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= -0.027 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.0103 X(o=0.01,f=0) USER MOD Single : A 21 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N VAL A 8 6.334 4.750 -12.766 1.00 43.21 N ATOM 134 CA VAL A 8 7.362 5.737 -13.076 1.00 22.15 C ATOM 135 C VAL A 8 8.529 5.639 -12.099 1.00 41.33 C ATOM 136 O VAL A 8 9.553 6.301 -12.272 1.00 51.41 O ATOM 137 CB VAL A 8 6.795 7.168 -13.039 1.00 41.51 C ATOM 138 CG1 VAL A 8 7.794 8.154 -13.627 1.00 74.33 C ATOM 139 CG2 VAL A 8 5.468 7.235 -13.781 1.00 25.53 C ATOM 0 HA VAL A 8 7.716 5.521 -14.084 1.00 22.15 H new ATOM 0 HB VAL A 8 6.618 7.443 -11.999 1.00 41.51 H new ATOM 0 HG11 VAL A 8 7.376 9.160 -13.592 1.00 74.33 H new ATOM 0 HG12 VAL A 8 8.717 8.125 -13.049 1.00 74.33 H new ATOM 0 HG13 VAL A 8 8.005 7.884 -14.662 1.00 74.33 H new ATOM 0 HG21 VAL A 8 5.082 8.254 -13.745 1.00 25.53 H new ATOM 0 HG22 VAL A 8 5.617 6.940 -14.820 1.00 25.53 H new ATOM 0 HG23 VAL A 8 4.754 6.559 -13.311 1.00 25.53 H new ATOM 149 N ILE A 9 8.368 4.809 -11.074 1.00 50.43 N ATOM 150 CA ILE A 9 9.409 4.624 -10.071 1.00 61.02 C ATOM 151 C ILE A 9 10.751 4.308 -10.723 1.00 52.04 C ATOM 152 O ILE A 9 11.807 4.642 -10.187 1.00 1.13 O ATOM 153 CB ILE A 9 9.050 3.493 -9.089 1.00 14.50 C ATOM 154 CG1 ILE A 9 10.038 3.469 -7.921 1.00 42.14 C ATOM 155 CG2 ILE A 9 9.036 2.152 -9.807 1.00 44.30 C ATOM 156 CD1 ILE A 9 9.374 3.556 -6.565 1.00 51.43 C ATOM 0 H ILE A 9 7.527 4.254 -10.916 1.00 50.43 H new ATOM 0 HA ILE A 9 9.487 5.562 -9.521 1.00 61.02 H new ATOM 0 HB ILE A 9 8.052 3.680 -8.692 1.00 14.50 H new ATOM 0 HG12 ILE A 9 10.625 2.552 -7.971 1.00 42.14 H new ATOM 0 HG13 ILE A 9 10.736 4.300 -8.029 1.00 42.14 H new ATOM 0 HG21 ILE A 9 8.781 1.363 -9.099 1.00 44.30 H new ATOM 0 HG22 ILE A 9 8.296 2.175 -10.607 1.00 44.30 H new ATOM 0 HG23 ILE A 9 10.021 1.955 -10.230 1.00 44.30 H new ATOM 0 HD11 ILE A 9 10.135 3.534 -5.785 1.00 51.43 H new ATOM 0 HD12 ILE A 9 8.810 4.486 -6.495 1.00 51.43 H new ATOM 0 HD13 ILE A 9 8.698 2.711 -6.436 1.00 51.43 H new ATOM 168 N TRP A 10 10.701 3.664 -11.884 1.00 11.22 N ATOM 169 CA TRP A 10 11.913 3.305 -12.611 1.00 21.41 C ATOM 170 C TRP A 10 12.760 4.539 -12.901 1.00 23.33 C ATOM 171 O TRP A 10 13.971 4.541 -12.673 1.00 32.54 O ATOM 172 CB TRP A 10 11.557 2.597 -13.919 1.00 72.31 C ATOM 173 CG TRP A 10 11.583 1.102 -13.812 1.00 31.02 C ATOM 174 CD1 TRP A 10 10.516 0.255 -13.909 1.00 63.54 C ATOM 175 CD2 TRP A 10 12.732 0.279 -13.584 1.00 42.14 C ATOM 176 NE1 TRP A 10 10.934 -1.046 -13.756 1.00 55.34 N ATOM 