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 80:sc= -0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -1.950 -6.902 0.881 1.00 0.00 N ATOM 2 CA CYS A 409 -1.227 -5.743 1.423 1.00 0.00 C ATOM 3 C CYS A 409 -1.890 -5.307 2.762 1.00 0.00 C ATOM 4 O CYS A 409 -2.991 -4.773 2.746 1.00 0.00 O ATOM 5 CB CYS A 409 -1.251 -4.574 0.409 1.00 0.00 C ATOM 6 SG CYS A 409 -0.874 -5.177 -1.261 1.00 0.00 S ATOM 0 HA CYS A 409 -0.188 -6.018 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.231 -4.097 0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.525 -3.816 0.701 1.00 0.00 H new ATOM 12 N PRO A 410 -1.214 -5.578 3.890 1.00 0.00 N ATOM 13 CA PRO A 410 -1.736 -5.244 5.255 1.00 0.00 C ATOM 14 C PRO A 410 -1.595 -3.731 5.601 1.00 0.00 C ATOM 15 O PRO A 410 -1.269 -2.918 4.745 1.00 0.00 O ATOM 16 CB PRO A 410 -0.871 -6.114 6.182 1.00 0.00 C ATOM 17 CG PRO A 410 0.425 -6.441 5.409 1.00 0.00 C ATOM 18 CD PRO A 410 0.118 -6.240 3.916 1.00 0.00 C ATOM 0 HA PRO A 410 -2.805 -5.439 5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.645 -5.585 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.398 -7.028 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.239 -5.789 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.742 -7.465 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.877 -5.622 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.098 -7.191 3.384 1.00 0.00 H new ATOM 26 N GLU A 411 -1.864 -3.371 6.867 1.00 0.00 N ATOM 27 CA GLU A 411 -1.783 -1.931 7.349 1.00 0.00 C ATOM 28 C GLU A 411 -0.498 -1.240 6.850 1.00 0.00 C ATOM 29 O GLU A 411 0.592 -1.799 6.936 1.00 0.00 O ATOM 30 CB GLU A 411 -1.818 -1.897 8.887 1.00 0.00 C ATOM 31 CG GLU A 411 -3.275 -1.768 9.367 1.00 0.00 C ATOM 32 CD GLU A 411 -3.746 -0.305 9.256 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.241 0.064 8.200 1.00 0.00 O ATOM 34 OE2 GLU A 411 -3.608 0.418 10.229 1.00 0.00 O ATOM 0 H GLU A 411 -2.140 -4.034 7.592 1.00 0.00 H new ATOM 0 HA GLU A 411 -2.639 -1.392 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -1.370 -2.805 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -1.227 -1.059 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -3.920 -2.412 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -3.356 -2.106 10.400 1.00 0.00 H new ATOM 41 N GLY A 412 -0.645 -0.046 6.288 1.00 0.00 N ATOM 42 CA GLY A 412 0.526 0.708 5.720 1.00 0.00 C ATOM 43 C GLY A 412 0.621 0.402 4.219 1.00 0.00 C ATOM 44 O GLY A 412 0.670 1.310 3.403 1.00 0.00 O ATOM 0 H GLY A 412 -1.539 0.437 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.401 1.779 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 412 1.446 0.415 6.225 1.00 0.00 H new ATOM 48 N TYR A 413 0.608 -0.881 3.864 1.00 0.00 N ATOM 49 CA TYR A 413 0.661 -1.320 2.432 1.00 0.00 C ATOM 50 C TYR A 413 -0.761 -1.143 1.834 1.00 0.00 C ATOM 51 O TYR A 413 -1.584 -2.054 1.867 1.00 0.00 O ATOM 52 CB TYR A 413 1.103 -2.809 2.338 1.00 0.00 C ATOM 53 CG TYR A 413 2.301 -3.135 3.225 1.00 0.00 C ATOM 54 CD1 TYR A 413 2.099 -3.541 4.552 1.00 0.00 C ATOM 55 CD2 TYR A 413 3.605 -3.075 2.711 1.00 0.00 C ATOM 56 CE1 TYR A 413 3.186 -3.882 5.359 1.00 0.00 C ATOM 57 CE2 TYR A 413 4.696 -3.415 3.525 1.00 0.00 C ATOM 58 CZ TYR A 413 4.484 -3.820 4.846 1.00 0.00 C ATOM 59 OH TYR A 413 5.558 -4.154 5.645 1.00 0.00 O ATOM 0 H TYR A 413 0.562 -1.650 4.533 1.00 0.00 H new ATOM 0 HA TYR A 413 1.385 -0.723 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.266 -3.449 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.350 -3.044 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 413 1.097 -3.590 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 413 3.769 -2.767 1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 413 3.023 -4.194 6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 