USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 132 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD NoAdj-H: A 1 GLY H2 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 121:sc= 0.575 (180deg=-0.171) USER MOD Single : A 3 THR OG1 : rot 83:sc= 1.4 USER MOD Single : A 4 GLN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.381 21.906 18.676 1.00 0.00 N ATOM 2 CA GLY A 1 19.838 21.484 17.367 1.00 0.00 C ATOM 3 C GLY A 1 18.789 21.564 16.266 1.00 0.00 C ATOM 4 O GLY A 1 17.605 21.790 16.505 1.00 0.00 O ATOM 0 H3 GLY A 1 19.490 21.122 19.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.692 22.098 17.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.194 20.456 17.436 1.00 0.00 H new ATOM 8 N LEU A 2 19.238 21.336 15.030 1.00 0.00 N ATOM 9 CA LEU A 2 18.371 21.060 13.902 1.00 0.00 C ATOM 10 C LEU A 2 17.730 19.685 14.026 1.00 0.00 C ATOM 11 O LEU A 2 16.592 19.522 13.594 1.00 0.00 O ATOM 12 CB LEU A 2 19.241 21.150 12.651 1.00 0.00 C ATOM 13 CG LEU A 2 19.631 22.585 12.308 1.00 0.00 C ATOM 14 CD1 LEU A 2 20.885 22.557 11.439 1.00 0.00 C ATOM 15 CD2 LEU A 2 18.505 23.335 11.603 1.00 0.00 C ATOM 0 H LEU A 2 20.229 21.340 14.790 1.00 0.00 H new ATOM 0 HA LEU A 2 17.551 21.777 13.858 1.00 0.00 H new ATOM 0 HB2 LEU A 2 20.144 20.557 12.798 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.706 20.712 11.809 1.00 0.00 H new ATOM 0 HG LEU A 2 19.829 23.122 13.236 1.00 0.00 H new ATOM 0 HD11 LEU A 2 21.175 23.577 11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 2 21.695 22.074 11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 2 20.681 22.000 10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.829 24.351 11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 2 18.251 22.822 10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 2 17.629 23.368 12.250 1.00 0.00 H new ATOM 27 N THR A 3 18.441 18.712 14.601 1.00 0.00 N ATOM 28 CA THR A 3 18.083 17.363 14.990 1.00 0.00 C ATOM 29 C THR A 3 16.836 17.256 15.857 1.00 0.00 C ATOM 30 O THR A 3 16.183 18.230 16.222 1.00 0.00 O ATOM 31 CB THR A 3 19.267 16.598 15.575 1.00 0.00 C ATOM 32 OG1 THR A 3 20.264 17.500 16.000 1.00 0.00 O ATOM 33 CG2 THR A 3 19.970 15.818 14.467 1.00 0.00 C ATOM 0 H THR A 3 19.419 18.888 14.833 1.00 0.00 H new ATOM 0 HA THR A 3 17.805 16.873 14.057 1.00 0.00 H new ATOM 0 HB THR A 3 18.878 15.972 16.378 1.00 0.00 H new ATOM 0 HG1 THR A 3 20.047 17.828 16.898 1.00 0.00 H new ATOM 0 HG21 THR A 3 20.815 15.272 14.886 1.00 0.00 H new ATOM 0 HG22 THR A 3 19.270 15.114 14.018 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.327 16.511 13.705 1.00 0.00 H new ATOM 41 N GLN A 4 16.431 16.012 16.125 1.00 0.00 N ATOM 42 CA GLN A 4 15.167 15.623 16.714 1.00 0.00 C ATOM 43 C GLN A 4 15.326 14.790 17.979 1.00 0.00 C ATOM 44 O GLN A 4 14.312 14.354 18.520 1.00 0.00 O ATOM 45 CB GLN A 4 14.334 14.886 15.669 1.00 0.00 C ATOM 46 CG GLN A 4 14.140 15.588 14.328 1.00 0.00 C ATOM 47 CD GLN A 4 13.160 16.752 14.293 1.00 0.00 C ATOM 48 OE1 GLN A 4 12.090 16.669 13.696 1.00 0.00 O ATOM 49 NE2 GLN A 4 13.454 17.899 14.911 1.00 0.00 N ATOM 0 H GLN A 4 17.021 15.206 15.920 1.00 0.00 H new ATOM 0 HA GLN A 4 14.652 16.532 17.025 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.800 13.919 15.482 