USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 120 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 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot -110:sc= -0.727 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -1.786 -6.858 0.599 1.00 0.00 N ATOM 2 CA CYS A 409 -1.187 -5.797 1.421 1.00 0.00 C ATOM 3 C CYS A 409 -1.997 -5.652 2.737 1.00 0.00 C ATOM 4 O CYS A 409 -3.185 -5.363 2.681 1.00 0.00 O ATOM 5 CB CYS A 409 -1.188 -4.443 0.666 1.00 0.00 C ATOM 6 SG CYS A 409 -1.047 -4.701 -1.124 1.00 0.00 S ATOM 0 HA CYS A 409 -0.155 -6.069 1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.106 -3.899 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.360 -3.827 1.015 1.00 0.00 H new ATOM 12 N PRO A 410 -1.342 -5.871 3.884 1.00 0.00 N ATOM 13 CA PRO A 410 -2.004 -5.778 5.220 1.00 0.00 C ATOM 14 C PRO A 410 -2.214 -4.304 5.671 1.00 0.00 C ATOM 15 O PRO A 410 -1.928 -3.368 4.930 1.00 0.00 O ATOM 16 CB PRO A 410 -1.036 -6.526 6.150 1.00 0.00 C ATOM 17 CG PRO A 410 0.346 -6.513 5.460 1.00 0.00 C ATOM 18 CD PRO A 410 0.100 -6.229 3.967 1.00 0.00 C ATOM 0 HA PRO A 410 -3.007 -6.204 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.986 -6.042 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.374 -7.548 6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 410 0.988 -5.749 5.897 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.852 -7.469 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.731 -5.416 3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.327 -7.102 3.355 1.00 0.00 H new ATOM 26 N GLU A 411 -2.733 -4.113 6.889 1.00 0.00 N ATOM 27 CA GLU A 411 -3.007 -2.730 7.448 1.00 0.00 C ATOM 28 C GLU A 411 -1.762 -1.824 7.335 1.00 0.00 C ATOM 29 O GLU A 411 -0.652 -2.228 7.675 1.00 0.00 O ATOM 30 CB GLU A 411 -3.432 -2.841 8.923 1.00 0.00 C ATOM 31 CG GLU A 411 -4.959 -3.015 9.009 1.00 0.00 C ATOM 32 CD GLU A 411 -5.664 -1.662 8.796 1.00 0.00 C ATOM 33 OE1 GLU A 411 -5.871 -0.961 9.775 1.00 0.00 O ATOM 34 OE2 GLU A 411 -5.986 -1.353 7.659 1.00 0.00 O ATOM 0 H GLU A 411 -2.979 -4.874 7.523 1.00 0.00 H new ATOM 0 HA GLU A 411 -3.811 -2.281 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -2.932 -3.688 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -3.126 -1.948 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.293 -3.729 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -5.231 -3.425 9.981 1.00 0.00 H new ATOM 41 N GLY A 412 -1.951 -0.610 6.828 1.00 0.00 N ATOM 42 CA GLY A 412 -0.810 0.356 6.639 1.00 0.00 C ATOM 43 C GLY A 412 -0.333 0.312 5.173 1.00 0.00 C ATOM 44 O GLY A 412 -0.032 1.345 4.593 1.00 0.00 O ATOM 0 H GLY A 412 -2.860 -0.250 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -1.128 1.366 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 412 0.012 0.099 7.307 1.00 0.00 H new ATOM 48 N TYR A 413 -0.274 -0.879 4.583 1.00 0.00 N ATOM 49 CA TYR A 413 0.168 -1.049 3.160 1.00 0.00 C ATOM 50 C TYR A 413 -1.040 -0.788 2.230 1.00 0.00 C ATOM 51 O TYR A 413 -1.760 -1.702 1.834 1.00 0.00 O ATOM 52 CB TYR A 413 0.721 -2.481 2.975 1.00 0.00 C ATOM 53 CG TYR A 413 1.846 -2.743 3.961 1.00 0.00 C ATOM 54 CD1 TYR A 413 3.147 -2.336 3.662 1.00 0.00 C ATOM 55 CD2 TYR A 413 1.579 -3.389 5.174 1.00 0.00 C ATOM 56 CE1 TYR A 413 4.183 -2.573 4.571 1.00 0.00 C ATOM 57 CE2 TYR A 413 2.615 -3.628 6.083 1.00 0.00 C ATOM 58 CZ TYR A 413 3.916 -3.220 5.782 1.00 0.00 C ATOM 59 OH TYR A 413 4.939 -3.455 6.678 1.00 0.00 O ATOM 0 H TYR A 413 -0.522 -1.752 5.049 1.00 0.00 H new ATOM 0 HA TYR A 413 0.958 -0.341 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -0.077 -3.208 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.085 -2.609 1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 413 3.354 -1.837 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 413 0.573 -3.703 5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 