413 5.700 -3.364 3.131 1.00 0.00 H new ATOM 0 HH TYR A 413 6.389 -4.058 5.134 1.00 0.00 H new ATOM 69 N ILE A 414 -1.060 0.044 1.322 1.00 0.00 N ATOM 70 CA ILE A 414 -2.437 0.330 0.740 1.00 0.00 C ATOM 71 C ILE A 414 -2.402 0.299 -0.815 1.00 0.00 C ATOM 72 O ILE A 414 -1.408 -0.098 -1.415 1.00 0.00 O ATOM 73 CB ILE A 414 -3.008 1.693 1.297 1.00 0.00 C ATOM 74 CG1 ILE A 414 -2.617 2.935 0.443 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.555 1.926 2.749 1.00 0.00 C ATOM 76 CD1 ILE A 414 -1.114 2.983 0.149 1.00 0.00 C ATOM 0 H ILE A 414 -0.411 0.830 1.281 1.00 0.00 H new ATOM 0 HA ILE A 414 -3.118 -0.459 1.058 1.00 0.00 H new ATOM 0 HB ILE A 414 -4.092 1.590 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.169 2.917 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.912 3.843 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.961 2.871 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -2.916 1.112 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.466 1.960 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -0.888 3.866 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -0.561 3.029 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -0.822 2.088 -0.401 1.00 0.00 H new ATOM 88 N LEU A 415 -3.486 0.717 -1.458 1.00 0.00 N ATOM 89 CA LEU A 415 -3.556 0.737 -2.956 1.00 0.00 C ATOM 90 C LEU A 415 -3.308 2.178 -3.439 1.00 0.00 C ATOM 91 O LEU A 415 -4.015 3.100 -3.037 1.00 0.00 O ATOM 92 CB LEU A 415 -4.943 0.263 -3.450 1.00 0.00 C ATOM 93 CG LEU A 415 -5.117 -1.276 -3.345 1.00 0.00 C ATOM 94 CD1 LEU A 415 -3.996 -2.010 -4.086 1.00 0.00 C ATOM 95 CD2 LEU A 415 -5.123 -1.722 -1.881 1.00 0.00 C ATOM 0 H LEU A 415 -4.331 1.048 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.800 0.061 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.721 0.754 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -5.081 0.571 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 415 -6.073 -1.527 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.144 -3.086 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -4.011 -1.729 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.034 -1.738 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -5.246 -2.804 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -4.180 -1.442 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -5.947 -1.238 -1.357 1.00 0.00 H new ATOM 107 N ASP A 416 -2.309 2.379 -4.288 1.00 0.00 N ATOM 108 CA ASP A 416 -1.993 3.769 -4.806 1.00 0.00 C ATOM 109 C ASP A 416 -3.036 4.221 -5.871 1.00 0.00 C ATOM 110 O ASP A 416 -4.076 3.590 -6.043 1.00 0.00 O ATOM 111 CB ASP A 416 -0.564 3.778 -5.391 1.00 0.00 C ATOM 112 CG ASP A 416 0.172 5.055 -4.958 1.00 0.00 C ATOM 113 OD1 ASP A 416 0.062 6.049 -5.656 1.00 0.00 O ATOM 114 OD2 ASP A 416 0.830 5.018 -3.932 1.00 0.00 O ATOM 0 H ASP A 416 -1.700 1.642 -4.644 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.047 4.479 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.017 2.899 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.607 3.724 -6.479 1.00 0.00 H new ATOM 119 N ASP A 417 -2.763 5.326 -6.566 1.00 0.00 N ATOM 120 CA ASP A 417 -3.707 5.881 -7.619 1.00 0.00 C ATOM 121 C ASP A 417 -4.116 4.801 -8.656 1.00 0.00 C ATOM 122 O ASP A 417 -5.259 4.775 -9.093 1.00 0.00 O ATOM 123 CB ASP A 417 -3.042 7.088 -8.335 1.00 0.00 C ATOM 124 CG ASP A 417 -1.834 6.645 -9.187 1.00 0.00 C ATOM 125 OD1 ASP A 417 -0.773 6.433 -8.623 1.00 0.00 O ATOM 126 OD2 ASP A 417 -1.996 6.522 -10.391 1.00 0.00 O ATOM 0 H ASP A 417 -1.911 5.873 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.616 6.209 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -3.775 7.584 -8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -2.717 7.818 -7.594 1.00 0.00 H new ATOM 131 N GLY A 418 -3.194 3.922 -9.038 1.00 0.00 N ATOM 