USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 138 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 1 TYR N :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -115:sc= -0.0275 (180deg=-0.404) USER MOD Single : A 9 LYS NZ :NH3+ 127:sc= -0.131 (180deg=-1.12) USER MOD Single : A 10 LYS NZ :NH3+ -154:sc= -0.117 (180deg=-0.317) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 5.567 0.516 6.126 1.00 0.00 N ATOM 2 CA TYR A 1 6.165 1.557 5.241 1.00 0.00 C ATOM 3 C TYR A 1 7.422 1.034 4.587 1.00 0.00 C ATOM 4 O TYR A 1 7.665 1.226 3.414 1.00 0.00 O ATOM 5 CB TYR A 1 6.538 2.700 6.164 1.00 0.00 C ATOM 6 CG TYR A 1 5.959 3.967 5.596 1.00 0.00 C ATOM 7 CD1 TYR A 1 5.936 4.135 4.209 1.00 0.00 C ATOM 8 CD2 TYR A 1 5.446 4.961 6.433 1.00 0.00 C ATOM 9 CE1 TYR A 1 5.403 5.292 3.649 1.00 0.00 C ATOM 10 CE2 TYR A 1 4.910 6.129 5.876 1.00 0.00 C ATOM 11 CZ TYR A 1 4.887 6.295 4.481 1.00 0.00 C ATOM 12 OH TYR A 1 4.358 7.445 3.932 1.00 0.00 O ATOM 0 H1 TYR A 1 4.615 0.815 6.420 1.00 0.00 H new ATOM 0 H2 TYR A 1 5.502 -0.384 5.609 1.00 0.00 H new ATOM 0 H3 TYR A 1 6.166 0.390 6.967 1.00 0.00 H new ATOM 0 HA TYR A 1 5.472 1.854 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 1 6.151 2.521 7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 1 7.622 2.782 6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 1 6.334 3.362 3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 1 5.463 4.829 7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 1 5.387 5.417 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 1 4.515 6.902 6.519 1.00 0.00 H new ATOM 0 HH TYR A 1 4.044 8.035 4.649 1.00 0.00 H new ATOM 24 N LEU A 2 8.225 0.381 5.356 1.00 0.00 N ATOM 25 CA LEU A 2 9.494 -0.176 4.832 1.00 0.00 C ATOM 26 C LEU A 2 9.288 -0.870 3.495 1.00 0.00 C ATOM 27 O LEU A 2 10.219 -1.143 2.783 1.00 0.00 O ATOM 28 CB LEU A 2 9.957 -1.132 5.897 1.00 0.00 C ATOM 29 CG LEU A 2 10.592 -0.292 6.990 1.00 0.00 C ATOM 30 CD1 LEU A 2 9.611 -0.131 8.141 1.00 0.00 C ATOM 31 CD2 LEU A 2 11.867 -0.965 7.487 1.00 0.00 C ATOM 0 H LEU A 2 8.057 0.203 6.346 1.00 0.00 H new ATOM 0 HA LEU A 2 10.235 0.599 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.120 -1.709 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.674 -1.846 5.491 1.00 0.00 H new ATOM 0 HG LEU A 2 10.843 0.690 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.067 0.472 8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.708 0.362 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.354 -1.112 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.318 -0.357 8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.627 -1.951 7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.569 -1.069 6.660 1.00 0.00 H new ATOM 43 N ARG A 3 8.080 -1.144 3.132 1.00 0.00 N ATOM 44 CA ARG A 3 7.846 -1.787 1.824 1.00 0.00 C ATOM 45 C ARG A 3 8.518 -0.960 0.738 1.00 0.00 C ATOM 46 O ARG A 3 9.247 -1.471 -0.089 1.00 0.00 O ATOM 47 CB ARG A 3 6.323 -1.781 1.657 1.00 0.00 C ATOM 48 CG ARG A 3 5.719 -3.127 2.089 1.00 0.00 C ATOM 49 CD ARG A 3 6.612 -4.288 1.640 1.00 0.00 C ATOM 50 NE ARG A 3 7.468 -4.587 2.826 1.00 0.00 N ATOM 51 CZ ARG A 3 7.198 -5.620 3.575 1.00 0.00 C ATOM 52 NH1 ARG A 3 7.272 -6.824 3.079 1.00 0.00 N ATOM 53 NH2 ARG A 3 6.853 -5.447 4.822 1.00 0.00 N ATOM 0 H ARG A 3 7.243 -0.951 3.683 1.00 0.00 H new ATOM 0 HA ARG A 3 8.251 -2.797 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.891 -0.976 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.068 -1.581 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.603 -3.149 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.724 -3.240 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.019 -5.155 1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.216 -4.012 0.775 1.00 0.00 H new ATOM 0 HE ARG A 3 8.261 -3.986 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.541 -6.958 