USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=0 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= -0.6 X(o=-0.6,f=-0.91) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 265 -12.910 -3.232 -1.584 1.00 0.00 N ATOM 39 CA PHE A 265 -11.492 -2.965 -1.346 1.00 0.00 C ATOM 40 C PHE A 265 -10.674 -3.009 -2.620 1.00 0.00 C ATOM 41 O PHE A 265 -9.484 -2.635 -2.613 1.00 0.00 O ATOM 42 CB PHE A 265 -10.869 -3.967 -0.327 1.00 0.00 C ATOM 43 CG PHE A 265 -10.116 -5.209 -0.826 1.00 0.00 C ATOM 44 CD1 PHE A 265 -10.352 -5.744 -2.096 1.00 0.00 C ATOM 45 CD2 PHE A 265 -9.194 -5.850 0.021 1.00 0.00 C ATOM 46 CE1 PHE A 265 -9.727 -6.917 -2.500 1.00 0.00 C ATOM 47 CE2 PHE A 265 -8.576 -7.031 -0.381 1.00 0.00 C ATOM 48 CZ PHE A 265 -8.834 -7.558 -1.645 1.00 0.00 C ATOM 0 HA PHE A 265 -11.457 -1.957 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 265 -10.180 -3.402 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 265 -11.676 -4.316 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 265 -11.028 -5.240 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 265 -8.965 -5.424 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 265 -9.933 -7.331 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 265 -7.896 -7.539 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 265 -8.341 -8.465 -1.962 1.00 0.00 H new ATOM 58 N GLU A 266 -11.250 -3.446 -3.722 1.00 0.00 N ATOM 59 CA GLU A 266 -10.527 -3.545 -4.989 1.00 0.00 C ATOM 60 C GLU A 266 -9.883 -2.228 -5.353 1.00 0.00 C ATOM 61 O GLU A 266 -8.693 -2.154 -5.650 1.00 0.00 O ATOM 62 CB GLU A 266 -11.512 -4.018 -6.094 1.00 0.00 C ATOM 63 CG GLU A 266 -11.425 -3.302 -7.483 1.00 0.00 C ATOM 64 CD GLU A 266 -10.760 -4.043 -8.646 1.00 0.00 C ATOM 65 OE1 GLU A 266 -11.438 -5.154 -9.047 1.00 0.00 O ATOM 66 OE2 GLU A 266 -9.716 -3.669 -9.164 1.00 0.00 O ATOM 0 H GLU A 266 -12.225 -3.742 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 266 -9.722 -4.273 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 266 -11.354 -5.085 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 266 -12.527 -3.899 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 266 -12.440 -3.047 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 266 -10.890 -2.363 -7.339 1.00 0.00 H new ATOM 73 N PRO A 267 -10.664 -1.164 -5.336 1.00 0.00 N ATOM 74 CA PRO A 267 -10.242 0.273 -5.639 1.00 0.00 C ATOM 75 C PRO A 267 -9.166 0.818 -4.722 1.00 0.00 C ATOM 76 O PRO A 267 -8.192 1.444 -5.158 1.00 0.00 O ATOM 77 CB PRO A 267 -11.481 1.147 -5.484 1.00 0.00 C ATOM 78 CG PRO A 267 -12.631 0.149 -5.681 1.00 0.00 C ATOM 79 CD PRO A 267 -12.111 -1.134 -5.019 1.00 0.00 C ATOM 0 HA PRO A 267 -9.821 0.281 -6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -11.521 1.621 -4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -11.508 1.946 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -13.550 0.499 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -12.852 -0.006 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -12.280 -1.120 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -12.620 -2.015 -5.410 1.00 0.00 H new ATOM 87 N LEU A 268 -9.349 0.610 -3.432 1.00 0.00 N ATOM 88 CA LEU A 268 -8.473 1.189 -2.417 1.00 0.00 C ATOM 89 C LEU A 268 -7.053 0.699 -2.577 1.00 0.00 C ATOM 90 O LEU A 268 -6.083 1.422 -2.314 1.00 0.00 O ATOM 91 CB LEU A 268 -9.010 