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+ -171:sc= -0.466 (180deg=-0.571) USER MOD Single : A 3 THR OG1 : rot 77:sc= 1.42 USER MOD Single : A 4 GLN : amide:sc= 0.245 X(o=0.25,f=-0.07) USER MOD Single : A 6 GLN : amide:sc= 0.675 K(o=0.68,f=0) USER MOD Single : A 10 SER OG : rot 81:sc= 1.22 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= -0.0489 X(o=-0.049,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.240 22.130 18.795 1.00 0.00 N ATOM 2 CA GLY A 1 19.846 21.932 17.494 1.00 0.00 C ATOM 3 C GLY A 1 18.883 21.461 16.413 1.00 0.00 C ATOM 4 O GLY A 1 17.681 21.333 16.631 1.00 0.00 O ATOM 0 H3 GLY A 1 19.922 22.592 19.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.302 22.869 17.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.650 21.202 17.589 1.00 0.00 H new ATOM 8 N LEU A 2 19.386 21.197 15.204 1.00 0.00 N ATOM 9 CA LEU A 2 18.616 20.860 14.024 1.00 0.00 C ATOM 10 C LEU A 2 18.004 19.466 14.054 1.00 0.00 C ATOM 11 O LEU A 2 16.890 19.255 13.580 1.00 0.00 O ATOM 12 CB LEU A 2 19.478 21.056 12.781 1.00 0.00 C ATOM 13 CG LEU A 2 18.809 20.790 11.435 1.00 0.00 C ATOM 14 CD1 LEU A 2 19.561 21.630 10.408 1.00 0.00 C ATOM 15 CD2 LEU A 2 18.932 19.350 10.945 1.00 0.00 C ATOM 0 H LEU A 2 20.390 21.216 15.023 1.00 0.00 H new ATOM 0 HA LEU A 2 17.764 21.540 14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.847 22.082 12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 2 20.348 20.404 12.864 1.00 0.00 H new ATOM 0 HG LEU A 2 17.750 21.019 11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 2 19.122 21.478 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 2 19.490 22.684 10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 2 20.609 21.330 10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 2 18.430 19.249 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 2 19.985 19.092 10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.469 18.679 11.668 1.00 0.00 H new ATOM 27 N THR A 3 18.745 18.516 14.630 1.00 0.00 N ATOM 28 CA THR A 3 18.354 17.142 14.866 1.00 0.00 C ATOM 29 C THR A 3 17.129 16.978 15.755 1.00 0.00 C ATOM 30 O THR A 3 16.534 17.967 16.176 1.00 0.00 O ATOM 31 CB THR A 3 19.535 16.342 15.407 1.00 0.00 C ATOM 32 OG1 THR A 3 20.580 17.162 15.882 1.00 0.00 O ATOM 33 CG2 THR A 3 20.214 15.619 14.247 1.00 0.00 C ATOM 0 H THR A 3 19.691 18.707 14.961 1.00 0.00 H new ATOM 0 HA THR A 3 18.054 16.746 13.896 1.00 0.00 H new ATOM 0 HB THR A 3 19.121 15.706 16.190 1.00 0.00 H new ATOM 0 HG1 THR A 3 20.337 17.526 16.759 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.060 15.044 14.622 1.00 0.00 H new ATOM 0 HG22 THR A 3 19.501 14.947 13.770 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.566 16.350 13.519 1.00 0.00 H new ATOM 41 N GLN A 4 16.649 15.753 15.987 1.00 0.00 N ATOM 42 CA GLN A 4 15.277 15.480 16.363 1.00 0.00 C ATOM 43 C GLN A 4 15.165 14.685 17.656 1.00 0.00 C ATOM 44 O GLN A 4 14.083 14.184 17.957 1.00 0.00 O ATOM 45 CB GLN A 4 14.569 14.846 15.169 1.00 0.00 C ATOM 46 CG GLN A 4 14.453 15.781 13.968 1.00 0.00 C ATOM 47 CD GLN A 4 13.592 17.008 14.229 1.00 0.00 C ATOM 48 OE1 GLN A 4 12.365 16.973 14.162 1.00 0.00 O ATOM 49 NE2 GLN A 4 14.166 18.188 14.475 1.00 0.00 N ATOM 0 H GLN A 4 17.223 14.913 15.915 1.00 0.00 H new ATOM 0 HA GLN A 4 14.767 16.413 16.603 1.00 0.00 H new ATOM 0 HB2 GLN A 4 15.109 13.948 14.870 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.571 14.531 15.473 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.451 16.105 13.673 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.036 15.228 13.127 