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 180:sc= 0 USER MOD Single : A 175 THR OG1 : rot -38:sc= 1.02 USER MOD Single : A 179 ASN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 5.133 0.041 4.953 1.00 0.00 N ATOM 2 CA VAL A 171 4.444 0.747 3.846 1.00 0.00 C ATOM 3 C VAL A 171 3.275 -0.120 3.240 1.00 0.00 C ATOM 4 O VAL A 171 3.457 -0.744 2.190 1.00 0.00 O ATOM 5 CB VAL A 171 5.554 1.291 2.882 1.00 0.00 C ATOM 6 CG1 VAL A 171 6.412 2.421 3.504 1.00 0.00 C ATOM 7 CG2 VAL A 171 6.501 0.265 2.219 1.00 0.00 C ATOM 0 HA VAL A 171 3.887 1.625 4.173 1.00 0.00 H new ATOM 0 HB VAL A 171 4.927 1.676 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.160 2.750 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.770 3.261 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.911 2.049 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 171 7.214 0.787 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 171 7.039 -0.285 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 171 5.918 -0.432 1.617 1.00 0.00 H new ATOM 17 N PRO A 172 2.044 -0.190 3.841 1.00 0.00 N ATOM 18 CA PRO A 172 0.893 -0.933 3.258 1.00 0.00 C ATOM 19 C PRO A 172 -0.181 0.019 2.628 1.00 0.00 C ATOM 20 O PRO A 172 -0.747 0.878 3.316 1.00 0.00 O ATOM 21 CB PRO A 172 0.378 -1.705 4.492 1.00 0.00 C ATOM 22 CG PRO A 172 0.902 -0.980 5.742 1.00 0.00 C ATOM 23 CD PRO A 172 1.794 0.166 5.255 1.00 0.00 C ATOM 0 HA PRO A 172 1.154 -1.578 2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.711 -1.738 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.728 -2.737 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 172 0.075 -0.597 6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 172 1.465 -1.664 6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 172 1.297 1.132 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 172 2.720 0.228 5.826 1.00 0.00 H new ATOM 31 N CYS A 173 -0.517 -0.166 1.338 1.00 0.00 N ATOM 32 CA CYS A 173 -1.558 0.636 0.631 1.00 0.00 C ATOM 33 C CYS A 173 -2.999 0.633 1.253 1.00 0.00 C ATOM 34 O CYS A 173 -3.677 1.665 1.216 1.00 0.00 O ATOM 35 CB CYS A 173 -1.471 0.266 -0.849 1.00 0.00 C ATOM 36 SG CYS A 173 -0.617 1.533 -1.776 1.00 0.00 S ATOM 0 H CYS A 173 -0.080 -0.874 0.748 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.336 1.695 0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -0.950 -0.685 -0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.474 0.128 -1.253 1.00 0.00 H new ATOM 41 N SER A 174 -3.432 -0.485 1.866 1.00 0.00 N ATOM 42 CA SER A 174 -4.660 -0.530 2.722 1.00 0.00 C ATOM 43 C SER A 174 -4.765 0.474 3.922 1.00 0.00 C ATOM 44 O SER A 174 -5.856 0.718 4.439 1.00 0.00 O ATOM 45 CB SER A 174 -4.821 -1.980 3.234 1.00 0.00 C ATOM 46 OG SER A 174 -3.712 -2.403 4.039 1.00 0.00 O ATOM 0 H SER A 174 -2.953 -1.383 1.791 1.00 0.00 H new ATOM 0 HA SER A 174 -5.467 -0.197 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 174 -5.739 -2.057 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 174 -4.926 -2.653 2.383 1.00 0.00 H new ATOM 0 HG SER A 174 -3.859 -3.324 4.341 1.00 0.00 H new ATOM 52 N THR A 175 -3.631 1.038 4.344 1.00 0.00 N ATOM 53 CA THR A 175 -3.534 2.053 5.431 1.00 0.00 C ATOM 54 C THR A 175 -3.245 3.516 4.926 1.00 0.00 C ATOM 55 O THR A 175 -3.510 4.471 5.659 1.00 0.00 O ATOM 56 CB THR A 175 -2.505 1.562 6.495 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.174 1.596 5.987 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.770 0.134 7.016 1.00 0.00 C ATOM 0 H THR A 175 -2.724 0.805 3.938 1.00 0.00 H new ATOM 0 HA THR A 175 -4.517 2.137 5.895 1.00 0.00 H new ATOM 0 HB THR A 175 -2.626 2.257 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.176 1.321 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.011 -0.132 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.755 0.093 7.480 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.731 -0.570 6.184 1.00 0.00 H new ATOM 66 N CYS A 176 -2.707 3.712 3.700 1.00 0.00 N ATOM 67 CA CYS A 176 -2.531 5.044 3.071 1.00 0.00 C ATOM 68 C CYS A 176 -3.892 5.705 2.651 1.00 0.00 C ATOM 69 O CYS A 176 -4.081 6.906 2.846 1.00 0.00 O ATOM 70 CB CYS A 176 -1.540 4.752 1.922 1.00 0.00 C ATOM 71 SG CYS A 176 0.024 4.166 2.599 1.00 0.00 S ATOM 0 H CYS A 176 -2.380 2.944 3.114 1.00 0.00 H new ATOM 0 HA CYS A 176 -2.137 5.806 3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.959 4.003 1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.376 5.654 1.332 1.00 0.00 H new ATOM 76 N GLU A 177 -4.813 4.916 2.060 1.00 0.00 N ATOM 77 CA GLU A 177 -6.228 5.289 1.776 1.00 0.00 C ATOM 78 C GLU A 177 -6.519 6.630 1.042 1.00 0.00 C ATOM 79 O GLU A 177 -7.390 7.422 1.410 1.00 0.00 O ATOM 80 CB GLU A 177 -7.082 5.077 3.069 1.00 0.00 C ATOM 81 CG GLU A 177 -7.217 3.624 3.598 1.00 0.00 C ATOM 82 CD GLU A 177 -8.004 2.669 2.702 1.00 0.00 C ATOM 83 OE1 GLU A 177 -9.216 2.503 2.774 1.00 0.00 O ATOM 84 OE2 GLU A 177 -7.213 2.027 1.801 1.00 0.00 O ATOM 0 H GLU A 177 -4.592 3.968 1.754 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.540 4.602 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -6.651 5.687 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -8.084 5.462 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -6.217 3.215 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -7.697 3.655 4.576 1.00 0.00 H new ATOM 92 N GLY A 178 -5.797 6.817 -0.062 1.00 0.00 N ATOM 93 CA GLY A 178 -5.882 8.055 -0.861 1.00 0.00 C ATOM 94 C GLY A 178 -4.743 9.087 -0.717 1.00 0.00 C ATOM 95 O GLY A 178 -4.766 10.100 -1.418 1.00 0.00 O ATOM 0 H GLY A 178 -5.142 6.128 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.945 7.771 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.818 8.553 -0.608 1.00 0.00 H new ATOM 99 N ASN A 179 -3.739 8.844 0.145 1.00 0.00 N ATOM 100 CA ASN A 179 -2.550 9.706 0.248 1.00 0.00 C ATOM 101 C ASN A 179 -1.556 9.161 -0.764 1.00 0.00 C ATOM 102 O ASN A 179 -0.924 8.114 -0.577 1.00 0.00 O ATOM 103 CB ASN A 179 -1.924 9.597 1.651 1.00 0.00 C ATOM 104 CG ASN A 179 -1.023 10.772 1.997 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.124 10.853 1.576 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.524 11.726 2.729 1.00 0.00 N ATOM 0 H ASN A 179 -3.730 8.050 0.785 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.810 10.749 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.720 9.527 2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.347 8.674 1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -0.960 12.546 2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.480 11.653 3.077 1.00 0.00 H new ATOM 113 N LEU A 180 -1.407 9.898 -1.840 1.00 0.00 N ATOM 114 CA LEU A 180 -0.602 9.416 -2.955 1.00 0.00 C ATOM 115 C LEU A 180 0.926 9.188 -2.735 1.00 0.00 C ATOM 116 O LEU A 180 1.533 8.361 -3.407 1.00 0.00 O ATOM 117 CB LEU A 180 -0.985 10.361 -4.103 1.00 0.00 C ATOM 118 CG LEU A 180 -2.179 9.965 -4.978 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.590 11.112 -5.914 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.945 8.687 -5.804 1.00 0.00 C ATOM 0 H LEU A 180 -1.822 10.820 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.834 8.371 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.192 11.342 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.116 10.472 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 180 -2.987 9.752 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.439 10.799 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -2.869 11.983 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.754 11.368 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.833 8.470 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.092 8.833 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.744 7.852 -5.133 1.00 0.00 