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 -50:sc= 1.01 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= -0.322 X(o=-0.32,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 4.467 1.669 4.045 1.00 0.00 N ATOM 2 CA VAL A 171 4.394 0.611 2.987 1.00 0.00 C ATOM 3 C VAL A 171 3.097 -0.283 2.811 1.00 0.00 C ATOM 4 O VAL A 171 3.010 -0.936 1.769 1.00 0.00 O ATOM 5 CB VAL A 171 5.751 -0.174 2.983 1.00 0.00 C ATOM 6 CG1 VAL A 171 5.916 -1.146 4.172 1.00 0.00 C ATOM 7 CG2 VAL A 171 6.102 -0.921 1.681 1.00 0.00 C ATOM 0 HA VAL A 171 4.244 1.170 2.063 1.00 0.00 H new ATOM 0 HB VAL A 171 6.462 0.647 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.879 -1.651 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.869 -0.588 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 171 5.116 -1.886 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 171 7.061 -1.426 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 171 5.328 -1.658 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 171 6.165 -0.209 0.858 1.00 0.00 H new ATOM 17 N PRO A 172 2.070 -0.387 3.695 1.00 0.00 N ATOM 18 CA PRO A 172 0.815 -1.123 3.392 1.00 0.00 C ATOM 19 C PRO A 172 -0.256 -0.157 2.772 1.00 0.00 C ATOM 20 O PRO A 172 -0.831 0.681 3.478 1.00 0.00 O ATOM 21 CB PRO A 172 0.482 -1.705 4.780 1.00 0.00 C ATOM 22 CG PRO A 172 1.106 -0.764 5.823 1.00 0.00 C ATOM 23 CD PRO A 172 2.190 0.033 5.091 1.00 0.00 C ATOM 0 HA PRO A 172 0.872 -1.905 2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.597 -1.775 4.920 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.883 -2.714 4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 172 0.353 -0.099 6.246 1.00 0.00 H new ATOM 0 HG3 PRO A 172 1.532 -1.330 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 172 2.034 1.107 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 172 3.181 -0.186 5.488 1.00 0.00 H new ATOM 31 N CYS A 173 -0.540 -0.268 1.457 1.00 0.00 N ATOM 32 CA CYS A 173 -1.554 0.572 0.748 1.00 0.00 C ATOM 33 C CYS A 173 -2.999 0.631 1.354 1.00 0.00 C ATOM 34 O CYS A 173 -3.623 1.697 1.322 1.00 0.00 O ATOM 35 CB CYS A 173 -1.474 0.238 -0.743 1.00 0.00 C ATOM 36 SG CYS A 173 -0.657 1.548 -1.644 1.00 0.00 S ATOM 0 H CYS A 173 -0.076 -0.942 0.847 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.285 1.616 0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -0.933 -0.698 -0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.478 0.088 -1.141 1.00 0.00 H new ATOM 41 N SER A 174 -3.489 -0.467 1.961 1.00 0.00 N ATOM 42 CA SER A 174 -4.729 -0.449 2.806 1.00 0.00 C ATOM 43 C SER A 174 -4.802 0.555 4.010 1.00 0.00 C ATOM 44 O SER A 174 -5.872 0.784 4.577 1.00 0.00 O ATOM 45 CB SER A 174 -4.976 -1.885 3.320 1.00 0.00 C ATOM 46 OG SER A 174 -3.941 -2.341 4.201 1.00 0.00 O ATOM 0 H SER A 174 -3.053 -1.387 1.890 1.00 0.00 H new ATOM 0 HA SER A 174 -5.502 -0.073 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 174 -5.933 -1.921 3.840 1.00 0.00 H new ATOM 0 HB3 SER A 174 -5.050 -2.563 2.470 1.00 0.00 H new ATOM 0 HG SER A 174 -4.144 -3.252 4.500 1.00 0.00 H new ATOM 52 N THR A 175 -3.656 1.111 4.403 1.00 0.00 N ATOM 53 CA THR A 175 -3.522 2.132 5.478 1.00 0.00 C ATOM 54 C THR A 175 -3.270 3.590 4.941 1.00 0.00 C ATOM 55 O THR A 175 -3.578 4.555 5.642 1.00 0.00 O ATOM 56 CB THR A 175 -2.426 1.672 6.490 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.119 1.813 5.940 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.571 0.214 6.970 1.00 0.00 C ATOM 0 H THR A 175 -2.761 0.866 3.979 1.00 0.00 H new ATOM 0 HA THR A 175 -4.480 2.199 5.993 1.00 0.00 H new ATOM 0 HB THR A 175 -2.570 2.328 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.091 1.398 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 175 -1.769 -0.020 7.669 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.533 0.088 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.514 -0.458 6.114 1.00 0.00 H new ATOM 66 N CYS A 176 -2.708 3.764 3.721 1.00 0.00 N ATOM 67 CA CYS A 176 -2.542 5.079 3.058 1.00 0.00 C ATOM 68 C CYS A 176 -3.907 5.717 2.619 1.00 0.00 C ATOM 69 O CYS A 176 -4.114 6.917 2.803 1.00 0.00 O ATOM 70 CB CYS A 176 -1.546 4.758 1.921 1.00 0.00 C ATOM 71 SG CYS A 176 0.013 4.176 2.616 1.00 0.00 S ATOM 0 H CYS A 176 -2.353 2.987 3.164 1.00 0.00 H new ATOM 0 HA CYS A 176 -2.157 5.865 3.707 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.966 3.999 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.374 5.647 1.314 1.00 0.00 H new ATOM 76 N GLU A 177 -4.811 4.910 2.029 1.00 0.00 N ATOM 77 CA GLU A 177 -6.227 5.261 1.723 1.00 0.00 C ATOM 78 C GLU A 177 -6.520 6.592 0.972 1.00 0.00 C ATOM 79 O GLU A 177 -7.394 7.387 1.328 1.00 0.00 O ATOM 80 CB GLU A 177 -7.100 5.064 3.005 1.00 0.00 C ATOM 81 CG GLU A 177 -7.184 3.633 3.600 1.00 0.00 C ATOM 82 CD GLU A 177 -7.826 2.584 2.693 1.00 0.00 C ATOM 83 OE1 GLU A 177 -7.225 1.976 1.814 1.00 0.00 O ATOM 84 OE2 GLU A 177 -9.148 2.410 2.958 1.00 0.00 O ATOM 0 H GLU A 177 -4.575 3.961 1.739 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.518 4.554 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -6.716 5.728 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -8.113 5.393 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -6.176 3.303 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -7.748 3.678 4.532 1.00 0.00 H new ATOM 92 N GLY A 178 -5.793 6.772 -0.130 1.00 0.00 N ATOM 93 CA GLY A 178 -5.874 8.005 -0.936 1.00 0.00 C ATOM 94 C GLY A 178 -4.744 9.046 -0.776 1.00 0.00 C ATOM 95 O GLY A 178 -4.760 10.055 -1.481 1.00 0.00 O ATOM 0 H GLY A 178 -5.136 6.080 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.917 7.716 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.818 8.497 -0.702 1.00 0.00 H new ATOM 99 N ASN A 179 -3.753 8.814 0.106 1.00 0.00 N ATOM 100 CA ASN A 179 -2.574 9.687 0.231 1.00 0.00 C ATOM 101 C ASN A 179 -1.559 9.154 -0.766 1.00 0.00 C ATOM 102 O ASN A 179 -0.915 8.116 -0.572 1.00 0.00 O ATOM 103 CB ASN A 179 -1.975 9.576 1.646 1.00 0.00 C ATOM 104 CG ASN A 179 -1.074 10.743 2.012 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.089 10.807 1.632 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.588 11.708 2.719 1.00 0.00 N ATOM 0 H ASN A 179 -3.748 8.021 0.747 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.837 10.729 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.786 9.511 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.406 8.650 1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -1.022 12.522 2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.557 11.650 3.033 1.00 0.00 H new ATOM 113 N LEU A 180 -1.406 9.893 -1.840 1.00 0.00 N ATOM 114 CA LEU A 180 -0.589 9.415 -2.948 1.00 0.00 C ATOM 115 C LEU A 180 0.940 9.204 -2.721 1.00 0.00 C ATOM 116 O LEU A 180 1.563 8.395 -3.400 1.00 0.00 O ATOM 117 CB LEU A 180 -0.980 10.349 -4.103 1.00 0.00 C ATOM 118 CG LEU A 180 -2.157 9.913 -4.985 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.614 11.049 -5.913 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.865 8.653 -5.821 1.00 0.00 C ATOM 0 H LEU A 180 -1.825 10.813 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.805 8.366 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.216 11.327 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.107 10.479 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 180 -2.959 9.663 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.449 10.706 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -2.929 11.903 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.788 11.344 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.741 8.403 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.017 8.842 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.631 7.822 -5.156 1.00 0.00 H new ATOM 132 N