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+ -173:sc= -0.418 (180deg=-0.457) USER MOD Single : A 3 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 6 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.9!) USER MOD Single : A 10 SER OG : rot 52:sc= 1.12 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.258 21.958 18.592 1.00 0.00 N ATOM 2 CA GLY A 1 19.701 21.750 17.228 1.00 0.00 C ATOM 3 C GLY A 1 18.632 21.302 16.240 1.00 0.00 C ATOM 4 O GLY A 1 17.445 21.295 16.554 1.00 0.00 O ATOM 0 H3 GLY A 1 20.032 22.372 19.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.138 22.679 16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.496 21.005 17.235 1.00 0.00 H new ATOM 8 N LEU A 2 19.059 20.983 15.015 1.00 0.00 N ATOM 9 CA LEU A 2 18.261 20.512 13.902 1.00 0.00 C ATOM 10 C LEU A 2 18.025 19.009 13.930 1.00 0.00 C ATOM 11 O LEU A 2 17.157 18.510 13.218 1.00 0.00 O ATOM 12 CB LEU A 2 18.959 20.906 12.603 1.00 0.00 C ATOM 13 CG LEU A 2 18.832 22.344 12.109 1.00 0.00 C ATOM 14 CD1 LEU A 2 19.702 23.362 12.842 1.00 0.00 C ATOM 15 CD2 LEU A 2 19.161 22.458 10.622 1.00 0.00 C ATOM 0 H LEU A 2 20.046 21.056 14.767 1.00 0.00 H new ATOM 0 HA LEU A 2 17.278 20.978 13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 2 20.021 20.689 12.720 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.585 20.252 11.815 1.00 0.00 H new ATOM 0 HG LEU A 2 17.789 22.585 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 2 19.539 24.353 12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 2 19.437 23.373 13.899 1.00 0.00 H new ATOM 0 HD13 LEU A 2 20.752 23.089 12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 2 19.060 23.496 10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 2 20.184 22.124 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.474 21.835 10.049 1.00 0.00 H new ATOM 27 N THR A 3 18.833 18.228 14.651 1.00 0.00 N ATOM 28 CA THR A 3 18.528 16.854 14.998 1.00 0.00 C ATOM 29 C THR A 3 17.207 16.730 15.743 1.00 0.00 C ATOM 30 O THR A 3 16.745 17.699 16.343 1.00 0.00 O ATOM 31 CB THR A 3 19.670 16.176 15.750 1.00 0.00 C ATOM 32 OG1 THR A 3 20.631 17.122 16.165 1.00 0.00 O ATOM 33 CG2 THR A 3 20.408 15.169 14.872 1.00 0.00 C ATOM 0 H THR A 3 19.732 18.547 15.013 1.00 0.00 H new ATOM 0 HA THR A 3 18.413 16.319 14.056 1.00 0.00 H new ATOM 0 HB THR A 3 19.211 15.675 16.602 1.00 0.00 H new ATOM 0 HG1 THR A 3 20.395 17.459 17.055 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.213 14.709 15.444 1.00 0.00 H new ATOM 0 HG22 THR A 3 19.713 14.398 14.539 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.826 15.680 14.005 1.00 0.00 H new ATOM 41 N GLN A 4 16.612 15.535 15.751 1.00 0.00 N ATOM 42 CA GLN A 4 15.248 15.352 16.203 1.00 0.00 C ATOM 43 C GLN A 4 15.097 14.706 17.572 1.00 0.00 C ATOM 44 O GLN A 4 14.034 14.174 17.885 1.00 0.00 O ATOM 45 CB GLN A 4 14.396 14.685 15.125 1.00 0.00 C ATOM 46 CG GLN A 4 14.528 15.278 13.726 1.00 0.00 C ATOM 47 CD GLN A 4 14.116 16.731 13.541 1.00 0.00 C ATOM 48 OE1 GLN A 4 13.491 17.335 14.410 1.00 0.00 O ATOM 49 NE2 GLN A 4 14.444 17.353 12.407 1.00 0.00 N ATOM 0 H GLN A 4 17.068 14.676 15.444 1.00 0.00 H new ATOM 0 HA GLN A 4 14.859 16.357 16.364 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.660 13.628 15.080 