USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=3 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+ 180:sc= -0.428 (180deg=-0.428) USER MOD Single : A 3 THR OG1 : rot -75:sc= 1.07 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.9! C(o=-1.9!,f=-3!) USER MOD Single : A 10 SER OG : rot 55:sc= 1.25 USER MOD Single : A 12 SER OG : rot 18:sc= 0.263 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=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.087 22.289 18.407 1.00 0.00 N ATOM 2 CA GLY A 1 19.644 21.995 17.102 1.00 0.00 C ATOM 3 C GLY A 1 18.708 21.166 16.236 1.00 0.00 C ATOM 4 O GLY A 1 17.567 20.928 16.625 1.00 0.00 O ATOM 0 H3 GLY A 1 19.766 22.855 18.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.873 22.930 16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.586 21.461 17.226 1.00 0.00 H new ATOM 8 N LEU A 2 19.159 20.752 15.049 1.00 0.00 N ATOM 9 CA LEU A 2 18.335 20.254 13.966 1.00 0.00 C ATOM 10 C LEU A 2 18.161 18.742 13.958 1.00 0.00 C ATOM 11 O LEU A 2 17.637 18.170 13.006 1.00 0.00 O ATOM 12 CB LEU A 2 18.800 20.802 12.621 1.00 0.00 C ATOM 13 CG LEU A 2 18.413 22.237 12.275 1.00 0.00 C ATOM 14 CD1 LEU A 2 16.907 22.479 12.278 1.00 0.00 C ATOM 15 CD2 LEU A 2 19.023 23.285 13.201 1.00 0.00 C ATOM 0 H LEU A 2 20.152 20.759 14.816 1.00 0.00 H new ATOM 0 HA LEU A 2 17.332 20.638 14.151 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.887 20.728 12.585 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.410 20.150 11.839 1.00 0.00 H new ATOM 0 HG LEU A 2 18.815 22.351 11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 2 16.705 23.520 12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 2 16.432 21.828 11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 2 16.506 22.263 13.268 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.700 24.278 12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 2 18.695 23.102 14.224 1.00 0.00 H new ATOM 0 HD23 LEU A 2 20.110 23.225 13.152 1.00 0.00 H new ATOM 27 N THR A 3 18.575 18.023 15.005 1.00 0.00 N ATOM 28 CA THR A 3 18.180 16.639 15.178 1.00 0.00 C ATOM 29 C THR A 3 16.715 16.508 15.568 1.00 0.00 C ATOM 30 O THR A 3 15.996 17.481 15.784 1.00 0.00 O ATOM 31 CB THR A 3 19.049 15.946 16.224 1.00 0.00 C ATOM 32 OG1 THR A 3 18.773 16.554 17.466 1.00 0.00 O ATOM 33 CG2 THR A 3 20.548 16.047 15.955 1.00 0.00 C ATOM 0 H THR A 3 19.183 18.384 15.740 1.00 0.00 H new ATOM 0 HA THR A 3 18.322 16.152 14.213 1.00 0.00 H new ATOM 0 HB THR A 3 18.807 14.884 16.203 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.203 17.434 17.502 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.095 15.530 16.743 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.777 15.588 14.993 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.844 17.096 15.936 1.00 0.00 H new ATOM 41 N GLN A 4 16.277 15.266 15.784 1.00 0.00 N ATOM 42 CA GLN A 4 15.020 14.869 16.387 1.00 0.00 C ATOM 43 C GLN A 4 15.190 14.225 17.755 1.00 0.00 C ATOM 44 O GLN A 4 14.253 13.588 18.233 1.00 0.00 O ATOM 45 CB GLN A 4 14.234 14.009 15.400 1.00 0.00 C ATOM 46 CG GLN A 4 13.779 14.824 14.194 1.00 0.00 C ATOM 47 CD GLN A 4 12.980 13.947 13.240 1.00 0.00 C ATOM 48 OE1 GLN A 4 11.756 13.873 13.325 1.00 0.00 O ATOM 49 NE2 GLN A 4 13.609 13.236 12.299 1.00 0.00 N ATOM 0 H GLN A 4 