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= -0.331 (180deg=-0.331) USER MOD Single : A 3 THR OG1 : rot -58:sc= 1.19 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -3.89! C(o=-3.9!,f=-3.4!) USER MOD Single : A 10 SER OG : rot 61:sc= 0.711 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.223 22.139 18.623 1.00 0.00 N ATOM 2 CA GLY A 1 19.704 21.959 17.268 1.00 0.00 C ATOM 3 C GLY A 1 18.693 21.440 16.255 1.00 0.00 C ATOM 4 O GLY A 1 17.502 21.318 16.535 1.00 0.00 O ATOM 0 H3 GLY A 1 19.996 22.495 19.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.085 22.916 16.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.547 21.269 17.294 1.00 0.00 H new ATOM 8 N LEU A 2 19.157 21.119 15.045 1.00 0.00 N ATOM 9 CA LEU A 2 18.368 20.640 13.928 1.00 0.00 C ATOM 10 C LEU A 2 18.124 19.138 13.884 1.00 0.00 C ATOM 11 O LEU A 2 17.642 18.603 12.888 1.00 0.00 O ATOM 12 CB LEU A 2 18.981 21.197 12.646 1.00 0.00 C ATOM 13 CG LEU A 2 18.147 21.203 11.368 1.00 0.00 C ATOM 14 CD1 LEU A 2 16.726 21.723 11.563 1.00 0.00 C ATOM 15 CD2 LEU A 2 18.845 22.052 10.310 1.00 0.00 C ATOM 0 H LEU A 2 20.148 21.193 14.815 1.00 0.00 H new ATOM 0 HA LEU A 2 17.353 21.016 14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.284 22.225 12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 2 19.890 20.631 12.443 1.00 0.00 H new ATOM 0 HG LEU A 2 18.062 20.163 11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 2 16.195 21.697 10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 2 16.205 21.096 12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 2 16.761 22.748 11.931 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.250 22.057 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 2 18.955 23.072 10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 2 19.829 21.634 10.099 1.00 0.00 H new ATOM 27 N THR A 3 18.442 18.395 14.946 1.00 0.00 N ATOM 28 CA THR A 3 18.096 17.003 15.154 1.00 0.00 C ATOM 29 C THR A 3 16.711 16.814 15.758 1.00 0.00 C ATOM 30 O THR A 3 15.969 17.783 15.900 1.00 0.00 O ATOM 31 CB THR A 3 19.154 16.277 15.978 1.00 0.00 C ATOM 32 OG1 THR A 3 19.079 16.563 17.357 1.00 0.00 O ATOM 33 CG2 THR A 3 20.590 16.504 15.517 1.00 0.00 C ATOM 0 H THR A 3 18.979 18.779 15.724 1.00 0.00 H new ATOM 0 HA THR A 3 18.067 16.553 14.162 1.00 0.00 H new ATOM 0 HB THR A 3 18.908 15.229 15.807 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.170 17.529 17.496 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.271 15.949 16.162 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.701 16.159 14.489 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.825 17.567 15.570 1.00 0.00 H new ATOM 41 N GLN A 4 16.340 15.575 16.091 1.00 0.00 N ATOM 42 CA GLN A 4 15.131 15.229 16.809 1.00 0.00 C ATOM 43 C GLN A 4 15.327 14.439 18.096 1.00 0.00 C ATOM 44 O GLN A 4 14.366 13.939 18.677 1.00 0.00 O ATOM 45 CB GLN A 4 14.097 14.576 15.896 1.00 0.00 C ATOM 46 CG GLN A 4 13.942 15.230 14.526 1.00 0.00 C ATOM 47 CD GLN A 4 12.713 14.691 13.807 1.00 0.00 C ATOM 48 OE1 GLN A 4 11.656 15.312 13.730 1.00 0.00 O ATOM 49 NE2 GLN A 4 12.800 13.491 13.228 1.00 0.00 N ATOM 0 H GLN A 4 16.904 14.759 15.854 1.00 0.00 H new ATOM 0 HA GLN A 4 14.743 16.190 17.147 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.369 