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= 0.923 (180deg=-0.181) USER MOD Single : A 3 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 10 SER OG : rot -103:sc= 1.18 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 19.297 21.893 18.479 1.00 0.00 N ATOM 2 CA GLY A 1 19.711 21.507 17.146 1.00 0.00 C ATOM 3 C GLY A 1 18.665 21.531 16.039 1.00 0.00 C ATOM 4 O GLY A 1 17.461 21.672 16.240 1.00 0.00 O ATOM 0 H3 GLY A 1 19.469 21.106 19.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.529 22.162 16.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.116 20.497 17.201 1.00 0.00 H new ATOM 8 N LEU A 2 19.142 21.361 14.803 1.00 0.00 N ATOM 9 CA LEU A 2 18.346 21.026 13.640 1.00 0.00 C ATOM 10 C LEU A 2 17.726 19.637 13.709 1.00 0.00 C ATOM 11 O LEU A 2 16.527 19.436 13.528 1.00 0.00 O ATOM 12 CB LEU A 2 19.270 21.186 12.435 1.00 0.00 C ATOM 13 CG LEU A 2 18.534 21.188 11.098 1.00 0.00 C ATOM 14 CD1 LEU A 2 17.936 22.556 10.780 1.00 0.00 C ATOM 15 CD2 LEU A 2 19.512 20.812 9.989 1.00 0.00 C ATOM 0 H LEU A 2 20.134 21.459 14.586 1.00 0.00 H new ATOM 0 HA LEU A 2 17.484 21.690 13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.827 22.118 12.535 1.00 0.00 H new ATOM 0 HB3 LEU A 2 20.000 20.377 12.437 1.00 0.00 H new ATOM 0 HG LEU A 2 17.720 20.466 11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 2 17.421 22.514 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 2 17.227 22.833 11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 2 18.732 23.299 10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.993 20.811 9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 2 20.326 21.537 9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 2 19.917 19.819 10.183 1.00 0.00 H new ATOM 27 N THR A 3 18.584 18.694 14.107 1.00 0.00 N ATOM 28 CA THR A 3 18.240 17.387 14.630 1.00 0.00 C ATOM 29 C THR A 3 17.190 17.408 15.731 1.00 0.00 C ATOM 30 O THR A 3 16.953 18.445 16.349 1.00 0.00 O ATOM 31 CB THR A 3 19.487 16.682 15.156 1.00 0.00 C ATOM 32 OG1 THR A 3 20.450 17.615 15.595 1.00 0.00 O ATOM 33 CG2 THR A 3 20.188 15.908 14.044 1.00 0.00 C ATOM 0 H THR A 3 19.593 18.839 14.067 1.00 0.00 H new ATOM 0 HA THR A 3 17.806 16.847 13.788 1.00 0.00 H new ATOM 0 HB THR A 3 19.144 16.032 15.961 1.00 0.00 H new ATOM 0 HG1 THR A 3 20.255 17.876 16.519 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.073 15.415 14.446 1.00 0.00 H new ATOM 0 HG22 THR A 3 19.508 15.159 13.638 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.484 16.596 13.252 1.00 0.00 H new ATOM 41 N GLN A 4 16.537 16.264 15.944 1.00 0.00 N ATOM 42 CA GLN A 4 15.351 16.175 16.773 1.00 0.00 C ATOM 43 C GLN A 4 15.389 15.095 17.844 1.00 0.00 C ATOM 44 O GLN A 4 14.335 14.720 18.355 1.00 0.00 O ATOM 45 CB GLN A 4 14.125 16.097 15.867 1.00 0.00 C ATOM 46 CG GLN A 4 13.920 17.325 14.985 1.00 0.00 C ATOM 47 CD GLN A 4 12.592 17.292 14.242 1.00 0.00 C ATOM 48 OE1 GLN A 4 12.447 16.591 13.244 1.00 0.00 O ATOM 49 NE2 GLN A 4 11.567 18.009 14.711 1.00 0.00 N ATOM 0 H GLN A 4 16.824 15.372 15.540 1.00 0.00 H new ATOM 0 HA GLN A 4 15.299 17.084 17.373 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.213 15.217 15.230 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.239 15.956 16.485 