USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 146 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+ -179:sc= -0.42 (180deg=-0.423) USER MOD Single : A 3 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc=-0.00394 K(o=-0.0039,f=-0.83) USER MOD Single : A 10 SER OG : rot 71:sc= 1.21 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= 0.754 K(o=0.75,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.199 22.206 18.663 1.00 0.00 N ATOM 2 CA GLY A 1 19.728 21.863 17.359 1.00 0.00 C ATOM 3 C GLY A 1 18.741 21.165 16.434 1.00 0.00 C ATOM 4 O GLY A 1 17.573 21.020 16.789 1.00 0.00 O ATOM 0 H3 GLY A 1 19.932 22.691 19.218 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.078 22.774 16.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.597 21.219 17.493 1.00 0.00 H new ATOM 8 N LEU A 2 19.223 20.749 15.261 1.00 0.00 N ATOM 9 CA LEU A 2 18.390 20.374 14.136 1.00 0.00 C ATOM 10 C LEU A 2 18.336 18.870 13.902 1.00 0.00 C ATOM 11 O LEU A 2 18.057 18.445 12.783 1.00 0.00 O ATOM 12 CB LEU A 2 18.781 21.201 12.915 1.00 0.00 C ATOM 13 CG LEU A 2 18.679 22.719 13.029 1.00 0.00 C ATOM 14 CD1 LEU A 2 19.128 23.388 11.732 1.00 0.00 C ATOM 15 CD2 LEU A 2 17.240 23.166 13.267 1.00 0.00 C ATOM 0 H LEU A 2 20.222 20.665 15.072 1.00 0.00 H new ATOM 0 HA LEU A 2 17.353 20.617 14.368 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.810 20.952 12.656 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.156 20.884 12.080 1.00 0.00 H new ATOM 0 HG LEU A 2 19.314 23.007 13.867 1.00 0.00 H new ATOM 0 HD11 LEU A 2 19.048 24.470 11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 2 20.164 23.119 11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 2 18.494 23.053 10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 2 17.204 24.253 13.343 1.00 0.00 H new ATOM 0 HD22 LEU A 2 16.615 22.840 12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 2 16.870 22.725 14.193 1.00 0.00 H new ATOM 27 N THR A 3 18.592 18.063 14.934 1.00 0.00 N ATOM 28 CA THR A 3 18.202 16.675 15.080 1.00 0.00 C ATOM 29 C THR A 3 16.762 16.497 15.541 1.00 0.00 C ATOM 30 O THR A 3 15.996 17.453 15.452 1.00 0.00 O ATOM 31 CB THR A 3 19.150 15.929 16.014 1.00 0.00 C ATOM 32 OG1 THR A 3 18.932 16.359 17.339 1.00 0.00 O ATOM 33 CG2 THR A 3 20.631 16.137 15.709 1.00 0.00 C ATOM 0 H THR A 3 19.116 18.395 15.744 1.00 0.00 H new ATOM 0 HA THR A 3 18.270 16.243 14.081 1.00 0.00 H new ATOM 0 HB THR A 3 18.929 14.872 15.869 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.271 17.272 17.447 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.232 15.571 16.421 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.846 15.792 14.698 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.874 17.196 15.791 1.00 0.00 H new ATOM 41 N GLN A 4 16.383 15.313 16.029 1.00 0.00 N ATOM 42 CA GLN A 4 15.115 15.045 16.677 1.00 0.00 C ATOM 43 C GLN A 4 15.227 14.391 18.047 1.00 0.00 C ATOM 44 O GLN A 4 14.210 14.156 18.695 1.00 0.00 O ATOM 45 CB GLN A 4 14.243 14.160 15.790 1.00 0.00 C ATOM 46 CG GLN A 4 14.047 14.712 14.381 1.00 0.00 C ATOM 47 CD GLN A 4 12.912 13.981 13.677 1.00 0.00 C ATOM 48 OE1 GLN A 4 13.029 12.813 13.312 1.00 0.00 O ATOM 49 NE2 GLN A 4 11.757 14.600 13.423 1.00 0.00 N ATOM 0 H GLN A 4 16.981 14.488 15.977 1.00 0.00 H new ATOM 0 HA GLN A 4 14.666 16.026 16.830 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.694 13.170 15.724 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.268 14.036 16.261 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.827 15.778 14.429 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.968 14.602 