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.182 18.258 14.538 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.589 19.020 14.600 1.00 0.00 H new ATOM 58 N ILE A 5 16.248 14.567 18.429 1.00 0.00 N ATOM 59 CA ILE A 5 16.395 13.791 19.643 1.00 0.00 C ATOM 60 C ILE A 5 16.868 14.649 20.808 1.00 0.00 C ATOM 61 O ILE A 5 17.678 15.546 20.580 1.00 0.00 O ATOM 62 CB ILE A 5 17.354 12.641 19.349 1.00 0.00 C ATOM 63 CG1 ILE A 5 17.306 11.593 20.458 1.00 0.00 C ATOM 64 CG2 ILE A 5 18.792 13.100 19.129 1.00 0.00 C ATOM 65 CD1 ILE A 5 18.087 10.323 20.136 1.00 0.00 C ATOM 0 H ILE A 5 17.111 15.057 18.194 1.00 0.00 H new ATOM 0 HA ILE A 5 15.428 13.392 19.950 1.00 0.00 H new ATOM 0 HB ILE A 5 17.013 12.197 18.414 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.701 12.029 21.375 1.00 0.00 H new ATOM 0 HG13 ILE A 5 16.266 11.330 20.652 1.00 0.00 H new ATOM 0 HG21 ILE A 5 19.423 12.235 18.925 1.00 0.00 H new ATOM 0 HG22 ILE A 5 18.830 13.785 18.282 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.152 13.609 20.023 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.007 9.625 20.970 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.678 9.862 19.237 1.00 0.00 H new ATOM 0 HD13 ILE A 5 19.135 10.572 19.971 1.00 0.00 H new ATOM 77 N GLN A 6 16.331 14.452 22.014 1.00 0.00 N ATOM 78 CA GLN A 6 16.306 15.399 23.109 1.00 0.00 C ATOM 79 C GLN A 6 17.682 15.738 23.666 1.00 0.00 C ATOM 80 O GLN A 6 18.362 14.843 24.164 1.00 0.00 O ATOM 81 CB GLN A 6 15.363 14.940 24.217 1.00 0.00 C ATOM 82 CG GLN A 6 15.667 13.602 24.883 1.00 0.00 C ATOM 83 CD GLN A 6 16.005 13.747 26.361 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.208 13.503 27.263 1.00 0.00 O ATOM 85 NE2 GLN A 6 17.239 14.119 26.710 1.00 0.00 N ATOM 0 H GLN A 6 15.877 13.572 22.257 1.00 0.00 H new ATOM 0 HA GLN A 6 15.922 16.326 22.684 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.353 15.708 24.991 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.356 14.890 23.804 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.806 12.942 24.774 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.501 13.125 24.368 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.931 14.330 25.991 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.490 14.192 27.696 1.00 0.00 H new ATOM 94 N ALA A 7 18.050 17.021 23.660 1.00 0.00 N ATOM 95 CA ALA A 7 19.146 17.572 24.433 1.00 0.00 C ATOM 96 C ALA A 7 19.018 19.079 24.608 1.00 0.00 C ATOM 97 O ALA A 7 18.060 19.671 24.117 1.00 0.00 O ATOM 98 CB ALA A 7 20.472 17.168 23.795 1.00 0.00 C ATOM 0 H ALA A 7 17.572 17.722 23.095 1.00 0.00 H new ATOM 0 HA ALA A 7 19.111 17.156 25.440 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.296 17.582 24.376 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.551 16.081 23.777 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.517 17.552 22.776 1.00 0.00 H new ATOM 104 N LEU A 8 19.971 19.737 25.270 1.00 0.00 N ATOM 105 CA LEU A 8 20.134 21.177 25.252 1.00 0.00 C ATOM 106 C LEU A 8 20.642 21.636 23.892 1.00 0.00 C ATOM 107 O LEU A 8 21.796 21.404 23.540 1.00 0.00 O ATOM 108 CB LEU A 8 21.006 21.635 26.417 1.00 0.00 C ATOM 109 CG LEU A 8 21.236 23.142 26.488 1.00 0.00 C ATOM 110 CD1 LEU A 8 19.954 23.970 26.523 1.00 0.00 C ATOM 111 CD2 LEU A 8 22.012 23.512 27.749 1.00 0.00 C ATOM 0 H LEU A 8 20.666 19.263 25.847 1.00 0.00 H new ATOM 0 HA LEU A 8 19.165 21.656 25.395 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.545 21.307 27.349 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.973 21.137 26.347 1.00 0.00 H new ATOM 0 HG LEU A 8 21.784 23.373 25.575 