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 Single : A 1 ARG N :NH3+ 135:sc= 0.0405 (180deg=-0.0373) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 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 Single : A 16 SER OG : rot 139:sc= 0.0407 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.664 3.027 -1.163 1.00 41.43 N ATOM 2 CA ARG A 1 4.536 1.783 -0.415 1.00 21.13 C ATOM 3 C ARG A 1 5.874 1.053 -0.340 1.00 2.42 C ATOM 4 O ARG A 1 6.820 1.459 -1.014 1.00 13.01 O ATOM 5 CB ARG A 1 3.486 0.879 -1.063 1.00 32.14 C ATOM 6 CG ARG A 1 2.313 0.557 -0.151 1.00 0.33 C ATOM 7 CD ARG A 1 1.274 -0.297 -0.860 1.00 20.21 C ATOM 8 NE ARG A 1 0.601 0.435 -1.929 1.00 70.15 N ATOM 9 CZ ARG A 1 -0.060 -0.154 -2.920 1.00 44.12 C ATOM 10 NH1 ARG A 1 -0.136 -1.476 -2.977 1.00 23.42 N ATOM 11 NH2 ARG A 1 -0.646 0.581 -3.857 1.00 32.43 N ATOM 0 H1 ARG A 1 3.870 3.115 -1.828 1.00 41.43 H new ATOM 0 H2 ARG A 1 4.654 3.831 -0.504 1.00 41.43 H new ATOM 0 H3 ARG A 1 5.560 3.024 -1.692 1.00 41.43 H new ATOM 0 HA ARG A 1 4.219 2.029 0.598 1.00 21.13 H new ATOM 0 HB2 ARG A 1 3.112 1.361 -1.966 1.00 32.14 H new ATOM 0 HB3 ARG A 1 3.961 -0.052 -1.372 1.00 32.14 H new ATOM 0 HG2 ARG A 1 2.673 0.034 0.735 1.00 0.33 H new ATOM 0 HG3 ARG A 1 1.852 1.483 0.191 1.00 0.33 H new ATOM 0 HD2 ARG A 1 1.755 -1.183 -1.274 1.00 20.21 H new ATOM 0 HD3 ARG A 1 0.535 -0.644 -0.137 1.00 20.21 H new ATOM 0 HE ARG A 1 0.640 1.454 -1.914 1.00 70.15 H new ATOM 0 HH11 ARG A 1 0.314 -2.044 -2.259 1.00 23.42 H new ATOM 0 HH12 ARG A 1 -0.644 -1.925 -3.739 1.00 23.42 H new ATOM 0 HH21 ARG A 1 -0.589 1.599 -3.817 1.00 32.43 H new ATOM 0 HH22 ARG A 1 -1.153 0.128 -4.617 1.00 32.43 H new HETATM 25 N SEP A 2 5.924 0.005 0.469 1.00 4.43 N HETATM 26 CA SEP A 2 7.181 -0.786 0.625 1.00 75.51 C HETATM 27 CB SEP A 2 7.184 -1.524 1.996 1.00 0.15 C HETATM 28 OG SEP A 2 8.149 -2.602 2.004 1.00 71.45 O HETATM 29 C SEP A 2 7.370 -1.673 -0.579 1.00 34.25 C HETATM 30 O SEP A 2 8.481 -2.037 -0.965 1.00 54.42 O HETATM 31 P SEP A 2 9.018 -2.977 3.317 1.00 70.45 P HETATM 32 O1P SEP A 2 10.177 -1.994 3.441 1.00 73.25 O HETATM 33 O2P SEP A 2 8.103 -2.812 4.534 1.00 32.25 O HETATM 34 O3P SEP A 2 9.522 -4.412 3.227 1.00 71.45 O HETATM 0 HB3 SEP A 2 7.417 -0.817 2.793 1.00 0.15 H new HETATM 0 HB2 SEP A 2 6.190 -1.920 