13.809 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.624 15.569 13.711 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.008 14.104 12.941 1.00 0.00 H new ATOM 58 N ILE A 5 16.432 14.173 18.578 1.00 0.00 N ATOM 59 CA ILE A 5 16.681 13.594 19.883 1.00 0.00 C ATOM 60 C ILE A 5 16.693 14.645 20.983 1.00 0.00 C ATOM 61 O ILE A 5 17.334 15.684 20.831 1.00 0.00 O ATOM 62 CB ILE A 5 17.922 12.710 19.801 1.00 0.00 C ATOM 63 CG1 ILE A 5 18.044 11.705 20.945 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.200 13.541 19.746 1.00 0.00 C ATOM 65 CD1 ILE A 5 17.080 10.525 20.869 1.00 0.00 C ATOM 0 H ILE A 5 17.292 14.408 18.082 1.00 0.00 H new ATOM 0 HA ILE A 5 15.856 12.945 20.177 1.00 0.00 H new ATOM 0 HB ILE A 5 17.796 12.147 18.876 1.00 0.00 H new ATOM 0 HG12 ILE A 5 19.064 11.321 20.965 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.882 12.228 21.887 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.063 12.878 19.688 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.178 14.185 18.867 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.274 14.155 20.644 1.00 0.00 H new ATOM 0 HD11 ILE A 5 17.242 9.867 21.723 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.054 10.892 20.883 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.255 9.971 19.946 1.00 0.00 H new ATOM 77 N GLN A 6 15.914 14.487 22.055 1.00 0.00 N ATOM 78 CA GLN A 6 15.764 15.460 23.117 1.00 0.00 C ATOM 79 C GLN A 6 17.058 15.704 23.879 1.00 0.00 C ATOM 80 O GLN A 6 17.444 14.850 24.673 1.00 0.00 O ATOM 81 CB GLN A 6 14.640 15.038 24.060 1.00 0.00 C ATOM 82 CG GLN A 6 13.266 15.250 23.430 1.00 0.00 C ATOM 83 CD GLN A 6 12.155 14.574 24.220 1.00 0.00 C ATOM 84 OE1 GLN A 6 12.350 13.741 25.102 1.00 0.00 O ATOM 85 NE2 GLN A 6 10.899 14.913 23.920 1.00 0.00 N ATOM 0 H GLN A 6 15.355 13.647 22.204 1.00 0.00 H new ATOM 0 HA GLN A 6 15.501 16.410 22.652 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.761 13.987 24.324 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.708 15.609 24.986 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.061 16.318 23.362 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.272 14.861 22.412 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.717 15.603 23.191 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.121 14.482 24.420 1.00 0.00 H new ATOM 94 N ALA A 7 17.731 16.831 23.636 1.00 0.00 N ATOM 95 CA ALA A 7 18.927 17.355 24.264 1.00 0.00 C ATOM 96 C ALA A 7 18.959 18.875 24.193 1.00 0.00 C ATOM 97 O ALA A 7 18.298 19.484 23.354 1.00 0.00 O ATOM 98 CB ALA A 7 20.145 16.782 23.546 1.00 0.00 C ATOM 0 H ALA A 7 17.405 17.466 22.907 1.00 0.00 H new ATOM 0 HA ALA A 7 18.934 17.066 25.315 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.054 17.167 24.008 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.133 15.695 23.621 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.119 17.074 22.496 1.00 0.00 H new ATOM 104 N LEU A 8 19.796 19.543 24.991 1.00 0.00 N ATOM 105 CA LEU A 8 19.972 20.981 24.950 1.00 0.00 C ATOM 106 C LEU A 8 20.597 21.430 23.637 1.00 0.00 C ATOM 107 O LEU A 8 21.731 21.084 23.314 1.00 0.00 O ATOM 108 CB LEU A 8 20.871 21.382 26.116 1.00 0.00 C ATOM 109 CG LEU A 8 20.173 21.317 27.472 1.00 0.00 C ATOM 110 CD1 LEU A 8 21.281 21.279 28.521 1.00 0.00 C ATOM 111 CD2 LEU A 8 19.237 22.499 27.709 1.00 0.00 C ATOM 0 H LEU A 8 20.376 19.084 25.693 1.00 0.00 H new ATOM 0 HA LEU A 8 18.997 21.463 25.028 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.743 20.729 26.133 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.235 22.396 25.952 1.00 0.00 H new ATOM 0 HG LEU A 8 19.537 20.433 27.