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.350 14.740 15.427 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.568 15.180 13.415 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.933 14.670 13.045 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.963 16.855 11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.176 18.327 12.263 1.00 0.00 H new ATOM 58 N ILE A 5 16.174 14.688 18.360 1.00 0.00 N ATOM 59 CA ILE A 5 16.394 13.834 19.510 1.00 0.00 C ATOM 60 C ILE A 5 16.791 14.646 20.734 1.00 0.00 C ATOM 61 O ILE A 5 17.639 15.528 20.607 1.00 0.00 O ATOM 62 CB ILE A 5 17.388 12.749 19.107 1.00 0.00 C ATOM 63 CG1 ILE A 5 17.215 11.467 19.915 1.00 0.00 C ATOM 64 CG2 ILE A 5 18.844 13.203 19.163 1.00 0.00 C ATOM 65 CD1 ILE A 5 15.930 10.744 19.522 1.00 0.00 C ATOM 0 H ILE A 5 16.962 15.314 18.194 1.00 0.00 H new ATOM 0 HA ILE A 5 15.474 13.336 19.816 1.00 0.00 H new ATOM 0 HB ILE A 5 17.151 12.538 18.064 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.070 10.811 19.752 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.193 11.703 20.979 1.00 0.00 H new ATOM 0 HG21 ILE A 5 19.493 12.380 18.864 1.00 0.00 H new ATOM 0 HG22 ILE A 5 18.989 14.045 18.486 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.091 13.509 20.180 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.830 9.833 20.112 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.075 11.394 19.709 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.966 10.488 18.463 1.00 0.00 H new ATOM 77 N GLN A 6 16.213 14.379 21.909 1.00 0.00 N ATOM 78 CA GLN A 6 16.271 15.190 23.107 1.00 0.00 C ATOM 79 C GLN A 6 17.663 15.545 23.612 1.00 0.00 C ATOM 80 O GLN A 6 18.482 14.673 23.894 1.00 0.00 O ATOM 81 CB GLN A 6 15.391 14.620 24.216 1.00 0.00 C ATOM 82 CG GLN A 6 15.843 13.352 24.934 1.00 0.00 C ATOM 83 CD GLN A 6 16.244 12.214 24.008 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.472 11.763 23.165 1.00 0.00 O ATOM 85 NE2 GLN A 6 17.429 11.625 24.181 1.00 0.00 N ATOM 0 H GLN A 6 15.659 13.534 22.047 1.00 0.00 H new ATOM 0 HA GLN A 6 15.863 16.150 22.791 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.263 15.398 24.969 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.407 14.425 23.789 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.688 13.595 25.578 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.037 13.009 25.583 1.00 0.00 H new ATOM 0 HE21 GLN A 6 18.082 11.987 24.876 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.682 10.813 23.618 1.00 0.00 H new ATOM 94 N ALA A 7 17.957 16.832 23.810 1.00 0.00 N ATOM 95 CA ALA A 7 19.042 17.446 24.549 1.00 0.00 C ATOM 96 C ALA A 7 18.870 18.958 24.515 1.00 0.00 C ATOM 97 O ALA A 7 17.915 19.460 23.925 1.00 0.00 O ATOM 98 CB ALA A 7 20.421 17.100 23.993 1.00 0.00 C ATOM 0 H ALA A 7 17.359 17.550 23.401 1.00 0.00 H new ATOM 0 HA ALA A 7 18.995 17.057 25.566 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.188 17.591 24.591 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.568 16.021 24.030 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.493 17.441 22.960 1.00 0.00 H new ATOM 104 N LEU A 8 19.786 19.704 25.137 1.00 0.00 N ATOM 105 CA LEU A 8 19.812 21.148 25.016 1.00 0.00 C ATOM 106 C LEU A 8 20.542 21.566 23.747 1.00 0.00 C ATOM 107 O LEU A 8 21.724 21.275 23.579 1.00 0.00 O ATOM 108 CB LEU A 8 20.448 21.772 26.255 1.00 0.00 C ATOM 109 CG LEU A 8 19.814 23.062 26.766 1.00 0.00 C ATOM 110 CD1 LEU A 8 19.701 24.151 25.705 1.00 0.00 C ATOM 111 CD2 LEU A 8 18.457 22.820 27.421 1.00 0.00 C ATOM 0 H LEU A 8 20.521 19.320 25.732 1.00 0.00 H new ATOM 0 HA LEU A 8 18.787 21.513 24.944 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.422 21.037 27.