2.202 1.00 0.15 H new HETATM 0 HA SEP A 2 8.055 -0.135 0.653 1.00 75.51 H new HETATM 0 H SEP A 2 5.224 0.001 1.210 1.00 4.43 H new ATOM 39 N LYS A 3 6.242 -2.028 -1.185 1.00 31.52 N ATOM 40 CA LYS A 3 6.244 -2.883 -2.366 1.00 22.41 C ATOM 41 C LYS A 3 6.549 -2.074 -3.623 1.00 21.44 C ATOM 42 O LYS A 3 7.110 -2.595 -4.587 1.00 22.33 O ATOM 43 CB LYS A 3 4.893 -3.586 -2.515 1.00 20.55 C ATOM 44 CG LYS A 3 4.520 -4.447 -1.319 1.00 42.54 C ATOM 45 CD LYS A 3 3.528 -5.532 -1.701 1.00 54.33 C ATOM 46 CE LYS A 3 2.125 -4.969 -1.874 1.00 43.44 C ATOM 47 NZ LYS A 3 1.175 -5.531 -0.876 1.00 15.03 N ATOM 0 H LYS A 3 5.314 -1.737 -0.877 1.00 31.52 H new ATOM 0 HA LYS A 3 7.025 -3.633 -2.239 1.00 22.41 H new ATOM 0 HB2 LYS A 3 4.117 -2.836 -2.668 1.00 20.55 H new ATOM 0 HB3 LYS A 3 4.914 -4.210 -3.409 1.00 20.55 H new ATOM 0 HG2 LYS A 3 5.418 -4.904 -0.904 1.00 42.54 H new ATOM 0 HG3 LYS A 3 4.091 -3.820 -0.537 1.00 42.54 H new ATOM 0 HD2 LYS A 3 3.847 -6.008 -2.628 1.00 54.33 H new ATOM 0 HD3 LYS A 3 3.519 -6.305 -0.933 1.00 54.33 H new ATOM 0 HE2 LYS A 3 2.155 -3.884 -1.776 1.00 43.44 H new ATOM 0 HE3 LYS A 3 1.767 -5.189 -2.880 1.00 43.44 H new ATOM 0 HZ1 LYS A 3 0.231 -5.123 -1.027 1.00 15.03 H new ATOM 0 HZ2 LYS A 3 1.127 -6.564 -0.986 1.00 15.03 H new ATOM 0 HZ3 LYS A 3 1.502 -5.300 0.084 1.00 15.03 H new ATOM 61 N ASP A 4 6.177 -0.799 -3.604 1.00 63.22 N ATOM 62 CA ASP A 4 6.414 0.083 -4.742 1.00 34.55 C ATOM 63 C ASP A 4 7.893 0.438 -4.855 1.00 53.23 C ATOM 64 O ASP A 4 8.361 0.860 -5.914 1.00 23.33 O ATOM 65 CB ASP A 4 5.579 1.357 -4.608 1.00 54.01 C ATOM 66 CG ASP A 4 4.532 1.480 -5.698 1.00 12.02 C ATOM 67 OD1 ASP A 4 3.614 0.634 -5.737 1.00 3.13 O ATOM 68 OD2 ASP A 4 4.631 2.422 -6.512 1.00 75.23 O ATOM 0 H ASP A 4 5.711 -0.353 -2.814 1.00 63.22 H new ATOM 0 HA ASP A 4 6.116 -0.444 -5.648 1.00 34.55 H new ATOM 0 HB2 ASP A 4 5.089 1.366 -3.635 1.00 54.01 H new ATOM 0 HB3 ASP A 4 6.238 2.225 -4.641 1.00 54.01 H new ATOM 73 N LEU A 5 8.623 0.267 -3.759 1.00 61.21 N ATOM 74 CA LEU A 5 10.050 0.571 -3.735 1.00 33.41 C ATOM 75 C LEU A 5 10.805 -0.281 -4.750 1.00 61.11 C ATOM 76 O LEU A 5 11.917 0.058 -5.154 1.00 43.04 O ATOM 77 CB LEU A 5 10.617 0.337 -2.334 1.00 2.34 C ATOM 78 CG LEU A 5 10.582 1.538 -1.387 1.00 20.41 C ATOM 79 CD1 LEU A 5 10.721 1.082 0.057 