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= -0.277 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -1.879 -6.733 0.680 1.00 0.00 N ATOM 2 CA CYS A 409 -1.250 -5.537 1.260 1.00 0.00 C ATOM 3 C CYS A 409 -1.955 -5.193 2.605 1.00 0.00 C ATOM 4 O CYS A 409 -3.060 -4.669 2.593 1.00 0.00 O ATOM 5 CB CYS A 409 -1.351 -4.342 0.278 1.00 0.00 C ATOM 6 SG CYS A 409 -1.074 -4.894 -1.429 1.00 0.00 S ATOM 0 HA CYS A 409 -0.194 -5.736 1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.334 -3.878 0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.616 -3.582 0.544 1.00 0.00 H new ATOM 12 N PRO A 410 -1.305 -5.527 3.730 1.00 0.00 N ATOM 13 CA PRO A 410 -1.863 -5.282 5.098 1.00 0.00 C ATOM 14 C PRO A 410 -1.744 -3.792 5.535 1.00 0.00 C ATOM 15 O PRO A 410 -1.407 -2.928 4.733 1.00 0.00 O ATOM 16 CB PRO A 410 -1.014 -6.199 5.993 1.00 0.00 C ATOM 17 CG PRO A 410 0.306 -6.465 5.236 1.00 0.00 C ATOM 18 CD PRO A 410 0.034 -6.177 3.750 1.00 0.00 C ATOM 0 HA PRO A 410 -2.931 -5.492 5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.819 -5.727 6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.538 -7.133 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.104 -5.825 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.631 -7.496 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.797 -5.524 3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.038 -7.095 3.162 1.00 0.00 H new ATOM 26 N GLU A 411 -2.038 -3.508 6.812 1.00 0.00 N ATOM 27 CA GLU A 411 -1.974 -2.096 7.373 1.00 0.00 C ATOM 28 C GLU A 411 -0.659 -1.398 6.969 1.00 0.00 C ATOM 29 O GLU A 411 0.421 -1.968 7.094 1.00 0.00 O ATOM 30 CB GLU A 411 -2.082 -2.142 8.907 1.00 0.00 C ATOM 31 CG GLU A 411 -3.562 -2.061 9.324 1.00 0.00 C ATOM 32 CD GLU A 411 -4.047 -0.600 9.292 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.489 -0.162 8.240 1.00 0.00 O ATOM 34 OE2 GLU A 411 -3.972 0.053 10.321 1.00 0.00 O ATOM 0 H GLU A 411 -2.323 -4.212 7.493 1.00 0.00 H new ATOM 0 HA GLU A 411 -2.807 -1.527 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -1.637 -3.062 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -1.524 -1.315 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.170 -2.668 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -3.688 -2.471 10.326 1.00 0.00 H new ATOM 41 N GLY A 412 -0.764 -0.184 6.443 1.00 0.00 N ATOM 42 CA GLY A 412 0.444 0.577 5.966 1.00 0.00 C ATOM 43 C GLY A 412 0.611 0.346 4.457 1.00 0.00 C ATOM 44 O GLY A 412 0.754 1.292 3.697 1.00 0.00 O ATOM 0 H GLY A 412 -1.648 0.311 6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.326 1.640 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 412 1.334 0.244 6.499 1.00 0.00 H new ATOM 48 N TYR A 413 0.555 -0.913 4.030 1.00 0.00 N ATOM 49 CA TYR A 413 0.668 -1.278 2.580 1.00 0.00 C ATOM 50 C TYR A 413 -0.709 -1.000 1.919 1.00 0.00 C ATOM 51 O TYR A 413 -1.574 -1.871 1.852 1.00 0.00 O ATOM 52 CB TYR A 413 1.045 -2.778 2.446 1.00 0.00 C ATOM 53 CG TYR A 413 2.268 -3.136 3.277 1.00 0.00 C ATOM 54 CD1 TYR A 413 2.112 -3.572 4.600 1.00 0.00 C ATOM 55 CD2 TYR A 413 3.549 -3.051 2.720 1.00 0.00 C ATOM 56 CE1 TYR A 413 3.230 -3.922 5.361 1.00 0.00 C ATOM 57 CE2 TYR A 413 4.671 -3.400 3.486 1.00 0.00 C ATOM 58 CZ TYR A 413 4.509 -3.836 4.805 1.00 0.00 C ATOM 59 OH TYR A 413 5.614 -4.179 5.558 1.00 0.00 O ATOM 0 H TYR A 413 0.432 -1.713 4.651 1.00 0.00 H new ATOM 0 HA TYR A 413 1.444 -0.691 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.201 -3.393 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.238 -3.011 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 413 1.124 -3.638 5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 413 3.674 -2.717 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 413 3.106 -4.259 6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 413 