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) USER MOD Single : A 275 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.00098) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 284 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 36 N VAL A 269 11.274 3.351 4.949 1.00 0.00 N ATOM 37 CA VAL A 269 9.973 3.489 5.599 1.00 0.00 C ATOM 38 C VAL A 269 9.021 4.288 4.741 1.00 0.00 C ATOM 39 O VAL A 269 7.872 3.898 4.505 1.00 0.00 O ATOM 40 CB VAL A 269 10.148 4.158 7.023 1.00 0.00 C ATOM 41 CG1 VAL A 269 8.899 4.870 7.612 1.00 0.00 C ATOM 42 CG2 VAL A 269 10.619 3.177 8.123 1.00 0.00 C ATOM 0 HA VAL A 269 9.543 2.496 5.731 1.00 0.00 H new ATOM 0 HB VAL A 269 10.908 4.903 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.145 5.287 8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 269 8.588 5.672 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 269 8.087 4.151 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.715 3.710 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 269 9.889 2.374 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 269 11.584 2.755 7.845 1.00 0.00 H new ATOM 52 N GLU A 270 9.481 5.430 4.264 1.00 0.00 N ATOM 53 CA GLU A 270 8.691 6.275 3.373 1.00 0.00 C ATOM 54 C GLU A 270 8.432 5.587 2.053 1.00 0.00 C ATOM 55 O GLU A 270 7.376 5.758 1.428 1.00 0.00 O ATOM 56 CB GLU A 270 9.446 7.619 3.167 1.00 0.00 C ATOM 57 CG GLU A 270 9.153 8.769 4.186 1.00 0.00 C ATOM 58 CD GLU A 270 10.331 9.387 4.943 1.00 0.00 C ATOM 59 OE1 GLU A 270 11.168 8.717 5.534 1.00 0.00 O ATOM 60 OE2 GLU A 270 10.359 10.748 4.897 1.00 0.00 O ATOM 0 H GLU A 270 10.407 5.801 4.479 1.00 0.00 H new ATOM 0 HA GLU A 270 7.718 6.468 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 270 10.516 7.412 3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 270 9.214 7.987 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 270 8.648 9.570 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 270 8.447 8.387 4.924 1.00 0.00 H new ATOM 67 N ASP A 271 9.387 4.798 1.599 1.00 0.00 N ATOM 68 CA ASP A 271 9.306 4.156 0.289 1.00 0.00 C ATOM 69 C ASP A 271 8.767 2.749 0.395 1.00 0.00 C ATOM 70 O ASP A 271 9.150 1.848 -0.363 1.00 0.00 O ATOM 71 CB ASP A 271 10.691 4.189 -0.409 1.00 0.00 C ATOM 72 CG ASP A 271 10.699 4.495 -1.914 1.00 0.00 C ATOM 73 OD1 ASP A 271 10.609 3.368 -2.684 1.00 0.00 O ATOM 74 OD2 ASP A 271 10.796 5.627 -2.364 1.00 0.00 O ATOM 0 H ASP A 271 10.237 4.581 2.119 1.00 0.00 H new ATOM 0 HA ASP A 271 8.602 4.716 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 271 11.307 4.935 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 271 11.172 3.223 -0.256 1.00 0.00 H new ATOM 79 N MET A 272 7.866 2.529 1.334 1.00 0.00 N ATOM 80 CA MET A 272 7.133 1.270 1.429 1.00 0.00 C ATOM 81 C MET A 272 5.745 1.496 1.983 1.00 0.00 C ATOM 82 O MET A 272 5.142 0.619 2.612 1.00 0.00 O ATOM 83 CB MET A 272 7.923 0.260 2.307 1.00 0.00 C ATOM 84 CG MET A 272 8.516 -0.957 1.565 1.00 0.00 C ATOM 85 SD MET A 272 7.300 -2.283 1.499 1.00 0.00 S ATOM 86 CE MET A 272 8.250 -3.557 2.340 1.00 0.00 C ATOM 0 H MET A 272 7.619 3.211 2.051 1.00 0.00 H new ATOM 0 HA MET A 272 7.027 0.852 0.428 1.00 0.00 H new ATOM 0 HB2 MET A 272 8.737 0.794 2.798 1.00 0.00 H new ATOM 0 HB3 MET A 272 7.261 -0.105 3.092 1.00 0.00 H new ATOM 0 HG2 MET A 272 8.811 -0.671 0.555 1.00 0.00 H new ATOM 0 HG3 MET A 272 9.416 -1.302 2.074 1.00 0.00 H new ATOM 0 HE1 MET A 272 7.659 -4.471 