USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=3 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+ 180:sc= -0.328 (180deg=-0.328) USER MOD Single : A 3 THR OG1 : rot -103:sc= 1.23 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.0225 X(o=0.023,f=-0.44) USER MOD Single : A 10 SER OG : rot 65:sc= 0.868 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 18 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.305 22.315 18.595 1.00 0.00 N ATOM 2 CA GLY A 1 19.870 21.986 17.303 1.00 0.00 C ATOM 3 C GLY A 1 18.922 21.206 16.403 1.00 0.00 C ATOM 4 O GLY A 1 17.842 20.827 16.850 1.00 0.00 O ATOM 0 H3 GLY A 1 20.003 22.845 19.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.161 22.907 16.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.779 21.403 17.451 1.00 0.00 H new ATOM 8 N LEU A 2 19.316 20.996 15.145 1.00 0.00 N ATOM 9 CA LEU A 2 18.461 20.588 14.050 1.00 0.00 C ATOM 10 C LEU A 2 18.412 19.071 13.949 1.00 0.00 C ATOM 11 O LEU A 2 18.784 18.490 12.932 1.00 0.00 O ATOM 12 CB LEU A 2 18.976 21.271 12.786 1.00 0.00 C ATOM 13 CG LEU A 2 18.653 22.750 12.606 1.00 0.00 C ATOM 14 CD1 LEU A 2 19.367 23.660 13.601 1.00 0.00 C ATOM 15 CD2 LEU A 2 19.107 23.196 11.219 1.00 0.00 C ATOM 0 H LEU A 2 20.288 21.114 14.858 1.00 0.00 H new ATOM 0 HA LEU A 2 17.428 20.897 14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 2 20.060 21.157 12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.578 20.732 11.926 1.00 0.00 H new ATOM 0 HG LEU A 2 17.577 22.840 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 2 19.088 24.696 13.411 1.00 0.00 H new ATOM 0 HD12 LEU A 2 19.078 23.387 14.616 1.00 0.00 H new ATOM 0 HD13 LEU A 2 20.445 23.548 13.488 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.879 24.253 11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 2 20.181 23.041 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.585 22.612 10.460 1.00 0.00 H new ATOM 27 N THR A 3 17.949 18.426 15.023 1.00 0.00 N ATOM 28 CA THR A 3 17.734 17.000 15.172 1.00 0.00 C ATOM 29 C THR A 3 16.381 16.730 15.814 1.00 0.00 C ATOM 30 O THR A 3 15.607 17.654 16.054 1.00 0.00 O ATOM 31 CB THR A 3 18.823 16.323 15.997 1.00 0.00 C ATOM 32 OG1 THR A 3 18.733 16.788 17.325 1.00 0.00 O ATOM 33 CG2 THR A 3 20.242 16.594 15.506 1.00 0.00 C ATOM 0 H THR A 3 17.698 18.934 15.871 1.00 0.00 H new ATOM 0 HA THR A 3 17.765 16.577 14.168 1.00 0.00 H new ATOM 0 HB THR A 3 18.652 15.250 15.908 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.437 17.450 17.488 1.00 0.00 H new ATOM 0 HG21 THR A 3 20.954 16.076 16.148 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.348 16.234 14.482 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.439 17.666 15.536 1.00 0.00 H new ATOM 41 N GLN A 4 16.054 15.463 16.081 1.00 0.00 N ATOM 42 CA GLN A 4 14.927 15.014 16.874 1.00 0.00 C ATOM 43 C GLN A 4 15.312 14.275 18.147 1.00 0.00 C ATOM 44 O GLN A 4 14.470 13.722 18.850 1.00 0.00 O ATOM 45 CB GLN A 4 14.027 14.097 16.050 1.00 0.00 C ATOM 46 CG GLN A 4 13.334 14.814 14.894 1.00 0.00 C ATOM 47 CD GLN A 4 12.393 13.835 14.207 1.00 0.00 C ATOM 48 OE1 GLN A 4 12.770 12.856 13.566 1.00 0.00 O ATOM 49 NE2 GLN A 4 11.074 13.967 14.356 1.00 0.00 N ATOM 0 H GLN A 4 16.607 14.684 15.724 1.00 0.00 H new ATOM 0 HA GLN A 4 14.409 15.927 17.168 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.623 13.274 15.654 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.272 13.659 16.702 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.779 15.676 15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.072 15.189 14.185 