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= -1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -1.842 -7.038 0.763 1.00 0.00 N ATOM 2 CA CYS A 409 -1.121 -6.024 1.546 1.00 0.00 C ATOM 3 C CYS A 409 -1.927 -5.679 2.830 1.00 0.00 C ATOM 4 O CYS A 409 -3.090 -5.314 2.730 1.00 0.00 O ATOM 5 CB CYS A 409 -0.920 -4.760 0.693 1.00 0.00 C ATOM 6 SG CYS A 409 0.519 -4.986 -0.384 1.00 0.00 S ATOM 0 HA CYS A 409 -0.146 -6.417 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -1.810 -4.566 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.774 -3.893 1.337 1.00 0.00 H new ATOM 12 N PRO A 410 -1.292 -5.826 4.004 1.00 0.00 N ATOM 13 CA PRO A 410 -1.945 -5.552 5.323 1.00 0.00 C ATOM 14 C PRO A 410 -2.036 -4.031 5.645 1.00 0.00 C ATOM 15 O PRO A 410 -1.729 -3.188 4.808 1.00 0.00 O ATOM 16 CB PRO A 410 -1.030 -6.275 6.324 1.00 0.00 C ATOM 17 CG PRO A 410 0.350 -6.418 5.645 1.00 0.00 C ATOM 18 CD PRO A 410 0.120 -6.276 4.131 1.00 0.00 C ATOM 0 HA PRO A 410 -2.979 -5.895 5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.948 -5.708 7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.437 -7.253 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.038 -5.653 6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.797 -7.384 5.879 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.807 -5.553 3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.282 -7.223 3.615 1.00 0.00 H new ATOM 26 N GLU A 411 -2.472 -3.698 6.868 1.00 0.00 N ATOM 27 CA GLU A 411 -2.618 -2.256 7.320 1.00 0.00 C ATOM 28 C GLU A 411 -1.332 -1.452 7.039 1.00 0.00 C ATOM 29 O GLU A 411 -0.224 -1.923 7.285 1.00 0.00 O ATOM 30 CB GLU A 411 -2.933 -2.214 8.825 1.00 0.00 C ATOM 31 CG GLU A 411 -4.457 -2.262 9.035 1.00 0.00 C ATOM 32 CD GLU A 411 -5.076 -0.874 8.778 1.00 0.00 C ATOM 33 OE1 GLU A 411 -5.441 -0.607 7.642 1.00 0.00 O ATOM 34 OE2 GLU A 411 -5.175 -0.105 9.721 1.00 0.00 O ATOM 0 H GLU A 411 -2.735 -4.383 7.577 1.00 0.00 H new ATOM 0 HA GLU A 411 -3.435 -1.804 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -2.460 -3.056 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -2.523 -1.306 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.901 -2.996 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -4.681 -2.585 10.052 1.00 0.00 H new ATOM 41 N GLY A 412 -1.485 -0.254 6.485 1.00 0.00 N ATOM 42 CA GLY A 412 -0.300 0.606 6.121 1.00 0.00 C ATOM 43 C GLY A 412 0.025 0.400 4.629 1.00 0.00 C ATOM 44 O GLY A 412 0.257 1.357 3.905 1.00 0.00 O ATOM 0 H GLY A 412 -2.391 0.163 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -0.521 1.655 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 412 0.561 0.341 6.735 1.00 0.00 H new ATOM 48 N TYR A 413 0.011 -0.851 4.178 1.00 0.00 N ATOM 49 CA TYR A 413 0.280 -1.198 2.746 1.00 0.00 C ATOM 50 C TYR A 413 -1.061 -1.052 1.978 1.00 0.00 C ATOM 51 O TYR A 413 -1.837 -1.999 1.865 1.00 0.00 O ATOM 52 CB TYR A 413 0.803 -2.658 2.670 1.00 0.00 C ATOM 53 CG TYR A 413 1.983 -2.879 3.600 1.00 0.00 C ATOM 54 CD1 TYR A 413 3.284 -2.667 3.140 1.00 0.00 C ATOM 55 CD2 TYR A 413 1.770 -3.306 4.919 1.00 0.00 C ATOM 56 CE1 TYR A 413 4.372 -2.878 3.997 1.00 0.00 C ATOM 57 CE2 TYR A 413 2.857 -3.516 5.773 1.00 0.00 C ATOM 58 CZ TYR A 413 4.159 -3.301 5.312 1.00 0.00 C ATOM 59 OH TYR A 413 5.234 -3.500 6.153 1.00 0.00 O ATOM 0 H TYR A 413 -0.182 -1.659 4.770 1.00 0.00 H new ATOM 0 HA TYR A 413 1.033 -0.543 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -0.000 -3.347 2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.099 -2.886 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 413 3.452 -2.341 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 413 0.764 -3.473 5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 413 5.378 -2.713 3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 413 2.691 -3.844 