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 -37:sc= 1.07 USER MOD Single : A 179 ASN : amide:sc= 0 K(o=0,f=-1.6!) 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=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 4.261 1.571 5.532 1.00 0.00 N ATOM 2 CA VAL A 171 3.863 1.865 4.133 1.00 0.00 C ATOM 3 C VAL A 171 2.714 1.040 3.431 1.00 0.00 C ATOM 4 O VAL A 171 2.501 1.371 2.267 1.00 0.00 O ATOM 5 CB VAL A 171 5.186 1.881 3.282 1.00 0.00 C ATOM 6 CG1 VAL A 171 6.246 2.925 3.705 1.00 0.00 C ATOM 7 CG2 VAL A 171 5.867 0.509 3.065 1.00 0.00 C ATOM 0 HA VAL A 171 3.348 2.824 4.191 1.00 0.00 H new ATOM 0 HB VAL A 171 4.780 2.198 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.115 2.847 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.822 3.926 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.549 2.739 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 171 6.768 0.641 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 171 6.133 0.078 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 171 5.181 -0.160 2.546 1.00 0.00 H new ATOM 17 N PRO A 172 1.916 0.061 3.962 1.00 0.00 N ATOM 18 CA PRO A 172 0.924 -0.700 3.146 1.00 0.00 C ATOM 19 C PRO A 172 -0.271 0.145 2.584 1.00 0.00 C ATOM 20 O PRO A 172 -0.890 0.938 3.302 1.00 0.00 O ATOM 21 CB PRO A 172 0.523 -1.830 4.114 1.00 0.00 C ATOM 22 CG PRO A 172 0.732 -1.268 5.522 1.00 0.00 C ATOM 23 CD PRO A 172 1.892 -0.281 5.391 1.00 0.00 C ATOM 0 HA PRO A 172 1.337 -1.064 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.515 -2.126 3.961 1.00 0.00 H new ATOM 0 HB3 PRO A 172 1.134 -2.718 3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 172 -0.168 -0.772 5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 172 0.968 -2.061 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 172 1.734 0.603 6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 172 2.834 -0.729 5.709 1.00 0.00 H new ATOM 31 N CYS A 173 -0.612 -0.062 1.298 1.00 0.00 N ATOM 32 CA CYS A 173 -1.656 0.707 0.568 1.00 0.00 C ATOM 33 C CYS A 173 -3.092 0.740 1.196 1.00 0.00 C ATOM 34 O CYS A 173 -3.755 1.780 1.128 1.00 0.00 O ATOM 35 CB CYS A 173 -1.561 0.271 -0.900 1.00 0.00 C ATOM 36 SG CYS A 173 -0.678 1.476 -1.897 1.00 0.00 S ATOM 0 H CYS A 173 -0.168 -0.777 0.722 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.448 1.773 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -1.055 -0.692 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.564 0.130 -1.303 1.00 0.00 H new ATOM 41 N SER A 174 -3.545 -0.351 1.842 1.00 0.00 N ATOM 42 CA SER A 174 -4.776 -0.339 2.698 1.00 0.00 C ATOM 43 C SER A 174 -4.835 0.721 3.852 1.00 0.00 C ATOM 44 O SER A 174 -5.909 1.182 4.235 1.00 0.00 O ATOM 45 CB SER A 174 -4.989 -1.768 3.250 1.00 0.00 C ATOM 46 OG SER A 174 -3.933 -2.185 4.122 1.00 0.00 O ATOM 0 H SER A 174 -3.085 -1.260 1.796 1.00 0.00 H new ATOM 0 HA SER A 174 -5.586 -0.018 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 174 -5.936 -1.808 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 174 -5.065 -2.467 2.417 1.00 0.00 H new ATOM 0 HG SER A 174 -4.115 -3.092 4.445 1.00 0.00 H new ATOM 52 N THR A 175 -3.664 1.076 4.384 1.00 0.00 N ATOM 53 CA THR A 175 -3.487 2.103 5.451 1.00 0.00 C ATOM 54 C THR A 175 -3.134 3.537 4.913 1.00 0.00 C ATOM 55 O THR A 175 -3.392 4.524 5.604 1.00 0.00 O ATOM 56 CB THR A 175 -2.474 1.567 6.508 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.134 1.580 6.019 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.781 0.134 6.996 1.00 0.00 C ATOM 0 H THR A 175 -2.783 0.656 4.088 1.00 0.00 H new ATOM 0 HA THR A 175 -4.451 2.256 5.936 1.00 0.00 H new ATOM 0 HB THR A 175 -2.582 2.252 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.131 1.345 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.033 -0.169 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.770 0.110 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.757 -0.552 6.149 1.00 0.00 H new ATOM 66 N CYS A 176 -2.541 3.673 3.703 1.00 0.00 N ATOM 67 CA CYS A 176 -2.368 4.974 3.015 1.00 0.00 C ATOM 68 C CYS A 176 -3.744 5.583 2.566 1.00 0.00 C ATOM 69 O CYS A 176 -3.975 6.780 2.736 1.00 0.00 O ATOM 70 CB CYS A 176 -1.397 4.646 1.867 1.00 0.00 C ATOM 71 SG CYS A 176 0.171 4.036 2.520 1.00 0.00 S ATOM 0 H CYS A 176 -2.169 2.883 3.176 1.00 0.00 H new ATOM 0 HA CYS A 176 -1.963 5.761 3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.840 3.897 1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.224 5.537 1.263 1.00 0.00 H new ATOM 76 N GLU A 177 -4.633 4.743 1.992 1.00 0.00 N ATOM 77 CA GLU A 177 -6.066 5.037 1.717 1.00 0.00 C ATOM 78 C GLU A 177 -6.467 6.380 1.046 1.00 0.00 C ATOM 79 O GLU A 177 -7.420 7.070 1.420 1.00 0.00 O ATOM 80 CB GLU A 177 -6.889 4.660 2.979 1.00 0.00 C ATOM 81 CG GLU A 177 -6.750 5.537 4.254 1.00 0.00 C ATOM 82 CD GLU A 177 -7.565 5.026 5.436 1.00 0.00 C ATOM 83 OE1 GLU A 177 -7.117 4.306 6.322 1.00 0.00 O ATOM 84 OE2 GLU A 177 -8.856 5.454 5.400 1.00 0.00 O ATOM 0 H GLU A 177 -4.367 3.804 1.694 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.328 4.402 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -7.942 4.653 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -6.626 3.638 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -5.699 5.583 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -7.062 6.555 4.021 1.00 0.00 H new ATOM 92 N GLY A 178 -5.735 6.675 -0.023 1.00 0.00 N ATOM 93 CA GLY A 178 -5.873 7.948 -0.754 1.00 0.00 C ATOM 94 C GLY A 178 -4.740 8.984 -0.590 1.00 0.00 C ATOM 95 O GLY A 178 -4.769 10.010 -1.271 1.00 0.00 O ATOM 0 H GLY A 178 -5.031 6.048 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.970 7.719 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.807 8.417 -0.442 1.00 0.00 H new ATOM 99 N ASN A 179 -3.731 8.734 0.269 1.00 0.00 N ATOM 100 CA ASN A 179 -2.547 9.608 0.386 1.00 0.00 C ATOM 101 C ASN A 179 -1.561 9.116 -0.662 1.00 0.00 C ATOM 102 O ASN A 179 -0.902 8.080 -0.519 1.00 0.00 O ATOM 103 CB ASN A 179 -1.896 9.456 1.776 1.00 0.00 C ATOM 104 CG ASN A 179 -0.988 10.615 2.154 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.173 10.676 1.771 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.492 11.575 2.877 1.00 0.00 N ATOM 0 H ASN A 179 -3.713 7.929 0.895 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.824 10.653 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.681 9.361 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.319 8.531 1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -0.919 12.381 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.460 11.520 3.194 1.00 0.00 H new ATOM 113 N LEU A 180 -1.449 9.887 -1.720 1.00 0.00 N ATOM 114 CA LEU A 180 -0.661 9.450 -2.868 1.00 0.00 C ATOM 115 C LEU A 180 0.876 9.230 -2.696 1.00 0.00 C ATOM 116 O LEU A 180 1.481 8.430 -3.405 1.00 0.00 O ATOM 117 CB LEU A 180 -1.086 10.424 -3.978 1.00 0.00 C ATOM 118 CG LEU A 180 -2.277 10.009 -4.848 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.768 11.172 -5.723 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.991 8.784 -5.735 1.00 0.00 C ATOM 0 H LEU A 180 -1.882 10.805 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.881 8.407 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.322 11.383 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.229 10.587 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 180 -3.060 9.726 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.613 10.842 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -3.079 12.000 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.961 11.501 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.877 8.546 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.160 9.005 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.734 7.932 -5.106 1.00 0.00 H