USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=4 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 Set 1.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 16 SER OG : rot -38:sc= -0.0136 USER MOD Single : A 1 ARG N :NH3+ -163:sc= -0.0454 (180deg=-0.67) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.302 -0.437 -0.500 1.00 53.04 N ATOM 2 CA ARG A 1 3.198 0.644 -0.892 1.00 25.15 C ATOM 3 C ARG A 1 4.648 0.168 -0.910 1.00 21.14 C ATOM 4 O ARG A 1 5.465 0.753 -1.619 1.00 22.10 O ATOM 5 CB ARG A 1 3.051 1.829 0.065 1.00 24.41 C ATOM 6 CG ARG A 1 1.686 2.493 0.006 1.00 34.02 C ATOM 7 CD ARG A 1 1.527 3.537 1.100 1.00 14.31 C ATOM 8 NE ARG A 1 1.631 4.897 0.578 1.00 52.21 N ATOM 9 CZ ARG A 1 1.819 5.966 1.344 1.00 41.13 C ATOM 10 NH1 ARG A 1 1.924 5.833 2.659 1.00 52.42 N ATOM 11 NH2 ARG A 1 1.904 7.171 0.794 1.00 34.12 N ATOM 0 H1 ARG A 1 1.327 -0.193 -0.766 1.00 53.04 H new ATOM 0 H2 ARG A 1 2.584 -1.314 -0.983 1.00 53.04 H new ATOM 0 H3 ARG A 1 2.356 -0.576 0.529 1.00 53.04 H new ATOM 0 HA ARG A 1 2.925 0.962 -1.898 1.00 25.15 H new ATOM 0 HB2 ARG A 1 3.236 1.488 1.084 1.00 24.41 H new ATOM 0 HB3 ARG A 1 3.816 2.570 -0.167 1.00 24.41 H new ATOM 0 HG2 ARG A 1 1.550 2.962 -0.969 1.00 34.02 H new ATOM 0 HG3 ARG A 1 0.908 1.737 0.107 1.00 34.02 H new ATOM 0 HD2 ARG A 1 0.560 3.408 1.586 1.00 14.31 H new ATOM 0 HD3 ARG A 1 2.290 3.382 1.863 1.00 14.31 H new ATOM 0 HE ARG A 1 1.555 5.034 -0.430 1.00 52.21 H new ATOM 0 HH11 ARG A 1 1.860 4.908 3.085 1.00 52.42 H new ATOM 0 HH12 ARG A 1 2.068 6.655 3.245 1.00 52.42 H new ATOM 0 HH21 ARG A 1 1.825 7.277 -0.217 1.00 34.12 H new ATOM 0 HH22 ARG A 1 2.048 7.991 1.383 1.00 34.12 H new HETATM 25 N SEP A 2 4.932 -0.871 -0.138 1.00 2.13 N HETATM 26 CA SEP A 2 6.317 -1.425 -0.073 1.00 2.21 C HETATM 27 CB SEP A 2 6.559 -2.107 1.306 1.00 13.20 C HETATM 28 OG SEP A 2 5.315 -2.276 2.026 1.00 20.32 O HETATM 29 C SEP A 2 6.566 -2.302 -1.273 1.00 12.24 C HETATM 30 O SEP A 2 7.685 -2.725 -1.563 1.00 40.52 O HETATM 31 P SEP A 2 4.670 -3.734 2.307 1.00 13.25 P HETATM 32 O1P SEP A 2 5.127 -4.696 1.217 1.00 21.41 O HETATM 33 O2P SEP A 2 5.214 -4.224 3.654 1.00 72.15 O HETATM 34 O3P SEP A 2 3.150 -3.640 2.356 1.00 73.01 O HETATM 0 HB3 SEP A 2 7.032 -3.078 1.158 1.00 13.20 H new HETATM 0 HB2 SEP A 2 7.247 -1.504 1.898 