USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 128 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 174 SER OG : rot -136:sc= 1.3 USER MOD Single : A 175 THR OG1 : rot -25:sc= 1.31 USER MOD Single : A 179 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 184 SER OG : rot 55:sc= 1.27 USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 3.148 2.384 5.854 1.00 0.00 N ATOM 2 CA VAL A 171 3.495 2.127 4.420 1.00 0.00 C ATOM 3 C VAL A 171 2.427 1.356 3.559 1.00 0.00 C ATOM 4 O VAL A 171 2.123 1.866 2.480 1.00 0.00 O ATOM 5 CB VAL A 171 4.938 1.541 4.174 1.00 0.00 C ATOM 6 CG1 VAL A 171 5.507 2.026 2.823 1.00 0.00 C ATOM 7 CG2 VAL A 171 6.023 1.845 5.227 1.00 0.00 C ATOM 0 HA VAL A 171 3.488 3.150 4.043 1.00 0.00 H new ATOM 0 HB VAL A 171 4.747 0.469 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.503 1.608 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 171 4.854 1.698 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 171 5.567 3.114 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 171 6.962 1.379 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 171 6.162 2.923 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 171 5.714 1.447 6.194 1.00 0.00 H new ATOM 17 N PRO A 172 1.878 0.162 3.927 1.00 0.00 N ATOM 18 CA PRO A 172 0.906 -0.611 3.099 1.00 0.00 C ATOM 19 C PRO A 172 -0.287 0.182 2.484 1.00 0.00 C ATOM 20 O PRO A 172 -0.898 1.022 3.151 1.00 0.00 O ATOM 21 CB PRO A 172 0.448 -1.697 4.096 1.00 0.00 C ATOM 22 CG PRO A 172 1.597 -1.849 5.094 1.00 0.00 C ATOM 23 CD PRO A 172 2.141 -0.430 5.234 1.00 0.00 C ATOM 0 HA PRO A 172 1.372 -0.978 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.473 -1.403 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.245 -2.638 3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 172 1.249 -2.241 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 172 2.359 -2.536 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 172 1.638 0.117 6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 172 3.205 -0.429 5.469 1.00 0.00 H new ATOM 31 N CYS A 173 -0.632 -0.092 1.220 1.00 0.00 N ATOM 32 CA CYS A 173 -1.678 0.656 0.474 1.00 0.00 C ATOM 33 C CYS A 173 -3.117 0.621 1.088 1.00 0.00 C ATOM 34 O CYS A 173 -3.799 1.651 1.062 1.00 0.00 O ATOM 35 CB CYS A 173 -1.526 0.263 -0.993 1.00 0.00 C ATOM 36 SG CYS A 173 -0.637 1.510 -1.923 1.00 0.00 S ATOM 0 H CYS A 173 -0.199 -0.838 0.676 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.518 1.730 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -0.998 -0.688 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.512 0.114 -1.434 1.00 0.00 H new ATOM 41 N SER A 174 -3.543 -0.500 1.706 1.00 0.00 N ATOM 42 CA SER A 174 -4.768 -0.517 2.565 1.00 0.00 C ATOM 43 C SER A 174 -4.780 0.424 3.823 1.00 0.00 C ATOM 44 O SER A 174 -5.824 0.630 4.442 1.00 0.00 O ATOM 45 CB SER A 174 -5.054 -1.966 3.015 1.00 0.00 C ATOM 46 OG SER A 174 -4.100 -2.446 3.970 1.00 0.00 O ATOM 0 H SER A 174 -3.070 -1.401 1.634 1.00 0.00 H new ATOM 0 HA SER A 174 -5.547 -0.109 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 174 -6.053 -2.017 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 174 -5.050 -2.620 2.143 1.00 0.00 H new ATOM 0 HG SER A 174 -3.838 -3.362 3.739 1.00 0.00 H new ATOM 52 N THR A 175 -3.608 0.934 4.218 1.00 0.00 N ATOM 53 CA THR A 175 -3.424 1.881 5.351 1.00 0.00 C ATOM 54 C THR A 175 -3.118 3.362 4.904 1.00 0.00 C ATOM 55 O THR A 175 -3.378 4.287 5.676 1.00 0.00 O ATOM 56 CB THR A 175 -2.380 1.292 6.352 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.050 1.316 5.834 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.673 -0.158 6.787 1.00 0.00 C ATOM 0 H THR A 175 -2.731 0.700 3.753 1.00 0.00 H new ATOM 0 HA THR A 175 -4.377 1.977 5.872 1.00 0.00 H new ATOM 0 HB THR A 175 -2.468 1.948 7.218 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.080 1.315 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 