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.206 25.029 26.573 1.00 0.00 H new ATOM 0 HD12 LEU A 8 19.372 23.778 25.622 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.367 23.695 27.399 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.165 24.591 27.779 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.448 23.201 28.628 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.979 23.009 27.742 1.00 0.00 H new ATOM 123 N ASP A 9 19.814 22.307 23.088 1.00 0.00 N ATOM 124 CA ASP A 9 20.190 22.808 21.781 1.00 0.00 C ATOM 125 C ASP A 9 20.991 24.099 21.872 1.00 0.00 C ATOM 126 O ASP A 9 20.697 24.990 22.665 1.00 0.00 O ATOM 127 CB ASP A 9 18.910 23.071 20.993 1.00 0.00 C ATOM 128 CG ASP A 9 19.188 23.258 19.508 1.00 0.00 C ATOM 129 OD1 ASP A 9 19.665 24.340 19.105 1.00 0.00 O ATOM 0 H ASP A 9 18.848 22.517 23.339 1.00 0.00 H new ATOM 0 HA ASP A 9 20.820 22.065 21.291 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.220 22.238 21.132 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.418 23.961 21.385 1.00 0.00 H new ATOM 134 N SER A 10 21.999 24.269 21.014 1.00 0.00 N ATOM 135 CA SER A 10 22.837 25.446 20.902 1.00 0.00 C ATOM 136 C SER A 10 22.083 26.736 20.610 1.00 0.00 C ATOM 137 O SER A 10 22.592 27.828 20.855 1.00 0.00 O ATOM 138 CB SER A 10 23.860 25.233 19.791 1.00 0.00 C ATOM 139 OG SER A 10 24.687 24.154 20.166 1.00 0.00 O ATOM 0 H SER A 10 22.260 23.544 20.345 1.00 0.00 H new ATOM 0 HA SER A 10 23.304 25.567 21.879 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.359 25.020 18.847 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.454 26.135 19.641 1.00 0.00 H new ATOM 0 HG SER A 10 24.235 23.309 19.962 1.00 0.00 H new ATOM 145 N VAL A 11 20.908 26.650 19.982 1.00 0.00 N ATOM 146 CA VAL A 11 20.159 27.775 19.460 1.00 0.00 C ATOM 147 C VAL A 11 18.688 27.734 19.848 1.00 0.00 C ATOM 148 O VAL A 11 18.218 28.616 20.563 1.00 0.00 O ATOM 149 CB VAL A 11 20.293 27.908 17.946 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.778 29.250 17.434 1.00 0.00 C ATOM 151 CG2 VAL A 11 21.728 27.811 17.435 1.00 0.00 C ATOM 0 H VAL A 11 20.442 25.757 19.822 1.00 0.00 H new ATOM 0 HA VAL A 11 20.604 28.656 19.924 1.00 0.00 H new ATOM 0 HB VAL A 11 19.701 27.071 17.576 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.895 29.296 16.351 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.724 29.357 17.690 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.347 30.058 17.895 1.00 0.00 H new ATOM 0 HG21 VAL A 11 21.736 27.915 16.350 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.327 28.605 17.880 1.00 0.00 H new ATOM 0 HG23 VAL A 11 22.147 26.843 17.709 1.00 0.00 H new ATOM 161 N SER A 12 17.946 26.750 19.332 1.00 0.00 N ATOM 162 CA SER A 12 16.499 26.733 19.415 1.00 0.00 C ATOM 163 C SER A 12 15.917 25.326 19.413 1.00 0.00 C ATOM 164 O SER A 12 16.545 24.397 18.909 1.00 0.00 O ATOM 165 CB SER A 12 15.918 27.561 18.272 1.00 0.00 C ATOM 166 OG SER A 12 16.326 27.093 17.007 1.00 0.00 O ATOM 0 H SER A 12 18.341 25.945 18.846 1.00 0.00 H new ATOM 0 HA SER A 12 16.220 27.172 20.373 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.830 27.541 18.330 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.225 28.601 18.388 1.00 0.00 H new ATOM 0 HG SER A 12 15.928 27.652 16.307 1.00 0.00 H new ATOM 172 N GLY A 13 14.703 25.172 19.946 1.00 0.00 N ATOM 173 CA GLY A 13 14.139 23.868 20.225 1.00 0.00 C ATOM 174 C GLY A 13 14.761 23.175 21.429 1.00 0.00 C ATOM 175 O GLY A 13 15.455 23.799 22.228 1.00 0.00 O ATOM 0 H GLY A 13 14.092 25.951 20.192 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.067 