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= 0.875 USER MOD Single : A 179 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 184 SER OG : rot -20:sc= 0.0827 USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 171 5.298 -1.192 4.400 1.00 0.00 N ATOM 2 CA VAL A 171 4.606 -0.354 3.394 1.00 0.00 C ATOM 3 C VAL A 171 3.208 -0.950 2.958 1.00 0.00 C ATOM 4 O VAL A 171 3.096 -1.471 1.842 1.00 0.00 O ATOM 5 CB VAL A 171 5.637 -0.076 2.247 1.00 0.00 C ATOM 6 CG1 VAL A 171 6.778 0.893 2.633 1.00 0.00 C ATOM 7 CG2 VAL A 171 6.254 -1.291 1.511 1.00 0.00 C ATOM 0 HA VAL A 171 4.303 0.608 3.807 1.00 0.00 H new ATOM 0 HB VAL A 171 4.962 0.396 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.444 1.028 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 171 6.356 1.856 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.339 0.479 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 171 6.947 -0.940 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 171 6.789 -1.916 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 171 5.461 -1.874 1.042 1.00 0.00 H new ATOM 17 N PRO A 172 2.095 -0.865 3.761 1.00 0.00 N ATOM 18 CA PRO A 172 0.762 -1.380 3.341 1.00 0.00 C ATOM 19 C PRO A 172 -0.200 -0.281 2.765 1.00 0.00 C ATOM 20 O PRO A 172 -0.659 0.619 3.479 1.00 0.00 O ATOM 21 CB PRO A 172 0.276 -2.017 4.657 1.00 0.00 C ATOM 22 CG PRO A 172 0.859 -1.149 5.776 1.00 0.00 C ATOM 23 CD PRO A 172 2.160 -0.573 5.212 1.00 0.00 C ATOM 0 HA PRO A 172 0.798 -2.072 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -0.813 -2.037 4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 172 0.618 -3.048 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 172 0.168 -0.355 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 172 1.048 -1.739 6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 172 2.234 0.498 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 172 3.032 -1.037 5.672 1.00 0.00 H new ATOM 31 N CYS A 173 -0.557 -0.400 1.474 1.00 0.00 N ATOM 32 CA CYS A 173 -1.515 0.508 0.771 1.00 0.00 C ATOM 33 C CYS A 173 -2.948 0.661 1.398 1.00 0.00 C ATOM 34 O CYS A 173 -3.538 1.742 1.304 1.00 0.00 O ATOM 35 CB CYS A 173 -1.482 0.069 -0.699 1.00 0.00 C ATOM 36 SG CYS A 173 -0.490 1.104 -1.774 1.00 0.00 S ATOM 0 H CYS A 173 -0.190 -1.136 0.871 1.00 0.00 H new ATOM 0 HA CYS A 173 -1.191 1.542 0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 173 -1.102 -0.951 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 173 -2.503 0.048 -1.080 1.00 0.00 H new ATOM 41 N SER A 174 -3.478 -0.385 2.063 1.00 0.00 N ATOM 42 CA SER A 174 -4.711 -0.286 2.908 1.00 0.00 C ATOM 43 C SER A 174 -4.755 0.830 4.008 1.00 0.00 C ATOM 44 O SER A 174 -5.817 1.360 4.337 1.00 0.00 O ATOM 45 CB SER A 174 -4.988 -1.685 3.508 1.00 0.00 C ATOM 46 OG SER A 174 -3.933 -2.129 4.371 1.00 0.00 O ATOM 0 H SER A 174 -3.075 -1.322 2.038 1.00 0.00 H new ATOM 0 HA SER A 174 -5.501 0.045 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 174 -5.924 -1.659 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 174 -5.119 -2.404 2.700 1.00 0.00 H new ATOM 0 HG SER A 174 -4.153 -3.015 4.727 1.00 0.00 H new ATOM 52 N THR A 175 -3.583 1.180 4.534 1.00 0.00 N ATOM 53 CA THR A 175 -3.391 2.249 5.556 1.00 0.00 C ATOM 54 C THR A 175 -3.102 3.673 4.959 1.00 0.00 C ATOM 55 O THR A 175 -3.368 4.678 5.621 1.00 0.00 O ATOM 56 CB THR A 175 -2.310 1.767 6.572 1.00 0.00 C ATOM 57 OG1 THR A 175 -1.002 1.811 6.006 1.00 0.00 O ATOM 58 CG2 THR A 175 -2.547 0.336 7.104 1.00 0.00 C ATOM 0 H THR A 175 -2.709 0.727 4.266 1.00 0.00 H new ATOM 0 HA THR A 175 -4.336 2.400 6.079 1.00 0.00 H new ATOM 0 HB THR A 175 -2.394 2.463 7.407 1.00 0.00 H new ATOM 0 HG1 THR A 175 -1.008 1.366 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 175 -1.755 0.072 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 175 -3.510 0.292 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.543 -0.367 6.271 1.00 0.00 H new ATOM 66 N CYS A 176 -2.553 3.774 3.728 1.00 0.00 N ATOM 67 CA CYS A 176 -2.403 5.050 2.994 1.00 0.00 C ATOM 68 C CYS A 176 -3.771 5.640 2.515 1.00 0.00 C ATOM 69 O CYS A 176 -3.978 6.851 2.595 1.00 0.00 O ATOM 70 CB CYS A 176 -1.413 4.689 1.874 1.00 0.00 C ATOM 71 SG CYS A 176 0.147 4.144 2.597 1.00 0.00 S ATOM 0 H CYS A 176 -2.200 2.968 3.213 1.00 0.00 H new ATOM 0 HA CYS A 176 -2.026 5.869 3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -1.830 3.901 1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -1.245 5.553 1.231 1.00 0.00 H new ATOM 76 N GLU A 177 -4.684 4.780 2.013 1.00 0.00 N ATOM 77 CA GLU A 177 -6.111 5.095 1.725 1.00 0.00 C ATOM 78 C GLU A 177 -6.477 6.391 0.947 1.00 0.00 C ATOM 79 O GLU A 177 -7.405 7.136 1.270 1.00 0.00 O ATOM 80 CB GLU A 177 -6.932 4.852 3.024 1.00 0.00 C ATOM 81 CG GLU A 177 -6.721 5.813 4.228 1.00 0.00 C ATOM 82 CD GLU A 177 -7.528 5.444 5.465 1.00 0.00 C ATOM 83 OE1 GLU A 177 -8.565 6.005 5.804 1.00 0.00 O ATOM 84 OE2 GLU A 177 -6.968 4.418 6.161 1.00 0.00 O ATOM 0 H GLU A 177 -4.446 3.814 1.788 1.00 0.00 H new ATOM 0 HA GLU A 177 -6.402 4.400 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -7.989 4.881 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -6.718 3.840 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -5.663 5.826 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -6.986 6.825 3.922 1.00 0.00 H new ATOM 92 N GLY A 178 -5.745 6.581 -0.149 1.00 0.00 N ATOM 93 CA GLY A 178 -5.862 7.794 -0.978 1.00 0.00 C ATOM 94 C GLY A 178 -4.754 8.862 -0.834 1.00 0.00 C ATOM 95 O GLY A 178 -4.780 9.848 -1.571 1.00 0.00 O ATOM 0 H GLY A 178 -5.058 5.909 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -5.899 7.486 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -6.817 8.267 -0.751 1.00 0.00 H new ATOM 99 N ASN A 179 -3.770 8.678 0.068 1.00 0.00 N ATOM 100 CA ASN A 179 -2.612 9.586 0.183 1.00 0.00 C ATOM 101 C ASN A 179 -1.585 9.079 -0.814 1.00 0.00 C ATOM 102 O ASN A 179 -0.923 8.054 -0.621 1.00 0.00 O ATOM 103 CB ASN A 179 -1.997 9.499 1.594 1.00 0.00 C ATOM 104 CG ASN A 179 -1.114 10.685 1.947 1.00 0.00 C ATOM 105 OD1 ASN A 179 0.049 10.761 1.570 1.00 0.00 O ATOM 106 ND2 ASN A 179 -1.643 11.652 2.642 1.00 0.00 N ATOM 0 H ASN A 179 -3.755 7.903 0.731 1.00 0.00 H new ATOM 0 HA ASN A 179 -2.910 10.618 -0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 179 -2.800 9.424 2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 179 -1.409 8.584 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 179 -1.088 12.476 2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 179 -2.612 11.585 2.954 1.00 0.00 H new ATOM 113 N LEU A 180 -1.434 9.828 -1.881 1.00 0.00 N ATOM 114 CA LEU A 180 -0.617 9.360 -2.993 1.00 0.00 C ATOM 115 C LEU A 180 0.918 9.154 -2.783 1.00 0.00 C ATOM 116 O LEU A 180 1.545 8.368 -3.486 1.00 0.00 O ATOM 117 CB LEU A 180 -1.021 10.288 -4.143 1.00 0.00 C ATOM 118 CG LEU A 180 -2.209 9.861 -5.014 1.00 0.00 C ATOM 119 CD1 LEU A 180 -2.637 10.992 -5.961 1.00 0.00 C ATOM 120 CD2 LEU A 180 -1.953 8.579 -5.828 1.00 0.00 C ATOM 0 H LEU A 180 -1.854 10.748 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 180 -0.826 8.308 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 180 -1.248 11.267 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 180 -0.155 10.414 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 180 -3.014 9.640 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 180 -3.481 10.660 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 180 -2.930 11.864 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 180 -1.804 11.255 -6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 180 -2.837 8.340 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 180 -1.103 8.734 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 180 -1.737 7.754 -5.149 1.00 0.00 H