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 180:sc= -0.618 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -2.209 -6.904 0.923 1.00 0.00 N ATOM 2 CA CYS A 409 -1.385 -5.837 1.510 1.00 0.00 C ATOM 3 C CYS A 409 -1.984 -5.422 2.885 1.00 0.00 C ATOM 4 O CYS A 409 -3.100 -4.922 2.928 1.00 0.00 O ATOM 5 CB CYS A 409 -1.340 -4.616 0.565 1.00 0.00 C ATOM 6 SG CYS A 409 -0.953 -5.145 -1.125 1.00 0.00 S ATOM 0 HA CYS A 409 -0.369 -6.205 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.300 -4.099 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.590 -3.906 0.912 1.00 0.00 H new ATOM 12 N PRO A 410 -1.239 -5.667 3.972 1.00 0.00 N ATOM 13 CA PRO A 410 -1.697 -5.344 5.361 1.00 0.00 C ATOM 14 C PRO A 410 -1.587 -3.828 5.694 1.00 0.00 C ATOM 15 O PRO A 410 -1.267 -3.014 4.833 1.00 0.00 O ATOM 16 CB PRO A 410 -0.759 -6.181 6.245 1.00 0.00 C ATOM 17 CG PRO A 410 0.505 -6.471 5.406 1.00 0.00 C ATOM 18 CD PRO A 410 0.115 -6.283 3.930 1.00 0.00 C ATOM 0 HA PRO A 410 -2.752 -5.573 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.502 -5.641 7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.242 -7.109 6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.314 -5.794 5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.863 -7.485 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.826 -5.640 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.100 -7.235 3.400 1.00 0.00 H new ATOM 26 N GLU A 411 -1.870 -3.466 6.954 1.00 0.00 N ATOM 27 CA GLU A 411 -1.819 -2.022 7.426 1.00 0.00 C ATOM 28 C GLU A 411 -0.536 -1.315 6.944 1.00 0.00 C ATOM 29 O GLU A 411 0.559 -1.864 7.035 1.00 0.00 O ATOM 30 CB GLU A 411 -1.882 -1.977 8.963 1.00 0.00 C ATOM 31 CG GLU A 411 -3.348 -1.861 9.415 1.00 0.00 C ATOM 32 CD GLU A 411 -3.835 -0.406 9.277 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.316 -0.056 8.208 1.00 0.00 O ATOM 34 OE2 GLU A 411 -3.722 0.334 10.242 1.00 0.00 O ATOM 0 H GLU A 411 -2.138 -4.129 7.681 1.00 0.00 H new ATOM 0 HA GLU A 411 -2.676 -1.499 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -1.432 -2.877 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -1.307 -1.129 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -3.974 -2.520 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -3.444 -2.187 10.451 1.00 0.00 H new ATOM 41 N GLY A 412 -0.690 -0.117 6.395 1.00 0.00 N ATOM 42 CA GLY A 412 0.480 0.654 5.847 1.00 0.00 C ATOM 43 C GLY A 412 0.600 0.372 4.343 1.00 0.00 C ATOM 44 O GLY A 412 0.685 1.292 3.546 1.00 0.00 O ATOM 0 H GLY A 412 -1.588 0.358 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.343 1.721 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 412 1.397 0.363 6.360 1.00 0.00 H new ATOM 48 N TYR A 413 0.579 -0.904 3.963 1.00 0.00 N ATOM 49 CA TYR A 413 0.662 -1.311 2.523 1.00 0.00 C ATOM 50 C TYR A 413 -0.731 -1.078 1.882 1.00 0.00 C ATOM 51 O TYR A 413 -1.572 -1.974 1.837 1.00 0.00 O ATOM 52 CB TYR A 413 1.072 -2.802 2.414 1.00 0.00 C ATOM 53 CG TYR A 413 2.303 -3.126 3.251 1.00 0.00 C ATOM 54 CD1 TYR A 413 3.586 -3.015 2.699 1.00 0.00 C ATOM 55 CD2 TYR A 413 2.151 -3.564 4.574 1.00 0.00 C ATOM 56 CE1 TYR A 413 4.711 -3.340 3.472 1.00 0.00 C ATOM 57 CE2 TYR A 413 3.273 -3.887 5.341 1.00 0.00 C ATOM 58 CZ TYR A 413 4.551 -3.778 4.790 1.00 0.00 C ATOM 59 OH TYR A 413 5.659 -4.095 5.549 1.00 0.00 O ATOM 0 H TYR A 413 0.506 -1.686 4.614 1.00 0.00 H new ATOM 0 HA TYR A 413 1.415 -0.721 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.241 -3.429 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.270 -3.047 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 413 3.709 -2.680 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.163 -3.652 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 413 5.701 -3.252 3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 