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.696 14.758 14.878 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.443 13.277 13.948 1.00 0.00 H new ATOM 58 N ILE A 5 16.586 14.283 18.547 1.00 0.00 N ATOM 59 CA ILE A 5 17.059 13.598 19.733 1.00 0.00 C ATOM 60 C ILE A 5 17.203 14.585 20.883 1.00 0.00 C ATOM 61 O ILE A 5 17.952 15.557 20.825 1.00 0.00 O ATOM 62 CB ILE A 5 18.294 12.770 19.388 1.00 0.00 C ATOM 63 CG1 ILE A 5 18.550 11.768 20.510 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.524 13.588 19.005 1.00 0.00 C ATOM 65 CD1 ILE A 5 19.422 10.613 20.021 1.00 0.00 C ATOM 0 H ILE A 5 17.322 14.776 18.042 1.00 0.00 H new ATOM 0 HA ILE A 5 16.333 12.870 20.096 1.00 0.00 H new ATOM 0 HB ILE A 5 18.081 12.224 18.469 1.00 0.00 H new ATOM 0 HG12 ILE A 5 19.038 12.269 21.346 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.601 11.381 20.881 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.351 12.916 18.777 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.298 14.196 18.129 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.802 14.237 19.835 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.590 9.912 20.839 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.920 10.100 19.201 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.379 11.002 19.674 1.00 0.00 H new ATOM 77 N GLN A 6 16.428 14.376 21.949 1.00 0.00 N ATOM 78 CA GLN A 6 16.333 15.249 23.102 1.00 0.00 C ATOM 79 C GLN A 6 17.664 15.559 23.771 1.00 0.00 C ATOM 80 O GLN A 6 18.331 14.691 24.330 1.00 0.00 O ATOM 81 CB GLN A 6 15.264 14.793 24.091 1.00 0.00 C ATOM 82 CG GLN A 6 15.530 13.603 25.008 1.00 0.00 C ATOM 83 CD GLN A 6 15.841 12.336 24.225 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.943 11.561 23.904 1.00 0.00 O ATOM 85 NE2 GLN A 6 17.104 12.087 23.869 1.00 0.00 N ATOM 0 H GLN A 6 15.827 13.556 22.028 1.00 0.00 H new ATOM 0 HA GLN A 6 16.004 16.207 22.700 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.026 15.646 24.727 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.367 14.565 23.516 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.365 13.835 25.669 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.660 13.433 25.642 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.846 12.733 24.138 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.326 11.251 23.329 1.00 0.00 H new ATOM 94 N ALA A 7 18.065 16.830 23.717 1.00 0.00 N ATOM 95 CA ALA A 7 19.209 17.438 24.370 1.00 0.00 C ATOM 96 C ALA A 7 19.023 18.946 24.275 1.00 0.00 C ATOM 97 O ALA A 7 18.216 19.420 23.479 1.00 0.00 O ATOM 98 CB ALA A 7 20.511 17.046 23.681 1.00 0.00 C ATOM 0 H ALA A 7 17.547 17.514 23.165 1.00 0.00 H new ATOM 0 HA ALA A 7 19.270 17.101 25.405 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.350 17.517 24.193 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.628 15.963 23.713 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.487 17.377 22.643 1.00 0.00 H new ATOM 104 N LEU A 8 19.758 19.745 25.052 1.00 0.00 N ATOM 105 CA LEU A 8 19.727 21.190 24.953 1.00 0.00 C ATOM 106 C LEU A 8 20.514 21.657 23.737 1.00 0.00 C ATOM 107 O LEU A 8 21.716 21.452 23.584 1.00 0.00 O ATOM 108 CB LEU A 8 20.226 21.782 26.267 1.00 0.00 C ATOM 109 CG LEU A 8 19.677 23.134 26.716 1.00 0.00 C ATOM 110 CD1 LEU A 8 19.895 24.282 25.735 1.00 0.00 C ATOM 111 CD2 LEU A 8 18.182 23.074 27.017 1.00 0.00 C ATOM 0 H LEU A 8 20.393 19.396 25.770 1.00 0.00 H new ATOM 0 HA LEU A 8 18.708 21.546 24.799 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.015 21.061 27.056 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.310 21.871 26.199 1.00 0.00 H new ATOM 0 HG LEU A 8 20.257 23.344 27.615 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.470 25.198 26.