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 79:sc= -0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -2.321 -6.629 0.639 1.00 0.00 N ATOM 2 CA CYS A 409 -1.407 -5.715 1.340 1.00 0.00 C ATOM 3 C CYS A 409 -1.997 -5.371 2.738 1.00 0.00 C ATOM 4 O CYS A 409 -3.126 -4.907 2.814 1.00 0.00 O ATOM 5 CB CYS A 409 -1.213 -4.422 0.517 1.00 0.00 C ATOM 6 SG CYS A 409 -0.972 -4.826 -1.237 1.00 0.00 S ATOM 0 HA CYS A 409 -0.438 -6.198 1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.082 -3.775 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.352 -3.869 0.892 1.00 0.00 H new ATOM 12 N PRO A 410 -1.228 -5.633 3.807 1.00 0.00 N ATOM 13 CA PRO A 410 -1.678 -5.380 5.214 1.00 0.00 C ATOM 14 C PRO A 410 -1.625 -3.876 5.604 1.00 0.00 C ATOM 15 O PRO A 410 -1.237 -3.029 4.805 1.00 0.00 O ATOM 16 CB PRO A 410 -0.694 -6.207 6.055 1.00 0.00 C ATOM 17 CG PRO A 410 0.569 -6.414 5.190 1.00 0.00 C ATOM 18 CD PRO A 410 0.148 -6.197 3.726 1.00 0.00 C ATOM 0 HA PRO A 410 -2.721 -5.658 5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.447 -5.689 6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.133 -7.165 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.352 -5.711 5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.974 -7.416 5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.827 -5.513 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.160 -7.133 3.168 1.00 0.00 H new ATOM 26 N GLU A 411 -2.031 -3.564 6.842 1.00 0.00 N ATOM 27 CA GLU A 411 -2.044 -2.138 7.370 1.00 0.00 C ATOM 28 C GLU A 411 -0.721 -1.412 7.053 1.00 0.00 C ATOM 29 O GLU A 411 0.362 -1.969 7.211 1.00 0.00 O ATOM 30 CB GLU A 411 -2.272 -2.150 8.891 1.00 0.00 C ATOM 31 CG GLU A 411 -3.780 -2.055 9.191 1.00 0.00 C ATOM 32 CD GLU A 411 -4.281 -0.614 8.972 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.201 0.172 9.905 1.00 0.00 O ATOM 34 OE2 GLU A 411 -4.738 -0.323 7.876 1.00 0.00 O ATOM 0 H GLU A 411 -2.359 -4.256 7.516 1.00 0.00 H new ATOM 0 HA GLU A 411 -2.855 -1.602 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -1.862 -3.063 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -1.746 -1.315 9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.330 -2.740 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -3.973 -2.362 10.219 1.00 0.00 H new ATOM 41 N GLY A 412 -0.821 -0.182 6.561 1.00 0.00 N ATOM 42 CA GLY A 412 0.399 0.609 6.165 1.00 0.00 C ATOM 43 C GLY A 412 0.628 0.423 4.655 1.00 0.00 C ATOM 44 O GLY A 412 0.773 1.390 3.924 1.00 0.00 O ATOM 0 H GLY A 412 -1.706 0.306 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.260 1.664 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 412 1.270 0.269 6.726 1.00 0.00 H new ATOM 48 N TYR A 413 0.614 -0.827 4.191 1.00 0.00 N ATOM 49 CA TYR A 413 0.783 -1.146 2.736 1.00 0.00 C ATOM 50 C TYR A 413 -0.594 -0.937 2.050 1.00 0.00 C ATOM 51 O TYR A 413 -1.406 -1.858 1.964 1.00 0.00 O ATOM 52 CB TYR A 413 1.244 -2.619 2.554 1.00 0.00 C ATOM 53 CG TYR A 413 2.445 -2.984 3.422 1.00 0.00 C ATOM 54 CD1 TYR A 413 2.256 -3.373 4.757 1.00 0.00 C ATOM 55 CD2 TYR A 413 3.740 -2.974 2.879 1.00 0.00 C ATOM 56 CE1 TYR A 413 3.348 -3.746 5.543 1.00 0.00 C ATOM 57 CE2 TYR A 413 4.835 -3.348 3.673 1.00 0.00 C ATOM 58 CZ TYR A 413 4.637 -3.736 5.003 1.00 0.00 C ATOM 59 OH TYR A 413 5.716 -4.102 5.783 1.00 0.00 O ATOM 0 H TYR A 413 0.489 -1.647 4.784 1.00 0.00 H new ATOM 0 HA TYR A 413 1.540 -0.499 2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.415 -3.285 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.496 -2.788 1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 413 1.262 -3.384 5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 413 3.893 -2.679 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 413 3.196 -4.043 6.570 1.00 0.00 H new ATOM 0 HE2 TYR A 413 5.832 -3.336 3.257 