USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 273 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.44) USER MOD Single : A 275 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 265 -12.588 -3.856 -1.589 1.00 0.00 N ATOM 39 CA PHE A 265 -11.484 -2.898 -1.622 1.00 0.00 C ATOM 40 C PHE A 265 -10.522 -3.198 -2.748 1.00 0.00 C ATOM 41 O PHE A 265 -9.307 -2.976 -2.637 1.00 0.00 O ATOM 42 CB PHE A 265 -10.704 -2.942 -0.272 1.00 0.00 C ATOM 43 CG PHE A 265 -9.863 -4.198 0.001 1.00 0.00 C ATOM 44 CD1 PHE A 265 -9.888 -5.286 -0.873 1.00 0.00 C ATOM 45 CD2 PHE A 265 -9.085 -4.265 1.164 1.00 0.00 C ATOM 46 CE1 PHE A 265 -9.112 -6.412 -0.610 1.00 0.00 C ATOM 47 CE2 PHE A 265 -8.321 -5.395 1.432 1.00 0.00 C ATOM 48 CZ PHE A 265 -8.337 -6.470 0.547 1.00 0.00 C ATOM 0 HA PHE A 265 -11.912 -1.909 -1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 265 -10.044 -2.076 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 265 -11.423 -2.832 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 265 -10.510 -5.255 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 265 -9.079 -3.435 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 265 -9.111 -7.241 -1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 265 -7.716 -5.439 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 265 -7.748 -7.350 0.758 1.00 0.00 H new ATOM 58 N GLU A 266 -11.036 -3.706 -3.853 1.00 0.00 N ATOM 59 CA GLU A 266 -10.239 -3.886 -5.065 1.00 0.00 C ATOM 60 C GLU A 266 -9.467 -2.633 -5.403 1.00 0.00 C ATOM 61 O GLU A 266 -8.240 -2.609 -5.400 1.00 0.00 O ATOM 62 CB GLU A 266 -11.188 -4.292 -6.229 1.00 0.00 C ATOM 63 CG GLU A 266 -10.680 -4.042 -7.688 1.00 0.00 C ATOM 64 CD GLU A 266 -10.876 -5.149 -8.727 1.00 0.00 C ATOM 65 OE1 GLU A 266 -10.077 -6.063 -8.886 1.00 0.00 O ATOM 66 OE2 GLU A 266 -12.019 -5.020 -9.456 1.00 0.00 O ATOM 0 H GLU A 266 -12.007 -4.005 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 266 -9.505 -4.675 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 266 -11.412 -5.354 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 266 -12.127 -3.754 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 266 -11.173 -3.145 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 266 -9.614 -3.821 -7.635 1.00 0.00 H new ATOM 73 N PRO A 267 -10.187 -1.566 -5.703 1.00 0.00 N ATOM 74 CA PRO A 267 -9.642 -0.208 -6.150 1.00 0.00 C ATOM 75 C PRO A 267 -8.951 0.601 -5.074 1.00 0.00 C ATOM 76 O PRO A 267 -8.091 1.449 -5.359 1.00 0.00 O ATOM 77 CB PRO A 267 -10.843 0.584 -6.649 1.00 0.00 C ATOM 78 CG PRO A 267 -11.967 0.038 -5.755 1.00 0.00 C ATOM 79 CD PRO A 267 -11.665 -1.462 -5.669 1.00 0.00 C ATOM 0 HA PRO A 267 -8.876 -0.394 -6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -10.706 1.658 -6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -11.039 0.408 -7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -11.959 0.505 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -12.950 0.225 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -12.069 -1.893 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -12.117 -2.002 -6.501 1.00 0.00 H new ATOM 87 N LEU A 268 -9.319 0.383 -3.826 1.00 0.00 N ATOM 88 CA LEU A 268 -8.663 1.032 -2.694 1.00 0.00 C ATOM 89 C LEU A 268 -7.245 0.546 -2.491 1.00 0.00 C ATOM 90 O LEU A 268 -6.445 1.190 -1.787 1.00 0.00 O ATOM 91 CB LEU A 268 -9.501 0.825 -1.397 1.00 0.00 C ATOM 92 CG LEU A 268 -9.346 1.866 -0.256 1.00 0.00 C ATOM 93 CD1 LEU A 268 -10.176 3.119 -0.568 1.00 0.00 C ATOM 94 CD2 LEU A 268 -9.749 1.306 1.118 1.00 0.00 C ATOM 0 H LEU A 268 -10.078 -0.246 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 268 -8.604 2.096 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 268 -10.553 0.794 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 268 -9.251 -0.155 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 268 -8.288 2.122 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 268 -10.060 3.843 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 268 -9.831 3.560 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 268 -11.227 2.845 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 268 -9.620 2.077 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 268 -10.793 0.993 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 268 -9.120 0.450 1.361 1.00 0.00 H new ATOM 106 N VAL A 269 -6.898 -0.594 -3.056 1.00 0.00 N ATOM 107 CA VAL A 269 -5.595 -1.214 -2.823 1.00 0.00 C ATOM 108 C VAL A 269 -4.492 -0.493 -3.564 1.00 0.00 C ATOM 109 O VAL A 269 -3.314 -0.547 -3.176 1.00 0.00 O ATOM 110 CB VAL A 269 -5.645 -2.737 -3.247 1.00 0.00 C ATOM 111 CG1 VAL A 269 -5.412 -3.042 -4.752 1.00 0.00 C ATOM 112 CG2 VAL A 269 -4.636 -3.633 -2.487 1.00 0.00 C ATOM 0 H VAL A 269 -7.503 -1.119 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 269 -5.371 -1.142 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 269 -6.677 -2.970 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.470 -4.118 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -6.175 -2.541 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.427 -2.682 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -4.731 -4.662 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -3.622 -3.279 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -4.844 -3.589 -1.418 1.00 0.00 H new ATOM 122 N GLU A 270 -4.832 0.166 -4.655 1.00 0.00 N ATOM 123 CA GLU A 270 -3.859 0.922 -5.440 1.00 0.00 C ATOM 124 C GLU A 270 -3.428 2.174 -4.711 1.00 0.00 C ATOM 125 O GLU A 270 -2.270 2.605 -4.788 1.00 0.00 O ATOM 126 CB GLU A 270 -4.492 1.264 -6.818 1.00 0.00 C ATOM 127 CG GLU A 270 -3.930 0.514 -8.071 1.00 0.00 C ATOM 128 CD GLU A 270 -4.601 0.755 -9.425 1.00 0.00 C ATOM 129 OE1 GLU A 270 -5.682 0.268 -9.730 1.00 0.00 O ATOM 130 OE2 GLU A 270 -3.884 1.561 -10.257 1.00 0.00 O ATOM 0 H GLU A 270 -5.782 0.196 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 270 -2.964 0.319 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 270 -5.562 1.064 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 270 -4.377 2.335 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 270 -2.877 0.777 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 270 -3.973 -0.555 -7.865 1.00 0.00 H new ATOM 137 N ASP A 271 -4.360 2.797 -4.014 1.00 0.00 N ATOM 138 CA ASP A 271 -4.063 3.971 -3.198 1.00 0.00 C ATOM 139 C ASP A 271 -3.201 3.603 -2.013 1.00 0.00 C ATOM 140 O ASP A 271 -2.325 4.364 -1.582 1.00 0.00 O ATOM 141 CB ASP A 271 -5.378 4.670 -2.761 1.00 0.00 C ATOM 142 CG ASP A 271 -5.271 6.140 -2.331 1.00 0.00 C ATOM 143 OD1 ASP A 271 -4.253 6.803 -2.958 1.00 0.00 O ATOM 144 OD2 ASP A 271 -6.016 6.649 -1.507 1.00 0.00 O ATOM 0 H ASP A 271 -5.339 2.510 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 