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 -24:sc= 1.3 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=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 3.411 2.318 5.824 1.00 0.00 N ATOM 2 CA VAL A 171 3.668 2.066 4.374 1.00 0.00 C ATOM 3 C VAL A 171 2.534 1.337 3.559 1.00 0.00 C ATOM 4 O VAL A 171 2.225 1.835 2.476 1.00 0.00 O ATOM 5 CB VAL A 171 5.076 1.419 4.087 1.00 0.00 C ATOM 6 CG1 VAL A 171 5.630 1.859 2.718 1.00 0.00 C ATOM 7 CG2 VAL A 171 6.221 1.659 5.100 1.00 0.00 C ATOM 0 HA VAL A 171 3.666 3.083 3.983 1.00 0.00 H new ATOM 0 HB VAL A 171 4.820 0.361 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.602 1.394 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 171 4.942 1.551 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 171 5.739 2.943 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 171 7.122 1.148 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 171 6.418 2.728 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 171 5.931 1.270 6.076 1.00 0.00 H new ATOM 17 N PRO A 172 1.926 0.187 3.973 1.00 0.00 N ATOM 18 CA PRO A 172 0.908 -0.562 3.185 1.00 0.00 C ATOM 19 C PRO A 172 -0.269 0.247 2.559 1.00 0.00 C ATOM 20 O PRO A 172 -0.890 1.084 3.217 1.00 0.00 O ATOM 21 CB PRO A 172 0.415 -1.604 4.216 1.00 0.00 C ATOM 22 CG PRO A 172 1.575 -1.780 5.198 1.00 0.00 C ATOM 23 CD PRO A 172 2.171 -0.379 5.296 1.00 0.00 C ATOM 0 HA PRO A 172 1.355 -0.961 2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.484 -1.258 4.727 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.163 -2.547 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 172 1.230 -2.138 6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 172 2.305 -2.502 4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 172 1.691 0.208 6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 172 3.235 -0.411 5.529 1.00 0.00 H new ATOM 31 N CYS A 173 -0.596 -0.044 1.295 1.00 0.00 N ATOM 32 CA CYS A 173 -1.649 0.671 0.526 1.00 0.00 C ATOM 33 C CYS A 173 -3.093 0.631 1.117 1.00 0.00 C ATOM 34 O CYS A 173 -3.784 1.655 1.092 1.00 0.00 O ATOM 35 CB CYS A 173 -1.469 0.254 -0.925 1.00 0.00 C ATOM 36 SG CYS A 173 -0.643 1.527 -1.864 1.00 0.00 S ATOM 0 H CYS A 173 -0.141 -0.786 0.763 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.513 1.749 0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -0.891 -0.669 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.442 0.044 -1.369 1.00 0.00 H new ATOM 41 N SER A 174 -3.503 -0.497 1.726 1.00 0.00 N ATOM 42 CA SER A 174 -4.729 -0.541 2.578 1.00 0.00 C ATOM 43 C SER A 174 -4.771 0.401 3.834 1.00 0.00 C ATOM 44 O SER A 174 -5.831 0.601 4.430 1.00 0.00 O ATOM 45 CB SER A 174 -4.967 -2.003 3.016 1.00 0.00 C ATOM 46 OG SER A 174 -3.917 -2.505 3.853 1.00 0.00 O ATOM 0 H SER A 174 -3.015 -1.389 1.651 1.00 0.00 H new ATOM 0 HA SER A 174 -5.522 -0.148 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 174 -5.915 -2.069 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 174 -5.055 -2.634 2.131 1.00 0.00 H new ATOM 0 HG SER A 174 -4.114 -3.431 4.105 1.00 0.00 H new ATOM 52 N THR A 175 -3.615 0.938 4.244 1.00 0.00 N ATOM 53 CA THR A 175 -3.472 1.901 5.372 1.00 0.00 C ATOM 54 C THR A 175 -3.170 3.382 4.921 1.00 0.00 C ATOM 55 O THR A 175 -3.429 4.307 5.691 1.00 0.00 O ATOM 56 CB THR A 175 -2.443 1.337 6.402 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.106 1.350 5.903 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.750 -0.103 6.863 1.00 0.00 C ATOM 0 H THR A 175 -2.725 0.717 3.798 1.00 0.00 H new ATOM 0 HA THR A 175 -4.441 1.989 5.864 1.00 0.00 H new ATOM 0 HB THR A 175 -2.537 2.011 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.122 1.344 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 175 -1.992 -0.426 7.577 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.731 -0.132 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.744 -0.770 6.001 1.00 0.00 H new ATOM 66 N CYS A 176 -2.637 3.627 3.699 1.00 0.00 N ATOM 67 CA CYS A 176 -2.463 4.982 3.115 1.00 0.00 C ATOM 68 C CYS A 176 -3.829 5.649 2.719 1.00 0.00 C ATOM 69 O CYS A 176 -4.031 6.839 2.962 1.00 0.00 O ATOM 70 CB CYS A 176 -1.479 4.737 1.946 1.00 0.00 C ATOM 71 SG CYS A 176 0.105 4.164 2.587 1.00 0.00 S ATOM 0 H CYS A 176 -2.312 2.882 3.083 1.00 0.00 H new ATOM 0 HA CYS A 176 -2.064 5.717 3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.892 3.998 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.340 5.657 1.377 1.00 0.00 H new ATOM 76 N GLU A 177 -4.739 4.876 2.092 1.00 0.00 N ATOM 77 CA GLU A 177 -6.155 5.242 1.812 1.00 0.00 C ATOM 78 C GLU A 177 -6.452 6.600 1.112 1.00 0.00 C ATOM 79 O GLU A 177 -7.312 7.390 1.514 1.00 0.00 O ATOM 80 CB GLU A 177 -7.022 4.989 3.088 1.00 0.00 C ATOM 81 CG GLU A 177 -7.123 3.527 3.602 1.00 0.00 C ATOM 82 CD GLU A 177 -7.812 2.547 2.655 1.00 0.00 C ATOM 83 OE1 GLU A 177 -7.232 1.914 1.779 1.00 0.00 O ATOM 84 OE2 GLU A 177 -9.150 2.462 2.881 1.00 0.00 O ATOM 0 H GLU A 177 -4.506 3.943 1.751 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.453 4.568 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -6.622 5.603 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -8.032 5.346 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -6.117 3.161 3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -7.661 3.529 4.550 1.00 0.00 H new ATOM 92 N GLY A 178 -5.749 6.810 -0.001 1.00 0.00 N ATOM 93 CA GLY A 178 -5.858 8.059 -0.781 1.00 0.00 C ATOM 94 C GLY A 178 -4.719 9.092 -0.661 1.00 0.00 C ATOM 95 O GLY A 178 -4.748 10.098 -1.372 1.00 0.00 O ATOM 0 H GLY A 178 -5.093 6.133 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.953 7.788 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.787 8.552 -0.493 1.00 0.00 H new ATOM 99 N ASN A 179 -3.707 8.857 0.193 1.00 0.00 N ATOM 100 CA ASN A 179 -2.517 9.720 0.277 1.00 0.00 C ATOM 101 C ASN A 179 -1.536 9.181 -0.750 1.00 0.00 C ATOM 102 O ASN A 179 -0.890 8.143 -0.568 1.00 0.00 O ATOM 103 CB ASN A 179 -1.882 9.604 1.676 1.00 0.00 C ATOM 104 CG ASN A 179 -0.964 10.765 2.019 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.196 10.811 1.627 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.459 11.748 2.718 1.00 0.00 N ATOM 0 H ASN A 179 -3.691 8.069 0.840 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.774 10.764 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.674 9.543 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.317 8.674 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -0.880 12.558 2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.425 11.707 3.043 1.00 0.00 H new ATOM 113 N LEU A 180 -1.415 9.910 -1.836 1.00 0.00 N ATOM 114 CA LEU A 180 -0.623 9.425 -2.960 1.00 0.00 C ATOM 115 C LEU A 180 0.912 9.208 -2.763 1.00 0.00 C ATOM 116 O LEU A 180 1.518 8.377 -3.433 1.00 0.00 O ATOM 117 CB LEU A 180 -1.034 10.352 -4.114 1.00 0.00 C ATOM 118 CG LEU A 180 -2.221 9.917 -4.982 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.632 11.030 -5.958 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.977 8.616 -5.767 1.00 0.00 C ATOM 0 H LEU A 180 -1.844 10.826 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.849 8.376 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.265 11.331 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.170 10.481 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 180 -3.029 9.719 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.476 10.693 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -2.919 11.919 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.793 11.269 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.862 8.375 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.123 8.747 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.773 7.803 -5.070 1.00 0.00 H new