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= -0.276 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -2.379 -6.784 0.781 1.00 0.00 N ATOM 2 CA CYS A 409 -1.423 -5.874 1.430 1.00 0.00 C ATOM 3 C CYS A 409 -1.944 -5.504 2.849 1.00 0.00 C ATOM 4 O CYS A 409 -3.089 -5.093 2.979 1.00 0.00 O ATOM 5 CB CYS A 409 -1.246 -4.590 0.591 1.00 0.00 C ATOM 6 SG CYS A 409 -1.038 -5.007 -1.163 1.00 0.00 S ATOM 0 HA CYS A 409 -0.458 -6.374 1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.114 -3.942 0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.378 -4.033 0.945 1.00 0.00 H new ATOM 12 N PRO A 410 -1.098 -5.679 3.874 1.00 0.00 N ATOM 13 CA PRO A 410 -1.471 -5.385 5.294 1.00 0.00 C ATOM 14 C PRO A 410 -1.477 -3.863 5.615 1.00 0.00 C ATOM 15 O PRO A 410 -1.224 -3.030 4.749 1.00 0.00 O ATOM 16 CB PRO A 410 -0.401 -6.132 6.105 1.00 0.00 C ATOM 17 CG PRO A 410 0.811 -6.335 5.168 1.00 0.00 C ATOM 18 CD PRO A 410 0.296 -6.177 3.727 1.00 0.00 C ATOM 0 HA PRO A 410 -2.487 -5.704 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.115 -5.559 6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -0.782 -7.091 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.590 -5.604 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 410 1.251 -7.321 5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.909 -5.475 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.323 -7.126 3.191 1.00 0.00 H new ATOM 26 N GLU A 411 -1.787 -3.518 6.871 1.00 0.00 N ATOM 27 CA GLU A 411 -1.850 -2.071 7.330 1.00 0.00 C ATOM 28 C GLU A 411 -0.577 -1.298 6.930 1.00 0.00 C ATOM 29 O GLU A 411 0.538 -1.779 7.111 1.00 0.00 O ATOM 30 CB GLU A 411 -2.031 -2.021 8.859 1.00 0.00 C ATOM 31 CG GLU A 411 -3.531 -2.039 9.204 1.00 0.00 C ATOM 32 CD GLU A 411 -4.157 -0.654 8.950 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.162 0.153 9.867 1.00 0.00 O ATOM 34 OE2 GLU A 411 -4.623 -0.426 7.843 1.00 0.00 O ATOM 0 H GLU A 411 -2.001 -4.195 7.604 1.00 0.00 H new ATOM 0 HA GLU A 411 -2.700 -1.596 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -1.531 -2.872 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -1.566 -1.121 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.040 -2.791 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -3.667 -2.321 10.248 1.00 0.00 H new ATOM 41 N GLY A 412 -0.753 -0.115 6.350 1.00 0.00 N ATOM 42 CA GLY A 412 0.411 0.717 5.873 1.00 0.00 C ATOM 43 C GLY A 412 0.608 0.470 4.366 1.00 0.00 C ATOM 44 O GLY A 412 0.761 1.406 3.600 1.00 0.00 O ATOM 0 H GLY A 412 -1.667 0.308 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.223 1.774 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 412 1.315 0.452 6.421 1.00 0.00 H new ATOM 48 N TYR A 413 0.566 -0.795 3.952 1.00 0.00 N ATOM 49 CA TYR A 413 0.709 -1.178 2.512 1.00 0.00 C ATOM 50 C TYR A 413 -0.690 -1.016 1.858 1.00 0.00 C ATOM 51 O TYR A 413 -1.498 -1.941 1.847 1.00 0.00 O ATOM 52 CB TYR A 413 1.205 -2.650 2.393 1.00 0.00 C ATOM 53 CG TYR A 413 2.383 -2.969 3.321 1.00 0.00 C ATOM 54 CD1 TYR A 413 2.151 -3.290 4.668 1.00 0.00 C ATOM 55 CD2 TYR A 413 3.696 -2.989 2.826 1.00 0.00 C ATOM 56 CE1 TYR A 413 3.215 -3.623 5.508 1.00 0.00 C ATOM 57 CE2 TYR A 413 4.763 -3.324 3.675 1.00 0.00 C ATOM 58 CZ TYR A 413 4.519 -3.644 5.013 1.00 0.00 C ATOM 59 OH TYR A 413 5.568 -3.971 5.847 1.00 0.00 O ATOM 0 H TYR A 413 0.435 -1.588 4.580 1.00 0.00 H new ATOM 0 HA TYR A 413 1.442 -0.546 2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.379 -3.324 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.500 -2.845 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 413 1.143 -3.279 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 413 3.886 -2.746 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 413 3.028 -3.865 6.544 1.00 0.00 H new ATOM 0 HE2 TYR A 413 5.773 -3.334 3.293 1.00 0.00 H new ATOM 0 HH TYR A 413 6.408 -3.939 5.344 1.00 0.00 H new ATOM 69 N ILE A 414 -0.993 0.179 1.361 1.00 0.00 N ATOM 70 CA ILE A 414 -2.358 0.460 0.741 1.00 0.00 C ATOM 71 C ILE A 414 -2.291 0.426 -0.813 1.00 0.00 C ATOM 72 O ILE A 414 -1.277 0.060 -1.392 1.00 0.00 O ATOM 73 CB ILE A 414 -2.939 1.826 1.280 1.00 0.00 C ATOM 74 CG1 ILE A 414 -2.550 3.062 0.413 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.498 2.079 2.733 1.00 0.00 C ATOM 76 CD1 ILE A 414 -1.047 3.111 0.110 1.00 0.00 C ATOM 0 H ILE A 414 -0.355 0.974 1.357 1.00 0.00 H new ATOM 0 HA ILE A 414 -3.043 -0.332 1.043 1.00 0.00 H new ATOM 0 HB ILE A 414 -4.022 1.716 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.107 3.035 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.844 3.974 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.912 3.026 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -2.860 1.271 3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.410 2.119 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -0.827 3.990 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -0.489 3.166 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -0.756 2.212 -0.434 1.00 0.00 H new ATOM 88 N LEU A 415 -3.380 0.804 -1.480 1.00 0.00 N ATOM 89 CA LEU A 415 -3.424 0.815 -2.984 1.00 0.00 C ATOM 90 C LEU A 415 -3.097 2.240 -3.472 1.00 0.00 C ATOM 91 O LEU A 415 -3.725 3.207 -3.046 1.00 0.00 O ATOM 92 CB LEU A 415 -4.830 0.419 -3.503 1.00 0.00 C ATOM 93 CG LEU A 415 -5.089 -1.113 -3.452 1.00 0.00 C ATOM 94 CD1 LEU A 415 -4.256 -1.824 -4.518 1.00 0.00 C ATOM 95 CD2 LEU A 415 -4.750 -1.704 -2.074 1.00 0.00 C ATOM 0 H LEU A 415 -4.245 1.107 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.699 0.094 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.587 0.930 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.943 0.767 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 415 -6.151 -1.268 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.446 -2.896 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -4.530 -1.448 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.198 -1.635 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -4.945 -2.776 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -3.698 -1.528 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -5.367 -1.228 -1.312 1.00 0.00 H new ATOM 107 N ASP A 416 -2.123 2.372 -4.358 1.00 0.00 N ATOM 108 CA ASP A 416 -1.729 3.731 -4.898 1.00 0.00 C ATOM 109 C ASP A 416 -2.775 4.238 -5.931 1.00 0.00 C ATOM 110 O ASP A 416 -3.821 3.621 -6.126 1.00 0.00 O ATOM 111 CB ASP A 416 -0.334 3.615 -5.552 1.00 0.00 C ATOM 112 CG ASP A 416 0.486 4.890 -5.307 1.00 0.00 C ATOM 113 OD1 ASP A 416 1.103 4.985 -4.258 1.00 0.00 O ATOM 114 OD2 ASP A 416 0.487 5.746 -6.177 1.00 0.00 O ATOM 0 H ASP A 416 -1.581 1.593 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 416 -1.696 4.453 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.194 2.753 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.442 3.446 -6.623 1.00 0.00 H new ATOM 119 N ASP A 417 -2.493 5.363 -6.588 1.00 0.00 N ATOM 120 CA ASP A 417 -3.433 5.954 -7.620 1.00 0.00 C ATOM 121 C ASP A 417 -3.796 4.911 -8.707 1.00 0.00 C ATOM 122 O ASP A 417 -4.911 4.910 -9.210 1.00 0.00 O ATOM 123 CB ASP A 417 -2.763 7.176 -8.283 1.00 0.00 C ATOM 124 CG ASP A 417 -2.626 8.323 -7.268 1.00 0.00 C ATOM 125 OD1 ASP A 417 -3.546 9.120 -7.173 1.00 0.00 O ATOM 126 OD2 ASP A 417 -1.602 8.386 -6.605 1.00 0.00 O ATOM 0 H ASP A 417 -1.638 5.900 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.351 6.257 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -1.780 6.899 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -3.355 7.505 -9.137 1.00 0.00 H new ATOM 131 N GLY A 418 -2.863 4.025 -9.055 1.00 0.00 N ATOM 132 CA GLY A 