2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.061 -7.631 3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.795 -4.505 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.641 -6.254 5.409 1.00 0.00 H new ATOM 67 N ARG A 4 8.285 0.316 0.740 1.00 0.00 N ATOM 68 CA ARG A 4 8.916 1.179 -0.281 1.00 0.00 C ATOM 69 C ARG A 4 10.206 1.784 0.257 1.00 0.00 C ATOM 70 O ARG A 4 11.027 2.287 -0.484 1.00 0.00 O ATOM 71 CB ARG A 4 7.891 2.267 -0.595 1.00 0.00 C ATOM 72 CG ARG A 4 7.513 2.986 0.698 1.00 0.00 C ATOM 73 CD ARG A 4 7.942 4.452 0.617 1.00 0.00 C ATOM 74 NE ARG A 4 8.989 4.603 1.667 1.00 0.00 N ATOM 75 CZ ARG A 4 9.490 5.782 1.921 1.00 0.00 C ATOM 76 NH1 ARG A 4 10.507 6.221 1.233 1.00 0.00 N ATOM 77 NH2 ARG A 4 8.970 6.521 2.864 1.00 0.00 N ATOM 0 H ARG A 4 7.683 0.799 1.407 1.00 0.00 H new ATOM 0 HA ARG A 4 9.184 0.618 -1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.303 2.976 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.005 1.828 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.437 2.920 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.994 2.503 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.335 4.695 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.101 5.121 0.799 1.00 0.00 H new ATOM 0 HE ARG A 4 9.314 3.787 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.912 5.643 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.898 7.142 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.174 6.177 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.360 7.442 3.064 1.00 0.00 H new ATOM 91 N PHE A 5 10.399 1.731 1.540 1.00 0.00 N ATOM 92 CA PHE A 5 11.621 2.281 2.125 1.00 0.00 C ATOM 93 C PHE A 5 12.738 1.244 2.007 1.00 0.00 C ATOM 94 O PHE A 5 13.904 1.538 2.175 1.00 0.00 O ATOM 95 CB PHE A 5 11.196 2.550 3.569 1.00 0.00 C ATOM 96 CG PHE A 5 12.238 2.057 4.548 1.00 0.00 C ATOM 97 CD1 PHE A 5 12.507 0.688 4.638 1.00 0.00 C ATOM 98 CD2 PHE A 5 12.926 2.963 5.360 1.00 0.00 C ATOM 99 CE1 PHE A 5 13.470 0.221 5.539 1.00 0.00 C ATOM 100 CE2 PHE A 5 13.888 2.497 6.266 1.00 0.00 C ATOM 101 CZ PHE A 5 14.160 1.126 6.355 1.00 0.00 C ATOM 0 H PHE A 5 9.746 1.322 2.208 1.00 0.00 H new ATOM 0 HA PHE A 5 12.013 3.179 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 5 11.037 3.619 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.244 2.057 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.971 -0.010 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 5 12.717 4.020 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 5 13.681 -0.836 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 5 14.420 3.195 6.896 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.902 0.767 7.053 1.00 0.00 H new ATOM 111 N PHE A 6 12.370 0.027 1.731 1.00 0.00 N ATOM 112 CA PHE A 6 13.376 -1.055 1.610 1.00 0.00 C ATOM 113 C PHE A 6 13.791 -1.206 0.150 1.00 0.00 C ATOM 114 O PHE A 6 14.923 -0.954 -0.216 1.00 0.00 O ATOM 115 CB PHE A 6 12.657 -2.296 2.109 1.00 0.00 C ATOM 116 CG PHE A 6 13.661 -3.357 2.514 1.00 0.00 C ATOM 117 CD1 PHE A 6 15.027 -3.175 2.261 1.00 0.00 C ATOM 118 CD2 PHE A 6 13.218 -4.529 3.141 1.00 0.00 C ATOM 119 CE1 PHE A 6 15.947 -4.162 2.635 1.00 0.00 C ATOM 120 CE2 PHE A 6 14.138 -5.516 3.514 1.00 0.00 C ATOM 121 CZ PHE A 6 15.502 -5.331 3.261 1.00 0.00 C ATOM 0 H PHE A 6 11.404 -0.265 1.583 1.00 0.00 H new ATOM 0 HA PHE A 6 14.287 -0.862 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.024 -2.041 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.002 -2.684 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.371 -2.273 1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.165 -4.671 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 6 17.000 -4.021 2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.795 -6.419 3.997 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.212 -6.092 3.550 1.00 0.00 H new ATOM 131 