177 CE2 TRP A 10 12.289 -1.058 -13.557 1.00 14.43 C ATOM 178 CE3 TRP A 10 14.093 0.541 -13.404 1.00 31.12 C ATOM 179 CZ2 TRP A 10 13.158 -2.126 -13.354 1.00 61.13 C ATOM 180 CZ3 TRP A 10 14.955 -0.521 -13.203 1.00 15.43 C ATOM 181 CH2 TRP A 10 14.485 -1.841 -13.180 1.00 40.40 C ATOM 0 H TRP A 10 9.835 3.380 -12.342 1.00 11.22 H new ATOM 0 HA TRP A 10 12.494 2.627 -11.986 1.00 21.41 H new ATOM 0 HB2 TRP A 10 10.564 2.914 -14.237 1.00 72.31 H new ATOM 0 HB3 TRP A 10 12.255 2.911 -14.695 1.00 72.31 H new ATOM 0 HD1 TRP A 10 9.495 0.562 -14.081 1.00 63.54 H new ATOM 0 HE1 TRP A 10 10.332 -1.869 -13.786 1.00 55.34 H new ATOM 0 HE3 TRP A 10 14.465 1.555 -13.422 1.00 31.12 H new ATOM 0 HZ2 TRP A 10 12.798 -3.144 -13.334 1.00 61.13 H new ATOM 0 HZ3 TRP A 10 16.009 -0.330 -13.061 1.00 15.43 H new ATOM 0 HH2 TRP A 10 15.184 -2.649 -13.022 1.00 40.40 H new ATOM 192 N LEU A 11 12.118 5.587 -13.404 1.00 61.11 N ATOM 193 CA LEU A 11 12.814 6.829 -13.725 1.00 35.51 C ATOM 194 C LEU A 11 13.153 7.606 -12.457 1.00 72.12 C ATOM 195 O LEU A 11 14.156 8.318 -12.403 1.00 70.31 O ATOM 196 CB LEU A 11 11.956 7.692 -14.652 1.00 32.31 C ATOM 197 CG LEU A 11 11.744 7.151 -16.067 1.00 1.44 C ATOM 198 CD1 LEU A 11 10.290 6.756 -16.275 1.00 25.32 C ATOM 199 CD2 LEU A 11 12.171 8.183 -17.101 1.00 24.32 C ATOM 0 H LEU A 11 11.117 5.602 -13.599 1.00 61.11 H new ATOM 0 HA LEU A 11 13.744 6.575 -14.233 1.00 35.51 H new ATOM 0 HB2 LEU A 11 10.980 7.830 -14.187 1.00 32.31 H new ATOM 0 HB3 LEU A 11 12.415 8.678 -14.726 1.00 32.31 H new ATOM 0 HG LEU A 11 12.362 6.262 -16.192 1.00 1.44 H new ATOM 0 HD11 LEU A 11 10.158 6.373 -17.287 1.00 25.32 H new ATOM 0 HD12 LEU A 11 10.017 5.983 -15.556 1.00 25.32 H new ATOM 0 HD13 LEU A 11 9.652 7.628 -16.131 1.00 25.32 H new ATOM 0 HD21 LEU A 11 12.013 7.782 -18.102 1.00 24.32 H new ATOM 0 HD22 LEU A 11 11.579 9.090 -16.976 1.00 24.32 H new ATOM 0 HD23 LEU A 11 13.227 8.418 -16.966 1.00 24.32 H new ATOM 211 N TYR A 12 12.312 7.463 -11.439 1.00 72.11 N ATOM 212 CA TYR A 12 12.522 8.152 -10.171 1.00 63.23 C ATOM 213 C TYR A 12 13.611 7.465 -9.353 1.00 3.44 C ATOM 214 O TYR A 12 14.105 8.017 -8.369 1.00 33.22 O ATOM 215 CB TYR A 12 11.220 8.199 -9.370 1.00 40.33 C ATOM 216 CG TYR A 12 10.111 8.959 -10.062 1.00 51.02 C ATOM 217 CD1 TYR A 12 10.389 10.066 -10.855 1.00 23.51 C ATOM 218 CD2 TYR A 12 8.784 8.569 -9.924 1.00 3.41 C ATOM 219 CE1 TYR A 12 9.379 10.763 -11.488 1.00 71.12 C ATOM 220 CE2 TYR A 12 7.767 9.260 -10.555 1.00 5.04 C ATOM 221 CZ TYR A 12 8.070 10.356 -11.335 1.00 52.32 C ATOM 222 OH TYR A 12 7.061 11.047 -11.966 1.00 14.55 O ATOM 0 H TYR A 12 11.478 6.876 -11.467 1.00 72.11 H new ATOM 0 HA TYR A 12 12.843 9.171 -10.388 1.00 63.23 H new ATOM 0 HB2 TYR A 12 10.885 7.180 -9.177 1.00 40.33 H new ATOM 0 HB3 TYR A 12 11.415 8.659 -8.402 1.00 40.33 H new ATOM 0 HD1 TYR A 12 11.413 10.387 -10.978 1.00 23.51 H new ATOM 0 HD2 TYR A 12 8.544 7.711 -9.313 1.00 3.41 H new ATOM 0 HE1 TYR A 12 9.613 11.622 -12.099 1.00 71.12 H new ATOM 0 HE2 TYR A 12 6.741 8.943 -10.438 1.00 5.04 H new ATOM 0 HH TYR A 12 6.199 10.631 -11.756 1.00 14.55 H new ATOM 232 N SER A 13 13.982 6.258 -9.767 1.00 52.01 N ATOM 233 CA SER A 13 15.010 5.493 -9.072 1.00 2.24 C ATOM 234 C SER A 13 16.125 5.084 -10.030 1.00 54.20 C ATOM 235 O SER A 13 16.818 4.093 -9.806 1.00 22.22 O ATOM 236 CB SER A 13 14.399 4.250 -8.422 1.00 3.23 C ATOM 237 OG SER A 13 14.841 4.106 -7.083 1.00 34.41 O ATOM 0 H SER A 13 13.586 5.788 -10.581 1.00 52.01 H new ATOM 0 HA SER A 13 15.437 6.128 -8.296 1.00 2.24 H new ATOM 0 HB2 SER A 13 13.312 4.322 -8.444 1.00 3.23 H new ATOM 0 HB3 SER A 13 14.672 3.364 -8.996 1.00 3.23 H new ATOM 0 HG SER A 13 14.436 3.306 -6.689 1.00 34.41 H new ATOM 243 N ALA A 14 16.290 5.856 -11.099 1.00 74.13 N ATOM 244 CA ALA A 14 17.320 5.576 -12.092 1.00 1.34 C ATOM 245 C ALA A 14 18.312 6.730 -12.194 1.00 15.45 C ATOM 246 O ALA A 14 19.489 6.526 -12.490 1.00 51.20 O ATOM 247 CB ALA A 14 16.687 5.301 -13.447 1.00 75.22 C ATOM 0 H ALA A 14 15.724 6.680 -11.300 1.00 74.13 H new ATOM 0 HA ALA A 14 17.866 4.689 -11.772 1.00 1.34 H new ATOM 0 HB1 ALA A 14 17.468 5.094 -14.178 1.00 75.22 H new ATOM 0 HB2 ALA A 14 16.024 4.439 -13.371 1.00 75.22 H new ATOM 0 HB3 ALA A 14 16.115 6.173 -13.765 1.00 75.22 H new ATOM 253 N PHE A 15 17.828 7.943 -11.947 1.00 10.32 N ATOM 254 CA PHE A 15 18.672 9.131 -12.013 1.00 31.24 C ATOM 255 C PHE A 15 19.452 9.316 -10.715 1.00 24.04 C ATOM 256 O PHE A 15 20.216 10.270 -10.568 1.00 1.31 O ATOM 257 CB PHE A 15 17.822 10.372 -12.291 1.00 75.12 C ATOM 258 CG PHE A 15 17.707 10.705 -13.751 1.00 62.13 C ATOM 259 CD1 PHE A 15 17.301 9.745 -14.664 1.00 41.15 C ATOM 260 CD2 PHE A 15 18.005 11.978 -14.211 1.00 22.43 C ATOM 261 CE1 PHE A 15 17.196 10.049 -16.009 1.00 32.23 C ATOM 262 CE2 PHE A 15 17.901 12.287 -15.554 1.00 4.32 C ATOM 263 CZ PHE A 15 17.495 11.322 -16.454 1.00 21.33 C ATOM 0 H PHE A 15 16.856 8.129 -11.699 1.00 10.32 H new ATOM 0 HA PHE A 15 19.383 8.996 -12.828 1.00 31.24 H new ATOM 0 HB2 PHE A 15 16.823 10.218 -11.882 1.00 75.12 H new ATOM 0 HB3 PHE A 15 18.254 11.224 -11.765 1.00 75.12 H new ATOM 0 HD1 PHE A 15 17.064 8.749 -14.322 1.00 41.15 H new ATOM 0 HD2 PHE A 15 18.322 12.737 -13.512 1.00 22.43 H new ATOM 0 HE1 PHE A 15 16.880 9.291 -16.711 1.00 32.23 H new ATOM 0 HE2 PHE A 15 18.137 13.283 -15.899 1.00 4.32 H new ATOM 0 HZ PHE A 15 17.411 11.562 -17.504 1.00 21.33 H new ATOM 273 N ARG A 16 19.254 8.397 -9.776 1.00 31.34 N ATOM 274 CA ARG A 16 19.937 8.459 -8.489 1.00 60.21 C ATOM 275 C ARG A 16 20.916 7.298 -8.336 1.00 75.05 C ATOM 276 O ARG A 16 22.044 7.480 -7.881 1.00 71.41 O ATOM 277 CB ARG A 16 18.920 8.436 -7.346 1.00 44.52 C ATOM 278 CG ARG A 16 18.836 9.747 -6.581 1.00 33.24 C ATOM 279 CD ARG A 16 17.871 9.646 -5.409 1.00 42.33 C ATOM 280 NE ARG A 16 16.523 9.288 -5.840 1.00 34.41 N ATOM 281 CZ ARG A 16 15.566 8.893 -5.007 1.00 52.12 C ATOM 282 NH1 ARG A 16 15.808 8.808 -3.706 1.00 60.35 N ATOM 283 NH2 ARG A 16 14.363 8.584 -5.475 1.00 63.32 N ATOM 0 H ARG A 16 18.626 7.600 -9.882 1.00 31.34 H new ATOM 0 HA ARG A 16 20.498 9.393 -8.449 1.00 60.21 H new ATOM 0 HB2 ARG A 16 17.936 8.197 -7.750 1.00 44.52 H new ATOM 0 HB3 ARG A 16 19.182 7.637 -6.653 1.00 44.52 H new ATOM 0 HG2 ARG A 16 19.826 10.021 -6.216 1.00 33.24 H new ATOM 0 HG3 ARG A 16 18.512 10.542 -7.253 1.00 33.24 H new ATOM 0 HD2 ARG A 16 18.236 8.901 -4.702 1.00 42.33 H new ATOM 0 HD3 ARG A 16 17.842 10.599 -4.880 1.00 42.33 H new ATOM 0 HE ARG A 16 16.304 9.344 -6.835 1.00 34.41 H new ATOM 0 HH11 ARG A 16 16.731 9.046 -3.342 1.00 60.35 H new ATOM 0 HH12 ARG A 16 15.071 8.505 -3.069 1.00 60.35 H new ATOM 0 HH21 ARG A 16 14.172 8.650 -6.475 1.00 63.32 H new ATOM 0 HH22 ARG A 16 13.629 8.281 -4.835 1.00 63.32 H new ATOM 297 N GLY A 17 20.474 6.104 -8.720 1.00 61.14 N ATOM 298 CA GLY A 17 21.323 4.931 -8.618 1.00 14.12 C ATOM 299 C GLY A 17 22.139 4.695 -9.873 1.00 20.51 C ATOM 300 O GLY A 17 22.674 3.605 -10.078 1.00 70.12 O ATOM 0 H GLY A 17 19.544 5.928 -9.100 1.00 61.14 H new ATOM 0 HA2 GLY A 17 21.995 5.046 -7.768 1.00 14.12 H new ATOM 0 HA3 GLY A 17 20.705 4.055 -8.420 1.00 14.12 H new ATOM 304 N VAL A 18 22.234 5.717 -10.717 1.00 3.34 N ATOM 305 CA VAL A 18 22.991 5.616 -11.959 1.00 32.32 C ATOM 306 C VAL A 18 23.671 6.937 -12.298 1.00 4.14 C ATOM 307 O VAL A 18 24.199 7.111 -13.396 1.00 34.31 O ATOM 308 CB VAL A 18 22.086 5.201 -13.134 1.00 63.44 C ATOM 309 CG1 VAL A 18 22.924 4.720 -14.309 1.00 63.42 C ATOM 310 CG2 VAL A 18 21.102 4.127 -12.696 1.00 24.54 C ATOM 0 H VAL A 18 21.796 6.625 -10.563 1.00 3.34 H new ATOM 0 HA VAL A 18 23.751 4.849 -11.805 1.00 32.32 H new ATOM 0 HB VAL A 18 21.517 6.073 -13.457 1.00 63.44 H new ATOM 0 HG11 VAL A 18 22.268 4.431 -15.130 1.00 63.42 H new ATOM 0 HG12 VAL A 18 23.584 5.523 -14.638 1.00 63.42 H new ATOM 0 HG13 VAL A 18 23.521 3.861 -14.003 1.00 63.42 H new ATOM 0 HG21 VAL A 18 20.471 3.846 -13.539 1.00 24.54 H new ATOM 0 HG22 VAL A 18 21.650 3.252 -12.346 1.00 24.54 H new ATOM 0 HG23 VAL A 18 20.479 4.512 -11.889 1.00 24.54 H new ATOM 320 N GLN A 19 23.656 7.865 -11.346 1.00 51.33 N ATOM 321 CA GLN A 19 24.272 9.172 -11.545 1.00 31.14 C ATOM 322 C GLN A 19 25.080 9.584 -10.319 1.00 5.21 C ATOM 323 O GLN A 19 26.311 9.519 -10.323 1.00 15.30 O ATOM 324 CB GLN A 19 23.202 10.224 -11.842 1.00 32.12 C ATOM 325 CG GLN A 19 22.465 9.989 -13.150 1.00 74.02 C ATOM 326 CD GLN A 19 23.131 10.674 -14.327 1.00 24.31 C ATOM 327 OE1 GLN A 19 22.941 11.869 -14.554 1.00 5.04 O ATOM 328 NE2 GLN A 19 23.919 9.918 -15.084 1.00 34.04 N ATOM 0 H GLN A 19 23.225 7.736 -10.431 1.00 51.33 H new ATOM 0 HA GLN A 19 24.948 9.101 -12.397 1.00 31.14 H new ATOM 0 HB2 GLN A 19 22.480 10.237 -11.025 1.00 32.12 H new ATOM 0 HB3 GLN A 19 23.670 11.208 -11.870 1.00 32.12 H new ATOM 0 HG2 GLN A 19 22.408 8.918 -13.343 1.00 74.02 H new ATOM 0 HG3 GLN A 19 21.441 10.351 -13.056 1.00 74.02 H new ATOM 0 HE21 GLN A 19 24.048 8.931 -14.859 1.00 34.04 H new ATOM 0 HE22 GLN A 19 24.395 10.324 -15.890 1.00 34.04 H new ATOM 337 N LEU A 20 24.383 10.008 -9.271 1.00 55.53 N ATOM 338 CA LEU A 20 25.036 10.432 -8.038 1.00 14.14 C ATOM 339 C LEU A 20 25.589 9.233 -7.275 1.00 31.42 C ATOM 340 O LEU A 20 26.442 9.379 -6.399 1.00 12.35 O ATOM 341 CB LEU A 20 24.052 11.203 -7.155 1.00 70.51 C ATOM 342 CG LEU A 20 24.663 12.256 -6.231 1.00 12.32 C ATOM 343 CD1 LEU A 20 24.871 13.565 -6.977 1.00 72.11 C ATOM 344 CD2 LEU A 20 23.780 12.471 -5.010 1.00 1.01 C ATOM 0 H LEU A 20 23.365 10.067 -9.251 1.00 55.53 H new ATOM 0 HA LEU A 20 25.867 11.086 -8.302 1.00 14.14 H new ATOM 0 HB2 LEU A 20 23.323 11.694 -7.800 1.00 70.51 H new ATOM 0 HB3 LEU A 20 23.504 10.486 -6.544 1.00 70.51 H new ATOM 0 HG LEU A 20 25.635 11.895 -5.893 1.00 12.32 H new ATOM 0 HD11 LEU A 20 25.307 14.303 -6.303 1.00 72.11 H new ATOM 0 HD12 LEU A 20 25.543 13.401 -7.819 1.00 72.11 H new ATOM 0 HD13 LEU A 20 23.912 13.931 -7.344 1.00 72.11 H new ATOM 0 HD21 LEU A 20 24.230 13.224 -4.363 1.00 1.01 H new ATOM 0 HD22 LEU A 20 22.794 12.809 -5.329 1.00 1.01 H new ATOM 0 HD23 LEU A 20 23.682 11.534 -4.462 1.00 1.01 H new ATOM 356 N THR A 21 25.099 8.044 -7.615 1.00 45.21 N ATOM 357 CA THR A 21 25.545 6.819 -6.964 1.00 2.13 C ATOM 358 C THR A 21 26.417 5.986 -7.896 1.00 41.34 C ATOM 359 O THR A 21 27.228 5.177 -7.446 1.00 30.31 