new ATOM 132 N ALA A 181 1.455 9.913 -1.713 1.00 0.00 N ATOM 133 CA ALA A 181 2.823 9.646 -1.222 1.00 0.00 C ATOM 134 C ALA A 181 2.935 8.284 -0.450 1.00 0.00 C ATOM 135 O ALA A 181 3.777 7.462 -0.800 1.00 0.00 O ATOM 136 CB ALA A 181 3.237 10.853 -0.375 1.00 0.00 C ATOM 0 H ALA A 181 0.991 10.678 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 181 3.510 9.527 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.245 10.699 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.217 11.753 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.544 10.967 0.458 1.00 0.00 H new ATOM 142 N CYS A 182 2.067 8.022 0.553 1.00 0.00 N ATOM 143 CA CYS A 182 1.970 6.702 1.250 1.00 0.00 C ATOM 144 C CYS A 182 1.714 5.485 0.309 1.00 0.00 C ATOM 145 O CYS A 182 2.417 4.471 0.336 1.00 0.00 O ATOM 146 CB CYS A 182 0.964 6.930 2.374 1.00 0.00 C ATOM 147 SG CYS A 182 0.939 5.560 3.538 1.00 0.00 S ATOM 0 H CYS A 182 1.409 8.716 0.909 1.00 0.00 H new ATOM 0 HA CYS A 182 2.925 6.385 1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.212 7.851 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.031 7.064 1.949 1.00 0.00 H new ATOM 152 N LEU A 183 0.713 5.655 -0.546 1.00 0.00 N ATOM 153 CA LEU A 183 0.380 4.749 -1.658 1.00 0.00 C ATOM 154 C LEU A 183 1.518 4.492 -2.714 1.00 0.00 C ATOM 155 O LEU A 183 1.599 3.400 -3.275 1.00 0.00 O ATOM 156 CB LEU A 183 -0.819 5.485 -2.294 1.00 0.00 C ATOM 157 CG LEU A 183 -2.205 5.445 -1.644 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.181 6.248 -2.523 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.768 4.019 -1.522 1.00 0.00 C ATOM 0 H LEU A 183 0.083 6.455 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 183 0.192 3.737 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.538 6.535 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.930 5.098 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.101 5.860 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.174 6.230 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.837 7.279 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.224 5.804 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.752 4.055 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.854 3.576 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -2.098 3.414 -0.911 1.00 0.00 H new ATOM 171 N SER A 184 2.357 5.502 -2.999 1.00 0.00 N ATOM 172 CA SER A 184 3.581 5.334 -3.846 1.00 0.00 C ATOM 173 C SER A 184 4.743 4.515 -3.174 1.00 0.00 C ATOM 174 O SER A 184 5.511 3.865 -3.885 1.00 0.00 O ATOM 175 CB SER A 184 4.068 6.721 -4.322 1.00 0.00 C ATOM 176 OG SER A 184 5.163 6.594 -5.233 1.00 0.00 O ATOM 0 H SER A 184 2.221 6.454 -2.659 1.00 0.00 H new ATOM 0 HA SER A 184 3.285 4.724 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.248 7.252 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.373 7.318 -3.463 1.00 0.00 H new ATOM 0 HG SER A 184 5.453 7.484 -5.522 1.00 0.00 H new ATOM 182 N LEU A 185 4.912 4.588 -1.841 1.00 0.00 N ATOM 183 CA LEU A 185 5.866 3.710 -1.082 1.00 0.00 C ATOM 184 C LEU A 185 5.431 2.229 -0.881 1.00 0.00 C ATOM 185 O LEU A 185 6.272 1.353 -0.648 1.00 0.00 O ATOM 186 CB LEU A 185 6.176 4.345 0.307 1.00 0.00 C ATOM 187 CG LEU A 185 6.563 5.839 0.373 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.706 6.305 1.828 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.851 6.157 -0.404 1.00 0.00 C ATOM 0 H LEU A 185 4.403 5.246 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 185 6.750 3.660 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 185 5.298 4.203 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 185 6.988 3.774 0.757 1.00 0.00 H new ATOM 0 HG LEU A 185 5.750 6.385 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.979 7.360 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.759 6.166 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 185 7.482 5.721 