O ILE A 27 9.025 -1.936 -7.470 1.00 0.00 O ATOM 406 CB ILE A 27 9.797 -0.484 -10.220 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.216 0.758 -11.010 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.283 -0.635 -10.219 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.420 0.532 -11.899 1.00 0.00 C ATOM 0 H ILE A 27 12.189 -0.045 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 27 9.802 0.378 -8.233 1.00 0.00 H new ATOM 0 HB ILE A 27 10.229 -1.360 -10.704 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.378 1.088 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.437 1.565 -10.312 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.922 -0.689 -11.246 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.009 -1.548 -9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.832 0.223 -9.720 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.660 1.454 -12.428 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.272 0.232 -11.289 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.197 -0.253 -12.621 1.00 0.00 H new ATOM 421 N GLU A 28 11.016 -2.670 -8.206 1.00 0.00 N ATOM 422 CA GLU A 28 10.875 -3.999 -7.611 1.00 0.00 C ATOM 423 C GLU A 28 10.789 -3.942 -6.085 1.00 0.00 C ATOM 424 O GLU A 28 9.935 -4.589 -5.481 1.00 0.00 O ATOM 425 CB GLU A 28 12.050 -4.887 -8.027 1.00 0.00 C ATOM 426 CG GLU A 28 12.048 -5.245 -9.504 1.00 0.00 C ATOM 427 CD GLU A 28 11.041 -6.327 -9.841 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.401 -7.521 -9.755 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 9.893 -5.982 -10.190 1.00 0.00 O ATOM 0 H GLU A 28 11.890 -2.527 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 28 9.941 -4.422 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.983 -4.377 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.027 -5.805 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.827 -4.353 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.044 -5.578 -9.795 1.00 0.00 H new ATOM 436 N GLU A 29 11.684 -3.183 -5.468 1.00 0.00 N ATOM 437 CA GLU A 29 11.719 -3.057 -4.012 1.00 0.00 C ATOM 438 C GLU A 29 10.468 -2.369 -3.469 1.00 0.00 C ATOM 439 O GLU A 29 9.965 -2.722 -2.402 1.00 0.00 O ATOM 440 CB GLU A 29 12.965 -2.278 -3.582 1.00 0.00 C ATOM 441 CG GLU A 29 13.097 -0.921 -4.252 1.00 0.00 C ATOM 442 CD GLU A 29 14.132 -0.038 -3.583 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.025 0.176 -2.358 1.00 0.00 O ATOM 444 OE2 GLU A 29 15.049 0.438 -4.284 1.00 0.00 O1- ATOM 0 H GLU A 29 12.400 -2.642 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 29 11.753 -4.064 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.941 -2.139 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.850 -2.873 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.367 -1.062 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.131 -0.417 -4.237 1.00 0.00 H new ATOM 451 N LEU A 30 9.994 -1.366 -4.195 1.00 0.00 N ATOM 452 CA LEU A 30 8.829 -0.590 -3.790 1.00 0.00 C ATOM 453 C LEU A 30 7.584 -1.459 -3.594 1.00 0.00 C ATOM 454 O LEU A 30 6.872 -1.318 -2.599 1.00 0.00 O ATOM 455 CB LEU A 30 8.554 0.471 -4.855 1.00 0.00 C ATOM 456 CG LEU A 30 8.237 1.869 -4.328 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.508 2.562 -3.863 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.543 2.688 -5.405 1.00 0.00 C ATOM 0 H LEU A 30 10.405 -1.067 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 30 9.049 -0.129 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.423 0.537 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.718 0.136 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 30 7.566 1.779 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.264 3.557 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.970 1.979 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.202 2.647 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.321 3.683 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.195 2.773 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.614 2.196 -5.695 1.00 0.00 H new ATOM 470 N LYS A 31 7.318 -2.345 -4.546 1.00 0.00 N ATOM 471 CA LYS A 31 6.147 -3.220 -4.471 1.00 0.00 C ATOM 472 C LYS A 31 6.251 -4.216 -3.321 1.00 0.00 C ATOM 473 O LYS A 31 5.243 -4.575 -2.718 1.00 0.00 O ATOM 474 CB LYS A 31 5.891 -3.963 -5.792 1.00 0.00 C ATOM 475 CG LYS A 31 7.056 -3.955 -6.769 1.00 0.00 C ATOM 476 CD LYS A 31 6.880 -5.005 -7.856 1.00 0.00 C ATOM 477 CE LYS A 31 7.759 -6.221 -7.608 1.00 0.00 C ATOM 478 NZ LYS A 31 6.961 -7.411 -7.202 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.893 -2.479 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 31 5.296 -2.566 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.633 -4.998 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.024 -3.518 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.143 -2.969 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.985 -4.140 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.835 -5.313 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.124 -4.570 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.321 -6.453 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.487 -5.990 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.597 -8.218 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.444 -7.199 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.283 -7.648 -7.955 1.00 0.00 