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 -74:sc= -1.85! USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -0.439 -6.479 0.607 1.00 0.00 N ATOM 2 CA CYS A 409 -0.131 -5.257 1.364 1.00 0.00 C ATOM 3 C CYS A 409 -1.212 -5.060 2.466 1.00 0.00 C ATOM 4 O CYS A 409 -2.297 -4.572 2.176 1.00 0.00 O ATOM 5 CB CYS A 409 -0.091 -4.030 0.417 1.00 0.00 C ATOM 6 SG CYS A 409 1.001 -4.365 -0.995 1.00 0.00 S ATOM 0 HA CYS A 409 0.850 -5.354 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -1.096 -3.802 0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 409 0.263 -3.153 0.960 1.00 0.00 H new ATOM 12 N PRO A 410 -0.892 -5.480 3.699 1.00 0.00 N ATOM 13 CA PRO A 410 -1.830 -5.382 4.863 1.00 0.00 C ATOM 14 C PRO A 410 -1.944 -3.933 5.414 1.00 0.00 C ATOM 15 O PRO A 410 -1.487 -2.984 4.786 1.00 0.00 O ATOM 16 CB PRO A 410 -1.205 -6.333 5.899 1.00 0.00 C ATOM 17 CG PRO A 410 0.289 -6.469 5.534 1.00 0.00 C ATOM 18 CD PRO A 410 0.421 -6.088 4.050 1.00 0.00 C ATOM 0 HA PRO A 410 -2.853 -5.647 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -1.322 -5.937 6.908 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.698 -7.305 5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 410 0.900 -5.815 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.637 -7.488 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 410 1.238 -5.384 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.630 -6.962 3.434 1.00 0.00 H new ATOM 26 N GLU A 411 -2.574 -3.774 6.587 1.00 0.00 N ATOM 27 CA GLU A 411 -2.767 -2.414 7.235 1.00 0.00 C ATOM 28 C GLU A 411 -1.454 -1.603 7.231 1.00 0.00 C ATOM 29 O GLU A 411 -0.396 -2.110 7.592 1.00 0.00 O ATOM 30 CB GLU A 411 -3.260 -2.592 8.682 1.00 0.00 C ATOM 31 CG GLU A 411 -4.800 -2.622 8.704 1.00 0.00 C ATOM 32 CD GLU A 411 -5.364 -1.196 8.569 1.00 0.00 C ATOM 33 OE1 GLU A 411 -5.544 -0.547 9.589 1.00 0.00 O ATOM 34 OE2 GLU A 411 -5.610 -0.777 7.446 1.00 0.00 O ATOM 0 H GLU A 411 -2.966 -4.548 7.124 1.00 0.00 H new ATOM 0 HA GLU A 411 -3.510 -1.865 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -2.862 -3.516 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -2.893 -1.776 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.170 -3.245 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -5.149 -3.072 9.634 1.00 0.00 H new ATOM 41 N GLY A 412 -1.526 -0.357 6.779 1.00 0.00 N ATOM 42 CA GLY A 412 -0.303 0.520 6.681 1.00 0.00 C ATOM 43 C GLY A 412 0.216 0.475 5.232 1.00 0.00 C ATOM 44 O GLY A 412 0.451 1.507 4.623 1.00 0.00 O ATOM 0 H GLY A 412 -2.391 0.089 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -0.547 1.544 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 412 0.467 0.174 7.370 1.00 0.00 H new ATOM 48 N TYR A 413 0.360 -0.728 4.683 1.00 0.00 N ATOM 49 CA TYR A 413 0.824 -0.921 3.270 1.00 0.00 C ATOM 50 C TYR A 413 -0.412 -0.696 2.354 1.00 0.00 C ATOM 51 O TYR A 413 -1.173 -1.617 2.069 1.00 0.00 O ATOM 52 CB TYR A 413 1.390 -2.357 3.094 1.00 0.00 C ATOM 53 CG TYR A 413 2.360 -2.735 4.213 1.00 0.00 C ATOM 54 CD1 TYR A 413 3.726 -2.478 4.076 1.00 0.00 C ATOM 55 CD2 TYR A 413 1.888 -3.363 5.374 1.00 0.00 C ATOM 56 CE1 TYR A 413 4.622 -2.843 5.094 1.00 0.00 C ATOM 57 CE2 TYR A 413 2.778 -3.728 6.390 1.00 0.00 C ATOM 58 CZ TYR A 413 4.145 -3.470 6.249 1.00 0.00 C ATOM 59 OH TYR A 413 5.021 -3.831 7.253 1.00 0.00 O ATOM 0 H TYR A 413 0.167 -1.599 5.178 1.00 0.00 H new ATOM 0 HA TYR A 413 1.619 -0.221 3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.566 -3.071 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.900 -2.430 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 413 4.095 -1.996 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 413 0.833 -3.566 5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 413 5.677 -2.640 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 