16.840 14.457 15.519 1.00 0.00 H new ATOM 0 HA GLN A 4 14.436 15.766 16.593 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.854 13.177 15.066 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.366 13.580 15.900 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.169 15.666 14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.645 15.240 13.679 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.624 13.286 12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.074 12.643 11.665 1.00 0.00 H new ATOM 58 N ILE A 5 16.364 14.272 18.387 1.00 0.00 N ATOM 59 CA ILE A 5 16.711 13.534 19.584 1.00 0.00 C ATOM 60 C ILE A 5 17.049 14.466 20.739 1.00 0.00 C ATOM 61 O ILE A 5 17.549 15.568 20.526 1.00 0.00 O ATOM 62 CB ILE A 5 17.781 12.518 19.196 1.00 0.00 C ATOM 63 CG1 ILE A 5 17.741 11.238 20.027 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.174 13.138 19.256 1.00 0.00 C ATOM 65 CD1 ILE A 5 16.535 10.341 19.766 1.00 0.00 C ATOM 0 H ILE A 5 17.130 14.857 18.055 1.00 0.00 H new ATOM 0 HA ILE A 5 15.867 12.971 19.982 1.00 0.00 H new ATOM 0 HB ILE A 5 17.554 12.232 18.169 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.649 10.667 19.833 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.754 11.507 21.083 1.00 0.00 H new ATOM 0 HG21 ILE A 5 19.917 12.392 18.975 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.227 13.981 18.567 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.374 13.485 20.270 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.594 9.458 20.402 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.619 10.888 19.990 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.529 10.035 18.720 1.00 0.00 H new ATOM 77 N GLN A 6 16.729 14.130 21.990 1.00 0.00 N ATOM 78 CA GLN A 6 16.589 15.090 23.067 1.00 0.00 C ATOM 79 C GLN A 6 17.854 15.541 23.782 1.00 0.00 C ATOM 80 O GLN A 6 18.461 14.765 24.516 1.00 0.00 O ATOM 81 CB GLN A 6 15.504 14.662 24.050 1.00 0.00 C ATOM 82 CG GLN A 6 15.481 13.202 24.495 1.00 0.00 C ATOM 83 CD GLN A 6 15.008 12.233 23.421 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.787 11.431 22.910 1.00 0.00 O ATOM 85 NE2 GLN A 6 13.754 12.314 22.973 1.00 0.00 N ATOM 0 H GLN A 6 16.559 13.167 22.279 1.00 0.00 H new ATOM 0 HA GLN A 6 16.285 15.998 22.546 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.597 15.282 24.942 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.537 14.891 23.602 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.483 12.914 24.813 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.831 13.109 25.365 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.104 12.978 23.394 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.445 11.712 22.210 1.00 0.00 H new ATOM 94 N ALA A 7 18.291 16.782 23.554 1.00 0.00 N ATOM 95 CA ALA A 7 19.256 17.542 24.322 1.00 0.00 C ATOM 96 C ALA A 7 18.943 19.025 24.179 1.00 0.00 C ATOM 97 O ALA A 7 18.166 19.427 23.317 1.00 0.00 O ATOM 98 CB ALA A 7 20.667 17.243 23.825 1.00 0.00 C ATOM 0 H ALA A 7 17.944 17.318 22.758 1.00 0.00 H new ATOM 0 HA ALA A 7 19.197 17.261 25.374 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.387 17.818 24.407 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.875 16.179 23.939 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.748 17.518 22.773 1.00 0.00 H new ATOM 