0.874 -0.992 1.00 0.00 C ATOM 92 CG LEU A 268 -8.579 1.799 0.178 1.00 0.00 C ATOM 93 CD1 LEU A 268 -9.767 2.050 1.118 1.00 0.00 C ATOM 94 CD2 LEU A 268 -7.396 1.230 0.980 1.00 0.00 C ATOM 0 H LEU A 268 -10.104 0.038 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 268 -8.467 2.271 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 268 -10.099 0.881 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 268 -8.709 -0.143 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 268 -8.249 2.738 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 268 -9.454 2.700 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 268 -10.575 2.528 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 268 -10.117 1.101 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 268 -7.138 1.918 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 268 -7.674 0.265 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 268 -6.537 1.104 0.321 1.00 0.00 H new ATOM 106 N VAL A 269 -6.903 -0.549 -2.982 1.00 0.00 N ATOM 107 CA VAL A 269 -5.596 -1.202 -3.003 1.00 0.00 C ATOM 108 C VAL A 269 -4.604 -0.410 -3.823 1.00 0.00 C ATOM 109 O VAL A 269 -3.409 -0.341 -3.506 1.00 0.00 O ATOM 110 CB VAL A 269 -5.737 -2.673 -3.564 1.00 0.00 C ATOM 111 CG1 VAL A 269 -4.524 -3.225 -4.364 1.00 0.00 C ATOM 112 CG2 VAL A 269 -6.023 -3.734 -2.474 1.00 0.00 C ATOM 0 H VAL A 269 -7.671 -1.138 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 269 -5.218 -1.249 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 269 -6.584 -2.537 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -4.739 -4.241 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.341 -2.590 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.640 -3.232 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -6.107 -4.717 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -5.208 -3.741 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -6.957 -3.491 -1.966 1.00 0.00 H new ATOM 122 N GLU A 270 -5.071 0.177 -4.909 1.00 0.00 N ATOM 123 CA GLU A 270 -4.189 0.822 -5.878 1.00 0.00 C ATOM 124 C GLU A 270 -3.553 2.059 -5.289 1.00 0.00 C ATOM 125 O GLU A 270 -2.386 2.380 -5.549 1.00 0.00 O ATOM 126 CB GLU A 270 -5.017 1.163 -7.148 1.00 0.00 C ATOM 127 CG GLU A 270 -6.007 0.071 -7.674 1.00 0.00 C ATOM 128 CD GLU A 270 -6.429 0.119 -9.144 1.00 0.00 C ATOM 129 OE1 GLU A 270 -5.817 0.755 -9.993 1.00 0.00 O ATOM 130 OE2 GLU A 270 -7.545 -0.610 -9.418 1.00 0.00 O ATOM 0 H GLU A 270 -6.062 0.223 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 270 -3.377 0.145 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 270 -5.590 2.068 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 270 -4.320 1.401 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 270 -5.555 -0.904 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 270 -6.911 0.122 -7.067 1.00 0.00 H new ATOM 137 N ASP A 271 -4.321 2.794 -4.507 1.00 0.00 N ATOM 138 CA ASP A 271 -3.795 3.912 -3.730 1.00 0.00 C ATOM 139 C ASP A 271 -2.796 3.438 -2.700 1.00 0.00 C ATOM 140 O ASP A 271 -1.813 4.123 -2.384 1.00 0.00 O ATOM 141 CB ASP A 271 -4.958 4.711 -3.082 1.00 0.00 C ATOM 142 CG ASP A 271 -4.709 6.205 -2.828 1.00 0.00 C ATOM 143 OD1 ASP A 271 -3.592 6.681 -2.692 1.00 0.00 O ATOM 144 OD2 ASP A 271 -5.865 6.935 -2.787 1.00 0.00 O ATOM 0 H ASP A 271 -5.322 2.638 -4.389 1.00 0.00 H new ATOM 0 HA ASP