USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 150 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 Single : A 1 ALA N :NH3+ 143:sc= 0.0278 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 42:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.466 4.679 -3.052 1.00 0.00 N ATOM 2 CA ALA A 1 -10.528 3.719 -3.408 1.00 0.00 C ATOM 3 C ALA A 1 -10.628 2.663 -2.313 1.00 0.00 C ATOM 4 O ALA A 1 -9.600 2.170 -1.866 1.00 0.00 O ATOM 5 CB ALA A 1 -10.250 3.063 -4.765 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.959 4.971 -3.912 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.890 5.514 -2.600 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.799 4.230 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.475 4.252 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.050 2.361 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.202 3.831 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.300 2.530 -4.724 1.00 0.00 H new ATOM 13 N VAL A 2 -11.844 2.332 -1.876 1.00 0.00 N ATOM 14 CA VAL A 2 -12.119 1.529 -0.676 1.00 0.00 C ATOM 15 C VAL A 2 -11.830 0.034 -0.905 1.00 0.00 C ATOM 16 O VAL A 2 -11.671 -0.724 0.045 1.00 0.00 O ATOM 17 CB VAL A 2 -13.596 1.756 -0.259 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.973 1.067 1.064 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.920 3.256 -0.098 1.00 0.00 C ATOM 0 H VAL A 2 -12.693 2.623 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.454 1.850 0.126 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.176 1.315 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.019 1.268 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.822 -0.008 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.345 1.452 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.963 3.374 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.277 3.687 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.749 3.769 -1.044 1.00 0.00 H new ATOM 29 N GLY A 3 -11.798 -0.393 -2.169 1.00 0.00 N ATOM 30 CA GLY A 3 -11.417 -1.726 -2.600 1.00 0.00 C ATOM 31 C GLY A 3 -9.905 -1.843 -2.711 1.00 0.00 C ATOM 32 O GLY A 3 -9.178 -1.853 -1.723 1.00 0.00 O ATOM 0 H GLY A 3 -12.049 0.213 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.793 -2.464 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.876 -1.947 -3.564 1.00 0.00 H new ATOM 36 N ILE A 4 -9.433 -1.863 -3.959 1.00 0.00 N ATOM 37 CA ILE A 4 -8.038 -2.082 -4.326 1.00 0.00 C ATOM 38 C ILE A 4 -7.142 -1.033 -3.664 1.00 0.00 C ATOM 39 O ILE A 4 -6.046 -1.370 -3.219 1.00 0.00 O ATOM 40 CB ILE A 4 -7.891 -2.082 -5.868 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.807 -3.114 -6.572 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.433 -2.298 -6.310 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.615 -4.573 -6.134 1.00 0.00 C ATOM 0 H ILE A 4 -10.036 -1.722 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.716 -3.058 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.213 -1.089 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.845 -2.833 -6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.638 -3.050 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.378 -2.291 -7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.809 -1.499 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.078 -3.258 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.303 -5.212 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.590 -4.882 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.815 -4.662 -5.066 1.00 0.00 H new ATOM 55 N GLY A 5 -7.614 0.216 -3.538 1.00 0.00 N ATOM 56 CA GLY A 5 -6.789 1.269 -2.962 1.00 0.00 C ATOM 57 C GLY A 5 -6.549 1.018 -1.477 1.00 0.00 C ATOM 58 O GLY A 5 -5.458 1.289 -0.978 1.00 0.00 O ATOM 0 H GLY A 5 -8.548 0.511 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.835 1.317 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.276 2.234 -3.098 1.00 0.00 H new ATOM 62 N ALA A 6 -7.547 0.457 -0.788 1.00 0.00 N ATOM 63 CA ALA A 6 -7.444 0.098 0.613 1.00 0.00 C ATOM 64 C ALA A 6 -6.470 -1.061 0.811 1.00 0.00 C ATOM 65 O ALA A 6 -5.772 -1.100 1.818 1.00 0.00 O ATOM 66 CB ALA A 6 -8.829 -0.259 1.140 1.00 0.00 C ATOM 0 H ALA A 6 -8.455 0.241 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.054 0.948 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.759 -0.530 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.493 