1.00 13.20 H new HETATM 0 HA SEP A 2 7.061 -0.630 -0.129 1.00 2.21 H new HETATM 0 H SEP A 2 4.304 -0.973 0.659 1.00 2.13 H new ATOM 39 N LYS A 3 5.481 -2.579 -1.988 1.00 32.55 N ATOM 40 CA LYS A 3 5.544 -3.414 -3.182 1.00 15.05 C ATOM 41 C LYS A 3 5.862 -2.575 -4.415 1.00 74.43 C ATOM 42 O LYS A 3 6.428 -3.075 -5.388 1.00 15.11 O ATOM 43 CB LYS A 3 4.219 -4.153 -3.382 1.00 72.51 C ATOM 44 CG LYS A 3 4.354 -5.666 -3.343 1.00 44.23 C ATOM 45 CD LYS A 3 4.766 -6.224 -4.695 1.00 44.43 C ATOM 46 CE LYS A 3 5.658 -7.447 -4.545 1.00 43.43 C ATOM 47 NZ LYS A 3 5.043 -8.659 -5.152 1.00 62.42 N ATOM 0 H LYS A 3 4.547 -2.237 -1.761 1.00 32.55 H new ATOM 0 HA LYS A 3 6.342 -4.143 -3.045 1.00 15.05 H new ATOM 0 HB2 LYS A 3 3.517 -3.839 -2.609 1.00 72.51 H new ATOM 0 HB3 LYS A 3 3.790 -3.860 -4.340 1.00 72.51 H new ATOM 0 HG2 LYS A 3 5.092 -5.947 -2.592 1.00 44.23 H new ATOM 0 HG3 LYS A 3 3.406 -6.109 -3.039 1.00 44.23 H new ATOM 0 HD2 LYS A 3 3.877 -6.489 -5.267 1.00 44.43 H new ATOM 0 HD3 LYS A 3 5.292 -5.456 -5.262 1.00 44.43 H new ATOM 0 HE2 LYS A 3 6.622 -7.254 -5.016 1.00 43.43 H new ATOM 0 HE3 LYS A 3 5.851 -7.628 -3.488 1.00 43.43 H new ATOM 0 HZ1 LYS A 3 5.681 -9.471 -5.029 1.00 62.42 H new ATOM 0 HZ2 LYS A 3 4.135 -8.859 -4.685 1.00 62.42 H new ATOM 0 HZ3 LYS A 3 4.882 -8.496 -6.166 1.00 62.42 H new ATOM 61 N ASP A 4 5.496 -1.299 -4.368 1.00 32.30 N ATOM 62 CA ASP A 4 5.745 -0.391 -5.481 1.00 53.31 C ATOM 63 C ASP A 4 7.192 0.092 -5.475 1.00 52.14 C ATOM 64 O ASP A 4 7.705 0.560 -6.492 1.00 44.15 O ATOM 65 CB ASP A 4 4.795 0.806 -5.413 1.00 35.11 C ATOM 66 CG ASP A 4 3.824 0.842 -6.577 1.00 63.03 C ATOM 67 OD1 ASP A 4 3.147 -0.180 -6.817 1.00 4.52 O ATOM 68 OD2 ASP A 4 3.742 1.891 -7.250 1.00 5.43 O ATOM 0 H ASP A 4 5.026 -0.870 -3.571 1.00 32.30 H new ATOM 0 HA ASP A 4 5.566 -0.935 -6.408 1.00 53.31 H new ATOM 0 HB2 ASP A 4 4.236 0.769 -4.478 1.00 35.11 H new ATOM 0 HB3 ASP A 4 5.377 1.728 -5.400 1.00 35.11 H new ATOM 73 N LEU A 5 7.844 -0.023 -4.324 1.00 31.51 N ATOM 74 CA LEU A 5 9.232 0.402 -4.185 1.00 3.11 C ATOM 75 C LEU A 5 10.140 -0.384 -5.126 1.00 33.24 C ATOM 76 O LEU A 5 11.254 0.042 -5.429 1.00 61.14 O ATOM 77 CB LEU A 5 9.699 0.223 -2.739 1.00 61.42 C ATOM 78 CG LEU A 5 10.273 1.466 -2.060 1.00 3.31 C ATOM 79 CD1 LEU A 5 10.288 1.291 -0.549 1.00 