USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 138 hydrogens (4 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 2 SEP H2 : A 2 SEP N : A 1 ARG C :(H bumps) USER MOD Single : A 1 ARG N :NH3+ -166:sc= -0.303 (180deg=-0.852) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 12 MET CE :methyl 163:sc= -0.0383 (180deg=-0.364) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.503 -1.460 0.030 1.00 54.41 N ATOM 2 CA ARG A 1 1.704 -0.325 -0.863 1.00 74.14 C ATOM 3 C ARG A 1 3.175 0.077 -0.909 1.00 12.24 C ATOM 4 O ARG A 1 3.527 0.987 -1.657 1.00 45.14 O ATOM 5 CB ARG A 1 0.852 0.863 -0.413 1.00 4.45 C ATOM 6 CG ARG A 1 -0.435 0.460 0.287 1.00 72.31 C ATOM 7 CD ARG A 1 -1.371 1.646 0.459 1.00 30.13 C ATOM 8 NE ARG A 1 -1.676 1.903 1.864 1.00 4.32 N ATOM 9 CZ ARG A 1 -2.289 3.000 2.294 1.00 10.23 C ATOM 10 NH1 ARG A 1 -2.662 3.936 1.433 1.00 43.45 N ATOM 11 NH2 ARG A 1 -2.531 3.162 3.589 1.00 53.12 N ATOM 0 H1 ARG A 1 0.559 -1.865 -0.130 1.00 54.41 H new ATOM 0 H2 ARG A 1 2.226 -2.183 -0.159 1.00 54.41 H new ATOM 0 H3 ARG A 1 1.581 -1.143 1.017 1.00 54.41 H new ATOM 0 HA ARG A 1 1.396 -0.624 -1.865 1.00 74.14 H new ATOM 0 HB2 ARG A 1 1.441 1.487 0.259 1.00 4.45 H new ATOM 0 HB3 ARG A 1 0.607 1.473 -1.282 1.00 4.45 H new ATOM 0 HG2 ARG A 1 -0.935 -0.319 -0.289 1.00 72.31 H new ATOM 0 HG3 ARG A 1 -0.202 0.035 1.263 1.00 72.31 H new ATOM 0 HD2 ARG A 1 -0.916 2.533 0.018 1.00 30.13 H new ATOM 0 HD3 ARG A 1 -2.297 1.459 -0.085 1.00 30.13 H new ATOM 0 HE ARG A 1 -1.403 1.202 2.553 1.00 4.32 H new ATOM 0 HH11 ARG A 1 -2.479 3.815 0.437 1.00 43.45 H new ATOM 0 HH12 ARG A 1 -3.133 4.777 1.766 1.00 43.45 H new ATOM 0 HH21 ARG A 1 -2.246 2.444 4.255 1.00 53.12 H new ATOM 0 HH22 ARG A 1 -3.002 4.005 3.918 1.00 53.12 H new HETATM 25 N SEP A 2 3.991 -0.601 -0.115 1.00 41.23 N HETATM 26 CA SEP A 2 5.452 -0.296 -0.074 1.00 0.34 C HETATM 27 CB SEP A 2 5.994 -0.459 1.377 1.00 34.52 C HETATM 28 OG SEP A 2 5.622 -1.745 1.928 1.00 71.10 O HETATM 29 C SEP A 2 6.167 -1.111 -1.119 1.00 62.42 C HETATM 30 O SEP A 2 7.377 -1.009 -1.326 1.00 33.21 O HETATM 31 P SEP A 2 6.641 -3.003 1.954 1.00 12.51 P HETATM 32 O1P SEP A 2 7.757 -2.756 0.945 1.00 74.44 O HETATM 33 O2P SEP A 2 7.255 -3.066 3.357 1.00 75.12 O HETATM 34 O3P SEP A 2 5.896 -4.295 1.646 1.00 75.13 O HETATM 0 HB3 SEP A 2 