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 272 9.167 -3.753 1.784 1.00 0.00 H new ATOM 0 HE3 MET A 272 8.500 -3.220 3.346 1.00 0.00 H new ATOM 96 N GLN A 273 5.209 2.678 1.744 1.00 0.00 N ATOM 97 CA GLN A 273 3.957 3.104 2.362 1.00 0.00 C ATOM 98 C GLN A 273 3.323 4.229 1.576 1.00 0.00 C ATOM 99 O GLN A 273 2.861 5.232 2.131 1.00 0.00 O ATOM 100 CB GLN A 273 4.244 3.540 3.816 1.00 0.00 C ATOM 101 CG GLN A 273 3.448 2.786 4.932 1.00 0.00 C ATOM 102 CD GLN A 273 2.357 3.535 5.707 1.00 0.00 C ATOM 103 OE1 GLN A 273 2.585 4.032 6.799 1.00 0.00 O ATOM 104 NE2 GLN A 273 1.157 3.654 5.197 1.00 0.00 N ATOM 0 H GLN A 273 5.623 3.371 1.120 1.00 0.00 H new ATOM 0 HA GLN A 273 3.251 2.273 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 273 5.309 3.412 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 273 4.031 4.605 3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 273 2.984 1.914 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 273 4.172 2.416 5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 273 0.947 3.246 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 273 0.432 4.155 5.711 1.00 0.00 H new ATOM 113 N ARG A 274 3.267 4.065 0.268 1.00 0.00 N ATOM 114 CA ARG A 274 2.810 5.124 -0.628 1.00 0.00 C ATOM 115 C ARG A 274 2.280 4.549 -1.921 1.00 0.00 C ATOM 116 O ARG A 274 1.087 4.640 -2.234 1.00 0.00 O ATOM 117 CB ARG A 274 3.983 6.109 -0.886 1.00 0.00 C ATOM 118 CG ARG A 274 3.667 7.598 -0.585 1.00 0.00 C ATOM 119 CD ARG A 274 4.539 8.561 -1.402 1.00 0.00 C ATOM 120 NE ARG A 274 3.681 9.218 -2.420 1.00 0.00 N ATOM 121 CZ ARG A 274 3.058 10.379 -2.269 1.00 0.00 C ATOM 122 NH1 ARG A 274 3.119 11.110 -1.195 1.00 0.00 N ATOM 123 NH2 ARG A 274 2.348 10.804 -3.253 1.00 0.00 N ATOM 0 H ARG A 274 3.534 3.202 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 274 1.987 5.665 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 274 4.834 5.804 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 274 4.288 6.022 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 274 2.616 7.794 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 274 3.817 7.790 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 274 4.994 9.307 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 274 5.353 8.020 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 274 3.561 8.736 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 274 3.674 10.799 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 274 2.612 11.994 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 274 2.280 10.253 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 274 1.852 11.692 -3.178 1.00 0.00 H new ATOM 137 N GLN A 275 3.163 3.953 -2.700 1.00 0.00 N ATOM 138 CA GLN A 275 2.764 3.201 -3.887 1.00 0.00 C ATOM 139 C GLN A 275 2.234 1.837 -3.508 1.00 0.00 C ATOM 140 O GLN A 275 1.297 1.310 -4.118 1.00 0.00 O ATOM 141 CB GLN A 275 3.980 3.080 -4.830 1.00 0.00 C ATOM 142 CG GLN A 275 4.979 4.284 -4.829 1.00 0.00 C ATOM 143 CD GLN A 275 6.334 4.132 -4.127 1.00 0.00 C ATOM 144 OE1 GLN A 275 6.878 5.085 -3.592 1.00 0.00 O ATOM 145 NE2 GLN A 275 6.914 2.960 -4.074 1.00 0.00 N ATOM 0 H GLN A 275 4.169 3.972 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 275 1.960 3.729 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 275 4.531 2.178 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 275 3.612 2.941 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 275 5.176 4.548 -5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 