H new ATOM 492 N LYS A 32 7.465 -4.676 -3.028 1.00 0.00 N ATOM 493 CA LYS A 32 7.667 -5.648 -1.955 1.00 0.00 C ATOM 494 C LYS A 32 7.117 -5.122 -0.632 1.00 0.00 C ATOM 495 O LYS A 32 6.508 -5.867 0.135 1.00 0.00 O ATOM 496 CB LYS A 32 9.154 -5.978 -1.805 1.00 0.00 C ATOM 497 CG LYS A 32 9.863 -6.207 -3.129 1.00 0.00 C ATOM 498 CD LYS A 32 10.942 -7.272 -3.011 1.00 0.00 C ATOM 499 CE LYS A 32 11.971 -6.915 -1.949 1.00 0.00 C ATOM 500 NZ LYS A 32 11.885 -7.817 -0.767 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.317 -4.395 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 32 7.126 -6.557 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.647 -5.163 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.259 -6.870 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.136 -6.507 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.309 -5.273 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.483 -8.230 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.439 -7.394 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.971 -6.974 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.821 -5.884 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.166 -7.296 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.908 -8.157 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.521 -8.628 -0.902 1.00 0.00 H new ATOM 514 N LYS A 33 7.321 -3.836 -0.378 1.00 0.00 N ATOM 515 CA LYS A 33 6.827 -3.215 0.845 1.00 0.00 C ATOM 516 C LYS A 33 5.303 -3.213 0.856 1.00 0.00 C ATOM 517 O LYS A 33 4.675 -3.373 1.902 1.00 0.00 O ATOM 518 CB LYS A 33 7.358 -1.785 0.970 1.00 0.00 C ATOM 519 CG LYS A 33 6.866 -1.059 2.213 1.00 0.00 C ATOM 520 CD LYS A 33 7.980 -0.263 2.873 1.00 0.00 C ATOM 521 CE LYS A 33 8.687 -1.075 3.947 1.00 0.00 C ATOM 522 NZ LYS A 33 8.780 -0.334 5.237 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.824 -3.204 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 33 7.184 -3.794 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.448 -1.811 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.062 -1.218 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.049 -0.389 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.465 -1.782 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.702 0.049 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.568 0.644 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.152 -2.011 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.689 -1.334 3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.269 -0.923 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.313 0.548 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.824 -0.109 5.578 1.00 0.00 H new ATOM 536 N TYR A 34 4.718 -3.028 -0.323 1.00 0.00 N ATOM 537 CA TYR A 34 3.269 -3.000 -0.471 1.00 0.00 C ATOM 538 C TYR A 34 2.631 -4.286 0.051 1.00 0.00 C ATOM 539 O TYR A 34 1.557 -4.252 0.647 1.00 0.00 O ATOM 540 CB TYR A 34 2.893 -2.785 -1.941 1.00 0.00 C ATOM 541 CG TYR A 34 2.092 -1.529 -2.178 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.772 -1.434 -1.761 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.660 -0.435 -2.817 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.041 -0.284 -1.974 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.936 0.719 -3.031 1.00 0.00 C ATOM 546 CZ TYR A 34 0.626 0.788 -2.608 1.00 0.00 C ATOM 547 OH TYR A 34 -0.098 1.937 -2.813 1.00 0.00 O ATOM 0 H TYR A 34 5.230 -2.894 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 34 2.887 -2.170 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.804 -2.744 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.320 -3.644 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.310 -2.273 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.685 -0.489 -3.152 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.986 -0.225 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.392 1.563 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 34 0.473 2.717 -2.652 1.00 0.00 H new ATOM 557 N GLU A 35 3.294 -5.416 -0.177 1.00 0.00 N ATOM 558 CA GLU A 35 2.784 -6.709 0.272 1.00 0.00 C ATOM 559 C GLU A 35 2.519 -6.698 1.774 1.00 0.00 C ATOM 560 O GLU A 35 1.487 -7.186 2.237 1.00 0.00 O ATOM 561 CB GLU A 35 3.777 -7.820 -0.073 1.00 0.00 C ATOM 562 CG GLU A 35 4.143 -7.873 -1.548 1.00 0.00 C ATOM 563 CD GLU A 35 3.263 -8.825 -2.333 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.650 -9.717 -1.710 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 3.186 -8.678 -3.571 1.00 0.00 O ATOM 0 H GLU A 35 4.186 -5.463 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 35 1.843 -6.899 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.685 -7.679 0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.353 -8.780 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.062 -6.873 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.184 -8.179 -1.649 1.00 0.00 H new ATOM 572 N GLU A 36 3.454 -6.132 2.527 1.00 0.00 N ATOM 573 CA GLU A 36 3.328 -6.043 3.975 1.00 0.00 C ATOM 574 C GLU A 36 2.057 -5.295 4.360 1.00 0.00 C ATOM 575 O GLU A 36 1.398 -5.633 5.341 1.00 0.00 O ATOM 576 CB GLU A 36 4.550 -5.342 4.568 1.00 0.00 C ATOM 577 CG GLU A 36 4.577 -5.353 6.085 1.00 0.00 C ATOM 578 CD GLU A 36 5.037 -6.683 6.650 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.019 -7.244 6.123 1.00 0.00 O ATOM 580 OE2 GLU A 36 4.414 -7.162 7.622 1.00 0.00 