413 3.152 -4.221 6.361 1.00 0.00 H new ATOM 0 HH TYR A 413 5.373 -4.381 6.442 1.00 0.00 H new ATOM 69 N ILE A 414 -0.982 0.138 1.421 1.00 0.00 N ATOM 70 CA ILE A 414 -2.324 0.489 0.798 1.00 0.00 C ATOM 71 C ILE A 414 -2.260 0.376 -0.752 1.00 0.00 C ATOM 72 O ILE A 414 -1.270 -0.087 -1.313 1.00 0.00 O ATOM 73 CB ILE A 414 -2.805 1.916 1.264 1.00 0.00 C ATOM 74 CG1 ILE A 414 -2.275 3.075 0.370 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.397 2.184 2.723 1.00 0.00 C ATOM 76 CD1 ILE A 414 -0.766 2.971 0.133 1.00 0.00 C ATOM 0 H ILE A 414 -0.314 0.908 1.448 1.00 0.00 H new ATOM 0 HA ILE A 414 -3.064 -0.231 1.146 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.891 1.900 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -2.794 3.061 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.503 4.031 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.740 3.175 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -2.849 1.433 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.312 2.134 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -0.438 3.799 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -0.244 3.012 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -0.540 2.027 -0.363 1.00 0.00 H new ATOM 88 N LEU A 415 -3.320 0.795 -1.434 1.00 0.00 N ATOM 89 CA LEU A 415 -3.367 0.735 -2.933 1.00 0.00 C ATOM 90 C LEU A 415 -3.151 2.157 -3.484 1.00 0.00 C ATOM 91 O LEU A 415 -3.912 3.069 -3.165 1.00 0.00 O ATOM 92 CB LEU A 415 -4.736 0.200 -3.416 1.00 0.00 C ATOM 93 CG LEU A 415 -4.850 -1.347 -3.302 1.00 0.00 C ATOM 94 CD1 LEU A 415 -4.256 -1.997 -4.547 1.00 0.00 C ATOM 95 CD2 LEU A 415 -4.118 -1.901 -2.072 1.00 0.00 C ATOM 0 H LEU A 415 -4.160 1.179 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.589 0.061 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.530 0.663 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.892 0.496 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.910 -1.581 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.337 -3.081 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -4.800 -1.658 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.206 -1.717 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -4.229 -2.985 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -3.060 -1.646 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -4.544 -1.466 -1.168 1.00 0.00 H new ATOM 107 N ASP A 416 -2.125 2.353 -4.294 1.00 0.00 N ATOM 108 CA ASP A 416 -1.841 3.722 -4.870 1.00 0.00 C ATOM 109 C ASP A 416 -2.668 3.968 -6.159 1.00 0.00 C ATOM 110 O ASP A 416 -3.521 3.159 -6.527 1.00 0.00 O ATOM 111 CB ASP A 416 -0.331 3.854 -5.164 1.00 0.00 C ATOM 112 CG ASP A 416 0.220 5.118 -4.489 1.00 0.00 C ATOM 113 OD1 ASP A 416 0.445 5.081 -3.288 1.00 0.00 O ATOM 114 OD2 ASP A 416 0.405 6.103 -5.185 1.00 0.00 O ATOM 0 H ASP A 416 -1.472 1.624 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.134 4.476 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.199 2.974 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.163 3.902 -6.240 1.00 0.00 H new ATOM 119 N ASP A 417 -2.424 5.095 -6.830 1.00 0.00 N ATOM 120 CA ASP A 417 -3.174 5.452 -8.095 1.00 0.00 C ATOM 121 C ASP A 417 -3.072 4.298 -9.117 1.00 0.00 C ATOM 122 O ASP A 417 -1.988 3.946 -9.573 1.00 0.00 O ATOM 123 CB ASP A 417 -2.595 6.750 -8.702 1.00 0.00 C ATOM 124 CG ASP A 417 -2.998 7.958 -7.842 1.00 0.00 C ATOM 125 OD1 ASP A 417 -4.050 8.523 -8.101 1.00 0.00 O ATOM 126 OD2 ASP A 417 -2.247 8.301 -6.942 1.00 0.00 O ATOM 0 H ASP A 417 -1.729 5.785 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.224 5.612 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -1.509 6.681 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -2.961 6.880 -9.720 1.00 0.00 H new ATOM 131 N GLY A 418 -4.209 3.701 -9.448 