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= -0.0221 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N VAL A 8 6.326 4.565 -12.766 1.00 70.32 N ATOM 134 CA VAL A 8 7.302 5.602 -13.078 1.00 14.41 C ATOM 135 C VAL A 8 8.478 5.559 -12.110 1.00 4.04 C ATOM 136 O VAL A 8 9.467 6.271 -12.286 1.00 41.43 O ATOM 137 CB VAL A 8 6.664 7.004 -13.032 1.00 24.12 C ATOM 138 CG1 VAL A 8 7.609 8.040 -13.622 1.00 21.20 C ATOM 139 CG2 VAL A 8 5.331 7.007 -13.765 1.00 4.03 C ATOM 0 HA VAL A 8 7.660 5.406 -14.089 1.00 14.41 H new ATOM 0 HB VAL A 8 6.480 7.267 -11.990 1.00 24.12 H new ATOM 0 HG11 VAL A 8 7.142 9.024 -13.581 1.00 21.20 H new ATOM 0 HG12 VAL A 8 8.536 8.055 -13.049 1.00 21.20 H new ATOM 0 HG13 VAL A 8 7.827 7.785 -14.659 1.00 21.20 H new ATOM 0 HG21 VAL A 8 4.895 8.005 -13.722 1.00 4.03 H new ATOM 0 HG22 VAL A 8 5.487 6.723 -14.806 1.00 4.03 H new ATOM 0 HG23 VAL A 8 4.654 6.295 -13.293 1.00 4.03 H new ATOM 149 N ILE A 9 8.365 4.719 -11.087 1.00 20.43 N ATOM 150 CA ILE A 9 9.421 4.581 -10.091 1.00 54.10 C ATOM 151 C ILE A 9 10.772 4.335 -10.753 1.00 41.10 C ATOM 152 O ILE A 9 11.814 4.720 -10.222 1.00 32.10 O ATOM 153 CB ILE A 9 9.124 3.430 -9.112 1.00 2.14 C ATOM 154 CG1 ILE A 9 10.135 3.436 -7.963 1.00 15.35 C ATOM 155 CG2 ILE A 9 9.151 2.095 -9.840 1.00 75.21 C ATOM 156 CD1 ILE A 9 9.579 2.889 -6.666 1.00 71.15 C ATOM 0 H ILE A 9 7.553 4.123 -10.926 1.00 20.43 H new ATOM 0 HA ILE A 9 9.457 5.519 -9.536 1.00 54.10 H new ATOM 0 HB ILE A 9 8.127 3.575 -8.696 1.00 2.14 H new ATOM 0 HG12 ILE A 9 11.006 2.847 -8.253 1.00 15.35 H new ATOM 0 HG13 ILE A 9 10.481 4.457 -7.799 1.00 15.35 H new ATOM 0 HG21 ILE A 9 8.939 1.292 -9.135 1.00 75.21 H new ATOM 0 HG22 ILE A 9 8.397 2.095 -10.627 1.00 75.21 H new ATOM 0 HG23 ILE A 9 10.136 1.941 -10.281 1.00 75.21 H new ATOM 0 HD11 ILE A 9 10.350 2.924 -5.896 1.00 71.15 H new ATOM 0 HD12 ILE A 9 8.726 3.492 -6.353 1.00 71.15 H new ATOM 0 HD13 ILE A 9 9.260 1.857 -6.813 1.00 71.15 H new ATOM 168 N TRP A 10 10.747 3.694 -11.916 1.00 32.55 N ATOM 169 CA TRP A 10 11.971 3.398 -12.652 1.00 33.43 C ATOM 170 C TRP A 10 12.756 4.673 -12.938 1.00 14.01 C ATOM 171 O TRP A 10 13.967 4.731 -12.720 1.00 34.31 O ATOM 172 CB TRP A 10 11.641 2.682 -13.963 1.00 22.23 C ATOM 173 CG TRP A 10 11.741 1.190 -13.866 1.00 65.51 C ATOM 174 CD1 TRP A 10 10.718 0.291 -13.966 1.00 13.24 C ATOM 175 CD2 TRP A 10 12.931 0.423 -13.649 1.00 30.21 C ATOM 176 NE1 TRP A 10 11.199 -0.988 -13.823 1.00 41.14 N ATOM 177 CE2 TRP A 10 12.554 -0.934 -13.629 1.00 30.31 C ATOM 178 CE3 TRP A 10 14.278 0.750 -13.472 1.00 12.34 C ATOM 179 CZ2 TRP A 10 13.476 -1.960 -13.437 1.00 51.14 C ATOM 180 CZ3 TRP A 10 15.192 -0.269 -13.281 1.00 54.23 C ATOM 181 CH2 TRP A 10 14.788 -1.610 -13.266 1.00 71.52 C ATOM 0 H TRP A 10 9.893 3.369 -12.370 1.00 32.55 H new ATOM 0 HA TRP A 10 12.588 2.745 -12.035 1.00 33.43 H new ATOM 0 HB2 TRP A 10 10.631 2.952 -14.272 1.00 22.23 H new ATOM 0 HB3 TRP A 10 12.318 3.035 -14.742 1.00 22.23 H new ATOM 0 HD1 TRP A 10 9.682 0.548 -14.133 1.00 13.24 H new ATOM 0 HE1 TRP A 10 10.638 -1.839 -13.856 1.00 41.14 H new ATOM 0 HE3 TRP A 10 14.599 1.781 -13.484 1.00 12.34 H new ATOM 0 HZ2 TRP A 10 13.167 -2.995 -13.424 1.00 51.14 H new ATOM 0 HZ3 TRP A 10 16.235 -0.027 -13.141 1.00 54.23 H new ATOM 0 HH2 TRP A 10 15.527 -2.383 -13.116 1.00 71.52 H new ATOM 192 N LEU A 11 12.060 5.694 -13.427 1.00 32.43 N ATOM 193 CA LEU A 11 12.693 6.970 -13.743 1.00 34.44 C ATOM 194 C LEU A 11 12.996 7.756 -12.472 1.00 13.45 C ATOM 195 O LEU A 11 13.965 8.514 -12.415 1.00 15.15 O ATOM 196 CB LEU A 11 11.791 7.794 -14.664 1.00 25.14 C ATOM 197 CG LEU A 11 11.704 7.322 -16.115 1.00 72.43 C ATOM 198 CD1 LEU A 11 10.740 8.195 -16.904 1.00 2.14 C ATOM 199 CD2 LEU A 11 13.081 7.326 -16.762 1.00 4.13 C ATOM 0 H LEU A 11 11.058 5.663 -13.613 1.00 32.43 H new ATOM 0 HA LEU A 11 13.634 6.765 -14.254 1.00 34.44 H new ATOM 0 HB2 LEU A 11 10.785 7.800 -14.244 1.00 25.14 H new ATOM 0 HB3 LEU A 11 12.145 8.825 -14.659 1.00 25.14 H new ATOM 0 HG LEU A 11 11.325 6.300 -16.121 1.00 72.43 H new ATOM 0 HD11 LEU A 11 10.691 7.844 -17.935 1.00 2.14 H new ATOM 0 HD12 LEU A 11 9.748 8.140 -16.455 1.00 2.14 H new ATOM 0 HD13 LEU A 11 11.089 9.228 -16.889 1.00 2.14 H new ATOM 0 HD21 LEU A 11 12.999 6.987 -17.795 1.00 4.13 H new ATOM 0 HD22 LEU A 11 13.489 8.337 -16.743 1.00 4.13 H new ATOM 0 HD23 LEU A 11 13.743 6.657 -16.212 1.00 4.13 H new ATOM 211 N TYR A 12 12.163 7.570 -11.454 1.00 14.11 N ATOM 212 CA TYR A 12 12.341 8.263 -10.183 1.00 62.52 C ATOM 213 C TYR A 12 13.459 7.622 -9.366 1.00 71.20 C ATOM 214 O TYR A 12 13.909 8.179 -8.365 1.00 45.34 O ATOM 215 CB TYR A 12 11.037 8.249 -9.383 1.00 64.04 C ATOM 216 CG TYR A 12 9.896 8.960 -10.074 1.00 73.24 C ATOM 217 CD1 TYR A 12 10.124 10.081 -10.862 1.00 3.31 C ATOM 218 CD2 TYR A 12 8.588 8.509 -9.940 1.00 62.04 C ATOM 219 CE1 TYR A 12 9.084 10.734 -11.494 1.00 41.23 C ATOM 220 CE2 TYR A 12 7.542 9.155 -10.570 1.00 71.34 C ATOM 221 CZ TYR A 12 7.795 10.267 -11.346 1.00 12.03 C ATOM 222 OH TYR A 12 6.756 10.914 -11.975 1.00 60.32 O ATOM 0 H TYR A 12 11.358 6.945 -11.484 1.00 14.11 H new