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.350 14.689 16.095 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.111 15.952 13.993 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.810 14.845 13.601 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.336 17.996 15.414 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.797 18.678 14.880 1.00 0.00 H new ATOM 58 N ILE A 5 16.550 14.551 18.453 1.00 0.00 N ATOM 59 CA ILE A 5 16.912 13.609 19.492 1.00 0.00 C ATOM 60 C ILE A 5 17.131 14.321 20.820 1.00 0.00 C ATOM 61 O ILE A 5 17.597 15.459 20.834 1.00 0.00 O ATOM 62 CB ILE A 5 18.115 12.805 19.006 1.00 0.00 C ATOM 63 CG1 ILE A 5 18.366 11.596 19.903 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.381 13.638 18.819 1.00 0.00 C ATOM 65 CD1 ILE A 5 19.314 10.554 19.316 1.00 0.00 C ATOM 0 H ILE A 5 17.363 15.049 18.091 1.00 0.00 H new ATOM 0 HA ILE A 5 16.102 12.906 19.686 1.00 0.00 H new ATOM 0 HB ILE A 5 17.854 12.449 18.009 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.772 11.943 20.853 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.411 11.117 20.121 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.191 12.996 18.472 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.197 14.420 18.082 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.660 14.094 19.769 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.433 9.732 20.022 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.902 10.173 18.381 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.285 11.012 19.125 1.00 0.00 H new ATOM 77 N GLN A 6 16.886 13.702 21.978 1.00 0.00 N ATOM 78 CA GLN A 6 16.597 14.459 23.178 1.00 0.00 C ATOM 79 C GLN A 6 17.828 14.888 23.961 1.00 0.00 C ATOM 80 O GLN A 6 18.393 14.104 24.720 1.00 0.00 O ATOM 81 CB GLN A 6 15.562 13.694 23.999 1.00 0.00 C ATOM 82 CG GLN A 6 15.252 14.402 25.315 1.00 0.00 C ATOM 83 CD GLN A 6 13.917 13.968 25.904 1.00 0.00 C ATOM 84 OE1 GLN A 6 13.758 12.861 26.413 1.00 0.00 O ATOM 85 NE2 GLN A 6 12.879 14.806 25.853 1.00 0.00 N ATOM 0 H GLN A 6 16.884 12.689 22.100 1.00 0.00 H new ATOM 0 HA GLN A 6 16.169 15.419 22.888 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.645 13.585 23.419 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.931 12.689 24.204 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.047 14.196 26.032 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.241 15.480 25.152 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.989 15.730 25.435 1.00 0.00 H new ATOM 0 HE22 GLN A 6 11.976 14.523 26.232 1.00 0.00 H new ATOM 94 N ALA A 7 18.261 16.130 23.729 1.00 0.00 N ATOM 95 CA ALA A 7 19.135 16.920 24.572 1.00 0.00 C ATOM 96 C ALA A 7 18.727 18.384 24.502 1.00 0.00 C ATOM 97 O ALA A 7 17.653 18.674 23.980 1.00 0.00 O ATOM 98 CB ALA A 7 20.578 16.624 24.173 1.00 0.00 C ATOM 0 H ALA A 7 17.986 16.636 22.887 1.00 0.00 H new ATOM 0 HA ALA A 7 19.047 16.656 25.626 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.255 17.209 24.796 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.783 15.563 24.312 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.728 16.889 23.126 1.00 0.00 H new ATOM 104 N LEU A 8 19.548 19.355 24.910 1.00 0.00 N ATOM 105 CA LEU A 8 19.332 20.762 24.644 1.00 0.00 C ATOM 106 C LEU A 8 20.198 21.287 23.507 1.00 