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 X(o=0,f=0) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 265 -13.357 -2.778 -2.187 1.00 0.00 N ATOM 39 CA PHE A 265 -12.056 -2.134 -2.023 1.00 0.00 C ATOM 40 C PHE A 265 -11.105 -2.480 -3.149 1.00 0.00 C ATOM 41 O PHE A 265 -9.878 -2.352 -3.008 1.00 0.00 O ATOM 42 CB PHE A 265 -11.415 -2.561 -0.666 1.00 0.00 C ATOM 43 CG PHE A 265 -10.906 -4.001 -0.513 1.00 0.00 C ATOM 44 CD1 PHE A 265 -9.876 -4.489 -1.320 1.00 0.00 C ATOM 45 CD2 PHE A 265 -11.443 -4.822 0.487 1.00 0.00 C ATOM 46 CE1 PHE A 265 -9.382 -5.776 -1.124 1.00 0.00 C ATOM 47 CE2 PHE A 265 -10.937 -6.100 0.694 1.00 0.00 C ATOM 48 CZ PHE A 265 -9.911 -6.581 -0.116 1.00 0.00 C ATOM 0 HA PHE A 265 -12.225 -1.057 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 265 -10.577 -1.892 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 265 -12.152 -2.386 0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 265 -9.461 -3.866 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 265 -12.255 -4.460 1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 265 -8.588 -6.151 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 265 -11.339 -6.719 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 265 -9.525 -7.578 0.037 1.00 0.00 H new ATOM 58 N GLU A 266 -11.636 -2.875 -4.291 1.00 0.00 N ATOM 59 CA GLU A 266 -10.831 -3.228 -5.459 1.00 0.00 C ATOM 60 C GLU A 266 -9.756 -2.198 -5.721 1.00 0.00 C ATOM 61 O GLU A 266 -8.567 -2.490 -5.743 1.00 0.00 O ATOM 62 CB GLU A 266 -11.771 -3.367 -6.691 1.00 0.00 C ATOM 63 CG GLU A 266 -12.361 -4.780 -7.010 1.00 0.00 C ATOM 64 CD GLU A 266 -11.455 -5.819 -7.675 1.00 0.00 C ATOM 65 OE1 GLU A 266 -10.770 -6.596 -6.790 1.00 0.00 O ATOM 66 OE2 GLU A 266 -11.358 -5.940 -8.889 1.00 0.00 O ATOM 0 H GLU A 266 -12.641 -2.962 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 266 -10.327 -4.176 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 266 -12.606 -2.680 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 266 -11.222 -3.029 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 266 -12.723 -5.207 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 266 -13.230 -4.639 -7.653 1.00 0.00 H new ATOM 73 N PRO A 267 -10.178 -0.964 -5.925 1.00 0.00 N ATOM 74 CA PRO A 267 -9.315 0.246 -6.281 1.00 0.00 C ATOM 75 C PRO A 267 -8.649 0.933 -5.111 1.00 0.00 C ATOM 76 O PRO A 267 -7.586 1.557 -5.247 1.00 0.00 O ATOM 77 CB PRO A 267 -10.262 1.237 -6.946 1.00 0.00 C ATOM 78 CG PRO A 267 -11.534 1.020 -6.111 1.00 0.00 C ATOM 79 CD PRO A 267 -11.581 -0.489 -5.856 1.00 0.00 C ATOM 0 HA PRO A 267 -8.494 -0.099 -6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.897 2.262 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -10.418 1.016 -8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -11.493 1.578 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -12.421 1.359 -6.646 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -12.018 -0.706 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -12.199 -0.991 -6.601 1.00 0.00 H new ATOM 87 N LEU A 268 -9.267 0.864 -3.947 1.00 0.00 N ATOM 88 CA LEU A 268 -8.697 1.431 -2.728 1.00 0.00 C ATOM 89 C LEU A 268 -7.379 0.777 -2.381 1.00 0.00 C ATOM 90 O LEU A 268 -6.509 1.383 -1.737 1.00 0.00 O ATOM 91 CB LEU A 268 -9.705 1.309 -1.548 1.00 0.00 C ATOM 92 CG LEU A 268 -9.425 2.129 -0.259 1.00 0.00 C ATOM 93 CD1 LEU A 268 -9.773 3.619 -0.415 1.00 0.00 C ATOM 94 CD2 LEU A 268 -10.203 1.537 0.924 1.00 0.00 C ATOM 0 H LEU A 268 -10.174 0.417 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 268 -8.502 2.488 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 268 -10.689 1.596 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 268 -9.765 0.257 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 268 -8.353 2.064 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 268 -9.557 4.143 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 268 -9.177 4.049 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 268 -10.832 3.722 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 268 -9.999 2.120 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 268 -11.271 1.565 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 268 -9.892 0.504 1.083 1.00 0.00 H new ATOM 106 N VAL A 269 -7.213 -0.473 -2.769 1.00 0.00 N ATOM 107 CA VAL A 269 -5.976 -1.207 -2.507 1.00 0.00 C ATOM 108 C VAL A 269 -4.807 -0.576 -3.228 1.00 0.00 C ATOM 109 O VAL A 269 -3.670 -0.570 -2.740 1.00 0.00 O ATOM 110 CB VAL A 269 -6.143 -2.721 -2.930 1.00 0.00 C ATOM 111 CG1 VAL A 269 -4.865 -3.436 -3.450 1.00 0.00 C ATOM 112 CG2 VAL A 269 -6.691 -3.631 -1.805 1.00 0.00 C ATOM 0 H VAL A 269 -7.921 -1.010 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 269 -5.770 -1.163 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 269 -6.854 -2.609 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.105 -4.467 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.492 -2.918 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.100 -3.425 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -6.777 -4.653 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -6.010 -3.608 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -7.673 -3.274 -1.494 1.00 0.00 H new ATOM 122 N GLU A 270 -5.059 -0.062 -4.417 1.00 0.00 N ATOM 123 CA GLU A 270 -3.996 0.434 -5.288 1.00 0.00 C ATOM 124 C GLU A 270 -3.412 1.722 -4.757 1.00 0.00 C ATOM 125 O GLU A 270 -2.196 1.956 -4.815 1.00 0.00 O ATOM 126 CB GLU A 270 -4.579 0.626 -6.717 1.00 0.00 C ATOM 127 CG GLU A 270 -5.536 -0.487 -7.256 1.00 0.00 C ATOM 128 CD GLU A 270 -5.218 -1.128 -8.609 1.00 0.00 C ATOM 129 OE1 GLU A 270 -4.550 -0.572 -9.470 1.00 0.00 O ATOM 130 OE2 GLU A 270 -5.749 -2.373 -8.764 1.00 0.00 O ATOM 0 H GLU A 270 -5.996 0.026 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 270 -3.182 -0.290 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 270 -5.118 1.573 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 270 -3.745 0.719 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 270 -5.572 -1.283 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 270 -6.538 -0.062 -7.317 1.00 0.00 H new ATOM 137 N ASP A 271 -4.265 2.596 -4.257 1.00 0.00 N ATOM 138 CA ASP A 271 -3.818 3.820 -3.596 1.00 0.00 C ATOM 139 C ASP A 271 -3.059 3.503 -2.329 1.00 0.00 C ATOM 140 O ASP A 271 -2.103 4.192 -1.952 1.00 0.00 O ATOM 141 CB ASP A 271 -5.024 4.758 -3.327 1.00 0.00 C ATOM 142 CG ASP A 271 -4.752 6.268 -3.400 1.00 0.00 C ATOM 143 OD1 ASP A 271 -4.707 6.737 -4.683 1.00 0.00 O ATOM 144 OD2 ASP A 271 -4.598 6.966 -2.408 1.00 0.00 O ATOM 0 H ASP A 271 -5.278 2.485 -4.294 1.00 0.00 H new ATOM 0 HA ASP A 271 -3.130 4.345 