ALA A 181 1.498 9.902 -1.735 1.00 0.00 N ATOM 133 CA ALA A 181 2.852 9.633 -1.204 1.00 0.00 C ATOM 134 C ALA A 181 2.925 8.290 -0.393 1.00 0.00 C ATOM 135 O ALA A 181 3.755 7.442 -0.711 1.00 0.00 O ATOM 136 CB ALA A 181 3.260 10.853 -0.377 1.00 0.00 C ATOM 0 H ALA A 181 1.027 10.679 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 181 3.558 9.487 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.257 10.696 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.265 11.738 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.549 10.995 0.437 1.00 0.00 H new ATOM 142 N CYS A 182 2.036 8.076 0.604 1.00 0.00 N ATOM 143 CA CYS A 182 1.888 6.775 1.332 1.00 0.00 C ATOM 144 C CYS A 182 1.664 5.532 0.417 1.00 0.00 C ATOM 145 O CYS A 182 2.333 4.501 0.518 1.00 0.00 O ATOM 146 CB CYS A 182 0.828 7.054 2.392 1.00 0.00 C ATOM 147 SG CYS A 182 0.746 5.733 3.608 1.00 0.00 S ATOM 0 H CYS A 182 1.395 8.797 0.934 1.00 0.00 H new ATOM 0 HA CYS A 182 2.816 6.456 1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.052 7.996 2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.144 7.170 1.913 1.00 0.00 H new ATOM 152 N LEU A 183 0.721 5.697 -0.501 1.00 0.00 N ATOM 153 CA LEU A 183 0.436 4.766 -1.598 1.00 0.00 C ATOM 154 C LEU A 183 1.592 4.537 -2.639 1.00 0.00 C ATOM 155 O LEU A 183 1.727 3.433 -3.164 1.00 0.00 O ATOM 156 CB LEU A 183 -0.769 5.456 -2.271 1.00 0.00 C ATOM 157 CG LEU A 183 -2.163 5.434 -1.641 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.128 6.208 -2.556 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.725 4.013 -1.469 1.00 0.00 C ATOM 0 H LEU A 183 0.107 6.512 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 183 0.276 3.756 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.499 6.504 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.865 5.023 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.073 5.884 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.127 6.201 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.784 7.237 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.157 5.735 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.716 4.066 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.796 3.529 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -2.063 3.435 -0.824 1.00 0.00 H new ATOM 171 N SER A 184 2.394 5.566 -2.962 1.00 0.00 N ATOM 172 CA SER A 184 3.614 5.409 -3.820 1.00 0.00 C ATOM 173 C SER A 184 4.789 4.601 -3.161 1.00 0.00 C ATOM 174 O SER A 184 5.597 4.016 -3.886 1.00 0.00 O ATOM 175 CB SER A 184 4.091 6.790 -4.320 1.00 0.00 C ATOM 176 OG SER A 184 5.178 6.655 -5.240 1.00 0.00 O ATOM 0 H SER A 184 2.231 6.523 -2.648 1.00 0.00 H new ATOM 0 HA SER A 184 3.306 4.795 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.264 7.311 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.401 7.400 -3.472 1.00 0.00 H new ATOM 0 HG SER A 184 5.462 7.543 -5.544 1.00 0.00 H new ATOM 182 N LEU A 185 4.917 4.603 -1.823 1.00 0.00 N ATOM 183 CA LEU A 185 5.871 3.707 -1.092 1.00 0.00 C ATOM 184 C LEU A 185 5.474 2.207 -1.047 1.00 0.00 C ATOM 185 O LEU A 185 6.345 1.337 -0.974 1.00 0.00 O ATOM 186 CB LEU A 185 6.058 4.203 0.377 1.00 0.00 C ATOM 187 CG LEU A 185 6.397 5.690 0.610 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.369 6.032 2.107 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.756 6.090 0.012 1.00 0.00 C ATOM 0 H LEU A 185 4.375 5.213 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 185 6.794 3.768 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 185 5.140 3.982 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 185 6.849 3.607 0.831 1.00 0.00 H new ATOM 0 HG LEU A 185 5.628 6.263 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.611 7.086 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.375 5.833 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 185 7.101 5.420 