new ATOM 132 N ALA A 181 1.473 9.841 -1.790 1.00 0.00 N ATOM 133 CA ALA A 181 2.835 9.590 -1.273 1.00 0.00 C ATOM 134 C ALA A 181 2.935 8.287 -0.412 1.00 0.00 C ATOM 135 O ALA A 181 3.810 7.465 -0.670 1.00 0.00 O ATOM 136 CB ALA A 181 3.270 10.815 -0.480 1.00 0.00 C ATOM 0 H ALA A 181 0.992 10.600 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 181 3.504 9.424 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 181 4.274 10.656 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 181 3.270 11.689 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 181 2.578 10.978 0.346 1.00 0.00 H new ATOM 142 N CYS A 182 2.041 8.085 0.583 1.00 0.00 N ATOM 143 CA CYS A 182 1.916 6.792 1.326 1.00 0.00 C ATOM 144 C CYS A 182 1.692 5.551 0.405 1.00 0.00 C ATOM 145 O CYS A 182 2.341 4.509 0.519 1.00 0.00 O ATOM 146 CB CYS A 182 0.861 7.050 2.394 1.00 0.00 C ATOM 147 SG CYS A 182 0.820 5.721 3.605 1.00 0.00 S ATOM 0 H CYS A 182 1.387 8.802 0.898 1.00 0.00 H new ATOM 0 HA CYS A 182 2.850 6.496 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 182 1.071 7.995 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -0.118 7.148 1.925 1.00 0.00 H new ATOM 152 N LEU A 183 0.775 5.734 -0.539 1.00 0.00 N ATOM 153 CA LEU A 183 0.517 4.823 -1.656 1.00 0.00 C ATOM 154 C LEU A 183 1.700 4.580 -2.649 1.00 0.00 C ATOM 155 O LEU A 183 1.850 3.470 -3.155 1.00 0.00 O ATOM 156 CB LEU A 183 -0.712 5.449 -2.317 1.00 0.00 C ATOM 157 CG LEU A 183 -2.085 5.323 -1.657 1.00 0.00 C ATOM 158 CD1 LEU A 183 -3.109 6.015 -2.565 1.00 0.00 C ATOM 159 CD2 LEU A 183 -2.515 3.854 -1.470 1.00 0.00 C ATOM 0 H LEU A 183 0.166 6.552 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 183 0.367 3.803 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -0.508 6.513 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -0.793 5.024 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 183 -2.032 5.781 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -4.100 5.941 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.841 7.065 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.114 5.532 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.497 3.820 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.563 3.362 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -1.790 3.340 -0.839 1.00 0.00 H new ATOM 171 N SER A 184 2.516 5.610 -2.913 1.00 0.00 N ATOM 172 CA SER A 184 3.806 5.448 -3.655 1.00 0.00 C ATOM 173 C SER A 184 4.913 4.639 -2.882 1.00 0.00 C ATOM 174 O SER A 184 5.848 4.144 -3.517 1.00 0.00 O ATOM 175 CB SER A 184 4.331 6.832 -4.093 1.00 0.00 C ATOM 176 OG SER A 184 5.487 6.695 -4.925 1.00 0.00 O ATOM 0 H SER A 184 2.319 6.570 -2.630 1.00 0.00 H new ATOM 0 HA SER A 184 3.580 4.838 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 184 3.550 7.368 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 184 4.578 7.427 -3.214 1.00 0.00 H new ATOM 0 HG SER A 184 5.884 5.809 -4.790 1.00 0.00 H new ATOM 182 N LEU A 185 4.848 4.547 -1.538 1.00 0.00 N ATOM 183 CA LEU A 185 5.713 3.625 -0.738 1.00 0.00 C ATOM 184 C LEU A 185 5.244 2.148 -0.851 1.00 0.00 C ATOM 185 O LEU A 185 6.064 1.242 -1.029 1.00 0.00 O ATOM 186 CB LEU A 185 5.806 4.098 0.743 1.00 0.00 C ATOM 187 CG LEU A 185 6.196 5.570 1.017 1.00 0.00 C ATOM 188 CD1 LEU A 185 6.079 5.892 2.514 1.00 0.00 C ATOM 189 CD2 LEU A 185 7.615 5.906 0.529 1.00 0.00 C ATOM 0 H LEU A 185 4.204 5.100 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 185 6.718 3.663 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 185 4.839 3.917 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 185 6.530 3.461 1.251 1.00 0.00 H new ATOM 0 HG LEU A 185 5.496 6.186 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 185 6.358 6.932 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 185 5.051 5.733 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 185 6.745 5.240 