O1- ATOM 0 H GLU A 36 4.313 -5.726 2.155 1.00 0.00 H new ATOM 0 HA GLU A 36 3.269 -7.054 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.453 -5.824 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.571 -4.309 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.240 -4.563 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.581 -5.126 6.464 1.00 0.00 H new ATOM 587 N LEU A 37 1.731 -4.269 3.583 1.00 0.00 N ATOM 588 CA LEU A 37 0.550 -3.449 3.830 1.00 0.00 C ATOM 589 C LEU A 37 -0.730 -4.281 3.817 1.00 0.00 C ATOM 590 O LEU A 37 -1.591 -4.123 4.680 1.00 0.00 O ATOM 591 CB LEU A 37 0.466 -2.359 2.759 1.00 0.00 C ATOM 592 CG LEU A 37 0.592 -0.923 3.262 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.748 -0.418 3.774 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.656 -0.819 4.345 1.00 0.00 C ATOM 0 H LEU A 37 2.274 -3.983 2.768 1.00 0.00 H new ATOM 0 HA LEU A 37 0.644 -3.003 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.251 -2.537 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.487 -2.460 2.239 1.00 0.00 H new ATOM 0 HG LEU A 37 0.900 -0.295 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.639 0.607 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.480 -0.447 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.086 -1.051 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.727 0.213 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.386 -1.461 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.618 -1.134 3.941 1.00 0.00 H new ATOM 606 N LYS A 38 -0.852 -5.154 2.829 1.00 0.00 N ATOM 607 CA LYS A 38 -2.030 -6.005 2.689 1.00 0.00 C ATOM 608 C LYS A 38 -2.269 -6.850 3.939 1.00 0.00 C ATOM 609 O LYS A 38 -3.409 -7.054 4.350 1.00 0.00 O ATOM 610 CB LYS A 38 -1.880 -6.917 1.469 1.00 0.00 C ATOM 611 CG LYS A 38 -1.783 -6.161 0.153 1.00 0.00 C ATOM 612 CD LYS A 38 -0.593 -6.627 -0.674 1.00 0.00 C ATOM 613 CE LYS A 38 -0.973 -6.839 -2.131 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.098 -7.844 -2.793 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.146 -5.294 2.106 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.893 -5.353 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.988 -7.531 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.731 -7.596 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.701 -6.303 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.693 -5.093 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.207 -5.889 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.203 -7.557 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.011 -7.166 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.906 -5.891 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.135 -7.712 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.881 -7.723 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.427 -8.801 -2.555 1.00 0.00 H new ATOM 628 N LYS A 39 -1.190 -7.357 4.520 1.00 0.00 N ATOM 629 CA LYS A 39 -1.272 -8.202 5.710 1.00 0.00 C ATOM 630 C LYS A 39 -1.817 -7.448 6.925 1.00 0.00 C ATOM 631 O LYS A 39 -2.552 -8.015 7.731 1.00 0.00 O ATOM 632 CB LYS A 39 0.105 -8.779 6.038 1.00 0.00 C ATOM 633 CG LYS A 39 0.490 -9.968 5.170 1.00 0.00 C ATOM 634 CD LYS A 39 1.708 -9.663 4.312 1.00 0.00 C ATOM 635 CE LYS A 39 2.972 -10.267 4.904 1.00 0.00 C ATOM 636 NZ LYS A 39 3.191 -11.664 4.435 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.240 -7.198 4.186 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.970 -9.008 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.855 -7.997 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.122 -9.083 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.697 -10.830 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.349 -10.238 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.553 -10.054 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.828 -8.584 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.830 -9.653 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.905 -10.255 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.062 -12.041 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.384 -12.256 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.280 -11.672 3.399 1.00 0.00 H new ATOM 650 N LYS A 40 -1.436 -6.183 7.065 1.00 0.00 N ATOM 651 CA LYS A 40 -1.871 -5.369 8.200 1.00 0.00 C ATOM 652 C LYS A 40 -3.385 -5.165 8.211 1.00 0.00 C ATOM 653 O LYS A 40 -4.029 -5.272 9.254 1.00 0.00 O ATOM 654 CB LYS A 40 -1.164 -4.012 8.175 1.00 0.00 C ATOM 655 CG LYS A 40 -0.586 -3.602 9.520 1.00 0.00 C ATOM 656 CD LYS A 40 0.397 -2.450 9.376 1.00 0.00 C ATOM 657 CE LYS A 40 1.836 -2.938 9.411 1.00 0.00 C ATOM 658 NZ LYS A 40 2.351 -3.249 8.050 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.826 -5.697 6.408 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.603 -5.906 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.361 -4.043 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.870 -3.250 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.394 -3.311 10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.084 -4.455 9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.212 -1.927 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.236 -1.730 10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.466 -2.177 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.902 -3.828 