ATOM 132 N ALA A 181 1.490 9.926 -1.803 1.00 0.00 N ATOM 133 CA ALA A 181 2.849 9.663 -1.287 1.00 0.00 C ATOM 134 C ALA A 181 2.931 8.317 -0.481 1.00 0.00 C ATOM 135 O ALA A 181 3.744 7.464 -0.828 1.00 0.00 O ATOM 136 CB ALA A 181 3.257 10.892 -0.469 1.00 0.00 C ATOM 0 H ALA A 181 1.031 10.717 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 181 3.554 9.518 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.259 10.744 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.250 11.774 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.553 11.034 0.351 1.00 0.00 H new ATOM 142 N CYS A 182 2.066 8.098 0.536 1.00 0.00 N ATOM 143 CA CYS A 182 1.942 6.794 1.263 1.00 0.00 C ATOM 144 C CYS A 182 1.692 5.557 0.351 1.00 0.00 C ATOM 145 O CYS A 182 2.399 4.549 0.402 1.00 0.00 O ATOM 146 CB CYS A 182 0.916 7.054 2.362 1.00 0.00 C ATOM 147 SG CYS A 182 0.867 5.717 3.564 1.00 0.00 S ATOM 0 H CYS A 182 1.429 8.815 0.883 1.00 0.00 H new ATOM 0 HA CYS A 182 2.888 6.483 1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.156 7.989 2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.071 7.177 1.916 1.00 0.00 H new ATOM 152 N LEU A 183 0.697 5.708 -0.512 1.00 0.00 N ATOM 153 CA LEU A 183 0.369 4.776 -1.597 1.00 0.00 C ATOM 154 C LEU A 183 1.500 4.494 -2.650 1.00 0.00 C ATOM 155 O LEU A 183 1.585 3.381 -3.160 1.00 0.00 O ATOM 156 CB LEU A 183 -0.828 5.486 -2.258 1.00 0.00 C ATOM 157 CG LEU A 183 -2.211 5.475 -1.605 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.185 6.251 -2.508 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.773 4.052 -1.434 1.00 0.00 C ATOM 0 H LEU A 183 0.069 6.511 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 183 0.187 3.776 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.546 6.531 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.942 5.058 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.108 5.926 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.177 6.253 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.836 7.277 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.233 5.773 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.756 4.103 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.860 3.575 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -2.101 3.469 -0.804 1.00 0.00 H new ATOM 171 N SER A 184 2.332 5.489 -2.997 1.00 0.00 N ATOM 172 CA SER A 184 3.528 5.278 -3.878 1.00 0.00 C ATOM 173 C SER A 184 4.691 4.446 -3.224 1.00 0.00 C ATOM 174 O SER A 184 5.393 3.720 -3.932 1.00 0.00 O ATOM 175 CB SER A 184 4.026 6.640 -4.405 1.00 0.00 C ATOM 176 OG SER A 184 5.079 6.468 -5.358 1.00 0.00 O ATOM 0 H SER A 184 2.212 6.454 -2.689 1.00 0.00 H new ATOM 0 HA SER A 184 3.195 4.657 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.199 7.180 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.380 7.248 -3.573 1.00 0.00 H new ATOM 0 HG SER A 184 5.377 7.345 -5.678 1.00 0.00 H new ATOM 182 N LEU A 185 4.924 4.580 -1.906 1.00 0.00 N ATOM 183 CA LEU A 185 5.886 3.711 -1.145 1.00 0.00 C ATOM 184 C LEU A 185 5.458 2.234 -0.892 1.00 0.00 C ATOM 185 O LEU A 185 6.297 1.372 -0.612 1.00 0.00 O ATOM 186 CB LEU A 185 6.199 4.371 0.235 1.00 0.00 C ATOM 187 CG LEU A 185 6.537 5.876 0.314 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.717 6.321 1.774 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.782 6.253 -0.501 1.00 0.00 C ATOM 0 H LEU A 185 4.463 5.283 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 185 6.754 3.647 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 185 5.337 4.198 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 185 7.037 3.828 0.671 1.00 0.00 H new ATOM 0 HG LEU A 185 5.689 6.401 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.954 7.384 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.795 6.140 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 185 7.530 5.755 