A 271 -3.262 4.584 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -5.835 4.616 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -5.206 4.240 -2.131 1.00 0.00 H new ATOM 149 N MET A 272 -3.033 2.265 -2.143 1.00 0.00 N ATOM 150 CA MET A 272 -2.206 1.733 -1.063 1.00 0.00 C ATOM 151 C MET A 272 -0.834 1.332 -1.553 1.00 0.00 C ATOM 152 O MET A 272 0.141 1.303 -0.785 1.00 0.00 O ATOM 153 CB MET A 272 -2.926 0.527 -0.397 1.00 0.00 C ATOM 154 CG MET A 272 -2.378 0.094 0.979 1.00 0.00 C ATOM 155 SD MET A 272 -2.786 1.336 2.217 1.00 0.00 S ATOM 156 CE MET A 272 -3.218 0.232 3.569 1.00 0.00 C ATOM 0 H MET A 272 -3.800 1.652 -2.421 1.00 0.00 H new ATOM 0 HA MET A 272 -2.065 2.521 -0.323 1.00 0.00 H new ATOM 0 HB2 MET A 272 -3.981 0.775 -0.285 1.00 0.00 H new ATOM 0 HB3 MET A 272 -2.869 -0.325 -1.074 1.00 0.00 H new ATOM 0 HG2 MET A 272 -2.803 -0.869 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 272 -1.297 -0.038 0.925 1.00 0.00 H new ATOM 0 HE1 MET A 272 -3.504 0.820 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 272 -4.053 -0.402 3.269 1.00 0.00 H new ATOM 0 HE3 MET A 272 -2.360 -0.392 3.817 1.00 0.00 H new ATOM 166 N GLN A 273 -0.725 0.984 -2.820 1.00 0.00 N ATOM 167 CA GLN A 273 0.532 0.506 -3.392 1.00 0.00 C ATOM 168 C GLN A 273 1.296 1.624 -4.063 1.00 0.00 C ATOM 169 O GLN A 273 1.980 1.427 -5.076 1.00 0.00 O ATOM 170 CB GLN A 273 0.218 -0.624 -4.397 1.00 0.00 C ATOM 171 CG GLN A 273 1.069 -1.929 -4.254 1.00 0.00 C ATOM 172 CD GLN A 273 2.598 -1.836 -4.312 1.00 0.00 C ATOM 173 OE1 GLN A 273 3.293 -2.322 -3.434 1.00 0.00 O ATOM 174 NE2 GLN A 273 3.180 -1.250 -5.327 1.00 0.00 N ATOM 0 H GLN A 273 -1.498 1.022 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 273 1.167 0.125 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 273 -0.835 -0.888 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 273 0.355 -0.234 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 273 0.804 -2.390 -3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 273 0.752 -2.615 -5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 273 2.616 -0.838 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 273 4.198 -1.205 -5.375 1.00 0.00 H new ATOM 183 N ARG A 274 1.170 2.825 -3.531 1.00 0.00 N ATOM 184 CA ARG A 274 1.984 3.955 -3.974 1.00 0.00 C ATOM 185 C ARG A 274 2.501 4.768 -2.808 1.00 0.00 C ATOM 186 O ARG A 274 3.620 5.302 -2.840 1.00 0.00 O ATOM 187 CB ARG A 274 1.144 4.822 -4.953 1.00 0.00 C ATOM 188 CG ARG A 274 0.464 6.083 -4.362 1.00 0.00 C ATOM 189 CD ARG A 274 1.103 7.386 -4.862 1.00 0.00 C ATOM 190 NE ARG A 274 0.388 7.812 -6.092 1.00 0.00 N ATOM 191 CZ ARG A 274 -0.696 8.575 -6.127 1.00 0.00 C ATOM 192 NH1 ARG A 274 -1.284 9.063 -5.075 1.00 0.00 N ATOM 193 NH2 ARG A 274 -1.194 8.846 -7.281 1.00 0.00 N ATOM 0 H ARG A 274 0.509 3.050 -2.787 1.00 0.00 H new ATOM 0 HA ARG A 274 2.866 3.579 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 274 1.793 5.137 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 274 0.369 4.190 -5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 274 -0.594 6.077 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 274 0.523 6.047 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 274 1.037 8.160 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 274 2.162 7.234 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 274 