418 -3.127 2.966 -10.096 1.00 0.00 C ATOM 133 C GLY A 418 -3.719 1.668 -9.487 1.00 0.00 C ATOM 134 O GLY A 418 -3.798 0.671 -10.189 1.00 0.00 O ATOM 0 H GLY A 418 -1.926 3.998 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -3.816 3.360 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.197 2.730 -10.613 1.00 0.00 H new ATOM 138 N PHE A 419 -4.133 1.660 -8.205 1.00 0.00 N ATOM 139 CA PHE A 419 -4.720 0.432 -7.555 1.00 0.00 C ATOM 140 C PHE A 419 -3.678 -0.719 -7.554 1.00 0.00 C ATOM 141 O PHE A 419 -3.888 -1.790 -8.115 1.00 0.00 O ATOM 142 CB PHE A 419 -6.027 0.031 -8.279 1.00 0.00 C ATOM 143 CG PHE A 419 -6.902 -0.779 -7.345 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.808 -0.134 -6.495 1.00 0.00 C ATOM 145 CD2 PHE A 419 -6.802 -2.176 -7.328 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.613 -0.884 -5.631 1.00 0.00 C ATOM 147 CE2 PHE A 419 -7.606 -2.926 -6.464 1.00 0.00 C ATOM 148 CZ PHE A 419 -8.512 -2.280 -5.616 1.00 0.00 C ATOM 0 H PHE A 419 -4.080 2.472 -7.590 1.00 0.00 H new ATOM 0 HA PHE A 419 -4.969 0.648 -6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -6.559 0.923 -8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -5.796 -0.550 -9.171 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -7.886 0.943 -6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -6.103 -2.675 -7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -9.312 -0.386 -4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.528 -4.003 -6.451 1.00 0.00 H new ATOM 0 HZ PHE A 419 -9.134 -2.859 -4.949 1.00 0.00 H new ATOM 158 N ILE A 420 -2.553 -0.484 -6.901 1.00 0.00 N ATOM 159 CA ILE A 420 -1.457 -1.521 -6.798 1.00 0.00 C ATOM 160 C ILE A 420 -0.880 -1.527 -5.362 1.00 0.00 C ATOM 161 O ILE A 420 -1.036 -0.567 -4.614 1.00 0.00 O ATOM 162 CB ILE A 420 -0.335 -1.258 -7.842 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.009 0.245 -7.970 1.00 0.00 C ATOM 164 CG2 ILE A 420 -0.786 -1.785 -9.209 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.737 0.725 -6.726 1.00 0.00 C ATOM 0 H ILE A 420 -2.344 0.395 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.883 -2.501 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 420 0.564 -1.773 -7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 420 0.598 0.420 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -0.929 0.816 -8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.003 -1.603 -9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.979 -2.856 -9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.698 -1.271 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.963 1.787 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 420 0.115 0.567 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.666 0.164 -6.620 1.00 0.00 H new ATOM 177 N CYS A 421 -0.233 -2.618 -4.974 1.00 0.00 N ATOM 178 CA CYS A 421 0.341 -2.740 -3.581 1.00 0.00 C ATOM 179 C CYS A 421 1.466 -1.702 -3.348 1.00 0.00 C ATOM 180 O CYS A 421 2.587 -1.856 -3.820 1.00 0.00 O ATOM 181 CB CYS A 421 0.878 -4.163 -3.349 1.00 0.00 C ATOM 182 SG CYS A 421 0.880 -4.524 -1.572 1.00 0.00 S ATOM 0 H CYS A 421 -0.079 -3.432 -5.568 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.459 -2.540 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.259 -4.888 -3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.887 -4.253 -3.751 1.00 0.00 H new ATOM 187 N THR A 422 1.147 -0.654 -2.607 1.00 0.00 N ATOM 188 CA THR A 422 2.142 0.437 -2.272 1.00 0.00 C ATOM 189 C THR A 422 2.942 0.032 -1.009 1.00 0.00 C ATOM 190 O THR A 422 2.560 -0.891 -0.286 1.00 0.00 O ATOM 191 CB THR A 422 1.393 1.769 -1.990 1.00 0.00 C ATOM 192 OG1 THR A 422 0.374 1.973 -2.961 1.00 0.00 O ATOM 193 CG2 THR A 422 2.367 2.954 -2.037 1.00 0.00 C ATOM 0 H THR A 422 0.219 -0.505 -2.211 1.00 0.00 H new ATOM 0 HA THR A 422 2.819 