H new ATOM 132 N ALA A 181 1.500 9.894 -1.763 1.00 0.00 N ATOM 133 CA ALA A 181 2.857 9.618 -1.243 1.00 0.00 C ATOM 134 C ALA A 181 2.929 8.275 -0.431 1.00 0.00 C ATOM 135 O ALA A 181 3.749 7.421 -0.757 1.00 0.00 O ATOM 136 CB ALA A 181 3.285 10.841 -0.429 1.00 0.00 C ATOM 0 H ALA A 181 1.041 10.681 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 181 3.555 9.463 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.285 10.678 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.292 11.721 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.584 10.996 0.391 1.00 0.00 H new ATOM 142 N CYS A 182 2.048 8.063 0.572 1.00 0.00 N ATOM 143 CA CYS A 182 1.904 6.762 1.301 1.00 0.00 C ATOM 144 C CYS A 182 1.664 5.520 0.390 1.00 0.00 C ATOM 145 O CYS A 182 2.337 4.490 0.482 1.00 0.00 O ATOM 146 CB CYS A 182 0.858 7.043 2.374 1.00 0.00 C ATOM 147 SG CYS A 182 0.773 5.718 3.587 1.00 0.00 S ATOM 0 H CYS A 182 1.410 8.785 0.907 1.00 0.00 H new ATOM 0 HA CYS A 182 2.838 6.441 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.095 7.981 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.118 7.170 1.906 1.00 0.00 H new ATOM 152 N LEU A 183 0.704 5.686 -0.511 1.00 0.00 N ATOM 153 CA LEU A 183 0.399 4.757 -1.606 1.00 0.00 C ATOM 154 C LEU A 183 1.539 4.504 -2.660 1.00 0.00 C ATOM 155 O LEU A 183 1.619 3.413 -3.222 1.00 0.00 O ATOM 156 CB LEU A 183 -0.802 5.463 -2.270 1.00 0.00 C ATOM 157 CG LEU A 183 -2.190 5.446 -1.628 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.163 6.229 -2.527 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.753 4.025 -1.458 1.00 0.00 C ATOM 0 H LEU A 183 0.090 6.500 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 183 0.232 3.751 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.524 6.509 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.909 5.037 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.089 5.893 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.157 6.224 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.817 7.257 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.206 5.761 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.740 4.077 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.833 3.546 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -2.086 3.443 -0.822 1.00 0.00 H new ATOM 171 N SER A 184 2.374 5.514 -2.959 1.00 0.00 N ATOM 172 CA SER A 184 3.583 5.343 -3.827 1.00 0.00 C ATOM 173 C SER A 184 4.759 4.539 -3.168 1.00 0.00 C ATOM 174 O SER A 184 5.536 3.912 -3.891 1.00 0.00 O ATOM 175 CB SER A 184 4.062 6.719 -4.336 1.00 0.00 C ATOM 176 OG SER A 184 5.146 6.576 -5.260 1.00 0.00 O ATOM 0 H SER A 184 2.245 6.466 -2.617 1.00 0.00 H new ATOM 0 HA SER A 184 3.266 4.724 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.235 7.240 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.377 7.333 -3.492 1.00 0.00 H new ATOM 0 HG SER A 184 5.431 7.461 -5.570 1.00 0.00 H new ATOM 182 N LEU A 185 4.931 4.600 -1.835 1.00 0.00 N ATOM 183 CA LEU A 185 5.893 3.720 -1.098 1.00 0.00 C ATOM 184 C LEU A 185 5.469 2.227 -0.977 1.00 0.00 C ATOM 185 O LEU A 185 6.319 1.333 -0.930 1.00 0.00 O ATOM 186 CB LEU A 185 6.176 4.302 0.321 1.00 0.00 C ATOM 187 CG LEU A 185 6.517 5.803 0.482 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.676 6.164 1.968 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.782 6.210 -0.288 1.00 0.00 C ATOM 0 H LEU A 185 4.421 5.247 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 185 6.796 3.718 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 185 5.299 4.100 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 185 7.002 3.733 0.747 1.00 0.00 H new ATOM 0 HG LEU A 185 5.682 6.358 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.916 7.223 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.745 5.955 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 185 7.480 5.570 