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.966 18.223 15.601 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.735 17.391 14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.689 18.591 15.540 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.663 17.975 14.240 1.00 0.00 H new ATOM 58 N ILE A 5 16.575 14.574 18.164 1.00 0.00 N ATOM 59 CA ILE A 5 16.834 13.760 19.335 1.00 0.00 C ATOM 60 C ILE A 5 16.968 14.651 20.561 1.00 0.00 C ATOM 61 O ILE A 5 17.580 15.711 20.456 1.00 0.00 O ATOM 62 CB ILE A 5 18.076 12.904 19.106 1.00 0.00 C ATOM 63 CG1 ILE A 5 18.331 12.017 20.321 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.322 13.704 18.735 1.00 0.00 C ATOM 65 CD1 ILE A 5 19.333 10.901 20.036 1.00 0.00 C ATOM 0 H ILE A 5 17.406 14.717 17.589 1.00 0.00 H new ATOM 0 HA ILE A 5 15.998 13.083 19.511 1.00 0.00 H new ATOM 0 HB ILE A 5 17.867 12.281 18.236 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.701 12.631 21.142 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.389 11.579 20.650 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.161 13.024 18.589 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.138 14.257 17.814 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.557 14.404 19.537 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.476 10.302 20.935 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.954 10.267 19.234 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.286 11.336 19.735 1.00 0.00 H new ATOM 77 N GLN A 6 16.461 14.267 21.735 1.00 0.00 N ATOM 78 CA GLN A 6 16.412 15.106 22.916 1.00 0.00 C ATOM 79 C GLN A 6 17.771 15.511 23.471 1.00 0.00 C ATOM 80 O GLN A 6 18.611 14.634 23.662 1.00 0.00 O ATOM 81 CB GLN A 6 15.463 14.516 23.956 1.00 0.00 C ATOM 82 CG GLN A 6 15.824 13.126 24.472 1.00 0.00 C ATOM 83 CD GLN A 6 16.402 13.136 25.880 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.712 12.907 26.872 1.00 0.00 O ATOM 85 NE2 GLN A 6 17.696 13.415 26.048 1.00 0.00 N ATOM 0 H GLN A 6 16.065 13.339 21.885 1.00 0.00 H new ATOM 0 HA GLN A 6 15.995 16.062 22.600 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.416 15.197 24.805 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.463 14.474 23.525 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.933 12.498 24.457 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.546 12.671 23.794 1.00 0.00 H new ATOM 0 HE21 GLN A 6 18.285 13.608 25.238 1.00 0.00 H new ATOM 0 HE22 GLN A 6 18.096 13.435 26.986 1.00 0.00 H new ATOM 94 N ALA A 7 17.974 16.791 23.787 1.00 0.00 N ATOM 95 CA ALA A 7 19.025 17.416 24.567 1.00 0.00 C ATOM 96 C ALA A 7 18.674 18.886 24.742 1.00 0.00 C ATOM 97 O ALA A 7 17.541 19.296 24.497 1.00 0.00 O ATOM 98 CB ALA A 7 20.366 17.263 23.855 1.00 0.00 C ATOM 0 H ALA A 7 17.317 17.497 23.456 1.00 0.00 H new ATOM 0 HA ALA A 7 19.109 16.938 25.543 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.149 17.735 24.448 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.593 16.204 23.731 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.315 17.740 22.876 1.00 0.00 H new ATOM 104 N LEU A 8 19.597 19.748 25.174 1.00 0.00 N ATOM 105 CA LEU A 8 19.532 21.166 24.884 1.00 0.00 C ATOM 106 C LEU A 8 20.246 21.528 23.589 1.00 0.00 C ATOM 107 