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.346 -3.546 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.787 -4.016 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.281 -2.402 7.450 1.00 0.00 H new ATOM 672 N ILE A 41 -3.944 -4.865 7.046 1.00 0.00 N ATOM 673 CA ILE A 41 -5.379 -4.639 6.919 1.00 0.00 C ATOM 674 C ILE A 41 -6.157 -5.901 7.262 1.00 0.00 C ATOM 675 O ILE A 41 -7.237 -5.841 7.850 1.00 0.00 O ATOM 676 CB ILE A 41 -5.749 -4.184 5.493 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.926 -2.958 5.098 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.237 -3.882 5.397 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.710 -2.831 3.605 1.00 0.00 C ATOM 0 H ILE A 41 -3.425 -4.772 6.173 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.646 -3.849 7.621 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.520 -4.994 4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.427 -2.061 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.957 -3.005 5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.479 -3.562 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.807 -4.779 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.493 -3.088 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.119 -1.939 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.181 -3.711 3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.674 -2.752 3.103 1.00 0.00 H new ATOM 691 N GLU A 42 -5.590 -7.042 6.901 1.00 0.00 N ATOM 692 CA GLU A 42 -6.208 -8.328 7.175 1.00 0.00 C ATOM 693 C GLU A 42 -6.334 -8.541 8.678 1.00 0.00 C ATOM 694 O GLU A 42 -7.282 -9.166 9.152 1.00 0.00 O ATOM 695 CB GLU A 42 -5.386 -9.456 6.547 1.00 0.00 C ATOM 696 CG GLU A 42 -5.995 -10.013 5.270 1.00 0.00 C ATOM 697 CD GLU A 42 -5.615 -11.461 5.026 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.459 -11.830 5.327 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.472 -12.225 4.536 1.00 0.00 O ATOM 0 H GLU A 42 -4.696 -7.102 6.414 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.205 -8.337 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.383 -9.087 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.279 -10.264 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.081 -9.930 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.670 -9.408 4.423 1.00 0.00 H new ATOM 706 N GLU A 43 -5.363 -8.017 9.420 1.00 0.00 N ATOM 707 CA GLU A 43 -5.354 -8.149 10.871 1.00 0.00 C ATOM 708 C GLU A 43 -6.284 -7.130 11.522 1.00 0.00 C ATOM 709 O GLU A 43 -6.835 -7.375 12.595 1.00 0.00 O ATOM 710 CB GLU A 43 -3.932 -7.973 11.409 1.00 0.00 C ATOM 711 CG GLU A 43 -3.121 -9.258 11.418 1.00 0.00 C ATOM 712 CD GLU A 43 -2.033 -9.253 12.474 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.136 -8.387 12.397 1.00 0.00 O ATOM 714 OE2 GLU A 43 -2.079 -10.113 13.378 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.572 -7.497 9.039 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.712 -9.148 11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.413 -7.230 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.983 -7.578 12.424 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.787 -10.103 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.669 -9.405 10.437 1.00 0.00 H new ATOM 721 N LEU A 44 -6.452 -5.985 10.868 1.00 0.00 N ATOM 722 CA LEU A 44 -7.314 -4.928 11.387 1.00 0.00 C ATOM 723 C LEU A 44 -8.741 -5.430 11.581 1.00 0.00 C ATOM 724 O LEU A 44 -9.327 -6.032 10.680 1.00 0.00 O ATOM 725 CB LEU A 44 -7.304 -3.724 10.441 1.00 0.00 C ATOM 726 CG LEU A 44 -6.589 -2.485 10.981 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.523 -1.400 9.916 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.289 -1.968 12.230 1.00 0.00 C ATOM 0 H LEU A 44 -6.003 -5.765 9.979 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.926 -4.621 12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.830 -4.020 9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.334 -3.457 10.206 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.570 -2.764 11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.011 -0.526 10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.977 -1.773 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.534 -1.122 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.767 -1.086 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.319 -1.705 11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.283 -2.742 12.997 1.00 0.00 H new ATOM 740 N GLY A 45 -9.295 -5.177 12.761 1.00 0.00 N ATOM 741 CA GLY A 45 -10.651 -5.607 13.054 1.00 0.00 C ATOM 742 C GLY A 45 -11.630 -4.450 13.091 1.00 0.00 C ATOM 743 O GLY A 45 -12.450 -4.294 12.186 1.00 0.00 O ATOM 0 H GLY A 45 -8.830 -4.681 13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.972 -6.327 12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.666 -6.123 14.014 1.00 0.00 H new ATOM 747 N GLY A 46 -11.542 -3.637 14.138 1.00 0.00 N ATOM 748 CA GLY A 46 -12.432 -2.498 14.269 1.00 0.00 C ATOM 749 C GLY A 46 -11.894 -1.447 15.220 1.00 0.00 C ATOM 750 O GLY A 46 -11.650 -1.730 16.394 1.00 0.00 O ATOM 0 H GLY A 46 -10.871 -3.746 14.898 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.589 -2.049 13.288 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.405 -2.840 14.623 1.00 0.00 H new ATOM 754 N GLY A 47 -11.709 -0.233 14.715 1.00 0.00 N ATOM 755 CA GLY A 47 -11.197 0.845 15.542 1.00 0.00 C ATOM 756 C