5.660 -3.332 3.057 1.00 0.00 H new ATOM 0 HH TYR A 413 6.425 -4.063 5.020 1.00 0.00 H new ATOM 69 N ILE A 414 -0.926 0.229 1.473 1.00 0.00 N ATOM 70 CA ILE A 414 -2.255 0.625 0.845 1.00 0.00 C ATOM 71 C ILE A 414 -2.255 0.382 -0.693 1.00 0.00 C ATOM 72 O ILE A 414 -1.344 -0.236 -1.234 1.00 0.00 O ATOM 73 CB ILE A 414 -2.577 2.115 1.167 1.00 0.00 C ATOM 74 CG1 ILE A 414 -1.581 3.069 0.470 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.522 2.347 2.685 1.00 0.00 C ATOM 76 CD1 ILE A 414 -2.244 4.430 0.235 1.00 0.00 C ATOM 0 H ILE A 414 -0.238 0.981 1.516 1.00 0.00 H new ATOM 0 HA ILE A 414 -3.033 -0.006 1.275 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.579 2.327 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -0.689 3.190 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -1.259 2.642 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.748 3.391 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -3.254 1.707 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.525 2.108 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -1.538 5.099 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.123 4.302 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -2.544 4.859 1.191 1.00 0.00 H new ATOM 88 N LEU A 415 -3.291 0.861 -1.383 1.00 0.00 N ATOM 89 CA LEU A 415 -3.402 0.691 -2.871 1.00 0.00 C ATOM 90 C LEU A 415 -3.249 2.074 -3.538 1.00 0.00 C ATOM 91 O LEU A 415 -4.023 2.988 -3.262 1.00 0.00 O ATOM 92 CB LEU A 415 -4.777 0.094 -3.245 1.00 0.00 C ATOM 93 CG LEU A 415 -4.866 -1.426 -2.951 1.00 0.00 C ATOM 94 CD1 LEU A 415 -3.743 -2.189 -3.661 1.00 0.00 C ATOM 95 CD2 LEU A 415 -4.785 -1.694 -1.443 1.00 0.00 C ATOM 0 H LEU A 415 -4.069 1.368 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.621 0.013 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.558 0.614 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.969 0.268 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.827 -1.776 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -3.828 -3.253 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.823 -2.036 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.777 -1.822 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -4.849 -2.767 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -3.838 -1.316 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -5.610 -1.190 -0.939 1.00 0.00 H new ATOM 107 N ASP A 416 -2.256 2.229 -4.397 1.00 0.00 N ATOM 108 CA ASP A 416 -2.017 3.553 -5.091 1.00 0.00 C ATOM 109 C ASP A 416 -2.178 3.422 -6.626 1.00 0.00 C ATOM 110 O ASP A 416 -2.577 2.378 -7.126 1.00 0.00 O ATOM 111 CB ASP A 416 -0.594 4.039 -4.743 1.00 0.00 C ATOM 112 CG ASP A 416 -0.663 5.097 -3.637 1.00 0.00 C ATOM 113 OD1 ASP A 416 -0.640 4.717 -2.477 1.00 0.00 O ATOM 114 OD2 ASP A 416 -0.737 6.270 -3.969 1.00 0.00 O ATOM 0 H ASP A 416 -1.597 1.492 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.757 4.275 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.018 3.198 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.116 4.456 -5.629 1.00 0.00 H new ATOM 119 N ASP A 417 -1.868 4.500 -7.360 1.00 0.00 N ATOM 120 CA ASP A 417 -1.964 4.539 -8.871 1.00 0.00 C ATOM 121 C ASP A 417 -3.344 4.015 -9.357 1.00 0.00 C ATOM 122 O ASP A 417 -4.303 4.774 -9.391 1.00 0.00 O ATOM 123 CB ASP A 417 -0.789 3.730 -9.476 1.00 0.00 C ATOM 124 CG ASP A 417 0.555 4.363 -9.087 1.00 0.00 C ATOM 125 OD1 ASP A 417 0.984 5.274 -9.779 1.00 0.00 O ATOM 126 OD2 ASP A 417 1.135 3.923 -8.106 1.00 0.00 O ATOM 0 H ASP A 417 -1.543 5.376 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 417 -1.887 5.571 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -0.829 2.700 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -0.882 3.698 -10.562 1.00 0.00 H new ATOM 131 N GLY A 418 -3.451 2.733 -9.704 1.00 0.00 N ATOM 