64.44 C ATOM 80 CD2 LEU A 5 11.674 1.759 -2.579 1.00 33.23 C ATOM 0 H LEU A 5 7.434 -0.407 -3.473 1.00 31.51 H new ATOM 0 HA LEU A 5 9.291 1.457 -4.451 1.00 3.11 H new ATOM 0 HB2 LEU A 5 8.855 -0.133 -2.147 1.00 61.42 H new ATOM 0 HB3 LEU A 5 10.456 -0.561 -2.717 1.00 61.42 H new ATOM 0 HG LEU A 5 9.633 2.315 -2.300 1.00 3.31 H new ATOM 0 HD11 LEU A 5 10.700 2.186 -0.083 1.00 64.44 H new ATOM 0 HD12 LEU A 5 9.271 1.131 -0.191 1.00 64.44 H new ATOM 0 HD13 LEU A 5 10.904 0.430 -0.289 1.00 64.44 H new ATOM 0 HD21 LEU A 5 12.067 2.647 -2.084 1.00 33.23 H new ATOM 0 HD22 LEU A 5 12.324 0.910 -2.370 1.00 33.23 H new ATOM 0 HD23 LEU A 5 11.635 1.930 -3.655 1.00 33.23 H new ATOM 92 N ARG A 6 9.654 -1.533 -5.585 1.00 41.20 N ATOM 93 CA ARG A 6 10.421 -2.378 -6.492 1.00 72.12 C ATOM 94 C ARG A 6 10.440 -1.788 -7.899 1.00 44.02 C ATOM 95 O ARG A 6 11.267 -2.165 -8.731 1.00 34.42 O ATOM 96 CB ARG A 6 9.832 -3.790 -6.528 1.00 4.21 C ATOM 97 CG ARG A 6 9.540 -4.363 -5.151 1.00 4.12 C ATOM 98 CD ARG A 6 8.917 -5.747 -5.244 1.00 54.40 C ATOM 99 NE ARG A 6 9.772 -6.774 -4.656 1.00 44.40 N ATOM 100 CZ ARG A 6 9.966 -6.909 -3.349 1.00 2.32 C ATOM 101 NH1 ARG A 6 9.368 -6.087 -2.498 1.00 53.41 N ATOM 102 NH2 ARG A 6 10.760 -7.868 -2.890 1.00 73.33 N ATOM 0 H ARG A 6 8.733 -1.900 -5.344 1.00 41.20 H new ATOM 0 HA ARG A 6 11.446 -2.428 -6.123 1.00 72.12 H new ATOM 0 HB2 ARG A 6 8.910 -3.775 -7.109 1.00 4.21 H new ATOM 0 HB3 ARG A 6 10.526 -4.451 -7.048 1.00 4.21 H new ATOM 0 HG2 ARG A 6 10.464 -4.417 -4.575 1.00 4.12 H new ATOM 0 HG3 ARG A 6 8.867 -3.695 -4.613 1.00 4.12 H new ATOM 0 HD2 ARG A 6 7.952 -5.745 -4.737 1.00 54.40 H new ATOM 0 HD3 ARG A 6 8.727 -5.989 -6.290 1.00 54.40 H new ATOM 0 HE ARG A 6 10.246 -7.423 -5.283 1.00 44.40 H new ATOM 0 HH11 ARG A 6 8.757 -5.348 -2.846 1.00 53.41 H new ATOM 0 HH12 ARG A 6 9.519 -6.193 -1.495 1.00 53.41 H new ATOM 0 HH21 ARG A 6 11.222 -8.503 -3.541 1.00 73.33 H new ATOM 0 HH22 ARG A 6 10.908 -7.971 -1.886 1.00 73.33 H new ATOM 116 N HIS A 7 9.525 -0.860 -8.159 1.00 74.21 N ATOM 117 CA HIS A 7 9.437 -0.218 -9.466 1.00 13.44 C ATOM 118 C HIS A 7 10.592 0.758 -9.670 1.00 14.21 C ATOM 119 O HIS A 7 10.875 1.174 -10.793 1.00 74.52 O ATOM 120 CB HIS A 7 8.103 0.516 -9.608 1.00 33.11 C ATOM 121 CG HIS A 7 6.924 -0.401 -9.718 1.00 72.13 