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.963 24.421 25.569 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.408 24.049 24.788 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.835 24.058 27.333 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.642 22.769 26.120 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.000 22.352 27.813 1.00 0.00 H new ATOM 123 N ASP A 9 19.798 22.294 22.807 1.00 0.00 N ATOM 124 CA ASP A 9 20.351 22.869 21.597 1.00 0.00 C ATOM 125 C ASP A 9 21.271 24.050 21.874 1.00 0.00 C ATOM 126 O ASP A 9 20.976 24.894 22.717 1.00 0.00 O ATOM 127 CB ASP A 9 19.153 23.324 20.769 1.00 0.00 C ATOM 128 CG ASP A 9 19.492 23.441 19.289 1.00 0.00 C ATOM 129 OD1 ASP A 9 20.123 24.432 18.863 1.00 0.00 O ATOM 0 H ASP A 9 18.789 22.423 22.886 1.00 0.00 H new ATOM 0 HA ASP A 9 20.964 22.131 21.080 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.334 22.617 20.898 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.803 24.288 21.138 1.00 0.00 H new ATOM 134 N SER A 10 22.301 24.239 21.045 1.00 0.00 N ATOM 135 CA SER A 10 23.170 25.398 21.070 1.00 0.00 C ATOM 136 C SER A 10 22.454 26.729 20.891 1.00 0.00 C ATOM 137 O SER A 10 22.997 27.759 21.287 1.00 0.00 O ATOM 138 CB SER A 10 24.171 25.303 19.923 1.00 0.00 C ATOM 139 OG SER A 10 25.161 24.335 20.192 1.00 0.00 O ATOM 0 H SER A 10 22.553 23.566 20.321 1.00 0.00 H new ATOM 0 HA SER A 10 23.631 25.384 22.058 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.649 25.047 19.001 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.641 26.274 19.765 1.00 0.00 H new ATOM 0 HG SER A 10 24.747 23.448 20.238 1.00 0.00 H new ATOM 145 N VAL A 11 21.296 26.708 20.227 1.00 0.00 N ATOM 146 CA VAL A 11 20.561 27.895 19.838 1.00 0.00 C ATOM 147 C VAL A 11 19.092 27.858 20.234 1.00 0.00 C ATOM 148 O VAL A 11 18.625 28.720 20.976 1.00 0.00 O ATOM 149 CB VAL A 11 20.727 28.241 18.362 1.00 0.00 C ATOM 150 CG1 VAL A 11 20.312 29.684 18.088 1.00 0.00 C ATOM 151 CG2 VAL A 11 22.168 28.134 17.870 1.00 0.00 C ATOM 0 H VAL A 11 20.840 25.841 19.942 1.00 0.00 H new ATOM 0 HA VAL A 11 21.018 28.701 20.412 1.00 0.00 H new ATOM 0 HB VAL A 11 20.099 27.518 17.842 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.440 29.905 17.028 1.00 0.00 H new ATOM 0 HG12 VAL A 11 19.266 29.820 18.363 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.933 30.359 18.677 1.00 0.00 H new ATOM 0 HG21 VAL A 11 22.212 28.394 16.812 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.798 28.818 18.438 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.525 27.113 18.008 1.00 0.00 H new ATOM 161 N SER A 12 18.350 26.903 19.670 1.00 0.00 N ATOM 162 CA SER A 12 16.903 26.844 19.709 1.00 0.00 C ATOM 163 C SER A 12 16.366 25.456 19.389 1.00 0.00 C ATOM 164 O SER A 12 16.982 24.643 18.702 1.00 0.00 O ATOM 165 CB SER A 12 16.319 27.915 18.793 1.00 0.00 C ATOM 166 OG SER A 12 16.753 27.719 17.466 1.00 0.00 O ATOM 0 H SER A 12 18.764 26.125 19.157 1.00 0.00 H new ATOM 0 HA SER A 12 16.582 27.050 20.730 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.230 27.883 18.834 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.622 28.903 19.139 1.00 0.00 H new ATOM 0 HG SER A 12 16.369 28.413 16.890 1.00 0.00 H new ATOM 172 N GLY A 13 15.147 25.187 19.859 1.00 0.00 N ATOM 173 CA GLY A 13 14.477 23.905 19.771 1.00 0.00 C ATOM 174 C GLY A 13 14.899 22.961 20.888 1.00 0.00 C ATOM 175 O GLY A 13 15.809 23.231 21.670 1.00 0.00 O ATOM 0 H GLY A 13 14.582 25.893 20.331 