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= -0.124 (180deg=-0.124) USER MOD Single : A 3 THR OG1 : rot -54:sc= 1.15 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 47:sc= 0.732 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.000309 X(o=-0.00031,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.204 22.379 18.494 1.00 0.00 N ATOM 2 CA GLY A 1 19.760 22.044 17.199 1.00 0.00 C ATOM 3 C GLY A 1 18.862 21.257 16.253 1.00 0.00 C ATOM 4 O GLY A 1 17.664 21.124 16.487 1.00 0.00 O ATOM 0 H3 GLY A 1 19.906 22.912 19.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.049 22.970 16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.673 21.470 17.359 1.00 0.00 H new ATOM 8 N LEU A 2 19.421 20.844 15.113 1.00 0.00 N ATOM 9 CA LEU A 2 18.794 20.290 13.931 1.00 0.00 C ATOM 10 C LEU A 2 18.244 18.879 14.091 1.00 0.00 C ATOM 11 O LEU A 2 17.377 18.482 13.317 1.00 0.00 O ATOM 12 CB LEU A 2 19.810 20.343 12.794 1.00 0.00 C ATOM 13 CG LEU A 2 19.340 20.852 11.435 1.00 0.00 C ATOM 14 CD1 LEU A 2 18.120 20.115 10.889 1.00 0.00 C ATOM 15 CD2 LEU A 2 19.005 22.340 11.487 1.00 0.00 C ATOM 0 H LEU A 2 20.432 20.900 14.992 1.00 0.00 H new ATOM 0 HA LEU A 2 17.914 20.898 13.721 1.00 0.00 H new ATOM 0 HB2 LEU A 2 20.640 20.972 13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 2 20.207 19.338 12.655 1.00 0.00 H new ATOM 0 HG LEU A 2 20.179 20.665 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 2 17.846 20.533 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 2 18.355 19.057 10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 2 17.286 20.228 11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.673 22.673 10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 2 18.211 22.509 12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 2 19.891 22.902 11.780 1.00 0.00 H new ATOM 27 N THR A 3 18.713 18.064 15.039 1.00 0.00 N ATOM 28 CA THR A 3 18.280 16.691 15.203 1.00 0.00 C ATOM 29 C THR A 3 16.871 16.603 15.772 1.00 0.00 C ATOM 30 O THR A 3 16.158 17.589 15.945 1.00 0.00 O ATOM 31 CB THR A 3 19.250 15.928 16.101 1.00 0.00 C ATOM 32 OG1 THR A 3 19.100 16.347 17.439 1.00 0.00 O ATOM 33 CG2 THR A 3 20.735 15.995 15.759 1.00 0.00 C ATOM 0 H THR A 3 19.415 18.353 15.720 1.00 0.00 H new ATOM 0 HA THR A 3 18.270 16.236 14.212 1.00 0.00 H new ATOM 0 HB THR A 3 18.964 14.890 15.933 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.202 17.320 17.490 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.302 15.407 16.481 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.896 15.594 14.758 1.00 0.00 H new ATOM 0 HG23 THR A 3 21.070 17.032 15.793 1.00 0.00 H new ATOM 41 N GLN A 4 16.395 15.391 16.065 1.00 0.00 N ATOM 42 CA GLN A 4 15.099 15.052 16.615 1.00 0.00 C ATOM 43 C GLN A 4 15.207 14.294 17.930 1.00 0.00 C ATOM 44 O GLN A 4 14.223 13.736 18.411 1.00 0.00 O ATOM 45 CB GLN A 4 14.337 14.298 15.530 1.00 0.00 C ATOM 46 CG GLN A 4 13.988 15.268 14.404 1.00 0.00 C ATOM 47 CD GLN A 4 13.307 14.632 13.200 1.00 0.00 C ATOM 48 OE1 GLN A 4 13.908 14.461 12.142 1.00 0.00 O ATOM 49 NE2 GLN A 4 12.032 14.255 13.319 1.00 0.00 N ATOM 0 H GLN A 4 16.961 14.558 15.907 1.00 0.00 H new ATOM 0 HA GLN A 4 14.546 15.952 16.884 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.942 13.477 15.146 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.429 13.858 15.943 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.337 16.046 14.803 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.902 15.758 14.069 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.538 14.399 14.199 