C ATOM 122 ND1 HIS A 7 5.640 -0.020 -9.388 1.00 24.10 N ATOM 123 CD2 HIS A 7 6.839 -1.689 -10.127 1.00 51.33 C ATOM 124 CE1 HIS A 7 4.817 -1.034 -9.587 1.00 64.12 C ATOM 125 NE2 HIS A 7 5.520 -2.059 -10.036 1.00 54.33 N ATOM 0 H HIS A 7 8.834 -0.536 -7.482 1.00 74.21 H new ATOM 0 HA HIS A 7 9.500 -0.993 -10.230 1.00 13.44 H new ATOM 0 HB2 HIS A 7 7.965 1.171 -8.748 1.00 33.11 H new ATOM 0 HB3 HIS A 7 8.141 1.154 -10.491 1.00 33.11 H new ATOM 0 HD2 HIS A 7 7.657 -2.310 -10.462 1.00 51.33 H new ATOM 0 HE1 HIS A 7 3.751 -1.027 -9.412 1.00 64.12 H new ATOM 0 HE2 HIS A 7 5.144 -2.976 -10.276 1.00 54.33 H new ATOM 133 N ALA A 8 11.254 1.120 -8.576 1.00 44.54 N ATOM 134 CA ALA A 8 12.379 2.046 -8.636 1.00 52.11 C ATOM 135 C ALA A 8 13.618 1.368 -9.211 1.00 51.31 C ATOM 136 O ALA A 8 14.592 2.032 -9.566 1.00 25.22 O ATOM 137 CB ALA A 8 12.675 2.606 -7.253 1.00 2.32 C ATOM 0 H ALA A 8 11.031 0.787 -7.638 1.00 44.54 H new ATOM 0 HA ALA A 8 12.107 2.868 -9.298 1.00 52.11 H new ATOM 0 HB1 ALA A 8 13.517 3.296 -7.312 1.00 2.32 H new ATOM 0 HB2 ALA A 8 11.798 3.135 -6.879 1.00 2.32 H new ATOM 0 HB3 ALA A 8 12.922 1.789 -6.575 1.00 2.32 H new ATOM 143 N PHE A 9 13.574 0.043 -9.300 1.00 42.10 N ATOM 144 CA PHE A 9 14.695 -0.725 -9.831 1.00 14.24 C ATOM 145 C PHE A 9 14.895 -0.439 -11.316 1.00 71.11 C ATOM 146 O PHE A 9 16.001 -0.571 -11.841 1.00 34.40 O ATOM 147 CB PHE A 9 14.462 -2.222 -9.614 1.00 44.44 C ATOM 148 CG PHE A 9 15.680 -3.061 -9.875 1.00 63.12 C ATOM 149 CD1 PHE A 9 16.861 -2.823 -9.191 1.00 24.01 C ATOM 150 CD2 PHE A 9 15.644 -4.088 -10.804 1.00 70.41 C ATOM 151 CE1 PHE A 9 17.984 -3.593 -9.430 1.00 33.53 C ATOM 152 CE2 PHE A 9 16.763 -4.863 -11.047 1.00 1.42 C ATOM 153 CZ PHE A 9 17.934 -4.615 -10.358 1.00 21.32 C ATOM 0 H PHE A 9 12.775 -0.521 -9.012 1.00 42.10 H new ATOM 0 HA PHE A 9 15.596 -0.423 -9.297 1.00 14.24 H new ATOM 0 HB2 PHE A 9 14.131 -2.385 -8.588 1.00 44.44 H new ATOM 0 HB3 PHE A 9 13.655 -2.554 -10.266 1.00 44.44 H new ATOM 0 HD1 PHE A 9 16.905 -2.027 -8.463 1.00 24.01 H new ATOM 0 HD2 PHE A 9 14.731 -4.286 -11.345 1.00 70.41 H new ATOM 0 HE1 PHE A 9 18.899 -3.396 -8.892 1.00 33.53 H new ATOM 0 HE2 PHE A 9 16.721 -5.661 -11.774 1.00 1.42 H new ATOM 0 HZ PHE A 9 18.809 -5.219 -10.545 1.00 21.32 H new ATOM 163 N ARG A 10 13.817 -0.047 -11.988 1.00 21.33 N ATOM 164 CA ARG A 10 13.873 0.255 -13.413 1.00 10.53 C ATOM 165 C ARG A 10 14.203 1.727 -13.643 1.00 44.23 C ATOM 166 O ARG A 10 14.776 2.092 -14.670 1.00 74.24 O ATOM 167 CB ARG A 10 12.541 -0.090 -14.082 1.00 25.21 C ATOM 168 CG ARG A 10 12.679 -1.050 -15.252 1.00 42.14 C ATOM 169 CD ARG A 10 12.982 -2.464 -14.781 1.00 54.30 C ATOM 170 NE ARG A 10 13.683 -3.242 -15.799 1.00 11.22 N ATOM 171 CZ ARG A 10 14.185 -4.452 -15.582 1.00 30.31 C ATOM 172 NH1 ARG A 10 14.063 -5.020 -14.390 1.00 64.31 N ATOM 173 NH2 ARG A 10 14.810 -5.097 -16.559 1.00 32.43 N ATOM 0 H ARG A 10 12.895 0.069 -11.568 1.00 21.33 H new ATOM 0 HA ARG A 10 14.663 -0.351 -13.857 1.00 10.53 H new ATOM 0 HB2 ARG A 10 11.874 -0.528 -13.340 1.00 25.21 H new ATOM 0 HB3 ARG A 10 12.070 0.829 -14.430 1.00 25.21 H new ATOM 0 HG2 ARG A 10 11.758 -1.049 -15.835 1.00 42.14 H new ATOM 0 HG3 ARG A 10 13.475 -0.707 -15.913 1.00 42.14 H new ATOM 0 HD2 ARG A 10 13.588 -2.422 -13.876 1.00 54.30 H new ATOM 0 HD3 ARG A 10 12.051 -2.966 -14.519 1.00 54.30 H new ATOM 0 HE ARG A 10 13.793 -2.834 -16.727 1.00 11.22 H new ATOM 0 HH11 ARG A 10 13.583 -4.527 -13.637 1.00 64.31 H new ATOM 0 HH12 ARG A 10 14.450 -5.950 -14.226 1.00 64.31 H new ATOM 0 HH21 ARG A 10 14.905 -4.663 -17.477 1.00 32.43 H new ATOM 0 HH22 ARG A 10 15.195 -6.026 -16.392 1.00 32.43 H new ATOM 187 N SER A 11 13.838 2.568 -12.681 1.00 4.22 N ATOM 188 CA SER A 11 14.092 4.001 -12.781 1.00 30.34 C ATOM 189 C SER A 11 15.570 4.307 -12.560 1.00 42.44 C ATOM 190 O SER A 11 16.098 5.285 -13.090 1.00 31.01 O ATOM 191 CB SER A 11 13.244 4.763 -11.760 1.00 71.54 C ATOM 192 OG SER A 11 12.778 5.988 -12.298 1.00 1.20 O ATOM 0 H SER A 11 13.365 2.282 -11.823 1.00 4.22 H new ATOM 0 HA SER A 11 13.818 4.325 -13.785 1.00 30.34 H new ATOM 0 HB2 SER A 11 12.396 4.149 -11.456 1.00 71.54 H new ATOM 0 HB3 SER A 11 13.834 4.957 -10.864 1.00 71.54 H new ATOM 0 HG SER A 11 12.237 6.455 -11.627 1.00 1.20 H new ATOM 198 N MET A 12 16.232 3.464 -11.775 1.00 3.31 N ATOM 199 CA MET A 12 17.650 3.644 -11.485 1.00 21.11 C ATOM 200 C MET A 12 18.477 3.598 -12.766 1.00 1.21 C ATOM 201 O MET A 12 19.589 4.124 -12.818 1.00 1.22 O ATOM 202 CB MET A 12 18.134 2.566 -10.513 1.00 3.42 C ATOM 203 CG MET A 12 17.649 2.772 -9.087 1.00 21.10 C ATOM 204 SD MET A 12 