USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 141 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=-0.11) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 284 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N VAL A 269 11.973 3.315 4.918 1.00 0.00 N ATOM 37 CA VAL A 269 10.614 3.573 5.390 1.00 0.00 C ATOM 38 C VAL A 269 9.818 4.366 4.380 1.00 0.00 C ATOM 39 O VAL A 269 8.584 4.268 4.309 1.00 0.00 O ATOM 40 CB VAL A 269 10.666 4.329 6.778 1.00 0.00 C ATOM 41 CG1 VAL A 269 11.137 5.809 6.741 1.00 0.00 C ATOM 42 CG2 VAL A 269 9.314 4.348 7.531 1.00 0.00 C ATOM 0 HA VAL A 269 10.109 2.616 5.522 1.00 0.00 H new ATOM 0 HB VAL A 269 11.414 3.725 7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 269 11.130 6.218 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 269 12.148 5.859 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.464 6.389 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 269 9.430 4.884 8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 269 8.564 4.848 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 269 8.995 3.325 7.732 1.00 0.00 H new ATOM 52 N GLU A 270 10.494 5.169 3.582 1.00 0.00 N ATOM 53 CA GLU A 270 9.833 6.038 2.608 1.00 0.00 C ATOM 54 C GLU A 270 9.706 5.382 1.254 1.00 0.00 C ATOM 55 O GLU A 270 9.759 6.045 0.207 1.00 0.00 O ATOM 56 CB GLU A 270 10.650 7.360 2.509 1.00 0.00 C ATOM 57 CG GLU A 270 9.863 8.703 2.656 1.00 0.00 C ATOM 58 CD GLU A 270 9.639 9.556 1.405 1.00 0.00 C ATOM 59 OE1 GLU A 270 8.910 9.209 0.485 1.00 0.00 O ATOM 60 OE2 GLU A 270 10.326 10.731 1.412 1.00 0.00 O ATOM 0 H GLU A 270 11.511 5.243 3.584 1.00 0.00 H new ATOM 0 HA GLU A 270 8.816 6.242 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 270 11.423 7.337 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 270 11.158 7.371 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 270 8.886 8.470 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 270 10.388 9.317 3.387 1.00 0.00 H new ATOM 67 N ASP A 271 9.544 4.072 1.235 1.00 0.00 N ATOM 68 CA ASP A 271 9.228 3.348 0.007 1.00 0.00 C ATOM 69 C ASP A 271 8.467 2.079 0.309 1.00 0.00 C ATOM 70 O ASP A 271 8.658 1.037 -0.328 1.00 0.00 O ATOM 71 CB ASP A 271 10.522 3.068 -0.801 1.00 0.00 C ATOM 72 CG ASP A 271 10.341 2.640 -2.265 1.00 0.00 C ATOM 73 OD1 ASP A 271 10.035 3.421 -3.154 1.00 0.00 O ATOM 74 OD2 ASP A 271 10.536 1.300 -2.454 1.00 0.00 O ATOM 0 H ASP A 271 9.626 3.479 2.061 1.00 0.00 H new ATOM 0 HA ASP A 271 8.580 3.970 -0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 271 11.136 3.968 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 271 11.083 2.289 -0.285 1.00 0.00 H new ATOM 79 N MET A 272 7.593 2.144 1.296 1.00 0.00 N ATOM 80 CA MET A 272 6.710 1.028 1.623 1.00 0.00 C ATOM 81 C MET A 272 5.463 1.512 2.325 1.00 0.00 C ATOM 82 O MET A 272 4.848 0.798 3.125 1.00 0.00 O ATOM 83 CB MET A 272 7.470 -0.008 2.497 1.00 0.00 C ATOM 84 CG MET A 272 6.988 -1.470 2.381 1.00 0.00 C ATOM 85 SD MET A 272 7.594 -2.425 3.781 1.00 0.00 S ATOM 86 CE MET A 272 6.088 -3.332 4.157 1.00 0.00 C ATOM 0 H MET A 272 7.471 2.963 1.892 1.00 0.00 H new ATOM 0 HA MET A 272 6.400 0.546 0.696 1.00 0.00 H new ATOM 0 HB2 MET A 272 8.527 0.028 2.233 1.00 0.00 H new ATOM 0 HB3 MET A 272 7.392 0.298 3.540 1.00 0.00 H new ATOM 0 HG2 MET A 272 5.899 -1.502 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 272 7.345 -1.907 1.449 1.00 0.00 H new ATOM 0 HE1 MET A 272 6.262 -3.989 5.009 1.00 0.00 H new ATOM 0 HE2 MET A 272 5.290 -2.629 4.398 1.00 0.00 H new ATOM 0 HE3 MET A 272 5.797 -3.928 3.292 1.00 0.00 H new ATOM 96 N GLN A 273 5.051 2.726 2.013 1.00 0.00 N ATOM 97 CA GLN A 273 3.963 3.383 2.732 1.00 0.00 C ATOM 98 C GLN A 273 3.289 4.419 1.863 1.00 0.00 C ATOM 99 O GLN A 273 2.848 5.475 2.331 1.00 0.00 O ATOM 100 CB GLN A 273 4.532 4.026 4.015 1.00 0.00 C ATOM 101 CG GLN A 273 4.579 3.117 5.288 1.00 0.00 C ATOM 102 CD GLN A 273 3.318 2.967 6.148 1.00 0.00 C ATOM 103 OE1 GLN A 273 2.218 3.273 5.715 1.00 0.00 O ATOM 104 NE2 GLN A 273 3.414 2.529 7.378 1.00 0.00 N ATOM 0 H GLN A 273 5.454 3.285 1.261 1.00 0.00 H new ATOM 0 HA GLN A 273 3.207 2.645 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 273 5.544 4.371 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 273 3.936 4.909 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 273 4.878 2.119 4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 273 5.372 3.496 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 273 4.324 2.269 7.757 1.00 0.00 H new ATOM 0 HE22 GLN A 273 2.578 2.448 7.957 1.00 0.00 H new ATOM 113 N ARG A 274 3.172 4.120 0.583 1.00 0.00 N ATOM 114 CA ARG A 274 2.697 5.090 -0.400 1.00 0.00 C ATOM 115 C ARG A 274 2.192 4.396 -1.643 1.00 0.00 C ATOM 116 O ARG A 274 1.011 4.478 -2.001 1.00 0.00 O ATOM 117 CB ARG A 274 3.849 6.078 -0.730 1.00 0.00 C ATOM 118 CG ARG A 274 3.452 7.578 -0.708 1.00 0.00 C ATOM 119 CD ARG A 274 4.181 8.395 -1.782 1.00 0.00 C ATOM 120 NE ARG A 274 4.253 9.806 -1.327 1.00 0.00 N ATOM 121 CZ ARG A 274 3.234 10.654 -1.281 1.00 0.00 C ATOM 122 NH1 ARG A 274 2.017 10.357 -1.630 1.00 0.00 N ATOM 123 NH2 ARG A 274 3.473 11.847 -0.864 1.00 0.00 N ATOM 0 H ARG A 274 3.400 3.206 0.192 1.00 0.00 H new ATOM 0 HA ARG A 274 1.858 5.648 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 274 4.658 5.921 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 274 4.243 5.836 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 274 2.376 7.668 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 274 3.674 7.995 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 274 5.183 7.998 -1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 274 3.652 8.329 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 274 5.163 10.153 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 274 1.797 9.419 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 274 1.282 11.062 -1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 274 4.418 12.110 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 274 2.717 12.530 -0.813 1.00 0.00 H new ATOM 137 N GLN A 275 3.084 3.706 -2.329 1.00 0.00 N ATOM 138 CA GLN A 275 2.706 2.857 -3.455 1.00 0.00 C ATOM 139 C GLN A 275 2.156 1.534 -2.975 1.00 0.00 C ATOM 140 O GLN A 275 1.236 0.959 -3.569 1.00 0.00 O ATOM 141 CB GLN A 275 3.944 2.647 -4.355 1.00 0.00 C ATOM 142 CG GLN A 275 4.099 3.638 -5.556 1.00 0.00 C ATOM 143 CD GLN A 275 3.837 3.134 -6.980 1.00 0.00 C ATOM 144 OE1 GLN A 275 4.144 2.001 -7.315 1.00 0.00 O ATOM 145 NE2 GLN A 275 3.260 3.918 -7.855 1.00 0.00 N ATOM 0 H GLN A 275 4.084 3.714 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 275 1.917 3.344 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 275 4.836 2.720 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 275 3.913 1.632 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 275 3.428 4.478 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 