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 185 8.072 7.221 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.678 5.581 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.717 5.895 -1.453 1.00 0.00 H new ATOM 201 N CYS A 186 4.126 1.972 -0.940 1.00 0.00 N ATOM 202 CA CYS A 186 3.557 0.676 -0.642 1.00 0.00 C ATOM 203 C CYS A 186 3.761 -0.568 -1.561 1.00 0.00 C ATOM 204 O CYS A 186 4.175 -0.543 -2.721 1.00 0.00 O ATOM 205 CB CYS A 186 2.038 0.995 -0.552 1.00 0.00 C ATOM 206 SG CYS A 186 1.190 0.822 -2.132 1.00 0.00 S ATOM 0 H CYS A 186 3.432 2.673 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 186 4.095 0.315 0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.575 0.331 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 186 1.907 2.013 -0.185 1.00 0.00 H new ATOM 211 N HIS A 187 3.269 -1.664 -0.981 1.00 0.00 N ATOM 212 CA HIS A 187 3.126 -2.974 -1.650 1.00 0.00 C ATOM 213 C HIS A 187 1.660 -2.996 -2.210 1.00 0.00 C ATOM 214 O HIS A 187 0.672 -2.952 -1.463 1.00 0.00 O ATOM 215 CB HIS A 187 3.370 -4.137 -0.654 1.00 0.00 C ATOM 216 CG HIS A 187 4.498 -4.014 0.362 1.00 0.00 C ATOM 217 ND1 HIS A 187 4.412 -3.227 1.501 1.00 0.00 N ATOM 218 CD2 HIS A 187 5.808 -4.401 0.114 1.00 0.00 C ATOM 219 CE1 HIS A 187 5.739 -3.174 1.818 1.00 0.00 C ATOM 220 NE2 HIS A 187 6.654 -3.873 1.073 1.00 0.00 N ATOM 0 H HIS A 187 2.950 -1.674 -0.012 1.00 0.00 H new ATOM 0 HA HIS A 187 3.859 -3.106 -2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 187 2.444 -4.296 -0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 187 3.551 -5.039 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 187 6.122 -5.025 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 187 6.069 -2.580 2.658 1.00 0.00 H new ATOM 0 HE2 HIS A 187 7.662 -3.974 1.191 1.00 0.00 H new ATOM 228 N ILE A 188 1.520 -3.079 -3.535 1.00 0.00 N ATOM 229 CA ILE A 188 0.197 -2.917 -4.219 1.00 0.00 C ATOM 230 C ILE A 188 -0.449 -4.325 -4.455 1.00 0.00 C ATOM 231 O ILE A 188 -0.186 -5.004 -5.451 1.00 0.00 O ATOM 232 CB ILE A 188 0.368 -2.043 -5.514 1.00 0.00 C ATOM 233 CG1 ILE A 188 0.993 -0.628 -5.275 1.00 0.00 C ATOM 234 CG2 ILE A 188 -0.965 -1.857 -6.291 1.00 0.00 C ATOM 235 CD1 ILE A 188 1.689 -0.016 -6.504 1.00 0.00 C ATOM 0 H ILE A 188 2.296 -3.257 -4.172 1.00 0.00 H new ATOM 0 HA ILE A 188 -0.506 -2.370 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 188 1.074 -2.625 -6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 188 0.206 0.050 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 188 1.716 -0.698 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -0.788 -1.246 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -1.349 -2.831 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -1.695 -1.363 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 188 2.091 0.963 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 188 2.501 -0.669 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 188 0.968 0.091 -7.315 1.00 0.00 H new ATOM 247 N GLU A 189 -1.314 -4.746 -3.518 1.00 0.00 N ATOM 248 CA GLU A 189 -2.014 -6.053 -3.582 1.00 0.00 C ATOM 249 C GLU A 189 -3.244 -6.021 -4.541 1.00 0.00 C ATOM 250 O GLU A 189 -4.239 -5.315 -4.383 1.00 0.00 O ATOM 251 CB GLU A 189 -2.357 -6.445 -2.115 1.00 0.00 C ATOM 252 CG GLU A 189 -2.892 -7.885 -1.879 1.00 0.00 C ATOM 253 CD GLU A 189 -4.351 -8.131 -2.266 1.00 0.00 C ATOM 254 OE1 GLU A 189 -4.699 -8.751 -3.264 1.00 0.00 O ATOM 255 OE2 GLU A 189 -5.222 -7.575 -1.383 1.00 0.00 O ATOM 0 H GLU A 189 -1.552 -4.195 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 189 -1.378 -6.822 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -1.460 -6.313 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -3.100 -5.741 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -2.266 -8.580 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 189 -2.771 -8.127 -0.823 1.00 0.00 H new TER 263 GLU A 189