1.00 1.45 C ATOM 80 CD2 LEU A 5 11.679 2.530 -1.743 1.00 41.22 C ATOM 0 H LEU A 5 8.251 -0.080 -2.875 1.00 61.21 H new ATOM 0 HA LEU A 5 10.178 1.620 -4.002 1.00 33.41 H new ATOM 0 HB2 LEU A 5 10.064 -0.481 -1.872 1.00 2.34 H new ATOM 0 HB3 LEU A 5 11.651 0.007 -2.433 1.00 2.34 H new ATOM 0 HG LEU A 5 9.619 2.037 -1.498 1.00 20.41 H new ATOM 0 HD11 LEU A 5 10.694 1.949 0.717 1.00 1.45 H new ATOM 0 HD12 LEU A 5 9.900 0.410 0.307 1.00 1.45 H new ATOM 0 HD13 LEU A 5 11.669 0.559 0.184 1.00 1.45 H new ATOM 0 HD21 LEU A 5 11.639 3.378 -1.059 1.00 41.22 H new ATOM 0 HD22 LEU A 5 12.651 2.043 -1.661 1.00 41.22 H new ATOM 0 HD23 LEU A 5 11.535 2.881 -2.765 1.00 41.22 H new ATOM 92 N ARG A 6 10.192 -1.387 -5.159 1.00 64.24 N ATOM 93 CA ARG A 6 10.807 -2.287 -6.128 1.00 54.13 C ATOM 94 C ARG A 6 10.745 -1.696 -7.534 1.00 32.21 C ATOM 95 O ARG A 6 11.506 -2.090 -8.418 1.00 42.22 O ATOM 96 CB ARG A 6 10.110 -3.649 -6.105 1.00 1.33 C ATOM 97 CG ARG A 6 10.403 -4.461 -4.854 1.00 12.12 C ATOM 98 CD ARG A 6 11.534 -5.451 -5.084 1.00 41.33 C ATOM 99 NE ARG A 6 11.154 -6.509 -6.017 1.00 1.34 N ATOM 100 CZ ARG A 6 10.399 -7.549 -5.680 1.00 42.51 C ATOM 101 NH1 ARG A 6 9.945 -7.669 -4.440 1.00 45.12 N ATOM 102 NH2 ARG A 6 10.096 -8.470 -6.585 1.00 62.51 N ATOM 0 H ARG A 6 9.271 -1.681 -4.835 1.00 64.24 H new ATOM 0 HA ARG A 6 11.854 -2.417 -5.852 1.00 54.13 H new ATOM 0 HB2 ARG A 6 9.034 -3.498 -6.187 1.00 1.33 H new ATOM 0 HB3 ARG A 6 10.419 -4.221 -6.980 1.00 1.33 H new ATOM 0 HG2 ARG A 6 10.666 -3.790 -4.037 1.00 12.12 H new ATOM 0 HG3 ARG A 6 9.505 -4.998 -4.549 1.00 12.12 H new ATOM 0 HD2 ARG A 6 12.405 -4.922 -5.471 1.00 41.33 H new ATOM 0 HD3 ARG A 6 11.827 -5.895 -4.132 1.00 41.33 H new ATOM 0 HE ARG A 6 11.486 -6.446 -6.979 1.00 1.34 H new ATOM 0 HH11 ARG A 6 10.175 -6.962 -3.742 1.00 45.12 H new ATOM 0 HH12 ARG A 6 9.366 -8.469 -4.184 1.00 45.12 H new ATOM 0 HH21 ARG A 6 10.443 -8.380 -7.540 1.00 62.51 H new ATOM 0 HH22 ARG A 6 9.516 -9.268 -6.326 1.00 62.51 H new ATOM 116 N HIS A 7 9.833 -0.750 -7.733 1.00 53.11 N ATOM 117 CA HIS A 7 9.671 -0.105 -9.031 1.00 43.22 C ATOM 118 C HIS A 7 10.802 0.887 -9.289 1.00 55.13 C ATOM 119 O HIS A 7 11.025 1.306 -10.424 1.00 42.44 O ATOM 120 CB HIS A 7 8.322 0.611 -9.104 1.00 43.14 C ATOM 121 CG HIS A 7 7.812 0.787 -10.502 