USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 135 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 12 TYR OH : rot 180:sc= -0.0232 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.0278 X(o=0.028,f=0) USER MOD Single : A 21 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N VAL A 8 6.481 4.734 -12.618 1.00 2.02 N ATOM 134 CA VAL A 8 7.467 5.712 -13.063 1.00 72.33 C ATOM 135 C VAL A 8 8.628 5.808 -12.081 1.00 2.35 C ATOM 136 O VAL A 8 9.623 6.484 -12.344 1.00 41.33 O ATOM 137 CB VAL A 8 6.836 7.106 -13.234 1.00 42.55 C ATOM 138 CG1 VAL A 8 7.795 8.041 -13.956 1.00 51.31 C ATOM 139 CG2 VAL A 8 5.514 7.005 -13.981 1.00 4.23 C ATOM 0 HA VAL A 8 7.840 5.369 -14.028 1.00 72.33 H new ATOM 0 HB VAL A 8 6.638 7.520 -12.245 1.00 42.55 H new ATOM 0 HG11 VAL A 8 7.332 9.021 -14.068 1.00 51.31 H new ATOM 0 HG12 VAL A 8 8.714 8.137 -13.378 1.00 51.31 H new ATOM 0 HG13 VAL A 8 8.027 7.635 -14.941 1.00 51.31 H new ATOM 0 HG21 VAL A 8 5.082 8.000 -14.093 1.00 4.23 H new ATOM 0 HG22 VAL A 8 5.685 6.571 -14.966 1.00 4.23 H new ATOM 0 HG23 VAL A 8 4.827 6.372 -13.420 1.00 4.23 H new ATOM 149 N ILE A 9 8.495 5.128 -10.947 1.00 71.21 N ATOM 150 CA ILE A 9 9.534 5.136 -9.925 1.00 64.32 C ATOM 151 C ILE A 9 10.895 4.794 -10.523 1.00 21.45 C ATOM 152 O ILE A 9 11.929 5.254 -10.040 1.00 5.41 O ATOM 153 CB ILE A 9 9.218 4.141 -8.793 1.00 64.51 C ATOM 154 CG1 ILE A 9 10.208 4.316 -7.639 1.00 71.03 C ATOM 155 CG2 ILE A 9 9.255 2.713 -9.317 1.00 63.23 C ATOM 156 CD1 ILE A 9 9.708 3.759 -6.325 1.00 1.23 C ATOM 0 H ILE A 9 7.678 4.564 -10.713 1.00 71.21 H new ATOM 0 HA ILE A 9 9.564 6.145 -9.513 1.00 64.32 H new ATOM 0 HB ILE A 9 8.214 4.345 -8.420 1.00 64.51 H new ATOM 0 HG12 ILE A 9 11.146 3.826 -7.899 1.00 71.03 H new ATOM 0 HG13 ILE A 9 10.426 5.377 -7.515 1.00 71.03 H new ATOM 0 HG21 ILE A 9 9.030 2.022 -8.505 1.00 63.23 H new ATOM 0 HG22 ILE A 9 8.515 2.597 -10.109 1.00 63.23 H new ATOM 0 HG23 ILE A 9 10.247 2.496 -9.713 1.00 63.23 H new ATOM 0 HD11 ILE A 9 10.460 3.918 -5.553 1.00 1.23 H new ATOM 0 HD12 ILE A 9 8.785 4.266 -6.042 1.00 1.23 H new ATOM 0 HD13 ILE A 9 9.517 2.691 -6.432 1.00 1.23 H new ATOM 168 N TRP A 10 10.886 3.985 -11.576 1.00 31.44 N ATOM 169 CA TRP A 10 12.120 3.582 -12.241 1.00 30.04 C ATOM 170 C TRP A 10 12.916 4.800 -12.695 1.00 1.52 C ATOM 171 O TRP A 10 14.126 4.880 -12.479 1.00 21.34 O ATOM 172 CB TRP A 10 11.808 2.685 -13.440 1.00 2.12 C ATOM 173 CG TRP A 10 11.901 1.222 -13.127 1.00 54.23 C ATOM 174 CD1 TRP A 10 10.876 0.319 -13.121 1.00 1.21 C ATOM 175 CD2 TRP A 10 13.082 0.494 -12.774 1.00 51.42 C ATOM 176 