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.498 21.970 26.037 1.00 0.00 H new ATOM 0 HG LEU A 8 20.505 23.428 27.525 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.241 25.038 26.141 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.695 24.403 25.335 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.086 23.792 24.880 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.046 23.768 27.768 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.777 22.374 26.695 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.577 22.145 28.268 1.00 0.00 H new ATOM 123 N ASP A 9 19.798 22.200 22.837 1.00 0.00 N ATOM 124 CA ASP A 9 20.288 22.703 21.570 1.00 0.00 C ATOM 125 C ASP A 9 21.199 23.912 21.725 1.00 0.00 C ATOM 126 O ASP A 9 21.025 24.746 22.612 1.00 0.00 O ATOM 127 CB ASP A 9 19.054 23.083 20.756 1.00 0.00 C ATOM 128 CG ASP A 9 19.335 23.111 19.261 1.00 0.00 C ATOM 129 OD1 ASP A 9 19.703 24.175 18.716 1.00 0.00 O ATOM 0 H ASP A 9 18.803 22.379 22.976 1.00 0.00 H new ATOM 0 HA ASP A 9 20.891 21.937 21.082 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.254 22.372 20.960 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.698 24.063 21.075 1.00 0.00 H new ATOM 134 N SER A 10 22.183 24.109 20.845 1.00 0.00 N ATOM 135 CA SER A 10 23.030 25.282 20.771 1.00 0.00 C ATOM 136 C SER A 10 22.283 26.585 20.521 1.00 0.00 C ATOM 137 O SER A 10 22.733 27.642 20.957 1.00 0.00 O ATOM 138 CB SER A 10 24.060 25.136 19.654 1.00 0.00 C ATOM 139 OG SER A 10 25.092 24.281 20.092 1.00 0.00 O ATOM 0 H SER A 10 22.415 23.416 20.134 1.00 0.00 H new ATOM 0 HA SER A 10 23.496 25.340 21.755 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.589 24.730 18.758 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.467 26.111 19.387 1.00 0.00 H new ATOM 0 HG SER A 10 24.704 23.449 20.435 1.00 0.00 H new ATOM 145 N VAL A 11 21.165 26.520 19.794 1.00 0.00 N ATOM 146 CA VAL A 11 20.507 27.699 19.268 1.00 0.00 C ATOM 147 C VAL A 11 19.059 27.780 19.730 1.00 0.00 C ATOM 148 O VAL A 11 18.705 28.699 20.465 1.00 0.00 O ATOM 149 CB VAL A 11 20.556 27.757 17.744 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.908 29.037 17.224 1.00 0.00 C ATOM 151 CG2 VAL A 11 22.006 27.732 17.267 1.00 0.00 C ATOM 0 H VAL A 11 20.697 25.645 19.558 1.00 0.00 H new ATOM 0 HA VAL A 11 21.057 28.554 19.661 1.00 0.00 H new ATOM 0 HB VAL A 11 20.013 26.892 17.363 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.956 29.053 16.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.866 29.072 17.541 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.438 29.901 17.623 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.032 27.774 16.