132 CA GLY A 418 -3.504 2.840 -10.042 1.00 0.00 C ATOM 133 C GLY A 418 -3.993 1.536 -9.365 1.00 0.00 C ATOM 134 O GLY A 418 -4.028 0.506 -10.020 1.00 0.00 O ATOM 0 H GLY A 418 -2.235 3.914 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.267 3.196 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.613 2.629 -10.632 1.00 0.00 H new ATOM 138 N PHE A 419 -4.367 1.564 -8.072 1.00 0.00 N ATOM 139 CA PHE A 419 -4.852 0.338 -7.345 1.00 0.00 C ATOM 140 C PHE A 419 -3.766 -0.767 -7.382 1.00 0.00 C ATOM 141 O PHE A 419 -3.955 -1.852 -7.925 1.00 0.00 O ATOM 142 CB PHE A 419 -6.190 -0.145 -7.952 1.00 0.00 C ATOM 143 CG PHE A 419 -6.952 -0.946 -6.918 1.00 0.00 C ATOM 144 CD1 PHE A 419 -6.750 -2.328 -6.815 1.00 0.00 C ATOM 145 CD2 PHE A 419 -7.855 -0.306 -6.061 1.00 0.00 C ATOM 146 CE1 PHE A 419 -7.449 -3.068 -5.856 1.00 0.00 C ATOM 147 CE2 PHE A 419 -8.555 -1.047 -5.102 1.00 0.00 C ATOM 148 CZ PHE A 419 -8.352 -2.428 -5.000 1.00 0.00 C ATOM 0 H PHE A 419 -4.349 2.407 -7.498 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.036 0.583 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -6.784 0.709 -8.276 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.002 -0.756 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -6.054 -2.823 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -8.012 0.760 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.292 -4.134 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -9.252 -0.553 -4.441 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.893 -3.000 -4.260 1.00 0.00 H new ATOM 158 N ILE A 420 -2.625 -0.476 -6.784 1.00 0.00 N ATOM 159 CA ILE A 420 -1.483 -1.461 -6.726 1.00 0.00 C ATOM 160 C ILE A 420 -0.883 -1.480 -5.300 1.00 0.00 C ATOM 161 O ILE A 420 -1.073 -0.549 -4.522 1.00 0.00 O ATOM 162 CB ILE A 420 -0.396 -1.123 -7.783 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.155 0.397 -7.897 1.00 0.00 C ATOM 164 CG2 ILE A 420 -0.843 -1.658 -9.149 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.562 0.909 -6.649 1.00 0.00 C ATOM 0 H ILE A 420 -2.434 0.416 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.866 -2.454 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 420 0.536 -1.590 -7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 420 0.442 0.613 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.106 0.916 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.085 -1.425 -9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.975 -2.738 -9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.787 -1.192 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.727 1.983 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.050 0.709 -5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.521 0.401 -6.546 1.00 0.00 H new ATOM 177 N CYS A 421 -0.179 -2.551 -4.955 1.00 0.00 N ATOM 178 CA CYS A 421 0.423 -2.690 -3.576 1.00 0.00 C ATOM 179 C CYS A 421 1.518 -1.628 -3.336 1.00 0.00 C ATOM 180 O CYS A 421 2.642 -1.747 -3.815 1.00 0.00 O ATOM 181 CB CYS A 421 1.001 -4.104 -3.385 1.00 0.00 C ATOM 182 SG CYS A 421 1.002 -4.521 -1.621 1.00 0.00 S ATOM 0 H CYS A 421 0.004 -3.339 -5.577 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.369 -2.530 -2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.407 -4.830 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS A 421 2.015 -4.151 -3.782 1.00 0.00 H new ATOM 187 N THR A 422 1.173 -0.598 -2.582 1.00 0.00 N ATOM 188 CA THR A 422 2.143 0.513 -2.240 1.00 0.00 C ATOM 189 C THR A 422 2.987 0.089 -1.007 1.00 0.00 C ATOM 190 O THR A 422 2.673 -0.896 -0.335 1.00 0.00 O ATOM 191 CB THR A 422 1.350 1.806 -1.905 1.00 0.00 C ATOM 192 OG1 THR A 422 0.326 2.015 -2.877 1.00 0.00 O ATOM 193 CG2 THR A 422 2.284 3.025 -1.894 1.00 0.00 C ATOM 0 H THR A 422 0.243 -0.477 -2.181 1.00 0.00 H new ATOM 0 HA THR A 422 2.801 