NE1 TRP A 10 11.349 -0.926 -12.785 1.00 24.31 N ATOM 177 CE2 TRP A 10 12.700 -0.846 -12.568 1.00 55.32 C ATOM 178 CE3 TRP A 10 14.425 0.844 -12.614 1.00 25.50 C ATOM 179 CZ2 TRP A 10 13.613 -1.833 -12.210 1.00 20.35 C ATOM 180 CZ3 TRP A 10 15.331 -0.138 -12.258 1.00 12.23 C ATOM 181 CH2 TRP A 10 14.922 -1.463 -12.059 1.00 71.34 C ATOM 0 H TRP A 10 10.038 3.595 -11.988 1.00 31.44 H new ATOM 0 HA TRP A 10 12.723 3.023 -11.526 1.00 30.04 H new ATOM 0 HB2 TRP A 10 10.804 2.909 -13.801 1.00 2.12 H new ATOM 0 HB3 TRP A 10 12.498 2.921 -14.250 1.00 2.12 H new ATOM 0 HD1 TRP A 10 9.846 0.550 -13.347 1.00 1.21 H new ATOM 0 HE1 TRP A 10 10.786 -1.773 -12.709 1.00 24.31 H new ATOM 0 HE3 TRP A 10 14.750 1.863 -12.766 1.00 25.50 H new ATOM 0 HZ2 TRP A 10 13.300 -2.855 -12.057 1.00 20.35 H new ATOM 0 HZ3 TRP A 10 16.372 0.121 -12.131 1.00 12.23 H new ATOM 0 HH2 TRP A 10 15.654 -2.207 -11.781 1.00 71.34 H new ATOM 192 N LEU A 11 12.231 5.748 -13.325 1.00 13.34 N ATOM 193 CA LEU A 11 12.875 6.964 -13.809 1.00 52.23 C ATOM 194 C LEU A 11 13.148 7.930 -12.661 1.00 41.41 C ATOM 195 O LEU A 11 14.114 8.693 -12.695 1.00 11.31 O ATOM 196 CB LEU A 11 11.999 7.643 -14.865 1.00 24.45 C ATOM 197 CG LEU A 11 11.813 6.877 -16.175 1.00 50.20 C ATOM 198 CD1 LEU A 11 10.762 7.552 -17.043 1.00 1.24 C ATOM 199 CD2 LEU A 11 13.134 6.769 -16.922 1.00 24.31 C ATOM 0 H LEU A 11 11.230 5.698 -13.513 1.00 13.34 H new ATOM 0 HA LEU A 11 13.828 6.686 -14.260 1.00 52.23 H new ATOM 0 HB2 LEU A 11 11.016 7.825 -14.431 1.00 24.45 H new ATOM 0 HB3 LEU A 11 12.431 8.617 -15.095 1.00 24.45 H new ATOM 0 HG LEU A 11 11.469 5.870 -15.939 1.00 50.20 H new ATOM 0 HD11 LEU A 11 10.643 6.993 -17.971 1.00 1.24 H new ATOM 0 HD12 LEU A 11 9.811 7.577 -16.510 1.00 1.24 H new ATOM 0 HD13 LEU A 11 11.077 8.570 -17.271 1.00 1.24 H new ATOM 0 HD21 LEU A 11 12.982 6.221 -17.852 1.00 24.31 H new ATOM 0 HD22 LEU A 11 13.508 7.768 -17.147 1.00 24.31 H new ATOM 0 HD23 LEU A 11 13.860 6.241 -16.304 1.00 24.31 H new ATOM 211 N TYR A 12 12.293 7.891 -11.645 1.00 70.24 N ATOM 212 CA TYR A 12 12.442 8.763 -10.486 1.00 71.15 C ATOM 213 C TYR A 12 13.519 8.236 -9.543 1.00 41.21 C ATOM 214 O TYR A 12 13.899 8.904 -8.582 1.00 1.52 O ATOM 215 CB TYR A 12 11.112 8.887 -9.741 1.00 50.32 C ATOM 216 CG TYR A 12 10.008 9.501 -10.572 1.00 14.03 C ATOM 217 CD1 TYR A 12 10.282 10.495 -11.503 1.00 12.02 C ATOM 218 CD2 TYR A 12 8.690 9.086 -10.426 1.00 35.21 C ATOM 219 CE1 TYR A 12 9.276 11.059 -12.263 1.00 73.11 C ATOM 220 CE2 TYR A 12 7.677 9.643 -11.183 1.00 1.01 C ATOM 221 CZ TYR A 12 7.975 10.629 -12.100 1.00 2.53 