USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=1 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 H3 : 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= -0.275 (180deg=-0.275) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.814 K(o=-0.81,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.030 -1.208 -1.145 1.00 0.00 N ATOM 2 CA GLY A 1 -9.503 -2.501 -0.660 1.00 0.00 C ATOM 3 C GLY A 1 -8.337 -3.458 -0.436 1.00 0.00 C ATOM 4 O GLY A 1 -8.494 -4.504 0.195 1.00 0.00 O ATOM 0 H2 GLY A 1 -9.841 -0.574 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.052 -2.366 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.199 -2.932 -1.380 1.00 0.00 H new ATOM 8 N SER A 2 -7.169 -3.095 -0.957 1.00 0.00 N ATOM 9 CA SER A 2 -5.984 -3.931 -0.805 1.00 0.00 C ATOM 10 C SER A 2 -5.197 -3.528 0.437 1.00 0.00 C ATOM 11 O SER A 2 -4.110 -4.047 0.689 1.00 0.00 O ATOM 12 CB SER A 2 -5.093 -3.802 -2.040 1.00 0.00 C ATOM 13 OG SER A 2 -4.407 -5.029 -2.256 1.00 0.00 O ATOM 0 H SER A 2 -7.018 -2.235 -1.484 1.00 0.00 H new ATOM 0 HA SER A 2 -6.306 -4.967 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.696 -3.551 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.377 -2.991 -1.903 1.00 0.00 H new ATOM 0 HG SER A 2 -3.836 -4.949 -3.048 1.00 0.00 H new ATOM 19 N LYS A 3 -5.753 -2.600 1.206 1.00 0.00 N ATOM 20 CA LYS A 3 -5.097 -2.132 2.422 1.00 0.00 C ATOM 21 C LYS A 3 -3.693 -1.625 2.110 1.00 0.00 C ATOM 22 O LYS A 3 -3.137 -1.917 1.052 1.00 0.00 O ATOM 23 CB LYS A 3 -5.013 -3.270 3.442 1.00 0.00 C ATOM 24 CG LYS A 3 -6.423 -3.747 3.797 1.00 0.00 C ATOM 25 CD LYS A 3 -6.939 -2.962 5.005 1.00 0.00 C ATOM 26 CE LYS A 3 -8.455 -3.135 5.121 1.00 0.00 C ATOM 27 NZ LYS A 3 -9.135 -1.904 4.627 1.00 0.00 N ATOM 0 H LYS A 3 -6.652 -2.158 1.011 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.685 -1.314 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.431 -4.096 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.497 -2.930 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.091 -3.607 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.412 -4.814 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.452 -3.314 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.691 -1.906 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.778 -4.000 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.732 -3.325 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.165 -2.021 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.835 -1.088 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.880 -1.742 3.632 1.00 0.00 H new ATOM 41 N ARG A 4 -3.122 -0.865 3.041 1.00 0.00 N ATOM 42 CA ARG A 4 -1.781 -0.326 2.852 1.00 0.00 C ATOM 43 C ARG A 4 -0.795 -1.450 2.555 1.00 0.00 C ATOM 44 O ARG A 4 -0.678 -2.401 3.327 1.00 0.00 O ATOM 45 CB ARG A 4 -1.338 0.427 4.107 1.00 0.00 C ATOM 46 CG ARG A 4 -2.259 1.626 4.339 1.00 0.00 C ATOM 47 CD ARG A 4 -2.817 1.576 5.762 1.00 0.00 C ATOM 48 NE ARG A 4 -3.744 0.458 5.902 1.00 0.00 N ATOM 49 CZ ARG A 4 -4.660 0.441 6.864 1.00 0.00 C ATOM 50 NH1 ARG A 4 -5.480 -0.568 6.966 1.00 0.00 N ATOM 51 NH2 ARG A 4 -4.739 1.435 7.707 1.00 0.00 N ATOM 0 H ARG A 4 -3.563 -0.611 3.925 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.799 0.362 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.365 -0.238 4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.307 0.764 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.709 2.555 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.075 1.616 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.001 1.472 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.327 2.511 5.993 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.688 -0.324 5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.418 -1.344 6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.183 -0.581 7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.098 2.224 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.442 1.422 8.446 1.00 0.00 H new ATOM 65 N PHE A 5 -0.098 -1.337 1.426 1.00 0.00 N ATOM 66 CA PHE A 5 0.865 -2.355 1.031 1.00 0.00 C ATOM 67 C PHE A 5 2.214 -1.733 0.672 1.00 0.00 C ATOM 