7.079 -0.360 1.377 1.00 34.52 H new HETATM 0 HB2 SEP A 2 5.601 0.338 2.008 1.00 34.52 H new HETATM 0 HA SEP A 2 5.643 0.746 -0.332 1.00 0.34 H new HETATM 0 H SEP A 2 3.502 -0.870 0.739 1.00 41.23 H new ATOM 39 N LYS A 3 5.387 -1.947 -1.797 1.00 12.35 N ATOM 40 CA LYS A 3 5.917 -2.809 -2.846 1.00 21.44 C ATOM 41 C LYS A 3 6.272 -1.999 -4.088 1.00 62.54 C ATOM 42 O LYS A 3 6.917 -2.505 -5.007 1.00 75.44 O ATOM 43 CB LYS A 3 4.900 -3.895 -3.205 1.00 13.24 C ATOM 44 CG LYS A 3 5.275 -5.274 -2.690 1.00 55.12 C ATOM 45 CD LYS A 3 4.156 -6.277 -2.919 1.00 25.11 C ATOM 46 CE LYS A 3 3.591 -6.791 -1.604 1.00 14.53 C ATOM 47 NZ LYS A 3 2.112 -6.953 -1.662 1.00 75.12 N ATOM 0 H LYS A 3 4.384 -2.045 -1.638 1.00 12.35 H new ATOM 0 HA LYS A 3 6.825 -3.281 -2.470 1.00 21.44 H new ATOM 0 HB2 LYS A 3 3.927 -3.618 -2.800 1.00 13.24 H new ATOM 0 HB3 LYS A 3 4.794 -3.938 -4.289 1.00 13.24 H new ATOM 0 HG2 LYS A 3 6.180 -5.617 -3.191 1.00 55.12 H new ATOM 0 HG3 LYS A 3 5.502 -5.217 -1.625 1.00 55.12 H new ATOM 0 HD2 LYS A 3 3.361 -5.810 -3.500 1.00 25.11 H new ATOM 0 HD3 LYS A 3 4.531 -7.114 -3.507 1.00 25.11 H new ATOM 0 HE2 LYS A 3 4.052 -7.748 -1.360 1.00 14.53 H new ATOM 0 HE3 LYS A 3 3.849 -6.099 -0.802 1.00 14.53 H new ATOM 0 HZ1 LYS A 3 1.765 -7.305 -0.747 1.00 75.12 H new ATOM 0 HZ2 LYS A 3 1.670 -6.035 -1.870 1.00 75.12 H new ATOM 0 HZ3 LYS A 3 1.866 -7.633 -2.410 1.00 75.12 H new ATOM 61 N ASP A 4 5.849 -0.740 -4.109 1.00 23.30 N ATOM 62 CA ASP A 4 6.125 0.140 -5.238 1.00 41.51 C ATOM 63 C ASP A 4 7.568 0.635 -5.202 1.00 13.35 C ATOM 64 O ASP A 4 8.111 1.073 -6.217 1.00 0.24 O ATOM 65 CB ASP A 4 5.164 1.330 -5.231 1.00 3.43 C ATOM 66 CG ASP A 4 4.237 1.333 -6.430 1.00 11.20 C ATOM 67 OD1 ASP A 4 3.317 0.489 -6.471 1.00 43.03 O ATOM 68 OD2 ASP A 4 4.430 2.180 -7.327 1.00 2.11 O ATOM 0 H ASP A 4 5.314 -0.306 -3.357 1.00 23.30 H new ATOM 0 HA ASP A 4 5.979 -0.430 -6.155 1.00 41.51 H new ATOM 0 HB2 ASP A 4 4.571 1.309 -4.317 1.00 3.43 H new ATOM 0 HB3 ASP A 4 5.738 2.257 -5.217 1.00 3.43 H new ATOM 73 N LEU A 5 8.182 0.564 -4.026 1.00 65.11 N ATOM 74 CA LEU A 5 9.562 1.006 -3.856 1.00 65.44 C ATOM 75 C LEU A 5 10.506 0.198 -4.743 1.00 15.42 C ATOM 76 O LEU A 5 11.625 0.626 -5.026 1.00 73.24 O ATOM 77 CB LEU A 5 9.984 0.875 -2.392 1.00 0.12 C ATOM 78 CG LEU A 5 9.674 2.074 -1.495 