413 5.189 -2.257 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 413 2.409 -4.128 7.018 1.00 0.00 H new ATOM 0 HH TYR A 413 4.583 -3.912 7.468 1.00 0.00 H new ATOM 69 N ILE A 414 -1.272 0.478 1.912 1.00 0.00 N ATOM 70 CA ILE A 414 -2.442 0.877 1.029 1.00 0.00 C ATOM 71 C ILE A 414 -2.105 0.720 -0.478 1.00 0.00 C ATOM 72 O ILE A 414 -0.965 0.443 -0.857 1.00 0.00 O ATOM 73 CB ILE A 414 -2.863 2.346 1.317 1.00 0.00 C ATOM 74 CG1 ILE A 414 -1.767 3.339 0.863 1.00 0.00 C ATOM 75 CG2 ILE A 414 -3.131 2.535 2.817 1.00 0.00 C ATOM 76 CD1 ILE A 414 -2.413 4.666 0.454 1.00 0.00 C ATOM 0 H ILE A 414 -0.697 1.259 2.228 1.00 0.00 H new ATOM 0 HA ILE A 414 -3.269 0.207 1.265 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.773 2.549 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -1.054 3.504 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -1.208 2.922 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -3.425 3.567 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -3.932 1.866 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -2.226 2.306 3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -1.639 5.364 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.108 4.494 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -2.952 5.085 1.304 1.00 0.00 H new ATOM 88 N LEU A 415 -3.106 0.914 -1.332 1.00 0.00 N ATOM 89 CA LEU A 415 -2.904 0.812 -2.814 1.00 0.00 C ATOM 90 C LEU A 415 -2.783 2.222 -3.425 1.00 0.00 C ATOM 91 O LEU A 415 -3.302 3.197 -2.885 1.00 0.00 O ATOM 92 CB LEU A 415 -4.096 0.086 -3.468 1.00 0.00 C ATOM 93 CG LEU A 415 -4.230 -1.406 -3.043 1.00 0.00 C ATOM 94 CD1 LEU A 415 -4.495 -2.240 -4.291 1.00 0.00 C ATOM 95 CD2 LEU A 415 -2.963 -1.960 -2.361 1.00 0.00 C ATOM 0 H LEU A 415 -4.060 1.140 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 415 -1.990 0.248 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.016 0.612 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -3.991 0.138 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.045 -1.463 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.592 -3.290 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -5.417 -1.903 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.666 -2.124 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -3.122 -3.004 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -2.119 -1.888 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -2.750 -1.380 -1.463 1.00 0.00 H new ATOM 107 N ASP A 416 -2.102 2.324 -4.555 1.00 0.00 N ATOM 108 CA ASP A 416 -1.918 3.656 -5.243 1.00 0.00 C ATOM 109 C ASP A 416 -1.779 3.471 -6.777 1.00 0.00 C ATOM 110 O ASP A 416 -2.052 2.397 -7.302 1.00 0.00 O ATOM 111 CB ASP A 416 -0.660 4.340 -4.660 1.00 0.00 C ATOM 112 CG ASP A 416 -0.984 5.787 -4.263 1.00 0.00 C ATOM 113 OD1 ASP A 416 -0.924 6.649 -5.128 1.00 0.00 O ATOM 114 OD2 ASP A 416 -1.286 6.008 -3.101 1.00 0.00 O ATOM 0 H ASP A 416 -1.664 1.536 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.793 4.282 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.305 3.787 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.144 4.328 -5.396 1.00 0.00 H new ATOM 119 N ASP A 417 -1.369 4.533 -7.482 1.00 0.00 N ATOM 120 CA ASP A 417 -1.185 4.513 -8.984 1.00 0.00 C ATOM 121 C ASP A 417 -2.487 4.048 -9.689 1.00 0.00 C ATOM 122 O ASP A 417 -3.343 4.869 -9.987 1.00 0.00 O ATOM 123 CB ASP A 417 0.022 3.613 -9.347 1.00 0.00 C ATOM 124 CG ASP A 417 1.312 4.163 -8.718 1.00 0.00 C ATOM 125 OD1 ASP A 417 1.938 5.010 -9.336 1.00 0.00 O ATOM 126 OD2 ASP A 417 1.655 3.721 -7.633 1.00 0.00 O ATOM 0 H ASP A 417 -1.151 5.434 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 417 -0.974 5.522 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -0.156 2.597 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 417 0.132 3.561 -10.430 1.00 0.00 H new ATOM 131 N GLY A 418 -2.645 