175 -1.902 -0.492 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.646 -0.201 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.678 -0.807 5.911 1.00 0.00 H new ATOM 66 N CYS A 176 -2.585 3.610 3.683 1.00 0.00 N ATOM 67 CA CYS A 176 -2.413 4.967 3.102 1.00 0.00 C ATOM 68 C CYS A 176 -3.779 5.648 2.729 1.00 0.00 C ATOM 69 O CYS A 176 -3.963 6.844 2.960 1.00 0.00 O ATOM 70 CB CYS A 176 -1.448 4.723 1.917 1.00 0.00 C ATOM 71 SG CYS A 176 0.143 4.150 2.538 1.00 0.00 S ATOM 0 H CYS A 176 -2.258 2.866 3.066 1.00 0.00 H new ATOM 0 HA CYS A 176 -2.000 5.695 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.871 3.984 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.317 5.643 1.347 1.00 0.00 H new ATOM 76 N GLU A 177 -4.712 4.876 2.135 1.00 0.00 N ATOM 77 CA GLU A 177 -6.130 5.252 1.886 1.00 0.00 C ATOM 78 C GLU A 177 -6.434 6.598 1.167 1.00 0.00 C ATOM 79 O GLU A 177 -7.282 7.399 1.570 1.00 0.00 O ATOM 80 CB GLU A 177 -6.964 5.037 3.191 1.00 0.00 C ATOM 81 CG GLU A 177 -7.065 3.589 3.739 1.00 0.00 C ATOM 82 CD GLU A 177 -7.806 2.598 2.841 1.00 0.00 C ATOM 83 OE1 GLU A 177 -7.292 2.010 1.895 1.00 0.00 O ATOM 84 OE2 GLU A 177 -9.108 2.443 3.203 1.00 0.00 O ATOM 0 H GLU A 177 -4.496 3.937 1.801 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.454 4.565 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -6.536 5.665 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -7.975 5.400 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -6.057 3.213 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -7.564 3.619 4.707 1.00 0.00 H new ATOM 92 N GLY A 178 -5.752 6.785 0.037 1.00 0.00 N ATOM 93 CA GLY A 178 -5.865 8.025 -0.757 1.00 0.00 C ATOM 94 C GLY A 178 -4.728 9.062 -0.646 1.00 0.00 C ATOM 95 O GLY A 178 -4.767 10.068 -1.356 1.00 0.00 O ATOM 0 H GLY A 178 -5.111 6.096 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.958 7.743 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.795 8.518 -0.476 1.00 0.00 H new ATOM 99 N ASN A 179 -3.706 8.829 0.199 1.00 0.00 N ATOM 100 CA ASN A 179 -2.522 9.700 0.277 1.00 0.00 C ATOM 101 C ASN A 179 -1.544 9.171 -0.758 1.00 0.00 C ATOM 102 O ASN A 179 -0.889 8.137 -0.585 1.00 0.00 O ATOM 103 CB ASN A 179 -1.873 9.583 1.670 1.00 0.00 C ATOM 104 CG ASN A 179 -0.957 10.747 2.007 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.189 10.813 1.581 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.440 11.710 2.738 1.00 0.00 N ATOM 0 H ASN A 179 -3.679 8.037 0.842 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.789 10.742 0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.657 9.517 2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.303 8.655 1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -0.863 12.522 2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.395 11.652 3.091 1.00 0.00 H new ATOM 113 N LEU A 180 -1.432 9.906 -1.841 1.00 0.00 N ATOM 114 CA LEU A 180 -0.643 9.431 -2.972 1.00 0.00 C ATOM 115 C LEU A 180 0.892 9.213 -2.782 1.00 0.00 C ATOM 116 O LEU A 180 1.494 8.383 -3.459 1.00 0.00 O ATOM 117 CB LEU A 180 -1.055 10.373 -4.115 1.00 0.00 C ATOM 118 CG LEU A 180 -2.237 9.939 -4.988 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.682 11.075 -5.921 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.959 8.672 -5.819 1.00 0.00 C ATOM 0 H LEU A 180 -1.866 10.820 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.871 8.384 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.293 11.345 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.191 10.516 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 180 -3.038 9.697 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.522 10.739 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -2.986 11.936 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.854 11.357 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.840 8.425 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.113 