1.00 23.43 C ATOM 122 ND1 HIS A 7 8.074 1.906 -11.263 1.00 72.02 N ATOM 123 CD2 HIS A 7 7.054 -0.024 -11.276 1.00 34.34 C ATOM 124 CE1 HIS A 7 7.497 1.777 -12.444 1.00 75.14 C ATOM 125 NE2 HIS A 7 6.871 0.614 -12.478 1.00 23.13 N ATOM 0 H HIS A 7 9.195 -0.413 -7.012 1.00 53.11 H new ATOM 0 HA HIS A 7 9.706 -0.877 -9.800 1.00 43.22 H new ATOM 0 HB2 HIS A 7 7.589 0.047 -8.527 1.00 43.14 H new ATOM 0 HB3 HIS A 7 8.414 1.590 -8.633 1.00 43.14 H new ATOM 0 HD2 HIS A 7 6.665 -0.993 -11.000 1.00 34.34 H new ATOM 0 HE1 HIS A 7 7.531 2.500 -13.246 1.00 75.14 H new ATOM 0 HE2 HIS A 7 6.339 0.250 -13.268 1.00 23.13 H new ATOM 133 N ALA A 8 11.510 1.258 -8.228 1.00 42.51 N ATOM 134 CA ALA A 8 12.617 2.200 -8.340 1.00 65.32 C ATOM 135 C ALA A 8 13.801 1.571 -9.067 1.00 24.54 C ATOM 136 O ALA A 8 14.696 2.272 -9.539 1.00 64.43 O ATOM 137 CB ALA A 8 13.039 2.685 -6.961 1.00 42.12 C ATOM 0 H ALA A 8 11.337 0.921 -7.281 1.00 42.51 H new ATOM 0 HA ALA A 8 12.277 3.055 -8.925 1.00 65.32 H new ATOM 0 HB1 ALA A 8 13.866 3.388 -7.060 1.00 42.12 H new ATOM 0 HB2 ALA A 8 12.198 3.181 -6.476 1.00 42.12 H new ATOM 0 HB3 ALA A 8 13.356 1.834 -6.357 1.00 42.12 H new ATOM 143 N PHE A 9 13.801 0.244 -9.152 1.00 13.35 N ATOM 144 CA PHE A 9 14.876 -0.480 -9.819 1.00 42.42 C ATOM 145 C PHE A 9 14.890 -0.175 -11.314 1.00 62.34 C ATOM 146 O PHE A 9 15.915 -0.327 -11.980 1.00 34.50 O ATOM 147 CB PHE A 9 14.722 -1.985 -9.595 1.00 71.31 C ATOM 148 CG PHE A 9 15.676 -2.541 -8.577 1.00 44.30 C ATOM 149 CD1 PHE A 9 15.792 -1.958 -7.326 1.00 12.45 C ATOM 150 CD2 PHE A 9 16.459 -3.646 -8.872 1.00 14.21 C ATOM 151 CE1 PHE A 9 16.669 -2.466 -6.386 1.00 72.42 C ATOM 152 CE2 PHE A 9 17.337 -4.159 -7.937 1.00 30.25 C ATOM 153 CZ PHE A 9 17.443 -3.568 -6.693 1.00 22.24 C ATOM 0 H PHE A 9 13.068 -0.351 -8.767 1.00 13.35 H new ATOM 0 HA PHE A 9 15.823 -0.152 -9.390 1.00 42.42 H new ATOM 0 HB2 PHE A 9 13.701 -2.194 -9.276 1.00 71.31 H new ATOM 0 HB3 PHE A 9 14.872 -2.502 -10.543 1.00 71.31 H new ATOM 0 HD1 PHE A 9 15.190 -1.096 -7.082 1.00 12.45 H new ATOM 0 HD2 PHE A 9 16.382 -4.111 -9.844 1.00 14.21 H new ATOM 0 HE1 PHE A 9 16.749 -2.002 -5.414 1.00 72.42 H new ATOM 0 HE2 PHE A 9 17.940 -5.022 -8.179 1.00 30.25 H new ATOM 0 HZ PHE A 9 18.130 -3.967 -5.961 1.00 22.24 H new ATOM 163 N ARG A 10 13.746 0.255 -11.835 1.00 73.23 N ATOM 164 CA ARG A 10 13.625 0.579 -13.252 1.00 20.23 C ATOM 165 C ARG A 10 14.152 1.983 -13.535 1.00 72.40 C ATOM 166 O ARG A 10 14.684 2.251 -14.612 1.00 54.22 O ATOM 167 CB ARG A 10 12.166 0.470 -13.699 1.00 62.01 C ATOM 168 CG ARG A 10 11.914 -0.661 -14.683 1.00 14.03 C ATOM 169 CD ARG A 10 10.827 -0.298 -15.682 1.00 55.41 C ATOM 170 NE ARG A 10 11.343 -0.214 -17.046 1.00 15.03 N ATOM 171 CZ ARG A 10 10.684 0.359 -18.047 1.00 33.21 C ATOM 172 NH1 ARG A 10 9.490 0.896 -17.838 1.00 34.21 N ATOM 173 NH2 ARG A 10 11.219 0.396 -19.260 1.00 65.53 N ATOM 0 H ARG A 10 12.889 0.387 -11.298 1.00 73.23 H new ATOM 0 HA ARG A 10 14.225 -0.136 -13.815 1.00 20.23 H new ATOM 0 HB2 ARG A 10 11.536 0.324 -12.822 1.00 62.01 H new ATOM 0 HB3 ARG A 10 11.863 1.412 -14.156 1.00 62.01 H new ATOM 0 HG2 ARG A 10 12.836 -0.894 -15.216 1.00 14.03 H new ATOM 0 HG3 ARG A 10 11.624 -1.560 -14.139 1.00 14.03 H new ATOM 0 HD2 ARG A 10 10.033 -1.043 -15.640 1.00 55.41 H new ATOM 0 HD3 ARG A 10 10.383 0.657 -15.403 1.00 55.41 H new ATOM 0 HE ARG A 10 12.259 -0.617 -17.240 1.00 15.03 H new ATOM 0 HH11 ARG A 10 9.075 0.870 -16.907 1.00 34.21 H new ATOM 0 HH12 ARG A 10 8.986 1.335 -18.609 1.00 34.21 H new ATOM 0 HH21 ARG A 10 12.137 -0.016 -19.425 1.00 65.53 H new ATOM 0 HH22 ARG A 10 10.712 0.836 -20.028 1.00 65.53 H new ATOM 187 N SER A 11 13.999 2.874 -12.561 1.00 3.11 N ATOM 188 CA SER A 11 14.455 4.251 -12.707 1.00 45.40 C ATOM 189 C SER A 11 15.974 4.336 -12.592 1.00 65.30 C ATOM 190 O SER A 11 16.583 5.333 -12.980 1.00 73.42 O ATOM 191 CB SER A 11 13.802 5.142 -11.649 1.00 3.25 C ATOM 192 OG SER A 11 13.918 6.512 -11.993 1.00 22.03 O ATOM 0 H SER A 11 13.563 2.667 -11.662 1.00 3.11 H new ATOM 0 HA SER A 11 14.163 4.601 -13.697 1.00 45.40 H new ATOM 0 HB2 SER A 11 12.750 4.878 -11.546 1.00 3.25 H new ATOM 0 HB3 SER A 11 14.271 4.966 -10.681 1.00 3.25 H new ATOM 0 HG SER A 11 13.491 7.060 -11.302 1.00 22.03 H new ATOM 198 N MET A 12 16.580 3.281 -12.056 1.00 3.43 N ATOM 199 CA MET A 12 18.028 3.235 -11.890 1.00 65.02 C ATOM 200 C MET A 12 18.722 3.018 -13.231 1.00 42.33 C ATOM 201 O MET A 12 19.888 3.375 -13.403 1.00 51.22 O ATOM 202 CB MET A 12 18.416 2.121 -10.916 1.00 65.11 C ATOM 203 CG MET A 12 18.077 2.434 -9.468 1.00 11.20 C ATOM 204 SD MET A 12 18.336 