104 N LEU A 8 19.517 19.873 25.036 1.00 0.00 N ATOM 105 CA LEU A 8 19.411 21.312 24.908 1.00 0.00 C ATOM 106 C LEU A 8 20.208 21.754 23.689 1.00 0.00 C ATOM 107 O LEU A 8 21.410 21.528 23.567 1.00 0.00 O ATOM 108 CB LEU A 8 19.846 21.979 26.211 1.00 0.00 C ATOM 109 CG LEU A 8 19.357 23.392 26.513 1.00 0.00 C ATOM 110 CD1 LEU A 8 19.800 24.453 25.509 1.00 0.00 C ATOM 111 CD2 LEU A 8 17.850 23.441 26.746 1.00 0.00 C ATOM 0 H LEU A 8 20.069 19.570 25.839 1.00 0.00 H new ATOM 0 HA LEU A 8 18.379 21.623 24.743 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.528 21.337 27.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.936 21.997 26.225 1.00 0.00 H new ATOM 0 HG LEU A 8 19.857 23.656 27.445 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.404 25.424 25.807 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.889 24.497 25.483 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.424 24.196 24.519 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.548 24.467 26.957 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.332 23.086 25.855 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.592 22.805 27.593 1.00 0.00 H new ATOM 123 N ASP A 9 19.543 22.409 22.735 1.00 0.00 N ATOM 124 CA ASP A 9 20.116 22.880 21.490 1.00 0.00 C ATOM 125 C ASP A 9 21.061 24.052 21.708 1.00 0.00 C ATOM 126 O ASP A 9 20.751 24.961 22.475 1.00 0.00 O ATOM 127 CB ASP A 9 18.939 23.287 20.607 1.00 0.00 C ATOM 128 CG ASP A 9 19.369 23.363 19.149 1.00 0.00 C ATOM 129 OD1 ASP A 9 20.059 24.325 18.750 1.00 0.00 O ATOM 0 H ASP A 9 18.551 22.630 22.820 1.00 0.00 H new ATOM 0 HA ASP A 9 20.715 22.098 21.024 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.128 22.567 20.716 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.552 24.254 20.929 1.00 0.00 H new ATOM 134 N SER A 10 22.179 24.161 20.987 1.00 0.00 N ATOM 135 CA SER A 10 23.047 25.316 21.101 1.00 0.00 C ATOM 136 C SER A 10 22.472 26.649 20.642 1.00 0.00 C ATOM 137 O SER A 10 22.880 27.719 21.089 1.00 0.00 O ATOM 138 CB SER A 10 24.341 25.117 20.315 1.00 0.00 C ATOM 139 OG SER A 10 25.125 24.091 20.880 1.00 0.00 O ATOM 0 H SER A 10 22.497 23.458 20.320 1.00 0.00 H new ATOM 0 HA SER A 10 23.202 25.378 22.178 1.00 0.00 H new ATOM 0 HB2 SER A 10 24.107 24.871 19.279 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.909 26.047 20.302 1.00 0.00 H new ATOM 0 HG SER A 10 24.590 23.273 20.953 1.00 0.00 H new ATOM 145 N VAL A 11 21.481 26.607 19.749 1.00 0.00 N ATOM 146 CA VAL A 11 20.844 27.765 19.155 1.00 0.00 C ATOM 147 C VAL A 11 19.442 27.969 19.710 1.00 0.00 C ATOM 148 O VAL A 11 19.272 28.915 20.476 1.00 0.00 O ATOM 149 CB VAL A 11 20.796 27.628 17.636 1.00 0.00 C ATOM 150 CG1 VAL A 11 20.247 28.884 16.964 1.00 0.00 C ATOM 151 CG2 VAL A 11 22.199 27.406 17.079 1.00 0.00 C ATOM 0 H VAL A 11 21.091 25.727 19.412 1.00 0.00 H new ATOM 0 HA VAL A 11 21.440 28.641 19.411 1.00 0.00 H new ATOM 0 HB VAL A 11 20.143 26.781 17.426 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.231 28.741 15.884 1.00 0.00 H new ATOM 0 HG12 VAL A 11 19.234 29.074 17.320 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.883 29.735 17.208 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.149 27.310 15.994 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.832 28.254 