ATOM 0 HA TYR A 12 12.617 9.296 -10.396 1.00 62.52 H new ATOM 0 HB2 TYR A 12 10.748 7.215 -9.193 1.00 64.04 H new ATOM 0 HB3 TYR A 12 11.210 8.715 -8.413 1.00 64.04 H new ATOM 0 HD1 TYR A 12 11.132 10.448 -10.983 1.00 3.31 H new ATOM 0 HD2 TYR A 12 8.386 7.639 -9.333 1.00 62.04 H new ATOM 0 HE1 TYR A 12 9.279 11.606 -12.101 1.00 41.23 H new ATOM 0 HE2 TYR A 12 6.532 8.791 -10.456 1.00 71.34 H new ATOM 0 HH TYR A 12 5.914 10.457 -11.769 1.00 60.32 H new ATOM 232 N SER A 13 13.902 6.447 -9.801 1.00 61.40 N ATOM 233 CA SER A 13 14.965 5.727 -9.109 1.00 70.23 C ATOM 234 C SER A 13 16.098 5.376 -10.070 1.00 35.15 C ATOM 235 O SER A 13 16.836 4.417 -9.851 1.00 24.52 O ATOM 236 CB SER A 13 14.413 4.453 -8.467 1.00 32.02 C ATOM 237 OG SER A 13 14.858 4.323 -7.128 1.00 31.03 O ATOM 0 H SER A 13 13.542 5.973 -10.629 1.00 61.40 H new ATOM 0 HA SER A 13 15.361 6.376 -8.328 1.00 70.23 H new ATOM 0 HB2 SER A 13 13.323 4.472 -8.491 1.00 32.02 H new ATOM 0 HB3 SER A 13 14.729 3.584 -9.045 1.00 32.02 H new ATOM 0 HG SER A 13 14.490 3.502 -6.739 1.00 31.03 H new ATOM 243 N ALA A 14 16.227 6.161 -11.134 1.00 72.00 N ATOM 244 CA ALA A 14 17.270 5.936 -12.127 1.00 75.43 C ATOM 245 C ALA A 14 18.215 7.129 -12.211 1.00 50.12 C ATOM 246 O ALA A 14 19.406 6.973 -12.481 1.00 70.42 O ATOM 247 CB ALA A 14 16.650 5.654 -13.488 1.00 61.21 C ATOM 0 H ALA A 14 15.622 6.959 -11.331 1.00 72.00 H new ATOM 0 HA ALA A 14 17.851 5.067 -11.817 1.00 75.43 H new ATOM 0 HB1 ALA A 14 17.440 5.488 -14.220 1.00 61.21 H new ATOM 0 HB2 ALA A 14 16.021 4.766 -13.424 1.00 61.21 H new ATOM 0 HB3 ALA A 14 16.044 6.506 -13.795 1.00 61.21 H new ATOM 253 N PHE A 15 17.677 8.322 -11.979 1.00 32.21 N ATOM 254 CA PHE A 15 18.473 9.543 -12.030 1.00 73.41 C ATOM 255 C PHE A 15 19.207 9.769 -10.712 1.00 24.41 C ATOM 256 O PHE A 15 19.919 10.760 -10.547 1.00 74.14 O ATOM 257 CB PHE A 15 17.580 10.746 -12.342 1.00 63.33 C ATOM 258 CG PHE A 15 17.470 11.045 -13.810 1.00 1.41 C ATOM 259 CD1 PHE A 15 17.108 10.054 -14.708 1.00 10.23 C ATOM 260 CD2 PHE A 15 17.729 12.318 -14.292 1.00 1.52 C ATOM 261 CE1 PHE A 15 17.005 10.327 -16.059 1.00 22.31 C ATOM 262 CE2 PHE A 15 17.628 12.597 -15.642 1.00 14.03 C ATOM 263 CZ PHE A 15 17.266 11.600 -16.526 1.00 65.35 C ATOM 0 H PHE A 15 16.693 8.469 -11.754 1.00 32.21 H new ATOM 0 HA PHE A 15 19.212 9.432 -12.823 1.00 73.41 H new ATOM 0 HB2 PHE A 15 16.583 10.562 -11.941 1.00 63.33 H new ATOM 0 HB3 PHE A 15 17.973 11.623 -11.829 1.00 63.33 H new ATOM 0 HD1 PHE A 15 16.904 9.056 -14.348 1.00 10.23 H new ATOM 0 HD2 PHE A 15 18.013 