USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 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+ -145:sc= -1.96! (180deg=-6.21!) USER MOD Single : A 2 SER OG : rot -67:sc= 1.09 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.906! K(o=-0.91!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.521 -1.312 -6.167 1.00 0.00 N ATOM 2 CA GLY A 1 -6.564 -2.115 -5.536 1.00 0.00 C ATOM 3 C GLY A 1 -6.925 -1.562 -4.160 1.00 0.00 C ATOM 4 O GLY A 1 -7.698 -0.610 -4.049 1.00 0.00 O ATOM 0 H3 GLY A 1 -5.684 -1.276 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.451 -2.129 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.225 -3.146 -5.440 1.00 0.00 H new ATOM 8 N SER A 2 -6.362 -2.162 -3.113 1.00 0.00 N ATOM 9 CA SER A 2 -6.639 -1.712 -1.753 1.00 0.00 C ATOM 10 C SER A 2 -5.815 -2.506 -0.742 1.00 0.00 C ATOM 11 O SER A 2 -6.218 -2.669 0.409 1.00 0.00 O ATOM 12 CB SER A 2 -8.127 -1.881 -1.441 1.00 0.00 C ATOM 13 OG SER A 2 -8.336 -1.710 -0.046 1.00 0.00 O ATOM 0 H SER A 2 -5.719 -2.951 -3.179 1.00 0.00 H new ATOM 0 HA SER A 2 -6.366 -0.659 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.713 -1.152 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.466 -2.869 -1.753 1.00 0.00 H new ATOM 0 HG SER A 2 -7.916 -2.450 0.441 1.00 0.00 H new ATOM 19 N LYS A 3 -4.658 -2.995 -1.178 1.00 0.00 N ATOM 20 CA LYS A 3 -3.786 -3.767 -0.299 1.00 0.00 C ATOM 21 C LYS A 3 -2.634 -2.902 0.202 1.00 0.00 C ATOM 22 O LYS A 3 -1.704 -2.600 -0.545 1.00 0.00 O ATOM 23 CB LYS A 3 -3.229 -4.979 -1.048 1.00 0.00 C ATOM 24 CG LYS A 3 -3.439 -6.241 -0.209 1.00 0.00 C ATOM 25 CD LYS A 3 -2.700 -7.413 -0.857 1.00 0.00 C ATOM 26 CE LYS A 3 -3.032 -8.705 -0.107 1.00 0.00 C ATOM 27 NZ LYS A 3 -1.808 -9.549 -0.006 1.00 0.00 N ATOM 0 H LYS A 3 -4.304 -2.872 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.370 -4.107 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.727 -5.084 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.167 -4.837 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.072 -6.082 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.503 -6.466 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.988 -7.504 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.625 -7.234 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.410 -8.473 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.820 -9.249 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.033 -10.427 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.466 -9.780 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.069 -9.029 0.510 1.00 0.00 H new ATOM 41 N ARG A 4 -2.703 -2.503 1.469 1.00 0.00 N ATOM 42 CA ARG A 4 -1.658 -1.671 2.052 1.00 0.00 C ATOM 43 C ARG A 4 -0.354 -2.448 2.166 1.00 0.00 C ATOM 44 O ARG A 4 -0.038 -2.996 3.223 1.00 0.00 O ATOM 45 CB ARG A 4 -2.086 -1.179 3.436 1.00 0.00 C ATOM 46 CG ARG A 4 -2.951 0.073 3.285 1.00 0.00 C ATOM 47 CD ARG A 4 -3.792 0.267 4.548 1.00 0.00 C ATOM 48 NE ARG A 4 -4.679 -0.874 4.744 1.00 0.00 N ATOM 49 CZ ARG A 4 -5.178 -1.157 5.943 1.00 0.00 C ATOM 50 NH1 ARG A 4 -5.968 -2.184 6.094 1.00 0.00 N ATOM 51 NH2 ARG A 4 -4.878 -0.407 6.968 1.00 0.00 N ATOM 0 H ARG A 4 -3.464 -2.740 2.105 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.500 -0.814 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.643 -1.959 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.208 -0.957 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.320 0.946 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.600 -0.023 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.140 0.382 5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.378 1.182 4.466 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.920 -1.464 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.202 -2.769 5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.351 -2.402 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.261 0.396 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.261 -0.624 7.888 1.00 0.00 H new ATOM 65 N PHE A 5 0.398 -2.488 1.070 1.00 0.00 N ATOM 66 CA PHE A 5 1.671 -3.197 1.047 1.00 0.00 C ATOM 67 C PHE A 5 2.827 -2.210 0.873 1.00 