2.748 -9.931 1.00 0.00 N ATOM 132 CA GLY A 418 -3.884 2.205 -10.585 1.00 0.00 C ATOM 133 C GLY A 418 -4.405 1.005 -9.779 1.00 0.00 C ATOM 134 O GLY A 418 -4.718 -0.025 -10.355 1.00 0.00 O ATOM 0 H GLY A 418 -1.951 2.039 -9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.649 2.980 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.665 1.901 -11.609 1.00 0.00 H new ATOM 138 N PHE A 419 -4.476 1.140 -8.451 1.00 0.00 N ATOM 139 CA PHE A 419 -4.954 0.035 -7.541 1.00 0.00 C ATOM 140 C PHE A 419 -3.889 -1.091 -7.501 1.00 0.00 C ATOM 141 O PHE A 419 -4.098 -2.204 -7.973 1.00 0.00 O ATOM 142 CB PHE A 419 -6.339 -0.485 -8.008 1.00 0.00 C ATOM 143 CG PHE A 419 -7.004 -1.268 -6.893 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.762 -0.603 -5.920 1.00 0.00 C ATOM 145 CD2 PHE A 419 -6.863 -2.659 -6.839 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.376 -1.332 -4.895 1.00 0.00 C ATOM 147 CE2 PHE A 419 -7.477 -3.387 -5.814 1.00 0.00 C ATOM 148 CZ PHE A 419 -8.233 -2.723 -4.841 1.00 0.00 C ATOM 0 H PHE A 419 -4.214 1.995 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.082 0.415 -6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -6.971 0.353 -8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.221 -1.118 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -7.872 0.471 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -6.279 -3.171 -7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -8.961 -0.820 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.368 -4.461 -5.774 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.706 -3.284 -4.049 1.00 0.00 H new ATOM 158 N ILE A 420 -2.740 -0.781 -6.923 1.00 0.00 N ATOM 159 CA ILE A 420 -1.608 -1.778 -6.801 1.00 0.00 C ATOM 160 C ILE A 420 -0.948 -1.660 -5.407 1.00 0.00 C ATOM 161 O ILE A 420 -1.030 -0.623 -4.757 1.00 0.00 O ATOM 162 CB ILE A 420 -0.549 -1.568 -7.919 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.272 -0.072 -8.180 1.00 0.00 C ATOM 164 CG2 ILE A 420 -1.049 -2.215 -9.216 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.595 0.515 -7.060 1.00 0.00 C ATOM 0 H ILE A 420 -2.535 0.135 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 420 -2.022 -2.779 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 420 0.381 -2.031 -7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 420 0.231 0.049 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.214 0.473 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.309 -2.070 -10.003 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -1.203 -3.282 -9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.991 -1.753 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.781 1.570 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 420 0.077 0.411 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.544 -0.019 -7.017 1.00 0.00 H new ATOM 177 N CYS A 421 -0.302 -2.728 -4.953 1.00 0.00 N ATOM 178 CA CYS A 421 0.373 -2.737 -3.597 1.00 0.00 C ATOM 179 C CYS A 421 1.492 -1.679 -3.537 1.00 0.00 C ATOM 180 O CYS A 421 2.452 -1.734 -4.298 1.00 0.00 O ATOM 181 CB CYS A 421 0.962 -4.129 -3.307 1.00 0.00 C ATOM 182 SG CYS A 421 0.914 -4.441 -1.522 1.00 0.00 S ATOM 0 H CYS A 421 -0.214 -3.602 -5.472 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.376 -2.497 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.394 -4.894 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.988 -4.185 -3.670 1.00 0.00 H new ATOM 187 N THR A 422 1.353 -0.717 -2.636 1.00 0.00 N ATOM 188 CA THR A 422 2.379 0.378 -2.482 1.00 0.00 C ATOM 189 C THR A 422 3.149 0.189 -1.157 1.00 0.00 C ATOM 190 O THR A 422 2.566 -0.154 -0.130 1.00 0.00 O ATOM 191 CB THR A 422 1.673 1.752 -2.505 1.00 0.00 C ATOM 192 OG1 THR A 422 0.962 1.888 -3.727 1.00 0.00 O ATOM 193 CG2 THR A 422 2.699 2.887 -2.406 1.00 0.00 C ATOM 0 H THR A 422 0.562 -0.647 -1.996 1.00 0.00 H new ATOM 0 HA THR