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.538 28.591 17.676 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.485 26.813 17.606 1.00 0.00 H new ATOM 161 N SER A 12 18.230 26.816 19.324 1.00 0.00 N ATOM 162 CA SER A 12 16.782 26.870 19.357 1.00 0.00 C ATOM 163 C SER A 12 16.191 25.493 19.627 1.00 0.00 C ATOM 164 O SER A 12 16.698 24.496 19.119 1.00 0.00 O ATOM 165 CB SER A 12 16.181 27.446 18.078 1.00 0.00 C ATOM 166 OG SER A 12 16.677 26.727 16.971 1.00 0.00 O ATOM 0 H SER A 12 18.577 25.935 18.945 1.00 0.00 H new ATOM 0 HA SER A 12 16.523 27.544 20.174 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.093 27.382 18.111 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.435 28.502 17.985 1.00 0.00 H new ATOM 0 HG SER A 12 16.293 27.091 16.146 1.00 0.00 H new ATOM 172 N GLY A 13 15.059 25.424 20.330 1.00 0.00 N ATOM 173 CA GLY A 13 14.387 24.167 20.593 1.00 0.00 C ATOM 174 C GLY A 13 15.113 23.204 21.521 1.00 0.00 C ATOM 175 O GLY A 13 16.066 23.577 22.200 1.00 0.00 O ATOM 0 H GLY A 13 14.591 26.238 20.728 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.408 24.384 21.020 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.215 23.664 19.642 1.00 0.00 H new ATOM 179 N GLN A 14 14.589 21.980 21.622 1.00 0.00 N ATOM 180 CA GLN A 14 14.766 21.037 22.708 1.00 0.00 C ATOM 181 C GLN A 14 15.435 19.750 22.247 1.00 0.00 C ATOM 182 O GLN A 14 15.285 18.733 22.921 1.00 0.00 O ATOM 183 CB GLN A 14 13.418 20.809 23.385 1.00 0.00 C ATOM 184 CG GLN A 14 12.332 20.174 22.522 1.00 0.00 C ATOM 185 CD GLN A 14 11.743 18.880 23.066 1.00 0.00 C ATOM 186 OE1 GLN A 14 10.528 18.727 23.168 1.00 0.00 O ATOM 187 NE2 GLN A 14 12.573 17.870 23.335 1.00 0.00 N ATOM 0 H GLN A 14 13.988 21.603 20.889 1.00 0.00 H new ATOM 0 HA GLN A 14 15.452 21.454 23.445 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.576 20.176 24.259 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.050 21.768 23.748 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.525 20.895 22.393 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.745 19.978 21.533 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.581 18.001 23.249 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.199 16.967 23.627 1.00 0.00 H new ATOM 196 N PHE A 15 16.172 19.760 21.134 1.00 0.00 N ATOM 197 CA PHE A 15 16.899 18.617 20.621 1.00 0.00 C ATOM 198 C PHE A 15 18.388 18.924 20.571 1.00 0.00 C ATOM 199 O PHE A 15 18.797 20.083 20.553 1.00 0.00 O ATOM 200 CB PHE A 15 16.361 18.251 19.240 1.00 0.00 C ATOM 201 CG PHE A 15 14.897 17.895 19.135 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.225 17.254 20.182 1.00 0.00 C ATOM 203 CD2 PHE A 15 14.167 18.291 18.008 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.848 17.011 20.102 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.792 18.050 17.902 1.00 0.00 C ATOM 206 CZ PHE A 15 12.142 17.393 18.954 1.00 0.00 C ATOM 0 H PHE A 15 16.277 20.593 20.554 1.00 0.00 H new ATOM 0 HA PHE A 15 16.757 17.763 21.