17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.620 26.495 17.505 1.00 0.00 H new ATOM 161 N SER A 12 18.486 27.088 19.406 1.00 0.00 N ATOM 162 CA SER A 12 17.108 27.141 19.849 1.00 0.00 C ATOM 163 C SER A 12 16.490 25.758 19.705 1.00 0.00 C ATOM 164 O SER A 12 16.883 24.990 18.829 1.00 0.00 O ATOM 165 CB SER A 12 16.297 28.119 19.003 1.00 0.00 C ATOM 166 OG SER A 12 16.541 29.459 19.367 1.00 0.00 O ATOM 0 H SER A 12 18.671 26.279 18.813 1.00 0.00 H new ATOM 0 HA SER A 12 17.093 27.472 20.887 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.543 27.979 17.950 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.235 27.901 19.114 1.00 0.00 H new ATOM 0 HG SER A 12 17.377 29.513 19.875 1.00 0.00 H new ATOM 172 N GLY A 13 15.540 25.433 20.585 1.00 0.00 N ATOM 173 CA GLY A 13 14.813 24.181 20.623 1.00 0.00 C ATOM 174 C GLY A 13 15.300 23.179 21.660 1.00 0.00 C ATOM 175 O GLY A 13 16.234 23.444 22.414 1.00 0.00 O ATOM 0 H GLY A 13 15.249 26.074 21.323 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.762 24.396 20.815 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.869 23.717 19.638 1.00 0.00 H new ATOM 179 N GLN A 14 14.679 21.997 21.646 1.00 0.00 N ATOM 180 CA GLN A 14 14.767 20.938 22.631 1.00 0.00 C ATOM 181 C GLN A 14 15.232 19.622 22.023 1.00 0.00 C ATOM 182 O GLN A 14 15.140 18.598 22.695 1.00 0.00 O ATOM 183 CB GLN A 14 13.433 20.815 23.362 1.00 0.00 C ATOM 184 CG GLN A 14 12.994 22.138 23.986 1.00 0.00 C ATOM 185 CD GLN A 14 11.715 21.985 24.796 1.00 0.00 C ATOM 186 OE1 GLN A 14 11.736 21.789 26.009 1.00 0.00 O ATOM 187 NE2 GLN A 14 10.534 22.140 24.193 1.00 0.00 N ATOM 0 H GLN A 14 14.054 21.745 20.881 1.00 0.00 H new ATOM 0 HA GLN A 14 15.533 21.199 23.361 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.668 20.473 22.665 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.516 20.057 24.141 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.788 22.518 24.629 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.840 22.877 23.200 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.493 22.304 23.187 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.673 22.095 24.738 1.00 0.00 H new ATOM 196 N PHE A 15 15.699 19.620 20.772 1.00 0.00 N ATOM 197 CA PHE A 15 16.502 18.530 20.256 1.00 0.00 C ATOM 198 C PHE A 15 17.939 18.975 20.021 1.00 0.00 C ATOM 199 O PHE A 15 18.252 20.159 19.931 1.00 0.00 O ATOM 200 CB PHE A 15 15.857 18.021 18.970 1.00 0.00 C ATOM 201 CG PHE A 15 14.463 17.445 19.053 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.140 16.441 19.973 1.00 0.00 C ATOM 203 CD2 PHE A 15 13.470 17.834 18.147 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.881 15.830 19.966 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.190 17.267 18.149 1.00 0.00 C ATOM 206 CZ PHE A 15 11.896 16.247 19.063 1.00 0.00 C ATOM 0 H PHE A 15 15.529 20.369 20.101 1.00 0.00 H new ATOM 0 HA PHE A 15 16.540 17.721 20.985 1.00 0.00 H new ATOM 0 HB2 PHE A 15 15.835 18.847 18.259 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.510 17.256 18.550 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.875 16.132 20.701 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.699 18.599 17.420 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.668 15.032 20.662 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.438 