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -5.808 4.518 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -5.418 4.531 -2.336 1.00 0.00 H new ATOM 149 N MET A 272 -3.460 2.438 -1.660 1.00 0.00 N ATOM 150 CA MET A 272 -2.733 1.935 -0.496 1.00 0.00 C ATOM 151 C MET A 272 -1.341 1.482 -0.870 1.00 0.00 C ATOM 152 O MET A 272 -0.418 1.481 -0.042 1.00 0.00 O ATOM 153 CB MET A 272 -3.531 0.777 0.164 1.00 0.00 C ATOM 154 CG MET A 272 -2.705 -0.230 0.992 1.00 0.00 C ATOM 155 SD MET A 272 -3.804 -1.426 1.770 1.00 0.00 S ATOM 156 CE MET A 272 -2.624 -2.178 2.899 1.00 0.00 C ATOM 0 H MET A 272 -4.291 1.897 -1.901 1.00 0.00 H new ATOM 0 HA MET A 272 -2.629 2.748 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 272 -4.293 1.211 0.812 1.00 0.00 H new ATOM 0 HB3 MET A 272 -4.054 0.230 -0.620 1.00 0.00 H new ATOM 0 HG2 MET A 272 -1.990 -0.744 0.349 1.00 0.00 H new ATOM 0 HG3 MET A 272 -2.129 0.297 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 272 -3.121 -2.956 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 272 -1.805 -2.617 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 272 -2.230 -1.418 3.573 1.00 0.00 H new ATOM 166 N GLN A 273 -1.163 1.059 -2.107 1.00 0.00 N ATOM 167 CA GLN A 273 0.139 0.610 -2.594 1.00 0.00 C ATOM 168 C GLN A 273 1.083 1.774 -2.793 1.00 0.00 C ATOM 169 O GLN A 273 2.311 1.637 -2.679 1.00 0.00 O ATOM 170 CB GLN A 273 -0.068 -0.164 -3.915 1.00 0.00 C ATOM 171 CG GLN A 273 0.343 -1.674 -3.901 1.00 0.00 C ATOM 172 CD GLN A 273 0.493 -2.422 -5.231 1.00 0.00 C ATOM 173 OE1 GLN A 273 -0.470 -2.626 -5.952 1.00 0.00 O ATOM 174 NE2 GLN A 273 1.665 -2.877 -5.597 1.00 0.00 N ATOM 0 H GLN A 273 -1.908 1.015 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 273 0.595 -0.045 -1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 273 -1.121 -0.098 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 273 0.498 0.338 -4.699 1.00 0.00 H new ATOM 0 HG2 GLN A 273 1.294 -1.750 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 273 -0.396 -2.209 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 273 2.481 -2.716 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 273 1.762 -3.392 -6.472 1.00 0.00 H new ATOM 183 N ARG A 274 0.542 2.932 -3.120 1.00 0.00 N ATOM 184 CA ARG A 274 1.352 4.117 -3.391 1.00 0.00 C ATOM 185 C ARG A 274 2.167 4.503 -2.179 1.00 0.00 C ATOM 186 O ARG A 274 3.400 4.594 -2.224 1.00 0.00 O ATOM 187 CB ARG A 274 0.418 5.276 -3.836 1.00 0.00 C ATOM 188 CG ARG A 274 0.500 5.643 -5.341 1.00 0.00 C ATOM 189 CD ARG A 274 0.838 7.122 -5.570 1.00 0.00 C ATOM 190 NE ARG A 274 1.510 7.249 -6.888 1.00 0.00 N ATOM 191 CZ ARG A 274 1.554 8.350 -7.627 1.00 0.00 C ATOM 192 NH1 ARG A 274 1.008 9.481 -7.291 1.00 0.00 N ATOM 193 NH2 ARG A 274 2.181 8.287 -8.748 1.00 0.00 N ATOM 0 H ARG A 274 -0.463 3.083 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 274 2.057 3.899 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 274 -0.611 5.005 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 274 0.658 6.162 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 274 1.256 5.023 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 274 -0.452 5.413 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 274 -0.069 7.727 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 274 1.487 7.490 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 274 1.977 