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 -32:sc= 1.24 USER MOD Single : A 179 ASN : amide:sc= 0 K(o=0,f=-1.3!) 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=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 3.923 1.979 5.577 1.00 0.00 N ATOM 2 CA VAL A 171 3.664 2.087 4.121 1.00 0.00 C ATOM 3 C VAL A 171 2.530 1.268 3.395 1.00 0.00 C ATOM 4 O VAL A 171 2.176 1.743 2.315 1.00 0.00 O ATOM 5 CB VAL A 171 5.036 1.998 3.368 1.00 0.00 C ATOM 6 CG1 VAL A 171 6.119 3.017 3.793 1.00 0.00 C ATOM 7 CG2 VAL A 171 5.665 0.590 3.291 1.00 0.00 C ATOM 0 HA VAL A 171 3.170 3.057 4.060 1.00 0.00 H new ATOM 0 HB VAL A 171 4.706 2.276 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.021 2.857 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.751 4.029 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.349 2.884 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 171 6.610 0.643 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 171 5.844 0.216 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 171 4.985 -0.084 2.769 1.00 0.00 H new ATOM 17 N PRO A 172 1.928 0.124 3.840 1.00 0.00 N ATOM 18 CA PRO A 172 0.891 -0.632 3.074 1.00 0.00 C ATOM 19 C PRO A 172 -0.291 0.188 2.467 1.00 0.00 C ATOM 20 O PRO A 172 -0.891 1.022 3.150 1.00 0.00 O ATOM 21 CB PRO A 172 0.410 -1.659 4.121 1.00 0.00 C ATOM 22 CG PRO A 172 1.596 -1.852 5.065 1.00 0.00 C ATOM 23 CD PRO A 172 2.228 -0.464 5.143 1.00 0.00 C ATOM 0 HA PRO A 172 1.317 -1.048 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.466 -1.294 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.125 -2.599 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 172 1.274 -2.201 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 172 2.299 -2.591 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 172 1.803 0.125 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 172 3.302 -0.522 5.319 1.00 0.00 H new ATOM 31 N CYS A 173 -0.646 -0.073 1.199 1.00 0.00 N ATOM 32 CA CYS A 173 -1.680 0.695 0.456 1.00 0.00 C ATOM 33 C CYS A 173 -3.112 0.746 1.095 1.00 0.00 C ATOM 34 O CYS A 173 -3.753 1.801 1.060 1.00 0.00 O ATOM 35 CB CYS A 173 -1.579 0.249 -1.004 1.00 0.00 C ATOM 36 SG CYS A 173 -0.675 1.440 -1.999 1.00 0.00 S ATOM 0 H CYS A 173 -0.227 -0.824 0.651 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.472 1.763 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -1.083 -0.720 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.580 0.116 -1.415 1.00 0.00 H new ATOM 41 N SER A 174 -3.577 -0.348 1.728 1.00 0.00 N ATOM 42 CA SER A 174 -4.791 -0.321 2.601 1.00 0.00 C ATOM 43 C SER A 174 -4.789 0.705 3.788 1.00 0.00 C ATOM 44 O SER A 174 -5.836 1.205 4.197 1.00 0.00 O ATOM 45 CB SER A 174 -5.060 -1.757 3.108 1.00 0.00 C ATOM 46 OG SER A 174 -4.027 -2.234 3.978 1.00 0.00 O ATOM 0 H SER A 174 -3.138 -1.266 1.658 1.00 0.00 H new ATOM 0 HA SER A 174 -5.598 0.049 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 174 -6.014 -1.780 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 174 -5.151 -2.429 2.255 1.00 0.00 H new ATOM 0 HG SER A 174 -4.242 -3.143 4.273 1.00 0.00 H new ATOM 52 N THR A 175 -3.599 0.995 4.318 1.00 0.00 N ATOM 53 CA THR A 175 -3.371 1.977 5.417 1.00 0.00 C ATOM 54 C THR A 175 -3.048 3.437 4.929 1.00 0.00 C ATOM 55 O THR A 175 -3.287 4.392 5.670 1.00 0.00 O ATOM 56 CB THR A 175 -2.317 1.377 6.400 1.00 0.00 C ATOM 57 OG1 THR A 175 -0.998 1.379 5.853 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.630 -0.070 6.839 1.00 0.00 C ATOM 0 H THR A 175 -2.738 0.552 3.998 1.00 0.00 H new ATOM 0 HA THR A 175 -4.308 2.125 5.954 1.00 0.00 H new ATOM 0 HB THR A 175 -2.372 2.034 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.047 1.260 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 175 -1.854 -0.419 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.596 -0.096 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.661 -0.717 5.963 1.00 0.00 H new ATOM 66 N CYS A 176 -2.514 3.626 3.700 1.00 0.00 N ATOM 67 CA CYS A 176 -2.354 4.953 3.059 1.00 0.00 C ATOM 68 C CYS A 176 -3.722 5.607 2.656 1.00 0.00 C ATOM 69 O CYS A 176 -3.891 6.818 2.795 1.00 0.00 O ATOM 70 CB CYS A 176 -1.404 4.657 1.883 1.00 0.00 C ATOM 71 SG CYS A 176 0.180 4.070 2.513 1.00 0.00 S ATOM 0 H CYS A 176 -2.179 2.856 3.121 1.00 0.00 H new ATOM 0 HA CYS A 176 -1.943 5.712 3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.845 3.907 1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.258 5.557 1.286 1.00 0.00 H new ATOM 76 N GLU A 177 -4.674 4.795 2.148 1.00 0.00 N ATOM 77 CA GLU A 177 -6.098 5.156 1.914 1.00 0.00 C ATOM 78 C GLU A 177 -6.450 6.471 1.163 1.00 0.00 C ATOM 79 O GLU A 177 -7.339 7.243 1.535 1.00 0.00 O ATOM 80 CB GLU A 177 -6.893 4.925 3.230 1.00 0.00 C ATOM 81 CG GLU A 177 -6.636 5.880 4.431 1.00 0.00 C ATOM 82 CD GLU A 177 -7.508 5.652 5.664 1.00 0.00 C ATOM 83 OE1 GLU A 177 -8.431 4.847 5.740 1.00 0.00 O ATOM 84 OE2 GLU A 177 -7.145 6.463 6.693 1.00 0.00 O ATOM 0 H GLU A 177 -4.469 3.833 1.878 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.428 4.473 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -7.955 4.975 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -6.690 3.908 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -5.591 5.787 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -6.781 6.906 4.092 1.00 0.00 H new ATOM 92 N GLY A 178 -5.764 6.657 0.037 1.00 0.00 N ATOM 93 CA GLY A 178 -5.888 7.889 -0.765 1.00 0.00 C ATOM 94 C GLY A 178 -4.758 8.935 -0.637 1.00 0.00 C ATOM 95 O GLY A 178 -4.796 9.941 -1.347 1.00 0.00 O ATOM 0 H GLY A 178 -5.113 5.973 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.965 7.602 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.827 8.373 -0.497 1.00 0.00 H new ATOM 99 N ASN A 179 -3.744 8.712 0.222 1.00 0.00 N ATOM 100 CA ASN A 179 -2.569 9.598 0.316 1.00 0.00 C ATOM 101 C ASN A 179 -1.576 9.102 -0.722 1.00 0.00 C ATOM 102 O ASN A 179 -0.906 8.076 -0.560 1.00 0.00 O ATOM 103 CB ASN A 179 -1.917 9.483 1.708 1.00 0.00 C ATOM 104 CG ASN A 179 -1.029 10.665 2.061 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.120 10.756 1.648 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.536 11.613 2.798 1.00 0.00 N ATOM 0 H ASN A 179 -3.717 7.920 0.864 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.859 10.636 0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.700 9.389 2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.325 8.569 1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -0.975 12.432 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.493 11.535 3.141 1.00 0.00 H new ATOM 113 N LEU A 180 -1.463 9.859 -1.790 1.00 0.00 N ATOM 114 CA LEU A 180 -0.661 9.414 -2.924 1.00 0.00 C ATOM 115 C LEU A 180 0.875 9.207 -2.736 1.00 0.00 C ATOM 116 O LEU A 180 1.492 8.402 -3.429 1.00 0.00 O ATOM 117 CB LEU A 180 -1.079 10.372 -4.051 1.00 0.00 C ATOM 118 CG LEU A 180 -2.253 9.941 -4.938 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.708 11.088 -5.853 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.958 8.692 -5.788 1.00 0.00 C ATOM 0 H LEU A 180 -1.905 10.771 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.874 8.367 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.330 11.333 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.213 10.537 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 180 -3.055 9.679 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.542 10.752 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -3.025 11.935 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.881 11.392 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.833 8.446 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.111 8.890 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.721 7.854 -5.133 1.00 0.00 