0.573 -3.115 1.00 0.00 H new ATOM 0 HB THR A 422 0.949 1.704 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.410 1.431 -2.732 1.00 0.00 H new ATOM 0 HG21 THR A 422 1.825 3.878 -1.837 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.142 2.818 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.826 3.009 -3.024 1.00 0.00 H new ATOM 201 N ASP A 423 4.041 0.727 -0.735 1.00 0.00 N ATOM 202 CA ASP A 423 4.883 0.432 0.477 1.00 0.00 C ATOM 203 C ASP A 423 4.098 0.743 1.784 1.00 0.00 C ATOM 204 O ASP A 423 2.911 1.044 1.758 1.00 0.00 O ATOM 205 CB ASP A 423 6.168 1.285 0.405 1.00 0.00 C ATOM 206 CG ASP A 423 7.094 0.752 -0.697 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.897 -0.118 -0.398 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.987 1.224 -1.819 1.00 0.00 O ATOM 0 H ASP A 423 4.388 1.494 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 423 5.142 -0.627 0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 423 5.912 2.325 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.683 1.263 1.366 1.00 0.00 H new ATOM 213 N ILE A 424 4.768 0.674 2.919 1.00 0.00 N ATOM 214 CA ILE A 424 4.107 0.953 4.250 1.00 0.00 C ATOM 215 C ILE A 424 3.967 2.481 4.466 1.00 0.00 C ATOM 216 O ILE A 424 3.001 2.924 5.072 1.00 0.00 O ATOM 217 CB ILE A 424 4.918 0.276 5.393 1.00 0.00 C ATOM 218 CG1 ILE A 424 4.255 0.537 6.762 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.370 0.777 5.419 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.559 -0.737 7.246 1.00 0.00 C ATOM 0 H ILE A 424 5.757 0.433 2.982 1.00 0.00 H new ATOM 0 HA ILE A 424 3.103 0.529 4.258 1.00 0.00 H new ATOM 0 HB ILE A 424 4.924 -0.796 5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 424 5.006 0.851 7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.533 1.349 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.910 0.285 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.852 0.546 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.380 1.855 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 424 3.091 -0.551 8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.797 -1.032 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.293 -1.537 7.346 1.00 0.00 H new ATOM 232 N ASP A 425 4.919 3.273 3.959 1.00 0.00 N ATOM 233 CA ASP A 425 4.882 4.780 4.095 1.00 0.00 C ATOM 234 C ASP A 425 4.753 5.183 5.594 1.00 0.00 C ATOM 235 O ASP A 425 3.944 6.030 5.967 1.00 0.00 O ATOM 236 CB ASP A 425 3.714 5.334 3.241 1.00 0.00 C ATOM 237 CG ASP A 425 3.940 5.014 1.751 1.00 0.00 C ATOM 238 OD1 ASP A 425 4.587 5.806 1.084 1.00 0.00 O ATOM 239 OD2 ASP A 425 3.460 3.982 1.302 1.00 0.00 O ATOM 0 H ASP A 425 5.730 2.923 3.449 1.00 0.00 H new ATOM 0 HA ASP A 425 5.812 5.214 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 425 2.772 4.898 3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 425 3.633 6.412 3.380 1.00 0.00 H new ATOM 244 N GLU A 426 5.564 4.562 6.442 1.00 0.00 N ATOM 245 CA GLU A 426 5.547 4.848 7.922 1.00 0.00 C ATOM 246 C GLU A 426 6.937 4.768 8.482 1.00 0.00 C ATOM 247 O GLU A 426 7.195 3.961 9.374 1.00 0.00 O ATOM 248 CB GLU A 426 4.625 3.827 8.620 1.00 0.00 C ATOM 249 CG GLU A 426 3.971 4.468 9.855 1.00 0.00 C ATOM 250 CD GLU A 426 2.879 3.543 10.417 1.00 0.00 C ATOM 251 OE1 GLU A 426 3.197 2.721 11.263 1.00 0.00 O ATOM 252 OE2 GLU A 426 1.739 3.678 9.998 1.00 0.00 O ATOM 253 OXT GLU A 426 7.893 5.571 8.012 1.00 0.00 O ATOM 0 H GLU A 426 6.246 3.858 6.160 1.00 0.00 H new ATOM 0 HA GLU A 426 5.169 5.855 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 426 3.856 3.486 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 426 5.199 2.949 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 426 4.726 4.657 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 426 3.539 5.432 9.588 1.00 0.00 H new TER 261 GLU A 426