1.00 0.00 H new ATOM 0 HH TYR A 413 6.538 -4.041 5.253 1.00 0.00 H new ATOM 69 N ILE A 414 -0.872 0.278 1.594 1.00 0.00 N ATOM 70 CA ILE A 414 -2.211 0.579 0.930 1.00 0.00 C ATOM 71 C ILE A 414 -2.089 0.460 -0.615 1.00 0.00 C ATOM 72 O ILE A 414 -1.041 0.093 -1.134 1.00 0.00 O ATOM 73 CB ILE A 414 -2.765 1.987 1.377 1.00 0.00 C ATOM 74 CG1 ILE A 414 -2.332 3.158 0.447 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.342 2.313 2.820 1.00 0.00 C ATOM 76 CD1 ILE A 414 -0.826 3.149 0.170 1.00 0.00 C ATOM 0 H ILE A 414 -0.235 1.073 1.651 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.938 -0.163 1.260 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.849 1.901 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -2.874 3.090 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.610 4.107 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.737 3.289 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -2.735 1.553 3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.254 2.329 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -0.571 3.984 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -0.283 3.244 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -0.551 2.212 -0.315 1.00 0.00 H new ATOM 88 N LEU A 415 -3.157 0.766 -1.344 1.00 0.00 N ATOM 89 CA LEU A 415 -3.127 0.686 -2.842 1.00 0.00 C ATOM 90 C LEU A 415 -3.049 2.105 -3.428 1.00 0.00 C ATOM 91 O LEU A 415 -3.715 3.023 -2.953 1.00 0.00 O ATOM 92 CB LEU A 415 -4.391 -0.015 -3.388 1.00 0.00 C ATOM 93 CG LEU A 415 -4.437 -1.552 -3.113 1.00 0.00 C ATOM 94 CD1 LEU A 415 -4.506 -2.291 -4.447 1.00 0.00 C ATOM 95 CD2 LEU A 415 -3.210 -2.078 -2.342 1.00 0.00 C ATOM 0 H LEU A 415 -4.049 1.069 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.252 0.105 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.271 0.449 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.451 0.153 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.316 -1.731 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.539 -3.365 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -5.403 -1.986 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.626 -2.050 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -3.311 -3.152 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -2.306 -1.877 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -3.145 -1.577 -1.376 1.00 0.00 H new ATOM 107 N ASP A 416 -2.243 2.280 -4.461 1.00 0.00 N ATOM 108 CA ASP A 416 -2.091 3.632 -5.115 1.00 0.00 C ATOM 109 C ASP A 416 -2.953 3.725 -6.401 1.00 0.00 C ATOM 110 O ASP A 416 -3.745 2.829 -6.698 1.00 0.00 O ATOM 111 CB ASP A 416 -0.600 3.867 -5.436 1.00 0.00 C ATOM 112 CG ASP A 416 -0.121 5.158 -4.761 1.00 0.00 C ATOM 113 OD1 ASP A 416 0.211 5.106 -3.586 1.00 0.00 O ATOM 114 OD2 ASP A 416 -0.096 6.178 -5.430 1.00 0.00 O ATOM 0 H ASP A 416 -1.681 1.540 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.442 4.405 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.006 3.022 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.457 3.935 -6.514 1.00 0.00 H new ATOM 119 N ASP A 417 -2.810 4.821 -7.151 1.00 0.00 N ATOM 120 CA ASP A 417 -3.607 5.032 -8.422 1.00 0.00 C ATOM 121 C ASP A 417 -3.433 3.827 -9.373 1.00 0.00 C ATOM 122 O ASP A 417 -2.325 3.505 -9.793 1.00 0.00 O ATOM 123 CB ASP A 417 -3.147 6.327 -9.127 1.00 0.00 C ATOM 124 CG ASP A 417 -3.644 7.557 -8.349 1.00 0.00 C ATOM 125 OD1 ASP A 417 -4.740 8.013 -8.636 1.00 0.00 O ATOM 126 OD2 ASP A 417 -2.919 8.020 -7.483 1.00 0.00 O ATOM 0 H ASP A 417 -2.167 5.581 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.661 5.123 -8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -2.059 6.346 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -3.532 6.352 -10.146 1.00 0.00 H new ATOM 131 N GLY A 418 -4.534 3.157 -9.688 1.00 0.00 N ATOM 132 CA GLY A 