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 -49:sc= 0.776 USER MOD Single : A 179 ASN : amide:sc= 0 K(o=0,f=-1.4!) 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=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 5.308 -1.052 4.505 1.00 0.00 N ATOM 2 CA VAL A 171 4.622 -0.250 3.465 1.00 0.00 C ATOM 3 C VAL A 171 3.240 -0.870 3.015 1.00 0.00 C ATOM 4 O VAL A 171 3.147 -1.375 1.890 1.00 0.00 O ATOM 5 CB VAL A 171 5.670 0.007 2.328 1.00 0.00 C ATOM 6 CG1 VAL A 171 6.794 0.999 2.706 1.00 0.00 C ATOM 7 CG2 VAL A 171 6.308 -1.225 1.638 1.00 0.00 C ATOM 0 HA VAL A 171 4.299 0.717 3.852 1.00 0.00 H new ATOM 0 HB VAL A 171 5.007 0.455 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.474 1.118 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 171 6.357 1.965 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.345 0.615 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 171 7.011 -0.891 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 171 6.835 -1.825 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 171 5.527 -1.827 1.173 1.00 0.00 H new ATOM 17 N PRO A 172 2.117 -0.819 3.804 1.00 0.00 N ATOM 18 CA PRO A 172 0.806 -1.370 3.365 1.00 0.00 C ATOM 19 C PRO A 172 -0.175 -0.300 2.768 1.00 0.00 C ATOM 20 O PRO A 172 -0.675 0.583 3.478 1.00 0.00 O ATOM 21 CB PRO A 172 0.318 -2.015 4.678 1.00 0.00 C ATOM 22 CG PRO A 172 0.862 -1.130 5.803 1.00 0.00 C ATOM 23 CD PRO A 172 2.156 -0.525 5.256 1.00 0.00 C ATOM 0 HA PRO A 172 0.872 -2.063 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.770 -2.063 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.685 -3.037 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 172 0.147 -0.352 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 172 1.051 -1.713 6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 172 2.203 0.548 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 172 3.033 -0.969 5.728 1.00 0.00 H new ATOM 31 N CYS A 173 -0.505 -0.421 1.468 1.00 0.00 N ATOM 32 CA CYS A 173 -1.485 0.461 0.759 1.00 0.00 C ATOM 33 C CYS A 173 -2.922 0.564 1.390 1.00 0.00 C ATOM 34 O CYS A 173 -3.540 1.631 1.322 1.00 0.00 O ATOM 35 CB CYS A 173 -1.444 0.025 -0.712 1.00 0.00 C ATOM 36 SG CYS A 173 -0.469 1.074 -1.790 1.00 0.00 S ATOM 0 H CYS A 173 -0.101 -1.137 0.864 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.185 1.503 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -1.048 -0.989 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.465 -0.011 -1.092 1.00 0.00 H new ATOM 41 N SER A 174 -3.417 -0.507 2.043 1.00 0.00 N ATOM 42 CA SER A 174 -4.647 -0.460 2.897 1.00 0.00 C ATOM 43 C SER A 174 -4.715 0.604 4.044 1.00 0.00 C ATOM 44 O SER A 174 -5.798 0.918 4.537 1.00 0.00 O ATOM 45 CB SER A 174 -4.863 -1.875 3.480 1.00 0.00 C ATOM 46 OG SER A 174 -3.812 -2.268 4.372 1.00 0.00 O ATOM 0 H SER A 174 -2.986 -1.431 2.001 1.00 0.00 H new ATOM 0 HA SER A 174 -5.440 -0.128 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 174 -5.815 -1.904 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 174 -4.930 -2.594 2.664 1.00 0.00 H new ATOM 0 HG SER A 174 -3.994 -3.168 4.716 1.00 0.00 H new ATOM 52 N THR A 175 -3.558 1.123 4.463 1.00 0.00 N ATOM 53 CA THR A 175 -3.431 2.180 5.506 1.00 0.00 C ATOM 54 C THR A 175 -3.154 3.624 4.945 1.00 0.00 C ATOM 55 O THR A 175 -3.390 4.605 5.652 1.00 0.00 O ATOM 56 CB THR A 175 -2.373 1.722 6.556 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.051 1.783 6.023 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.596 0.296 7.102 1.00 0.00 C ATOM 0 H THR A 175 -2.658 0.824 4.088 1.00 0.00 H new ATOM 0 HA THR A 175 -4.402 2.288 5.989 1.00 0.00 H new ATOM 0 HB THR A 175 -2.496 2.422 7.382 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.030 1.342 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 175 -1.817 0.057 7.826 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.571 0.240 