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.398 24.056 19.813 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.697 23.447 18.807 1.00 0.00 H new ATOM 179 N GLN A 14 14.204 21.827 20.995 1.00 0.00 N ATOM 180 CA GLN A 14 14.271 20.873 22.083 1.00 0.00 C ATOM 181 C GLN A 14 15.234 19.715 21.870 1.00 0.00 C ATOM 182 O GLN A 14 15.126 18.693 22.545 1.00 0.00 O ATOM 183 CB GLN A 14 12.859 20.370 22.368 1.00 0.00 C ATOM 184 CG GLN A 14 11.903 21.492 22.765 1.00 0.00 C ATOM 185 CD GLN A 14 10.507 20.908 22.930 1.00 0.00 C ATOM 186 OE1 GLN A 14 9.907 20.495 21.942 1.00 0.00 O ATOM 187 NE2 GLN A 14 9.957 20.791 24.142 1.00 0.00 N ATOM 0 H GLN A 14 13.541 21.541 20.275 1.00 0.00 H new ATOM 0 HA GLN A 14 14.684 21.401 22.943 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.472 19.865 21.483 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.896 19.630 23.167 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.231 21.956 23.695 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.899 22.272 22.004 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.455 21.134 24.963 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.039 20.359 24.246 1.00 0.00 H new ATOM 196 N PHE A 15 16.155 19.814 20.909 1.00 0.00 N ATOM 197 CA PHE A 15 16.938 18.671 20.483 1.00 0.00 C ATOM 198 C PHE A 15 18.408 19.003 20.263 1.00 0.00 C ATOM 199 O PHE A 15 18.813 20.162 20.269 1.00 0.00 O ATOM 200 CB PHE A 15 16.312 18.129 19.201 1.00 0.00 C ATOM 201 CG PHE A 15 14.812 17.951 19.232 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.249 16.854 19.895 1.00 0.00 C ATOM 203 CD2 PHE A 15 14.015 18.876 18.547 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.878 16.604 19.771 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.632 18.668 18.484 1.00 0.00 C ATOM 206 CZ PHE A 15 12.094 17.500 19.034 1.00 0.00 C ATOM 0 H PHE A 15 16.371 20.680 20.415 1.00 0.00 H new ATOM 0 HA PHE A 15 16.921 17.923 21.276 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.563 18.803 18.382 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.770 17.166 18.973 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.868 16.206 20.497 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.461 19.738 18.074 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.433 15.736 20.235 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.989 19.400 18.017 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.046 17.283 18.886 1.00 0.00 H new ATOM 216 N ARG A 16 19.256 17.984 20.101 1.00 0.00 N ATOM 217 CA ARG A 16 20.696 18.109 20.003 1.00 0.00 C ATOM 218 C ARG A 16 21.130 18.834 18.737 1.00 0.00 C ATOM 219 O ARG A 16 20.417 18.867 17.737 1.00 0.00 O ATOM 220 CB ARG A 16 21.295 16.708 20.084 1.00 0.00 C ATOM 221 CG ARG A 16 22.738 16.731 20.578 1.00 0.00 C ATOM 222 CD ARG A 16 23.255 15.332 20.902 1.00 0.00 C ATOM 223 NE ARG A 16 24.665 15.428 21.280 1.00 0.00 N ATOM 224 CZ ARG A 16 25.543 14.417 21.295 1.00 0.00 C ATOM 225 NH1 ARG A 16 25.178 13.135 21.159 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 26.862 14.638 21.390 1.00 0.00 N ATOM 0 H ARG A 16 18.938 17.017 20.033 1.00 0.00 H new ATOM 0 HA ARG A 16 21.063 18.721 20.827 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.692 16.094 20.754 1.00 0.00 H new ATOM 0 HB3 ARG A 16 21.256 16.240 19.101 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.374 17.185 19.818 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.807 17.358 21.467 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.675 14.894 21.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 23.139 14.677 20.038 1.00 0.00 H new ATOM 0 HE ARG A 16 25.010 16.347 21.