418 -4.495 1.953 -10.592 1.00 0.00 C ATOM 133 C GLY A 418 -4.766 0.640 -9.816 1.00 0.00 C ATOM 134 O GLY A 418 -4.832 -0.408 -10.439 1.00 0.00 O ATOM 0 H GLY A 418 -5.465 3.401 -9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.237 2.068 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.520 1.894 -11.076 1.00 0.00 H new ATOM 138 N PHE A 419 -4.908 0.678 -8.476 1.00 0.00 N ATOM 139 CA PHE A 419 -5.160 -0.563 -7.658 1.00 0.00 C ATOM 140 C PHE A 419 -3.897 -1.460 -7.687 1.00 0.00 C ATOM 141 O PHE A 419 -3.888 -2.561 -8.232 1.00 0.00 O ATOM 142 CB PHE A 419 -6.420 -1.309 -8.174 1.00 0.00 C ATOM 143 CG PHE A 419 -6.935 -2.250 -7.104 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.854 -1.795 -6.149 1.00 0.00 C ATOM 145 CD2 PHE A 419 -6.488 -3.577 -7.066 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.323 -2.665 -5.158 1.00 0.00 C ATOM 147 CE2 PHE A 419 -6.956 -4.445 -6.075 1.00 0.00 C ATOM 148 CZ PHE A 419 -7.873 -3.991 -5.121 1.00 0.00 C ATOM 0 H PHE A 419 -4.856 1.536 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.358 -0.289 -6.622 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.194 -0.591 -8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.178 -1.869 -9.077 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -8.201 -0.773 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.781 -3.930 -7.803 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -9.031 -2.314 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.609 -5.467 -6.046 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.234 -4.663 -4.356 1.00 0.00 H new ATOM 158 N ILE A 420 -2.831 -0.971 -7.080 1.00 0.00 N ATOM 159 CA ILE A 420 -1.530 -1.735 -7.007 1.00 0.00 C ATOM 160 C ILE A 420 -0.964 -1.630 -5.573 1.00 0.00 C ATOM 161 O ILE A 420 -1.247 -0.682 -4.852 1.00 0.00 O ATOM 162 CB ILE A 420 -0.508 -1.217 -8.056 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.536 0.322 -8.179 1.00 0.00 C ATOM 164 CG2 ILE A 420 -0.842 -1.830 -9.424 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.175 0.952 -6.981 1.00 0.00 C ATOM 0 H ILE A 420 -2.807 -0.059 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.718 -2.782 -7.243 1.00 0.00 H new ATOM 0 HB ILE A 420 0.489 -1.512 -7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -0.050 0.631 -9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.567 0.673 -8.227 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.129 -1.472 -10.167 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.784 -2.917 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.850 -1.537 -9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.152 2.038 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.329 0.656 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.210 0.612 -6.953 1.00 0.00 H new ATOM 177 N CYS A 421 -0.189 -2.619 -5.155 1.00 0.00 N ATOM 178 CA CYS A 421 0.380 -2.634 -3.755 1.00 0.00 C ATOM 179 C CYS A 421 1.472 -1.564 -3.571 1.00 0.00 C ATOM 180 O CYS A 421 2.535 -1.625 -4.179 1.00 0.00 O ATOM 181 CB CYS A 421 0.956 -4.022 -3.429 1.00 0.00 C ATOM 182 SG CYS A 421 0.931 -4.277 -1.633 1.00 0.00 S ATOM 0 H CYS A 421 0.074 -3.421 -5.728 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.436 -2.406 -3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.371 -4.796 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.976 -4.102 -3.805 1.00 0.00 H new ATOM 187 N THR A 422 1.203 -0.605 -2.702 1.00 0.00 N ATOM 188 CA THR A 422 2.187 0.497 -2.377 1.00 0.00 C ATOM 189 C THR A 422 2.954 0.107 -1.090 1.00 0.00 C ATOM 190 O THR A 422 2.521 -0.767 -0.335 1.00 0.00 O ATOM 191 CB THR A 422 1.448 1.842 -2.136 1.00 0.00 C ATOM 192 OG1 THR A 422 0.324 1.962 -3.006 1.00 0.00 O ATOM 193 CG2 THR A 422 2.397 3.020 -2.391 1.00 0.00 C ATOM 0 H THR A 422 0.322 -0.538 -2.192 1.00 0.00 H new ATOM 0 HA THR A 422 2.872 