H new ATOM 132 N ALA A 181 1.442 9.908 -1.758 1.00 0.00 N ATOM 133 CA ALA A 181 2.808 9.655 -1.255 1.00 0.00 C ATOM 134 C ALA A 181 2.919 8.299 -0.471 1.00 0.00 C ATOM 135 O ALA A 181 3.757 7.472 -0.819 1.00 0.00 O ATOM 136 CB ALA A 181 3.202 10.874 -0.415 1.00 0.00 C ATOM 0 H ALA A 181 0.970 10.677 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 181 3.507 9.534 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.208 10.734 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.178 11.768 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.500 10.989 0.411 1.00 0.00 H new ATOM 142 N CYS A 182 2.051 8.047 0.534 1.00 0.00 N ATOM 143 CA CYS A 182 1.952 6.733 1.242 1.00 0.00 C ATOM 144 C CYS A 182 1.704 5.508 0.311 1.00 0.00 C ATOM 145 O CYS A 182 2.419 4.504 0.342 1.00 0.00 O ATOM 146 CB CYS A 182 0.942 6.967 2.360 1.00 0.00 C ATOM 147 SG CYS A 182 0.930 5.602 3.530 1.00 0.00 S ATOM 0 H CYS A 182 1.394 8.745 0.884 1.00 0.00 H new ATOM 0 HA CYS A 182 2.906 6.422 1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.183 7.893 2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.053 7.091 1.933 1.00 0.00 H new ATOM 152 N LEU A 183 0.699 5.659 -0.544 1.00 0.00 N ATOM 153 CA LEU A 183 0.373 4.739 -1.646 1.00 0.00 C ATOM 154 C LEU A 183 1.517 4.472 -2.693 1.00 0.00 C ATOM 155 O LEU A 183 1.605 3.372 -3.238 1.00 0.00 O ATOM 156 CB LEU A 183 -0.825 5.463 -2.295 1.00 0.00 C ATOM 157 CG LEU A 183 -2.210 5.440 -1.642 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.186 6.234 -2.528 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.777 4.018 -1.499 1.00 0.00 C ATOM 0 H LEU A 183 0.060 6.453 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 183 0.185 3.730 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.543 6.510 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.939 5.054 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.102 5.871 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.177 6.226 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.838 7.263 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.235 5.776 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.760 4.064 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.866 3.561 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -2.108 3.420 -0.881 1.00 0.00 H new ATOM 171 N SER A 184 2.355 5.480 -2.989 1.00 0.00 N ATOM 172 CA SER A 184 3.583 5.302 -3.829 1.00 0.00 C ATOM 173 C SER A 184 4.742 4.495 -3.135 1.00 0.00 C ATOM 174 O SER A 184 5.507 3.821 -3.829 1.00 0.00 O ATOM 175 CB SER A 184 4.069 6.681 -4.324 1.00 0.00 C ATOM 176 OG SER A 184 5.163 6.540 -5.236 1.00 0.00 O ATOM 0 H SER A 184 2.215 6.437 -2.664 1.00 0.00 H new ATOM 0 HA SER A 184 3.294 4.680 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.248 7.206 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.376 7.290 -3.473 1.00 0.00 H new ATOM 0 HG SER A 184 5.454 7.426 -5.538 1.00 0.00 H new ATOM 182 N LEU A 185 4.910 4.599 -1.805 1.00 0.00 N ATOM 183 CA LEU A 185 5.855 3.731 -1.020 1.00 0.00 C ATOM 184 C LEU A 185 5.407 2.259 -0.774 1.00 0.00 C ATOM 185 O LEU A 185 6.229 1.396 -0.445 1.00 0.00 O ATOM 186 CB LEU A 185 6.153 4.395 0.359 1.00 0.00 C ATOM 187 CG LEU A 185 6.539 5.890 0.401 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.655 6.390 1.848 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.842 6.191 -0.357 1.00 0.00 C ATOM 0 H LEU A 185 4.407 5.276 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 185 6.738 3.660 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 185 5.270 4.265 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 185 6.961 3.833 0.827 1.00 0.00 H new ATOM 0 HG LEU A 185 5.734 6.424 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.928 7.445 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.698 6.263 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 185 7.421 5.817 