271 -3.493 4.679 -3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -6.086 4.609 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -5.805 4.104 -1.933 1.00 0.00 H new ATOM 149 N MET A 272 -3.454 2.438 -1.446 1.00 0.00 N ATOM 150 CA MET A 272 -2.620 1.899 -0.375 1.00 0.00 C ATOM 151 C MET A 272 -1.220 1.608 -0.863 1.00 0.00 C ATOM 152 O MET A 272 -0.251 1.614 -0.088 1.00 0.00 O ATOM 153 CB MET A 272 -3.280 0.621 0.213 1.00 0.00 C ATOM 154 CG MET A 272 -2.348 -0.379 0.929 1.00 0.00 C ATOM 155 SD MET A 272 -3.044 -2.039 0.823 1.00 0.00 S ATOM 156 CE MET A 272 -2.102 -2.808 2.147 1.00 0.00 C ATOM 0 H MET A 272 -4.236 1.838 -1.709 1.00 0.00 H new ATOM 0 HA MET A 272 -2.540 2.649 0.412 1.00 0.00 H new ATOM 0 HB2 MET A 272 -4.051 0.931 0.918 1.00 0.00 H new ATOM 0 HB3 MET A 272 -3.783 0.095 -0.598 1.00 0.00 H new ATOM 0 HG2 MET A 272 -1.358 -0.359 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 272 -2.224 -0.092 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 272 -2.393 -3.854 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 272 -1.038 -2.746 1.920 1.00 0.00 H new ATOM 0 HE3 MET A 272 -2.303 -2.290 3.085 1.00 0.00 H new ATOM 166 N GLN A 273 -1.083 1.318 -2.143 1.00 0.00 N ATOM 167 CA GLN A 273 0.222 1.042 -2.740 1.00 0.00 C ATOM 168 C GLN A 273 1.021 2.312 -2.921 1.00 0.00 C ATOM 169 O GLN A 273 2.258 2.317 -2.833 1.00 0.00 O ATOM 170 CB GLN A 273 0.004 0.328 -4.092 1.00 0.00 C ATOM 171 CG GLN A 273 0.122 -1.232 -4.074 1.00 0.00 C ATOM 172 CD GLN A 273 1.127 -1.895 -3.124 1.00 0.00 C ATOM 173 OE1 GLN A 273 0.791 -2.271 -2.012 1.00 0.00 O ATOM 174 NE2 GLN A 273 2.364 -2.085 -3.509 1.00 0.00 N ATOM 0 H GLN A 273 -1.863 1.266 -2.799 1.00 0.00 H new ATOM 0 HA GLN A 273 0.796 0.398 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 273 -0.986 0.593 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 273 0.728 0.719 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 273 -0.864 -1.633 -3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 273 0.365 -1.554 -5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 273 2.663 -1.778 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 273 3.029 -2.540 -2.883 1.00 0.00 H new ATOM 183 N ARG A 274 0.340 3.410 -3.191 1.00 0.00 N ATOM 184 CA ARG A 274 1.003 4.673 -3.505 1.00 0.00 C ATOM 185 C ARG A 274 1.831 5.155 -2.338 1.00 0.00 C ATOM 186 O ARG A 274 2.990 5.565 -2.487 1.00 0.00 O ATOM 187 CB ARG A 274 -0.072 5.720 -3.907 1.00 0.00 C ATOM 188 CG ARG A 274 -0.222 5.952 -5.434 1.00 0.00 C ATOM 189 CD ARG A 274 -1.036 7.211 -5.761 1.00 0.00 C ATOM 190 NE ARG A 274 -0.544 7.765 -7.048 1.00 0.00 N ATOM 191 CZ ARG A 274 -0.917 7.358 -8.254 1.00 0.00 C ATOM 192 NH1 ARG A 274 -1.777 6.409 -8.475 1.00 0.00 N ATOM 193 NH2 ARG A 274 -0.389 7.947 -9.268 1.00 0.00 N ATOM 0 H ARG A 274 -0.679 3.458 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 274 1.688 4.526 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 274 -1.035 5.402 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 274 0.173 6.670 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 274 0.767 6.036 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 274 -0.704 5.084 -5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 274 -2.096 6.969 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 274 -0.930 7.948 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 