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 185 7.942 7.146 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.545 5.493 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.746 5.915 -1.064 1.00 0.00 H new ATOM 201 N CYS A 186 4.170 1.923 -1.056 1.00 0.00 N ATOM 202 CA CYS A 186 3.634 0.601 -0.825 1.00 0.00 C ATOM 203 C CYS A 186 3.740 -0.502 -1.928 1.00 0.00 C ATOM 204 O CYS A 186 4.212 -0.325 -3.054 1.00 0.00 O ATOM 205 CB CYS A 186 2.143 0.927 -0.516 1.00 0.00 C ATOM 206 SG CYS A 186 1.195 0.976 -2.045 1.00 0.00 S ATOM 0 H CYS A 186 3.452 2.627 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 186 4.234 0.117 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.729 0.174 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 186 2.071 1.886 -0.002 1.00 0.00 H new ATOM 211 N HIS A 187 3.142 -1.641 -1.570 1.00 0.00 N ATOM 212 CA HIS A 187 2.916 -2.786 -2.479 1.00 0.00 C ATOM 213 C HIS A 187 1.458 -2.609 -3.034 1.00 0.00 C ATOM 214 O HIS A 187 0.468 -2.724 -2.299 1.00 0.00 O ATOM 215 CB HIS A 187 3.049 -4.174 -1.782 1.00 0.00 C ATOM 216 CG HIS A 187 3.724 -4.313 -0.427 1.00 0.00 C ATOM 217 ND1 HIS A 187 3.093 -3.943 0.746 1.00 0.00 N ATOM 218 CD2 HIS A 187 5.045 -4.680 -0.199 1.00 0.00 C ATOM 219 CE1 HIS A 187 4.146 -4.070 1.602 1.00 0.00 C ATOM 220 NE2 HIS A 187 5.350 -4.545 1.145 1.00 0.00 N ATOM 0 H HIS A 187 2.792 -1.804 -0.626 1.00 0.00 H new ATOM 0 HA HIS A 187 3.677 -2.782 -3.259 1.00 0.00 H new ATOM 0 HB2 HIS A 187 2.041 -4.576 -1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 187 3.583 -4.827 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 187 5.733 -5.021 -0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 187 4.033 -3.797 2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 187 6.215 -4.741 1.648 1.00 0.00 H new ATOM 228 N ILE A 188 1.321 -2.345 -4.337 1.00 0.00 N ATOM 229 CA ILE A 188 -0.015 -2.058 -4.962 1.00 0.00 C ATOM 230 C ILE A 188 -0.546 -3.385 -5.617 1.00 0.00 C ATOM 231 O ILE A 188 -0.394 -3.622 -6.819 1.00 0.00 O ATOM 232 CB ILE A 188 0.055 -0.817 -5.926 1.00 0.00 C ATOM 233 CG1 ILE A 188 0.627 0.484 -5.277 1.00 0.00 C ATOM 234 CG2 ILE A 188 -1.331 -0.486 -6.546 1.00 0.00 C ATOM 235 CD1 ILE A 188 1.081 1.576 -6.264 1.00 0.00 C ATOM 0 H ILE A 188 2.102 -2.319 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 188 -0.745 -1.757 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 188 0.756 -1.132 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -0.134 0.906 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 188 1.475 0.212 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -1.238 0.377 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -1.688 -1.343 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -2.041 -0.260 -5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 188 1.460 2.434 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 188 1.869 1.182 -6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 188 0.235 1.886 -6.878 1.00 0.00 H new ATOM 247 N GLU A 189 -1.168 -4.256 -4.802 1.00 0.00 N ATOM 248 CA GLU A 189 -1.667 -5.579 -5.246 1.00 0.00 C ATOM 249 C GLU A 189 -3.147 -5.521 -5.728 1.00 0.00 C ATOM 250 O GLU A 189 -4.112 -5.283 -5.004 1.00 0.00 O ATOM 251 CB GLU A 189 -1.421 -6.567 -4.073 1.00 0.00 C ATOM 252 CG GLU A 189 -1.680 -8.060 -4.407 1.00 0.00 C ATOM 253 CD GLU A 189 -1.382 -9.019 -3.258 1.00 0.00 C ATOM 254 OE1 GLU A 189 -0.465 -9.832 -3.267 1.00 0.00 O ATOM 255 OE2 GLU A 189 -2.253 -8.878 -2.223 1.00 0.00 O ATOM 0 H GLU A 189 -1.341 -4.066 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 189 -1.129 -5.927 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -0.390 -6.459 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.060 -6.281 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -2.722 -8.179 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 189 -1.070 -8.340 -5.266 1.00 0.00 H new TER 263 GLU A 189