13.530 15.754 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.130 14.589 16.399 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.857 16.311 14.641 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.832 15.042 13.925 1.00 0.00 H new ATOM 0 HE21 GLN A 4 13.670 12.961 13.282 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.997 13.105 12.732 1.00 0.00 H new ATOM 58 N ILE A 5 16.562 14.283 18.578 1.00 0.00 N ATOM 59 CA ILE A 5 16.869 13.605 19.822 1.00 0.00 C ATOM 60 C ILE A 5 16.933 14.633 20.944 1.00 0.00 C ATOM 61 O ILE A 5 17.687 15.599 20.859 1.00 0.00 O ATOM 62 CB ILE A 5 18.129 12.759 19.673 1.00 0.00 C ATOM 63 CG1 ILE A 5 18.283 11.785 20.836 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.412 13.555 19.457 1.00 0.00 C ATOM 65 CD1 ILE A 5 19.425 10.779 20.723 1.00 0.00 C ATOM 0 H ILE A 5 17.389 14.636 18.097 1.00 0.00 H new ATOM 0 HA ILE A 5 16.081 12.899 20.085 1.00 0.00 H new ATOM 0 HB ILE A 5 17.980 12.197 18.751 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.423 12.362 21.750 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.350 11.233 20.947 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.254 12.869 19.362 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.323 14.149 18.547 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.577 14.217 20.307 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.436 10.140 21.606 1.00 0.00 H new ATOM 0 HD12 ILE A 5 19.283 10.166 19.833 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.373 11.312 20.649 1.00 0.00 H new ATOM 77 N GLN A 6 16.156 14.426 22.010 1.00 0.00 N ATOM 78 CA GLN A 6 15.965 15.313 23.139 1.00 0.00 C ATOM 79 C GLN A 6 17.283 15.562 23.858 1.00 0.00 C ATOM 80 O GLN A 6 17.824 14.680 24.522 1.00 0.00 O ATOM 81 CB GLN A 6 14.865 14.821 24.076 1.00 0.00 C ATOM 82 CG GLN A 6 14.861 13.368 24.543 1.00 0.00 C ATOM 83 CD GLN A 6 14.929 12.302 23.459 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.870 11.512 23.444 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.016 12.263 22.486 1.00 0.00 N ATOM 0 H GLN A 6 15.609 13.570 22.105 1.00 0.00 H new ATOM 0 HA GLN A 6 15.620 16.274 22.757 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.891 15.449 24.967 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.911 15.007 23.583 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.707 13.224 25.215 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.957 13.201 25.128 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.233 12.917 22.495 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.101 11.579 21.734 1.00 0.00 H new ATOM 94 N ALA A 7 17.843 16.765 23.709 1.00 0.00 N ATOM 95 CA ALA A 7 19.072 17.262 24.294 1.00 0.00 C ATOM 96 C ALA A 7 19.049 18.777 24.436 1.00 0.00 C ATOM 97 O ALA A 7 18.108 19.433 23.998 1.00 0.00 O ATOM 98 CB ALA A 7 20.273 16.858 23.442 1.00 0.00 C ATOM 0 H ALA A 7 17.401 17.472 23.122 1.00 0.00 H new ATOM 0 HA ALA A 7 19.160 16.819 25.286 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.187 17.240 23.897 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.326 15.771 23.380 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.165 17.274 22.440 1.00 0.00 H new ATOM 104 N LEU A 8 20.118 19.396 24.942 1.00 0.00 N ATOM 105 CA LEU A 8 20.313 