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.559 -0.418 6.280 1.00 0.00 H new ATOM 66 N CYS A 176 -2.655 3.773 3.696 1.00 0.00 N ATOM 67 CA CYS A 176 -2.485 5.080 3.018 1.00 0.00 C ATOM 68 C CYS A 176 -3.846 5.732 2.594 1.00 0.00 C ATOM 69 O CYS A 176 -4.028 6.940 2.745 1.00 0.00 O ATOM 70 CB CYS A 176 -1.504 4.743 1.875 1.00 0.00 C ATOM 71 SG CYS A 176 0.059 4.185 2.581 1.00 0.00 S ATOM 0 H CYS A 176 -2.356 2.982 3.125 1.00 0.00 H new ATOM 0 HA CYS A 176 -2.085 5.868 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.925 3.968 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.341 5.620 1.249 1.00 0.00 H new ATOM 76 N GLU A 177 -4.778 4.926 2.047 1.00 0.00 N ATOM 77 CA GLU A 177 -6.200 5.294 1.786 1.00 0.00 C ATOM 78 C GLU A 177 -6.490 6.589 0.969 1.00 0.00 C ATOM 79 O GLU A 177 -7.341 7.417 1.304 1.00 0.00 O ATOM 80 CB GLU A 177 -7.008 5.197 3.119 1.00 0.00 C ATOM 81 CG GLU A 177 -7.067 3.794 3.782 1.00 0.00 C ATOM 82 CD GLU A 177 -7.776 3.766 5.131 1.00 0.00 C ATOM 83 OE1 GLU A 177 -8.991 3.670 5.265 1.00 0.00 O ATOM 84 OE2 GLU A 177 -6.908 3.852 6.174 1.00 0.00 O ATOM 0 H GLU A 177 -4.564 3.970 1.763 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.555 4.553 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -6.575 5.896 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -8.028 5.529 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -7.573 3.106 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -6.050 3.423 3.912 1.00 0.00 H new ATOM 92 N GLY A 178 -5.790 6.699 -0.162 1.00 0.00 N ATOM 93 CA GLY A 178 -5.871 7.895 -1.025 1.00 0.00 C ATOM 94 C GLY A 178 -4.760 8.960 -0.879 1.00 0.00 C ATOM 95 O GLY A 178 -4.789 9.956 -1.603 1.00 0.00 O ATOM 0 H GLY A 178 -5.158 5.977 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.881 7.561 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.829 8.381 -0.837 1.00 0.00 H new ATOM 99 N ASN A 179 -3.769 8.760 0.011 1.00 0.00 N ATOM 100 CA ASN A 179 -2.602 9.651 0.127 1.00 0.00 C ATOM 101 C ASN A 179 -1.581 9.109 -0.856 1.00 0.00 C ATOM 102 O ASN A 179 -0.946 8.068 -0.649 1.00 0.00 O ATOM 103 CB ASN A 179 -2.001 9.567 1.543 1.00 0.00 C ATOM 104 CG ASN A 179 -1.105 10.745 1.887 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.057 10.808 1.505 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.625 11.720 2.575 1.00 0.00 N ATOM 0 H ASN A 179 -3.756 7.979 0.667 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.878 10.687 -0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.810 9.510 2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.427 8.645 1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -1.064 12.542 2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.593 11.662 2.890 1.00 0.00 H new ATOM 113 N LEU A 180 -1.408 9.845 -1.928 1.00 0.00 N ATOM 114 CA LEU A 180 -0.593 9.352 -3.028 1.00 0.00 C ATOM 115 C LEU A 180 0.937 9.134 -2.801 1.00 0.00 C ATOM 116 O LEU A 180 1.557 8.325 -3.485 1.00 0.00 O ATOM 117 CB LEU A 180 -0.975 10.278 -4.188 1.00 0.00 C ATOM 118 CG LEU A 180 -2.179 9.889 -5.054 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.544 11.024 -6.023 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.976 8.583 -5.844 1.00 0.00 C ATOM 0 H LEU A 180 -1.810 10.772 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.815 8.302 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.167 11.268 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.108 10.368 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 180 -2.998 9.715 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.401 10.725 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -2.795 11.920 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.696 11.233 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.868 8.372 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.119 8.689 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.797 7.762 -5.150 