8.851 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.727 7.842 -5.151 1.00 0.00 H new ATOM 132 N ALA A 181 1.475 9.933 -1.825 1.00 0.00 N ATOM 133 CA ALA A 181 2.838 9.678 -1.317 1.00 0.00 C ATOM 134 C ALA A 181 2.938 8.331 -0.514 1.00 0.00 C ATOM 135 O ALA A 181 3.763 7.490 -0.860 1.00 0.00 O ATOM 136 CB ALA A 181 3.235 10.911 -0.497 1.00 0.00 C ATOM 0 H ALA A 181 1.015 10.721 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 181 3.541 9.538 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.239 10.774 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.217 11.794 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.532 11.043 0.325 1.00 0.00 H new ATOM 142 N CYS A 182 2.072 8.098 0.499 1.00 0.00 N ATOM 143 CA CYS A 182 1.959 6.791 1.221 1.00 0.00 C ATOM 144 C CYS A 182 1.712 5.560 0.300 1.00 0.00 C ATOM 145 O CYS A 182 2.440 4.566 0.327 1.00 0.00 O ATOM 146 CB CYS A 182 0.940 7.042 2.327 1.00 0.00 C ATOM 147 SG CYS A 182 0.908 5.697 3.521 1.00 0.00 S ATOM 0 H CYS A 182 1.426 8.807 0.846 1.00 0.00 H new ATOM 0 HA CYS A 182 2.907 6.480 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.179 7.975 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.051 7.163 1.888 1.00 0.00 H new ATOM 152 N LEU A 183 0.704 5.703 -0.551 1.00 0.00 N ATOM 153 CA LEU A 183 0.381 4.775 -1.646 1.00 0.00 C ATOM 154 C LEU A 183 1.513 4.504 -2.707 1.00 0.00 C ATOM 155 O LEU A 183 1.576 3.413 -3.271 1.00 0.00 O ATOM 156 CB LEU A 183 -0.823 5.490 -2.292 1.00 0.00 C ATOM 157 CG LEU A 183 -2.202 5.479 -1.626 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.185 6.267 -2.508 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.768 4.057 -1.461 1.00 0.00 C ATOM 0 H LEU A 183 0.062 6.494 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 183 0.209 3.768 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.541 6.535 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.947 5.067 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.085 5.922 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.171 6.266 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.835 7.294 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.246 5.800 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.747 4.108 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.866 3.588 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -2.093 3.466 -0.842 1.00 0.00 H new ATOM 171 N SER A 184 2.363 5.503 -3.000 1.00 0.00 N ATOM 172 CA SER A 184 3.580 5.320 -3.861 1.00 0.00 C ATOM 173 C SER A 184 4.719 4.467 -3.195 1.00 0.00 C ATOM 174 O SER A 184 5.379 3.681 -3.878 1.00 0.00 O ATOM 175 CB SER A 184 4.122 6.692 -4.329 1.00 0.00 C ATOM 176 OG SER A 184 3.185 7.377 -5.160 1.00 0.00 O ATOM 0 H SER A 184 2.242 6.457 -2.659 1.00 0.00 H new ATOM 0 HA SER A 184 3.251 4.742 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 184 4.354 7.307 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 184 5.054 6.547 -4.875 1.00 0.00 H new ATOM 0 HG SER A 184 2.329 7.460 -4.689 1.00 0.00 H new ATOM 182 N LEU A 185 4.964 4.630 -1.881 1.00 0.00 N ATOM 183 CA LEU A 185 5.904 3.755 -1.102 1.00 0.00 C ATOM 184 C LEU A 185 5.451 2.289 -0.825 1.00 0.00 C ATOM 185 O LEU A 185 6.273 1.425 -0.499 1.00 0.00 O ATOM 186 CB LEU A 185 6.203 4.431 0.275 1.00 0.00 C ATOM 187 CG LEU A 185 6.573 5.930 0.343 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.729 6.386 1.802 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.845 6.267 -0.449 1.00 0.00 C ATOM 0 H LEU A 185 4.527 5.361 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 185 6.775 3.665 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 185 5.324 4.287 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 185 7.019 3.876 0.737 1.00 0.00 H new ATOM 0 HG LEU A 185 5.749 6.471 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.990 7.444 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.790 6.231 