20.830 25.011 1.00 0.00 C ATOM 106 C LEU A 8 20.890 21.372 23.711 1.00 0.00 C ATOM 107 O LEU A 8 22.061 21.157 23.403 1.00 0.00 O ATOM 108 CB LEU A 8 21.127 21.184 26.254 1.00 0.00 C ATOM 109 CG LEU A 8 20.585 20.556 27.535 1.00 0.00 C ATOM 110 CD1 LEU A 8 21.409 20.982 28.746 1.00 0.00 C ATOM 111 CD2 LEU A 8 19.141 20.950 27.833 1.00 0.00 C ATOM 0 H LEU A 8 20.905 18.877 25.332 1.00 0.00 H new ATOM 0 HA LEU A 8 19.350 21.328 25.120 1.00 0.00 H new ATOM 0 HB2 LEU A 8 22.158 20.861 26.108 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.146 22.268 26.370 1.00 0.00 H new ATOM 0 HG LEU A 8 20.643 19.481 27.365 1.00 0.00 H new ATOM 0 HD11 LEU A 8 21.001 20.520 29.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 22.443 20.664 28.612 1.00 0.00 H new ATOM 0 HD13 LEU A 8 21.373 22.067 28.847 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.816 20.470 28.756 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.075 22.032 27.943 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.500 20.629 27.012 1.00 0.00 H new ATOM 123 N ASP A 9 20.052 21.996 22.881 1.00 0.00 N ATOM 124 CA ASP A 9 20.444 22.647 21.646 1.00 0.00 C ATOM 125 C ASP A 9 21.390 23.813 21.895 1.00 0.00 C ATOM 126 O ASP A 9 21.228 24.530 22.881 1.00 0.00 O ATOM 127 CB ASP A 9 19.201 23.092 20.881 1.00 0.00 C ATOM 128 CG ASP A 9 19.482 23.200 19.390 1.00 0.00 C ATOM 129 OD1 ASP A 9 19.969 24.267 18.955 1.00 0.00 O ATOM 0 H ASP A 9 19.050 22.060 23.063 1.00 0.00 H new ATOM 0 HA ASP A 9 20.992 21.927 21.038 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.392 22.381 21.051 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.863 24.056 21.261 1.00 0.00 H new ATOM 134 N SER A 10 22.300 24.147 20.977 1.00 0.00 N ATOM 135 CA SER A 10 23.127 25.337 20.954 1.00 0.00 C ATOM 136 C SER A 10 22.370 26.630 20.688 1.00 0.00 C ATOM 137 O SER A 10 22.804 27.676 21.167 1.00 0.00 O ATOM 138 CB SER A 10 24.178 25.280 19.850 1.00 0.00 C ATOM 139 OG SER A 10 25.202 24.375 20.198 1.00 0.00 O ATOM 0 H SER A 10 22.485 23.543 20.176 1.00 0.00 H new ATOM 0 HA SER A 10 23.557 25.347 21.956 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.715 24.973 18.912 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.599 26.272 19.687 1.00 0.00 H new ATOM 0 HG SER A 10 24.822 23.479 20.311 1.00 0.00 H new ATOM 145 N VAL A 11 21.281 26.571 19.919 1.00 0.00 N ATOM 146 CA VAL A 11 20.586 27.695 19.324 1.00 0.00 C ATOM 147 C VAL A 11 19.142 27.741 19.802 1.00 0.00 C ATOM 148 O VAL A 11 18.734 28.661 20.506 1.00 0.00 O ATOM 149 CB VAL A 11 20.710 27.664 17.804 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.896 28.775 17.146 1.00 0.00 C ATOM 151 CG2 VAL A 11 22.167 27.817 17.378 1.00 0.00 C ATOM 0 H VAL A 11 20.841 25.681 19.686 1.00 0.00 H new ATOM 0 HA VAL A 11 21.056 28.622 19.653 1.00 0.00 H new ATOM 0 HB VAL A 11 20.323 26.699 17.478 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.011 28.718 16.064 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.844 28.658 17.406 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.251 29.744 17.498 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.233 27.792 16.290 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.555 28.768 17.743 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.756 