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.552 13.823 12.529 1.00 0.00 H new ATOM 58 N ILE A 5 16.384 14.280 18.561 1.00 0.00 N ATOM 59 CA ILE A 5 16.693 13.597 19.800 1.00 0.00 C ATOM 60 C ILE A 5 16.825 14.601 20.937 1.00 0.00 C ATOM 61 O ILE A 5 17.514 15.610 20.803 1.00 0.00 O ATOM 62 CB ILE A 5 17.911 12.696 19.615 1.00 0.00 C ATOM 63 CG1 ILE A 5 17.980 11.600 20.674 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.235 13.450 19.529 1.00 0.00 C ATOM 65 CD1 ILE A 5 18.962 10.504 20.272 1.00 0.00 C ATOM 0 H ILE A 5 17.191 14.780 18.189 1.00 0.00 H new ATOM 0 HA ILE A 5 15.873 12.936 20.081 1.00 0.00 H new ATOM 0 HB ILE A 5 17.764 12.227 18.642 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.283 12.031 21.628 1.00 0.00 H new ATOM 0 HG13 ILE A 5 16.990 11.169 20.820 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.051 12.739 19.398 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.210 14.134 18.681 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.391 14.016 20.447 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.989 9.738 21.047 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.643 10.057 19.330 1.00 0.00 H new ATOM 0 HD13 ILE A 5 19.957 10.933 20.151 1.00 0.00 H new ATOM 77 N GLN A 6 16.066 14.414 22.020 1.00 0.00 N ATOM 78 CA GLN A 6 15.970 15.354 23.118 1.00 0.00 C ATOM 79 C GLN A 6 17.307 15.663 23.778 1.00 0.00 C ATOM 80 O GLN A 6 17.895 14.796 24.421 1.00 0.00 O ATOM 81 CB GLN A 6 14.940 14.886 24.143 1.00 0.00 C ATOM 82 CG GLN A 6 13.509 14.999 23.624 1.00 0.00 C ATOM 83 CD GLN A 6 12.461 14.719 24.692 1.00 0.00 C ATOM 84 OE1 GLN A 6 12.333 15.422 25.692 1.00 0.00 O ATOM 85 NE2 GLN A 6 11.665 13.657 24.544 1.00 0.00 N ATOM 0 H GLN A 6 15.491 13.582 22.152 1.00 0.00 H new ATOM 0 HA GLN A 6 15.633 16.295 22.684 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.145 13.850 24.413 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.042 15.478 25.052 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.352 16.001 23.224 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.373 14.301 22.798 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.756 13.062 23.721 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.966 13.441 25.254 1.00 0.00 H new ATOM 94 N ALA A 7 17.792 16.894 23.604 1.00 0.00 N ATOM 95 CA ALA A 7 18.978 17.445 24.229 1.00 0.00 C ATOM 96 C ALA A 7 18.940 18.964 24.312 1.00 0.00 C ATOM 97 O ALA A 7 17.895 19.560 24.057 1.00 0.00 O ATOM 98 CB ALA A 7 20.203 16.929 23.479 1.00 0.00 C ATOM 0 H ALA A 7 17.335 17.565 22.986 1.00 0.00 H new ATOM 0 HA ALA A 7 19.026 17.111 25.265 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.106 17.334 23.936 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.228 15.840 23.528 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.151 17.244 22.437 1.00 0.00 H new ATOM 104 N LEU A 8 20.031 19.623 24.709 1.00 0.00 N ATOM 105 CA LEU A 8 20.191 21.063 24.749 1.00 0.00 C ATOM 106 C LEU A 8 20.800 21.632 23.477 1.00 0.00 C ATOM 107 O LEU A 8 21.969 21.434 23.152 1.00 0.00 O ATOM 108 CB LEU A 8 21.034 21.399 25.976 1.00 0.00 C ATOM 109 CG LEU A 8 20.913 22.797 26.575 1.00 0.00 C ATOM 110 CD1 LEU A 8 21.055 23.936 25.568 1.00 0.00 C ATOM 111 CD2 LEU A 8 19.611 22.984 27.350 1.00 0.00 C ATOM 0 H LEU A 8 20.867 19.132 25.027 1.00 0.00 H new ATOM 0 HA LEU A 8 19.208 21.529 24.819 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.786 20.680 26.757 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.080 21.238 25.715 1.00 0.00 H new ATOM 0 HG LEU A 8 21.763 22.857 27.255 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.955 