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 185 7.973 7.273 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.632 5.634 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.641 6.012 -1.351 1.00 0.00 H new ATOM 201 N CYS A 186 4.160 1.977 -0.891 1.00 0.00 N ATOM 202 CA CYS A 186 3.616 0.666 -0.632 1.00 0.00 C ATOM 203 C CYS A 186 3.752 -0.554 -1.602 1.00 0.00 C ATOM 204 O CYS A 186 4.063 -0.479 -2.793 1.00 0.00 O ATOM 205 CB CYS A 186 2.112 0.984 -0.427 1.00 0.00 C ATOM 206 SG CYS A 186 1.254 0.918 -2.012 1.00 0.00 S ATOM 0 H CYS A 186 3.448 2.699 -1.003 1.00 0.00 H new ATOM 0 HA CYS A 186 4.228 0.262 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.670 0.268 0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 186 1.997 1.972 0.019 1.00 0.00 H new ATOM 211 N HIS A 187 3.309 -1.679 -1.029 1.00 0.00 N ATOM 212 CA HIS A 187 3.142 -2.965 -1.747 1.00 0.00 C ATOM 213 C HIS A 187 1.649 -3.034 -2.226 1.00 0.00 C ATOM 214 O HIS A 187 0.713 -3.055 -1.417 1.00 0.00 O ATOM 215 CB HIS A 187 3.477 -4.176 -0.832 1.00 0.00 C ATOM 216 CG HIS A 187 4.673 -4.071 0.114 1.00 0.00 C ATOM 217 ND1 HIS A 187 5.919 -3.671 -0.330 1.00 0.00 N ATOM 218 CD2 HIS A 187 4.540 -3.844 1.496 1.00 0.00 C ATOM 219 CE1 HIS A 187 6.409 -3.161 0.837 1.00 0.00 C ATOM 220 NE2 HIS A 187 5.695 -3.279 2.000 1.00 0.00 N ATOM 0 H HIS A 187 3.051 -1.731 -0.043 1.00 0.00 H new ATOM 0 HA HIS A 187 3.828 -3.014 -2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 187 2.595 -4.388 -0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 187 3.639 -5.041 -1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 187 3.661 -4.078 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 187 7.366 -2.661 0.844 1.00 0.00 H new ATOM 0 HE2 HIS A 187 5.943 -3.025 2.956 1.00 0.00 H new ATOM 228 N ILE A 188 1.438 -3.064 -3.546 1.00 0.00 N ATOM 229 CA ILE A 188 0.062 -3.018 -4.152 1.00 0.00 C ATOM 230 C ILE A 188 -0.449 -4.456 -4.527 1.00 0.00 C ATOM 231 O ILE A 188 -1.477 -4.891 -4.001 1.00 0.00 O ATOM 232 CB ILE A 188 0.000 -1.961 -5.319 1.00 0.00 C ATOM 233 CG1 ILE A 188 0.372 -0.512 -4.874 1.00 0.00 C ATOM 234 CG2 ILE A 188 -1.387 -1.925 -6.022 1.00 0.00 C ATOM 235 CD1 ILE A 188 0.674 0.493 -6.001 1.00 0.00 C ATOM 0 H ILE A 188 2.190 -3.120 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 188 -0.650 -2.663 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 188 0.755 -2.306 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -0.448 -0.117 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 188 1.244 -0.568 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -1.373 -1.180 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -1.605 -2.905 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -2.157 -1.665 -5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 188 0.919 1.463 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 188 1.518 0.136 -6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -0.201 0.593 -6.643 1.00 0.00 H new ATOM 247 N GLU A 189 0.220 -5.177 -5.449 1.00 0.00 N ATOM 248 CA GLU A 189 -0.213 -6.521 -5.912 1.00 0.00 C ATOM 249 C GLU A 189 0.981 -7.407 -6.373 1.00 0.00 C ATOM 250 O GLU A 189 1.960 -6.999 -6.996 1.00 0.00 O ATOM 251 CB GLU A 189 -1.333 -6.403 -6.989 1.00 0.00 C ATOM 252 CG GLU A 189 -0.956 -5.711 -8.330 1.00 0.00 C ATOM 253 CD GLU A 189 -2.130 -5.514 -9.282 1.00 0.00 C ATOM 254 OE1 GLU A 189 -2.783 -4.480 -9.358 1.00 0.00 O ATOM 255 OE2 GLU A 189 -2.370 -6.613 -10.045 1.00 0.00 O ATOM 0 H GLU A 189 1.076 -4.849 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.643 -7.041 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -1.692 -7.407 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.168 -5.858 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.512 -4.740 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 189 -0.192 -6.306 -8.831 1.00 0.00 H new TER 263 GLU A 189