0.762 7.491 -6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 274 -0.913 8.865 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 274 -2.116 9.643 -5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 274 -0.756 8.477 -8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 274 -2.028 9.430 -7.352 1.00 0.00 H new ATOM 207 N GLN A 275 1.710 4.882 -1.758 1.00 0.00 N ATOM 208 CA GLN A 275 2.161 5.493 -0.510 1.00 0.00 C ATOM 209 C GLN A 275 2.774 4.467 0.414 1.00 0.00 C ATOM 210 O GLN A 275 3.742 4.741 1.138 1.00 0.00 O ATOM 211 CB GLN A 275 0.959 6.193 0.162 1.00 0.00 C ATOM 212 CG GLN A 275 1.231 7.618 0.748 1.00 0.00 C ATOM 213 CD GLN A 275 0.068 8.607 0.888 1.00 0.00 C ATOM 214 OE1 GLN A 275 0.218 9.796 0.651 1.00 0.00 O ATOM 215 NE2 GLN A 275 -1.104 8.186 1.290 1.00 0.00 N ATOM 0 H GLN A 275 0.743 4.558 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 275 2.937 6.227 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 275 0.155 6.271 -0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 275 0.597 5.554 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 275 1.670 7.487 1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 275 1.989 8.090 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 275 -1.249 7.197 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 275 -1.873 8.847 1.401 1.00 0.00 H new ATOM 224 N TRP A 276 2.206 3.276 0.434 1.00 0.00 N ATOM 225 CA TRP A 276 2.637 2.227 1.354 1.00 0.00 C ATOM 226 C TRP A 276 3.754 1.400 0.762 1.00 0.00 C ATOM 227 O TRP A 276 4.526 0.746 1.479 1.00 0.00 O ATOM 228 CB TRP A 276 1.426 1.310 1.685 1.00 0.00 C ATOM 229 CG TRP A 276 1.788 -0.150 1.976 1.00 0.00 C ATOM 230 CD1 TRP A 276 1.452 -1.257 1.169 1.00 0.00 C ATOM 231 CD2 TRP A 276 2.469 -0.663 3.059 1.00 0.00 C ATOM 232 NE1 TRP A 276 1.916 -2.464 1.728 1.00 0.00 N ATOM 233 CE2 TRP A 276 2.543 -2.069 2.899 1.00 0.00 C ATOM 234 CE3 TRP A 276 3.037 -0.034 4.197 1.00 0.00 C ATOM 235 CZ2 TRP A 276 3.194 -2.857 3.873 1.00 0.00 C ATOM 236 CZ3 TRP A 276 3.680 -0.833 5.143 1.00 0.00 C ATOM 237 CH2 TRP A 276 3.759 -2.224 4.984 1.00 0.00 C ATOM 0 H TRP A 276 1.438 3.004 -0.180 1.00 0.00 H new ATOM 0 HA TRP A 276 3.013 2.698 2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 276 0.903 1.720 2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 276 0.728 1.337 0.848 1.00 0.00 H new ATOM 0 HD1 TRP A 276 0.907 -1.188 0.239 1.00 0.00 H new ATOM 0 HE1 TRP A 276 1.814 -3.409 1.357 1.00 0.00 H new ATOM 0 HE3 TRP A 276 2.973 1.036 4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 3.254 -3.930 3.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 4.125 -0.372 6.013 1.00 0.00 H new ATOM 0 HH2 TRP A 276 4.265 -2.816 5.732 1.00 0.00 H new ATOM 248 N ALA A 277 3.848 1.382 -0.554 1.00 0.00 N ATOM 249 CA ALA A 277 4.983 0.771 -1.240 1.00 0.00 C ATOM 250 C ALA A 277 6.249 1.562 -1.005 1.00 0.00 C ATOM 251 O ALA A 277 7.340 1.008 -0.823 1.00 0.00 O ATOM 252 CB ALA A 277 4.623 0.654 -2.731 1.00 0.00 C ATOM 0 H ALA A 277 3.149 1.785 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 277 5.183 -0.225 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 277 5.454 0.200 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 277 3.734 0.033 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 277 4.426 1.646 -3.137 1.00 0.00 H new ATOM 258 N GLY A 278 6.129 2.878 -1.025 