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.839 21.232 29.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.905 20.400 28.359 1.00 0.00 H new ATOM 0 HD13 LEU A 8 21.892 22.178 28.438 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.768 22.401 28.688 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.807 23.428 27.671 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.467 22.514 26.938 1.00 0.00 H new ATOM 123 N ASP A 9 19.834 22.180 22.838 1.00 0.00 N ATOM 124 CA ASP A 9 20.314 22.721 21.583 1.00 0.00 C ATOM 125 C ASP A 9 21.351 23.810 21.824 1.00 0.00 C ATOM 126 O ASP A 9 21.310 24.462 22.864 1.00 0.00 O ATOM 127 CB ASP A 9 19.107 23.274 20.828 1.00 0.00 C ATOM 128 CG ASP A 9 19.332 23.358 19.326 1.00 0.00 C ATOM 129 OD1 ASP A 9 19.855 24.386 18.841 1.00 0.00 O ATOM 0 H ASP A 9 18.867 22.424 23.051 1.00 0.00 H new ATOM 0 HA ASP A 9 20.802 21.943 20.996 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.241 22.642 21.025 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.870 24.267 21.210 1.00 0.00 H new ATOM 134 N SER A 10 22.223 24.094 20.855 1.00 0.00 N ATOM 135 CA SER A 10 23.118 25.235 20.880 1.00 0.00 C ATOM 136 C SER A 10 22.405 26.562 20.665 1.00 0.00 C ATOM 137 O SER A 10 22.818 27.587 21.205 1.00 0.00 O ATOM 138 CB SER A 10 24.151 25.121 19.763 1.00 0.00 C ATOM 139 OG SER A 10 25.160 24.218 20.156 1.00 0.00 O ATOM 0 H SER A 10 22.323 23.521 20.017 1.00 0.00 H new ATOM 0 HA SER A 10 23.572 25.223 21.871 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.675 24.776 18.845 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.584 26.099 19.550 1.00 0.00 H new ATOM 0 HG SER A 10 24.801 23.306 20.157 1.00 0.00 H new ATOM 145 N VAL A 11 21.299 26.543 19.919 1.00 0.00 N ATOM 146 CA VAL A 11 20.596 27.692 19.385 1.00 0.00 C ATOM 147 C VAL A 11 19.171 27.746 19.915 1.00 0.00 C ATOM 148 O VAL A 11 18.901 28.569 20.787 1.00 0.00 O ATOM 149 CB VAL A 11 20.610 27.658 17.860 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.981 28.919 17.272 1.00 0.00 C ATOM 151 CG2 VAL A 11 22.024 27.575 17.294 1.00 0.00 C ATOM 0 H VAL A 11 20.849 25.665 19.660 1.00 0.00 H new ATOM 0 HA VAL A 11 21.109 28.596 19.713 1.00 0.00 H new ATOM 0 HB VAL A 11 20.043 26.768 17.587 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.006 28.865 16.184 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.947 29.000 17.608 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.540 29.794 17.604 1.00 0.00 H new ATOM 0 HG21 VAL A 11 21.979 27.553 16.205 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.597 28.445 17.617 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.508 26.668 17.655 1.00 0.00 H new ATOM 161 N SER A 12 18.290 26.864 19.436 1.00 0.00 N ATOM 162 CA SER A 12 16.850 26.966 19.571 1.00 0.00 C ATOM 163 C SER A 12 16.185 25.598 19.542 1.00 0.00 C ATOM 164 O SER A 12 16.619 24.665 18.870 1.00 0.00 O ATOM 165 CB SER A 12 16.261 27.818 18.450 1.00 0.00 C ATOM 166 OG SER A 12 16.527 29.188 18.646 1.00 0.00 O ATOM 0 H SER A 12 18.580 26.030 18.925 1.00 0.00 H new ATOM 0 HA SER A 12 16.656 27.435 20.536 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.676 27.499 17.494 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.184 27.659 18.399 1.00 0.00 H new ATOM 0 HG SER A 12 16.138 29.705 17.910 1.00 0.00 H new ATOM 172 N GLY A 13 15.053 25.494 20.242 1.00 0.00 N ATOM 173 CA GLY A 13 14.372 24.239 20.487 1.00 0.00 C ATOM 174 C GLY A 13 15.078 23.343 21.494 1.00 0.00 C ATOM 175 O GLY A 13 15.993 23.741 22.212 1.00 0.00 O ATOM 0 H GLY A 13 14.583 26.298 20.658 