0.00 C ATOM 68 O PHE A 5 3.288 -1.954 -0.240 1.00 0.00 O ATOM 69 CB PHE A 5 1.666 -4.232 -0.085 1.00 0.00 C ATOM 70 CG PHE A 5 1.932 -5.602 0.491 1.00 0.00 C ATOM 71 CD1 PHE A 5 0.883 -6.342 1.050 1.00 0.00 C ATOM 72 CD2 PHE A 5 3.227 -6.132 0.466 1.00 0.00 C ATOM 73 CE1 PHE A 5 1.130 -7.612 1.585 1.00 0.00 C ATOM 74 CE2 PHE A 5 3.474 -7.402 1.001 1.00 0.00 C ATOM 75 CZ PHE A 5 2.425 -8.142 1.560 1.00 0.00 C ATOM 0 H PHE A 5 0.148 -2.039 0.189 1.00 0.00 H new ATOM 0 HA PHE A 5 1.809 -3.716 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.705 -4.221 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.426 -3.982 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.116 -5.933 1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.036 -5.561 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.321 -8.183 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.473 -7.811 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.615 -9.122 1.972 1.00 0.00 H new ATOM 85 N ARG A 6 3.284 -1.653 1.988 1.00 0.00 N ATOM 86 CA ARG A 6 4.380 -0.696 1.960 1.00 0.00 C ATOM 87 C ARG A 6 5.666 -1.374 1.495 1.00 0.00 C ATOM 88 O ARG A 6 5.853 -2.573 1.698 1.00 0.00 O ATOM 89 CB ARG A 6 4.579 -0.109 3.358 1.00 0.00 C ATOM 90 CG ARG A 6 4.209 1.375 3.349 1.00 0.00 C ATOM 91 CD ARG A 6 4.370 1.951 4.757 1.00 0.00 C ATOM 92 NE ARG A 6 3.581 1.180 5.711 1.00 0.00 N ATOM 93 CZ ARG A 6 3.882 1.178 7.006 1.00 0.00 C ATOM 94 NH1 ARG A 6 3.164 0.477 7.842 1.00 0.00 N ATOM 95 NH2 ARG A 6 4.895 1.875 7.442 1.00 0.00 N ATOM 0 H ARG A 6 2.914 -1.847 2.918 1.00 0.00 H new ATOM 0 HA ARG A 6 4.136 0.103 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.961 -0.644 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.615 -0.234 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.846 1.915 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.182 1.502 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.421 1.935 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.052 2.993 4.770 1.00 0.00 H new ATOM 0 HE ARG A 6 2.786 0.634 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.373 -0.069 7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.395 0.475 8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.456 2.422 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.125 1.873 8.436 1.00 0.00 H new ATOM 109 N PHE A 7 6.546 -0.601 0.866 1.00 0.00 N ATOM 110 CA PHE A 7 7.806 -1.144 0.372 1.00 0.00 C ATOM 111 C PHE A 7 8.858 -0.042 0.194 1.00 0.00 C ATOM 112 O PHE A 7 9.653 -0.097 -0.743 1.00 0.00 O ATOM 113 CB PHE A 7 7.571 -1.837 -0.973 1.00 0.00 C ATOM 114 CG PHE A 7 8.720 -2.772 -1.267 1.00 0.00 C ATOM 115 CD1 PHE A 7 9.684 -2.420 -2.219 1.00 0.00 C ATOM 116 CD2 PHE A 7 8.820 -3.993 -0.589 1.00 0.00 C ATOM 117 CE1 PHE A 7 10.748 -3.287 -2.493 1.00 0.00 C ATOM 118 CE2 PHE A 7 9.884 -4.860 -0.863 1.00 0.00 C ATOM 119 CZ PHE A 7 10.848 -4.508 -1.815 1.00 0.00 C ATOM 0 H PHE A 7 6.412 0.394 0.688 1.00 0.00 H new ATOM 0 HA PHE A 7 8.177 -1.859 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.634 -2.393 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.481 -1.094 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.607 -1.479 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.076 -4.266 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.492 -3.014 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.961 -5.801 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 7 11.668 -5.178 -2.026 1.00 0.00 H new HETATM 129 N DPR A 8 8.889 0.950 1.058 1.00 0.00 N HETATM 130 CA DPR A 8 9.886 2.060 0.950 1.00 0.00 C HETATM 131 CB DPR A 8 9.554 2.983 2.129 1.00 0.00 C HETATM 132 CG DPR A 8 8.729 2.170 3.069 1.00 0.00 C HETATM 133 CD DPR A 8 7.997 1.136 2.219 1.00 0.00 C HETATM 134 C DPR A 8 9.750 2.828 -0.377 1.00 0.00 C HETATM 135 O DPR A 8 8.692 3.397 -0.647 1.00 0.00 O HETATM 0 HG3 DPR A 8 9.357 1.684 3.816 1.00 0.00 H new HETATM 0 HG2 DPR A 8 8.022 2.800 3.609 1.00 0.00 H new HETATM 0 HD3 DPR A 8 7.012 1.491 1.916 1.00 0.00 H new HETATM 0 HD2 DPR A 8 7.846 0.203 2.763 1.00 0.00 H new HETATM 0 HB3 DPR A 8 10.463 3.338 2.615 1.00 0.00 H new HETATM 0 HB2 DPR A 8 9.008 