1.00 22.03 C ATOM 79 CD1 LEU A 5 9.305 1.611 -0.094 1.00 4.22 C ATOM 80 CD2 LEU A 5 10.860 3.026 -1.449 1.00 2.31 C ATOM 0 H LEU A 5 7.746 0.205 -3.176 1.00 65.11 H new ATOM 0 HA LEU A 5 9.621 2.053 -4.152 1.00 65.44 H new ATOM 0 HB2 LEU A 5 9.496 -0.004 -1.971 1.00 0.12 H new ATOM 0 HB3 LEU A 5 11.058 0.690 -2.359 1.00 0.12 H new ATOM 0 HG LEU A 5 8.822 2.607 -1.915 1.00 22.03 H new ATOM 0 HD11 LEU A 5 9.088 2.478 0.530 1.00 4.22 H new ATOM 0 HD12 LEU A 5 8.425 0.969 -0.143 1.00 4.22 H new ATOM 0 HD13 LEU A 5 10.137 1.054 0.336 1.00 4.22 H new ATOM 0 HD21 LEU A 5 10.622 3.873 -0.806 1.00 2.31 H new ATOM 0 HD22 LEU A 5 11.731 2.504 -1.053 1.00 2.31 H new ATOM 0 HD23 LEU A 5 11.078 3.384 -2.455 1.00 2.31 H new ATOM 92 N ARG A 6 10.045 -0.969 -5.179 1.00 32.52 N ATOM 93 CA ARG A 6 10.847 -1.836 -6.034 1.00 11.00 C ATOM 94 C ARG A 6 10.910 -1.288 -7.457 1.00 20.13 C ATOM 95 O ARG A 6 11.760 -1.691 -8.251 1.00 61.13 O ATOM 96 CB ARG A 6 10.269 -3.252 -6.047 1.00 32.33 C ATOM 97 CG ARG A 6 11.295 -4.332 -5.746 1.00 4.15 C ATOM 98 CD ARG A 6 11.097 -5.552 -6.631 1.00 33.11 C ATOM 99 NE ARG A 6 12.061 -5.596 -7.727 1.00 52.10 N ATOM 100 CZ ARG A 6 12.256 -6.664 -8.492 1.00 74.12 C ATOM 101 NH1 ARG A 6 11.556 -7.771 -8.282 1.00 3.21 N ATOM 102 NH2 ARG A 6 13.151 -6.627 -9.470 1.00 43.44 N ATOM 0 H ARG A 6 9.120 -1.336 -4.954 1.00 32.52 H new ATOM 0 HA ARG A 6 11.859 -1.868 -5.630 1.00 11.00 H new ATOM 0 HB2 ARG A 6 9.464 -3.313 -5.315 1.00 32.33 H new ATOM 0 HB3 ARG A 6 9.826 -3.446 -7.024 1.00 32.33 H new ATOM 0 HG2 ARG A 6 12.299 -3.933 -5.894 1.00 4.15 H new ATOM 0 HG3 ARG A 6 11.220 -4.625 -4.699 1.00 4.15 H new ATOM 0 HD2 ARG A 6 11.191 -6.456 -6.029 1.00 33.11 H new ATOM 0 HD3 ARG A 6 10.086 -5.544 -7.038 1.00 33.11 H new ATOM 0 HE ARG A 6 12.615 -4.761 -7.915 1.00 52.10 H new ATOM 0 HH11 ARG A 6 10.866 -7.803 -7.532 1.00 3.21 H new ATOM 0 HH12 ARG A 6 11.708 -8.590 -8.871 1.00 3.21 H new ATOM 0 HH21 ARG A 6 13.691 -5.777 -9.635 1.00 43.44 H new ATOM 0 HH22 ARG A 6 13.300 -7.448 -10.057 1.00 43.44 H new ATOM 116 N HIS A 7 10.004 -0.367 -7.772 1.00 25.35 N ATOM 117 CA HIS A 7 9.957 0.236 -9.099 1.00 2.24 C ATOM 118 C HIS A 7 11.110 1.216 -9.291 1.00 44.50 C ATOM 119 O HIS A 7 11.428 1.603 -10.415 1.00 61.13 O ATOM 120 CB HIS A 7 8.623 0.953 -9.309 1.00 30.30 C ATOM 