1.00 0.00 N ATOM 259 CA GLY A 278 7.239 3.757 -0.671 1.00 0.00 C ATOM 260 C GLY A 278 7.632 3.582 0.778 1.00 0.00 C ATOM 261 O GLY A 278 8.811 3.672 1.146 1.00 0.00 O ATOM 0 H GLY A 278 5.272 3.367 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 278 8.095 3.543 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 278 6.957 4.794 -0.852 1.00 0.00 H new ATOM 265 N LEU A 279 6.652 3.349 1.631 1.00 0.00 N ATOM 266 CA LEU A 279 6.906 3.084 3.045 1.00 0.00 C ATOM 267 C LEU A 279 7.661 1.789 3.234 1.00 0.00 C ATOM 268 O LEU A 279 8.480 1.645 4.154 1.00 0.00 O ATOM 269 CB LEU A 279 5.572 3.069 3.847 1.00 0.00 C ATOM 270 CG LEU A 279 5.635 3.317 5.379 1.00 0.00 C ATOM 271 CD1 LEU A 279 4.222 3.551 5.932 1.00 0.00 C ATOM 272 CD2 LEU A 279 6.306 2.163 6.140 1.00 0.00 C ATOM 0 H LEU A 279 5.665 3.337 1.373 1.00 0.00 H new ATOM 0 HA LEU A 279 7.531 3.890 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 279 4.915 3.823 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 279 5.097 2.101 3.685 1.00 0.00 H new ATOM 0 HG LEU A 279 6.249 4.205 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 279 4.276 3.724 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 279 3.781 4.421 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 279 3.605 2.674 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 279 6.322 2.391 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 279 5.745 1.243 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 279 7.327 2.035 5.781 1.00 0.00 H new ATOM 284 N VAL A 280 7.387 0.812 2.390 1.00 0.00 N ATOM 285 CA VAL A 280 7.925 -0.535 2.565 1.00 0.00 C ATOM 286 C VAL A 280 9.436 -0.526 2.515 1.00 0.00 C ATOM 287 O VAL A 280 10.112 -1.311 3.192 1.00 0.00 O ATOM 288 CB VAL A 280 7.334 -1.500 1.462 1.00 0.00 C ATOM 289 CG1 VAL A 280 8.256 -2.693 1.112 1.00 0.00 C ATOM 290 CG2 VAL A 280 5.947 -2.130 1.769 1.00 0.00 C ATOM 0 H VAL A 280 6.791 0.922 1.569 1.00 0.00 H new ATOM 0 HA VAL A 280 7.628 -0.901 3.548 1.00 0.00 H new ATOM 0 HB VAL A 280 7.238 -0.799 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 280 7.781 -3.308 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 280 9.208 -2.319 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 280 8.429 -3.293 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 280 5.647 -2.771 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 280 6.010 -2.722 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 280 5.209 -1.339 1.901 1.00 0.00 H new ATOM 300 N GLU A 281 9.992 0.356 1.704 1.00 0.00 N ATOM 301 CA GLU A 281 11.438 0.419 1.509 1.00 0.00 C ATOM 302 C GLU A 281 12.145 0.720 2.811 1.00 0.00 C ATOM 303 O GLU A 281 13.207 0.164 3.119 1.00 0.00 O ATOM 304 CB GLU A 281 11.750 1.501 0.437 1.00 0.00 C ATOM 305 CG GLU A 281 12.950 1.229 -0.529 1.00 0.00 C ATOM 306 CD GLU A 281 12.779 1.557 -2.014 1.00 0.00 C ATOM 307 OE1 GLU A 281 12.857 2.695 -2.458 1.00 0.00 O ATOM 308 OE2 GLU A 281 12.533 0.467 -2.791 1.00 0.00 O ATOM 0 H GLU A 281 9.465 1.044 1.165 1.00 0.00 H new ATOM 0 HA GLU A 281 11.803 -0.548 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 281 10.855 1.644 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 281 11.939 2.442 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 281 13.807 1.794 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 281 13.207 0.173 -0.450 1.00 0.00 H new