1.00 0.00 H new ATOM 132 N ALA A 181 1.501 9.837 -1.823 1.00 0.00 N ATOM 133 CA ALA A 181 2.859 9.574 -1.298 1.00 0.00 C ATOM 134 C ALA A 181 2.938 8.276 -0.425 1.00 0.00 C ATOM 135 O ALA A 181 3.808 7.444 -0.666 1.00 0.00 O ATOM 136 CB ALA A 181 3.313 10.802 -0.519 1.00 0.00 C ATOM 0 H ALA A 181 1.032 10.616 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 181 3.529 9.391 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.314 10.631 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.328 11.668 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.622 10.987 0.304 1.00 0.00 H new ATOM 142 N CYS A 182 2.029 8.088 0.559 1.00 0.00 N ATOM 143 CA CYS A 182 1.881 6.802 1.311 1.00 0.00 C ATOM 144 C CYS A 182 1.665 5.556 0.395 1.00 0.00 C ATOM 145 O CYS A 182 2.317 4.515 0.518 1.00 0.00 O ATOM 146 CB CYS A 182 0.815 7.079 2.362 1.00 0.00 C ATOM 147 SG CYS A 182 0.753 5.758 3.580 1.00 0.00 S ATOM 0 H CYS A 182 1.377 8.813 0.859 1.00 0.00 H new ATOM 0 HA CYS A 182 2.803 6.499 1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.026 8.026 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.158 7.181 1.881 1.00 0.00 H new ATOM 152 N LEU A 183 0.756 5.734 -0.555 1.00 0.00 N ATOM 153 CA LEU A 183 0.504 4.814 -1.667 1.00 0.00 C ATOM 154 C LEU A 183 1.679 4.563 -2.669 1.00 0.00 C ATOM 155 O LEU A 183 1.796 3.462 -3.206 1.00 0.00 O ATOM 156 CB LEU A 183 -0.726 5.437 -2.331 1.00 0.00 C ATOM 157 CG LEU A 183 -2.097 5.309 -1.672 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.132 5.989 -2.575 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.510 3.835 -1.475 1.00 0.00 C ATOM 0 H LEU A 183 0.149 6.553 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 183 0.365 3.797 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.524 6.501 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.806 5.010 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.048 5.779 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.120 5.908 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.873 7.041 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.140 5.502 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.492 3.792 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.551 3.336 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -1.780 3.334 -0.839 1.00 0.00 H new ATOM 171 N SER A 184 2.517 5.578 -2.914 1.00 0.00 N ATOM 172 CA SER A 184 3.798 5.408 -3.669 1.00 0.00 C ATOM 173 C SER A 184 4.912 4.607 -2.897 1.00 0.00 C ATOM 174 O SER A 184 5.830 4.089 -3.537 1.00 0.00 O ATOM 175 CB SER A 184 4.316 6.788 -4.129 1.00 0.00 C ATOM 176 OG SER A 184 5.468 6.646 -4.964 1.00 0.00 O ATOM 0 H SER A 184 2.344 6.535 -2.606 1.00 0.00 H new ATOM 0 HA SER A 184 3.565 4.788 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.530 7.314 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.564 7.396 -3.259 1.00 0.00 H new ATOM 0 HG SER A 184 5.779 7.532 -5.246 1.00 0.00 H new ATOM 182 N LEU A 185 4.871 4.547 -1.550 1.00 0.00 N ATOM 183 CA LEU A 185 5.747 3.639 -0.745 1.00 0.00 C ATOM 184 C LEU A 185 5.279 2.161 -0.832 1.00 0.00 C ATOM 185 O LEU A 185 6.098 1.253 -1.012 1.00 0.00 O ATOM 186 CB LEU A 185 5.857 4.136 0.728 1.00 0.00 C ATOM 187 CG LEU A 185 6.260 5.610 0.967 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.143 5.970 2.456 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.682 5.924 0.472 1.00 0.00 C ATOM 0 H LEU A 185 4.241 5.116 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 185 6.748 3.671 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 185 4.893 3.971 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 185 6.582 3.504 1.241 1.00 0.00 H new ATOM 0 HG LEU A 185 5.566 6.217 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.431 7.011 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.113 5.829 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 185 6.802 5.326 