132 CA GLY A 418 -4.754 2.138 -10.160 1.00 0.00 C ATOM 133 C GLY A 418 -5.031 0.858 -9.364 1.00 0.00 C ATOM 134 O GLY A 418 -5.299 -0.181 -9.948 1.00 0.00 O ATOM 0 H GLY A 418 -2.673 2.074 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.564 2.853 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.712 1.915 -11.226 1.00 0.00 H new ATOM 138 N PHE A 419 -4.945 0.937 -8.033 1.00 0.00 N ATOM 139 CA PHE A 419 -5.177 -0.243 -7.126 1.00 0.00 C ATOM 140 C PHE A 419 -3.982 -1.228 -7.230 1.00 0.00 C ATOM 141 O PHE A 419 -4.100 -2.337 -7.741 1.00 0.00 O ATOM 142 CB PHE A 419 -6.523 -0.932 -7.457 1.00 0.00 C ATOM 143 CG PHE A 419 -6.988 -1.748 -6.269 1.00 0.00 C ATOM 144 CD1 PHE A 419 -6.570 -3.077 -6.125 1.00 0.00 C ATOM 145 CD2 PHE A 419 -7.839 -1.176 -5.317 1.00 0.00 C ATOM 146 CE1 PHE A 419 -7.001 -3.833 -5.030 1.00 0.00 C ATOM 147 CE2 PHE A 419 -8.271 -1.933 -4.220 1.00 0.00 C ATOM 148 CZ PHE A 419 -7.853 -3.261 -4.077 1.00 0.00 C ATOM 0 H PHE A 419 -4.717 1.799 -7.537 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.241 0.103 -6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.273 -0.183 -7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.408 -1.576 -8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.914 -3.519 -6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -8.163 -0.152 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -6.677 -4.857 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -8.927 -1.491 -3.484 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.187 -3.845 -3.232 1.00 0.00 H new ATOM 158 N ILE A 420 -2.834 -0.813 -6.717 1.00 0.00 N ATOM 159 CA ILE A 420 -1.600 -1.688 -6.722 1.00 0.00 C ATOM 160 C ILE A 420 -0.934 -1.651 -5.329 1.00 0.00 C ATOM 161 O ILE A 420 -1.100 -0.699 -4.574 1.00 0.00 O ATOM 162 CB ILE A 420 -0.598 -1.277 -7.836 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.481 0.253 -7.980 1.00 0.00 C ATOM 164 CG2 ILE A 420 -1.075 -1.866 -9.171 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.295 0.839 -6.798 1.00 0.00 C ATOM 0 H ILE A 420 -2.699 0.104 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.907 -2.710 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 420 0.384 -1.662 -7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 420 0.024 0.500 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.475 0.698 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.380 -1.585 -9.962 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -1.118 -2.953 -9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -2.067 -1.480 -9.405 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.370 1.920 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.227 0.608 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.295 0.407 -6.769 1.00 0.00 H new ATOM 177 N CYS A 421 -0.209 -2.704 -4.981 1.00 0.00 N ATOM 178 CA CYS A 421 0.451 -2.801 -3.625 1.00 0.00 C ATOM 179 C CYS A 421 1.519 -1.705 -3.429 1.00 0.00 C ATOM 180 O CYS A 421 2.623 -1.782 -3.958 1.00 0.00 O ATOM 181 CB CYS A 421 1.080 -4.195 -3.439 1.00 0.00 C ATOM 182 SG CYS A 421 0.917 -4.700 -1.706 1.00 0.00 S ATOM 0 H CYS A 421 -0.046 -3.508 -5.587 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.321 -2.650 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.587 -4.918 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 421 2.131 -4.173 -3.726 1.00 0.00 H new ATOM 187 N THR A 422 1.175 -0.696 -2.646 1.00 0.00 N ATOM 188 CA THR A 422 2.127 0.443 -2.333 1.00 0.00 C ATOM 189 C THR A 422 2.963 0.074 -1.081 1.00 0.00 C ATOM 190 O THR A 422 2.656 -0.889 -0.373 1.00 0.00 O ATOM 191 CB THR A 422 1.353 1.767 -2.051 1.00 0.00 C ATOM 192 OG1 THR A 422 0.065 1.749 -2.662 1.00 0.00 O ATOM 193 CG2 THR A 422 2.148 2.954 -2.608 1.00 0.00 C ATOM 0 H THR A 422 0.261 -0.610 -2.202 1.00 0.00 H new ATOM 0 HA THR A 422 