17.612 17.454 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.919 15.787 19.071 1.00 0.00 H new ATOM 216 N ARG A 16 18.849 18.000 19.968 1.00 0.00 N ATOM 217 CA ARG A 16 20.293 18.116 19.955 1.00 0.00 C ATOM 218 C ARG A 16 20.833 18.876 18.752 1.00 0.00 C ATOM 219 O ARG A 16 20.203 18.936 17.698 1.00 0.00 O ATOM 220 CB ARG A 16 20.867 16.704 20.034 1.00 0.00 C ATOM 221 CG ARG A 16 22.340 16.653 20.430 1.00 0.00 C ATOM 222 CD ARG A 16 22.860 15.225 20.562 1.00 0.00 C ATOM 223 NE ARG A 16 24.144 15.253 21.263 1.00 0.00 N ATOM 224 CZ ARG A 16 24.929 14.251 21.683 1.00 0.00 C ATOM 225 NH1 ARG A 16 24.594 12.978 21.432 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 26.044 14.497 22.384 1.00 0.00 N ATOM 0 H ARG A 16 18.558 17.023 19.930 1.00 0.00 H new ATOM 0 HA ARG A 16 20.606 18.711 20.813 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.288 16.127 20.755 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.745 16.219 19.066 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.932 17.184 19.685 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.477 17.175 21.377 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.144 14.612 21.110 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.978 14.774 19.577 1.00 0.00 H new ATOM 0 HE ARG A 16 24.500 16.187 21.465 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.738 12.768 20.919 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.195 12.219 21.754 1.00 0.00 H new ATOM 0 HH21 ARG A 16 26.306 15.458 22.605 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.631 13.724 22.697 1.00 0.00 H new ATOM 240 N ASP A 17 22.061 19.376 18.894 1.00 0.00 N ATOM 241 CA ASP A 17 22.911 19.790 17.796 1.00 0.00 C ATOM 242 C ASP A 17 23.233 18.654 16.837 1.00 0.00 C ATOM 243 O ASP A 17 23.696 17.601 17.270 1.00 0.00 O ATOM 244 CB ASP A 17 24.154 20.445 18.394 1.00 0.00 C ATOM 245 CG ASP A 17 23.813 21.733 19.129 1.00 0.00 C ATOM 246 OD1 ASP A 17 23.314 22.703 18.520 1.00 0.00 O1- ATOM 247 OD2 ASP A 17 24.059 21.801 20.353 1.00 0.00 O ATOM 0 H ASP A 17 22.497 19.505 19.807 1.00 0.00 H new ATOM 0 HA ASP A 17 22.385 20.514 17.174 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.636 19.750 19.082 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.871 20.657 17.601 1.00 0.00 H new ATOM 252 N GLN A 18 23.028 18.877 15.537 1.00 0.00 N ATOM 253 CA GLN A 18 23.268 17.979 14.425 1.00 0.00 C ATOM 254 C GLN A 18 24.703 17.525 14.197 1.00 0.00 C ATOM 255 O GLN A 18 24.941 16.645 13.373 1.00 0.00 O ATOM 256 CB GLN A 18 22.722 18.626 13.155 1.00 0.00 C ATOM 257 CG GLN A 18 21.917 17.622 12.335 1.00 0.00 C ATOM 258 CD GLN A 18 21.307 18.286 11.109 1.00 0.00 C ATOM 259 OE1 GLN A 18 21.973 18.976 10.340 1.00 0.00 O ATOM 260 NE2 GLN A 18 20.008 18.154 10.834 1.00 0.00 N ATOM 0 H GLN A 18 22.657 19.772 15.217 1.00 0.00 H new ATOM 0 HA GLN A 18 22.750 17.058 14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 18 22.092 19.476 13.417 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.546 19.013 12.556 1.00 0.00 H new ATOM 0 HG2 GLN A 18 22.562 16.800 12.025 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.127 17.193 12.952 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.413 17.592 11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.610 18.616 10.016 1.00 0.00 H new