O LEU A 8 21.337 21.010 23.367 1.00 0.00 O ATOM 108 CB LEU A 8 20.062 21.954 26.079 1.00 0.00 C ATOM 109 CG LEU A 8 19.994 23.466 25.888 1.00 0.00 C ATOM 110 CD1 LEU A 8 18.596 24.078 25.882 1.00 0.00 C ATOM 111 CD2 LEU A 8 20.761 24.130 27.028 1.00 0.00 C ATOM 0 H LEU A 8 20.405 19.475 25.733 1.00 0.00 H new ATOM 0 HA LEU A 8 18.489 21.438 24.724 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.491 21.682 26.966 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.096 21.665 26.265 1.00 0.00 H new ATOM 0 HG LEU A 8 20.415 23.643 24.898 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.671 25.156 25.739 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.012 23.644 25.070 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.104 23.871 26.833 1.00 0.00 H new ATOM 0 HD21 LEU A 8 20.724 25.213 26.909 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.308 23.854 27.980 1.00 0.00 H new ATOM 0 HD23 LEU A 8 21.799 23.798 27.010 1.00 0.00 H new ATOM 123 N ASP A 9 19.645 22.379 22.754 1.00 0.00 N ATOM 124 CA ASP A 9 20.200 22.827 21.493 1.00 0.00 C ATOM 125 C ASP A 9 21.043 24.087 21.621 1.00 0.00 C ATOM 126 O ASP A 9 20.831 24.912 22.508 1.00 0.00 O ATOM 127 CB ASP A 9 19.026 23.145 20.571 1.00 0.00 C ATOM 128 CG ASP A 9 19.399 23.072 19.098 1.00 0.00 C ATOM 129 OD1 ASP A 9 19.816 24.106 18.532 1.00 0.00 O ATOM 0 H ASP A 9 18.730 22.783 22.952 1.00 0.00 H new ATOM 0 HA ASP A 9 20.849 22.038 21.113 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.213 22.447 20.771 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.652 24.143 20.798 1.00 0.00 H new ATOM 134 N SER A 10 22.020 24.234 20.722 1.00 0.00 N ATOM 135 CA SER A 10 22.836 25.425 20.599 1.00 0.00 C ATOM 136 C SER A 10 21.985 26.671 20.392 1.00 0.00 C ATOM 137 O SER A 10 22.142 27.613 21.165 1.00 0.00 O ATOM 138 CB SER A 10 23.803 25.314 19.424 1.00 0.00 C ATOM 139 OG SER A 10 23.159 25.024 18.204 1.00 0.00 O ATOM 0 H SER A 10 22.264 23.507 20.049 1.00 0.00 H new ATOM 0 HA SER A 10 23.391 25.512 21.533 1.00 0.00 H new ATOM 0 HB2 SER A 10 24.353 26.250 19.324 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.535 24.535 19.636 1.00 0.00 H new ATOM 0 HG SER A 10 23.292 24.079 17.980 1.00 0.00 H new ATOM 145 N VAL A 11 21.127 26.709 19.370 1.00 0.00 N ATOM 146 CA VAL A 11 20.414 27.904 18.970 1.00 0.00 C ATOM 147 C VAL A 11 19.048 27.919 19.643 1.00 0.00 C ATOM 148 O VAL A 11 18.733 28.890 20.327 1.00 0.00 O ATOM 149 CB VAL A 11 20.264 27.994 17.455 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.619 29.314 17.040 1.00 0.00 C ATOM 151 CG2 VAL A 11 21.622 27.953 16.758 1.00 0.00 C ATOM 0 H VAL A 11 20.911 25.895 18.795 1.00 0.00 H new ATOM 0 HA VAL A 11 20.992 28.773 19.286 1.00 0.00 H new ATOM 0 HB VAL A 11 19.647 27.144 17.165 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.526 29.348 15.955 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.630 29.394 17.492 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.240 30.144 17.377 1.00 0.00 H new ATOM 0 HG21 VAL A 11 21.480 28.019 15.679 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.230 28.792 17.096 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.127 27.018 17.001 1.00 0.00 H new ATOM 161 N SER A 12 18.213 26.906 