121 CG HIS A 7 7.444 0.029 -9.331 1.00 42.12 C ATOM 122 ND1 HIS A 7 6.140 0.472 -9.278 1.00 14.55 N ATOM 123 CD2 HIS A 7 7.378 -1.321 -9.404 1.00 4.14 C ATOM 124 CE1 HIS A 7 5.322 -0.565 -9.314 1.00 45.11 C ATOM 125 NE2 HIS A 7 6.049 -1.665 -9.391 1.00 61.22 N ATOM 0 H HIS A 7 9.293 -0.023 -7.127 1.00 25.35 H new ATOM 0 HA HIS A 7 10.053 -0.560 -9.837 1.00 2.24 H new ATOM 0 HB2 HIS A 7 8.485 1.686 -8.514 1.00 30.30 H new ATOM 0 HB3 HIS A 7 8.660 1.504 -10.249 1.00 30.30 H new ATOM 0 HD2 HIS A 7 8.215 -2.001 -9.462 1.00 4.14 H new ATOM 0 HE1 HIS A 7 4.243 -0.521 -9.285 1.00 45.11 H new ATOM 0 HE2 HIS A 7 5.682 -2.616 -9.434 1.00 61.22 H new ATOM 133 N ALA A 8 11.733 1.615 -8.186 1.00 75.13 N ATOM 134 CA ALA A 8 12.851 2.549 -8.234 1.00 33.21 C ATOM 135 C ALA A 8 14.117 1.864 -8.738 1.00 54.22 C ATOM 136 O ALA A 8 15.060 2.525 -9.173 1.00 62.43 O ATOM 137 CB ALA A 8 13.089 3.157 -6.860 1.00 0.22 C ATOM 0 H ALA A 8 11.482 1.306 -7.247 1.00 75.13 H new ATOM 0 HA ALA A 8 12.598 3.346 -8.933 1.00 33.21 H new ATOM 0 HB1 ALA A 8 13.927 3.853 -6.910 1.00 0.22 H new ATOM 0 HB2 ALA A 8 12.194 3.689 -6.538 1.00 0.22 H new ATOM 0 HB3 ALA A 8 13.317 2.365 -6.146 1.00 0.22 H new ATOM 143 N PHE A 9 14.131 0.537 -8.676 1.00 73.12 N ATOM 144 CA PHE A 9 15.282 -0.237 -9.125 1.00 60.32 C ATOM 145 C PHE A 9 15.382 -0.230 -10.648 1.00 0.12 C ATOM 146 O PHE A 9 16.454 -0.453 -11.211 1.00 73.12 O ATOM 147 CB PHE A 9 15.185 -1.677 -8.616 1.00 43.02 C ATOM 148 CG PHE A 9 16.481 -2.210 -8.075 1.00 42.14 C ATOM 149 CD1 PHE A 9 17.151 -1.543 -7.063 1.00 1.45 C ATOM 150 CD2 PHE A 9 17.029 -3.378 -8.579 1.00 62.43 C ATOM 151 CE1 PHE A 9 18.344 -2.031 -6.564 1.00 1.52 C ATOM 152 CE2 PHE A 9 18.222 -3.871 -8.084 1.00 72.42 C ATOM 153 CZ PHE A 9 18.880 -3.197 -7.074 1.00 55.03 C ATOM 0 H PHE A 9 13.358 -0.025 -8.319 1.00 73.12 H new ATOM 0 HA PHE A 9 16.181 0.226 -8.717 1.00 60.32 H new ATOM 0 HB2 PHE A 9 14.426 -1.728 -7.835 1.00 43.02 H new ATOM 0 HB3 PHE A 9 14.848 -2.320 -9.430 1.00 43.02 H new ATOM 0 HD1 PHE A 9 16.737 -0.631 -6.659 1.00 1.45 H new ATOM 0 HD2 PHE A 9 16.518 -3.910 -9.368 1.00 62.43 H new ATOM 0 HE1 PHE A 9 18.857 -1.501 -5.775 1.00 1.52 H new ATOM 0 HE2 PHE A 9 18.639 -4.782 -8.487 1.00 72.42 H new ATOM 0 HZ PHE A 9 19.811 -3.581 -6.684 1.00 55.03 H new ATOM 163 N ARG A 10 