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 185 7.911 6.972 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.398 5.293 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.746 5.730 -0.599 1.00 0.00 H new ATOM 201 N CYS A 186 3.968 1.924 -0.698 1.00 0.00 N ATOM 202 CA CYS A 186 3.381 0.614 -0.879 1.00 0.00 C ATOM 203 C CYS A 186 3.149 0.135 -2.350 1.00 0.00 C ATOM 204 O CYS A 186 3.305 0.827 -3.359 1.00 0.00 O ATOM 205 CB CYS A 186 2.057 0.669 -0.103 1.00 0.00 C ATOM 206 SG CYS A 186 0.967 1.889 -0.709 1.00 0.00 S ATOM 0 H CYS A 186 3.291 2.648 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 186 4.090 -0.130 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.570 -0.305 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 186 2.266 0.865 0.949 1.00 0.00 H new ATOM 211 N HIS A 187 2.692 -1.111 -2.402 1.00 0.00 N ATOM 212 CA HIS A 187 2.325 -1.821 -3.643 1.00 0.00 C ATOM 213 C HIS A 187 0.776 -1.730 -3.816 1.00 0.00 C ATOM 214 O HIS A 187 0.004 -2.200 -2.971 1.00 0.00 O ATOM 215 CB HIS A 187 2.812 -3.290 -3.561 1.00 0.00 C ATOM 216 CG HIS A 187 4.220 -3.570 -3.047 1.00 0.00 C ATOM 217 ND1 HIS A 187 4.492 -3.713 -1.696 1.00 0.00 N ATOM 218 CD2 HIS A 187 5.347 -3.146 -3.740 1.00 0.00 C ATOM 219 CE1 HIS A 187 5.793 -3.294 -1.695 1.00 0.00 C ATOM 220 NE2 HIS A 187 6.414 -2.975 -2.875 1.00 0.00 N ATOM 0 H HIS A 187 2.559 -1.679 -1.565 1.00 0.00 H new ATOM 0 HA HIS A 187 2.802 -1.367 -4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 187 2.114 -3.834 -2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 187 2.734 -3.720 -4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 187 5.385 -2.974 -4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 187 6.333 -3.214 -0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 187 7.377 -2.695 -3.061 1.00 0.00 H new ATOM 228 N ILE A 188 0.311 -1.177 -4.941 1.00 0.00 N ATOM 229 CA ILE A 188 -1.152 -0.934 -5.171 1.00 0.00 C ATOM 230 C ILE A 188 -1.732 -2.169 -5.951 1.00 0.00 C ATOM 231 O ILE A 188 -1.847 -2.173 -7.179 1.00 0.00 O ATOM 232 CB ILE A 188 -1.389 0.463 -5.854 1.00 0.00 C ATOM 233 CG1 ILE A 188 -0.787 1.684 -5.087 1.00 0.00 C ATOM 234 CG2 ILE A 188 -2.895 0.743 -6.112 1.00 0.00 C ATOM 235 CD1 ILE A 188 -0.613 2.967 -5.921 1.00 0.00 C ATOM 0 H ILE A 188 0.908 -0.884 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 188 -1.702 -0.862 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 188 -0.850 0.372 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -1.429 1.909 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 188 0.185 1.397 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -3.008 1.719 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -3.301 -0.027 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -3.434 0.734 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 188 -0.189 3.753 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 188 0.056 2.769 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -1.583 3.289 -6.300 1.00 0.00 H new ATOM 247 N GLU A 189 -2.082 -3.225 -5.196 1.00 0.00 N ATOM 248 CA GLU A 189 -2.559 -4.515 -5.745 1.00 0.00 C ATOM 249 C GLU A 189 -4.064 -4.760 -5.444 1.00 0.00 C ATOM 250 O GLU A 189 -4.922 -4.893 -6.313 1.00 0.00 O ATOM 251 CB GLU A 189 -1.640 -5.656 -5.221 1.00 0.00 C ATOM 252 CG GLU A 189 -0.184 -5.635 -5.764 1.00 0.00 C ATOM 253 CD GLU A 189 0.710 -6.729 -5.192 1.00 0.00 C ATOM 254 OE1 GLU A 189 0.815 -7.850 -5.674 1.00 0.00 O ATOM 255 OE2 GLU A 189 1.385 -6.319 -4.084 1.00 0.00 O ATOM 0 H GLU A 189 -2.043 -3.211 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 189 -2.492 -4.491 -6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -1.606 -5.602 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.093 -6.613 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.211 -5.733 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.261 -4.665 -5.543 1.00 0.00 H new TER 263 GLU A 189