2.773 0.597 -3.197 1.00 0.00 H new ATOM 0 HB THR A 422 1.229 1.864 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.526 1.147 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 422 1.607 3.879 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.125 2.996 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.278 2.832 -3.683 1.00 0.00 H new ATOM 201 N ASP A 423 4.016 0.835 -0.801 1.00 0.00 N ATOM 202 CA ASP A 423 4.890 0.561 0.393 1.00 0.00 C ATOM 203 C ASP A 423 4.130 0.849 1.724 1.00 0.00 C ATOM 204 O ASP A 423 2.929 1.107 1.728 1.00 0.00 O ATOM 205 CB ASP A 423 6.159 1.428 0.296 1.00 0.00 C ATOM 206 CG ASP A 423 6.985 1.030 -0.939 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.809 0.138 -0.814 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.777 1.625 -1.986 1.00 0.00 O ATOM 0 H ASP A 423 4.303 1.639 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 423 5.167 -0.493 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 423 5.884 2.481 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.760 1.308 1.198 1.00 0.00 H new ATOM 213 N ILE A 424 4.832 0.786 2.847 1.00 0.00 N ATOM 214 CA ILE A 424 4.193 1.025 4.197 1.00 0.00 C ATOM 215 C ILE A 424 4.595 2.410 4.762 1.00 0.00 C ATOM 216 O ILE A 424 3.727 3.204 5.086 1.00 0.00 O ATOM 217 CB ILE A 424 4.546 -0.137 5.176 1.00 0.00 C ATOM 218 CG1 ILE A 424 3.966 0.151 6.567 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.064 -0.353 5.307 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.522 -1.157 7.221 1.00 0.00 C ATOM 0 H ILE A 424 5.830 0.577 2.884 1.00 0.00 H new ATOM 0 HA ILE A 424 3.110 1.035 4.078 1.00 0.00 H new ATOM 0 HB ILE A 424 4.108 -1.044 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.714 0.644 7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.120 0.833 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.256 -1.172 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.482 -0.597 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.530 0.557 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 424 3.111 -0.949 8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.760 -1.632 6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.378 -1.824 7.318 1.00 0.00 H new ATOM 232 N ASP A 425 5.893 2.696 4.857 1.00 0.00 N ATOM 233 CA ASP A 425 6.402 4.022 5.376 1.00 0.00 C ATOM 234 C ASP A 425 5.788 4.354 6.773 1.00 0.00 C ATOM 235 O ASP A 425 5.313 5.460 7.018 1.00 0.00 O ATOM 236 CB ASP A 425 6.079 5.121 4.332 1.00 0.00 C ATOM 237 CG ASP A 425 6.675 4.752 2.962 1.00 0.00 C ATOM 238 OD1 ASP A 425 7.838 5.049 2.740 1.00 0.00 O ATOM 239 OD2 ASP A 425 5.955 4.177 2.158 1.00 0.00 O ATOM 0 H ASP A 425 6.632 2.046 4.589 1.00 0.00 H new ATOM 0 HA ASP A 425 7.482 3.970 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.999 5.243 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 425 6.482 6.078 4.665 1.00 0.00 H new ATOM 244 N GLU A 426 5.825 3.389 7.687 1.00 0.00 N ATOM 245 CA GLU A 426 5.278 3.595 9.081 1.00 0.00 C ATOM 246 C GLU A 426 6.394 3.938 10.024 1.00 0.00 C ATOM 247 O GLU A 426 6.608 3.229 11.006 1.00 0.00 O ATOM 248 CB GLU A 426 4.549 2.316 9.555 1.00 0.00 C ATOM 249 CG GLU A 426 3.070 2.632 9.855 1.00 0.00 C ATOM 250 CD GLU A 426 2.170 2.116 8.719 1.00 0.00 C ATOM 251 OE1 GLU A 426 2.056 2.801 7.714 1.00 0.00 O ATOM 252 OE2 GLU A 426 1.601 1.046 8.879 1.00 0.00 O ATOM 253 OXT GLU A 426 7.153 5.011 9.798 1.00 0.00 O ATOM 0 H GLU A 426 6.215 2.461 7.520 1.00 0.00 H new ATOM 0 HA GLU A 426 4.566 4.420 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 426 4.616 1.544 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 426 5.033 1.921 10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 426 2.777 2.170 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 426 2.938 3.708 9.972 1.00 0.00 H new TER 261 GLU A 426