6.788 1.00 0.00 H new ATOM 0 HH TYR A 413 4.912 -3.792 7.031 1.00 0.00 H new ATOM 69 N ILE A 414 -1.356 0.151 1.496 1.00 0.00 N ATOM 70 CA ILE A 414 -2.670 0.409 0.773 1.00 0.00 C ATOM 71 C ILE A 414 -2.504 0.322 -0.771 1.00 0.00 C ATOM 72 O ILE A 414 -1.432 0.007 -1.284 1.00 0.00 O ATOM 73 CB ILE A 414 -3.294 1.788 1.217 1.00 0.00 C ATOM 74 CG1 ILE A 414 -2.844 2.989 0.333 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.960 2.100 2.686 1.00 0.00 C ATOM 76 CD1 ILE A 414 -1.324 3.029 0.155 1.00 0.00 C ATOM 0 H ILE A 414 -0.745 0.964 1.571 1.00 0.00 H new ATOM 0 HA ILE A 414 -3.367 -0.378 1.060 1.00 0.00 H new ATOM 0 HB ILE A 414 -4.370 1.669 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.322 2.920 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -3.181 3.921 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -3.403 3.056 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -3.362 1.314 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.878 2.151 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -1.053 3.882 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -0.846 3.125 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -0.989 2.109 -0.324 1.00 0.00 H new ATOM 88 N LEU A 415 -3.577 0.606 -1.500 1.00 0.00 N ATOM 89 CA LEU A 415 -3.557 0.567 -2.997 1.00 0.00 C ATOM 90 C LEU A 415 -3.486 2.016 -3.513 1.00 0.00 C ATOM 91 O LEU A 415 -4.399 2.806 -3.282 1.00 0.00 O ATOM 92 CB LEU A 415 -4.842 -0.100 -3.544 1.00 0.00 C ATOM 93 CG LEU A 415 -4.861 -1.643 -3.358 1.00 0.00 C ATOM 94 CD1 LEU A 415 -3.816 -2.301 -4.257 1.00 0.00 C ATOM 95 CD2 LEU A 415 -4.595 -2.045 -1.900 1.00 0.00 C ATOM 0 H LEU A 415 -4.479 0.867 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.696 -0.012 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.708 0.330 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.940 0.132 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.858 -1.987 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -3.842 -3.381 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -4.033 -2.067 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.826 -1.925 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -4.617 -3.131 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -3.616 -1.676 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -5.363 -1.614 -1.258 1.00 0.00 H new ATOM 107 N ASP A 416 -2.415 2.364 -4.200 1.00 0.00 N ATOM 108 CA ASP A 416 -2.254 3.766 -4.742 1.00 0.00 C ATOM 109 C ASP A 416 -2.012 3.739 -6.271 1.00 0.00 C ATOM 110 O ASP A 416 -2.130 2.693 -6.899 1.00 0.00 O ATOM 111 CB ASP A 416 -1.078 4.454 -4.015 1.00 0.00 C ATOM 112 CG ASP A 416 -1.506 5.840 -3.516 1.00 0.00 C ATOM 113 OD1 ASP A 416 -1.449 6.778 -4.298 1.00 0.00 O ATOM 114 OD2 ASP A 416 -1.882 5.940 -2.358 1.00 0.00 O ATOM 0 H ASP A 416 -1.640 1.735 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 416 -3.170 4.330 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.751 3.841 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.228 4.549 -4.691 1.00 0.00 H new ATOM 119 N ASP A 417 -1.692 4.898 -6.860 1.00 0.00 N ATOM 120 CA ASP A 417 -1.434 5.030 -8.345 1.00 0.00 C ATOM 121 C ASP A 417 -2.662 4.530 -9.151 1.00 0.00 C ATOM 122 O ASP A 417 -3.545 5.316 -9.468 1.00 0.00 O ATOM 123 CB ASP A 417 -0.143 4.261 -8.725 1.00 0.00 C ATOM 124 CG ASP A 417 1.062 4.819 -7.951 1.00 0.00 C ATOM 125 OD1 ASP A 417 1.648 5.785 -8.415 1.00 0.00 O ATOM 126 OD2 ASP A 417 1.383 4.264 -6.911 1.00 0.00 O ATOM 0 H ASP A 417 -1.599 5.776 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 417 -1.284 6.080 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -0.266 3.201 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 417 0.035 4.345 -9.797 1.00 0.00 H new ATOM 131 N GLY A 418 -2.733 3.236 -9.446 1.00 0.00 N ATOM 132 CA GLY