0.00 C ATOM 107 O LEU A 8 21.281 20.750 23.287 1.00 0.00 O ATOM 108 CB LEU A 8 19.508 21.561 25.933 1.00 0.00 C ATOM 109 CG LEU A 8 18.277 22.310 26.432 1.00 0.00 C ATOM 110 CD1 LEU A 8 17.845 23.370 25.423 1.00 0.00 C ATOM 111 CD2 LEU A 8 17.103 21.385 26.737 1.00 0.00 C ATOM 0 H LEU A 8 20.397 19.171 25.445 1.00 0.00 H new ATOM 0 HA LEU A 8 18.306 20.889 24.298 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.836 20.879 26.717 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.311 22.283 25.782 1.00 0.00 H new ATOM 0 HG LEU A 8 18.568 22.788 27.367 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.965 23.893 25.798 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.656 24.084 25.275 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.605 22.892 24.473 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.256 21.975 27.088 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.820 20.846 25.833 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.393 20.672 27.509 1.00 0.00 H new ATOM 123 N ASP A 9 19.822 22.383 22.844 1.00 0.00 N ATOM 124 CA ASP A 9 20.379 22.868 21.598 1.00 0.00 C ATOM 125 C ASP A 9 21.313 24.059 21.761 1.00 0.00 C ATOM 126 O ASP A 9 21.088 24.891 22.637 1.00 0.00 O ATOM 127 CB ASP A 9 19.204 23.252 20.702 1.00 0.00 C ATOM 128 CG ASP A 9 19.533 23.115 19.222 1.00 0.00 C ATOM 129 OD1 ASP A 9 20.010 24.105 18.628 1.00 0.00 O ATOM 0 H ASP A 9 19.075 22.985 23.191 1.00 0.00 H new ATOM 0 HA ASP A 9 20.991 22.076 21.167 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.347 22.622 20.941 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.911 24.281 20.913 1.00 0.00 H new ATOM 134 N SER A 10 22.285 24.255 20.866 1.00 0.00 N ATOM 135 CA SER A 10 23.084 25.460 20.774 1.00 0.00 C ATOM 136 C SER A 10 22.265 26.699 20.442 1.00 0.00 C ATOM 137 O SER A 10 22.481 27.735 21.066 1.00 0.00 O ATOM 138 CB SER A 10 24.103 25.366 19.643 1.00 0.00 C ATOM 139 OG SER A 10 25.164 24.495 19.971 1.00 0.00 O ATOM 0 H SER A 10 22.538 23.554 20.170 1.00 0.00 H new ATOM 0 HA SER A 10 23.546 25.547 21.757 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.610 25.015 18.737 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.499 26.358 19.426 1.00 0.00 H new ATOM 0 HG SER A 10 25.798 24.456 19.225 1.00 0.00 H new ATOM 145 N VAL A 11 21.338 26.582 19.488 1.00 0.00 N ATOM 146 CA VAL A 11 20.640 27.701 18.889 1.00 0.00 C ATOM 147 C VAL A 11 19.176 27.733 19.304 1.00 0.00 C ATOM 148 O VAL A 11 18.758 28.661 19.996 1.00 0.00 O ATOM 149 CB VAL A 11 20.740 27.620 17.368 1.00 0.00 C ATOM 150 CG1 VAL A 11 20.000 28.772 16.695 1.00 0.00 C ATOM 151 CG2 VAL A 11 22.201 27.662 16.933 1.00 0.00 C ATOM 0 H VAL A 11 21.052 25.680 19.108 1.00 0.00 H new ATOM 0 HA VAL A 11 21.112 28.618 19.242 1.00 0.00 H new ATOM 0 HB VAL A 11 20.281 26.679 17.