A 422 3.090 0.332 -3.307 1.00 0.00 H new ATOM 0 HB THR A 422 0.992 1.810 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 422 1.401 2.562 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 422 2.183 3.847 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.257 2.793 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 422 3.387 2.830 -3.249 1.00 0.00 H new ATOM 201 N ASP A 423 4.457 0.411 -1.189 1.00 0.00 N ATOM 202 CA ASP A 423 5.319 0.254 0.034 1.00 0.00 C ATOM 203 C ASP A 423 5.120 1.437 1.022 1.00 0.00 C ATOM 204 O ASP A 423 4.260 2.294 0.832 1.00 0.00 O ATOM 205 CB ASP A 423 6.796 0.167 -0.403 1.00 0.00 C ATOM 206 CG ASP A 423 7.038 -1.121 -1.204 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.307 -2.141 -0.587 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.952 -1.065 -2.422 1.00 0.00 O ATOM 0 H ASP A 423 4.964 0.698 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 423 5.030 -0.659 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 423 7.055 1.035 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 423 7.444 0.186 0.473 1.00 0.00 H new ATOM 213 N ILE A 424 5.908 1.460 2.087 1.00 0.00 N ATOM 214 CA ILE A 424 5.812 2.531 3.142 1.00 0.00 C ATOM 215 C ILE A 424 7.195 3.249 3.242 1.00 0.00 C ATOM 216 O ILE A 424 7.906 3.362 2.247 1.00 0.00 O ATOM 217 CB ILE A 424 5.414 1.867 4.505 1.00 0.00 C ATOM 218 CG1 ILE A 424 4.544 0.599 4.306 1.00 0.00 C ATOM 219 CG2 ILE A 424 4.633 2.857 5.379 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.154 0.951 3.736 1.00 0.00 C ATOM 0 H ILE A 424 6.629 0.762 2.269 1.00 0.00 H new ATOM 0 HA ILE A 424 5.051 3.269 2.887 1.00 0.00 H new ATOM 0 HB ILE A 424 6.345 1.580 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 424 5.052 -0.090 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 424 4.428 0.083 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 424 4.365 2.378 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 424 5.252 3.732 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 424 3.726 3.165 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.571 0.039 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.637 1.619 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 424 3.271 1.444 2.771 1.00 0.00 H new ATOM 232 N ASP A 425 7.584 3.715 4.426 1.00 0.00 N ATOM 233 CA ASP A 425 8.911 4.401 4.613 1.00 0.00 C ATOM 234 C ASP A 425 9.790 3.549 5.570 1.00 0.00 C ATOM 235 O ASP A 425 10.512 4.069 6.418 1.00 0.00 O ATOM 236 CB ASP A 425 8.667 5.822 5.178 1.00 0.00 C ATOM 237 CG ASP A 425 7.764 6.630 4.229 1.00 0.00 C ATOM 238 OD1 ASP A 425 8.293 7.249 3.318 1.00 0.00 O ATOM 239 OD2 ASP A 425 6.558 6.616 4.431 1.00 0.00 O ATOM 0 H ASP A 425 7.025 3.644 5.276 1.00 0.00 H new ATOM 0 HA ASP A 425 9.436 4.497 3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 425 8.203 5.754 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 425 9.619 6.336 5.310 1.00 0.00 H new ATOM 244 N GLU A 426 9.723 2.231 5.414 1.00 0.00 N ATOM 245 CA GLU A 426 10.520 1.279 6.270 1.00 0.00 C ATOM 246 C GLU A 426 10.822 0.025 5.502 1.00 0.00 C ATOM 247 O GLU A 426 10.431 -1.063 5.922 1.00 0.00 O ATOM 248 CB GLU A 426 9.713 0.950 7.543 1.00 0.00 C ATOM 249 CG GLU A 426 10.670 0.542 8.677 1.00 0.00 C ATOM 250 CD GLU A 426 9.883 0.317 9.979 1.00 0.00 C ATOM 251 OE1 GLU A 426 9.438 -0.801 10.201 1.00 0.00 O ATOM 252 OE2 GLU A 426 9.746 1.265 10.740 1.00 0.00 O ATOM 253 OXT GLU A 426 11.515 0.091 4.364 1.00 0.00 O ATOM 0 H GLU A 426 9.137 1.773 4.715 1.00 0.00 H new ATOM 0 HA GLU A 426 11.465 1.743 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 426 9.125 1.816 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 426 9.010 0.142 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 426 11.203 -0.369 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 426 11.421 1.318 8.826 1.00 0.00 H new TER 261 GLU A 426