27.000 17.796 1.00 0.00 H new ATOM 161 N SER A 12 18.344 26.764 19.366 1.00 0.00 N ATOM 162 CA SER A 12 16.902 26.751 19.514 1.00 0.00 C ATOM 163 C SER A 12 16.322 25.345 19.466 1.00 0.00 C ATOM 164 O SER A 12 16.854 24.435 18.835 1.00 0.00 O ATOM 165 CB SER A 12 16.233 27.581 18.423 1.00 0.00 C ATOM 166 OG SER A 12 16.526 27.149 17.113 1.00 0.00 O ATOM 0 H SER A 12 18.703 25.938 18.886 1.00 0.00 H new ATOM 0 HA SER A 12 16.700 27.180 20.495 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.153 27.554 18.571 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.543 28.620 18.530 1.00 0.00 H new ATOM 0 HG SER A 12 16.064 27.724 16.468 1.00 0.00 H new ATOM 172 N GLY A 13 15.143 25.234 20.082 1.00 0.00 N ATOM 173 CA GLY A 13 14.378 24.015 20.253 1.00 0.00 C ATOM 174 C GLY A 13 14.887 23.136 21.386 1.00 0.00 C ATOM 175 O GLY A 13 15.792 23.525 22.121 1.00 0.00 O ATOM 0 H GLY A 13 14.678 26.042 20.495 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.336 24.272 20.443 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.402 23.447 19.323 1.00 0.00 H new ATOM 179 N GLN A 14 14.320 21.934 21.507 1.00 0.00 N ATOM 180 CA GLN A 14 14.576 20.969 22.557 1.00 0.00 C ATOM 181 C GLN A 14 15.430 19.770 22.171 1.00 0.00 C ATOM 182 O GLN A 14 15.440 18.758 22.870 1.00 0.00 O ATOM 183 CB GLN A 14 13.238 20.605 23.196 1.00 0.00 C ATOM 184 CG GLN A 14 12.368 19.721 22.308 1.00 0.00 C ATOM 185 CD GLN A 14 11.011 19.434 22.936 1.00 0.00 C ATOM 186 OE1 GLN A 14 10.918 19.234 24.144 1.00 0.00 O ATOM 187 NE2 GLN A 14 9.919 19.406 22.168 1.00 0.00 N ATOM 0 H GLN A 14 13.633 21.597 20.833 1.00 0.00 H new ATOM 0 HA GLN A 14 15.224 21.443 23.294 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.421 20.092 24.140 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.694 21.520 23.431 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.224 20.207 21.343 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.884 18.780 22.117 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.997 19.572 21.165 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.007 19.218 22.585 1.00 0.00 H new ATOM 196 N PHE A 15 16.128 19.811 21.034 1.00 0.00 N ATOM 197 CA PHE A 15 16.859 18.691 20.476 1.00 0.00 C ATOM 198 C PHE A 15 18.353 18.947 20.348 1.00 0.00 C ATOM 199 O PHE A 15 18.840 20.073 20.429 1.00 0.00 O ATOM 200 CB PHE A 15 16.252 18.269 19.141 1.00 0.00 C ATOM 201 CG PHE A 15 14.766 18.001 19.173 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.230 17.052 20.052 1.00 0.00 C ATOM 203 CD2 PHE A 15 13.887 18.711 18.348 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.863 16.748 20.058 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.519 18.410 18.346 1.00 0.00 C ATOM 206 CZ PHE A 15 11.995 17.436 19.203 1.00 0.00 C ATOM 0 H PHE A 15 16.197 20.655 20.465 1.00 0.00 H new ATOM 0 HA PHE A 15 16.760 17.869 21.185 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.450 19.049 18.406 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.761 17.369 18.795 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.886 16.542 20.742 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.265 19.495 17.709 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.480 15.985 20.720 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.859 