13.101 -13.605 1.00 1.52 H new ATOM 0 HE1 PHE A 15 16.721 9.546 -16.748 1.00 22.31 H new ATOM 0 HE2 PHE A 15 17.832 13.594 -16.005 1.00 14.03 H new ATOM 0 HZ PHE A 15 17.187 11.816 -17.581 1.00 65.35 H new ATOM 273 N ARG A 16 19.029 8.842 -9.776 1.00 2.22 N ATOM 274 CA ARG A 16 19.673 8.940 -8.471 1.00 40.34 C ATOM 275 C ARG A 16 20.704 7.830 -8.289 1.00 41.42 C ATOM 276 O ARG A 16 21.813 8.071 -7.813 1.00 34.11 O ATOM 277 CB ARG A 16 18.628 8.868 -7.356 1.00 41.45 C ATOM 278 CG ARG A 16 17.965 10.203 -7.056 1.00 71.43 C ATOM 279 CD ARG A 16 16.884 10.529 -8.075 1.00 43.41 C ATOM 280 NE ARG A 16 15.569 10.662 -7.454 1.00 71.55 N ATOM 281 CZ ARG A 16 15.183 11.733 -6.771 1.00 50.43 C ATOM 282 NH1 ARG A 16 16.008 12.761 -6.622 1.00 75.12 N ATOM 283 NH2 ARG A 16 13.970 11.779 -6.236 1.00 13.11 N ATOM 0 H ARG A 16 18.444 8.015 -9.897 1.00 2.22 H new ATOM 0 HA ARG A 16 20.185 9.901 -8.418 1.00 40.34 H new ATOM 0 HB2 ARG A 16 17.861 8.145 -7.634 1.00 41.45 H new ATOM 0 HB3 ARG A 16 19.103 8.495 -6.448 1.00 41.45 H new ATOM 0 HG2 ARG A 16 17.529 10.178 -6.057 1.00 71.43 H new ATOM 0 HG3 ARG A 16 18.717 10.992 -7.056 1.00 71.43 H new ATOM 0 HD2 ARG A 16 17.138 11.456 -8.589 1.00 43.41 H new ATOM 0 HD3 ARG A 16 16.850 9.745 -8.831 1.00 43.41 H new ATOM 0 HE ARG A 16 14.910 9.889 -7.550 1.00 71.55 H new ATOM 0 HH11 ARG A 16 16.941 12.730 -7.033 1.00 75.12 H new ATOM 0 HH12 ARG A 16 15.709 13.583 -6.097 1.00 75.12 H new ATOM 0 HH21 ARG A 16 13.332 10.991 -6.349 1.00 13.11 H new ATOM 0 HH22 ARG A 16 13.675 12.603 -5.711 1.00 13.11 H new ATOM 297 N GLY A 17 20.330 6.613 -8.672 1.00 11.14 N ATOM 298 CA GLY A 17 21.233 5.484 -8.542 1.00 12.41 C ATOM 299 C GLY A 17 22.089 5.282 -9.776 1.00 42.21 C ATOM 300 O GLY A 17 22.692 4.224 -9.956 1.00 32.20 O ATOM 0 H GLY A 17 19.418 6.389 -9.070 1.00 11.14 H new ATOM 0 HA2 GLY A 17 21.878 5.636 -7.677 1.00 12.41 H new ATOM 0 HA3 GLY A 17 20.654 4.580 -8.353 1.00 12.41 H new ATOM 304 N VAL A 18 22.143 6.299 -10.631 1.00 13.04 N ATOM 305 CA VAL A 18 22.931 6.228 -11.855 1.00 41.10 C ATOM 306 C VAL A 18 23.543 7.583 -12.194 1.00 30.41 C ATOM 307 O VAL A 18 24.063 7.782 -13.292 1.00 15.25 O ATOM 308 CB VAL A 18 22.078 5.750 -13.045 1.00 11.20 C ATOM 309 CG1 VAL A 18 22.968 5.297 -14.192 1.00 73.04 C ATOM 310 CG2 VAL A 18 21.140 4.633 -12.613 1.00 62.11 C ATOM 0 H VAL A 18 21.650 7.182 -10.498 1.00 13.04 H new ATOM 0 HA VAL A 18 23.729 5.507 -11.677 1.00 41.10 H new ATOM 0 HB VAL A 18 21.473 6.586 -13.395 1.00 11.20 H new ATOM 0 HG11 VAL A 18 22.348 4.963 -15.024 1.00 73.04 H new ATOM 