68 O PHE A 5 2.402 -1.222 -0.432 1.00 0.00 O ATOM 69 CB PHE A 5 0.322 -3.128 -0.171 1.00 0.00 C ATOM 70 CG PHE A 5 0.204 -4.591 0.181 1.00 0.00 C ATOM 71 CD1 PHE A 5 1.182 -5.496 -0.250 1.00 0.00 C ATOM 72 CD2 PHE A 5 -0.885 -5.044 0.936 1.00 0.00 C ATOM 73 CE1 PHE A 5 1.071 -6.853 0.075 1.00 0.00 C ATOM 74 CE2 PHE A 5 -0.995 -6.401 1.262 1.00 0.00 C ATOM 75 CZ PHE A 5 -0.017 -7.305 0.831 1.00 0.00 C ATOM 0 H PHE A 5 -0.183 -0.556 0.775 1.00 0.00 H new ATOM 0 HA PHE A 5 1.015 -3.030 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.652 -2.733 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.985 -3.002 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.022 -5.147 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.640 -4.346 1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.825 -7.551 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.834 -6.750 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.102 -8.352 1.082 1.00 0.00 H new ATOM 85 N ARG A 6 3.154 -1.791 1.612 1.00 0.00 N ATOM 86 CA ARG A 6 4.487 -1.247 1.392 1.00 0.00 C ATOM 87 C ARG A 6 5.094 -1.844 0.123 1.00 0.00 C ATOM 88 O ARG A 6 4.648 -2.888 -0.352 1.00 0.00 O ATOM 89 CB ARG A 6 5.368 -1.577 2.599 1.00 0.00 C ATOM 90 CG ARG A 6 5.723 -0.292 3.354 1.00 0.00 C ATOM 91 CD ARG A 6 6.385 -0.651 4.685 1.00 0.00 C ATOM 92 NE ARG A 6 6.778 0.560 5.395 1.00 0.00 N ATOM 93 CZ ARG A 6 7.444 0.499 6.544 1.00 0.00 C ATOM 94 NH1 ARG A 6 7.784 1.598 7.161 1.00 0.00 N ATOM 95 NH2 ARG A 6 7.755 -0.660 7.056 1.00 0.00 N ATOM 0 H ARG A 6 3.015 -2.209 2.532 1.00 0.00 H new ATOM 0 HA ARG A 6 4.423 -0.166 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.847 -2.267 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.278 -2.078 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.396 0.321 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.824 0.299 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.696 -1.233 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.259 -1.277 4.507 1.00 0.00 H new ATOM 0 HE ARG A 6 6.538 1.471 5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.539 2.504 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.295 1.551 8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.487 -1.519 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.266 -0.708 7.937 1.00 0.00 H new ATOM 109 N PHE A 7 6.108 -1.178 -0.428 1.00 0.00 N ATOM 110 CA PHE A 7 6.750 -1.665 -1.644 1.00 0.00 C ATOM 111 C PHE A 7 8.051 -0.905 -1.935 1.00 0.00 C ATOM 112 O PHE A 7 8.204 -0.345 -3.020 1.00 0.00 O ATOM 113 CB PHE A 7 5.796 -1.485 -2.828 1.00 0.00 C ATOM 114 CG PHE A 7 6.352 -2.197 -4.038 1.00 0.00 C ATOM 115 CD1 PHE A 7 6.921 -1.460 -5.084 1.00 0.00 C ATOM 116 CD2 PHE A 7 6.299 -3.594 -4.115 1.00 0.00 C ATOM 117 CE1 PHE A 7 7.436 -2.118 -6.206 1.00 0.00 C ATOM 118 CE2 PHE A 7 6.815 -4.253 -5.238 1.00 0.00 C ATOM 119 CZ PHE A 7 7.384 -3.516 -6.283 1.00 0.00 C ATOM 0 H PHE A 7 6.497 -0.311 -0.056 1.00 0.00 H new ATOM 0 HA PHE A 7 6.990 -2.719 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.812 -1.883 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.665 -0.425 -3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.962 -0.382 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.860 -4.163 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.874 -1.549 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.774 -5.331 -5.298 1.00 0.00 H new ATOM 0 HZ PHE A 7 7.783 -4.025 -7.148 1.00 0.00 H new HETATM 129 N DPR A 8 8.994 -0.864 -1.013 1.00 0.00 N HETATM 130 CA DPR A 8 10.278 -0.143 -1.250 1.00 0.00 C HETATM 131 CB DPR A 8 11.162 -0.566 -0.076 1.00 0.00 C HETATM 132 CG DPR A 8 10.218 -0.948 1.013 1.00 0.00 C HETATM 133 CD DPR A 8 8.954 -1.475 0.334 1.00 0.00 C HETATM 134 C DPR A 8 10.078 1.374 -1.268 1.00 0.00 C HETATM 135 O DPR A 8 9.166 1.885 -0.618 1.00 0.00 O HETATM 0 HG3 DPR A 8 10.658 -1.710 1.657 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.989 -0.090 1.645 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.056 -1.183 0.879 1.00 0.00 H new HETATM 0 HD2 DPR A 8 8.954 -2.564 0.279 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.805 -1.402 -0.350 1.00 0.00 H new HETATM 0 HB2 DPR A 8 11.815 0.249 0.238 1.00 0.00 H new HETATM 0 HA DPR A 8 10.715 -0.388 -2.218 1.00 0.00 H new ATOM 143 N PRO A 9 10.894 2.105 -1.992 1.00 0.00 N ATOM 144 CA PRO A 9 10.769 3.590 -2.072 1.00 0.00 C ATOM 145 C PRO A 9 9.342 4.027 -2.384 1.00 0.00 C ATOM 146 O PRO A 9 9.024 5.216 -2.348 1.00 0.00 O ATOM 147 CB PRO A 9 11.727 3.983 -3.199 1.00 0.00 C ATOM 148 CG PRO A 9 12.732 2.882 -3.265 1.00 0.00 C ATOM 149 CD PRO A 9 12.018 1.610 -2.806 1.00 0.00 C ATOM 0 HA PRO A 9 11.010 4.072 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.198 4.089 -4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.206 4.940 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.115 2.767 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.587 3.099 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.668 1.021 -3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.680 0.969 -2.224 1.00 0.00 H new ATOM 157 N GLU A 10 8.489 3.052 -2.675 1.00 0.00 N ATOM 158 CA GLU A 10 7.089 3.327 -2.981 1.00 0.00 C ATOM 159 C GLU A 10 6.187 2.529 -2.045 1.00 0.00 C ATOM 160 O GLU A 10 6.568 1.460 -1.567 1.00 0.00 O ATOM 161 CB GLU A 10 6.782 2.952 -4.433 1.00 0.00 C ATOM 162 CG GLU A 10 7.923 3.425 -5.336 1.00 0.00 C ATOM 163 CD GLU A 10 8.876 2.269 -5.622 1.00 0.00 C ATOM 164 OE1 GLU A 10 8.491 1.380 -6.363 1.00 0.00 O ATOM 165 OE2 GLU A 10 9.976 2.290 -5.096 1.00 0.00 O ATOM 0 H GLU A 10 8.741 2.064 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 10 6.903 4.392 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.657 1.873 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.843 3.408 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.520 3.815 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.463 4.242 -4.856 1.00 0.00 H new ATOM 172 N ILE A 11 4.995 3.051 -1.782 1.00 0.00 N ATOM 173 CA ILE A 11 4.061 2.368 -0.894 1.00 0.00 C ATOM 174 C ILE A 11 2.624 2.564 -1.359 1.00 0.00 C ATOM 175 O ILE A 11 2.280 3.601 -1.926 1.00 0.00 O ATOM 176 CB ILE A 11 4.220 2.893 0.535 1.00 0.00 C ATOM 177 CG1 ILE A 11 3.981 4.406 0.560 1.00 0.00 C ATOM 178 CG2 ILE A 11 5.636 2.597 1.033 1.00 0.00 C ATOM 179 CD1 ILE A 11 4.099 4.917 1.997 1.00 0.00 C ATOM 0 H ILE A 11 4.655 3.933 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 11 4.287 1.302 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 11 3.493 2.400 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.707 4.910 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.993 4.636 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.749 2.971 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.809 1.521 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.360 3.088 0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.929 5.994 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.356 4.422 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.097 4.701 2.379 1.00 0.00 H new ATOM 191 N ILE A 12 1.788 1.562 -1.108 1.00 0.00 N ATOM 192 CA ILE A 12 0.388 1.634 -1.498 1.00 0.00 C ATOM 193 C ILE A 12 -0.450 2.155 -0.337 1.00 0.00 C ATOM 194 O ILE A 12 -1.459 1.555 0.031 1.00 0.00 O ATOM 195 CB ILE A 12 -0.114 0.251 -1.915 1.00 0.00 C ATOM 196 CG1 ILE A 12 0.699 -0.242 -3.117 1.00 0.00 C ATOM 197 CG2 ILE A 12 -1.591 0.339 -2.299 1.00 0.00 C ATOM 198 CD1 ILE A 12 0.355 -1.704 -3.407 1.00 0.00 C ATOM 0 H ILE A 12 2.055 0.696 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 12 0.294 2.317 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 12 0.003 -0.446 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.483 0.373 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.765 -0.143 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.949 -0.647 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.169 0.692 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.710 1.034 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.935 -2.051 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.593 -2.314 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.708 -1.790 -3.630 1.00 0.00 H new ATOM 210 N PHE A 13 -0.018 3.275 0.234 1.00 0.00 N ATOM 211 CA PHE A 13 -0.730 3.877 1.353 