14.257 0.028 -11.307 1.00 64.34 N ATOM 164 CA ARG A 10 14.217 0.062 -12.764 1.00 40.53 C ATOM 165 C ARG A 10 14.585 1.449 -13.285 1.00 71.45 C ATOM 166 O ARG A 10 14.958 1.607 -14.448 1.00 24.13 O ATOM 167 CB ARG A 10 12.827 -0.331 -13.267 1.00 14.43 C ATOM 168 CG ARG A 10 12.785 -1.693 -13.940 1.00 13.23 C ATOM 169 CD ARG A 10 13.176 -1.602 -15.406 1.00 42.13 C ATOM 170 NE ARG A 10 12.009 -1.571 -16.283 1.00 70.15 N ATOM 171 CZ ARG A 10 11.197 -2.607 -16.463 1.00 63.14 C ATOM 172 NH1 ARG A 10 11.425 -3.749 -15.830 1.00 35.42 N ATOM 173 NH2 ARG A 10 10.155 -2.501 -17.278 1.00 63.51 N ATOM 0 H ARG A 10 13.362 0.216 -10.856 1.00 64.34 H new ATOM 0 HA ARG A 10 14.947 -0.655 -13.140 1.00 40.53 H new ATOM 0 HB2 ARG A 10 12.132 -0.329 -12.427 1.00 14.43 H new ATOM 0 HB3 ARG A 10 12.478 0.424 -13.972 1.00 14.43 H new ATOM 0 HG2 ARG A 10 13.460 -2.376 -13.424 1.00 13.23 H new ATOM 0 HG3 ARG A 10 11.782 -2.111 -13.855 1.00 13.23 H new ATOM 0 HD2 ARG A 10 13.774 -0.705 -15.567 1.00 42.13 H new ATOM 0 HD3 ARG A 10 13.803 -2.454 -15.667 1.00 42.13 H new ATOM 0 HE ARG A 10 11.806 -0.707 -16.785 1.00 70.15 H new ATOM 0 HH11 ARG A 10 12.225 -3.834 -15.203 1.00 35.42 H new ATOM 0 HH12 ARG A 10 10.800 -4.543 -15.970 1.00 35.42 H new ATOM 0 HH21 ARG A 10 9.977 -1.624 -17.767 1.00 63.51 H new ATOM 0 HH22 ARG A 10 9.532 -3.297 -17.416 1.00 63.51 H new ATOM 187 N SER A 11 14.476 2.450 -12.418 1.00 31.43 N ATOM 188 CA SER A 11 14.793 3.823 -12.791 1.00 53.13 C ATOM 189 C SER A 11 16.301 4.021 -12.903 1.00 43.35 C ATOM 190 O SER A 11 16.769 4.946 -13.567 1.00 11.53 O ATOM 191 CB SER A 11 14.213 4.799 -11.766 1.00 4.52 C ATOM 192 OG SER A 11 13.015 4.296 -11.203 1.00 34.35 O ATOM 0 H SER A 11 14.170 2.336 -11.452 1.00 31.43 H new ATOM 0 HA SER A 11 14.345 4.022 -13.765 1.00 53.13 H new ATOM 0 HB2 SER A 11 14.943 4.977 -10.976 1.00 4.52 H new ATOM 0 HB3 SER A 11 14.019 5.759 -12.243 1.00 4.52 H new ATOM 0 HG SER A 11 12.666 4.938 -10.550 1.00 34.35 H new ATOM 198 N MET A 12 17.057 3.145 -12.250 1.00 0.23 N ATOM 199 CA MET A 12 18.513 3.223 -12.276 1.00 60.45 C ATOM 200 C MET A 12 19.047 2.942 -13.678 1.00 33.24 C ATOM 201 O MET A 12 20.207 3.222 -13.978 1.00 64.12 O ATOM 202 CB MET A 12 19.116 2.231 -11.280 1.00 63.31 C ATOM 203 CG MET A 12 19.483 2.858 -9.945 1.00 32.32 C ATOM 204 SD