275 5.116 4.030 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 275 2.996 4.868 -7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 275 3.074 3.579 -8.799 1.00 0.00 H new ATOM 154 N TRP A 276 2.726 1.016 -1.903 1.00 0.00 N ATOM 155 CA TRP A 276 2.281 -0.251 -1.327 1.00 0.00 C ATOM 156 C TRP A 276 0.973 -0.079 -0.590 1.00 0.00 C ATOM 157 O TRP A 276 0.150 -0.996 -0.501 1.00 0.00 O ATOM 158 CB TRP A 276 3.370 -0.779 -0.353 1.00 0.00 C ATOM 159 CG TRP A 276 2.911 -1.917 0.565 1.00 0.00 C ATOM 160 CD1 TRP A 276 2.620 -1.815 1.940 1.00 0.00 C ATOM 161 CD2 TRP A 276 2.691 -3.237 0.229 1.00 0.00 C ATOM 162 NE1 TRP A 276 2.213 -3.052 2.477 1.00 0.00 N ATOM 163 CE2 TRP A 276 2.265 -3.918 1.396 1.00 0.00 C ATOM 164 CE3 TRP A 276 2.831 -3.930 -1.003 1.00 0.00 C ATOM 165 CZ2 TRP A 276 1.947 -5.292 1.332 1.00 0.00 C ATOM 166 CZ3 TRP A 276 2.437 -5.266 -1.057 1.00 0.00 C ATOM 167 CH2 TRP A 276 1.989 -5.935 0.091 1.00 0.00 C ATOM 0 H TRP A 276 3.503 1.452 -1.407 1.00 0.00 H new ATOM 0 HA TRP A 276 2.124 -0.968 -2.133 1.00 0.00 H new ATOM 0 HB2 TRP A 276 4.224 -1.123 -0.937 1.00 0.00 H new ATOM 0 HB3 TRP A 276 3.719 0.049 0.264 1.00 0.00 H new ATOM 0 HD1 TRP A 276 2.699 -0.902 2.511 1.00 0.00 H new ATOM 0 HE1 TRP A 276 1.943 -3.262 3.438 1.00 0.00 H new ATOM 0 HE3 TRP A 276 3.232 -3.435 -1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 1.676 -5.836 2.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 2.477 -5.794 -1.998 1.00 0.00 H new ATOM 0 HH2 TRP A 276 1.671 -6.964 0.015 1.00 0.00 H new ATOM 178 N ALA A 277 0.769 1.102 -0.035 1.00 0.00 N ATOM 179 CA ALA A 277 -0.516 1.469 0.552 1.00 0.00 C ATOM 180 C ALA A 277 -1.606 1.519 -0.495 1.00 0.00 C ATOM 181 O ALA A 277 -2.799 1.376 -0.193 1.00 0.00 O ATOM 182 CB ALA A 277 -0.331 2.814 1.277 1.00 0.00 C ATOM 0 H ALA A 277 1.480 1.831 0.024 1.00 0.00 H new ATOM 0 HA ALA A 277 -0.838 0.714 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 277 -1.276 3.117 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 277 0.425 2.707 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 277 -0.011 3.572 0.562 1.00 0.00 H new ATOM 188 N GLY A 278 -1.227 1.751 -1.737 1.00 0.00 N ATOM 189 CA GLY A 278 -2.167 1.708 -2.854 1.00 0.00 C ATOM 190 C GLY A 278 -2.732 0.320 -3.046 1.00 0.00 C ATOM 191 O GLY A 278 -3.951 0.111 -3.065 1.00 0.00 O ATOM 0 H GLY A 278 -0.268 1.973 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -2.980 2.412 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -1.664 2.027 -3.767 1.00 0.00 H new ATOM 195 N LEU A 279 -1.855 -0.651 -3.221 1.00 0.00 N ATOM 196 CA LEU A 279 -2.258 -2.004 -3.595 1.00 0.00 C ATOM 197 C LEU A 279 -3.158 -2.611 -2.543 1.00 0.00 C ATOM 198 O LEU A 279 -4.200 -3.207 -2.847 1.00 0.00 O ATOM 199 CB LEU A 279 -1.009 -2.897 -3.845 1.00 0.00 C ATOM 200 CG LEU A 279 -0.359 -2.887 -5.256 1.00 0.00 C ATOM 201 CD1 LEU A 279 1.178 -2.930 -5.198 1.00 0.00 C ATOM 202 CD2 LEU A 279 -0.872 -4.073 -6.085 1.00 0.00 C ATOM 0 H LEU A 279 -0.848 -0.531 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.825 -1.946 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -0.244 -2.605 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -1.286 -3.926 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.646 -1.948 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.581 -2.921 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 279 1.546 -2.060 