18.937 17.673 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.937 17.219 19.205 1.00 0.00 H new ATOM 216 N ARG A 16 19.121 17.901 20.035 1.00 0.00 N ATOM 217 CA ARG A 16 20.560 17.983 19.890 1.00 0.00 C ATOM 218 C ARG A 16 21.042 18.761 18.673 1.00 0.00 C ATOM 219 O ARG A 16 20.340 18.867 17.670 1.00 0.00 O ATOM 220 CB ARG A 16 21.086 16.551 19.904 1.00 0.00 C ATOM 221 CG ARG A 16 22.549 16.529 20.335 1.00 0.00 C ATOM 222 CD ARG A 16 22.961 15.081 20.586 1.00 0.00 C ATOM 223 NE ARG A 16 24.384 15.045 20.927 1.00 0.00 N ATOM 224 CZ ARG A 16 25.260 14.073 20.639 1.00 0.00 C ATOM 225 NH1 ARG A 16 24.897 12.941 20.022 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 26.527 14.223 21.048 1.00 0.00 N ATOM 0 H ARG A 16 18.748 16.965 19.875 1.00 0.00 H new ATOM 0 HA ARG A 16 20.959 18.566 20.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.490 15.944 20.585 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.985 16.110 18.913 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.178 16.973 19.563 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.686 17.123 21.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.368 14.656 21.396 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.770 14.476 19.700 1.00 0.00 H new ATOM 0 HE ARG A 16 24.749 15.848 21.440 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.924 12.796 19.754 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.594 12.224 19.820 1.00 0.00 H new ATOM 0 HH21 ARG A 16 26.801 15.060 21.563 1.00 0.00 H new ATOM 0 HH22 ARG A 16 27.218 13.501 20.844 1.00 0.00 H new ATOM 240 N ASP A 17 22.287 19.237 18.763 1.00 0.00 N ATOM 241 CA ASP A 17 22.997 19.818 17.642 1.00 0.00 C ATOM 242 C ASP A 17 23.304 18.848 16.510 1.00 0.00 C ATOM 243 O ASP A 17 23.769 17.741 16.769 1.00 0.00 O ATOM 244 CB ASP A 17 24.232 20.571 18.126 1.00 0.00 C ATOM 245 CG ASP A 17 23.846 21.724 19.042 1.00 0.00 C ATOM 246 OD1 ASP A 17 22.961 22.532 18.684 1.00 0.00 O ATOM 247 OD2 ASP A 17 24.390 21.754 20.167 1.00 0.00 O1- ATOM 0 H ASP A 17 22.827 19.225 19.628 1.00 0.00 H new ATOM 0 HA ASP A 17 22.313 20.533 17.186 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.894 19.887 18.657 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.788 20.953 17.270 1.00 0.00 H new ATOM 252 N GLN A 18 23.048 19.261 15.266 1.00 0.00 N ATOM 253 CA GLN A 18 23.294 18.539 14.035 1.00 0.00 C ATOM 254 C GLN A 18 24.787 18.429 13.760 1.00 0.00 C ATOM 255 O GLN A 18 25.219 17.662 12.902 1.00 0.00 O ATOM 256 CB GLN A 18 22.504 19.282 12.961 1.00 0.00 C ATOM 257 CG GLN A 18 22.440 18.488 11.659 1.00 0.00 C ATOM 258 CD GLN A 18 21.683 19.224 10.564 1.00 0.00 C ATOM 259 OE1 GLN A 18 22.141 20.239 10.044 1.00 0.00 O ATOM 260 NE2 GLN A 18 20.490 18.775 10.169 1.00 0.00 N ATOM 0 H GLN A 18 22.633 20.176 15.091 1.00 0.00 H new ATOM 0 HA GLN A 18 22.961 17.502 14.074 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.493 19.475 13.320 1.00 0.00 H new ATOM 0 HB3 GLN A 18 22.966 20.251 12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 18 23.453 18.276 11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.959 17.528 11.846 1.00 0.00 H new ATOM 0 HE21 GLN A 18 20.096 17.934 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.972 19.273 9.445 1.00 0.00 H new