0 HG12 VAL A 18 23.594 6.128 -14.517 1.00 73.04 H new ATOM 0 HG13 VAL A 18 23.601 4.475 -13.858 1.00 73.04 H new ATOM 0 HG21 VAL A 18 20.545 4.307 -13.466 1.00 62.11 H new ATOM 0 HG22 VAL A 18 21.724 3.793 -12.236 1.00 62.11 H new ATOM 0 HG23 VAL A 18 20.478 4.997 -11.827 1.00 62.11 H new ATOM 320 N GLN A 19 23.478 8.510 -11.244 1.00 33.32 N ATOM 321 CA GLN A 19 24.026 9.846 -11.442 1.00 53.33 C ATOM 322 C GLN A 19 24.837 10.288 -10.229 1.00 21.22 C ATOM 323 O GLN A 19 26.069 10.289 -10.259 1.00 55.12 O ATOM 324 CB GLN A 19 22.900 10.847 -11.710 1.00 3.22 C ATOM 325 CG GLN A 19 23.384 12.280 -11.862 1.00 0.32 C ATOM 326 CD GLN A 19 22.730 12.997 -13.027 1.00 33.44 C ATOM 327 OE1 GLN A 19 22.769 12.523 -14.163 1.00 13.24 O ATOM 328 NE2 GLN A 19 22.123 14.145 -12.750 1.00 40.13 N ATOM 0 H GLN A 19 23.051 8.360 -10.330 1.00 33.32 H new ATOM 0 HA GLN A 19 24.689 9.815 -12.307 1.00 53.33 H new ATOM 0 HB2 GLN A 19 22.371 10.553 -12.617 1.00 3.22 H new ATOM 0 HB3 GLN A 19 22.181 10.800 -10.892 1.00 3.22 H new ATOM 0 HG2 GLN A 19 23.179 12.828 -10.942 1.00 0.32 H new ATOM 0 HG3 GLN A 19 24.465 12.281 -12.000 1.00 0.32 H new ATOM 0 HE21 GLN A 19 22.115 14.500 -11.794 1.00 40.13 H new ATOM 0 HE22 GLN A 19 21.664 14.672 -13.493 1.00 40.13 H new ATOM 337 N LEU A 20 24.140 10.662 -9.162 1.00 1.41 N ATOM 338 CA LEU A 20 24.796 11.107 -7.937 1.00 31.21 C ATOM 339 C LEU A 20 25.366 9.922 -7.164 1.00 1.02 C ATOM 340 O LEU A 20 26.207 10.090 -6.280 1.00 21.51 O ATOM 341 CB LEU A 20 23.809 11.877 -7.057 1.00 43.04 C ATOM 342 CG LEU A 20 24.055 13.381 -6.932 1.00 11.02 C ATOM 343 CD1 LEU A 20 23.002 14.160 -7.705 1.00 44.22 C ATOM 344 CD2 LEU A 20 24.063 13.800 -5.469 1.00 30.33 C ATOM 0 H LEU A 20 23.121 10.666 -9.120 1.00 1.41 H new ATOM 0 HA LEU A 20 25.618 11.767 -8.213 1.00 31.21 H new ATOM 0 HB2 LEU A 20 22.805 11.725 -7.453 1.00 43.04 H new ATOM 0 HB3 LEU A 20 23.827 11.442 -6.058 1.00 43.04 H new ATOM 0 HG LEU A 20 25.032 13.607 -7.360 1.00 11.02 H new ATOM 0 HD11 LEU A 20 23.193 15.228 -7.605 1.00 44.22 H new ATOM 0 HD12 LEU A 20 23.043 13.881 -8.758 1.00 44.22 H new ATOM 0 HD13 LEU A 20 22.014 13.929 -7.307 1.00 44.22 H new ATOM 0 HD21 LEU A 20 24.239 14.873 -5.399 1.00 30.33 H new ATOM 0 HD22 LEU A 20 23.101 13.560 -5.017 1.00 30.33 H new ATOM 0 HD23 LEU A 20 24.855 13.267 -4.942 1.00 30.33 H new ATOM 356 N THR A 21 24.904 8.723 -7.504 1.00 25.50 N ATOM 357 CA THR A 21 25.369 7.509 -6.843 1.00 52.32 C ATOM 358 C THR A 21 26.270 6.693 -7.763 1.00 33.13 C ATOM 359 O THR A 21 27.095 5.905 -7.300 1.00 32.13 O ATOM 360 