275 4.468 5.134 -4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 275 6.474 2.153 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 275 7.806 2.854 -3.591 1.00 0.00 H new ATOM 154 N TRP A 276 2.849 1.230 -2.510 1.00 0.00 N ATOM 155 CA TRP A 276 2.462 -0.103 -2.057 1.00 0.00 C ATOM 156 C TRP A 276 1.185 -0.053 -1.251 1.00 0.00 C ATOM 157 O TRP A 276 0.417 -1.021 -1.188 1.00 0.00 O ATOM 158 CB TRP A 276 3.608 -0.697 -1.193 1.00 0.00 C ATOM 159 CG TRP A 276 3.220 -1.929 -0.369 1.00 0.00 C ATOM 160 CD1 TRP A 276 2.777 -1.923 0.970 1.00 0.00 C ATOM 161 CD2 TRP A 276 3.193 -3.248 -0.770 1.00 0.00 C ATOM 162 NE1 TRP A 276 2.464 -3.221 1.418 1.00 0.00 N ATOM 163 CE2 TRP A 276 2.731 -4.026 0.321 1.00 0.00 C ATOM 164 CE3 TRP A 276 3.555 -3.867 -1.996 1.00 0.00 C ATOM 165 CZ2 TRP A 276 2.590 -5.424 0.180 1.00 0.00 C ATOM 166 CZ3 TRP A 276 3.344 -5.239 -2.131 1.00 0.00 C ATOM 167 CH2 TRP A 276 2.860 -6.006 -1.062 1.00 0.00 C ATOM 0 H TRP A 276 3.626 1.639 -1.991 1.00 0.00 H new ATOM 0 HA TRP A 276 2.286 -0.733 -2.929 1.00 0.00 H new ATOM 0 HB2 TRP A 276 4.438 -0.962 -1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 276 3.971 0.076 -0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 276 2.689 -1.034 1.576 1.00 0.00 H new ATOM 0 HE1 TRP A 276 2.121 -3.503 2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 276 3.983 -3.290 -2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 2.279 -6.032 1.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 3.557 -5.719 -3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 276 2.693 -7.064 -1.200 1.00 0.00 H new ATOM 178 N ALA A 277 0.948 1.068 -0.595 1.00 0.00 N ATOM 179 CA ALA A 277 -0.310 1.298 0.110 1.00 0.00 C ATOM 180 C ALA A 277 -1.468 1.363 -0.858 1.00 0.00 C ATOM 181 O ALA A 277 -2.608 1.009 -0.535 1.00 0.00 O ATOM 182 CB ALA A 277 -0.155 2.585 0.940 1.00 0.00 C ATOM 0 H ALA A 277 1.611 1.840 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 277 -0.535 0.469 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 277 -1.081 2.784 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 277 0.661 2.462 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 277 0.065 3.421 0.277 1.00 0.00 H new ATOM 188 N GLY A 278 -1.199 1.834 -2.062 1.00 0.00 N ATOM 189 CA GLY A 278 -2.206 1.878 -3.118 1.00 0.00 C ATOM 190 C GLY A 278 -2.637 0.485 -3.514 1.00 0.00 C ATOM 191 O GLY A 278 -3.818 0.123 -3.441 1.00 0.00 O ATOM 0 H GLY A 278 -0.286 2.195 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -3.071 2.447 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -1.804 2.399 -3.987 1.00 0.00 H new ATOM 195 N LEU A 279 -1.682 -0.326 -3.927 1.00 0.00 N ATOM 196 CA LEU A 279 -1.972 -1.639 -4.495 1.00 0.00 C ATOM 197 C LEU A 279 -2.772 -2.483 -3.529 1.00 0.00 C ATOM 198 O LEU A 279 -3.759 -3.132 -3.895 1.00 0.00 O ATOM 199 CB LEU A 279 -0.656 -2.361 -4.903 1.00 0.00 C ATOM 200 CG LEU A 279 0.027 -1.958 -6.238 1.00 0.00 C ATOM 201 CD1 LEU A 279 1.384 -1.294 -5.957 1.00 0.00 C ATOM 202 CD2 LEU A 279 0.223 -3.147 -7.194 1.00 0.00 C ATOM 0 H LEU A 279 -0.688 -0.100 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.575 -1.495 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 279 0.067 -2.210 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -0.864 -3.430 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.642 -1.254 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.855 -1.015 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 