C ATOM 222 OH TYR A 12 6.970 11.188 -12.856 1.00 63.31 O ATOM 0 H TYR A 12 11.489 7.265 -11.601 1.00 70.24 H new ATOM 0 HA TYR A 12 12.746 9.748 -10.840 1.00 71.15 H new ATOM 0 HB2 TYR A 12 10.798 7.898 -9.408 1.00 50.32 H new ATOM 0 HB3 TYR A 12 11.261 9.492 -8.846 1.00 50.32 H new ATOM 0 HD1 TYR A 12 11.299 10.833 -11.635 1.00 12.02 H new ATOM 0 HD2 TYR A 12 8.453 8.315 -9.708 1.00 35.21 H new ATOM 0 HE1 TYR A 12 9.506 11.832 -12.981 1.00 73.11 H new ATOM 0 HE2 TYR A 12 6.658 9.308 -11.057 1.00 1.01 H new ATOM 0 HH TYR A 12 6.114 10.773 -12.620 1.00 63.31 H new ATOM 232 N SER A 13 14.007 7.033 -9.826 1.00 64.23 N ATOM 233 CA SER A 13 15.039 6.413 -9.002 1.00 52.24 C ATOM 234 C SER A 13 16.196 5.916 -9.864 1.00 33.55 C ATOM 235 O SER A 13 16.924 5.002 -9.476 1.00 41.42 O ATOM 236 CB SER A 13 14.450 5.252 -8.199 1.00 1.13 C ATOM 237 OG SER A 13 14.846 5.320 -6.840 1.00 15.43 O ATOM 0 H SER A 13 13.705 6.468 -10.619 1.00 64.23 H new ATOM 0 HA SER A 13 15.420 7.166 -8.312 1.00 52.24 H new ATOM 0 HB2 SER A 13 13.362 5.274 -8.266 1.00 1.13 H new ATOM 0 HB3 SER A 13 14.776 4.305 -8.629 1.00 1.13 H new ATOM 0 HG SER A 13 14.456 4.568 -6.347 1.00 15.43 H new ATOM 243 N ALA A 14 16.358 6.523 -11.034 1.00 52.32 N ATOM 244 CA ALA A 14 17.427 6.144 -11.950 1.00 55.52 C ATOM 245 C ALA A 14 18.372 7.314 -12.205 1.00 32.34 C ATOM 246 O ALA A 14 19.564 7.120 -12.445 1.00 12.53 O ATOM 247 CB ALA A 14 16.843 5.640 -13.262 1.00 23.33 C ATOM 0 H ALA A 14 15.763 7.280 -11.371 1.00 52.32 H new ATOM 0 HA ALA A 14 18.001 5.341 -11.487 1.00 55.52 H new ATOM 0 HB1 ALA A 14 17.652 5.360 -13.937 1.00 23.33 H new ATOM 0 HB2 ALA A 14 16.214 4.771 -13.070 1.00 23.33 H new ATOM 0 HB3 ALA A 14 16.244 6.427 -13.720 1.00 23.33 H new ATOM 253 N PHE A 15 17.832 8.527 -12.151 1.00 44.01 N ATOM 254 CA PHE A 15 18.628 9.728 -12.378 1.00 30.04 C ATOM 255 C PHE A 15 19.354 10.148 -11.103 1.00 14.13 C ATOM 256 O PHE A 15 20.059 11.157 -11.081 1.00 62.31 O ATOM 257 CB PHE A 15 17.737 10.870 -12.871 1.00 1.02 C ATOM 258 CG PHE A 15 18.245 11.529 -14.121 1.00 53.14 C ATOM 259 CD1 PHE A 15 18.222 10.857 -15.333 1.00 33.22 C ATOM 260 CD2 PHE A 15 18.744 12.821 -14.086 1.00 24.12 C ATOM 261 CE1 PHE A 15 18.689 11.461 -16.485 1.00 30.23 C ATOM 262 CE2 PHE A 15 19.213 13.430 -15.235 1.00 14.23 C ATOM 263 CZ PHE A 15 19.184 12.749 -16.436 1.00 11.41 C ATOM 0 H PHE A 15 16.847 8.704 -11.952 1.00 44.01 H new ATOM 0 HA PHE A 15 19.372 9.502 -13.141 1.00 30.04 H new ATOM 0 HB2 PHE A 15 16.734 10.484 -13.055 1.00 1.02 H new ATOM 0 HB3 PHE A 15 17.651 11.619 -12.084 1.00 1.02 H new ATOM 0 