1.00 0.00 N ATOM 132 CA GLY A 418 -4.244 2.548 -10.417 1.00 0.00 C ATOM 133 C GLY A 418 -4.579 1.211 -9.708 1.00 0.00 C ATOM 134 O GLY A 418 -4.704 0.203 -10.384 1.00 0.00 O ATOM 0 H GLY A 418 -5.122 3.971 -9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.986 2.745 -11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.279 2.463 -10.916 1.00 0.00 H new ATOM 138 N PHE A 419 -4.716 1.187 -8.366 1.00 0.00 N ATOM 139 CA PHE A 419 -5.033 -0.076 -7.612 1.00 0.00 C ATOM 140 C PHE A 419 -3.829 -1.048 -7.681 1.00 0.00 C ATOM 141 O PHE A 419 -3.878 -2.110 -8.295 1.00 0.00 O ATOM 142 CB PHE A 419 -6.334 -0.724 -8.150 1.00 0.00 C ATOM 143 CG PHE A 419 -6.894 -1.670 -7.109 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.752 -1.192 -6.111 1.00 0.00 C ATOM 145 CD2 PHE A 419 -6.550 -3.027 -7.142 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.263 -2.068 -5.148 1.00 0.00 C ATOM 147 CE2 PHE A 419 -7.061 -3.904 -6.179 1.00 0.00 C ATOM 148 CZ PHE A 419 -7.918 -3.424 -5.181 1.00 0.00 C ATOM 0 H PHE A 419 -4.616 2.011 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.207 0.166 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.066 0.048 -8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.129 -1.264 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -8.019 -0.146 -6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.889 -3.397 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -8.924 -1.698 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.795 -4.950 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.313 -4.100 -4.437 1.00 0.00 H new ATOM 158 N ILE A 420 -2.755 -0.674 -7.009 1.00 0.00 N ATOM 159 CA ILE A 420 -1.510 -1.524 -6.941 1.00 0.00 C ATOM 160 C ILE A 420 -0.950 -1.475 -5.498 1.00 0.00 C ATOM 161 O ILE A 420 -1.156 -0.509 -4.775 1.00 0.00 O ATOM 162 CB ILE A 420 -0.445 -1.054 -7.969 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.367 0.484 -8.056 1.00 0.00 C ATOM 164 CG2 ILE A 420 -0.797 -1.613 -9.354 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.362 1.036 -6.832 1.00 0.00 C ATOM 0 H ILE A 420 -2.689 0.204 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.765 -2.552 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 420 0.525 -1.424 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 420 0.156 0.780 -8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.371 0.905 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.052 -1.285 -10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.810 -2.702 -9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.780 -1.249 -9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.414 2.123 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.178 0.754 -5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.371 0.626 -6.794 1.00 0.00 H new ATOM 177 N CYS A 421 -0.260 -2.523 -5.076 1.00 0.00 N ATOM 178 CA CYS A 421 0.301 -2.579 -3.673 1.00 0.00 C ATOM 179 C CYS A 421 1.476 -1.595 -3.517 1.00 0.00 C ATOM 180 O CYS A 421 2.524 -1.758 -4.135 1.00 0.00 O ATOM 181 CB CYS A 421 0.766 -4.007 -3.343 1.00 0.00 C ATOM 182 SG CYS A 421 0.799 -4.232 -1.545 1.00 0.00 S ATOM 0 H CYS A 421 -0.061 -3.345 -5.646 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.488 -2.292 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.094 -4.734 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.757 -4.184 -3.760 1.00 0.00 H new ATOM 187 N THR A 422 1.294 -0.577 -2.688 1.00 0.00 N ATOM 188 CA THR A 422 2.378 0.454 -2.441 1.00 0.00 C ATOM 189 C THR A 422 3.187 0.070 -1.172 1.00 0.00 C ATOM 190 O THR A 422 2.992 -1.001 -0.596 1.00 0.00 O ATOM 191 CB THR A 422 1.773 1.880 -2.263 1.00 0.00 C ATOM 192 OG1 THR A 422 0.431 1.946 -2.747 1.00 0.00 O ATOM 193 CG2 THR A 422 2.635 2.891 -3.033 1.00 0.00 C ATOM 0 H THR A 422 0.432 -0.415 -2.167 1.00 