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 279 1.498 -3.839 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -0.409 -4.055 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.617 -5.006 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.955 -4.002 -6.191 1.00 0.00 H new ATOM 214 N VAL A 280 -2.782 -2.464 -1.287 1.00 0.00 N ATOM 215 CA VAL A 280 -3.483 -3.116 -0.183 1.00 0.00 C ATOM 216 C VAL A 280 -4.794 -2.425 0.113 1.00 0.00 C ATOM 217 O VAL A 280 -5.825 -3.062 0.358 1.00 0.00 O ATOM 218 CB VAL A 280 -2.560 -3.140 1.100 1.00 0.00 C ATOM 219 CG1 VAL A 280 -3.191 -3.864 2.314 1.00 0.00 C ATOM 220 CG2 VAL A 280 -1.155 -3.782 0.925 1.00 0.00 C ATOM 0 H VAL A 280 -1.987 -1.894 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 280 -3.709 -4.142 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 280 -2.451 -2.069 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 280 -2.497 -3.838 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 280 -4.118 -3.364 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 280 -3.402 -4.900 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 280 -0.615 -3.740 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 280 -1.266 -4.821 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 280 -0.597 -3.235 0.165 1.00 0.00 H new ATOM 230 N GLU A 281 -4.770 -1.105 0.126 1.00 0.00 N ATOM 231 CA GLU A 281 -5.945 -0.314 0.480 1.00 0.00 C ATOM 232 C GLU A 281 -7.104 -0.628 -0.437 1.00 0.00 C ATOM 233 O GLU A 281 -8.261 -0.727 -0.013 1.00 0.00 O ATOM 234 CB GLU A 281 -5.568 1.193 0.413 1.00 0.00 C ATOM 235 CG GLU A 281 -5.491 1.976 1.765 1.00 0.00 C ATOM 236 CD GLU A 281 -6.293 3.272 1.902 1.00 0.00 C ATOM 237 OE1 GLU A 281 -6.589 3.976 0.945 1.00 0.00 O ATOM 238 OE2 GLU A 281 -6.644 3.568 3.184 1.00 0.00 O ATOM 0 H GLU A 281 -3.946 -0.550 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 281 -6.263 -0.563 1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 281 -4.600 1.276 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 281 -6.295 1.694 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 281 -5.813 1.301 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 281 -4.444 2.212 1.953 1.00 0.00 H new ATOM 245 N LYS A 282 -6.812 -0.789 -1.714 1.00 0.00 N ATOM 246 CA LYS A 282 -7.841 -1.029 -2.722 1.00 0.00 C ATOM 247 C LYS A 282 -8.471 -2.390 -2.536 1.00 0.00 C ATOM 248 O LYS A 282 -9.675 -2.583 -2.740 1.00 0.00 O ATOM 249 CB LYS A 282 -7.221 -0.891 -4.140 1.00 0.00 C ATOM 250 CG LYS A 282 -8.248 -0.487 -5.226 1.00 0.00 C ATOM 251 CD LYS A 282 -7.709 -0.503 -6.660 1.00 0.00 C ATOM 252 CE LYS A 282 -6.233 -0.085 -6.649 1.00 0.00 C ATOM 253 NZ LYS A 282 -5.849 0.398 -7.987 1.00 0.00 N ATOM 0 H LYS A 282 -5.863 -0.758 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 282 -8.630 -0.285 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -6.425 -0.147 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.761 -1.838 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -9.102 -1.161 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -8.616 0.514 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -7.814 -1.499 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -8.287 0.177 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -6.071 0.698 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -5.607 -0.930 -6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -4.848 0.681 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -5.989 -0.362 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -6.439 1.216 -8.243 1.00 0.00 H new ATOM 267 N VAL A 283 -7.659 -3.365 -2.173 1.00 0.00 N ATOM 268 CA VAL A 283 -8.131 -4.728 -1.944 1.00 0.00 C ATOM 269 C VAL A 283 -9.011 -4.819 -0.719 1.00 0.00 C ATOM 270 O VAL A 283 -9.798 -5.767 -0.562 1.00 0.00 O ATOM 271 CB VAL A 283 -6.894 -5.705 -1.814 1.00 0.00 C ATOM 272 CG1 VAL A 283 -7.081 -6.933 -0.879 1.00 0.00 C ATOM 273 CG2 VAL A 283 -6.411 -6.288 -3.163 1.00 0.00 C ATOM 0 H VAL A 283 -6.657 -3.241 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 283 -8.738 -5.025 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 283 -6.163 -5.025 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 283 -6.167 -7.527 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 283 -7.299 -6.590 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 283 -7.908 -7.544 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 283 -5.561 -6.948 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 283 -7.220 -6.853 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 283 -6.111 -5.475 -3.824 1.00 0.00 H new ATOM 283 N GLN A 284 -8.884 -3.869 0.188 1.00 0.00 N ATOM 284 CA GLN A 284 -9.737 -3.809 1.373 1.00 0.00 C ATOM 285 C GLN A 284 -11.122 -3.317 1.023 1.00 0.00 C ATOM 286 O GLN A 284 -12.135 -3.811 1.534 1.00 0.00 O ATOM 287 CB GLN A 284 -9.065 -2.888 2.418 1.00 0.00 C ATOM 288 CG GLN A 284 -7.925 -3.536 3.272 1.00 0.00 C ATOM 289 CD GLN A 284 -7.930 -3.354 4.794 1.00 0.00 C ATOM 290 OE1 GLN A 284 -7.500 -2.335 5.310 1.00 0.00 O ATOM 291 NE2 GLN A 284 -8.377 -4.313 5.565 1.00 0.00 N ATOM 0 H GLN A 284 -8.194 -3.120 0.131 1.00 0.00 H new ATOM 0 HA GLN A 284 -9.852 -4.809 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 284 -8.655 -2.021 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 284 -9.835 -2.519 3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 284 -7.934 -4.607 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 284 -6.977 -3.149 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 284 -8.740 -5.172 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 284 -8.362 -4.201 6.579 1.00 0.00 H new ATOM 300 N ALA A 285 -11.191 -2.314 0.167 1.00 0.00 N ATOM 301 CA ALA A 285 -12.466 -1.736 -0.248 1.00 0.00 C ATOM 302 C ALA A 285 -13.414 -2.806 -0.738 1.00 0.00 C ATOM 303 O ALA A 285 -14.540 -2.954 -0.249 1.00 0.00 O ATOM 304 CB ALA A 285 -12.172 -0.669 -1.317 1.00 0.00 C ATOM 0 H ALA A 285 -10.375 -1.876 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 285 -12.968 -1.264 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 285 -13.108 -0.218 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 285 -11.527 0.101 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 285 -11.673 -1.134 -2.167 1.00 0.00 H new ATOM 310 N ALA A 286 -12.968 -3.580 -1.709 1.00 0.00 N ATOM 311 CA ALA A 286 -13.715 -4.741 -2.185 1.00 0.00 C ATOM 312 C ALA A 286 -13.788 -5.819 -1.128 1.00 0.00 C ATOM 313 O ALA A 286 -14.794 -6.528 -0.998 1.00 0.00 O ATOM 314 CB ALA A 286 -13.042 -5.227 -3.481 1.00 0.00 C ATOM 0 H ALA A 286 -12.082 -3.427 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 286 -14.750 -4.472 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 286 -13.576 -6.096 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 286 -13.065 -4.430 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 286 -12.007 -5.500 -3.273 1.00 0.00 H new