24.891 26.083 1.00 0.00 H new ATOM 0 HD12 LEU A 8 22.034 23.881 25.092 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.277 23.850 24.809 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.572 23.994 27.757 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.764 22.829 26.681 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.566 22.262 28.166 1.00 0.00 H new ATOM 123 N ASP A 9 19.958 22.319 22.702 1.00 0.00 N ATOM 124 CA ASP A 9 20.308 22.986 21.463 1.00 0.00 C ATOM 125 C ASP A 9 21.212 24.189 21.690 1.00 0.00 C ATOM 126 O ASP A 9 20.953 25.009 22.569 1.00 0.00 O ATOM 127 CB ASP A 9 19.025 23.326 20.712 1.00 0.00 C ATOM 128 CG ASP A 9 19.336 23.484 19.230 1.00 0.00 C ATOM 129 OD1 ASP A 9 20.004 24.484 18.888 1.00 0.00 O ATOM 0 H ASP A 9 18.972 22.425 22.939 1.00 0.00 H new ATOM 0 HA ASP A 9 20.901 22.314 20.843 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.285 22.539 20.858 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.593 24.246 21.105 1.00 0.00 H new ATOM 134 N SER A 10 22.223 24.381 20.839 1.00 0.00 N ATOM 135 CA SER A 10 23.066 25.557 20.761 1.00 0.00 C ATOM 136 C SER A 10 22.329 26.883 20.649 1.00 0.00 C ATOM 137 O SER A 10 22.780 27.875 21.218 1.00 0.00 O ATOM 138 CB SER A 10 24.037 25.448 19.590 1.00 0.00 C ATOM 139 OG SER A 10 24.819 24.283 19.732 1.00 0.00 O ATOM 0 H SER A 10 22.483 23.675 20.151 1.00 0.00 H new ATOM 0 HA SER A 10 23.588 25.571 21.718 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.487 25.417 18.650 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.680 26.328 19.554 1.00 0.00 H new ATOM 0 HG SER A 10 24.238 23.524 19.947 1.00 0.00 H new ATOM 145 N VAL A 11 21.152 26.890 20.021 1.00 0.00 N ATOM 146 CA VAL A 11 20.291 28.054 19.958 1.00 0.00 C ATOM 147 C VAL A 11 18.929 27.714 20.546 1.00 0.00 C ATOM 148 O VAL A 11 18.580 28.082 21.665 1.00 0.00 O ATOM 149 CB VAL A 11 20.264 28.657 18.557 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.415 29.925 18.547 1.00 0.00 C ATOM 151 CG2 VAL A 11 21.670 29.015 18.084 1.00 0.00 C ATOM 0 H VAL A 11 20.773 26.075 19.539 1.00 0.00 H new ATOM 0 HA VAL A 11 20.695 28.855 20.578 1.00 0.00 H new ATOM 0 HB VAL A 11 19.838 27.911 17.887 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.403 30.347 17.542 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.397 29.683 18.851 1.00 0.00 H new ATOM 0 HG13 VAL A 11 19.838 30.652 19.240 1.00 0.00 H new ATOM 0 HG21 VAL A 11 21.619 29.443 17.083 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.110 29.742 18.767 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.287 28.117 18.064 1.00 0.00 H new ATOM 161 N SER A 12 18.071 27.060 19.759 1.00 0.00 N ATOM 162 CA SER A 12 16.636 27.039 19.954 1.00 0.00 C ATOM 163 C SER A 12 16.022 25.651 19.841 1.00 0.00 C ATOM 164 O SER A 12 16.555 24.759 19.184 1.00 0.00 O ATOM 165 CB SER A 12 16.003 27.933 18.892 1.00 0.00 C ATOM 166 OG SER A 12 16.426 27.612 17.586 1.00 0.00 O ATOM 0 H SER A 12 18.373 26.519 18.949 1.00 0.00 H new ATOM 0 HA SER A 12 16.443 27.388 20.968 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.918 27.846 18.950 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.251 28.973 19.104 1.00 0.00 H new ATOM 0 HG SER A 12 15.991 28.212 16.945 1.00 0.00 H new ATOM 172 N GLY A 13 14.862 25.442 20.470 1.00 0.00 N ATOM 173 CA GLY A 13 14.197 24.155 20.480 1.00 0.00 C ATOM 174 C GLY A 13 14.657 23.293 21.648 1.00 0.00 C ATOM 175 O GLY A 13 15.191 23.789 22.637 1.00 0.00 O ATOM 0 H GLY A 13 14.364 26.168 20.985 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.119 24.303 20.539 