413 2.409 -4.209 7.284 1.00 0.00 H new ATOM 0 HH TYR A 413 4.524 -4.254 7.984 1.00 0.00 H new ATOM 69 N ILE A 414 -0.639 0.549 1.956 1.00 0.00 N ATOM 70 CA ILE A 414 -1.858 0.916 1.115 1.00 0.00 C ATOM 71 C ILE A 414 -1.603 0.740 -0.412 1.00 0.00 C ATOM 72 O ILE A 414 -0.573 0.227 -0.831 1.00 0.00 O ATOM 73 CB ILE A 414 -2.342 2.381 1.453 1.00 0.00 C ATOM 74 CG1 ILE A 414 -1.699 3.486 0.554 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.080 2.728 2.929 1.00 0.00 C ATOM 76 CD1 ILE A 414 -0.183 3.304 0.369 1.00 0.00 C ATOM 0 H ILE A 414 -0.029 1.336 2.177 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.655 0.219 1.376 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.413 2.375 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -2.182 3.478 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -1.891 4.464 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.424 3.742 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -2.618 2.028 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.012 2.659 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 414 0.205 4.102 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 414 0.309 3.341 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 414 0.013 2.340 -0.101 1.00 0.00 H new ATOM 88 N LEU A 415 -2.558 1.172 -1.234 1.00 0.00 N ATOM 89 CA LEU A 415 -2.433 1.074 -2.726 1.00 0.00 C ATOM 90 C LEU A 415 -2.112 2.464 -3.320 1.00 0.00 C ATOM 91 O LEU A 415 -2.456 3.494 -2.744 1.00 0.00 O ATOM 92 CB LEU A 415 -3.758 0.574 -3.336 1.00 0.00 C ATOM 93 CG LEU A 415 -4.129 -0.882 -2.926 1.00 0.00 C ATOM 94 CD1 LEU A 415 -4.584 -1.632 -4.174 1.00 0.00 C ATOM 95 CD2 LEU A 415 -2.950 -1.655 -2.304 1.00 0.00 C ATOM 0 H LEU A 415 -3.430 1.594 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 415 -1.631 0.375 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -4.563 1.243 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -3.691 0.630 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 415 -4.913 -0.817 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.849 -2.655 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -5.453 -1.132 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.776 -1.645 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -3.274 -2.662 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -2.133 -1.713 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -2.608 -1.137 -1.408 1.00 0.00 H new ATOM 107 N ASP A 416 -1.467 2.490 -4.475 1.00 0.00 N ATOM 108 CA ASP A 416 -1.111 3.799 -5.148 1.00 0.00 C ATOM 109 C ASP A 416 -2.023 4.058 -6.381 1.00 0.00 C ATOM 110 O ASP A 416 -3.004 3.347 -6.601 1.00 0.00 O ATOM 111 CB ASP A 416 0.376 3.757 -5.567 1.00 0.00 C ATOM 112 CG ASP A 416 1.054 5.101 -5.266 1.00 0.00 C ATOM 113 OD1 ASP A 416 1.034 5.963 -6.131 1.00 0.00 O ATOM 114 OD2 ASP A 416 1.592 5.241 -4.178 1.00 0.00 O ATOM 0 H ASP A 416 -1.170 1.657 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 416 -1.270 4.619 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.888 2.956 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.455 3.533 -6.631 1.00 0.00 H new ATOM 119 N ASP A 417 -1.706 5.089 -7.169 1.00 0.00 N ATOM 120 CA ASP A 417 -2.519 5.457 -8.393 1.00 0.00 C ATOM 121 C ASP A 417 -2.735 4.226 -9.300 1.00 0.00 C ATOM 122 O ASP A 417 -1.798 3.497 -9.616 1.00 0.00 O ATOM 123 CB ASP A 417 -1.798 6.567 -9.187 1.00 0.00 C ATOM 124 CG ASP A 417 -1.908 7.905 -8.439 1.00 0.00 C ATOM 125 OD1 ASP A 417 -2.882 8.608 -8.659 1.00 0.00 O ATOM 126 OD2 ASP A 417 -1.015 8.205 -7.662 1.00 0.00 O ATOM 0 H ASP A 417 -0.903 5.696 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 417 -3.493 5.819 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -0.749 6.304 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -2.238 6.659 -10.180 1.00 0.00 H new ATOM 131 N GLY