274 0.138 8.522 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 274 -2.214 5.924 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 274 -2.015 6.150 -9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 274 0.289 8.696 -9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 274 -0.648 7.665 -10.213 1.00 0.00 H new ATOM 207 N GLN A 275 1.249 5.129 -1.154 1.00 0.00 N ATOM 208 CA GLN A 275 1.864 5.734 0.026 1.00 0.00 C ATOM 209 C GLN A 275 2.577 4.705 0.872 1.00 0.00 C ATOM 210 O GLN A 275 3.652 4.956 1.433 1.00 0.00 O ATOM 211 CB GLN A 275 0.763 6.448 0.843 1.00 0.00 C ATOM 212 CG GLN A 275 0.249 7.809 0.269 1.00 0.00 C ATOM 213 CD GLN A 275 1.176 9.031 0.293 1.00 0.00 C ATOM 214 OE1 GLN A 275 2.427 8.896 0.651 1.00 0.00 O flip ATOM 215 NE2 GLN A 275 0.773 10.135 -0.040 1.00 0.00 N flip ATOM 0 H GLN A 275 0.344 4.693 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 275 2.617 6.455 -0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 275 -0.087 5.772 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 275 1.142 6.622 1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 275 -0.042 7.639 -0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 275 -0.657 8.074 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 275 -0.199 10.259 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 275 1.409 10.933 -0.036 1.00 0.00 H new ATOM 224 N TRP A 276 2.001 3.522 0.969 1.00 0.00 N ATOM 225 CA TRP A 276 2.477 2.502 1.902 1.00 0.00 C ATOM 226 C TRP A 276 3.642 1.723 1.335 1.00 0.00 C ATOM 227 O TRP A 276 4.432 1.116 2.075 1.00 0.00 O ATOM 228 CB TRP A 276 1.308 1.530 2.226 1.00 0.00 C ATOM 229 CG TRP A 276 1.731 0.079 2.476 1.00 0.00 C ATOM 230 CD1 TRP A 276 1.458 -1.015 1.629 1.00 0.00 C ATOM 231 CD2 TRP A 276 2.429 -0.437 3.548 1.00 0.00 C ATOM 232 NE1 TRP A 276 1.973 -2.217 2.153 1.00 0.00 N ATOM 233 CE2 TRP A 276 2.570 -1.832 3.343 1.00 0.00 C ATOM 234 CE3 TRP A 276 2.972 0.183 4.703 1.00 0.00 C ATOM 235 CZ2 TRP A 276 3.258 -2.618 4.293 1.00 0.00 C ATOM 236 CZ3 TRP A 276 3.647 -0.615 5.627 1.00 0.00 C ATOM 237 CH2 TRP A 276 3.788 -1.996 5.426 1.00 0.00 C ATOM 0 H TRP A 276 1.196 3.236 0.411 1.00 0.00 H new ATOM 0 HA TRP A 276 2.823 3.000 2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 276 0.782 1.897 3.107 1.00 0.00 H new ATOM 0 HB3 TRP A 276 0.598 1.550 1.399 1.00 0.00 H new ATOM 0 HD1 TRP A 276 0.921 -0.941 0.695 1.00 0.00 H new ATOM 0 HE1 TRP A 276 1.919 -3.153 1.750 1.00 0.00 H new ATOM 0 HE3 TRP A 276 2.865 1.246 4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 3.373 -3.682 4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 4.068 -0.162 6.512 1.00 0.00 H new ATOM 0 HH2 TRP A 276 4.315 -2.588 6.159 1.00 0.00 H new ATOM 248 N ALA A 277 3.759 1.692 0.021 1.00 0.00 N ATOM 249 CA ALA A 277 4.918 1.092 -0.636 1.00 0.00 C ATOM 250 C ALA A 277 6.171 1.891 -0.363 1.00 0.00 C ATOM 251 O ALA A 277 7.279 1.348 -0.263 1.00 0.00 O ATOM 252 CB ALA A 277 4.601 0.978 -2.137 1.00 0.00 C ATOM 0 H ALA A 277 3.065 2.076 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 277 5.114 0.096 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 277 5.450 0.532 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 277 3.721 0.351 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 277 4.407 1.970 -2.544 1.00 0.00 H new ATOM 258 N GLY A 278 6.024 