279 1.234 -0.402 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 279 2.028 -1.993 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.705 -2.803 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 279 0.850 -3.899 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.746 -3.583 -7.436 1.00 0.00 H new ATOM 214 N VAL A 280 -2.354 -2.494 -2.277 1.00 0.00 N ATOM 215 CA VAL A 280 -2.917 -3.398 -1.276 1.00 0.00 C ATOM 216 C VAL A 280 -4.274 -2.927 -0.808 1.00 0.00 C ATOM 217 O VAL A 280 -5.182 -3.723 -0.542 1.00 0.00 O ATOM 218 CB VAL A 280 -1.921 -3.529 -0.055 1.00 0.00 C ATOM 219 CG1 VAL A 280 -2.503 -4.311 1.147 1.00 0.00 C ATOM 220 CG2 VAL A 280 -0.549 -4.195 -0.351 1.00 0.00 C ATOM 0 H VAL A 280 -1.619 -1.883 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 280 -3.052 -4.377 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 280 -1.769 -2.475 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 280 -1.761 -4.358 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 280 -3.396 -3.805 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 280 -2.762 -5.322 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 280 0.044 -4.227 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 280 -0.708 -5.210 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 280 -0.019 -3.616 -1.107 1.00 0.00 H new ATOM 230 N GLU A 281 -4.426 -1.624 -0.668 1.00 0.00 N ATOM 231 CA GLU A 281 -5.611 -1.030 -0.050 1.00 0.00 C ATOM 232 C GLU A 281 -6.817 -1.093 -0.956 1.00 0.00 C ATOM 233 O GLU A 281 -7.964 -0.917 -0.518 1.00 0.00 O ATOM 234 CB GLU A 281 -5.282 0.443 0.333 1.00 0.00 C ATOM 235 CG GLU A 281 -6.331 1.205 1.207 1.00 0.00 C ATOM 236 CD GLU A 281 -6.951 2.488 0.647 1.00 0.00 C ATOM 237 OE1 GLU A 281 -6.250 3.615 0.955 1.00 0.00 O ATOM 238 OE2 GLU A 281 -7.980 2.497 -0.015 1.00 0.00 O ATOM 0 H GLU A 281 -3.735 -0.941 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 281 -5.867 -1.602 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 281 -4.331 0.449 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 281 -5.136 1.007 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 281 -7.143 0.513 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 281 -5.855 1.453 2.156 1.00 0.00 H new ATOM 245 N LYS A 282 -6.594 -1.302 -2.239 1.00 0.00 N ATOM 246 CA LYS A 282 -7.679 -1.565 -3.181 1.00 0.00 C ATOM 247 C LYS A 282 -8.082 -3.021 -3.158 1.00 0.00 C ATOM 248 O LYS A 282 -9.264 -3.371 -3.260 1.00 0.00 O ATOM 249 CB LYS A 282 -7.239 -1.132 -4.607 1.00 0.00 C ATOM 250 CG LYS A 282 -8.406 -0.626 -5.489 1.00 0.00 C ATOM 251 CD LYS A 282 -7.982 0.177 -6.722 1.00 0.00 C ATOM 252 CE LYS A 282 -6.895 1.184 -6.323 1.00 0.00 C ATOM 253 NZ LYS A 282 -7.425 2.553 -6.448 1.00 0.00 N ATOM 0 H LYS A 282 -5.665 -1.296 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 282 -8.552 -0.984 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -6.490 -0.345 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.760 -1.977 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -8.993 -1.484 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -9.062 -0.006 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -7.607 -0.493 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -8.841 0.700 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -6.572 1.000 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -6.019 1.062 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -6.689 3.236 