23.974 20.392 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.263 23.233 19.348 1.00 0.00 H new ATOM 179 N GLN A 14 14.567 21.865 21.605 1.00 0.00 N ATOM 180 CA GLN A 14 14.976 21.033 22.718 1.00 0.00 C ATOM 181 C GLN A 14 15.565 19.709 22.250 1.00 0.00 C ATOM 182 O GLN A 14 15.533 18.718 22.978 1.00 0.00 O ATOM 183 CB GLN A 14 13.782 20.884 23.654 1.00 0.00 C ATOM 184 CG GLN A 14 12.520 20.287 23.039 1.00 0.00 C ATOM 185 CD GLN A 14 11.482 20.079 24.132 1.00 0.00 C ATOM 186 OE1 GLN A 14 11.254 18.969 24.605 1.00 0.00 O ATOM 187 NE2 GLN A 14 10.892 21.111 24.739 1.00 0.00 N ATOM 0 H GLN A 14 14.072 21.318 20.900 1.00 0.00 H new ATOM 0 HA GLN A 14 15.789 21.503 23.271 1.00 0.00 H new ATOM 0 HB2 GLN A 14 14.082 20.261 24.496 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.536 21.867 24.056 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.127 20.951 22.269 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.751 19.338 22.554 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.042 22.059 24.394 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.292 20.952 25.548 1.00 0.00 H new ATOM 196 N PHE A 15 16.158 19.675 21.054 1.00 0.00 N ATOM 197 CA PHE A 15 16.861 18.530 20.515 1.00 0.00 C ATOM 198 C PHE A 15 18.344 18.852 20.398 1.00 0.00 C ATOM 199 O PHE A 15 18.781 19.999 20.451 1.00 0.00 O ATOM 200 CB PHE A 15 16.256 18.174 19.159 1.00 0.00 C ATOM 201 CG PHE A 15 14.780 17.858 19.119 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.227 17.130 20.178 1.00 0.00 C ATOM 203 CD2 PHE A 15 13.966 18.318 18.077 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.843 16.919 20.205 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.593 18.045 18.085 1.00 0.00 C ATOM 206 CZ PHE A 15 12.015 17.389 19.179 1.00 0.00 C ATOM 0 H PHE A 15 16.156 20.475 20.421 1.00 0.00 H new ATOM 0 HA PHE A 15 16.758 17.670 21.177 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.441 19.005 18.479 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.796 17.313 18.765 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.857 16.737 20.962 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.398 18.885 17.265 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.406 16.383 21.034 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.979 18.340 17.247 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.946 17.248 19.230 1.00 0.00 H new ATOM 216 N ARG A 16 19.188 17.825 20.274 1.00 0.00 N ATOM 217 CA ARG A 16 20.620 18.025 20.174 1.00 0.00 C ATOM 218 C ARG A 16 21.030 18.629 18.840 1.00 0.00 C ATOM 219 O ARG A 16 20.238 18.686 17.902 1.00 0.00 O ATOM 220 CB ARG A 16 21.315 16.710 20.514 1.00 0.00 C ATOM 221 CG ARG A 16 21.580 15.765 19.345 1.00 0.00 C ATOM 222 CD ARG A 16 22.321 14.510 19.795 1.00 0.00 C ATOM 223 NE ARG A 16 23.611 14.801 20.420 1.00 0.00 N ATOM 224 CZ ARG A 16 24.530 13.924 20.845 1.00 0.00 C ATOM 225 NH1 ARG A 16 24.386 12.598 20.717 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 25.670 14.340 21.415 1.00 0.00 N ATOM 0 H ARG A 16 18.896 16.848 20.241 1.00 0.00 H new ATOM 0 HA ARG A 16 20.945 18.771 20.899 1.00 0.00 H new ATOM 0 HB2 ARG A 16 22.268 16.940 20.991 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.708 16.182 21.250 1.00 0.00 H new ATOM 0 HG2 ARG A 16 20.634 15.484 18.882 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.166 16.281 18.585 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.698 13.960 20.500 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.479 13.860 18.935 1.00 0.00 H new ATOM 0 HE ARG A 16 23.837 15.787 20.