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 185 7.969 7.323 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.643 5.700 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.619 6.005 -1.550 1.00 0.00 H new ATOM 201 N CYS A 186 4.156 1.966 -0.956 1.00 0.00 N ATOM 202 CA CYS A 186 3.581 0.699 -0.561 1.00 0.00 C ATOM 203 C CYS A 186 3.737 -0.607 -1.419 1.00 0.00 C ATOM 204 O CYS A 186 4.335 -0.694 -2.490 1.00 0.00 O ATOM 205 CB CYS A 186 2.087 1.106 -0.435 1.00 0.00 C ATOM 206 SG CYS A 186 1.240 0.898 -2.015 1.00 0.00 S ATOM 0 H CYS A 186 3.466 2.639 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 186 4.129 0.338 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.601 0.497 0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 186 2.013 2.144 -0.110 1.00 0.00 H new ATOM 211 N HIS A 187 3.031 -1.609 -0.891 1.00 0.00 N ATOM 212 CA HIS A 187 2.873 -2.962 -1.488 1.00 0.00 C ATOM 213 C HIS A 187 1.585 -3.100 -2.392 1.00 0.00 C ATOM 214 O HIS A 187 1.639 -3.722 -3.454 1.00 0.00 O ATOM 215 CB HIS A 187 2.801 -3.995 -0.326 1.00 0.00 C ATOM 216 CG HIS A 187 3.787 -3.887 0.833 1.00 0.00 C ATOM 217 ND1 HIS A 187 3.615 -2.997 1.884 1.00 0.00 N ATOM 218 CD2 HIS A 187 5.089 -4.360 0.782 1.00 0.00 C ATOM 219 CE1 HIS A 187 4.895 -2.987 2.364 1.00 0.00 C ATOM 220 NE2 HIS A 187 5.846 -3.794 1.795 1.00 0.00 N ATOM 0 H HIS A 187 2.532 -1.511 -0.007 1.00 0.00 H new ATOM 0 HA HIS A 187 3.728 -3.142 -2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 187 1.796 -3.946 0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 187 2.916 -4.987 -0.762 1.00 0.00 H new ATOM 0 HD2 HIS A 187 5.460 -5.068 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 187 5.157 -2.344 3.191 1.00 0.00 H new ATOM 0 HE2 HIS A 187 6.825 -3.936 2.044 1.00 0.00 H new ATOM 228 N ILE A 188 0.442 -2.507 -1.988 1.00 0.00 N ATOM 229 CA ILE A 188 -0.869 -2.585 -2.727 1.00 0.00 C ATOM 230 C ILE A 188 -1.104 -1.374 -3.718 1.00 0.00 C ATOM 231 O ILE A 188 -2.112 -0.667 -3.675 1.00 0.00 O ATOM 232 CB ILE A 188 -2.049 -3.041 -1.773 1.00 0.00 C ATOM 233 CG1 ILE A 188 -1.761 -4.285 -0.871 1.00 0.00 C ATOM 234 CG2 ILE A 188 -3.386 -3.291 -2.525 1.00 0.00 C ATOM 235 CD1 ILE A 188 -1.370 -5.594 -1.588 1.00 0.00 C ATOM 0 H ILE A 188 0.386 -1.952 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 188 -0.833 -3.402 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 188 -2.138 -2.177 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -0.959 -4.024 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 188 -2.649 -4.480 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -4.151 -3.600 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -3.702 -2.373 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -3.244 -4.075 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 188 -1.198 -6.376 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 188 -2.176 -5.897 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -0.460 -5.434 -2.166 1.00 0.00 H new ATOM 247 N GLU A 189 -0.182 -1.184 -4.685 1.00 0.00 N ATOM 248 CA GLU A 189 -0.226 -0.058 -5.658 1.00 0.00 C ATOM 249 C GLU A 189 -1.267 -0.237 -6.805 1.00 0.00 C ATOM 250 O GLU A 189 -2.142 0.584 -7.068 1.00 0.00 O ATOM 251 CB GLU A 189 1.200 0.221 -6.216 1.00 0.00 C ATOM 252 CG GLU A 189 2.256 0.668 -5.168 1.00 0.00 C ATOM 253 CD GLU A 189 3.493 1.380 -5.711 1.00 0.00 C ATOM 254 OE1 GLU A 189 3.454 2.436 -6.333 1.00 0.00 O ATOM 255 OE2 GLU A 189 4.647 0.734 -5.397 1.00 0.00 O ATOM 0 H GLU A 189 0.617 -1.804 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.576 0.813 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 189 1.562 -0.683 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 189 1.126 0.992 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 189 1.768 1.329 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 189 2.584 -0.213 -4.616 1.00 0.00 H new TER 263 GLU A 189