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -7.713 2.725 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -8.248 2.665 -5.822 1.00 0.00 H new ATOM 267 N VAL A 283 -7.104 -3.896 -3.025 1.00 0.00 N ATOM 268 CA VAL A 283 -7.336 -5.335 -3.122 1.00 0.00 C ATOM 269 C VAL A 283 -8.196 -5.825 -1.981 1.00 0.00 C ATOM 270 O VAL A 283 -8.987 -6.766 -2.123 1.00 0.00 O ATOM 271 CB VAL A 283 -5.954 -6.101 -3.153 1.00 0.00 C ATOM 272 CG1 VAL A 283 -6.026 -7.653 -3.145 1.00 0.00 C ATOM 273 CG2 VAL A 283 -5.063 -5.740 -4.366 1.00 0.00 C ATOM 0 H VAL A 283 -6.133 -3.639 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 283 -7.872 -5.538 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 283 -5.526 -5.753 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 283 -5.017 -8.064 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 283 -6.534 -7.989 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 283 -6.578 -7.996 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 283 -4.133 -6.306 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 283 -5.588 -5.986 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 283 -4.840 -4.673 -4.349 1.00 0.00 H new ATOM 283 N GLN A 284 -8.041 -5.210 -0.821 1.00 0.00 N ATOM 284 CA GLN A 284 -8.828 -5.576 0.354 1.00 0.00 C ATOM 285 C GLN A 284 -10.296 -5.289 0.129 1.00 0.00 C ATOM 286 O GLN A 284 -11.156 -6.166 0.263 1.00 0.00 O ATOM 287 CB GLN A 284 -8.305 -4.802 1.583 1.00 0.00 C ATOM 288 CG GLN A 284 -7.642 -3.409 1.325 1.00 0.00 C ATOM 289 CD GLN A 284 -7.961 -2.242 2.269 1.00 0.00 C ATOM 290 OE1 GLN A 284 -8.928 -1.521 2.078 1.00 0.00 O ATOM 291 NE2 GLN A 284 -7.175 -1.991 3.285 1.00 0.00 N ATOM 0 H GLN A 284 -7.377 -4.452 -0.663 1.00 0.00 H new ATOM 0 HA GLN A 284 -8.722 -6.646 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 284 -9.139 -4.657 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 284 -7.577 -5.432 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 284 -6.562 -3.553 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 284 -7.913 -3.098 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 284 -6.363 -2.583 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 284 -7.375 -1.204 3.902 1.00 0.00 H new ATOM 300 N ALA A 285 -10.603 -4.043 -0.183 1.00 0.00 N ATOM 301 CA ALA A 285 -11.973 -3.621 -0.459 1.00 0.00 C ATOM 302 C ALA A 285 -12.661 -4.563 -1.421 1.00 0.00 C ATOM 303 O ALA A 285 -13.872 -4.807 -1.333 1.00 0.00 O ATOM 304 CB ALA A 285 -11.917 -2.175 -0.986 1.00 0.00 C ATOM 0 H ALA A 285 -9.915 -3.293 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 285 -12.572 -3.652 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 285 -12.927 -1.827 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 285 -11.465 -1.530 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 285 -11.319 -2.143 -1.897 1.00 0.00 H new ATOM 310 N ALA A 286 -11.902 -5.132 -2.338 1.00 0.00 N ATOM 311 CA ALA A 286 -12.464 -5.960 -3.402 1.00 0.00 C ATOM 312 C ALA A 286 -12.855 -7.322 -2.880 1.00 0.00 C ATOM 313 O ALA A 286 -13.922 -7.861 -3.200 1.00 0.00 O ATOM 314 CB ALA A 286 -11.426 -6.032 -4.535 1.00 0.00 C ATOM 0 H ALA A 286 -10.887 -5.038 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 286 -13.383 -5.521 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 286 -11.816 -6.645 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 286 -11.221 -5.027 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 286 -10.505 -6.475 -4.157 1.00 0.00 H new