1.025 -8.373 1.00 53.03 S ATOM 205 CE MET A 12 18.845 1.854 -6.869 1.00 61.33 C ATOM 0 H MET A 12 16.091 2.447 -11.730 1.00 3.43 H new ATOM 0 HA MET A 12 18.353 4.193 -11.483 1.00 65.02 H new ATOM 0 HB2 MET A 12 17.909 1.201 -11.208 1.00 65.11 H new ATOM 0 HB3 MET A 12 19.487 1.935 -10.998 1.00 65.11 H new ATOM 0 HG2 MET A 12 18.688 3.270 -9.128 1.00 11.20 H new ATOM 0 HG3 MET A 12 17.037 2.753 -9.403 1.00 11.20 H new ATOM 0 HE1 MET A 12 19.042 1.113 -6.094 1.00 61.33 H new ATOM 0 HE2 MET A 12 19.751 2.430 -7.060 1.00 61.33 H new ATOM 0 HE3 MET A 12 18.052 2.524 -6.537 1.00 61.33 H new ATOM 215 N PHE A 13 17.999 2.431 -14.179 1.00 14.13 N ATOM 216 CA PHE A 13 18.546 2.166 -15.504 1.00 75.32 C ATOM 217 C PHE A 13 18.605 3.445 -16.334 1.00 75.23 C ATOM 218 O PHE A 13 17.950 4.442 -16.031 1.00 53.42 O ATOM 219 CB PHE A 13 17.701 1.114 -16.227 1.00 12.15 C ATOM 220 CG PHE A 13 18.126 -0.297 -15.939 1.00 31.45 C ATOM 221 CD1 PHE A 13 19.437 -0.696 -16.144 1.00 1.51 C ATOM 222 CD2 PHE A 13 17.215 -1.226 -15.462 1.00 55.10 C ATOM 223 CE1 PHE A 13 19.831 -1.994 -15.880 1.00 55.14 C ATOM 224 CE2 PHE A 13 17.602 -2.526 -15.196 1.00 43.33 C ATOM 225 CZ PHE A 13 18.912 -2.910 -15.405 1.00 4.21 C ATOM 0 H PHE A 13 17.033 2.130 -14.054 1.00 14.13 H new ATOM 0 HA PHE A 13 19.560 1.786 -15.381 1.00 75.32 H new ATOM 0 HB2 PHE A 13 16.657 1.237 -15.938 1.00 12.15 H new ATOM 0 HB3 PHE A 13 17.757 1.290 -17.301 1.00 12.15 H new ATOM 0 HD1 PHE A 13 20.160 0.016 -16.515 1.00 1.51 H new ATOM 0 HD2 PHE A 13 16.190 -0.930 -15.296 1.00 55.10 H new ATOM 0 HE1 PHE A 13 20.856 -2.292 -16.045 1.00 55.14 H new ATOM 0 HE2 PHE A 13 16.881 -3.240 -14.825 1.00 43.33 H new ATOM 0 HZ PHE A 13 19.218 -3.925 -15.197 1.00 4.21 H new ATOM 235 N PRO A 14 19.409 3.417 -17.407 1.00 72.53 N ATOM 236 CA PRO A 14 19.573 4.565 -18.304 1.00 24.34 C ATOM 237 C PRO A 14 18.407 4.714 -19.274 1.00 51.52 C ATOM 238 O PRO A 14 18.184 5.790 -19.831 1.00 23.51 O ATOM 239 CB PRO A 14 20.862 4.240 -19.063 1.00 4.22 C ATOM 240 CG PRO A 14 20.955 2.754 -19.034 1.00 72.51 C ATOM 241 CD PRO A 14 20.219 2.261 -17.829 1.00 11.24 C ATOM 0 HA PRO A 14 19.610 5.507 -17.758 1.00 24.34 H new ATOM 0 HB2 PRO A 14 20.824 4.614 -20.086 1.00 4.22 H new ATOM 0 HB3 PRO A 14 21.728 4.700 -18.587 1.00 4.22 H new ATOM 0 HG2 PRO A 14 