GLY A 47 -10.730 2.033 14.724 1.00 0.00 C ATOM 757 O GLY A 47 -11.103 2.179 13.560 1.00 0.00 O ATOM 0 H GLY A 47 -11.904 0.025 13.748 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.974 1.168 16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.368 0.474 16.144 1.00 0.00 H new ATOM 761 N GLY A 48 -9.911 2.884 15.334 1.00 0.00 N ATOM 762 CA GLY A 48 -9.406 4.054 14.640 1.00 0.00 C ATOM 763 C GLY A 48 -8.000 3.852 14.110 1.00 0.00 C ATOM 764 O GLY A 48 -7.196 4.783 14.095 1.00 0.00 O ATOM 0 H GLY A 48 -9.588 2.784 16.296 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.072 4.297 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.416 4.907 15.318 1.00 0.00 H new ATOM 768 N GLU A 49 -7.704 2.632 13.676 1.00 0.00 N ATOM 769 CA GLU A 49 -6.386 2.309 13.143 1.00 0.00 C ATOM 770 C GLU A 49 -6.410 2.248 11.618 1.00 0.00 C ATOM 771 O GLU A 49 -5.382 2.427 10.965 1.00 0.00 O ATOM 772 CB GLU A 49 -5.897 0.974 13.709 1.00 0.00 C ATOM 773 CG GLU A 49 -4.514 0.575 13.221 1.00 0.00 C ATOM 774 CD GLU A 49 -3.659 -0.025 14.319 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.572 0.586 15.406 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -3.074 -1.105 14.094 1.00 0.00 O ATOM 0 H GLU A 49 -8.359 1.850 13.683 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.699 3.100 13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.886 1.033 14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.608 0.193 13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.613 -0.145 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.011 1.451 12.811 1.00 0.00 H new ATOM 783 N VAL A 50 -7.588 1.993 11.054 1.00 0.00 N ATOM 784 CA VAL A 50 -7.741 1.908 9.605 1.00 0.00 C ATOM 785 C VAL A 50 -7.215 3.165 8.920 1.00 0.00 C ATOM 786 O VAL A 50 -6.689 3.104 7.809 1.00 0.00 O ATOM 787 CB VAL A 50 -9.213 1.697 9.207 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.668 0.292 9.572 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.102 2.742 9.864 1.00 0.00 C ATOM 0 H VAL A 50 -8.450 1.842 11.578 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.157 1.048 9.276 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.297 1.813 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.711 0.161 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.052 -0.438 9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.568 0.145 10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.138 2.575 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.015 2.664 10.948 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.790 3.737 9.546 1.00 0.00 H new ATOM 799 N LYS A 51 -7.357 4.304 9.591 1.00 0.00 N ATOM 800 CA LYS A 51 -6.892 5.574 9.045 1.00 0.00 C ATOM 801 C LYS A 51 -5.369 5.595 8.951 1.00 0.00 C ATOM 802 O LYS A 51 -4.800 6.198 8.042 1.00 0.00 O ATOM 803 CB LYS A 51 -7.377 6.736 9.914 1.00 0.00 C ATOM 804 CG LYS A 51 -8.880 6.956 9.853 1.00 0.00 C ATOM 805 CD LYS A 51 -9.608 6.112 10.886 1.00 0.00 C ATOM 806 CE LYS A 51 -10.891 6.783 11.349 1.00 0.00 C ATOM 807 NZ LYS A 51 -10.632 8.107 11.979 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.790 4.373 10.512 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.304 5.685 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.087 6.551 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.872 7.649 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.102 8.010 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.245 6.708 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.840 5.135 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.956 5.941 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.561 6.911 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.402 6.136 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.388 8.321 12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.717 8.084 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.610 8.843 11.244 1.00 0.00 H new ATOM 821 N LYS A 52 -4.717 4.928 9.898 1.00 0.00 N ATOM 822 CA LYS A 52 -3.261 4.864 9.927 1.00 0.00 C ATOM 823 C LYS A 52 -2.728 4.077 8.735 1.00 0.00 C ATOM 824 O LYS A 52 -1.656 4.376 8.213 1.00 0.00 O ATOM 825 CB LYS A 52 -2.784 4.224 11.232 1.00 0.00 C ATOM 826 CG LYS A 52 -2.481 5.233 12.328 1.00 0.00 C ATOM 827 CD LYS A 52 -1.205 6.005 12.038 1.00 0.00 C ATOM 828 CE LYS A 52 -0.389 6.229 13.301 1.00 0.00 C ATOM 829 NZ LYS A 52 -0.863 7.415 14.066 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.175 4.423 10.657 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.875 5.882 9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.547 3.532 11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.888 3.636 11.033 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.315 5.929 12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.386 4.716 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.606 5.459 11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.454 6.967 11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.447 5.343 13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.660 6.363 13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.281 7.533 14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.784 8.265 13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.856 7.276 14.341 1.00 0.00 H new ATOM 843 N VAL A 53 -3.482 3.067 8.314 1.00 0.00 N ATOM 844 CA VAL A 53 -3.091 2.229 7.186 1.00 0.00 