1.00 0.00 C ATOM 212 C PHE A 13 -1.926 4.681 0.852 1.00 0.00 C ATOM 213 O PHE A 13 -1.896 5.911 0.825 1.00 0.00 O ATOM 214 CB PHE A 13 0.217 4.787 2.140 1.00 0.00 C ATOM 215 CG PHE A 13 0.848 4.009 3.272 1.00 0.00 C ATOM 216 CD1 PHE A 13 0.906 4.570 4.554 1.00 0.00 C ATOM 217 CD2 PHE A 13 1.377 2.732 3.043 1.00 0.00 C ATOM 218 CE1 PHE A 13 1.492 3.855 5.606 1.00 0.00 C ATOM 219 CE2 PHE A 13 1.963 2.017 4.095 1.00 0.00 C ATOM 220 CZ PHE A 13 2.019 2.580 5.377 1.00 0.00 C ATOM 0 H PHE A 13 0.818 3.781 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.093 3.083 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.991 5.180 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.330 5.643 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.499 5.554 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.333 2.299 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.537 4.288 6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.371 1.033 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.470 2.029 6.189 1.00 0.00 H new ATOM 230 N ASN A 14 -2.978 3.975 0.452 1.00 0.00 N ATOM 231 CA ASN A 14 -4.179 4.631 -0.051 1.00 0.00 C ATOM 232 C ASN A 14 -5.425 3.849 0.355 1.00 0.00 C ATOM 233 O ASN A 14 -5.475 3.260 1.435 1.00 0.00 O ATOM 234 CB ASN A 14 -4.115 4.740 -1.576 1.00 0.00 C ATOM 235 CG ASN A 14 -2.668 4.908 -2.026 1.00 0.00 C ATOM 236 OD1 ASN A 14 -1.974 3.921 -2.268 1.00 0.00 O ATOM 237 ND2 ASN A 14 -2.169 6.107 -2.156 1.00 0.00 N ATOM 0 H ASN A 14 -3.024 2.956 0.466 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.234 5.630 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.545 3.848 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.710 5.588 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.202 6.227 -2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.746 6.924 -1.955 1.00 0.00 H new ATOM 244 N GLU A 15 -6.428 3.850 -0.517 1.00 0.00 N ATOM 245 CA GLU A 15 -7.668 3.137 -0.237 1.00 0.00 C ATOM 246 C GLU A 15 -8.233 2.521 -1.512 1.00 0.00 C ATOM 247 O GLU A 15 -8.774 3.223 -2.366 1.00 0.00 O ATOM 248 CB GLU A 15 -8.695 4.097 0.369 1.00 0.00 C ATOM 249 CG GLU A 15 -7.978 5.138 1.231 1.00 0.00 C ATOM 250 CD GLU A 15 -8.998 5.997 1.970 1.00 0.00 C ATOM 251 OE1 GLU A 15 -10.002 6.339 1.368 1.00 0.00 O ATOM 252 OE2 GLU A 15 -8.760 6.300 3.128 1.00 0.00 O ATOM 0 H GLU A 15 -6.407 4.332 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.454 2.338 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.258 4.591 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.414 3.543 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.323 4.641 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.346 5.768 0.605 1.00 0.00 H new ATOM 259 N ARG A 16 -8.105 1.203 -1.635 1.00 0.00 N ATOM 260 CA ARG A 16 -8.606 0.502 -2.811 1.00 0.00 C ATOM 261 C ARG A 16 -9.138 -0.876 -2.427 1.00 0.00 C ATOM 262 O ARG A 16 -9.633 -1.619 -3.274 1.00 0.00 O ATOM 263 CB ARG A 16 -7.490 0.348 -3.846 1.00 0.00 C ATOM 264 CG ARG A 16 -6.528 -0.755 -3.397 1.00 0.00 C ATOM 265 CD ARG A 16 -5.131 -0.474 -3.952 1.00 0.00 C ATOM 266 NE ARG A 16 -5.164 -0.432 -5.411 1.00 0.00 N ATOM 267 CZ ARG A 16 -5.086 -1.547 -6.130 1.00 0.00 C ATOM 268 NH1 ARG A 16 -5.113 -1.487 -7.433 1.00 0.00 N ATOM 269 NH2 ARG A 16 -4.982 -2.702 -5.531 1.00 0.00 N ATOM 0 H ARG A 16 -7.662 0.603 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.419 1.088 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.914 0.102 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.953 1.290 -3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.495 -0.802 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.881 -1.725 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.762 0.475 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.438 -1.247 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.248 0.467 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.194 -0.584 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.053 -2.343 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.961 -2.748 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.922 -3.559 -6.082 1.00 0.00 H new TER 283 ARG A 16