HD1 PHE A 15 17.835 9.850 -15.378 1.00 33.22 H new ATOM 0 HD2 PHE A 15 18.767 13.359 -13.150 1.00 24.12 H new ATOM 0 HE1 PHE A 15 18.667 10.926 -17.423 1.00 30.23 H new ATOM 0 HE2 PHE A 15 19.601 14.437 -15.193 1.00 14.23 H new ATOM 0 HZ PHE A 15 19.548 13.223 -17.336 1.00 11.41 H new ATOM 273 N ARG A 16 19.174 9.367 -10.042 1.00 41.43 N ATOM 274 CA ARG A 16 19.810 9.659 -8.763 1.00 34.41 C ATOM 275 C ARG A 16 20.834 8.585 -8.408 1.00 30.12 C ATOM 276 O ARG A 16 21.939 8.890 -7.961 1.00 51.11 O ATOM 277 CB ARG A 16 18.757 9.760 -7.658 1.00 32.34 C ATOM 278 CG ARG A 16 17.754 8.618 -7.666 1.00 34.11 C ATOM 279 CD ARG A 16 16.680 8.812 -6.607 1.00 30.14 C ATOM 280 NE ARG A 16 15.814 9.949 -6.907 1.00 31.21 N ATOM 281 CZ ARG A 16 14.991 10.500 -6.022 1.00 32.43 C ATOM 282 NH1 ARG A 16 14.923 10.021 -4.787 1.00 74.42 N ATOM 283 NH2 ARG A 16 14.234 11.532 -6.370 1.00 50.35 N ATOM 0 H ARG A 16 18.594 8.528 -10.043 1.00 41.43 H new ATOM 0 HA ARG A 16 20.327 10.615 -8.852 1.00 34.41 H new ATOM 0 HB2 ARG A 16 19.259 9.785 -6.691 1.00 32.34 H new ATOM 0 HB3 ARG A 16 18.221 10.703 -7.763 1.00 32.34 H new ATOM 0 HG2 ARG A 16 17.289 8.548 -8.649 1.00 34.11 H new ATOM 0 HG3 ARG A 16 18.273 7.675 -7.491 1.00 34.11 H new ATOM 0 HD2 ARG A 16 16.077 7.907 -6.532 1.00 30.14 H new ATOM 0 HD3 ARG A 16 17.152 8.962 -5.636 1.00 30.14 H new ATOM 0 HE ARG A 16 15.843 10.342 -7.848 1.00 31.21 H new ATOM 0 HH11 ARG A 16 15.504 9.228 -4.515 1.00 74.42 H new ATOM 0 HH12 ARG A 16 14.290 10.446 -4.109 1.00 74.42 H new ATOM 0 HH21 ARG A 16 14.283 11.904 -7.319 1.00 50.35 H new ATOM 0 HH22 ARG A 16 13.603 11.954 -5.689 1.00 50.35 H new ATOM 297 N GLY A 17 20.458 7.325 -8.609 1.00 40.54 N ATOM 298 CA GLY A 17 21.355 6.226 -8.305 1.00 34.23 C ATOM 299 C GLY A 17 22.218 5.837 -9.488 1.00 61.22 C ATOM 300 O GLY A 17 22.810 4.757 -9.506 1.00 52.42 O ATOM 0 H GLY A 17 19.548 7.046 -8.977 1.00 40.54 H new ATOM 0 HA2 GLY A 17 21.996 6.505 -7.468 1.00 34.23 H new ATOM 0 HA3 GLY A 17 20.771 5.363 -7.986 1.00 34.23 H new ATOM 304 N VAL A 18 22.290 6.717 -10.481 1.00 51.53 N ATOM 305 CA VAL A 18 23.087 6.460 -11.675 1.00 11.41 C ATOM 306 C VAL A 18 23.723 7.744 -12.198 1.00 75.41 C ATOM 307 O VAL A 18 24.273 7.770 -13.298 1.00 43.53 O ATOM 308 CB VAL A 18 22.236 5.829 -12.793 1.00 12.32 C ATOM 309 CG1 VAL A 18 23.128 5.208 -13.857 1.00 34.11 C ATOM 310 CG2 VAL A 18 21.281 4.795 -12.216 1.00 11.44 C ATOM 0 H VAL A 18 21.806 7.615 -10.483 1.00 51.53 H new ATOM 0 HA VAL A 18 23.872 5.760 -11.387 1.00 11.41 H new ATOM 0 HB VAL A 18 21.644 6.615 -13.263 1.00 12.32 H new ATOM 0 HG11 VAL