C ATOM 845 C VAL A 53 -3.131 3.006 5.872 1.00 0.00 C ATOM 846 O VAL A 53 -2.280 2.818 5.006 1.00 0.00 O ATOM 847 CB VAL A 53 -4.000 0.988 7.067 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.543 0.088 5.929 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.032 0.224 8.382 1.00 0.00 C ATOM 0 H VAL A 53 -4.372 2.808 8.740 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.068 1.906 7.376 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.012 1.325 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.199 -0.780 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.580 0.641 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.521 -0.243 6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.678 -0.648 8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.023 -0.099 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.418 0.871 9.170 1.00 0.00 H new ATOM 859 N GLU A 54 -4.129 3.865 5.721 1.00 0.00 N ATOM 860 CA GLU A 54 -4.273 4.655 4.503 1.00 0.00 C ATOM 861 C GLU A 54 -3.122 5.649 4.344 1.00 0.00 C ATOM 862 O GLU A 54 -2.715 5.966 3.228 1.00 0.00 O ATOM 863 CB GLU A 54 -5.606 5.405 4.512 1.00 0.00 C ATOM 864 CG GLU A 54 -6.816 4.497 4.673 1.00 0.00 C ATOM 865 CD GLU A 54 -8.086 5.266 4.975 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.106 6.009 5.979 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.061 5.128 4.207 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.850 4.034 6.423 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.250 3.968 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.598 6.133 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.704 5.965 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.955 3.918 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.627 3.785 5.477 1.00 0.00 H new ATOM 874 N GLU A 55 -2.616 6.151 5.466 1.00 0.00 N ATOM 875 CA GLU A 55 -1.524 7.123 5.448 1.00 0.00 C ATOM 876 C GLU A 55 -0.196 6.499 5.012 1.00 0.00 C ATOM 877 O GLU A 55 0.591 7.132 4.309 1.00 0.00 O ATOM 878 CB GLU A 55 -1.365 7.759 6.831 1.00 0.00 C ATOM 879 CG GLU A 55 -0.447 8.971 6.839 1.00 0.00 C ATOM 880 CD GLU A 55 0.173 9.225 8.199 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.614 8.250 8.842 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.219 10.400 8.619 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.943 5.902 6.399 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.785 7.886 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.347 8.054 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.974 7.013 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.345 8.827 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.011 9.851 6.531 1.00 0.00 H new ATOM 889 N GLU A 56 0.061 5.270 5.452 1.00 0.00 N ATOM 890 CA GLU A 56 1.310 4.585 5.124 1.00 0.00 C ATOM 891 C GLU A 56 1.423 4.283 3.632 1.00 0.00 C ATOM 892 O GLU A 56 2.488 4.456 3.039 1.00 0.00 O ATOM 893 CB GLU A 56 1.438 3.293 5.937 1.00 0.00 C ATOM 894 CG GLU A 56 0.237 2.372 5.825 1.00 0.00 C ATOM 895 CD GLU A 56 0.497 1.000 6.417 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.678 0.664 6.645 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 -0.482 0.261 6.654 1.00 0.00 O ATOM 0 H GLU A 56 -0.577 4.728 6.035 1.00 0.00 H new ATOM 0 HA GLU A 56 2.128 5.257 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.327 2.755 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.590 3.549 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.614 2.827 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.037 2.265 4.776 1.00 0.00 H new ATOM 904 N VAL A 57 0.331 3.831 3.025 1.00 0.00 N ATOM 905 CA VAL A 57 0.332 3.511 1.601 1.00 0.00 C ATOM 906 C VAL A 57 0.541 4.764 0.757 1.00 0.00 C ATOM 907 O VAL A 57 1.200 4.720 -0.282 1.00 0.00 O ATOM 908 CB VAL A 57 -0.967 2.793 1.170 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.133 3.768 1.076 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.756 2.073 -0.153 1.00 0.00 C ATOM 0 H VAL A 57 -0.562 3.678 3.493 1.00 0.00 H new ATOM 0 HA VAL A 57 1.165 2.829 1.431 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.216 2.055 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.032 3.232 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.299 4.231 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.904 4.540 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.678 1.571 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.477 2.796 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.039 1.335 -0.043 1.00 0.00 H new ATOM 920 N LYS A 58 -0.017 5.884 1.212 1.00 0.00 N ATOM 921 CA LYS A 58 0.118 7.152 0.501 1.00 0.00 C ATOM 922 C LYS A 58 1.590 7.482 0.270 1.00 0.00 C ATOM 923 O LYS A 58 1.955 8.077 -0.742 1.00 0.00 O ATOM 924 CB LYS A 58 -0.560 8.279 1.287 1.00 0.00 C ATOM 925 CG LYS A 58 -1.832 8.794 0.635 1.00 0.00 C ATOM 926 CD LYS A 58 -1.532 9.844 -0.423 1.00 0.00 C ATOM 927 CE LYS A 58 -0.949 11.106 0.193 1.00 0.00 C ATOM 928 NZ LYS A 58 -1.278 12.318 -0.606 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.567 5.938 2.070 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.372 7.057 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.794 7.922 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.141 9.106 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.371 7.963 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.485 9.220 