N LYS A 7 12.878 -1.601 -0.694 1.00 0.00 N ATOM 132 CA LYS A 7 13.215 -1.747 -2.129 1.00 0.00 C ATOM 133 C LYS A 7 13.850 -0.453 -2.636 1.00 0.00 C ATOM 134 O LYS A 7 14.692 -0.462 -3.512 1.00 0.00 O ATOM 135 CB LYS A 7 11.890 -2.006 -2.825 1.00 0.00 C ATOM 136 CG LYS A 7 12.136 -2.297 -4.306 1.00 0.00 C ATOM 137 CD LYS A 7 11.135 -1.510 -5.154 1.00 0.00 C ATOM 138 CE LYS A 7 10.551 -2.428 -6.231 1.00 0.00 C ATOM 139 NZ LYS A 7 9.635 -3.350 -5.501 1.00 0.00 N ATOM 0 H LYS A 7 11.915 -1.828 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 7 13.926 -2.552 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.381 -2.849 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.236 -1.140 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.155 -2.021 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.033 -3.365 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.337 -1.117 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.627 -0.654 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.014 -1.856 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.337 -2.980 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.998 -4.323 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.581 -3.066 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.687 -3.305 -5.925 1.00 0.00 H new ATOM 153 N ALA A 8 13.455 0.666 -2.082 1.00 0.00 N ATOM 154 CA ALA A 8 14.033 1.954 -2.519 1.00 0.00 C ATOM 155 C ALA A 8 15.527 1.967 -2.233 1.00 0.00 C ATOM 156 O ALA A 8 16.298 1.513 -3.035 1.00 0.00 O ATOM 157 CB ALA A 8 13.309 3.024 -1.702 1.00 0.00 C ATOM 0 H ALA A 8 12.754 0.734 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 8 13.910 2.125 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.688 4.009 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.240 2.977 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.482 2.850 -0.640 1.00 0.00 H new ATOM 163 N LYS A 9 15.934 2.483 -1.104 1.00 0.00 N ATOM 164 CA LYS A 9 17.380 2.541 -0.770 1.00 0.00 C ATOM 165 C LYS A 9 18.139 1.343 -1.352 1.00 0.00 C ATOM 166 O LYS A 9 19.152 1.510 -1.996 1.00 0.00 O ATOM 167 CB LYS A 9 17.415 2.508 0.759 1.00 0.00 C ATOM 168 CG LYS A 9 17.664 3.919 1.298 1.00 0.00 C ATOM 169 CD LYS A 9 16.420 4.404 2.045 1.00 0.00 C ATOM 170 CE LYS A 9 16.301 3.662 3.380 1.00 0.00 C ATOM 171 NZ LYS A 9 17.434 4.163 4.207 1.00 0.00 N ATOM 0 H LYS A 9 15.315 2.871 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 9 17.859 3.427 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.472 2.121 1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.200 1.834 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.526 3.918 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.897 4.598 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.483 5.478 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.530 4.231 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.343 3.865 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.364 2.583 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.073 4.503 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.114 3.392 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.908 4.944 3.710 1.00 0.00 H new ATOM 185 N LYS A 10 17.662 0.148 -1.140 1.00 0.00 N ATOM 186 CA LYS A 10 18.373 -1.050 -1.685 1.00 0.00 C ATOM 187 C LYS A 10 18.987 -0.745 -3.059 1.00 0.00 C ATOM 188 O LYS A 10 20.164 -0.947 -3.279 1.00 0.00 O ATOM 189 CB LYS A 10 17.293 -2.126 -1.810 1.00 0.00 C ATOM 190 CG LYS A 10 17.154 -2.864 -0.479 1.00 0.00 C ATOM 191 CD LYS A 10 16.344 -4.144 -0.688 1.00 0.00 C ATOM 192 CE LYS A 10 17.297 -5.310 -0.952 1.00 0.00 C ATOM 193 NZ LYS A 10 17.158 -5.600 -2.407 1.00 0.00 N ATOM 0 H LYS A 10 16.812 -0.054 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 10 19.195 -1.361 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.342 -1.671 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.554 -2.828 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.139 -3.105 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.661 -2.225 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.735 -4.350 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.660 -4.022 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.324 -5.046 -0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.034 -6.179 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.400 -6.595 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.177 -5.423 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.800 -4.985 -2.946 1.00 0.00 H new ATOM 207 N LEU A 11 18.199 -0.270 -3.984 1.00 0.00 N ATOM 208 CA LEU A 11 18.729 0.036 -5.335 1.00 0.00 C ATOM 209 C LEU A 11 19.037 1.536 -5.482 1.00 0.00 C ATOM 210 O LEU A 11 19.764 1.950 -6.364 1.00 0.00 O ATOM 211 CB LEU A 11 17.602 -0.369 -6.287 1.00 0.00 C ATOM 212 CG LEU A 11 17.585 -1.890 -6.463 1.00 0.00 C ATOM 213 CD1 LEU A 11 17.655 -2.582 -5.101 1.00 0.00 C ATOM 214 CD2 LEU A 11 16.292 -2.299 -7.165 1.00 0.00 C ATOM 0 H LEU A 11 17.205 -0.081 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 11 19.662 -0.490 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.644 -0.030 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.740 0.116 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 11 18.448 -2.188 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.642 -3.663 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.575 -2.293 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.798 -2.284 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.274 -3.381 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.438 -1.991 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.240 -1.817 -8.141 1.00 0.00 H new ATOM 226 N ILE A 12 18.464 2.349 -4.636 1.00 0.00 N ATOM 227 CA ILE A 12 18.673 3.815 -4.711 1.00 0.00 C ATOM 228 C ILE A 12 19.002 4.391 -3.341 1.00 0.00 C ATOM 229 O ILE A 12 18.453 5.394 -2.928 1.00 0.00 O ATOM 230 CB ILE A 12 17.343 4.347 -5.203 1.00 0.00 C ATOM 231 CG1 ILE A 12 16.279 4.157 -4.121 1.00 0.00 C ATOM 232 CG2 ILE A 12 16.929 3.572 -6.449 1.00 0.00 C ATOM 233 CD1 ILE A 12 15.189 5.195 -4.343 1.00 0.00 C ATOM 0 H ILE A 12 17.847 2.047 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 12 19.506 4.084 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 12 17.439 5.408 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.862 3.151 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.719 4.273 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 15.972 3.948 -6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.685 3.699 -7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 12 16.834 2.514 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.417 5.080 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.619 6.194 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.749 5.055 -5.331 1.00 0.00 H new ATOM 245 N GLU A 13 19.870 3.763 -2.624 1.00 0.00 N ATOM 246 CA GLU A 13 20.201 4.266 -1.270 1.00 0.00 C ATOM 247 C GLU A 13 20.638 5.733 -1.312 1.00 0.00 C ATOM 248 O GLU A 13 20.541 6.389 -0.288 1.00 0.00 O ATOM 249 CB GLU A 13 21.323 3.382 -0.781 1.00 0.00 C ATOM 250 CG GLU A 13 20.665 2.210 -0.085 1.00 0.00 C ATOM 251 CD GLU A 13 21.323 1.967 1.273 1.00 0.00 C ATOM 252 OE1 GLU A 13 21.028 2.711 2.194 1.00 0.00 O ATOM 253 OE2 GLU A 13 22.113 1.043 1.370 1.00 0.00 O ATOM 254 OXT GLU A 13 21.063 6.175 -2.367 1.00 0.00 O ATOM 0 H GLU A 13 20.369 2.921 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 13 19.336 4.230 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.942 3.044 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 13 21.976 3.924 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.601 2.407 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.749 1.316 -0.703 1.00 0.00 H new TER 261 GLU A 13