6.420 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 274 0.505 9.562 -6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 274 1.083 10.287 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 274 2.620 7.413 -9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 274 2.239 9.111 -9.347 1.00 0.00 H new ATOM 207 N GLN A 275 1.489 4.735 -1.070 1.00 0.00 N ATOM 208 CA GLN A 275 2.120 5.288 0.125 1.00 0.00 C ATOM 209 C GLN A 275 2.756 4.203 0.963 1.00 0.00 C ATOM 210 O GLN A 275 3.820 4.389 1.570 1.00 0.00 O ATOM 211 CB GLN A 275 1.053 6.056 0.937 1.00 0.00 C ATOM 212 CG GLN A 275 0.173 5.200 1.907 1.00 0.00 C ATOM 213 CD GLN A 275 -0.476 5.876 3.120 1.00 0.00 C ATOM 214 OE1 GLN A 275 0.072 5.877 4.211 1.00 0.00 O ATOM 215 NE2 GLN A 275 -1.644 6.455 3.000 1.00 0.00 N ATOM 0 H GLN A 275 0.491 4.548 -0.967 1.00 0.00 H new ATOM 0 HA GLN A 275 2.917 5.969 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 275 1.556 6.826 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 275 0.392 6.567 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 275 -0.625 4.751 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 275 0.793 4.384 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 275 -2.118 6.465 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 275 -2.080 6.896 3.810 1.00 0.00 H new ATOM 224 N TRP A 276 2.132 3.041 0.992 1.00 0.00 N ATOM 225 CA TRP A 276 2.530 1.969 1.902 1.00 0.00 C ATOM 226 C TRP A 276 3.729 1.216 1.375 1.00 0.00 C ATOM 227 O TRP A 276 4.519 0.642 2.139 1.00 0.00 O ATOM 228 CB TRP A 276 1.334 0.993 2.084 1.00 0.00 C ATOM 229 CG TRP A 276 1.715 -0.490 2.139 1.00 0.00 C ATOM 230 CD1 TRP A 276 1.309 -1.479 1.220 1.00 0.00 C ATOM 231 CD2 TRP A 276 2.456 -1.147 3.099 1.00 0.00 C ATOM 232 NE1 TRP A 276 1.788 -2.752 1.582 1.00 0.00 N ATOM 233 CE2 TRP A 276 2.496 -2.520 2.751 1.00 0.00 C ATOM 234 CE3 TRP A 276 3.112 -0.678 4.266 1.00 0.00 C ATOM 235 CZ2 TRP A 276 3.187 -3.437 3.574 1.00 0.00 C ATOM 236 CZ3 TRP A 276 3.785 -1.602 5.065 1.00 0.00 C ATOM 237 CH2 TRP A 276 3.821 -2.962 4.725 1.00 0.00 C ATOM 0 H TRP A 276 1.340 2.808 0.393 1.00 0.00 H new ATOM 0 HA TRP A 276 2.808 2.409 2.860 1.00 0.00 H new ATOM 0 HB2 TRP A 276 0.809 1.253 3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 276 0.633 1.143 1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 276 0.705 -1.284 0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 276 1.647 -3.638 1.097 1.00 0.00 H new ATOM 0 HE3 TRP A 276 3.091 0.369 4.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 3.225 -4.486 3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 4.287 -1.265 5.960 1.00 0.00 H new ATOM 0 HH2 TRP A 276 4.348 -3.655 5.364 1.00 0.00 H new ATOM 248 N ALA A 277 3.879 1.178 0.064 1.00 0.00 N ATOM 249 CA ALA A 277 5.046 0.564 -0.563 1.00 0.00 C ATOM 250 C ALA A 277 6.294 1.368 -0.286 1.00 0.00 C ATOM 251 O ALA A 277 7.406 0.834 -0.187 1.00 0.00 O ATOM 252 CB ALA A 277 4.751 0.423 -2.066 1.00 0.00 C ATOM 0 H ALA A 277 3.205 1.567 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 277 5.235 -0.425 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 277 5.607 -0.034 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 277 3.871 -0.205 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 277 4.566 1.408 -2.494 1.00 0.00 H new ATOM 258 N GLY A 278 6.132 2.673 -0.163 1.00 