A 18 22.509 4.767 -14.639 1.00 34.11 H new ATOM 0 HG12 VAL A 18 23.767 5.977 -14.291 1.00 34.11 H new ATOM 0 HG13 VAL A 18 23.748 4.434 -13.405 1.00 34.11 H new ATOM 0 HG21 VAL A 18 20.688 4.359 -13.020 1.00 11.44 H new ATOM 0 HG22 VAL A 18 21.851 4.010 -11.719 1.00 11.44 H new ATOM 0 HG23 VAL A 18 20.619 5.274 -11.495 1.00 11.44 H new ATOM 320 N GLN A 19 23.642 8.805 -11.402 1.00 23.43 N ATOM 321 CA GLN A 19 24.210 10.092 -11.785 1.00 61.33 C ATOM 322 C GLN A 19 25.049 10.676 -10.653 1.00 70.43 C ATOM 323 O GLN A 19 26.280 10.644 -10.698 1.00 74.22 O ATOM 324 CB GLN A 19 23.098 11.070 -12.169 1.00 21.43 C ATOM 325 CG GLN A 19 23.594 12.482 -12.434 1.00 24.24 C ATOM 326 CD GLN A 19 22.491 13.409 -12.904 1.00 5.42 C ATOM 327 OE1 GLN A 19 22.592 14.024 -13.966 1.00 4.52 O ATOM 328 NE2 GLN A 19 21.429 13.515 -12.114 1.00 5.13 N ATOM 0 H GLN A 19 23.189 8.799 -10.488 1.00 23.43 H new ATOM 0 HA GLN A 19 24.858 9.933 -12.647 1.00 61.33 H new ATOM 0 HB2 GLN A 19 22.591 10.699 -13.060 1.00 21.43 H new ATOM 0 HB3 GLN A 19 22.358 11.098 -11.369 1.00 21.43 H new ATOM 0 HG2 GLN A 19 24.038 12.884 -11.523 1.00 24.24 H new ATOM 0 HG3 GLN A 19 24.382 12.451 -13.186 1.00 24.24 H new ATOM 0 HE21 GLN A 19 21.387 12.987 -11.242 1.00 5.13 H new ATOM 0 HE22 GLN A 19 20.655 14.125 -12.379 1.00 5.13 H new ATOM 337 N LEU A 20 24.376 11.209 -9.640 1.00 22.24 N ATOM 338 CA LEU A 20 25.060 11.801 -8.495 1.00 32.12 C ATOM 339 C LEU A 20 25.604 10.720 -7.567 1.00 23.32 C ATOM 340 O LEU A 20 26.476 10.980 -6.736 1.00 74.51 O ATOM 341 CB LEU A 20 24.107 12.717 -7.725 1.00 42.41 C ATOM 342 CG LEU A 20 24.532 14.182 -7.608 1.00 64.53 C ATOM 343 CD1 LEU A 20 23.382 15.032 -7.093 1.00 31.04 C ATOM 344 CD2 LEU A 20 25.745 14.314 -6.699 1.00 22.32 C ATOM 0 H LEU A 20 23.358 11.244 -9.587 1.00 22.24 H new ATOM 0 HA LEU A 20 25.898 12.389 -8.868 1.00 32.12 H new ATOM 0 HB2 LEU A 20 23.130 12.680 -8.208 1.00 42.41 H new ATOM 0 HB3 LEU A 20 23.981 12.315 -6.720 1.00 42.41 H new ATOM 0 HG LEU A 20 24.806 14.542 -8.600 1.00 64.53 H new ATOM 0 HD11 LEU A 20 23.703 16.071 -7.016 1.00 31.04 H new ATOM 0 HD12 LEU A 20 22.541 14.962 -7.783 1.00 31.04 H new ATOM 0 HD13 LEU A 20 23.076 14.673 -6.110 1.00 31.04 H new ATOM 0 HD21 LEU A 20 26.034 15.363 -6.627 1.00 22.32 H new ATOM 0 HD22 LEU A 20 25.499 13.937 -5.706 1.00 22.32 H new ATOM 0 HD23 LEU A 20 26.573 13.737 -7.111 1.00 22.32 H new ATOM 356 N THR A 21 25.086 9.504 -7.715 1.00 4.24 N ATOM 357 CA THR A 21 25.521 8.383 -6.891 1.00 72.01 C ATOM 358 C THR A 21 26.415 7.434 -7.681 1.00 50.43 C ATOM 359 O THR A 21 27.223 6.704 -7.107 1.00 1.42 O ATOM 360 CB THR A 21 24.319 7.595 -6.336 1.00 64.11 C ATOM 361 OG1 THR A 21 23.340 8.499 -5.813 1.00 11.01 O ATOM 362 CG2 THR A 21 24.762 6.631 -5.245 1.00 54.50 C ATOM 0 H THR A 21 24.365 9.271 -8.398 1.00 4.24 H new ATOM 0 HA THR A 21 26.087 8.803 -6.059 1.00 72.01 H new ATOM 0 HB THR A 21 23.881 7.019 -7.152 1.00 64.11 H new ATOM 0 HG1 THR A 21 22.869 8.936 -6.553 1.00 11.01 H new ATOM 0 HG21 THR A 21 23.897 6.086 -4.868 1.00 54.50 H new ATOM 0 HG22 THR A 21 25.485 5.926 -5.654 1.00 54.50 H new ATOM 0 HG23 THR A 21 25.222 7.190 -4.430 1.00 54.50 H new ATOM 370 N TYR A 22 26.266 7.450 -9.001 1.00 52.11 N ATOM 371 CA TYR A 22 27.059 6.589 -9.870 1.00 43.43 C ATOM 372 C TYR A 22 28.551 6.849 -9.679 1.00 74.54 C ATOM 373 O TYR A 22 29.347 5.915 -9.590 1.00 71.34 O ATOM 374 CB TYR A 22 26.675 6.813 -11.334 1.00 14.43 C ATOM 375 CG TYR A 22 27.637 6.184 -12.316 1.00 34.12 C ATOM 376 CD1 TYR A 22 27.910 4.822 -12.274 1.00 43.23 C ATOM 377 CD2 TYR A 22 28.273 6.951 -13.284 1.00 73.53 C ATOM 378 CE1 TYR A 22 28.789 4.243 -13.169 1.00 70.40 C ATOM 379 CE2 TYR A 22 29.152 6.379 -14.184 1.00 14.31 C ATOM 380 CZ TYR A 22 29.407 5.025 -14.122 1.00 53.22 C ATOM 381 OH TYR A 22 30.283 4.453 -15.016 1.00 32.44 O ATOM 0 H TYR A 22 25.603 8.050 -9.492 1.00 52.11 H new ATOM 0 HA TYR A 22 26.851 5.553 -9.601 1.00 43.43 H new ATOM 0 HB2 TYR A 22 25.678 6.408 -11.505 1.00 14.43 H new ATOM 0 HB3 TYR A 22 26.621 7.884 -11.527 1.00 14.43 H new ATOM 0 HD1 TYR A 22 27.427 4.206 -11.530 1.00 43.23 H new ATOM 0 HD2 TYR A 22 28.077 8.012 -13.334 1.00 73.53 H new ATOM 0 HE1 TYR A 22 28.991 3.183 -13.122 1.00 70.40 H new ATOM 0 HE2 TYR A 22 29.637 6.989 -14.932 1.00 14.31 H new ATOM 0 HH TYR A 22 30.630 5.142 -15.621 1.00 32.44 H new ATOM 391 N GLU A 23 28.920 8.124 -9.617 1.00 13.12 N ATOM 392 CA GLU A 23 30.315 8.507 -9.437 1.00 22.24 C ATOM 393 C GLU A 23 30.898 7.864 -8.181 1.00 70.34 C ATOM 394 O GLU A 23 30.244 7.805 -7.140 1.00 20.34 O ATOM 395 CB GLU A 23 30.442 10.029 -9.349 1.00 4.11 C ATOM 396 CG GLU A 23 31.799 10.499 -8.852 1.00 22.10 C ATOM 397 CD GLU A 23 32.172 11.870 -9.382 1.00 13.14 C ATOM 398 OE1 GLU A 23 32.416 11.988 -10.601 1.00 11.23 O ATOM 399 OE2 GLU A 23 32.219 12.824 -8.578 1.00 4.43 O ATOM 0 H GLU A 23 28.273 8.909 -9.689 1.00 13.12 H new ATOM 0 HA GLU A 23 30.877 8.152 -10.301 1.00 22.24 H new ATOM 0 HB2 GLU A 23 30.257 10.458 -10.334 1.00 4.11 H new ATOM 0 HB3 GLU A 23 29.668 10.412 -8.684 1.00 4.11 H new ATOM 0 HG2 GLU A 23 31.794 10.524 -7.762 1.00 22.10 H new ATOM 0 HG3 GLU A 23 32.561 9.779 -9.151 1.00 22.10 H new