A 418 -3.980 3.988 -9.691 1.00 0.00 N ATOM 132 CA GLY A 418 -4.325 2.803 -10.556 1.00 0.00 C ATOM 133 C GLY A 418 -4.836 1.611 -9.707 1.00 0.00 C ATOM 134 O GLY A 418 -5.250 0.614 -10.275 1.00 0.00 O ATOM 0 H GLY A 418 -4.777 4.574 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.088 3.089 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.446 2.497 -11.123 1.00 0.00 H new ATOM 138 N PHE A 419 -4.798 1.700 -8.363 1.00 0.00 N ATOM 139 CA PHE A 419 -5.264 0.585 -7.460 1.00 0.00 C ATOM 140 C PHE A 419 -4.292 -0.613 -7.586 1.00 0.00 C ATOM 141 O PHE A 419 -4.613 -1.654 -8.153 1.00 0.00 O ATOM 142 CB PHE A 419 -6.725 0.186 -7.791 1.00 0.00 C ATOM 143 CG PHE A 419 -7.318 -0.591 -6.634 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.967 0.083 -5.593 1.00 0.00 C ATOM 145 CD2 PHE A 419 -7.213 -1.988 -6.604 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.510 -0.639 -4.523 1.00 0.00 C ATOM 147 CE2 PHE A 419 -7.756 -2.709 -5.535 1.00 0.00 C ATOM 148 CZ PHE A 419 -8.404 -2.033 -4.495 1.00 0.00 C ATOM 0 H PHE A 419 -4.454 2.520 -7.864 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.258 0.924 -6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.320 1.078 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.750 -0.418 -8.698 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -8.049 1.160 -5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -6.712 -2.509 -7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -9.011 -0.119 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.675 -3.786 -5.512 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.823 -2.589 -3.669 1.00 0.00 H new ATOM 158 N ILE A 420 -3.099 -0.446 -7.045 1.00 0.00 N ATOM 159 CA ILE A 420 -2.049 -1.529 -7.084 1.00 0.00 C ATOM 160 C ILE A 420 -1.343 -1.621 -5.711 1.00 0.00 C ATOM 161 O ILE A 420 -1.297 -0.655 -4.958 1.00 0.00 O ATOM 162 CB ILE A 420 -1.022 -1.276 -8.222 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.672 0.222 -8.361 1.00 0.00 C ATOM 164 CG2 ILE A 420 -1.610 -1.771 -9.549 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.276 0.643 -7.238 1.00 0.00 C ATOM 0 H ILE A 420 -2.804 0.408 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 420 -2.538 -2.480 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 420 -0.109 -1.817 -7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -0.207 0.407 -9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.582 0.822 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.894 -1.596 -10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -1.822 -2.838 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -2.533 -1.231 -9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.518 1.701 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.204 0.475 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.191 0.054 -7.295 1.00 0.00 H new ATOM 177 N CYS A 421 -0.811 -2.794 -5.391 1.00 0.00 N ATOM 178 CA CYS A 421 -0.118 -3.027 -4.063 1.00 0.00 C ATOM 179 C CYS A 421 1.083 -2.083 -3.884 1.00 0.00 C ATOM 180 O CYS A 421 1.975 -2.029 -4.724 1.00 0.00 O ATOM 181 CB CYS A 421 0.358 -4.486 -3.959 1.00 0.00 C ATOM 182 SG CYS A 421 -0.211 -5.189 -2.389 1.00 0.00 S ATOM 0 H CYS A 421 -0.829 -3.610 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.840 -2.820 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -0.031 -5.068 -4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.445 -4.531 -4.018 1.00 0.00 H new ATOM 187 N THR A 422 1.091 -1.337 -2.788 1.00 0.00 N ATOM 188 CA THR A 422 2.209 -0.366 -2.497 1.00 0.00 C ATOM 189 C THR A 422 2.653 -0.512 -1.027 1.00 0.00 C ATOM 190 O THR A 422 1.859 -0.867 -0.156 1.00 0.00 O ATOM 191 CB THR A 422 1.727 1.078 -2.764 1.00 0.00 C ATOM 192 OG1 THR A 422 1.008 1.125 -3.994 1.00 0.00 O ATOM 193 CG2 THR A 422 2.923 2.035 -2.840 1.00 0.00 C ATOM 0 H THR A 422 0.360 -1.363 -2.077 1.00 0.00 H new ATOM 0 HA THR A 422 3.056 -0.583 -3.148 1.00 0.00 H new ATOM 0 HB THR A 422 1.077 1.385 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 422 1.637 1.059 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 422 2.567 3.048 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.468 2.012 -1.896 1.00 0.00 H new ATOM 0 HG23 THR A 422 3.585 1.727 -3.649 1.00 0.00 H new ATOM 201 N ASP A 423 3.921 -0.244 -0.747 1.00 0.00 N ATOM 202 CA ASP A 423 4.434 -0.364 0.654 1.00 0.00 C ATOM 203 C ASP A 423 4.321 0.976 1.400 1.00 0.00 C ATOM 204 O ASP A 423 4.519 2.052 0.850 1.00 0.00 O ATOM 205 CB ASP A 423 5.902 -0.830 0.662 1.00 0.00 C ATOM 206 CG ASP A 423 6.213 -1.601 1.954 1.00 0.00 C ATOM 207 OD1 ASP A 423 6.535 -0.959 2.946 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.124 -2.818 1.933 1.00 0.00 O ATOM 0 H ASP A 423 4.614 0.052 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 423 3.820 -1.106 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 423 6.093 -1.465 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.564 0.032 0.577 1.00 0.00 H new ATOM 213 N ILE A 424 4.013 0.863 2.668 1.00 0.00 N ATOM 214 CA ILE A 424 3.877 2.028 3.611 1.00 0.00 C ATOM 215 C ILE A 424 5.169 2.896 3.612 1.00 0.00 C ATOM 216 O ILE A 424 5.085 4.110 3.703 1.00 0.00 O ATOM 217 CB ILE A 424 3.596 1.451 5.025 1.00 0.00 C ATOM 218 CG1 ILE A 424 3.252 2.572 6.010 1.00 0.00 C ATOM 219 CG2 ILE A 424 4.807 0.660 5.559 1.00 0.00 C ATOM 220 CD1 ILE A 424 2.729 1.951 7.309 1.00 0.00 C ATOM 0 H ILE A 424 3.840 -0.038 3.114 1.00 0.00 H new ATOM 0 HA ILE A 424 3.060 2.678 3.297 1.00 0.00 H new ATOM 0 HB ILE A 424 2.746 0.774 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.134 3.180 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 424 2.500 3.234 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 424 4.578 0.269 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 424 5.027 -0.168 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 424 5.674 1.318 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.481 2.742 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 424 1.837 1.361 7.097 1.00 0.00 H new ATOM 0 HD13 ILE A 424 3.496 1.307 7.739 1.00 0.00 H new ATOM 232 N ASP A 425 6.344 2.263 3.508 1.00 0.00 N ATOM 233 CA ASP A 425 7.669 2.991 3.497 1.00 0.00 C ATOM 234 C ASP A 425 7.805 3.892 4.762 1.00 0.00 C ATOM 235 O ASP A 425 8.079 5.088 4.677 1.00 0.00 O ATOM 236 CB ASP A 425 7.796 3.802 2.185 1.00 0.00 C ATOM 237 CG ASP A 425 8.287 2.888 1.050 1.00 0.00 C ATOM 238 OD1 ASP A 425 9.493 2.758 0.897 1.00 0.00 O ATOM 239 OD2 ASP A 425 7.452 2.336 0.351 1.00 0.00 O ATOM 0 H ASP A 425 6.430 1.250 3.429 1.00 0.00 H new ATOM 0 HA ASP A 425 8.488 2.272 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 425 6.832 4.237 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 425 8.492 4.629 2.324 1.00 0.00 H new ATOM 244 N GLU A 426 7.619 3.295 5.935 1.00 0.00 N ATOM 245 CA GLU A 426 7.729 4.042 7.241 1.00 0.00 C ATOM 246 C GLU A 426 8.784 3.415 8.105 1.00 0.00 C ATOM 247 O GLU A 426 8.488 2.977 9.216 1.00 0.00 O ATOM 248 CB GLU A 426 6.363 4.018 7.962 1.00 0.00 C ATOM 249 CG GLU A 426 5.780 5.444 8.040 1.00 0.00 C ATOM 250 CD GLU A 426 4.401 5.493 7.363 1.00 0.00 C ATOM 251 OE1 GLU A 426 3.416 5.245 8.042 1.00 0.00 O ATOM 252 OE2 GLU A 426 4.352 5.783 6.178 1.00 0.00 O ATOM 253 OXT GLU A 426 10.042 3.334 7.669 1.00 0.00 O ATOM 0 H GLU A 426 7.392 2.306 6.037 1.00 0.00 H new ATOM 0 HA GLU A 426 8.012 5.076 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 426 5.673 3.363 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 426 6.480 3.609 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 426 5.693 5.752 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 426 6.456 6.148 7.555 1.00 0.00 H new TER 261 GLU A 426