CB THR A 21 24.188 6.631 -6.387 1.00 64.15 C ATOM 361 OG1 THR A 21 23.209 7.434 -5.720 1.00 52.42 O ATOM 362 CG2 THR A 21 24.664 5.525 -5.457 1.00 41.41 C ATOM 0 H THR A 21 24.208 8.566 -8.233 1.00 25.50 H new ATOM 0 HA THR A 21 25.938 7.823 -5.968 1.00 52.32 H new ATOM 0 HB THR A 21 23.741 6.174 -7.270 1.00 64.15 H new ATOM 0 HG1 THR A 21 22.796 8.048 -6.363 1.00 52.42 H new ATOM 0 HG21 THR A 21 23.813 4.918 -5.148 1.00 41.41 H new ATOM 0 HG22 THR A 21 25.387 4.898 -5.978 1.00 41.41 H new ATOM 0 HG23 THR A 21 25.133 5.966 -4.578 1.00 41.41 H new ATOM 370 N TYR A 22 26.107 6.886 -9.067 1.00 2.43 N ATOM 371 CA TYR A 22 26.905 6.166 -10.052 1.00 3.14 C ATOM 372 C TYR A 22 28.395 6.404 -9.825 1.00 1.20 C ATOM 373 O TYR A 22 29.201 5.477 -9.900 1.00 12.22 O ATOM 374 CB TYR A 22 26.518 6.598 -11.467 1.00 61.20 C ATOM 375 CG TYR A 22 27.488 6.132 -12.529 1.00 23.10 C ATOM 376 CD1 TYR A 22 27.880 4.801 -12.604 1.00 74.31 C ATOM 377 CD2 TYR A 22 28.014 7.023 -13.456 1.00 65.54 C ATOM 378 CE1 TYR A 22 28.766 4.370 -13.572 1.00 44.31 C ATOM 379 CE2 TYR A 22 28.901 6.601 -14.429 1.00 35.13 C ATOM 380 CZ TYR A 22 29.274 5.274 -14.482 1.00 54.03 C ATOM 381 OH TYR A 22 30.157 4.850 -15.448 1.00 41.35 O ATOM 0 H TYR A 22 25.429 7.535 -9.467 1.00 2.43 H new ATOM 0 HA TYR A 22 26.704 5.101 -9.937 1.00 3.14 H new ATOM 0 HB2 TYR A 22 25.526 6.210 -11.698 1.00 61.20 H new ATOM 0 HB3 TYR A 22 26.451 7.685 -11.500 1.00 61.20 H new ATOM 0 HD1 TYR A 22 27.485 4.091 -11.893 1.00 74.31 H new ATOM 0 HD2 TYR A 22 27.725 8.063 -13.416 1.00 65.54 H new ATOM 0 HE1 TYR A 22 29.059 3.332 -13.616 1.00 44.31 H new ATOM 0 HE2 TYR A 22 29.300 7.306 -15.143 1.00 35.13 H new ATOM 0 HH TYR A 22 30.418 5.610 -16.009 1.00 41.35 H new ATOM 391 N GLU A 23 28.752 7.654 -9.547 1.00 5.11 N ATOM 392 CA GLU A 23 30.145 8.015 -9.309 1.00 62.23 C ATOM 393 C GLU A 23 30.772 7.103 -8.258 1.00 72.35 C ATOM 394 O GLU A 23 30.119 6.714 -7.289 1.00 5.11 O ATOM 395 CB GLU A 23 30.248 9.474 -8.860 1.00 72.03 C ATOM 396 CG GLU A 23 31.108 10.332 -9.772 1.00 43.33 C ATOM 397 CD GLU A 23 30.970 11.814 -9.480 1.00 64.21 C ATOM 398 OE1 GLU A 23 29.824 12.308 -9.454 1.00 11.42 O ATOM 399 OE2 GLU A 23 32.008 12.478 -9.278 1.00 50.40 O ATOM 0 H GLU A 23 28.097 8.433 -9.481 1.00 5.11 H new ATOM 0 HA GLU A 23 30.690 7.891 -10.245 1.00 62.23 H new ATOM 0 HB2 GLU A 23 29.247 9.902 -8.811 1.00 72.03 H new ATOM 0 HB3 GLU A 23 30.659 9.507 -7.851 1.00 72.03 H new ATOM 0 HG2 GLU A 23 32.152 10.039 -9.661 1.00 43.33 H new ATOM 0 HG3 GLU A 23 30.832 10.143 -10.809 1.00 43.33 H new