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.396 23.635 19.543 1.00 0.00 H new ATOM 179 N GLN A 14 14.410 21.984 21.569 1.00 0.00 N ATOM 180 CA GLN A 14 14.760 20.997 22.572 1.00 0.00 C ATOM 181 C GLN A 14 15.370 19.727 21.999 1.00 0.00 C ATOM 182 O GLN A 14 15.293 18.675 22.631 1.00 0.00 O ATOM 183 CB GLN A 14 13.564 20.733 23.483 1.00 0.00 C ATOM 184 CG GLN A 14 12.315 20.193 22.792 1.00 0.00 C ATOM 185 CD GLN A 14 11.258 19.640 23.737 1.00 0.00 C ATOM 186 OE1 GLN A 14 10.104 20.060 23.777 1.00 0.00 O ATOM 187 NE2 GLN A 14 11.567 18.608 24.526 1.00 0.00 N ATOM 0 H GLN A 14 13.938 21.572 20.764 1.00 0.00 H new ATOM 0 HA GLN A 14 15.562 21.418 23.178 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.867 20.024 24.253 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.304 21.662 23.990 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.870 20.991 22.198 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.611 19.406 22.098 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.514 18.229 24.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.856 18.198 25.132 1.00 0.00 H new ATOM 196 N PHE A 15 15.997 19.777 20.821 1.00 0.00 N ATOM 197 CA PHE A 15 16.768 18.667 20.298 1.00 0.00 C ATOM 198 C PHE A 15 18.245 19.010 20.173 1.00 0.00 C ATOM 199 O PHE A 15 18.684 20.158 20.188 1.00 0.00 O ATOM 200 CB PHE A 15 16.184 18.261 18.948 1.00 0.00 C ATOM 201 CG PHE A 15 14.728 17.864 18.960 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.199 16.996 19.924 1.00 0.00 C ATOM 203 CD2 PHE A 15 13.912 18.398 17.955 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.835 16.687 19.880 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.561 18.041 17.889 1.00 0.00 C ATOM 206 CZ PHE A 15 12.020 17.188 18.858 1.00 0.00 C ATOM 0 H PHE A 15 15.979 20.593 20.209 1.00 0.00 H new ATOM 0 HA PHE A 15 16.703 17.832 20.996 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.310 19.091 18.253 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.766 17.427 18.556 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.833 16.572 20.688 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.325 19.085 17.231 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.406 16.055 20.643 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.938 18.422 17.093 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.975 16.917 18.817 1.00 0.00 H new ATOM 216 N ARG A 16 19.061 17.967 20.005 1.00 0.00 N ATOM 217 CA ARG A 16 20.505 18.030 19.892 1.00 0.00 C ATOM 218 C ARG A 16 20.976 18.704 18.611 1.00 0.00 C ATOM 219 O ARG A 16 20.284 18.750 17.596 1.00 0.00 O ATOM 220 CB ARG A 16 21.023 16.599 19.996 1.00 0.00 C ATOM 221 CG ARG A 16 22.411 16.570 20.631 1.00 0.00 C ATOM 222 CD ARG A 16 22.816 15.170 21.085 1.00 0.00 C ATOM 223 NE ARG A 16 24.213 15.160 21.518 1.00 0.00 N ATOM 224 CZ ARG A 16 24.857 14.338 22.358 1.00 0.00 C ATOM 225 NH1 ARG A 16 24.233 13.296 22.924 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 26.149 14.602 22.595 1.00 0.00 N ATOM 0 H ARG A 16 18.707 17.012 19.942 1.00 0.00 H new ATOM 0 HA ARG A 16 20.905 18.651 20.694 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.333 16.000 20.591 1.00 0.00 H new ATOM 0 HB3 ARG A 16 21.062 16.149 19.004 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.143 16.942 19.914 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.430 17.246 21.