19.395 1.00 0.00 N ATOM 162 CA SER A 12 16.819 26.844 19.787 1.00 0.00 C ATOM 163 C SER A 12 16.236 25.439 19.830 1.00 0.00 C ATOM 164 O SER A 12 16.729 24.527 19.169 1.00 0.00 O ATOM 165 CB SER A 12 16.012 27.725 18.838 1.00 0.00 C ATOM 166 OG SER A 12 15.941 27.136 17.558 1.00 0.00 O ATOM 0 H SER A 12 18.514 26.072 18.891 1.00 0.00 H new ATOM 0 HA SER A 12 16.760 27.204 20.814 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.007 27.871 19.234 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.473 28.710 18.767 1.00 0.00 H new ATOM 0 HG SER A 12 15.419 27.712 16.961 1.00 0.00 H new ATOM 172 N GLY A 13 15.106 25.273 20.523 1.00 0.00 N ATOM 173 CA GLY A 13 14.473 23.983 20.705 1.00 0.00 C ATOM 174 C GLY A 13 15.117 23.077 21.745 1.00 0.00 C ATOM 175 O GLY A 13 16.106 23.415 22.392 1.00 0.00 O ATOM 0 H GLY A 13 14.609 26.041 20.973 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.432 24.145 20.985 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.468 23.462 19.748 1.00 0.00 H new ATOM 179 N GLN A 14 14.536 21.885 21.900 1.00 0.00 N ATOM 180 CA GLN A 14 14.763 20.942 22.977 1.00 0.00 C ATOM 181 C GLN A 14 15.459 19.689 22.467 1.00 0.00 C ATOM 182 O GLN A 14 15.208 18.589 22.957 1.00 0.00 O ATOM 183 CB GLN A 14 13.419 20.642 23.634 1.00 0.00 C ATOM 184 CG GLN A 14 12.683 21.899 24.092 1.00 0.00 C ATOM 185 CD GLN A 14 11.514 21.605 25.020 1.00 0.00 C ATOM 186 OE1 GLN A 14 10.407 21.345 24.555 1.00 0.00 O ATOM 187 NE2 GLN A 14 11.685 21.660 26.344 1.00 0.00 N ATOM 0 H GLN A 14 13.851 21.538 21.228 1.00 0.00 H new ATOM 0 HA GLN A 14 15.432 21.368 23.724 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.791 20.096 22.930 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.578 19.988 24.492 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.386 22.558 24.601 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.318 22.437 23.217 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.604 21.876 26.731 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.897 21.486 26.968 1.00 0.00 H new ATOM 196 N PHE A 15 16.328 19.842 21.465 1.00 0.00 N ATOM 197 CA PHE A 15 17.016 18.753 20.802 1.00 0.00 C ATOM 198 C PHE A 15 18.519 18.956 20.673 1.00 0.00 C ATOM 199 O PHE A 15 18.994 20.088 20.628 1.00 0.00 O ATOM 200 CB PHE A 15 16.365 18.544 19.439 1.00 0.00 C ATOM 201 CG PHE A 15 14.886 18.242 19.498 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.396 17.262 20.370 1.00 0.00 C ATOM 203 CD2 PHE A 15 14.010 18.963 18.677 1.00 0.00 C ATOM 204 CE1 PHE A 15 13.027 16.973 20.418 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.639 18.699 18.761 1.00 0.00 C ATOM 206 CZ PHE A 15 12.143 17.718 19.628 1.00 0.00 C ATOM 0 H PHE A 15 16.573 20.758 21.088 1.00 0.00 H new ATOM 0 HA PHE A 15 16.914 17.862 21.422 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.518 19.438 18.835 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.872 17.725 18.929 1.00 0.00 H new ATOM 0 HD1 PHE A 15 15.080 16.725 21.011 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.386 19.709 17.992 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.657 16.185 21.057 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.951 19.261 18.147 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.080 