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 185 7.837 6.951 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 185 8.336 5.268 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 185 7.680 5.737 -0.546 1.00 0.00 H new ATOM 201 N CYS A 186 3.931 1.909 -0.731 1.00 0.00 N ATOM 202 CA CYS A 186 3.342 0.598 -0.913 1.00 0.00 C ATOM 203 C CYS A 186 3.072 0.120 -2.382 1.00 0.00 C ATOM 204 O CYS A 186 3.241 0.801 -3.396 1.00 0.00 O ATOM 205 CB CYS A 186 2.037 0.664 -0.101 1.00 0.00 C ATOM 206 SG CYS A 186 0.948 1.897 -0.680 1.00 0.00 S ATOM 0 H CYS A 186 3.251 2.634 -0.503 1.00 0.00 H new ATOM 0 HA CYS A 186 4.059 -0.153 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 186 1.538 -0.304 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 186 2.274 0.856 0.945 1.00 0.00 H new ATOM 211 N HIS A 187 2.546 -1.102 -2.418 1.00 0.00 N ATOM 212 CA HIS A 187 2.130 -1.811 -3.651 1.00 0.00 C ATOM 213 C HIS A 187 0.595 -1.576 -3.827 1.00 0.00 C ATOM 214 O HIS A 187 -0.212 -2.015 -3.000 1.00 0.00 O ATOM 215 CB HIS A 187 2.476 -3.334 -3.598 1.00 0.00 C ATOM 216 CG HIS A 187 3.603 -3.829 -2.680 1.00 0.00 C ATOM 217 ND1 HIS A 187 4.900 -3.358 -2.796 1.00 0.00 N ATOM 218 CD2 HIS A 187 3.369 -4.319 -1.382 1.00 0.00 C ATOM 219 CE1 HIS A 187 5.321 -3.555 -1.511 1.00 0.00 C ATOM 220 NE2 HIS A 187 4.501 -4.170 -0.603 1.00 0.00 N ATOM 0 H HIS A 187 2.388 -1.651 -1.573 1.00 0.00 H new ATOM 0 HA HIS A 187 2.676 -1.418 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 187 1.567 -3.864 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 187 2.722 -3.647 -4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 187 2.438 -4.750 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 187 6.304 -3.224 -1.210 1.00 0.00 H new ATOM 0 HE2 HIS A 187 4.675 -4.439 0.365 1.00 0.00 H new ATOM 228 N ILE A 188 0.187 -0.934 -4.927 1.00 0.00 N ATOM 229 CA ILE A 188 -1.248 -0.533 -5.134 1.00 0.00 C ATOM 230 C ILE A 188 -2.054 -1.638 -5.915 1.00 0.00 C ATOM 231 O ILE A 188 -3.130 -2.026 -5.456 1.00 0.00 O ATOM 232 CB ILE A 188 -1.354 0.898 -5.785 1.00 0.00 C ATOM 233 CG1 ILE A 188 -0.567 2.035 -5.056 1.00 0.00 C ATOM 234 CG2 ILE A 188 -2.829 1.363 -5.949 1.00 0.00 C ATOM 235 CD1 ILE A 188 -0.284 3.285 -5.911 1.00 0.00 C ATOM 0 H ILE A 188 0.808 -0.674 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 188 -1.723 -0.457 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 188 -0.880 0.750 -6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -1.130 2.337 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 188 0.383 1.631 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -2.850 2.354 -6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -3.363 0.661 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -3.310 1.400 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 188 0.266 4.015 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 188 0.310 3.004 -6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -1.227 3.721 -6.241 1.00 0.00 H new ATOM 247 N GLU A 189 -1.563 -2.123 -7.075 1.00 0.00 N ATOM 248 CA GLU A 189 -2.191 -3.220 -7.875 1.00 0.00 C ATOM 249 C GLU A 189 -3.524 -2.810 -8.575 1.00 0.00 C ATOM 250 O GLU A 189 -3.582 -2.381 -9.724 1.00 0.00 O ATOM 251 CB GLU A 189 -2.264 -4.581 -7.105 1.00 0.00 C ATOM 252 CG GLU A 189 -0.966 -5.112 -6.430 1.00 0.00 C ATOM 253 CD GLU A 189 0.242 -5.299 -7.343 1.00 0.00 C ATOM 254 OE1 GLU A 189 1.085 -4.432 -7.545 1.00 0.00 O ATOM 255 OE2 GLU A 189 0.282 -6.535 -7.907 1.00 0.00 O ATOM 0 H GLU A 189 -0.706 -1.764 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 189 -1.503 -3.401 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -3.027 -4.486 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.611 -5.342 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.689 -4.423 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 189 -1.192 -6.069 -5.960 1.00 0.00 H new TER 263 GLU A 189