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.194 12.895 21.038 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.884 12.399 21.177 1.00 0.00 H new ATOM 0 HH21 ARG A 16 27.216 15.593 21.453 1.00 0.00 H new ATOM 0 HH22 ARG A 16 27.511 13.852 21.400 1.00 0.00 H new ATOM 240 N ASP A 17 22.356 19.362 18.771 1.00 0.00 N ATOM 241 CA ASP A 17 23.080 19.793 17.593 1.00 0.00 C ATOM 242 C ASP A 17 23.373 18.653 16.627 1.00 0.00 C ATOM 243 O ASP A 17 23.744 17.551 17.022 1.00 0.00 O ATOM 244 CB ASP A 17 24.375 20.470 18.030 1.00 0.00 C ATOM 245 CG ASP A 17 23.994 21.813 18.637 1.00 0.00 C ATOM 246 OD1 ASP A 17 23.729 22.766 17.872 1.00 0.00 O ATOM 247 OD2 ASP A 17 23.941 21.931 19.880 1.00 0.00 O1- ATOM 0 H ASP A 17 22.875 19.501 19.638 1.00 0.00 H new ATOM 0 HA ASP A 17 22.448 20.496 17.050 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.905 19.855 18.757 1.00 0.00 H new ATOM 0 HB3 ASP A 17 25.044 20.607 17.180 1.00 0.00 H new ATOM 252 N GLN A 18 23.123 18.898 15.338 1.00 0.00 N ATOM 253 CA GLN A 18 23.172 17.898 14.290 1.00 0.00 C ATOM 254 C GLN A 18 24.520 17.204 14.154 1.00 0.00 C ATOM 255 O GLN A 18 24.548 16.030 13.791 1.00 0.00 O ATOM 256 CB GLN A 18 22.773 18.637 13.016 1.00 0.00 C ATOM 257 CG GLN A 18 22.260 17.698 11.929 1.00 0.00 C ATOM 258 CD GLN A 18 21.731 18.478 10.735 1.00 0.00 C ATOM 259 OE1 GLN A 18 22.460 18.906 9.841 1.00 0.00 O ATOM 260 NE2 GLN A 18 20.430 18.775 10.698 1.00 0.00 N ATOM 0 H GLN A 18 22.875 19.826 14.994 1.00 0.00 H new ATOM 0 HA GLN A 18 22.496 17.075 14.521 1.00 0.00 H new ATOM 0 HB2 GLN A 18 22.001 19.370 13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.632 19.190 12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 18 23.064 17.036 11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.469 17.066 12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.807 18.431 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.059 19.346 9.939 1.00 0.00 H new ATOM 269 N LEU A 19 25.588 17.879 14.586 1.00 0.00 N ATOM 270 CA LEU A 19 26.944 17.385 14.705 1.00 0.00 C ATOM 271 C LEU A 19 27.609 17.873 15.984 1.00 0.00 C ATOM 272 O LEU A 19 27.080 18.708 16.715 1.00 0.00 O ATOM 273 CB LEU A 19 27.702 17.717 13.423 1.00 0.00 C ATOM 274 CG LEU A 19 27.780 19.188 13.025 1.00 0.00 C ATOM 275 CD1 LEU A 19 28.682 20.043 13.910 1.00 0.00 C ATOM 276 CD2 LEU A 19 28.369 19.254 11.619 1.00 0.00 C ATOM 0 H LEU A 19 25.513 18.853 14.880 1.00 0.00 H new ATOM 0 HA LEU A 19 26.947 16.300 14.806 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.719 17.339 13.524 1.00 0.00 H new ATOM 0 HB3 LEU A 19 27.238 17.169 12.603 1.00 0.00 H new ATOM 0 HG LEU A 19 26.768 19.582 13.113 1.00 0.00 H new ATOM 0 HD11 LEU A 19 28.675 21.072 13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.317 20.014 14.937 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.700 19.654 13.876 1.00 0.00 H new ATOM 0 HD21 LEU A 19 28.439 20.295 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 19 29.363 18.807 11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.726 18.707 10.929 1.00 0.00 H new ATOM 288 N GLY A 20 28.817 17.363 16.239 1.00 0.00 N ATOM 289 CA GLY A 20 29.610 17.638 17.420 1.00 0.00 C ATOM 290 C GLY A 20 31.070 17.258 17.209 1.00 0.00 C ATOM 291 O GLY A 20 31.537 16.268 17.811 1.00 0.00 O ATOM 292 OXT GLY A 20 31.722 17.915 16.369 1.00 0.00 O ATOM 0 H GLY A 20 29.280 16.721 15.595 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.540 18.697 17.669 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.207 17.084 18.268 1.00 0.00 H new TER 296 GLY A 20