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.093 28.681 15.613 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.946 28.739 16.973 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.431 29.720 17.018 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.259 27.603 15.846 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.655 28.594 17.271 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.735 26.819 17.371 1.00 0.00 H new ATOM 161 N SER A 12 18.378 26.740 18.908 1.00 0.00 N ATOM 162 CA SER A 12 16.932 26.813 18.987 1.00 0.00 C ATOM 163 C SER A 12 16.325 25.424 19.116 1.00 0.00 C ATOM 164 O SER A 12 16.919 24.422 18.727 1.00 0.00 O ATOM 165 CB SER A 12 16.356 27.521 17.764 1.00 0.00 C ATOM 166 OG SER A 12 16.862 27.002 16.555 1.00 0.00 O ATOM 0 H SER A 12 18.726 25.862 18.523 1.00 0.00 H new ATOM 0 HA SER A 12 16.677 27.389 19.877 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.270 27.426 17.771 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.584 28.585 17.823 1.00 0.00 H new ATOM 0 HG SER A 12 16.464 27.484 15.800 1.00 0.00 H new ATOM 172 N GLY A 13 15.116 25.387 19.679 1.00 0.00 N ATOM 173 CA GLY A 13 14.435 24.163 20.051 1.00 0.00 C ATOM 174 C GLY A 13 15.062 23.496 21.267 1.00 0.00 C ATOM 175 O GLY A 13 15.901 24.006 22.007 1.00 0.00 O ATOM 0 H GLY A 13 14.579 26.228 19.890 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.388 24.382 20.260 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.454 23.470 19.210 1.00 0.00 H new ATOM 179 N GLN A 14 14.526 22.303 21.530 1.00 0.00 N ATOM 180 CA GLN A 14 14.758 21.455 22.682 1.00 0.00 C ATOM 181 C GLN A 14 15.200 20.049 22.304 1.00 0.00 C ATOM 182 O GLN A 14 14.819 19.068 22.938 1.00 0.00 O ATOM 183 CB GLN A 14 13.530 21.468 23.589 1.00 0.00 C ATOM 184 CG GLN A 14 12.233 21.015 22.926 1.00 0.00 C ATOM 185 CD GLN A 14 11.070 21.272 23.875 1.00 0.00 C ATOM 186 OE1 GLN A 14 10.677 20.443 24.692 1.00 0.00 O ATOM 187 NE2 GLN A 14 10.419 22.432 23.768 1.00 0.00 N ATOM 0 H GLN A 14 13.863 21.877 20.882 1.00 0.00 H new ATOM 0 HA GLN A 14 15.598 21.867 23.242 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.725 20.826 24.448 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.391 22.479 23.972 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.081 21.554 21.991 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.288 19.955 22.678 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.731 23.132 23.095 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.609 22.619 24.359 1.00 0.00 H new ATOM 196 N PHE A 15 16.040 19.911 21.275 1.00 0.00 N ATOM 197 CA PHE A 15 16.758 18.708 20.906 1.00 0.00 C ATOM 198 C PHE A 15 18.267 18.910 20.874 1.00 0.00 C ATOM 199 O PHE A 15 18.765 20.032 20.838 1.00 0.00 O ATOM 200 CB PHE A 15 16.215 18.192 19.577 1.00 0.00 C ATOM 201 CG PHE A 15 14.740 17.866 19.580 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.207 16.927 20.470 1.00 0.00 C ATOM 203 CD2 PHE A 15 13.876 18.493 18.674 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.839 16.633 20.505 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.509 18.192 18.711 1.00 0.00 C ATOM 206 CZ PHE A 15 11.963 17.285 19.628 1.00 0.00 C ATOM 0 H PHE A 15 16.243 20.688 20.646 1.00 0.00 H new ATOM 0 HA PHE A 15 16.590 17.954 21.675 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.406 18.940 18.807 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.770 17.297 19.296 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.871 16.414 21.150 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.260 19.201 17.954 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.460 15.905 21.207 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.851 18.678 18.006 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.900 