17.536 19.687 1.00 0.00 H new ATOM 216 N ARG A 16 19.285 17.869 20.545 1.00 0.00 N ATOM 217 CA ARG A 16 20.719 17.920 20.349 1.00 0.00 C ATOM 218 C ARG A 16 21.037 18.443 18.955 1.00 0.00 C ATOM 219 O ARG A 16 20.240 18.365 18.023 1.00 0.00 O ATOM 220 CB ARG A 16 21.362 16.588 20.724 1.00 0.00 C ATOM 221 CG ARG A 16 22.132 15.902 19.600 1.00 0.00 C ATOM 222 CD ARG A 16 22.605 14.523 20.051 1.00 0.00 C ATOM 223 NE ARG A 16 23.798 14.634 20.890 1.00 0.00 N ATOM 224 CZ ARG A 16 25.030 14.234 20.546 1.00 0.00 C ATOM 225 NH1 ARG A 16 25.324 13.856 19.295 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 25.984 14.183 21.486 1.00 0.00 N ATOM 0 H ARG A 16 18.912 16.920 20.576 1.00 0.00 H new ATOM 0 HA ARG A 16 21.177 18.638 21.029 1.00 0.00 H new ATOM 0 HB2 ARG A 16 22.041 16.753 21.561 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.582 15.912 21.075 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.497 15.807 18.719 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.988 16.512 19.311 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.810 14.024 20.605 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.823 13.905 19.180 1.00 0.00 H new ATOM 0 HE ARG A 16 23.683 15.051 21.814 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.601 13.868 18.575 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.271 13.556 19.062 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.767 14.447 22.447 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.927 13.881 21.240 1.00 0.00 H new ATOM 240 N ASP A 17 22.235 19.017 18.826 1.00 0.00 N ATOM 241 CA ASP A 17 22.799 19.539 17.597 1.00 0.00 C ATOM 242 C ASP A 17 23.343 18.415 16.726 1.00 0.00 C ATOM 243 O ASP A 17 23.801 17.369 17.182 1.00 0.00 O ATOM 244 CB ASP A 17 23.883 20.555 17.942 1.00 0.00 C ATOM 245 CG ASP A 17 23.268 21.705 18.726 1.00 0.00 C ATOM 246 OD1 ASP A 17 22.652 22.558 18.049 1.00 0.00 O1- ATOM 247 OD2 ASP A 17 23.381 21.767 19.969 1.00 0.00 O ATOM 0 H ASP A 17 22.863 19.132 19.621 1.00 0.00 H new ATOM 0 HA ASP A 17 22.019 20.036 17.020 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.669 20.079 18.529 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.349 20.930 17.031 1.00 0.00 H new ATOM 252 N GLN A 18 23.240 18.622 15.411 1.00 0.00 N ATOM 253 CA GLN A 18 23.468 17.625 14.385 1.00 0.00 C ATOM 254 C GLN A 18 24.863 17.019 14.349 1.00 0.00 C ATOM 255 O GLN A 18 25.031 15.901 13.866 1.00 0.00 O ATOM 256 CB GLN A 18 22.982 18.201 13.058 1.00 0.00 C ATOM 257 CG GLN A 18 23.026 17.159 11.944 1.00 0.00 C ATOM 258 CD GLN A 18 22.198 17.560 10.730 1.00 0.00 C ATOM 259 OE1 GLN A 18 21.162 16.970 10.436 1.00 0.00 O ATOM 260 NE2 GLN A 18 22.587 18.595 9.983 1.00 0.00 N ATOM 0 H GLN A 18 22.984 19.531 15.025 1.00 0.00 H new ATOM 0 HA GLN A 18 22.882 16.739 14.631 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.963 18.570 13.172 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.601 19.055 12.783 1.00 0.00 H new ATOM 0 HG2 GLN A 18 24.061 17.004 11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 18 22.661 16.206 12.329 1.00 0.00 H new ATOM 0 HE21 GLN A 18 23.445 19.096 10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 18 22.026 18.885 9.182 1.00 0.00 H new