A 418 -3.898 2.648 -10.190 1.00 0.00 C ATOM 133 C GLY A 418 -4.363 1.367 -9.480 1.00 0.00 C ATOM 134 O GLY A 418 -4.600 0.361 -10.129 1.00 0.00 O ATOM 0 H GLY A 418 -2.014 2.558 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -4.715 3.368 -10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.612 2.424 -11.218 1.00 0.00 H new ATOM 138 N PHE A 419 -4.469 1.405 -8.145 1.00 0.00 N ATOM 139 CA PHE A 419 -4.895 0.216 -7.326 1.00 0.00 C ATOM 140 C PHE A 419 -3.768 -0.850 -7.336 1.00 0.00 C ATOM 141 O PHE A 419 -3.923 -1.955 -7.846 1.00 0.00 O ATOM 142 CB PHE A 419 -6.240 -0.350 -7.848 1.00 0.00 C ATOM 143 CG PHE A 419 -6.904 -1.175 -6.764 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.760 -0.563 -5.840 1.00 0.00 C ATOM 145 CD2 PHE A 419 -6.662 -2.552 -6.687 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.371 -1.327 -4.840 1.00 0.00 C ATOM 147 CE2 PHE A 419 -7.274 -3.316 -5.687 1.00 0.00 C ATOM 148 CZ PHE A 419 -8.128 -2.703 -4.764 1.00 0.00 C ATOM 0 H PHE A 419 -4.270 2.238 -7.590 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.060 0.522 -6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -6.896 0.466 -8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.068 -0.964 -8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -7.948 0.499 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -6.003 -3.025 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -9.030 -0.855 -4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.087 -4.378 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.600 -3.292 -3.992 1.00 0.00 H new ATOM 158 N ILE A 420 -2.630 -0.502 -6.753 1.00 0.00 N ATOM 159 CA ILE A 420 -1.453 -1.450 -6.676 1.00 0.00 C ATOM 160 C ILE A 420 -0.846 -1.419 -5.255 1.00 0.00 C ATOM 161 O ILE A 420 -0.955 -0.425 -4.541 1.00 0.00 O ATOM 162 CB ILE A 420 -0.378 -1.107 -7.744 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.163 0.415 -7.879 1.00 0.00 C ATOM 164 CG2 ILE A 420 -0.822 -1.670 -9.101 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.623 0.947 -6.678 1.00 0.00 C ATOM 0 H ILE A 420 -2.466 0.408 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.810 -2.458 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 420 0.564 -1.553 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 420 0.376 0.633 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.126 0.921 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.072 -1.433 -9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.934 -2.752 -9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.776 -1.225 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.768 2.022 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 420 0.068 0.745 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.593 0.453 -6.631 1.00 0.00 H new ATOM 177 N CYS A 421 -0.225 -2.518 -4.842 1.00 0.00 N ATOM 178 CA CYS A 421 0.386 -2.615 -3.462 1.00 0.00 C ATOM 179 C CYS A 421 1.501 -1.563 -3.301 1.00 0.00 C ATOM 180 O CYS A 421 2.559 -1.659 -3.913 1.00 0.00 O ATOM 181 CB CYS A 421 0.947 -4.029 -3.224 1.00 0.00 C ATOM 182 SG CYS A 421 -0.244 -4.992 -2.254 1.00 0.00 S ATOM 0 H CYS A 421 -0.116 -3.358 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.389 -2.420 -2.721 1.00 0.00 H new ATOM 0 HB2 CYS A 421 1.139 -4.521 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.900 -3.971 -2.697 1.00 0.00 H new ATOM 187 N THR A 422 1.237 -0.552 -2.492 1.00 0.00 N ATOM 188 CA THR A 422 2.227 0.566 -2.255 1.00 0.00 C ATOM 189 C THR A 422 3.130 0.236 -1.048 1.00 0.00 C ATOM 190 O THR A 422 2.711 -0.438 -0.108 1.00 0.00 O ATOM 191 CB THR A 422 1.468 1.885 -1.986 1.00 0.00 C ATOM 192 OG1 THR A 422 0.392 2.018 -2.906 1.00 0.00 O ATOM 193 CG2 THR A 422 2.410 3.080 -2.155 1.00 0.00 C ATOM 0 H THR A 422 0.362 -0.452 -1.977 1.00 0.00 H new ATOM 0 HA THR A 422 2.850 0.677 -3.143 