17.094 19.658 1.00 0.00 H new ATOM 216 N ARG A 16 19.058 17.834 20.863 1.00 0.00 N ATOM 217 CA ARG A 16 20.496 17.819 20.687 1.00 0.00 C ATOM 218 C ARG A 16 20.885 18.448 19.357 1.00 0.00 C ATOM 219 O ARG A 16 20.105 18.399 18.408 1.00 0.00 O ATOM 220 CB ARG A 16 20.997 16.379 20.739 1.00 0.00 C ATOM 221 CG ARG A 16 22.495 16.237 20.993 1.00 0.00 C ATOM 222 CD ARG A 16 23.049 14.897 20.518 1.00 0.00 C ATOM 223 NE ARG A 16 23.278 14.979 19.076 1.00 0.00 N ATOM 224 CZ ARG A 16 23.107 14.063 18.112 1.00 0.00 C ATOM 225 NH1 ARG A 16 22.732 12.821 18.447 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 23.287 14.393 16.826 1.00 0.00 N ATOM 0 H ARG A 16 18.678 16.895 20.985 1.00 0.00 H new ATOM 0 HA ARG A 16 20.952 18.400 21.489 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.457 15.848 21.523 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.753 15.889 19.796 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.023 17.044 20.486 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.691 16.349 22.059 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.979 14.665 21.037 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.348 14.094 20.746 1.00 0.00 H new ATOM 0 HE ARG A 16 23.625 15.881 18.750 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.580 12.581 19.427 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.599 12.116 17.722 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.555 15.345 16.577 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.156 13.692 16.096 1.00 0.00 H new ATOM 240 N ASP A 17 22.100 18.997 19.290 1.00 0.00 N ATOM 241 CA ASP A 17 22.735 19.505 18.091 1.00 0.00 C ATOM 242 C ASP A 17 23.127 18.398 17.122 1.00 0.00 C ATOM 243 O ASP A 17 23.502 17.291 17.502 1.00 0.00 O ATOM 244 CB ASP A 17 23.937 20.340 18.522 1.00 0.00 C ATOM 245 CG ASP A 17 23.516 21.572 19.308 1.00 0.00 C ATOM 246 OD1 ASP A 17 22.743 22.401 18.782 1.00 0.00 O ATOM 247 OD2 ASP A 17 23.915 21.657 20.490 1.00 0.00 O1- ATOM 0 H ASP A 17 22.689 19.100 20.116 1.00 0.00 H new ATOM 0 HA ASP A 17 22.027 20.123 17.539 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.603 19.730 19.132 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.502 20.646 17.641 1.00 0.00 H new ATOM 252 N GLN A 18 23.072 18.806 15.852 1.00 0.00 N ATOM 253 CA GLN A 18 23.202 17.895 14.732 1.00 0.00 C ATOM 254 C GLN A 18 24.624 17.390 14.534 1.00 0.00 C ATOM 255 O GLN A 18 24.803 16.191 14.328 1.00 0.00 O ATOM 256 CB GLN A 18 22.656 18.643 13.519 1.00 0.00 C ATOM 257 CG GLN A 18 22.600 17.712 12.312 1.00 0.00 C ATOM 258 CD GLN A 18 21.638 18.236 11.256 1.00 0.00 C ATOM 259 OE1 GLN A 18 20.627 17.627 10.913 1.00 0.00 O ATOM 260 NE2 GLN A 18 21.960 19.374 10.636 1.00 0.00 N ATOM 0 H GLN A 18 22.936 19.780 15.580 1.00 0.00 H new ATOM 0 HA GLN A 18 22.636 16.980 14.909 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.660 19.028 13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.289 19.502 13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 18 23.596 17.610 11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 18 22.288 16.718 12.631 1.00 0.00 H new ATOM 0 HE21 GLN A 18 22.797 19.887 10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 18 21.369 19.731 9.885 1.00 0.00 H new