17.606 1.238 -8.140 1.00 41.10 S ATOM 205 CE MET A 12 18.200 1.806 -6.548 1.00 53.15 C ATOM 0 H MET A 12 15.810 2.650 -11.328 1.00 3.31 H new ATOM 0 HA MET A 12 17.780 4.623 -11.025 1.00 21.11 H new ATOM 0 HB2 MET A 12 17.796 1.592 -10.866 1.00 3.42 H new ATOM 0 HB3 MET A 12 19.224 2.546 -10.518 1.00 3.42 H new ATOM 0 HG2 MET A 12 18.302 3.486 -8.585 1.00 21.10 H new ATOM 0 HG3 MET A 12 16.651 3.211 -9.106 1.00 21.10 H new ATOM 0 HE1 MET A 12 18.230 0.969 -5.851 1.00 53.15 H new ATOM 0 HE2 MET A 12 19.202 2.221 -6.660 1.00 53.15 H new ATOM 0 HE3 MET A 12 17.530 2.575 -6.163 1.00 53.15 H new ATOM 215 N PHE A 13 17.927 2.966 -13.798 1.00 4.15 N ATOM 216 CA PHE A 13 18.615 2.851 -15.078 1.00 62.12 C ATOM 217 C PHE A 13 18.471 4.134 -15.891 1.00 12.54 C ATOM 218 O PHE A 13 17.603 4.969 -15.632 1.00 23.25 O ATOM 219 CB PHE A 13 18.063 1.666 -15.873 1.00 74.01 C ATOM 220 CG PHE A 13 18.747 0.365 -15.564 1.00 44.32 C ATOM 221 CD1 PHE A 13 20.124 0.250 -15.669 1.00 42.04 C ATOM 222 CD2 PHE A 13 18.014 -0.742 -15.168 1.00 45.31 C ATOM 223 CE1 PHE A 13 20.757 -0.946 -15.386 1.00 55.15 C ATOM 224 CE2 PHE A 13 18.641 -1.940 -14.883 1.00 64.24 C ATOM 225 CZ PHE A 13 20.014 -2.042 -14.992 1.00 4.02 C ATOM 0 H PHE A 13 17.007 2.526 -13.772 1.00 4.15 H new ATOM 0 HA PHE A 13 19.674 2.685 -14.879 1.00 62.12 H new ATOM 0 HB2 PHE A 13 16.998 1.565 -15.666 1.00 74.01 H new ATOM 0 HB3 PHE A 13 18.163 1.875 -16.938 1.00 74.01 H new ATOM 0 HD1 PHE A 13 20.709 1.104 -15.975 1.00 42.04 H new ATOM 0 HD2 PHE A 13 16.940 -0.668 -15.081 1.00 45.31 H new ATOM 0 HE1 PHE A 13 21.831 -1.023 -15.473 1.00 55.15 H new ATOM 0 HE2 PHE A 13 18.058 -2.796 -14.575 1.00 64.24 H new ATOM 0 HZ PHE A 13 20.506 -2.977 -14.770 1.00 4.02 H new ATOM 235 N PRO A 14 19.342 4.298 -16.898 1.00 34.24 N ATOM 236 CA PRO A 14 19.332 5.477 -17.769 1.00 22.32 C ATOM 237 C PRO A 14 18.237 5.407 -18.827 1.00 73.31 C ATOM 238 O PRO A 14 17.890 6.415 -19.443 1.00 34.35 O ATOM 239 CB PRO A 14 20.714 5.443 -18.427 1.00 20.44 C ATOM 240 CG PRO A 14 21.114 4.008 -18.393 1.00 3.11 C ATOM 241 CD PRO A 14 20.402 3.344 -17.264 1.00 21.04 C ATOM 0 HA PRO A 14 19.131 6.393 -17.213 1.00 22.32 H new ATOM 0 HB2 PRO A 14 20.675 5.819 -19.449 1.00 20.44 H new ATOM 0 HB3 PRO A 14 21.426 6.066 -17.885 1.00 20.44 H new ATOM 0 HG2 PRO A 