3.864 1.793 1.00 0.00 H new HETATM 0 HA DPR A 8 10.908 1.682 0.972 1.00 0.00 H new ATOM 143 N PRO A 9 10.775 2.870 -1.210 1.00 0.00 N ATOM 144 CA PRO A 9 10.710 3.599 -2.510 1.00 0.00 C ATOM 145 C PRO A 9 9.406 3.346 -3.261 1.00 0.00 C ATOM 146 O PRO A 9 9.083 4.047 -4.220 1.00 0.00 O ATOM 147 CB PRO A 9 11.902 3.056 -3.297 1.00 0.00 C ATOM 148 CG PRO A 9 12.887 2.599 -2.274 1.00 0.00 C ATOM 149 CD PRO A 9 12.098 2.242 -1.012 1.00 0.00 C ATOM 0 HA PRO A 9 10.743 4.679 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.601 2.233 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.332 3.826 -3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.445 1.735 -2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.615 3.383 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.010 1.162 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.588 2.624 -0.117 1.00 0.00 H new ATOM 157 N GLU A 10 8.666 2.343 -2.814 1.00 0.00 N ATOM 158 CA GLU A 10 7.394 2.000 -3.442 1.00 0.00 C ATOM 159 C GLU A 10 6.328 1.749 -2.382 1.00 0.00 C ATOM 160 O GLU A 10 6.618 1.215 -1.310 1.00 0.00 O ATOM 161 CB GLU A 10 7.557 0.748 -4.310 1.00 0.00 C ATOM 162 CG GLU A 10 8.346 1.096 -5.575 1.00 0.00 C ATOM 163 CD GLU A 10 9.440 0.059 -5.808 1.00 0.00 C ATOM 164 OE1 GLU A 10 10.571 0.459 -6.026 1.00 0.00 O ATOM 165 OE2 GLU A 10 9.130 -1.121 -5.764 1.00 0.00 O ATOM 0 H GLU A 10 8.921 1.753 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 10 7.082 2.836 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.075 -0.030 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.578 0.350 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.676 1.129 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.788 2.088 -5.477 1.00 0.00 H new ATOM 172 N ILE A 11 5.094 2.140 -2.685 1.00 0.00 N ATOM 173 CA ILE A 11 3.995 1.954 -1.746 1.00 0.00 C ATOM 174 C ILE A 11 2.725 1.532 -2.476 1.00 0.00 C ATOM 175 O ILE A 11 2.371 2.106 -3.506 1.00 0.00 O ATOM 176 CB ILE A 11 3.736 3.254 -0.985 1.00 0.00 C ATOM 177 CG1 ILE A 11 2.667 3.013 0.083 1.00 0.00 C ATOM 178 CG2 ILE A 11 3.249 4.326 -1.959 1.00 0.00 C ATOM 179 CD1 ILE A 11 2.540 4.253 0.969 1.00 0.00 C ATOM 0 H ILE A 11 4.832 2.584 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 11 4.274 1.167 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 11 4.658 3.587 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.710 2.791 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.932 2.146 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.064 5.253 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.009 4.497 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.326 3.994 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.778 4.080 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.496 4.454 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.255 5.109 0.358 1.00 0.00 H new ATOM 191 N ILE A 12 2.042 0.532 -1.929 1.00 0.00 N ATOM 192 CA ILE A 12 0.805 0.041 -2.527 1.00 0.00 C ATOM 193 C ILE A 12 -0.390 0.469 -1.685 1.00 0.00 C ATOM 194 O ILE A 12 -1.135 -0.367 -1.172 1.00 0.00 O ATOM 195 CB ILE A 12 0.841 -1.485 -2.632 1.00 0.00 C ATOM 196 CG1 ILE A 12 2.148 -1.918 -3.302 1.00 0.00 C ATOM 197 CG2 ILE A 12 -0.347 -1.966 -3.469 1.00 0.00 C ATOM 198 CD1 ILE A 12 2.165 -3.440 -3.460 1.00 0.00 C ATOM 0 H ILE A 12 2.322 0.047 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 12 0.708 0.466 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 12 0.782 -1.921 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.244 -1.440 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.000 -1.595 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.322 -3.053 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.277 -1.656 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.289 -1.532 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.096 -3.746 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.089 -3.909 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.322 -3.751 -4.077 1.00 0.00 H new ATOM 210 N PHE A 13 -0.562 1.779 -1.542 1.00 0.00 N ATOM 211 CA PHE A 13 -1.665 2.316 -0.755 1.00 0.00 C ATOM 212 C PHE A 13 -2.897 2.528 -1.631 1.00 0.00 C ATOM 213 O PHE A 13 -2.872 2.235 -2.826 1.00 0.00 O ATOM 214 CB PHE A 13 -1.243 3.641 -0.115 1.00 0.00 C ATOM 215 CG PHE A 13 -1.051 3.443 1.372 1.00 0.00 C ATOM 216 CD1 PHE A 13 -1.699 4.289 2.281 1.00 0.00 C ATOM 217 CD2 PHE A 13 -0.223 2.414 1.842 1.00 0.00 C ATOM 218 CE1 PHE A 13 -1.522 4.107 3.657 1.00 0.00 C ATOM 219 CE2 PHE A 13 -0.045 2.234 3.219 1.00 0.00 C ATOM 220 CZ PHE A 13 -0.695 3.079 4.127 1.00 0.00 C ATOM 0 H PHE A 13 0.045 2.485 -1.959 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.918 1.601 0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.318 3.998 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.001 4.403 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.336 5.083 1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.277 1.761 1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.023 4.759 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.594 1.443 3.581 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.559 2.938 5.189 1.00 0.00 H new ATOM 230 N ASN A 14 -3.970 3.028 -1.024 1.00 0.00 N ATOM 231 CA ASN A 14 -5.216 3.271 -1.749 1.00 0.00 C ATOM 232 C ASN A 14 -4.935 3.792 -3.156 1.00 0.00 C ATOM 233 O ASN A 14 -4.828 4.999 -3.374 1.00 0.00 O ATOM 234 CB ASN A 14 -6.069 4.290 -0.991 1.00 0.00 C ATOM 235 CG ASN A 14 -7.294 4.664 -1.818 1.00 0.00 C ATOM 236 OD1 ASN A 14 -8.403 4.220 -1.520 1.00 0.00 O ATOM 237 ND2 ASN A 14 -7.160 5.459 -2.845 1.00 0.00 N ATOM 0 H ASN A 14 -4.003 3.273 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.754 2.326 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.380 3.875 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.480 5.181 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.975 5.714 -3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.240 5.825 -3.090 1.00 0.00 H new ATOM 244 N GLU A 15 -4.818 2.870 -4.108 1.00 0.00 N ATOM 245 CA GLU A 15 -4.552 3.241 -5.493 1.00 0.00 C ATOM 246 C GLU A 15 -5.095 2.181 -6.442 1.00 0.00 C ATOM 247 O GLU A 15 -6.283 2.166 -6.764 1.00 0.00 O ATOM 248 CB GLU A 15 -3.044 3.406 -5.714 1.00 0.00 C ATOM 249 CG GLU A 15 -2.524 4.591 -4.896 1.00 0.00 C ATOM 250 CD GLU A 15 -1.131 4.981 -5.375 1.00 0.00 C ATOM 251 OE1 GLU A 15 -0.324 5.362 -4.541 1.00 0.00 O ATOM 252 OE2 GLU A 15 -0.889 4.894 -6.567 1.00 0.00 O ATOM 0 H GLU A 15 -4.903 1.866 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.052 4.188 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.523 2.494 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.838 3.565 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.203 5.438 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.494 4.329 -3.838 1.00 0.00 H new ATOM 259 N ARG A 16 -4.213 1.300 -6.885 1.00 0.00 N ATOM 260 CA ARG A 16 -4.600 0.231 -7.802 1.00 0.00 C ATOM 261 C ARG A 16 -5.776 -0.561 -7.235 1.00 0.00 C ATOM 262 O ARG A 16 -6.888 -0.492 -7.758 1.00 0.00 O ATOM 263 CB ARG A 16 -3.413 -0.710 -8.048 1.00 0.00 C ATOM 264 CG ARG A 16 -3.523 -1.330 -9.445 1.00 0.00 C ATOM 265 CD ARG A 16 -4.823 -2.128 -9.560 1.00 0.00 C ATOM 266 NE ARG A 16 -5.034 -2.933 -8.361 1.00 0.00 N ATOM 267 CZ ARG A 16 -4.470 -4.129 -8.228 1.00 0.00 C ATOM 268 NH1 ARG A 16 -4.673 -4.830 -7.147 1.00 0.00 N ATOM 269 NH2 ARG A 16 -3.711 -4.602 -9.179 1.00 0.00 N ATOM 0 H ARG A 16 -3.226 1.300 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.902 0.682 -8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.476 -0.160 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.397 -1.495 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.499 -0.547 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.669 -1.981 -9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.663 -1.448 -9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.784 -2.774 -10.437 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.625 -2.571 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.265 -4.460 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.240 -5.748 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.551 -4.054 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.278 -5.520 -9.077 1.00 0.00 H new TER 283 ARG A 16