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.364 24.447 20.845 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.271 23.701 19.544 1.00 0.00 H new ATOM 179 N GLN A 14 14.613 22.093 21.555 1.00 0.00 N ATOM 180 CA GLN A 14 14.864 21.113 22.593 1.00 0.00 C ATOM 181 C GLN A 14 15.497 19.821 22.099 1.00 0.00 C ATOM 182 O GLN A 14 15.423 18.812 22.799 1.00 0.00 O ATOM 183 CB GLN A 14 13.580 20.898 23.389 1.00 0.00 C ATOM 184 CG GLN A 14 12.420 20.343 22.569 1.00 0.00 C ATOM 185 CD GLN A 14 11.192 20.144 23.446 1.00 0.00 C ATOM 186 OE1 GLN A 14 10.726 19.042 23.724 1.00 0.00 O ATOM 187 NE2 GLN A 14 10.547 21.210 23.924 1.00 0.00 N ATOM 0 H GLN A 14 14.008 21.721 20.823 1.00 0.00 H new ATOM 0 HA GLN A 14 15.629 21.515 23.257 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.787 20.215 24.213 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.276 21.847 23.830 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.184 21.026 21.753 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.708 19.394 22.117 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.893 22.148 23.722 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.708 21.087 24.491 1.00 0.00 H new ATOM 196 N PHE A 15 16.086 19.802 20.901 1.00 0.00 N ATOM 197 CA PHE A 15 16.839 18.668 20.404 1.00 0.00 C ATOM 198 C PHE A 15 18.336 18.927 20.330 1.00 0.00 C ATOM 199 O PHE A 15 18.781 20.073 20.345 1.00 0.00 O ATOM 200 CB PHE A 15 16.327 18.292 19.017 1.00 0.00 C ATOM 201 CG PHE A 15 14.840 18.067 18.889 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.095 17.410 19.875 1.00 0.00 C ATOM 203 CD2 PHE A 15 14.264 18.556 17.710 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.749 17.105 19.634 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.885 18.365 17.567 1.00 0.00 C ATOM 206 CZ PHE A 15 12.127 17.659 18.508 1.00 0.00 C ATOM 0 H PHE A 15 16.048 20.585 20.249 1.00 0.00 H new ATOM 0 HA PHE A 15 16.690 17.854 21.113 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.614 19.080 18.321 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.839 17.384 18.698 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.554 17.140 20.815 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.852 19.053 16.953 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.202 16.456 20.302 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.389 18.777 16.701 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.063 17.541 18.366 1.00 0.00 H new ATOM 216 N ARG A 16 19.132 17.879 20.107 1.00 0.00 N ATOM 217 CA ARG A 16 20.563 17.922 19.886 1.00 0.00 C ATOM 218 C ARG A 16 20.928 18.682 18.619 1.00 0.00 C ATOM 219 O ARG A 16 20.151 18.748 17.669 1.00 0.00 O ATOM 220 CB ARG A 16 21.046 16.474 19.905 1.00 0.00 C ATOM 221 CG ARG A 16 22.557 16.300 20.017 1.00 0.00 C ATOM 222 CD ARG A 16 22.870 14.822 20.235 1.00 0.00 C ATOM 223 NE ARG A 16 24.309 14.563 20.255 1.00 0.00 N ATOM 224 CZ ARG A 16 24.980 13.800 21.129 1.00 0.00 C ATOM 225 NH1 ARG A 16 24.419 13.259 22.219 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 26.286 13.560 20.948 1.00 0.00 N ATOM 0 H ARG A 16 18.766 16.928 20.076 1.00 0.00 H new ATOM 0 HA ARG A 16 21.070 18.484 20.670 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.573 15.960 20.742 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.705 15.981 18.995 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.046 16.659 19.111 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.944 16.893 20.845 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.430 14.493 21.176 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.407 14.233 19.443 1.00 