0.00 N ATOM 259 CA GLY A 278 7.224 3.549 0.251 1.00 0.00 C ATOM 260 C GLY A 278 7.678 3.221 1.654 1.00 0.00 C ATOM 261 O GLY A 278 8.858 3.350 2.004 1.00 0.00 O ATOM 0 H GLY A 278 5.252 3.156 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 278 8.061 3.445 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 278 6.899 4.588 0.204 1.00 0.00 H new ATOM 265 N LEU A 279 6.745 2.798 2.486 1.00 0.00 N ATOM 266 CA LEU A 279 7.060 2.351 3.841 1.00 0.00 C ATOM 267 C LEU A 279 7.822 1.046 3.822 1.00 0.00 C ATOM 268 O LEU A 279 8.691 0.791 4.669 1.00 0.00 O ATOM 269 CB LEU A 279 5.762 2.225 4.689 1.00 0.00 C ATOM 270 CG LEU A 279 5.781 2.774 6.141 1.00 0.00 C ATOM 271 CD1 LEU A 279 4.351 3.076 6.611 1.00 0.00 C ATOM 272 CD2 LEU A 279 6.460 1.812 7.130 1.00 0.00 C ATOM 0 H LEU A 279 5.754 2.752 2.250 1.00 0.00 H new ATOM 0 HA LEU A 279 7.701 3.101 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 279 4.962 2.733 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 279 5.495 1.169 4.735 1.00 0.00 H new ATOM 0 HG LEU A 279 6.370 3.691 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 279 4.377 3.460 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 279 3.902 3.820 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 279 3.758 2.162 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 279 6.445 2.247 8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 279 5.925 0.862 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 279 7.492 1.644 6.823 1.00 0.00 H new ATOM 284 N VAL A 280 7.514 0.191 2.865 1.00 0.00 N ATOM 285 CA VAL A 280 8.089 -1.150 2.809 1.00 0.00 C ATOM 286 C VAL A 280 9.579 -1.093 2.560 1.00 0.00 C ATOM 287 O VAL A 280 10.346 -1.954 3.016 1.00 0.00 O ATOM 288 CB VAL A 280 7.366 -2.002 1.691 1.00 0.00 C ATOM 289 CG1 VAL A 280 8.146 -3.269 1.265 1.00 0.00 C ATOM 290 CG2 VAL A 280 5.931 -2.498 2.024 1.00 0.00 C ATOM 0 H VAL A 280 6.864 0.399 2.107 1.00 0.00 H new ATOM 0 HA VAL A 280 7.933 -1.633 3.774 1.00 0.00 H new ATOM 0 HB VAL A 280 7.319 -1.262 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 280 7.586 -3.800 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 280 9.121 -2.981 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 280 8.282 -3.920 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 280 5.539 -3.070 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 280 5.962 -3.131 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 280 5.284 -1.641 2.213 1.00 0.00 H new ATOM 300 N GLU A 281 10.020 -0.084 1.833 1.00 0.00 N ATOM 301 CA GLU A 281 11.436 0.079 1.510 1.00 0.00 C ATOM 302 C GLU A 281 12.210 0.592 2.701 1.00 0.00 C ATOM 303 O GLU A 281 13.383 0.251 2.910 1.00 0.00 O ATOM 304 CB GLU A 281 11.557 1.047 0.300 1.00 0.00 C ATOM 305 CG GLU A 281 11.911 2.541 0.603 1.00 0.00 C ATOM 306 CD GLU A 281 12.439 3.408 -0.544 1.00 0.00 C ATOM 307 OE1 GLU A 281 13.065 2.951 -1.490 1.00 0.00 O ATOM 308 OE2 GLU A 281 12.144 4.731 -0.410 1.00 0.00 O ATOM 0 H GLU A 281 9.417 0.644 1.449 1.00 0.00 H new ATOM 0 HA GLU A 281 11.866 -0.888 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 281 12.317 0.651 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 281 10.611 1.029 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 281 11.016 3.021 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 281 12.656 2.552 1.398 1.00 0.00 H new