USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 142 hydrogens (7 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H2 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 8 DPR H : A 8 DPR N : A 7 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.394 (180deg=-0.394) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -113:sc= 0.53 (180deg=-1.48) USER MOD Single : A 14 ASN :FLIP amide:sc= -7.54! C(o=-21!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.202 2.072 1.234 1.00 0.00 N ATOM 2 CA GLY A 1 -10.199 3.480 0.855 1.00 0.00 C ATOM 3 C GLY A 1 -8.780 3.973 0.592 1.00 0.00 C ATOM 4 O GLY A 1 -8.581 5.040 0.010 1.00 0.00 O ATOM 0 H3 GLY A 1 -11.179 1.761 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.808 3.621 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.653 4.074 1.648 1.00 0.00 H new ATOM 8 N SER A 2 -7.796 3.189 1.022 1.00 0.00 N ATOM 9 CA SER A 2 -6.398 3.557 0.826 1.00 0.00 C ATOM 10 C SER A 2 -6.128 3.871 -0.643 1.00 0.00 C ATOM 11 O SER A 2 -7.055 3.962 -1.448 1.00 0.00 O ATOM 12 CB SER A 2 -5.489 2.415 1.281 1.00 0.00 C ATOM 13 OG SER A 2 -4.675 2.864 2.356 1.00 0.00 O ATOM 0 H SER A 2 -7.939 2.302 1.505 1.00 0.00 H new ATOM 0 HA SER A 2 -6.189 4.446 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.088 1.561 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.865 2.079 0.453 1.00 0.00 H new ATOM 0 HG SER A 2 -4.092 2.134 2.652 1.00 0.00 H new ATOM 19 N ARG A 3 -4.853 4.036 -0.985 1.00 0.00 N ATOM 20 CA ARG A 3 -4.476 4.339 -2.362 1.00 0.00 C ATOM 21 C ARG A 3 -3.247 3.534 -2.775 1.00 0.00 C ATOM 22 O ARG A 3 -2.546 3.896 -3.720 1.00 0.00 O ATOM 23 CB ARG A 3 -4.180 5.834 -2.508 1.00 0.00 C ATOM 24 CG ARG A 3 -5.304 6.643 -1.858 1.00 0.00 C ATOM 25 CD ARG A 3 -5.404 8.012 -2.534 1.00 0.00 C ATOM 26 NE ARG A 3 -5.955 7.873 -3.877 1.00 0.00 N ATOM 27 CZ ARG A 3 -6.501 8.907 -4.506 1.00 0.00 C ATOM 28 NH1 ARG A 3 -6.988 8.756 -5.708 1.00 0.00 N ATOM 29 NH2 ARG A 3 -6.552 10.073 -3.923 1.00 0.00 N ATOM 0 H ARG A 3 -4.070 3.966 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.308 4.068 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.226 6.074 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.091 6.097 -3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.250 6.110 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.109 6.765 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.036 8.673 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.418 8.474 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.920 6.965 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.949 7.844 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.408 9.550 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.172 10.191 -2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.972 10.867 -4.407 1.00 0.00 H new ATOM 43 N GLY A 4 -2.990 2.440 -2.063 1.00 0.00 N ATOM 44 CA GLY A 4 -1.839 1.595 -2.368 1.00 0.00 C ATOM 45 C GLY A 4 -0.548 2.406 -2.323 1.00 0.00 C ATOM 46 O GLY A 4 -0.574 3.632 -2.440 1.00 0.00 O ATOM 0 H GLY A 4 -3.557 2.120 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.784 0.775 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.960 1.149 -3.355 1.00 0.00 H new ATOM 50 N PHE A 5 0.578 1.721 -2.154 1.00 0.00 N ATOM 51 CA PHE A 5 1.870 2.397 -2.094 1.00 0.00 C ATOM 52 C PHE A 5 3.010 1.383 -2.069 1.00 0.00 C ATOM 53 O PHE A 5 2.786 0.189 -1.872 1.00 0.00 O ATOM 54 CB PHE A 5 1.943 3.272 -0.838 1.00 0.00 C ATOM 55 CG PHE A 5 3.114 4.221 -0.946 1.00 0.00 C ATOM 56 CD1 PHE A 5 4.202 4.095 -0.071 1.00 0.00 C ATOM 57 CD2 PHE A 5 3.111 5.227 -1.920 1.00 0.00 C ATOM 58 CE1 PHE A 5 5.286 4.976 -0.173 1.00 0.00 C ATOM 59 CE2 PHE A 5 4.195 6.107 -2.021 1.00 0.00 C ATOM 60 CZ PHE A 5 5.282 5.981 -1.148 1.00 0.00 C ATOM 0 H PHE A 5 0.623 0.707 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 5 1.971 3.020 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.017 3.834 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.051 2.646 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.204 3.320 0.681 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.272 5.324 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.125 