3.200 -0.267 1.00 0.00 N ATOM 259 CA GLY A 278 7.136 4.076 0.090 1.00 0.00 C ATOM 260 C GLY A 278 7.567 3.845 1.520 1.00 0.00 C ATOM 261 O GLY A 278 8.757 3.872 1.855 1.00 0.00 O ATOM 0 H GLY A 278 5.143 3.686 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 278 7.976 3.896 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 278 6.841 5.117 -0.041 1.00 0.00 H new ATOM 265 N LEU A 279 6.603 3.587 2.383 1.00 0.00 N ATOM 266 CA LEU A 279 6.876 3.178 3.759 1.00 0.00 C ATOM 267 C LEU A 279 7.615 1.861 3.806 1.00 0.00 C ATOM 268 O LEU A 279 8.474 1.629 4.669 1.00 0.00 O ATOM 269 CB LEU A 279 5.554 3.099 4.574 1.00 0.00 C ATOM 270 CG LEU A 279 5.599 3.479 6.079 1.00 0.00 C ATOM 271 CD1 LEU A 279 4.204 3.763 6.662 1.00 0.00 C ATOM 272 CD2 LEU A 279 6.279 2.364 6.886 1.00 0.00 C ATOM 0 H LEU A 279 5.610 3.653 2.157 1.00 0.00 H new ATOM 0 HA LEU A 279 7.519 3.932 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 279 4.824 3.746 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 279 5.176 2.079 4.499 1.00 0.00 H new ATOM 0 HG LEU A 279 6.176 4.400 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 279 4.296 4.023 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 279 3.746 4.592 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 279 3.580 2.875 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 279 6.305 2.641 7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 279 5.719 1.436 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 279 7.297 2.221 6.523 1.00 0.00 H new ATOM 284 N VAL A 280 7.302 0.974 2.880 1.00 0.00 N ATOM 285 CA VAL A 280 7.800 -0.399 2.914 1.00 0.00 C ATOM 286 C VAL A 280 9.284 -0.466 2.630 1.00 0.00 C ATOM 287 O VAL A 280 9.968 -1.428 3.015 1.00 0.00 O ATOM 288 CB VAL A 280 6.996 -1.281 1.877 1.00 0.00 C ATOM 289 CG1 VAL A 280 7.695 -1.429 0.504 1.00 0.00 C ATOM 290 CG2 VAL A 280 6.657 -2.731 2.323 1.00 0.00 C ATOM 0 H VAL A 280 6.698 1.178 2.084 1.00 0.00 H new ATOM 0 HA VAL A 280 7.647 -0.791 3.920 1.00 0.00 H new ATOM 0 HB VAL A 280 6.077 -0.698 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 280 7.082 -2.047 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 280 7.827 -0.445 0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 280 8.669 -1.900 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 280 6.106 -3.236 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 280 7.580 -3.274 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 280 6.048 -2.701 3.226 1.00 0.00 H new ATOM 300 N GLU A 281 9.808 0.521 1.929 1.00 0.00 N ATOM 301 CA GLU A 281 11.233 0.571 1.608 1.00 0.00 C ATOM 302 C GLU A 281 12.070 0.694 2.860 1.00 0.00 C ATOM 303 O GLU A 281 13.184 0.159 2.950 1.00 0.00 O ATOM 304 CB GLU A 281 11.486 1.763 0.643 1.00 0.00 C ATOM 305 CG GLU A 281 10.378 2.071 -0.418 1.00 0.00 C ATOM 306 CD GLU A 281 10.747 2.934 -1.628 1.00 0.00 C ATOM 307 OE1 GLU A 281 11.646 3.764 -1.605 1.00 0.00 O ATOM 308 OE2 GLU A 281 9.981 2.691 -2.728 1.00 0.00 O ATOM 0 H GLU A 281 9.269 1.307 1.566 1.00 0.00 H new ATOM 0 HA GLU A 281 11.528 -0.358 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 281 11.636 2.659 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 281 12.419 1.576 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 281 10.003 1.118 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 281 9.551 2.559 0.098 1.00 0.00 H new