MET A 12 20.294 1.695 -8.831 1.00 31.22 S ATOM 205 CE MET A 12 21.877 1.494 -9.645 1.00 34.11 C ATOM 0 H MET A 12 16.686 2.373 -11.696 1.00 0.23 H new ATOM 0 HA MET A 12 18.803 4.234 -11.991 1.00 60.45 H new ATOM 0 HB2 MET A 12 18.405 1.423 -11.109 1.00 63.31 H new ATOM 0 HB3 MET A 12 20.008 1.784 -11.720 1.00 63.31 H new ATOM 0 HG2 MET A 12 20.141 3.710 -10.117 1.00 32.32 H new ATOM 0 HG3 MET A 12 18.581 3.243 -9.469 1.00 32.32 H new ATOM 0 HE1 MET A 12 22.592 1.059 -8.947 1.00 34.11 H new ATOM 0 HE2 MET A 12 21.762 0.835 -10.506 1.00 34.11 H new ATOM 0 HE3 MET A 12 22.241 2.466 -9.978 1.00 34.11 H new ATOM 215 N PHE A 13 18.193 2.387 -14.531 1.00 74.11 N ATOM 216 CA PHE A 13 18.579 2.067 -15.900 1.00 41.14 C ATOM 217 C PHE A 13 18.636 3.328 -16.758 1.00 72.10 C ATOM 218 O PHE A 13 18.088 4.373 -16.407 1.00 40.21 O ATOM 219 CB PHE A 13 17.596 1.066 -16.510 1.00 34.12 C ATOM 220 CG PHE A 13 18.101 -0.349 -16.506 1.00 52.55 C ATOM 221 CD1 PHE A 13 18.499 -0.953 -15.325 1.00 44.10 C ATOM 222 CD2 PHE A 13 18.177 -1.074 -17.684 1.00 54.05 C ATOM 223 CE1 PHE A 13 18.965 -2.254 -15.319 1.00 64.04 C ATOM 224 CE2 PHE A 13 18.641 -2.376 -17.685 1.00 4.31 C ATOM 225 CZ PHE A 13 19.035 -2.967 -16.501 1.00 3.35 C ATOM 0 H PHE A 13 17.229 2.149 -14.298 1.00 74.11 H new ATOM 0 HA PHE A 13 19.573 1.620 -15.875 1.00 41.14 H new ATOM 0 HB2 PHE A 13 16.657 1.110 -15.959 1.00 34.12 H new ATOM 0 HB3 PHE A 13 17.378 1.362 -17.536 1.00 34.12 H new ATOM 0 HD1 PHE A 13 18.445 -0.401 -14.398 1.00 44.10 H new ATOM 0 HD2 PHE A 13 17.870 -0.616 -18.613 1.00 54.05 H new ATOM 0 HE1 PHE A 13 19.274 -2.713 -14.392 1.00 64.04 H new ATOM 0 HE2 PHE A 13 18.695 -2.930 -18.610 1.00 4.31 H new ATOM 0 HZ PHE A 13 19.397 -3.984 -16.498 1.00 3.35 H new ATOM 235 N PRO A 14 19.315 3.229 -17.910 1.00 62.13 N ATOM 236 CA PRO A 14 19.461 4.351 -18.842 1.00 75.15 C ATOM 237 C PRO A 14 18.173 4.640 -19.607 1.00 63.42 C ATOM 238 O PRO A 14 18.070 5.644 -20.311 1.00 2.30 O ATOM 239 CB PRO A 14 20.557 3.877 -19.800 1.00 75.21 C ATOM 240 CG PRO A 14 20.477 2.390 -19.760 1.00 62.31 C ATOM 241 CD PRO A 14 19.993 2.014 -18.392 1.00 64.11 C ATOM 0 HA PRO A 14 19.700 5.281 -18.326 1.00 75.15 H new ATOM 0 HB2 PRO A 14 20.392 4.255 -20.809 1.00 75.21 H new ATOM 0 HB3 PRO A 14 21.539 4.229 -19.484 1.00 75.21 H new ATOM 0 