4.880 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.193 6.883 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.118 6.660 -1.227 1.00 0.00 H new ATOM 70 N ARG A 6 4.231 1.874 -2.263 1.00 0.00 N ATOM 71 CA ARG A 6 5.410 1.012 -2.254 1.00 0.00 C ATOM 72 C ARG A 6 6.444 1.566 -1.278 1.00 0.00 C ATOM 73 O ARG A 6 6.842 2.727 -1.379 1.00 0.00 O ATOM 74 CB ARG A 6 6.021 0.941 -3.666 1.00 0.00 C ATOM 75 CG ARG A 6 6.588 -0.460 -3.943 1.00 0.00 C ATOM 76 CD ARG A 6 6.974 -0.574 -5.420 1.00 0.00 C ATOM 77 NE ARG A 6 6.982 0.742 -6.048 1.00 0.00 N ATOM 78 CZ ARG A 6 6.799 0.881 -7.358 1.00 0.00 C ATOM 79 NH1 ARG A 6 6.813 2.070 -7.895 1.00 0.00 N ATOM 80 NH2 ARG A 6 6.610 -0.171 -8.106 1.00 0.00 N ATOM 0 H ARG A 6 4.430 2.861 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 6 5.115 0.010 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.262 1.185 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.812 1.685 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.459 -0.642 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.848 -1.219 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.959 -1.033 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.270 -1.226 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 6 7.131 1.571 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.964 2.892 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.673 2.178 -8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.603 -1.101 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.470 -0.064 -9.111 1.00 0.00 H new ATOM 94 N PHE A 7 6.866 0.735 -0.329 1.00 0.00 N ATOM 95 CA PHE A 7 7.845 1.158 0.666 1.00 0.00 C ATOM 96 C PHE A 7 8.934 0.090 0.842 1.00 0.00 C ATOM 97 O PHE A 7 8.980 -0.626 1.842 1.00 0.00 O ATOM 98 CB PHE A 7 7.127 1.442 1.996 1.00 0.00 C ATOM 99 CG PHE A 7 7.477 2.834 2.481 1.00 0.00 C ATOM 100 CD1 PHE A 7 8.821 3.230 2.591 1.00 0.00 C ATOM 101 CD2 PHE A 7 6.456 3.732 2.824 1.00 0.00 C ATOM 102 CE1 PHE A 7 9.136 4.517 3.041 1.00 0.00 C ATOM 103 CE2 PHE A 7 6.776 5.019 3.274 1.00 0.00 C ATOM 104 CZ PHE A 7 8.115 5.411 3.382 1.00 0.00 C ATOM 0 H PHE A 7 6.548 -0.229 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 7 8.334 2.071 0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.049 1.353 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.418 0.703 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.610 2.541 2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.422 3.431 2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.169 4.821 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.989 5.710 3.538 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.360 6.404 3.729 1.00 0.00 H new HETATM 114 N DPR A 8 9.808 -0.023 -0.123 1.00 0.00 N HETATM 115 CA DPR A 8 10.922 -1.008 -0.100 1.00 0.00 C HETATM 116 CB DPR A 8 11.212 -1.216 -1.584 1.00 0.00 C HETATM 117 CG DPR A 8 10.877 0.088 -2.237 1.00 0.00 C HETATM 118 CD DPR A 8 9.828 0.778 -1.356 1.00 0.00 C HETATM 119 C DPR A 8 10.524 -2.332 0.570 1.00 0.00 C HETATM 120 O DPR A 8 9.886 -3.176 -0.061 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.767 0.710 -2.335 1.00 0.00 H new HETATM 0 HG2 DPR A 8 10.489 -0.073 -3.243 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.850 0.792 -1.838 1.00 0.00 H new HETATM 0 HD2 DPR A 8 10.098 1.814 -1.153 1.00 0.00 H new HETATM 0 HB3 DPR A 8 12.257 -1.481 -1.747 1.00 0.00 H new HETATM 0 HB2 DPR A 8 10.610 -2.027 -1.993 1.00 0.00 H new HETATM 0 HA DPR A 8 11.778 -0.657 0.477 1.00 0.00 H new ATOM 128 N PRO A 9 10.881 -2.538 1.820 1.00 0.00 N ATOM 129 CA PRO A 9 10.537 -3.796 2.549 1.00 0.00 C ATOM 130 C PRO A 9 9.055 -3.874 2.901 1.00 0.00 C ATOM 131 O PRO A 9 8.630 -4.756 3.646 1.00 0.00 O ATOM 132 CB PRO A 9 11.392 -3.727 3.815 1.00 0.00 C ATOM 133 CG PRO A 9 11.625 -2.274 4.052 1.00 0.00 C ATOM 134 CD PRO A 9 11.643 -1.608 2.675 1.00 0.00 C ATOM 0 HA PRO A 9 10.730 -4.682 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.881 -4.187 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.334 -4.260 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.838 -1.852 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.568 -2.112 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.181 -0.621 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.661 -1.473 2.310 1.00 0.00 H new ATOM 142 N LYS A 10 8.274 -2.947 2.360 1.00 0.00 N ATOM 143 CA LYS A 10 6.841 -2.921 2.624 1.00 0.00 C ATOM 144 C LYS A 10 6.105 -2.251 1.474 1.00 0.00 C ATOM 145 O LYS A 10 6.650 -1.379 0.804 1.00 0.00 O ATOM 146 CB LYS A 10 6.567 -2.181 3.943 1.00 0.00 C ATOM 147 CG LYS A 10 5.245 -1.404 3.878 1.00 0.00 C ATOM 148 CD LYS A 10 4.880 -0.913 5.280 1.00 0.00 C ATOM 149 CE LYS A 10 4.467 0.559 5.216 1.00 0.00 C ATOM 150 NZ LYS A 10 5.673 1.404 4.983 1.00 0.00 N ATOM 0 H LYS A 10 8.606 -2.208 1.740 1.00 0.00 H new ATOM 0 HA LYS A 10 6.477 -3.945 2.714 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.531 -2.897 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.386 -1.494 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.340 -0.558 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.453 -2.042 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.065 -1.513 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.730 -1.034 5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.744 0.710 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.979 0.852 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.856 1.988 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.495 0.793 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.511 2.021 4.162 1.00 0.00 H new ATOM 164 N ILE A 11 4.864 -2.664 1.262 1.00 0.00 N ATOM 165 CA ILE A 11 4.046 -2.099 0.195 1.00 0.00 C ATOM 166 C ILE A 11 2.576 -2.082 0.608 1.00 0.00 C ATOM 167 O ILE A 11 2.104 -2.983 1.303 1.00 0.00 O ATOM 168 CB ILE A 11 4.224 -2.899 -1.106 1.00 0.00 C ATOM 169 CG1 ILE A 11 3.479 -4.236 -1.010 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.709 -3.171 -1.355 1.00 0.00 C ATOM 171 CD1 ILE A 11 2.114 -4.119 -1.697 1.00 0.00 C ATOM 0 H ILE A 11 4.401 -3.387 1.813 1.00 0.00 H new ATOM 0 HA ILE A 11 4.373 -1.075 0.017 1.00 0.00 H new ATOM 0 HB ILE A 11 3.816 -2.314 -1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.067 -5.025 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.348 -4.516 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.825 -3.738 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.243 -2.225 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.118 -3.744 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.588 -5.071 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.526 -3.343 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.256 -3.860 -2.746 1.00 0.00 H new ATOM 183 N ILE A 12 1.859 -1.053 0.170 1.00 0.00 N ATOM 184 CA ILE A 12 0.442 -0.925 0.490 1.00 0.00 C ATOM 185 C ILE A 12 -0.403 -1.224 -0.742 1.00 0.00 C ATOM 186 O ILE A 12 0.079 -1.147 -1.871 1.00 0.00 O ATOM 187 CB ILE A 12 0.137 0.494 0.984 1.00 0.00 C ATOM 188 CG1 ILE A 12 1.112 0.880 2.106 1.00 0.00 C ATOM 189 CG2 ILE A 12 -1.301 0.564 1.505 1.00 0.00 C ATOM 190 CD1 ILE A 12 1.113 -0.195 3.197 1.00 0.00 C ATOM 0 H ILE A 12 2.234 -0.298 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 12 0.199 -1.640 1.276 1.00 0.00 H new ATOM 0 HB ILE A 12 0.254 1.191 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.117 0.998 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.825 1.841 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.512 1.574 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.992 0.306 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.424 -0.138 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.808 0.089 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.110 -0.292 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.422 -1.148 2.768 1.00 0.00 H new ATOM 202 N ARG A 13 -1.667 -1.563 -0.513 1.00 0.00 N ATOM 203 CA ARG A 13 -2.579 -1.872 -1.607 1.00 0.00 C ATOM 204 C ARG A 13 -3.895 -1.126 -1.424 1.00 0.00 C ATOM 205 O ARG A 13 -3.924 -0.031 -0.864 1.00 0.00 O ATOM 206 CB ARG A 13 -2.847 -3.374 -1.652 1.00 0.00 C ATOM 207 CG ARG A 13 -3.102 -3.806 -3.098 1.00 0.00 C ATOM 208 CD ARG A 13 -1.767 -4.059 -3.800 1.00 0.00 C ATOM 209 NE ARG A 13 -1.863 -3.699 -5.211 1.00 0.00 N ATOM 210 CZ ARG A 13 -0.783 -3.370 -5.912 1.00 0.00 C ATOM 211 NH1 ARG A 13 -0.896 -3.052 -7.172 1.00 0.00 N ATOM 212 NH2 ARG A 13 0.391 -3.366 -5.340 1.00 0.00 N ATOM 0 H ARG A 13 -2.082 -1.631 0.416 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.119 -1.558 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.995 -3.918 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.709 -3.619 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.711 -4.710 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.662 -3.034 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.980 -3.476 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.490 -5.109 -3.703 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.775 -3.700 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.813 -3.056 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.067 -2.799 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.479 -3.615 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.220 -3.113 -5.878 1.00 0.00 H new ATOM 226 N ASN A 14 -4.984 -1.726 -1.896 1.00 0.00 N ATOM 227 CA ASN A 14 -6.295 -1.101 -1.772 1.00 0.00 C ATOM 228 C ASN A 14 -7.388 -2.153 -1.625 1.00 0.00 C ATOM 229 O ASN A 14 -7.316 -3.229 -2.217 1.00 0.00 O ATOM 230 CB ASN A 14 -6.580 -0.234 -2.999 1.00 0.00 C ATOM 231 CG ASN A 14 -5.683 0.998 -2.982 1.00 0.00 C ATOM 232 OD1 ASN A 14 -5.421 1.586 -1.846 1.00 0.00 O flip ATOM 233 ND2 ASN A 14 -5.208 1.436 -4.030 1.00 0.00 N flip ATOM 0 H ASN A 14 -4.985 -2.633 -2.362 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.290 -0.477 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.407 -0.808 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.627 0.068 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.415 0.974 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.608 2.261 -4.012 1.00 0.00 H new ATOM 240 N GLU A 15 -8.400 -1.827 -0.828 1.00 0.00 N ATOM 241 CA GLU A 15 -9.512 -2.739 -0.598 1.00 0.00 C ATOM 242 C GLU A 15 -10.523 -2.105 0.351 1.00 0.00 C ATOM 243 O GLU A 15 -11.484 -2.748 0.773 1.00 0.00 O ATOM 244 CB GLU A 15 -9.002 -4.053 -0.002 1.00 0.00 C ATOM 245 CG GLU A 15 -9.310 -5.203 -0.962 1.00 0.00 C ATOM 246 CD GLU A 15 -8.814 -6.520 -0.371 1.00 0.00 C ATOM 247 OE1 GLU A 15 -7.611 -6.720 -0.347 1.00 0.00 O ATOM 248 OE2 GLU A 15 -9.646 -7.309 0.047 1.00 0.00 O ATOM 0 H GLU A 15 -8.472 -0.939 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.997 -2.944 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.928 -3.991 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.475 -4.234 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.383 -5.258 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.831 -5.023 -1.924 1.00 0.00 H new ATOM 255 N ARG A 16 -10.295 -0.837 0.680 1.00 0.00 N ATOM 256 CA ARG A 16 -11.187 -0.118 1.582 1.00 0.00 C ATOM 257 C ARG A 16 -11.310 1.343 1.158 1.00 0.00 C ATOM 258 O ARG A 16 -12.387 1.796 0.772 1.00 0.00 O ATOM 259 CB ARG A 16 -10.648 -0.191 3.014 1.00 0.00 C ATOM 260 CG ARG A 16 -11.814 -0.230 4.005 1.00 0.00 C ATOM 261 CD ARG A 16 -12.282 -1.675 4.192 1.00 0.00 C ATOM 262 NE ARG A 16 -13.653 -1.701 4.689 1.00 0.00 N ATOM 263 CZ ARG A 16 -14.688 -1.636 3.857 1.00 0.00 C ATOM 264 NH1 ARG A 16 -15.905 -1.661 4.327 1.00 0.00 N ATOM 265 NH2 ARG A 16 -14.488 -1.545 2.570 1.00 0.00 N ATOM 0 H ARG A 16 -9.505 -0.290 0.338 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.172 -0.583 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.027 -1.079 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.014 0.672 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.505 0.189 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.636 0.385 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.221 -2.210 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.624 -2.190 4.892 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.821 -1.770 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.062 -1.730 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.699 -1.611 3.689 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.537 -1.524 2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.283 -1.495 1.933 1.00 0.00 H new TER 279 ARG A 16