O ATOM 360 CB THR A 21 24.352 5.965 -6.496 1.00 74.04 C ATOM 361 OG1 THR A 21 23.411 6.782 -5.790 1.00 24.11 O ATOM 362 CG2 THR A 21 24.818 4.828 -5.599 1.00 52.25 C ATOM 0 H THR A 21 24.393 7.904 -8.338 1.00 45.21 H new ATOM 0 HA THR A 21 26.131 7.119 -6.095 1.00 2.13 H new ATOM 0 HB THR A 21 23.872 5.538 -7.377 1.00 74.04 H new ATOM 0 HG1 THR A 21 22.635 6.956 -6.362 1.00 24.11 H new ATOM 0 HG21 THR A 21 23.958 4.239 -5.281 1.00 52.25 H new ATOM 0 HG22 THR A 21 25.511 4.191 -6.149 1.00 52.25 H new ATOM 0 HG23 THR A 21 25.320 5.238 -4.723 1.00 52.25 H new ATOM 370 N TYR A 22 26.246 6.190 -9.198 1.00 12.43 N ATOM 371 CA TYR A 22 27.017 5.457 -10.194 1.00 75.54 C ATOM 372 C TYR A 22 28.510 5.725 -10.034 1.00 72.22 C ATOM 373 O TYR A 22 29.339 4.858 -10.306 1.00 64.41 O ATOM 374 CB TYR A 22 26.566 5.843 -11.604 1.00 50.11 C ATOM 375 CG TYR A 22 27.495 5.354 -12.692 1.00 41.22 C ATOM 376 CD1 TYR A 22 27.771 4.000 -12.841 1.00 12.43 C ATOM 377 CD2 TYR A 22 28.098 6.246 -13.571 1.00 30.41 C ATOM 378 CE1 TYR A 22 28.620 3.549 -13.833 1.00 35.01 C ATOM 379 CE2 TYR A 22 28.947 5.803 -14.567 1.00 12.12 C ATOM 380 CZ TYR A 22 29.205 4.454 -14.694 1.00 14.14 C ATOM 381 OH TYR A 22 30.051 4.009 -15.684 1.00 12.44 O ATOM 0 H TYR A 22 25.580 6.857 -9.588 1.00 12.43 H new ATOM 0 HA TYR A 22 26.840 4.392 -10.042 1.00 75.54 H new ATOM 0 HB2 TYR A 22 25.569 5.439 -11.781 1.00 50.11 H new ATOM 0 HB3 TYR A 22 26.486 6.928 -11.667 1.00 50.11 H new ATOM 0 HD1 TYR A 22 27.314 3.288 -12.170 1.00 12.43 H new ATOM 0 HD2 TYR A 22 27.900 7.303 -13.474 1.00 30.41 H new ATOM 0 HE1 TYR A 22 28.825 2.493 -13.934 1.00 35.01 H new ATOM 0 HE2 TYR A 22 29.406 6.509 -15.243 1.00 12.12 H new ATOM 0 HH TYR A 22 30.377 4.773 -16.204 1.00 12.44 H new ATOM 391 N GLU A 23 28.843 6.933 -9.590 1.00 22.40 N ATOM 392 CA GLU A 23 30.236 7.316 -9.393 1.00 63.24 C ATOM 393 C GLU A 23 30.978 6.267 -8.570 1.00 62.31 C ATOM 394 O GLU A 23 30.416 5.672 -7.650 1.00 71.53 O ATOM 395 CB GLU A 23 30.321 8.677 -8.700 1.00 51.32 C ATOM 396 CG GLU A 23 30.211 8.598 -7.187 1.00 23.32 C ATOM 397 CD GLU A 23 30.123 9.964 -6.536 1.00 1.34 C ATOM 398 OE1 GLU A 23 29.099 10.651 -6.733 1.00 2.13 O ATOM 399 OE2 GLU A 23 31.079 10.346 -5.828 1.00 51.43 O ATOM 0 H GLU A 23 28.168 7.662 -9.360 1.00 22.40 H new ATOM 0 HA GLU A 23 30.709 7.385 -10.373 1.00 63.24 H new ATOM 0 HB2 GLU A 23 31.267 9.150 -8.963 1.00 51.32 H new ATOM 0 HB3 GLU A 23 29.527 9.319 -9.080 1.00 51.32 H new ATOM 0 HG2 GLU A 23 29.329 8.015 -6.921 1.00 23.32 H new ATOM 0 HG3 GLU A 23 31.076 8.066 -6.791 1.00 23.32 H new