0.622 -3.215 1.00 0.00 H new ATOM 0 HB THR A 422 1.107 1.857 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.418 1.425 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 422 1.868 3.957 -2.219 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.249 2.954 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.750 2.986 -3.422 1.00 0.00 H new ATOM 201 N ASP A 423 4.084 0.754 -0.831 1.00 0.00 N ATOM 202 CA ASP A 423 4.900 0.464 0.399 1.00 0.00 C ATOM 203 C ASP A 423 4.102 0.806 1.690 1.00 0.00 C ATOM 204 O ASP A 423 2.924 1.151 1.647 1.00 0.00 O ATOM 205 CB ASP A 423 6.196 1.300 0.342 1.00 0.00 C ATOM 206 CG ASP A 423 7.106 0.793 -0.787 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.915 -0.081 -0.521 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.979 1.289 -1.896 1.00 0.00 O ATOM 0 H ASP A 423 4.474 1.479 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 423 5.140 -0.599 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 423 5.953 2.350 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.719 1.238 1.296 1.00 0.00 H new ATOM 213 N ILE A 424 4.753 0.715 2.835 1.00 0.00 N ATOM 214 CA ILE A 424 4.082 1.025 4.147 1.00 0.00 C ATOM 215 C ILE A 424 4.025 2.558 4.360 1.00 0.00 C ATOM 216 O ILE A 424 3.059 3.061 4.912 1.00 0.00 O ATOM 217 CB ILE A 424 4.820 0.301 5.308 1.00 0.00 C ATOM 218 CG1 ILE A 424 4.090 0.557 6.640 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.276 0.774 5.421 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.619 -0.769 7.244 1.00 0.00 C ATOM 0 H ILE A 424 5.731 0.436 2.915 1.00 0.00 H new ATOM 0 HA ILE A 424 3.057 0.656 4.132 1.00 0.00 H new ATOM 0 HB ILE A 424 4.820 -0.767 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.756 1.067 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.236 1.214 6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.766 0.250 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.801 0.561 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.296 1.847 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 424 3.104 -0.577 8.185 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.937 -1.263 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.480 -1.412 7.426 1.00 0.00 H new ATOM 232 N ASP A 425 5.049 3.290 3.901 1.00 0.00 N ATOM 233 CA ASP A 425 5.097 4.793 4.029 1.00 0.00 C ATOM 234 C ASP A 425 4.990 5.208 5.526 1.00 0.00 C ATOM 235 O ASP A 425 4.166 6.034 5.911 1.00 0.00 O ATOM 236 CB ASP A 425 3.966 5.412 3.164 1.00 0.00 C ATOM 237 CG ASP A 425 4.184 5.067 1.677 1.00 0.00 C ATOM 238 OD1 ASP A 425 4.897 5.804 1.014 1.00 0.00 O ATOM 239 OD2 ASP A 425 3.635 4.073 1.226 1.00 0.00 O ATOM 0 H ASP A 425 5.863 2.888 3.436 1.00 0.00 H new ATOM 0 HA ASP A 425 6.050 5.173 3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 425 2.998 5.035 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 425 3.949 6.494 3.295 1.00 0.00 H new ATOM 244 N GLU A 426 5.847 4.625 6.358 1.00 0.00 N ATOM 245 CA GLU A 426 5.866 4.932 7.833 1.00 0.00 C ATOM 246 C GLU A 426 7.251 5.328 8.254 1.00 0.00 C ATOM 247 O GLU A 426 7.842 4.678 9.115 1.00 0.00 O ATOM 248 CB GLU A 426 5.401 3.685 8.617 1.00 0.00 C ATOM 249 CG GLU A 426 4.021 3.944 9.259 1.00 0.00 C ATOM 250 CD GLU A 426 3.010 2.877 8.804 1.00 0.00 C ATOM 251 OE1 GLU A 426 2.962 1.825 9.426 1.00 0.00 O ATOM 252 OE2 GLU A 426 2.293 3.132 7.849 1.00 0.00 O ATOM 253 OXT GLU A 426 7.841 6.386 7.695 1.00 0.00 O ATOM 0 H GLU A 426 6.543 3.939 6.065 1.00 0.00 H new ATOM 0 HA GLU A 426 5.190 5.761 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 426 5.344 2.826 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 426 6.130 3.439 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 426 4.110 3.931 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 426 3.663 4.935 8.981 1.00 0.00 H new TER 261 GLU A 426