0.599 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.228 -1.101 0.574 1.00 0.00 H new ATOM 72 N LEU A 7 -6.373 -1.991 -0.146 1.00 0.00 N ATOM 73 CA LEU A 7 -5.322 -3.000 -0.114 1.00 0.00 C ATOM 74 C LEU A 7 -3.977 -2.346 -0.344 1.00 0.00 C ATOM 75 O LEU A 7 -3.013 -2.644 0.347 1.00 0.00 O ATOM 76 CB LEU A 7 -5.512 -4.123 -1.156 1.00 0.00 C ATOM 77 CG LEU A 7 -6.955 -4.582 -1.380 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.006 -5.650 -2.479 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.609 -5.123 -0.102 1.00 0.00 C ATOM 0 H LEU A 7 -7.006 -2.061 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.374 -3.461 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.106 -3.782 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.920 -4.984 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.522 -3.703 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.038 -5.969 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.615 -5.235 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.401 -6.507 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.631 -5.434 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.040 -5.978 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.621 -4.343 0.659 1.00 0.00 H new ATOM 91 N PHE A 8 -3.915 -1.456 -1.324 1.00 0.00 N ATOM 92 CA PHE A 8 -2.642 -0.928 -1.793 1.00 0.00 C ATOM 93 C PHE A 8 -1.959 -0.098 -0.716 1.00 0.00 C ATOM 94 O PHE A 8 -0.793 -0.332 -0.400 1.00 0.00 O ATOM 95 CB PHE A 8 -2.910 -0.002 -2.975 1.00 0.00 C ATOM 96 CG PHE A 8 -2.872 -0.623 -4.365 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.164 -1.988 -4.577 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.516 0.181 -5.466 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.084 -2.540 -5.867 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.450 -0.368 -6.759 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.730 -1.731 -6.960 1.00 0.00 C ATOM 0 H PHE A 8 -4.731 -1.084 -1.810 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.003 -1.768 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.891 0.452 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.178 0.805 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.450 -2.612 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.292 1.227 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.295 -3.588 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.184 0.258 -7.598 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.673 -2.155 -7.952 1.00 0.00 H new ATOM 111 N LEU A 9 -2.702 0.837 -0.120 1.00 0.00 N ATOM 112 CA LEU A 9 -2.142 1.671 0.938 1.00 0.00 C ATOM 113 C LEU A 9 -2.218 0.958 2.281 1.00 0.00 C ATOM 114 O LEU A 9 -1.500 1.327 3.207 1.00 0.00 O ATOM 115 CB LEU A 9 -2.831 3.051 0.972 1.00 0.00 C ATOM 116 CG LEU A 9 -4.285 3.063 1.510 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.364 3.366 3.015 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.120 4.118 0.769 1.00 0.00 C ATOM 0 H LEU A 9 -3.677 1.032 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.088 1.845 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.230 3.722 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.833 3.460 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.677 2.061 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.407 3.361 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.812 2.606 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.930 4.346 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.138 4.115 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.678 5.103 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.137 3.886 -0.296 1.00 0.00 H new ATOM 130 N GLY A 10 -3.106 -0.035 2.386 1.00 0.00 N ATOM 131 CA GLY A 10 -3.408 -0.668 3.665 1.00 0.00 C ATOM 132 C GLY A 10 -2.705 -2.005 3.785 1.00 0.00 C ATOM 133 O GLY A 10 -1.637 -2.097 4.381 1.00 0.00 O ATOM 0 H GLY A 10 -3.627 -0.416 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.098 -0.015 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.485 -0.809 3.761 1.00 0.00 H new ATOM 137 N PHE A 11 -3.320 -3.034 3.204 1.00 0.00 N ATOM 138 CA PHE A 11 -2.867 -4.422 3.257 1.00 0.00 C ATOM 139 C PHE A 11 -1.391 -4.560 2.845 1.00 0.00 C ATOM 140 O PHE A 11 -0.605 -5.183 3.556 1.00 0.00 O ATOM 141 CB PHE A 11 -3.799 -5.266 2.372 1.00 0.00 C ATOM 142 CG PHE A 11 -3.558 -6.761 2.454 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.906 -7.470 3.619 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.989 -7.447 1.363 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.685 -8.857 3.695 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.773 -8.835 1.438 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.121 -9.539 2.603 1.00 0.00 C ATOM 0 H PHE A 11 -4.178 -2.919 2.664 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.917 -4.785 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.832 -5.061 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.682 -4.948 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.344 -6.948 4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.718 -6.907 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.949 -9.398 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.339 -9.360 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.955 -10.605 2.660 1.00 0.00 H new ATOM 157 N LEU A 12 -1.015 -3.949 1.718 1.00 0.00 N ATOM 158 CA LEU A 12 0.358 -3.811 1.250 1.00 0.00 C ATOM 159 C LEU A 12 1.063 -2.682 2.005 1.00 0.00 C ATOM 160 O LEU A 12 2.144 -2.893 2.549 1.00 0.00 O ATOM 161 CB LEU A 12 0.319 -3.536 -0.269 1.00 0.00 C ATOM 162 CG LEU A 12 1.590 -2.906 -0.880 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.802 -3.835 -0.766 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.330 -2.564 -2.353 1.00 0.00 C ATOM 0 H LEU A 12 -1.690 -3.521 1.084 1.00 0.00 H new ATOM 0 HA LEU A 12 0.922 -4.725 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.122 -4.477 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.524 -2.877 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 12 1.820 -2.000 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.673 -3.352 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.999 -4.048 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.597 -4.767 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.226 -2.119 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.076 -3.473 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.504 -1.857 -2.422 1.00 0.00 H new ATOM 176 N GLY A 13 0.475 -1.481 2.044 1.00 0.00 N ATOM 177 CA GLY A 13 1.216 -0.285 2.424 1.00 0.00 C ATOM 178 C GLY A 13 1.620 -0.243 3.898 1.00 0.00 C ATOM 179 O GLY A 13 2.666 0.335 4.211 1.00 0.00 O ATOM 0 H GLY A 13 -0.506 -1.317 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.114 -0.217 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.609 0.592 2.200 1.00 0.00 H new ATOM 183 N ALA A 14 0.848 -0.875 4.793 1.00 0.00 N ATOM 184 CA ALA A 14 1.189 -1.050 6.204 1.00 0.00 C ATOM 185 C ALA A 14 2.208 -2.179 6.418 1.00 0.00 C ATOM 186 O ALA A 14 2.920 -2.169 7.417 1.00 0.00 O ATOM 187 CB ALA A 14 -0.080 -1.326 7.017 1.00 0.00 C ATOM 0 H ALA A 14 -0.052 -1.287 4.546 1.00 0.00 H new ATOM 0 HA ALA A 14 1.652 -0.125 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.182 -1.455 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.767 -0.486 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.558 -2.233 6.648 1.00 0.00 H new ATOM 193 N ALA A 15 2.330 -3.124 5.474 1.00 0.00 N ATOM 194 CA ALA A 15 3.459 -4.052 5.386 1.00 0.00 C ATOM 195 C ALA A 15 4.688 -3.413 4.737 1.00 0.00 C ATOM 196 O ALA A 15 5.595 -4.125 4.299 1.00 0.00 O ATOM 197 CB ALA A 15 3.085 -5.320 4.627 1.00 0.00 C ATOM 0 H ALA A 15 1.635 -3.264 4.741 1.00 0.00 H new ATOM 0 HA ALA A 15 3.713 -4.314 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.948 -5.985 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.266 -5.823 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.774 -5.060 3.615 1.00 0.00 H new ATOM 203 N GLY A 16 4.718 -2.084 4.633 1.00 0.00 N ATOM 204 CA GLY A 16 5.733 -1.316 3.936 1.00 0.00 C ATOM 205 C GLY A 16 7.031 -1.256 4.734 1.00 0.00 C ATOM 206 O GLY A 16 7.637 -0.195 4.848 1.00 0.00 O ATOM 0 H GLY A 16 4.000 -1.493 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.924 -1.763 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.367 -0.305 3.757 1.00 0.00 H new ATOM 210 N SER A 17 7.480 -2.407 5.246 1.00 0.00 N ATOM 211 CA SER A 17 8.778 -2.550 5.899 1.00 0.00 C ATOM 212 C SER A 17 9.912 -2.284 4.900 1.00 0.00 C ATOM 213 O SER A 17 10.970 -1.782 5.275 1.00 0.00 O ATOM 214 CB SER A 17 8.895 -3.961 6.484 1.00 0.00 C ATOM 215 OG SER A 17 7.782 -4.246 7.311 1.00 0.00 O ATOM 0 H SER A 17 6.943 -3.274 5.216 1.00 0.00 H new ATOM 0 HA SER A 17 8.861 -1.820 