0.00 H new ATOM 0 HA THR A 422 3.036 0.468 -3.310 1.00 0.00 H new ATOM 0 HB THR A 422 1.762 2.114 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 422 0.081 2.853 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 422 2.218 3.891 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.653 2.873 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.647 2.628 -4.091 1.00 0.00 H new ATOM 201 N ASP A 423 4.099 0.937 -0.742 1.00 0.00 N ATOM 202 CA ASP A 423 4.939 0.660 0.474 1.00 0.00 C ATOM 203 C ASP A 423 4.094 0.775 1.774 1.00 0.00 C ATOM 204 O ASP A 423 2.878 0.916 1.731 1.00 0.00 O ATOM 205 CB ASP A 423 6.113 1.659 0.512 1.00 0.00 C ATOM 206 CG ASP A 423 7.012 1.481 -0.722 1.00 0.00 C ATOM 207 OD1 ASP A 423 6.747 2.125 -1.728 1.00 0.00 O ATOM 208 OD2 ASP A 423 7.951 0.704 -0.640 1.00 0.00 O ATOM 0 H ASP A 423 4.292 1.831 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 423 5.322 -0.359 0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 423 5.729 2.679 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.697 1.508 1.420 1.00 0.00 H new ATOM 213 N ILE A 424 4.749 0.711 2.925 1.00 0.00 N ATOM 214 CA ILE A 424 4.032 0.809 4.253 1.00 0.00 C ATOM 215 C ILE A 424 3.836 2.295 4.641 1.00 0.00 C ATOM 216 O ILE A 424 2.773 2.665 5.110 1.00 0.00 O ATOM 217 CB ILE A 424 4.810 0.015 5.346 1.00 0.00 C ATOM 218 CG1 ILE A 424 4.140 0.190 6.723 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.276 0.469 5.440 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.641 -1.163 7.229 1.00 0.00 C ATOM 0 H ILE A 424 5.760 0.594 2.999 1.00 0.00 H new ATOM 0 HA ILE A 424 3.043 0.359 4.167 1.00 0.00 H new ATOM 0 HB ILE A 424 4.787 -1.035 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.850 0.615 7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.308 0.890 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.786 -0.107 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.769 0.307 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.313 1.529 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 424 3.168 -1.035 8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.916 -1.570 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.482 -1.850 7.322 1.00 0.00 H new ATOM 232 N ASP A 425 4.846 3.136 4.420 1.00 0.00 N ATOM 233 CA ASP A 425 4.763 4.613 4.730 1.00 0.00 C ATOM 234 C ASP A 425 4.329 4.851 6.210 1.00 0.00 C ATOM 235 O ASP A 425 3.460 5.669 6.501 1.00 0.00 O ATOM 236 CB ASP A 425 3.780 5.273 3.729 1.00 0.00 C ATOM 237 CG ASP A 425 4.210 4.978 2.277 1.00 0.00 C ATOM 238 OD1 ASP A 425 5.061 5.693 1.771 1.00 0.00 O ATOM 239 OD2 ASP A 425 3.679 4.040 1.697 1.00 0.00 O ATOM 0 H ASP A 425 5.742 2.846 4.028 1.00 0.00 H new ATOM 0 HA ASP A 425 5.746 5.071 4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 425 2.771 4.897 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 425 3.751 6.350 3.895 1.00 0.00 H new ATOM 244 N GLU A 426 4.961 4.139 7.137 1.00 0.00 N ATOM 245 CA GLU A 426 4.649 4.283 8.607 1.00 0.00 C ATOM 246 C GLU A 426 5.819 4.888 9.326 1.00 0.00 C ATOM 247 O GLU A 426 6.358 4.276 10.247 1.00 0.00 O ATOM 248 CB GLU A 426 4.312 2.898 9.201 1.00 0.00 C ATOM 249 CG GLU A 426 2.868 2.891 9.740 1.00 0.00 C ATOM 250 CD GLU A 426 1.914 2.274 8.703 1.00 0.00 C ATOM 251 OE1 GLU A 426 1.434 3.008 7.853 1.00 0.00 O ATOM 252 OE2 GLU A 426 1.669 1.079 8.785 1.00 0.00 O ATOM 253 OXT GLU A 426 6.274 6.089 8.967 1.00 0.00 O ATOM 0 H GLU A 426 5.689 3.456 6.928 1.00 0.00 H new ATOM 0 HA GLU A 426 3.790 4.942 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 426 4.427 2.128 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 426 5.009 2.658 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 426 2.822 2.323 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 426 2.554 3.909 9.972 1.00 0.00 H new