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.547 12.216 20.280 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.115 11.971 21.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 25.848 15.338 21.531 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.359 13.659 21.733 1.00 0.00 H new ATOM 240 N ASP A 17 22.313 18.982 18.734 1.00 0.00 N ATOM 241 CA ASP A 17 22.971 19.429 17.523 1.00 0.00 C ATOM 242 C ASP A 17 23.485 18.311 16.628 1.00 0.00 C ATOM 243 O ASP A 17 23.982 17.304 17.126 1.00 0.00 O ATOM 244 CB ASP A 17 24.088 20.402 17.893 1.00 0.00 C ATOM 245 CG ASP A 17 23.550 21.810 18.101 1.00 0.00 C ATOM 246 OD1 ASP A 17 23.471 22.493 17.058 1.00 0.00 O ATOM 247 OD2 ASP A 17 23.199 22.194 19.239 1.00 0.00 O1- ATOM 0 H ASP A 17 22.945 18.960 19.535 1.00 0.00 H new ATOM 0 HA ASP A 17 22.213 19.929 16.920 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.583 20.062 18.803 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.841 20.411 17.105 1.00 0.00 H new ATOM 252 N GLN A 18 23.286 18.507 15.323 1.00 0.00 N ATOM 253 CA GLN A 18 23.379 17.528 14.258 1.00 0.00 C ATOM 254 C GLN A 18 24.759 16.890 14.173 1.00 0.00 C ATOM 255 O GLN A 18 24.871 15.722 13.812 1.00 0.00 O ATOM 256 CB GLN A 18 23.003 18.203 12.941 1.00 0.00 C ATOM 257 CG GLN A 18 23.130 17.264 11.746 1.00 0.00 C ATOM 258 CD GLN A 18 22.416 17.747 10.491 1.00 0.00 C ATOM 259 OE1 GLN A 18 21.528 17.092 9.950 1.00 0.00 O ATOM 260 NE2 GLN A 18 22.790 18.918 9.972 1.00 0.00 N ATOM 0 H GLN A 18 23.037 19.429 14.964 1.00 0.00 H new ATOM 0 HA GLN A 18 22.685 16.715 14.472 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.978 18.569 13.004 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.643 19.072 12.786 1.00 0.00 H new ATOM 0 HG2 GLN A 18 24.187 17.126 11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 18 22.733 16.287 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 18 23.527 19.462 10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 18 22.339 19.269 9.127 1.00 0.00 H new ATOM 269 N LEU A 19 25.804 17.634 14.543 1.00 0.00 N ATOM 270 CA LEU A 19 27.178 17.176 14.541 1.00 0.00 C ATOM 271 C LEU A 19 27.450 16.091 15.575 1.00 0.00 C ATOM 272 O LEU A 19 28.449 15.380 15.484 1.00 0.00 O ATOM 273 CB LEU A 19 28.071 18.387 14.794 1.00 0.00 C ATOM 274 CG LEU A 19 28.281 19.213 13.528 1.00 0.00 C ATOM 275 CD1 LEU A 19 28.709 20.623 13.923 1.00 0.00 C ATOM 276 CD2 LEU A 19 29.332 18.588 12.616 1.00 0.00 C ATOM 0 H LEU A 19 25.705 18.598 14.860 1.00 0.00 H new ATOM 0 HA LEU A 19 27.389 16.721 13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 19 27.624 19.013 15.566 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.036 18.053 15.174 1.00 0.00 H new ATOM 0 HG LEU A 19 27.342 19.243 12.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 28.862 21.222 13.025 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.933 21.080 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.639 20.576 14.490 1.00 0.00 H new ATOM 0 HD21 LEU A 19 29.454 19.204 11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.282 18.525 13.146 1.00 0.00 H new ATOM 0 HD23 LEU A 19 29.012 17.588 12.324 1.00 0.00 H new ATOM 288 N GLY A 20 26.573 15.877 16.558 1.00 0.00 N ATOM 289 CA GLY A 20 26.690 14.845 17.569 1.00 0.00 C ATOM 290 C GLY A 20 27.539 15.314 18.740 1.00 0.00 C ATOM 291 O GLY A 20 28.532 14.630 19.071 1.00 0.00 O ATOM 292 OXT GLY A 20 27.233 16.374 19.327 1.00 0.00 O ATOM 0 H GLY A 20 25.732 16.444 16.669 1.00 0.00 H new ATOM 0 HA2 GLY A 20 25.698 14.567 17.925 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.134 13.951 17.130 1.00 0.00 H new TER 296 GLY A 20