0.00 H new ATOM 0 HE ARG A 16 24.862 15.012 19.525 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.432 13.420 22.418 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.979 12.686 22.850 1.00 0.00 H new ATOM 0 HH21 ARG A 16 26.771 13.958 20.144 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.795 12.979 21.614 1.00 0.00 H new ATOM 240 N ASP A 17 22.176 19.152 18.547 1.00 0.00 N ATOM 241 CA ASP A 17 22.776 19.666 17.332 1.00 0.00 C ATOM 242 C ASP A 17 23.241 18.531 16.429 1.00 0.00 C ATOM 243 O ASP A 17 23.706 17.514 16.938 1.00 0.00 O ATOM 244 CB ASP A 17 23.914 20.637 17.630 1.00 0.00 C ATOM 245 CG ASP A 17 23.557 21.660 18.699 1.00 0.00 C ATOM 246 OD1 ASP A 17 22.617 22.462 18.513 1.00 0.00 O ATOM 247 OD2 ASP A 17 24.234 21.702 19.749 1.00 0.00 O1- ATOM 0 H ASP A 17 22.802 19.183 19.352 1.00 0.00 H new ATOM 0 HA ASP A 17 22.007 20.225 16.800 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.790 20.074 17.952 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.189 21.158 16.713 1.00 0.00 H new ATOM 252 N GLN A 18 23.123 18.700 15.111 1.00 0.00 N ATOM 253 CA GLN A 18 23.565 17.748 14.113 1.00 0.00 C ATOM 254 C GLN A 18 25.057 17.456 14.167 1.00 0.00 C ATOM 255 O GLN A 18 25.510 16.400 13.730 1.00 0.00 O ATOM 256 CB GLN A 18 23.213 18.228 12.707 1.00 0.00 C ATOM 257 CG GLN A 18 21.711 18.251 12.436 1.00 0.00 C ATOM 258 CD GLN A 18 21.379 18.816 11.062 1.00 0.00 C ATOM 259 OE1 GLN A 18 22.238 19.086 10.227 1.00 0.00 O ATOM 260 NE2 GLN A 18 20.099 19.078 10.785 1.00 0.00 N ATOM 0 H GLN A 18 22.701 19.535 14.704 1.00 0.00 H new ATOM 0 HA GLN A 18 23.037 16.823 14.346 1.00 0.00 H new ATOM 0 HB2 GLN A 18 23.617 19.230 12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.697 17.579 11.977 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.314 17.239 12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.215 18.848 13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.374 18.859 11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.846 19.497 9.890 1.00 0.00 H new ATOM 269 N LEU A 19 25.828 18.403 14.708 1.00 0.00 N ATOM 270 CA LEU A 19 27.247 18.389 15.000 1.00 0.00 C ATOM 271 C LEU A 19 27.515 17.391 16.118 1.00 0.00 C ATOM 272 O LEU A 19 27.667 17.779 17.275 1.00 0.00 O ATOM 273 CB LEU A 19 27.674 19.811 15.350 1.00 0.00 C ATOM 274 CG LEU A 19 27.770 20.820 14.209 1.00 0.00 C ATOM 275 CD1 LEU A 19 26.447 21.193 13.548 1.00 0.00 C ATOM 276 CD2 LEU A 19 28.375 22.060 14.860 1.00 0.00 C ATOM 0 H LEU A 19 25.416 19.296 14.979 1.00 0.00 H new ATOM 0 HA LEU A 19 27.836 18.067 14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.971 20.202 16.086 1.00 0.00 H new ATOM 0 HB3 LEU A 19 28.648 19.759 15.836 1.00 0.00 H new ATOM 0 HG LEU A 19 28.354 20.386 13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.629 21.915 12.752 1.00 0.00 H new ATOM 0 HD12 LEU A 19 25.985 20.299 13.129 1.00 0.00 H new ATOM 0 HD13 LEU A 19 25.780 21.632 14.290 1.00 0.00 H new ATOM 0 HD21 LEU A 19 28.484 22.847 14.113 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.721 22.407 15.660 1.00 0.00 H new ATOM 0 HD23 LEU A 19 29.353 21.814 15.273 1.00 0.00 H new ATOM 288 N GLY A 20 27.568 16.096 15.798 1.00 0.00 N ATOM 289 CA GLY A 20 28.040 15.021 16.647 1.00 0.00 C ATOM 290 C GLY A 20 27.257 14.813 17.935 1.00 0.00 C ATOM 291 O GLY A 20 27.920 14.575 18.967 1.00 0.00 O ATOM 292 OXT GLY A 20 26.007 14.853 17.926 1.00 0.00 O ATOM 0 H GLY A 20 27.263 15.759 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.018 14.093 16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.082 15.214 16.903 1.00 0.00 H new TER 296 GLY A 20