20.526 2.329 -19.941 1.00 72.51 H new ATOM 0 HG3 PRO A 14 21.998 2.439 -18.997 1.00 72.51 H new ATOM 0 HD2 PRO A 14 19.593 1.401 -18.068 1.00 11.24 H new ATOM 0 HD3 PRO A 14 20.906 1.947 -17.043 1.00 11.24 H new ATOM 249 N SER A 15 17.665 3.630 -19.472 1.00 73.31 N ATOM 250 CA SER A 15 16.522 3.640 -20.378 1.00 64.15 C ATOM 251 C SER A 15 15.378 4.466 -19.800 1.00 54.33 C ATOM 252 O SER A 15 14.621 5.100 -20.536 1.00 62.44 O ATOM 253 CB SER A 15 16.048 2.211 -20.651 1.00 41.22 C ATOM 254 OG SER A 15 14.649 2.093 -20.461 1.00 12.31 O ATOM 0 H SER A 15 17.835 2.733 -19.017 1.00 73.31 H new ATOM 0 HA SER A 15 16.838 4.096 -21.316 1.00 64.15 H new ATOM 0 HB2 SER A 15 16.305 1.928 -21.672 1.00 41.22 H new ATOM 0 HB3 SER A 15 16.568 1.519 -19.988 1.00 41.22 H new ATOM 0 HG SER A 15 14.371 1.171 -20.643 1.00 12.31 H new ATOM 260 N SER A 16 15.257 4.454 -18.477 1.00 3.54 N ATOM 261 CA SER A 16 14.203 5.199 -17.798 1.00 40.23 C ATOM 262 C SER A 16 14.496 6.696 -17.818 1.00 42.33 C ATOM 263 O SER A 16 13.586 7.519 -17.719 1.00 24.45 O ATOM 264 CB SER A 16 14.056 4.716 -16.354 1.00 64.01 C ATOM 265 OG SER A 16 12.794 4.108 -16.146 1.00 34.25 O ATOM 0 H SER A 16 15.876 3.936 -17.853 1.00 3.54 H new ATOM 0 HA SER A 16 13.268 5.022 -18.329 1.00 40.23 H new ATOM 0 HB2 SER A 16 14.849 4.004 -16.123 1.00 64.01 H new ATOM 0 HB3 SER A 16 14.175 5.558 -15.672 1.00 64.01 H new ATOM 0 HG SER A 16 12.905 3.305 -15.595 1.00 34.25 H new ATOM 271 N GLU A 17 15.774 7.041 -17.948 1.00 14.11 N ATOM 272 CA GLU A 17 16.187 8.439 -17.980 1.00 63.01 C ATOM 273 C GLU A 17 15.888 9.064 -19.340 1.00 21.31 C ATOM 274 O GLU A 17 16.013 10.275 -19.518 1.00 72.21 O ATOM 275 CB GLU A 17 17.681 8.559 -17.669 1.00 15.32 C ATOM 276 CG GLU A 17 18.019 8.316 -16.208 1.00 22.13 C ATOM 277 CD GLU A 17 17.705 9.511 -15.329 1.00 43.31 C ATOM 278 OE1 GLU A 17 16.779 10.275 -15.674 1.00 22.44 O ATOM 279 OE2 GLU A 17 18.386 9.683 -14.296 1.00 64.24 O ATOM 0 H GLU A 17 16.540 6.372 -18.033 1.00 14.11 H new ATOM 0 HA GLU A 17 15.620 8.976 -17.220 1.00 63.01 H new ATOM 0 HB2 GLU A 17 18.230 7.846 -18.284 1.00 15.32 H new ATOM 0 HB3 GLU A 17 18.024 9.554 -17.952 1.00 15.32 H new ATOM 0 HG2 GLU A 17 17.462 7.450 -15.850 1.00 22.13 H new ATOM 0 HG3 GLU A 17 19.078 8.073 -16.120 1.00 22.13 H new TER 286 GLU A 17