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.954 -4.692 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.816 -4.047 7.060 1.00 0.00 H new ATOM 0 HG SER A 17 7.869 -5.151 7.676 1.00 0.00 H new ATOM 221 N THR A 18 9.668 -2.542 3.607 1.00 0.00 N ATOM 222 CA THR A 18 10.379 -1.869 2.527 1.00 0.00 C ATOM 223 C THR A 18 9.793 -0.454 2.443 1.00 0.00 C ATOM 224 O THR A 18 8.823 -0.229 1.723 1.00 0.00 O ATOM 225 CB THR A 18 10.237 -2.675 1.224 1.00 0.00 C ATOM 226 OG1 THR A 18 10.704 -3.987 1.460 1.00 0.00 O ATOM 227 CG2 THR A 18 11.053 -2.088 0.068 1.00 0.00 C ATOM 0 H THR A 18 8.975 -3.220 3.289 1.00 0.00 H new ATOM 0 HA THR A 18 11.452 -1.799 2.706 1.00 0.00 H new ATOM 0 HB THR A 18 9.185 -2.651 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.620 -4.517 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.913 -2.699 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.719 -1.070 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.109 -2.076 0.337 1.00 0.00 H new ATOM 235 N VAL A 19 10.354 0.459 3.247 1.00 0.00 N ATOM 236 CA VAL A 19 9.931 1.841 3.520 1.00 0.00 C ATOM 237 C VAL A 19 9.505 2.668 2.288 1.00 0.00 C ATOM 238 O VAL A 19 8.765 3.637 2.442 1.00 0.00 O ATOM 239 CB VAL A 19 10.998 2.547 4.398 1.00 0.00 C ATOM 240 CG1 VAL A 19 10.530 3.911 4.934 1.00 0.00 C ATOM 241 CG2 VAL A 19 11.380 1.692 5.625 1.00 0.00 C ATOM 0 H VAL A 19 11.196 0.227 3.774 1.00 0.00 H new ATOM 0 HA VAL A 19 8.997 1.773 4.078 1.00 0.00 H new ATOM 0 HB VAL A 19 11.852 2.687 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.320 4.354 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.301 4.571 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.637 3.775 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.129 2.218 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.494 1.516 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.786 0.737 5.291 1.00 0.00 H new ATOM 251 N GLY A 20 9.897 2.294 1.063 1.00 0.00 N ATOM 252 CA GLY A 20 9.403 2.888 -0.179 1.00 0.00 C ATOM 253 C GLY A 20 7.966 2.445 -0.479 1.00 0.00 C ATOM 254 O GLY A 20 7.705 1.871 -1.535 1.00 0.00 O ATOM 0 H GLY A 20 10.581 1.554 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.442 3.975 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.054 2.601 -1.005 1.00 0.00 H new ATOM 258 N ALA A 21 7.052 2.687 0.463 1.00 0.00 N ATOM 259 CA ALA A 21 5.651 2.295 0.476 1.00 0.00 C ATOM 260 C ALA A 21 4.891 3.260 1.401 1.00 0.00 C ATOM 261 O ALA A 21 5.483 4.192 1.938 1.00 0.00 O ATOM 262 CB ALA A 21 5.558 0.847 0.975 1.00 0.00 C ATOM 0 H ALA A 21 7.299 3.207 1.305 1.00 0.00 H new ATOM 0 HA ALA A 21 5.209 2.346 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.514 0.534 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.121 0.195 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.973 0.781 1.981 1.00 0.00 H new ATOM 268 N ALA A 22 3.593 3.022 1.638 1.00 0.00 N ATOM 269 CA ALA A 22 2.732 3.926 2.409 1.00 0.00 C ATOM 270 C ALA A 22 3.210 4.114 3.858 1.00 0.00 C ATOM 271 O ALA A 22 2.914 5.136 4.471 1.00 0.00 O ATOM 272 CB ALA A 22 1.281 3.438 2.379 1.00 0.00 C ATOM 0 H ALA A 22 3.109 2.191 1.297 1.00 0.00 H new ATOM 0 HA ALA A 22 2.792 4.904 1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.656 4.120 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.929 3.407 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.224 2.439 2.812 1.00 0.00 H new ATOM 278 N SER A 23 3.899 3.115 4.419 1.00 0.00 N ATOM 279 CA SER A 23 4.563 3.186 5.719 1.00 0.00 C ATOM 280 C SER A 23 5.692 4.235 5.809 1.00 0.00 C ATOM 281 O SER A 23 6.183 4.459 6.916 1.00 0.00 O ATOM 282 CB SER A 23 5.129 1.803 6.062 1.00 0.00 C ATOM 283 OG SER A 23 4.101 0.844 6.228 1.00 0.00 O ATOM 0 H SER A 23 4.012 2.209 3.965 1.00 0.00 H new ATOM 0 HA SER A 23 3.804 3.505 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.804 1.479 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.718 1.867 6.977 1.00 0.00 H new ATOM 0 HG SER A 23 3.423 0.967 5.531 1.00 0.00 H new ATOM 289 N GLY A 24 6.133 4.848 4.699 1.00 0.00 N ATOM 290 CA GLY A 24 7.178 5.867 4.673 1.00 0.00 C ATOM 291 C GLY A 24 6.589 7.234 4.359 1.00 0.00 C ATOM 292 O GLY A 24 5.815 7.315 3.381 1.00 0.00 O ATOM 0 H GLY A 24 5.758 4.638 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.687 5.898 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.927 5.608 3.925 1.00 0.00 H new TER 296 GLY A 24