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.832 9.437 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.447 10.090 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.331 11.225 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.134 11.005 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.862 13.156 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.891 12.216 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.311 12.429 -0.659 1.00 0.00 H new ATOM 942 N LYS A 59 2.429 7.092 1.221 1.00 0.00 N ATOM 943 CA LYS A 59 3.863 7.334 1.129 1.00 0.00 C ATOM 944 C LYS A 59 4.493 6.500 0.015 1.00 0.00 C ATOM 945 O LYS A 59 5.410 6.953 -0.669 1.00 0.00 O ATOM 946 CB LYS A 59 4.541 7.016 2.463 1.00 0.00 C ATOM 947 CG LYS A 59 3.945 7.764 3.643 1.00 0.00 C ATOM 948 CD LYS A 59 4.726 7.506 4.922 1.00 0.00 C ATOM 949 CE LYS A 59 5.239 8.800 5.534 1.00 0.00 C ATOM 950 NZ LYS A 59 4.136 9.621 6.104 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.139 6.604 2.069 1.00 0.00 H new ATOM 0 HA LYS A 59 4.010 8.388 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.471 5.944 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.601 7.258 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.937 8.833 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.908 7.459 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.089 6.990 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.566 6.845 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.962 8.570 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.765 9.377 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.528 10.494 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.459 9.863 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.649 9.080 6.847 1.00 0.00 H new ATOM 964 N LEU A 60 4.010 5.270 -0.140 1.00 0.00 N ATOM 965 CA LEU A 60 4.535 4.350 -1.149 1.00 0.00 C ATOM 966 C LEU A 60 4.416 4.914 -2.565 1.00 0.00 C ATOM 967 O LEU A 60 5.361 4.836 -3.350 1.00 0.00 O ATOM 968 CB LEU A 60 3.796 3.013 -1.061 1.00 0.00 C ATOM 969 CG LEU A 60 4.642 1.775 -1.361 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.191 1.834 -2.777 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.774 1.641 -0.351 1.00 0.00 C ATOM 0 H LEU A 60 3.252 4.884 0.423 1.00 0.00 H new ATOM 0 HA LEU A 60 5.596 4.207 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.379 2.913 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.956 3.035 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 60 4.004 0.895 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.790 0.945 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.364 1.877 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.813 2.722 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.364 0.754 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.411 2.524 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.358 1.549 0.652 1.00 0.00 H new ATOM 983 N GLU A 61 3.257 5.474 -2.892 1.00 0.00 N ATOM 984 CA GLU A 61 3.036 6.039 -4.221 1.00 0.00 C ATOM 985 C GLU A 61 3.875 7.296 -4.428 1.00 0.00 C ATOM 986 O GLU A 61 4.331 7.573 -5.537 1.00 0.00 O ATOM 987 CB GLU A 61 1.552 6.347 -4.448 1.00 0.00 C ATOM 988 CG GLU A 61 0.923 7.187 -3.350 1.00 0.00 C ATOM 989 CD GLU A 61 0.858 8.659 -3.707 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.899 9.220 -4.108 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 -0.235 9.251 -3.585 1.00 0.00 O ATOM 0 H GLU A 61 2.459 5.550 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 61 3.348 5.293 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.440 6.867 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.005 5.408 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.084 6.821 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.496 7.065 -2.431 1.00 0.00 H new ATOM 998 N GLU A 62 4.073 8.053 -3.353 1.00 0.00 N ATOM 999 CA GLU A 62 4.858 9.282 -3.413 1.00 0.00 C ATOM 1000 C GLU A 62 6.257 9.002 -3.949 1.00 0.00 C ATOM 1001 O GLU A 62 6.815 9.799 -4.703 1.00 0.00 O ATOM 1002 CB GLU A 62 4.949 9.923 -2.026 1.00 0.00 C ATOM 1003 CG GLU A 62 3.623 10.468 -1.521 1.00 0.00 C ATOM 1004 CD GLU A 62 3.715 11.919 -1.086 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.835 12.371 -0.765 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 2.669 12.601 -1.066 1.00 0.00 O ATOM 0 H GLU A 62 3.700 7.837 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 62 4.358 9.973 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.323 9.184 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.678 10.733 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.873 10.375 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.282 9.862 -0.682 1.00 0.00 H new ATOM 1013 N GLU A 63 6.811 7.859 -3.563 1.00 0.00 N ATOM 1014 CA GLU A 63 8.138 7.465 -4.013 1.00 0.00 C ATOM 1015 C GLU A 63 8.113 7.150 -5.502 1.00 0.00 C ATOM 1016 O GLU A 63 9.090 7.376 -6.213 1.00 0.00 O ATOM 1017 CB GLU A 63 8.631 6.247 -3.229 1.00 0.00 C ATOM 1018 CG GLU A 63 8.462 6.380 -1.726 1.00 0.00 C ATOM 1019 CD GLU A 63 9.390 7.416 -1.123 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.579 8.480 -1.749 1.00 0.00 O ATOM 1021 OE2 GLU A 63 9.926 7.164 -0.022 1.00 0.00 O1- ATOM 0 H GLU A 63 6.361 7.189 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 63 8.824 8.294 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.091 5.364 