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.173 14.845 21.903 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.676 14.461 20.269 1.00 0.00 H new ATOM 0 HE ARG A 16 24.791 15.898 21.116 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.250 13.117 22.718 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.741 12.682 23.561 1.00 0.00 H new ATOM 0 HH21 ARG A 16 26.598 15.399 22.144 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.684 14.006 23.227 1.00 0.00 H new ATOM 240 N ASP A 17 22.222 19.181 18.649 1.00 0.00 N ATOM 241 CA ASP A 17 22.913 19.631 17.457 1.00 0.00 C ATOM 242 C ASP A 17 23.376 18.510 16.536 1.00 0.00 C ATOM 243 O ASP A 17 23.785 17.446 16.995 1.00 0.00 O ATOM 244 CB ASP A 17 24.071 20.547 17.841 1.00 0.00 C ATOM 245 CG ASP A 17 23.535 21.923 18.209 1.00 0.00 C ATOM 246 OD1 ASP A 17 23.355 22.765 17.302 1.00 0.00 O ATOM 247 OD2 ASP A 17 23.264 22.189 19.400 1.00 0.00 O1- ATOM 0 H ASP A 17 22.770 19.263 19.505 1.00 0.00 H new ATOM 0 HA ASP A 17 22.181 20.188 16.871 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.620 20.123 18.682 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.773 20.629 17.011 1.00 0.00 H new ATOM 252 N GLN A 18 23.299 18.748 15.224 1.00 0.00 N ATOM 253 CA GLN A 18 23.463 17.731 14.205 1.00 0.00 C ATOM 254 C GLN A 18 24.821 17.044 14.177 1.00 0.00 C ATOM 255 O GLN A 18 24.911 15.885 13.780 1.00 0.00 O ATOM 256 CB GLN A 18 23.193 18.367 12.845 1.00 0.00 C ATOM 257 CG GLN A 18 22.520 17.338 11.940 1.00 0.00 C ATOM 258 CD GLN A 18 21.852 17.962 10.722 1.00 0.00 C ATOM 259 OE1 GLN A 18 22.467 18.765 10.022 1.00 0.00 O ATOM 260 NE2 GLN A 18 20.586 17.661 10.430 1.00 0.00 N ATOM 0 H GLN A 18 23.117 19.676 14.842 1.00 0.00 H new ATOM 0 HA GLN A 18 22.752 16.942 14.449 1.00 0.00 H new ATOM 0 HB2 GLN A 18 22.554 19.243 12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 18 24.126 18.709 12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 18 23.263 16.613 11.608 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.774 16.789 12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 18 20.074 16.995 11.009 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.130 18.096 9.628 1.00 0.00 H new ATOM 269 N LEU A 19 25.832 17.751 14.689 1.00 0.00 N ATOM 270 CA LEU A 19 27.211 17.324 14.813 1.00 0.00 C ATOM 271 C LEU A 19 27.712 17.455 16.244 1.00 0.00 C ATOM 272 O LEU A 19 28.903 17.641 16.487 1.00 0.00 O ATOM 273 CB LEU A 19 28.053 18.100 13.804 1.00 0.00 C ATOM 274 CG LEU A 19 27.670 17.879 12.345 1.00 0.00 C ATOM 275 CD1 LEU A 19 28.491 18.831 11.481 1.00 0.00 C ATOM 276 CD2 LEU A 19 27.893 16.431 11.919 1.00 0.00 C ATOM 0 H LEU A 19 25.691 18.695 15.048 1.00 0.00 H new ATOM 0 HA LEU A 19 27.296 16.262 14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 27.974 19.164 14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.099 17.823 13.936 1.00 0.00 H new ATOM 0 HG LEU A 19 26.607 18.084 12.218 1.00 0.00 H new ATOM 0 HD11 LEU A 19 28.230 18.687 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.278 19.860 11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.552 18.627 11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 19 27.609 16.312 10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 19 28.945 16.174 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.284 15.772 12.538 1.00 0.00 H new ATOM 288 N GLY A 20 26.811 17.424 17.227 1.00 0.00 N ATOM 289 CA GLY A 20 27.153 17.580 18.627 1.00 0.00 C ATOM 290 C GLY A 20 26.383 16.613 19.515 1.00 0.00 C ATOM 291 O GLY A 20 26.130 15.470 19.078 1.00 0.00 O ATOM 292 OXT GLY A 20 26.051 17.053 20.637 1.00 0.00 O ATOM 0 H GLY A 20 25.813 17.288 17.063 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.223 17.419 18.759 1.00 0.00 H new ATOM 0 HA3 GLY A 20 26.944 18.603 18.939 1.00 0.00 H new TER 296 GLY A 20