0.702 -3.088 1.00 0.00 H new ATOM 0 HB THR A 422 0.905 1.686 -0.917 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.444 1.446 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 422 1.710 3.921 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.060 2.882 -1.142 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.746 3.138 -2.875 1.00 0.00 H new ATOM 201 N ASP A 423 4.049 0.830 -0.703 1.00 0.00 N ATOM 202 CA ASP A 423 4.924 0.512 0.480 1.00 0.00 C ATOM 203 C ASP A 423 4.129 0.676 1.809 1.00 0.00 C ATOM 204 O ASP A 423 2.923 0.877 1.809 1.00 0.00 O ATOM 205 CB ASP A 423 6.146 1.454 0.470 1.00 0.00 C ATOM 206 CG ASP A 423 7.023 1.176 -0.761 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.905 0.338 -0.658 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.800 1.808 -1.783 1.00 0.00 O ATOM 0 H ASP A 423 4.343 1.649 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 423 5.259 -0.523 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 423 5.814 2.492 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.729 1.314 1.380 1.00 0.00 H new ATOM 213 N ILE A 424 4.812 0.593 2.938 1.00 0.00 N ATOM 214 CA ILE A 424 4.134 0.733 4.281 1.00 0.00 C ATOM 215 C ILE A 424 3.948 2.230 4.621 1.00 0.00 C ATOM 216 O ILE A 424 2.893 2.618 5.093 1.00 0.00 O ATOM 217 CB ILE A 424 4.941 -0.027 5.376 1.00 0.00 C ATOM 218 CG1 ILE A 424 4.295 0.173 6.761 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.403 0.438 5.425 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.687 -1.145 7.240 1.00 0.00 C ATOM 0 H ILE A 424 5.818 0.433 2.987 1.00 0.00 H new ATOM 0 HA ILE A 424 3.144 0.279 4.241 1.00 0.00 H new ATOM 0 HB ILE A 424 4.923 -1.085 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 424 5.042 0.521 7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.524 0.942 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.935 -0.114 6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.876 0.255 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.438 1.504 5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 424 3.231 -1.001 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.927 -1.474 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.469 -1.901 7.312 1.00 0.00 H new ATOM 232 N ASP A 425 4.956 3.059 4.351 1.00 0.00 N ATOM 233 CA ASP A 425 4.883 4.547 4.611 1.00 0.00 C ATOM 234 C ASP A 425 4.439 4.839 6.079 1.00 0.00 C ATOM 235 O ASP A 425 3.587 5.686 6.336 1.00 0.00 O ATOM 236 CB ASP A 425 3.914 5.180 3.580 1.00 0.00 C ATOM 237 CG ASP A 425 4.346 4.827 2.142 1.00 0.00 C ATOM 238 OD1 ASP A 425 5.248 5.476 1.634 1.00 0.00 O ATOM 239 OD2 ASP A 425 3.766 3.912 1.573 1.00 0.00 O ATOM 0 H ASP A 425 5.843 2.752 3.952 1.00 0.00 H new ATOM 0 HA ASP A 425 5.871 4.993 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 425 2.900 4.823 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 425 3.897 6.263 3.705 1.00 0.00 H new ATOM 244 N GLU A 426 5.041 4.136 7.033 1.00 0.00 N ATOM 245 CA GLU A 426 4.713 4.328 8.494 1.00 0.00 C ATOM 246 C GLU A 426 5.884 4.937 9.208 1.00 0.00 C ATOM 247 O GLU A 426 6.406 4.343 10.150 1.00 0.00 O ATOM 248 CB GLU A 426 4.353 2.963 9.122 1.00 0.00 C ATOM 249 CG GLU A 426 2.898 2.982 9.630 1.00 0.00 C ATOM 250 CD GLU A 426 1.956 2.359 8.586 1.00 0.00 C ATOM 251 OE1 GLU A 426 1.470 3.090 7.739 1.00 0.00 O ATOM 252 OE2 GLU A 426 1.728 1.160 8.659 1.00 0.00 O ATOM 253 OXT GLU A 426 6.358 6.123 8.822 1.00 0.00 O ATOM 0 H GLU A 426 5.754 3.429 6.853 1.00 0.00 H new ATOM 0 HA GLU A 426 3.861 5.002 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 426 4.479 2.170 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 426 5.031 2.743 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 426 2.827 2.431 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 426 2.593 4.007 9.839 1.00 0.00 H new