1.00 0.00 H new ATOM 0 HB THR A 422 1.085 1.862 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.362 1.468 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 422 1.864 4.004 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.237 2.994 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.801 3.094 -3.172 1.00 0.00 H new ATOM 201 N ASP A 423 4.367 0.721 -1.075 1.00 0.00 N ATOM 202 CA ASP A 423 5.338 0.470 0.045 1.00 0.00 C ATOM 203 C ASP A 423 4.989 1.336 1.290 1.00 0.00 C ATOM 204 O ASP A 423 3.958 2.004 1.333 1.00 0.00 O ATOM 205 CB ASP A 423 6.767 0.787 -0.439 1.00 0.00 C ATOM 206 CG ASP A 423 7.146 -0.114 -1.626 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.599 -1.223 -1.385 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.980 0.323 -2.755 1.00 0.00 O ATOM 0 H ASP A 423 4.741 1.285 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 423 5.274 -0.578 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 423 6.833 1.834 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 423 7.475 0.640 0.377 1.00 0.00 H new ATOM 213 N ILE A 424 5.852 1.309 2.303 1.00 0.00 N ATOM 214 CA ILE A 424 5.622 2.096 3.579 1.00 0.00 C ATOM 215 C ILE A 424 6.844 1.983 4.530 1.00 0.00 C ATOM 216 O ILE A 424 7.324 2.995 5.016 1.00 0.00 O ATOM 217 CB ILE A 424 4.327 1.596 4.281 1.00 0.00 C ATOM 218 CG1 ILE A 424 4.100 2.356 5.601 1.00 0.00 C ATOM 219 CG2 ILE A 424 4.399 0.091 4.567 1.00 0.00 C ATOM 220 CD1 ILE A 424 2.779 1.909 6.233 1.00 0.00 C ATOM 0 H ILE A 424 6.716 0.767 2.296 1.00 0.00 H new ATOM 0 HA ILE A 424 5.500 3.148 3.323 1.00 0.00 H new ATOM 0 HB ILE A 424 3.493 1.786 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.925 2.167 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 424 4.080 3.430 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 424 3.480 -0.230 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 424 4.519 -0.452 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 424 5.249 -0.116 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.621 2.449 7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 424 1.958 2.121 5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 424 2.816 0.838 6.434 1.00 0.00 H new ATOM 232 N ASP A 425 7.326 0.762 4.798 1.00 0.00 N ATOM 233 CA ASP A 425 8.498 0.531 5.718 1.00 0.00 C ATOM 234 C ASP A 425 8.134 1.035 7.142 1.00 0.00 C ATOM 235 O ASP A 425 8.791 1.907 7.702 1.00 0.00 O ATOM 236 CB ASP A 425 9.755 1.231 5.141 1.00 0.00 C ATOM 237 CG ASP A 425 10.124 0.616 3.780 1.00 0.00 C ATOM 238 OD1 ASP A 425 9.607 1.087 2.774 1.00 0.00 O ATOM 239 OD2 ASP A 425 10.912 -0.316 3.764 1.00 0.00 O ATOM 0 H ASP A 425 6.938 -0.094 4.402 1.00 0.00 H new ATOM 0 HA ASP A 425 8.728 -0.532 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 425 9.566 2.299 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 425 10.590 1.127 5.834 1.00 0.00 H new ATOM 244 N GLU A 426 7.056 0.466 7.697 1.00 0.00 N ATOM 245 CA GLU A 426 6.520 0.825 9.074 1.00 0.00 C ATOM 246 C GLU A 426 5.819 2.152 9.040 1.00 0.00 C ATOM 247 O GLU A 426 6.165 3.050 9.806 1.00 0.00 O ATOM 248 CB GLU A 426 7.646 0.809 10.148 1.00 0.00 C ATOM 249 CG GLU A 426 7.728 -0.577 10.828 1.00 0.00 C ATOM 250 CD GLU A 426 8.088 -1.669 9.798 1.00 0.00 C ATOM 251 OE1 GLU A 426 9.263 -1.811 9.493 1.00 0.00 O ATOM 252 OE2 GLU A 426 7.181 -2.346 9.334 1.00 0.00 O ATOM 253 OXT GLU A 426 4.820 2.357 8.180 1.00 0.00 O ATOM 0 H GLU A 426 6.511 -0.258 7.228 1.00 0.00 H new ATOM 0 HA GLU A 426 5.793 0.064 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 426 8.602 1.050 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 426 7.453 1.577 10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 426 8.477 -0.556 11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 426 6.774 -0.814 11.298 1.00 0.00 H new TER 261 GLU A 426