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 185 7.518 5.807 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 185 8.055 7.333 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.685 5.699 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.700 6.008 -1.498 1.00 0.00 H new ATOM 201 N CYS A 186 4.147 2.039 -0.912 1.00 0.00 N ATOM 202 CA CYS A 186 3.548 0.801 -0.461 1.00 0.00 C ATOM 203 C CYS A 186 3.726 -0.590 -1.148 1.00 0.00 C ATOM 204 O CYS A 186 4.066 -0.789 -2.316 1.00 0.00 O ATOM 205 CB CYS A 186 2.044 1.151 -0.432 1.00 0.00 C ATOM 206 SG CYS A 186 1.257 0.888 -2.035 1.00 0.00 S ATOM 0 H CYS A 186 3.476 2.701 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 186 4.101 0.564 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.545 0.542 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 186 1.920 2.192 -0.134 1.00 0.00 H new ATOM 211 N HIS A 187 3.303 -1.548 -0.323 1.00 0.00 N ATOM 212 CA HIS A 187 3.143 -2.974 -0.667 1.00 0.00 C ATOM 213 C HIS A 187 1.627 -3.177 -1.036 1.00 0.00 C ATOM 214 O HIS A 187 0.729 -2.737 -0.302 1.00 0.00 O ATOM 215 CB HIS A 187 3.566 -3.848 0.552 1.00 0.00 C ATOM 216 CG HIS A 187 4.807 -3.453 1.351 1.00 0.00 C ATOM 217 ND1 HIS A 187 4.784 -2.490 2.352 1.00 0.00 N ATOM 218 CD2 HIS A 187 6.095 -3.650 0.877 1.00 0.00 C ATOM 219 CE1 HIS A 187 6.111 -2.159 2.359 1.00 0.00 C ATOM 220 NE2 HIS A 187 6.987 -2.824 1.540 1.00 0.00 N ATOM 0 H HIS A 187 3.050 -1.351 0.645 1.00 0.00 H new ATOM 0 HA HIS A 187 3.771 -3.271 -1.507 1.00 0.00 H new ATOM 0 HB2 HIS A 187 2.724 -3.877 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 187 3.717 -4.865 0.191 1.00 0.00 H new ATOM 0 HD2 HIS A 187 6.365 -4.350 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 187 6.469 -1.374 3.009 1.00 0.00 H new ATOM 0 HE2 HIS A 187 7.999 -2.736 1.447 1.00 0.00 H new ATOM 228 N ILE A 188 1.322 -3.887 -2.133 1.00 0.00 N ATOM 229 CA ILE A 188 -0.089 -4.021 -2.627 1.00 0.00 C ATOM 230 C ILE A 188 -0.737 -5.306 -2.007 1.00 0.00 C ATOM 231 O ILE A 188 -0.405 -6.445 -2.348 1.00 0.00 O ATOM 232 CB ILE A 188 -0.137 -3.939 -4.193 1.00 0.00 C ATOM 233 CG1 ILE A 188 0.407 -2.606 -4.802 1.00 0.00 C ATOM 234 CG2 ILE A 188 -1.536 -4.229 -4.801 1.00 0.00 C ATOM 235 CD1 ILE A 188 -0.330 -1.304 -4.433 1.00 0.00 C ATOM 0 H ILE A 188 2.013 -4.378 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 188 -0.701 -3.184 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 188 0.545 -4.740 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 188 1.449 -2.499 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 188 0.396 -2.703 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -1.484 -4.152 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -1.852 -5.234 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -2.256 -3.504 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 188 0.154 -0.460 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 188 -1.368 -1.368 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -0.298 -1.162 -3.353 1.00 0.00 H new ATOM 247 N GLU A 189 -1.677 -5.079 -1.078 1.00 0.00 N ATOM 248 CA GLU A 189 -2.365 -6.130 -0.299 1.00 0.00 C ATOM 249 C GLU A 189 -3.852 -5.764 -0.007 1.00 0.00 C ATOM 250 O GLU A 189 -4.277 -4.631 0.213 1.00 0.00 O ATOM 251 CB GLU A 189 -1.560 -6.479 0.994 1.00 0.00 C ATOM 252 CG GLU A 189 -0.949 -5.341 1.870 1.00 0.00 C ATOM 253 CD GLU A 189 -1.882 -4.216 2.311 1.00 0.00 C ATOM 254 OE1 GLU A 189 -1.836 -3.076 1.860 1.00 0.00 O ATOM 255 OE2 GLU A 189 -2.768 -4.618 3.260 1.00 0.00 O ATOM 0 H GLU A 189 -1.991 -4.138 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 189 -2.398 -7.033 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -2.219 -7.063 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -0.741 -7.134 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.524 -5.796 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 189 -0.123 -4.896 1.315 1.00 0.00 H new TER 263 GLU A 189