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.552 19.090 18.571 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.940 17.407 18.866 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.773 16.944 21.059 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.677 18.795 17.200 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.333 16.531 20.921 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.244 18.365 17.026 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.086 17.179 18.880 1.00 0.00 H new ATOM 216 N ARG A 16 19.216 17.879 20.497 1.00 0.00 N ATOM 217 CA ARG A 16 20.661 17.964 20.414 1.00 0.00 C ATOM 218 C ARG A 16 21.112 18.581 19.099 1.00 0.00 C ATOM 219 O ARG A 16 20.311 18.692 18.173 1.00 0.00 O ATOM 220 CB ARG A 16 21.251 16.595 20.740 1.00 0.00 C ATOM 221 CG ARG A 16 21.704 15.749 19.553 1.00 0.00 C ATOM 222 CD ARG A 16 22.130 14.367 20.043 1.00 0.00 C ATOM 223 NE ARG A 16 23.400 14.394 20.769 1.00 0.00 N ATOM 224 CZ ARG A 16 24.617 14.018 20.354 1.00 0.00 C ATOM 225 NH1 ARG A 16 24.834 13.645 19.086 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 25.626 14.029 21.236 1.00 0.00 N ATOM 0 H ARG A 16 18.877 16.917 20.494 1.00 0.00 H new ATOM 0 HA ARG A 16 21.055 18.655 21.160 1.00 0.00 H new ATOM 0 HB2 ARG A 16 22.105 16.740 21.401 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.508 16.027 21.300 1.00 0.00 H new ATOM 0 HG2 ARG A 16 20.894 15.656 18.830 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.534 16.237 19.041 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.354 13.960 20.691 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.218 13.694 19.190 1.00 0.00 H new ATOM 0 HE ARG A 16 23.352 14.749 21.724 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.065 13.644 18.416 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.768 13.362 18.790 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.458 14.319 22.199 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.562 13.747 20.944 1.00 0.00 H new ATOM 240 N ASP A 17 22.382 18.991 19.050 1.00 0.00 N ATOM 241 CA ASP A 17 22.979 19.523 17.842 1.00 0.00 C ATOM 242 C ASP A 17 23.313 18.439 16.827 1.00 0.00 C ATOM 243 O ASP A 17 23.804 17.360 17.150 1.00 0.00 O ATOM 244 CB ASP A 17 24.188 20.382 18.204 1.00 0.00 C ATOM 245 CG ASP A 17 23.836 21.552 19.112 1.00 0.00 C ATOM 246 OD1 ASP A 17 22.883 22.300 18.805 1.00 0.00 O ATOM 247 OD2 ASP A 17 24.528 21.767 20.129 1.00 0.00 O1- ATOM 0 H ASP A 17 23.016 18.960 19.848 1.00 0.00 H new ATOM 0 HA ASP A 17 22.244 20.157 17.346 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.935 19.759 18.696 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.643 20.763 17.290 1.00 0.00 H new ATOM 252 N GLN A 18 23.121 18.763 15.547 1.00 0.00 N ATOM 253 CA GLN A 18 23.242 17.807 14.466 1.00 0.00 C ATOM 254 C GLN A 18 24.677 17.340 14.268 1.00 0.00 C ATOM 255 O GLN A 18 24.943 16.234 13.804 1.00 0.00 O ATOM 256 CB GLN A 18 22.740 18.490 13.197 1.00 0.00 C ATOM 257 CG GLN A 18 22.413 17.508 12.076 1.00 0.00 C ATOM 258 CD GLN A 18 22.027 18.328 10.854 1.00 0.00 C ATOM 259 OE1 GLN A 18 22.899 18.813 10.137 1.00 0.00 O ATOM 260 NE2 GLN A 18 20.742 18.574 10.590 1.00 0.00 N ATOM 0 H GLN A 18 22.876 19.704 15.239 1.00 0.00 H new ATOM 0 HA GLN A 18 22.655 16.920 14.704 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.849 19.072 13.433 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.496 19.193 12.847 1.00 0.00 H new ATOM 0 HG2 GLN A 18 23.272 16.874 11.858 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.597 16.848 12.369 1.00 0.00 H new ATOM 0 HE21 GLN A 18 20.014 18.174 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.488 19.162 9.796 1.00 0.00 H new