14 20.863 3.523 -19.336 1.00 3.11 H new ATOM 0 HG3 PRO A 14 22.193 3.919 -18.265 1.00 3.11 H new ATOM 0 HD2 PRO A 14 19.986 2.382 -17.565 1.00 21.04 H new ATOM 0 HD3 PRO A 14 21.073 3.153 -16.427 1.00 21.04 H new ATOM 249 N SER A 15 17.695 4.210 -19.034 1.00 2.54 N ATOM 250 CA SER A 15 16.641 4.009 -20.020 1.00 73.34 C ATOM 251 C SER A 15 15.335 4.650 -19.560 1.00 5.45 C ATOM 252 O SER A 15 14.385 4.775 -20.332 1.00 64.13 O ATOM 253 CB SER A 15 16.427 2.515 -20.271 1.00 70.33 C ATOM 254 OG SER A 15 16.904 2.139 -21.552 1.00 11.32 O ATOM 0 H SER A 15 17.969 3.366 -18.532 1.00 2.54 H new ATOM 0 HA SER A 15 16.952 4.487 -20.949 1.00 73.34 H new ATOM 0 HB2 SER A 15 16.942 1.937 -19.504 1.00 70.33 H new ATOM 0 HB3 SER A 15 15.366 2.278 -20.191 1.00 70.33 H new ATOM 0 HG SER A 15 16.757 1.180 -21.687 1.00 11.32 H new ATOM 260 N SER A 16 15.297 5.056 -18.294 1.00 43.13 N ATOM 261 CA SER A 16 14.108 5.682 -17.728 1.00 21.32 C ATOM 262 C SER A 16 13.984 7.130 -18.191 1.00 15.25 C ATOM 263 O SER A 16 12.903 7.716 -18.144 1.00 13.41 O ATOM 264 CB SER A 16 14.155 5.625 -16.200 1.00 20.23 C ATOM 265 OG SER A 16 12.858 5.755 -15.644 1.00 73.15 O ATOM 0 H SER A 16 16.076 4.962 -17.642 1.00 43.13 H new ATOM 0 HA SER A 16 13.235 5.131 -18.078 1.00 21.32 H new ATOM 0 HB2 SER A 16 14.597 4.681 -15.882 1.00 20.23 H new ATOM 0 HB3 SER A 16 14.797 6.421 -15.823 1.00 20.23 H new ATOM 0 HG SER A 16 12.340 6.401 -16.169 1.00 73.15 H new ATOM 271 N GLU A 17 15.098 7.700 -18.637 1.00 5.32 N ATOM 272 CA GLU A 17 15.114 9.080 -19.107 1.00 45.43 C ATOM 273 C GLU A 17 14.818 9.149 -20.603 1.00 34.14 C ATOM 274 O GLU A 17 13.660 9.102 -21.018 1.00 64.11 O ATOM 275 CB GLU A 17 16.470 9.726 -18.815 1.00 44.52 C ATOM 276 CG GLU A 17 16.616 10.215 -17.384 1.00 23.43 C ATOM 277 CD GLU A 17 18.064 10.292 -16.938 1.00 73.23 C ATOM 278 OE1 GLU A 17 18.712 9.229 -16.843 1.00 70.53 O ATOM 279 OE2 GLU A 17 18.548 11.414 -16.685 1.00 11.43 O ATOM 0 H GLU A 17 16.001 7.228 -18.683 1.00 5.32 H new ATOM 0 HA GLU A 17 14.336 9.627 -18.574 1.00 45.43 H new ATOM 0 HB2 GLU A 17 17.259 9.005 -19.026 1.00 44.52 H new ATOM 0 HB3 GLU A 17 16.616 10.566 -19.494 1.00 44.52 H new ATOM 0 HG2 GLU A 17 16.159 11.200 -17.292 1.00 23.43 H new ATOM 0 HG3 GLU A 17 16.070 9.547 -16.718 1.00 23.43 H new TER 286 GLU A 17