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 185 8.062 7.257 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.660 5.624 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.728 5.906 -1.403 1.00 0.00 H new ATOM 201 N CYS A 186 4.109 1.994 -0.909 1.00 0.00 N ATOM 202 CA CYS A 186 3.519 0.723 -0.560 1.00 0.00 C ATOM 203 C CYS A 186 3.745 -0.569 -1.400 1.00 0.00 C ATOM 204 O CYS A 186 4.102 -0.603 -2.580 1.00 0.00 O ATOM 205 CB CYS A 186 2.000 1.028 -0.545 1.00 0.00 C ATOM 206 SG CYS A 186 1.205 0.785 -2.147 1.00 0.00 S ATOM 0 H CYS A 186 3.437 2.671 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 186 4.027 0.428 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.516 0.389 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 186 1.847 2.058 -0.224 1.00 0.00 H new ATOM 211 N HIS A 187 3.342 -1.643 -0.723 1.00 0.00 N ATOM 212 CA HIS A 187 3.227 -2.996 -1.302 1.00 0.00 C ATOM 213 C HIS A 187 1.721 -3.181 -1.696 1.00 0.00 C ATOM 214 O HIS A 187 0.808 -3.108 -0.865 1.00 0.00 O ATOM 215 CB HIS A 187 3.676 -4.078 -0.296 1.00 0.00 C ATOM 216 CG HIS A 187 4.939 -3.835 0.518 1.00 0.00 C ATOM 217 ND1 HIS A 187 4.958 -3.051 1.660 1.00 0.00 N ATOM 218 CD2 HIS A 187 6.211 -3.974 -0.019 1.00 0.00 C ATOM 219 CE1 HIS A 187 6.290 -2.746 1.681 1.00 0.00 C ATOM 220 NE2 HIS A 187 7.135 -3.281 0.744 1.00 0.00 N ATOM 0 H HIS A 187 3.080 -1.605 0.262 1.00 0.00 H new ATOM 0 HA HIS A 187 3.876 -3.103 -2.171 1.00 0.00 H new ATOM 0 HB2 HIS A 187 2.857 -4.240 0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 187 3.812 -5.008 -0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 187 6.447 -4.542 -0.907 1.00 0.00 H new ATOM 0 HE1 HIS A 187 6.678 -2.081 2.439 1.00 0.00 H new ATOM 0 HE2 HIS A 187 8.146 -3.194 0.640 1.00 0.00 H new ATOM 228 N ILE A 188 1.483 -3.434 -2.980 1.00 0.00 N ATOM 229 CA ILE A 188 0.119 -3.496 -3.576 1.00 0.00 C ATOM 230 C ILE A 188 -0.538 -4.921 -3.717 1.00 0.00 C ATOM 231 O ILE A 188 -1.766 -5.023 -3.705 1.00 0.00 O ATOM 232 CB ILE A 188 0.246 -2.675 -4.918 1.00 0.00 C ATOM 233 CG1 ILE A 188 -1.142 -2.188 -5.378 1.00 0.00 C ATOM 234 CG2 ILE A 188 0.990 -3.416 -6.068 1.00 0.00 C ATOM 235 CD1 ILE A 188 -1.161 -1.120 -6.488 1.00 0.00 C ATOM 0 H ILE A 188 2.227 -3.606 -3.656 1.00 0.00 H new ATOM 0 HA ILE A 188 -0.613 -3.063 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 188 0.879 -1.819 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -1.709 -3.052 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 188 -1.668 -1.789 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 188 1.028 -2.775 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 188 2.004 -3.656 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 188 0.459 -4.336 -6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 188 -2.193 -0.859 -6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 188 -0.631 -0.231 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -0.673 -1.513 -7.380 1.00 0.00 H new ATOM 247 N GLU A 189 0.243 -6.007 -3.858 1.00 0.00 N ATOM 248 CA GLU A 189 -0.270 -7.385 -4.035 1.00 0.00 C ATOM 249 C GLU A 189 -0.908 -8.013 -2.755 1.00 0.00 C ATOM 250 O GLU A 189 -0.336 -8.143 -1.675 1.00 0.00 O ATOM 251 CB GLU A 189 0.859 -8.252 -4.671 1.00 0.00 C ATOM 252 CG GLU A 189 2.084 -8.686 -3.808 1.00 0.00 C ATOM 253 CD GLU A 189 3.093 -7.622 -3.363 1.00 0.00 C ATOM 254 OE1 GLU A 189 3.183 -6.489 -3.831 1.00 0.00 O ATOM 255 OE2 GLU A 189 3.913 -8.089 -2.385 1.00 0.00 O ATOM 0 H GLU A 189 1.262 -5.956 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 189 -1.120 -7.349 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 189 0.394 -9.160 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 189 1.245 -7.704 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 189 1.699 -9.171 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 189 2.631 -9.443 -4.370 1.00 0.00 H new TER 263 GLU A 189