HG2 PRO A 14 19.795 2.020 -20.526 1.00 62.31 H new ATOM 0 HG3 PRO A 14 21.452 1.946 -19.960 1.00 62.31 H new ATOM 0 HD2 PRO A 14 19.311 1.164 -18.429 1.00 64.11 H new ATOM 0 HD3 PRO A 14 20.819 1.732 -17.739 1.00 64.11 H new ATOM 249 N SER A 15 17.194 3.753 -19.464 1.00 73.42 N ATOM 250 CA SER A 15 15.914 3.911 -20.145 1.00 33.14 C ATOM 251 C SER A 15 15.019 4.894 -19.397 1.00 11.45 C ATOM 252 O SER A 15 14.069 5.439 -19.960 1.00 24.13 O ATOM 253 CB SER A 15 15.210 2.559 -20.273 1.00 35.24 C ATOM 254 OG SER A 15 15.428 1.989 -21.552 1.00 15.33 O ATOM 0 H SER A 15 17.262 2.918 -18.883 1.00 73.42 H new ATOM 0 HA SER A 15 16.107 4.308 -21.142 1.00 33.14 H new ATOM 0 HB2 SER A 15 15.576 1.881 -19.502 1.00 35.24 H new ATOM 0 HB3 SER A 15 14.140 2.685 -20.105 1.00 35.24 H new ATOM 0 HG SER A 15 14.969 1.125 -21.608 1.00 15.33 H new ATOM 260 N SER A 16 15.329 5.117 -18.123 1.00 63.33 N ATOM 261 CA SER A 16 14.552 6.031 -17.295 1.00 51.34 C ATOM 262 C SER A 16 15.032 7.468 -17.476 1.00 14.43 C ATOM 263 O SER A 16 14.248 8.412 -17.377 1.00 21.13 O ATOM 264 CB SER A 16 14.651 5.629 -15.823 1.00 4.44 C ATOM 265 OG SER A 16 13.818 6.443 -15.015 1.00 23.43 O ATOM 0 H SER A 16 16.113 4.677 -17.642 1.00 63.33 H new ATOM 0 HA SER A 16 13.510 5.972 -17.610 1.00 51.34 H new ATOM 0 HB2 SER A 16 14.365 4.584 -15.708 1.00 4.44 H new ATOM 0 HB3 SER A 16 15.685 5.715 -15.488 1.00 4.44 H new ATOM 0 HG SER A 16 13.387 5.891 -14.330 1.00 23.43 H new ATOM 271 N GLU A 17 16.325 7.625 -17.741 1.00 11.11 N ATOM 272 CA GLU A 17 16.910 8.947 -17.934 1.00 74.21 C ATOM 273 C GLU A 17 16.634 9.463 -19.343 1.00 72.05 C ATOM 274 O GLU A 17 15.538 9.939 -19.637 1.00 11.52 O ATOM 275 CB GLU A 17 18.418 8.904 -17.681 1.00 60.51 C ATOM 276 CG GLU A 17 18.785 8.764 -16.213 1.00 43.43 C ATOM 277 CD GLU A 17 20.079 9.475 -15.866 1.00 11.04 C ATOM 278 OE1 GLU A 17 20.038 10.702 -15.638 1.00 40.41 O ATOM 279 OE2 GLU A 17 21.131 8.805 -15.821 1.00 64.34 O ATOM 0 H GLU A 17 16.987 6.854 -17.827 1.00 11.11 H new ATOM 0 HA GLU A 17 16.449 9.628 -17.219 1.00 74.21 H new ATOM 0 HB2 GLU A 17 18.847 8.069 -18.235 1.00 60.51 H new ATOM 0 HB3 GLU A 17 18.870 9.814 -18.075 1.00 60.51 H new ATOM 0 HG2 GLU A 17 17.978 9.166 -15.600 1.00 43.43 H new ATOM 0 HG3 GLU A 17 18.877 7.707 -15.964 1.00 43.43 H new TER 286 GLU A 17