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.685 6.083 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.430 6.649 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.648 5.414 -1.257 1.00 0.00 H new ATOM 1028 N ILE A 64 6.981 6.625 -5.963 1.00 0.00 N ATOM 1029 CA ILE A 64 6.818 6.277 -7.371 1.00 0.00 C ATOM 1030 C ILE A 64 7.048 7.492 -8.266 1.00 0.00 C ATOM 1031 O ILE A 64 7.681 7.389 -9.317 1.00 0.00 O ATOM 1032 CB ILE A 64 5.413 5.702 -7.650 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.125 4.519 -6.722 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.289 5.277 -9.107 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.762 3.900 -6.939 1.00 0.00 C ATOM 0 H ILE A 64 6.164 6.432 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 64 7.564 5.515 -7.598 1.00 0.00 H new ATOM 0 HB ILE A 64 4.677 6.482 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.889 3.756 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.204 4.852 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.292 4.874 -9.285 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.452 6.140 -9.753 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.034 4.512 -9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.626 3.068 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.990 4.649 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.687 3.536 -7.964 1.00 0.00 H new ATOM 1047 N LYS A 65 6.528 8.640 -7.844 1.00 0.00 N ATOM 1048 CA LYS A 65 6.676 9.873 -8.609 1.00 0.00 C ATOM 1049 C LYS A 65 8.132 10.327 -8.631 1.00 0.00 C ATOM 1050 O LYS A 65 8.632 10.793 -9.654 1.00 0.00 O ATOM 1051 CB LYS A 65 5.797 10.975 -8.014 1.00 0.00 C ATOM 1052 CG LYS A 65 4.341 10.892 -8.444 1.00 0.00 C ATOM 1053 CD LYS A 65 3.471 11.858 -7.656 1.00 0.00 C ATOM 1054 CE LYS A 65 3.267 13.164 -8.408 1.00 0.00 C ATOM 1055 NZ LYS A 65 4.342 14.150 -8.110 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.001 8.742 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 65 6.359 9.676 -9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.849 10.922 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.198 11.945 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.262 11.114 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.976 9.875 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.504 11.397 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.934 12.061 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.243 12.966 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.300 13.590 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.952 15.113 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.721 13.973 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.105 14.054 -8.810 1.00 0.00 H new ATOM 1069 N LYS A 66 8.805 10.188 -7.495 1.00 0.00 N ATOM 1070 CA LYS A 66 10.204 10.582 -7.381 1.00 0.00 C ATOM 1071 C LYS A 66 11.076 9.793 -8.355 1.00 0.00 C ATOM 1072 O LYS A 66 12.162 10.237 -8.727 1.00 0.00 O ATOM 1073 CB LYS A 66 10.701 10.368 -5.950 1.00 0.00 C ATOM 1074 CG LYS A 66 10.053 11.299 -4.938 1.00 0.00 C ATOM 1075 CD LYS A 66 10.981 12.444 -4.561 1.00 0.00 C ATOM 1076 CE LYS A 66 10.222 13.752 -4.412 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.065 14.144 -2.984 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.404 9.805 -6.639 1.00 0.00 H new ATOM 0 HA LYS A 66 10.277 11.640 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.509 9.336 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.781 10.511 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.128 11.700 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.785 10.736 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.489 12.209 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.752 12.555 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.749 14.541 -4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.239 13.655 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.542 15.041 -2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.540 13.404 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.003 14.261 -2.551 1.00 0.00 H new ATOM 1091 N LEU A 67 10.597 8.622 -8.762 1.00 0.00 N ATOM 1092 CA LEU A 67 11.338 7.775 -9.688 1.00 0.00 C ATOM 1093 C LEU A 67 10.691 7.781 -11.072 1.00 0.00 C ATOM 1094 O LEU A 67 9.519 8.200 -11.175 1.00 0.00 O ATOM 1095 CB LEU A 67 11.430 6.345 -9.141 1.00 0.00 C ATOM 1096 CG LEU A 67 10.306 5.395 -9.566 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.683 4.661 -10.844 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.993 4.405 -8.453 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.363 7.367 -12.040 1.00 0.00 O ATOM 0 H LEU A 67 9.700 8.239 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 67 12.346 8.177 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.381 5.916 -9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.447 6.393 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 67 9.411 5.986 -9.760 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.873 3.991 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.856 5.384 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.591 4.082 -10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.192 3.739 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.884 3.819 -8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.679 4.947 -7.561 1.00 0.00 H new