USER MOD reduce.3.24.130724 H: found=0, std=0, add=125, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 124 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 4 THR OG1 : rot 20:sc= 0.707 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 156:sc= -0.522! USER MOD Single : A 10 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 19 SER OG : rot -83:sc= 0.693 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -7.690 -23.266 1.400 1.00 0.00 N ATOM 50 CA THR A 4 -8.348 -22.173 2.160 1.00 2.50 C ATOM 51 C THR A 4 -7.316 -21.165 2.625 1.00 0.00 C ATOM 52 O THR A 4 -7.091 -20.169 1.972 1.00 0.00 O ATOM 53 CB THR A 4 -9.076 -22.845 3.333 1.00 0.00 C ATOM 54 OG1 THR A 4 -9.635 -24.074 2.895 1.00 0.00 O ATOM 55 CG2 THR A 4 -10.191 -21.928 3.840 1.00 0.00 C ATOM 0 HA THR A 4 -9.059 -21.617 1.549 1.00 2.50 H new ATOM 0 HB THR A 4 -8.369 -23.032 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.185 -24.364 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.706 -22.407 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.762 -20.984 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.901 -21.739 3.035 1.00 0.00 H new ATOM 63 N ALA A 5 -6.645 -21.413 3.706 1.00 0.00 N ATOM 64 CA ALA A 5 -5.607 -20.446 4.135 1.00 2.90 C ATOM 65 C ALA A 5 -4.755 -20.077 2.922 1.00 0.00 C ATOM 66 O ALA A 5 -4.109 -19.052 2.887 1.00 0.00 O ATOM 67 CB ALA A 5 -4.771 -21.196 5.171 1.00 0.00 C ATOM 0 H ALA A 5 -6.766 -22.230 4.304 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.020 -19.526 4.549 1.00 2.90 H new ATOM 0 HB1 ALA A 5 -3.978 -20.545 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.408 -21.498 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.331 -22.081 4.712 1.00 0.00 H new ATOM 73 N THR A 6 -4.775 -20.905 1.907 1.00 0.00 N ATOM 74 CA THR A 6 -3.974 -20.602 0.691 1.00 3.40 C ATOM 75 C THR A 6 -4.808 -19.805 -0.308 1.00 0.00 C ATOM 76 O THR A 6 -4.736 -18.594 -0.366 1.00 0.00 O ATOM 77 CB THR A 6 -3.604 -21.969 0.115 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.654 -22.597 0.965 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.006 -21.793 -1.281 1.00 0.00 C ATOM 0 H THR A 6 -5.310 -21.773 1.872 1.00 0.00 H new ATOM 0 HA THR A 6 -3.093 -20.000 0.914 1.00 3.40 H new ATOM 0 HB THR A 6 -4.498 -22.589 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.417 -23.474 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.743 -22.769 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.736 -21.312 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.112 -21.173 -1.218 1.00 0.00 H new ATOM 87 N CYS A 7 -5.600 -20.475 -1.097 1.00 0.00 N ATOM 88 CA CYS A 7 -6.434 -19.750 -2.094 1.00 2.00 C ATOM 89 C CYS A 7 -7.376 -18.781 -1.381 1.00 0.00 C ATOM 90 O CYS A 7 -7.769 -17.773 -1.933 1.00 0.00 O ATOM 91 CB CYS A 7 -7.226 -20.830 -2.827 1.00 0.00 C ATOM 92 SG CYS A 7 -6.361 -21.286 -4.355 1.00 0.00 S ATOM 0 H CYS A 7 -5.706 -21.490 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.830 -19.161 -2.784 1.00 2.00 H new ATOM 0 HB2 CYS A 7 -7.344 -21.706 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.227 -20.467 -3.058 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.035 -22.207 -4.977 1.00 0.00 H new ATOM 97 N ALA A 8 -7.738 -19.063 -0.158 1.00 0.00 N ATOM 98 CA ALA A 8 -8.647 -18.126 0.555 1.00 1.40 C ATOM 99 C ALA A 8 -7.854 -16.913 1.043 1.00 0.00 C ATOM 100 O ALA A 8 -8.255 -15.787 0.837 1.00 0.00 O ATOM 101 CB ALA A 8 -9.247 -18.895 1.732 1.00 0.00 C ATOM 0 H ALA A 8 -7.449 -19.887 0.369 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.438 -17.761 -0.100 1.00 1.40 H new ATOM 0 HB1 ALA A 8 -9.923 -18.243 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.799 -19.758 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.448 -19.233 2.392 1.00 0.00 H new ATOM 107 N THR A 9 -6.720 -17.118 1.672 1.00 0.00 N ATOM 108 CA THR A 9 -5.936 -15.941 2.128 1.00 1.60 C ATOM 109 C THR A 9 -5.423 -15.184 0.904 1.00 0.00 C ATOM 110 O THR A 9 -5.139 -14.004 0.963 1.00 0.00 O ATOM 111 CB THR A 9 -4.778 -16.510 2.948 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.295 -17.377 3.948 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.016 -15.363 3.612 1.00 0.00 C ATOM 0 H THR A 9 -6.316 -18.030 1.883 1.00 0.00 H new ATOM 0 HA THR A 9 -6.525 -15.244 2.724 1.00 1.60 H new ATOM 0 HB THR A 9 -4.103 -17.065 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.602 -18.016 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.190 -15.766 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.625 -14.694 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.689 -14.810 4.267 1.00 0.00 H new ATOM 121 N GLN A 10 -5.320 -15.854 -0.215 1.00 0.00 N ATOM 122 CA GLN A 10 -4.850 -15.177 -1.446 1.00 1.60 C ATOM 123 C GLN A 10 -6.041 -14.527 -2.150 1.00 0.00 C ATOM 124 O GLN A 10 -5.892 -13.642 -2.971 1.00 0.00 O ATOM 125 CB GLN A 10 -4.239 -16.282 -2.310 1.00 0.00 C ATOM 126 CG GLN A 10 -2.789 -16.526 -1.883 1.00 0.00 C ATOM 127 CD GLN A 10 -1.964 -15.260 -2.125 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.334 -15.119 -3.155 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.943 -14.327 -1.214 1.00 0.00 N ATOM 0 H GLN A 10 -5.543 -16.843 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.123 -14.391 -1.243 1.00 1.60 H new ATOM 0 HB2 GLN A 10 -4.818 -17.200 -2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.276 -15.998 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.751 -16.801 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.369 -17.360 -2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.472 -14.446 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.398 -13.478 -1.366 1.00 0.00 H new ATOM 138 N ARG A 11 -7.230 -14.932 -1.794 1.00 0.00 N ATOM 139 CA ARG A 11 -8.440 -14.320 -2.402 1.00 1.30 C ATOM 140 C ARG A 11 -8.822 -13.170 -1.503 1.00 0.00 C ATOM 141 O ARG A 11 -9.100 -12.068 -1.929 1.00 0.00 O ATOM 142 CB ARG A 11 -9.512 -15.413 -2.374 1.00 0.00 C ATOM 143 CG ARG A 11 -9.759 -15.928 -3.792 1.00 0.00 C ATOM 144 CD ARG A 11 -8.424 -16.295 -4.443 1.00 0.00 C ATOM 145 NE ARG A 11 -8.716 -17.508 -5.253 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.411 -17.534 -6.522 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.274 -17.120 -7.409 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.243 -17.974 -6.903 1.00 0.00 N ATOM 0 H ARG A 11 -7.413 -15.663 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.302 -13.958 -3.421 1.00 1.30 H new ATOM 0 HB2 ARG A 11 -9.193 -16.232 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.437 -15.018 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.414 -16.799 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.267 -15.166 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.052 -15.483 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.660 -16.495 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.154 -18.319 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.187 -16.776 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.036 -17.140 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.569 -18.297 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.004 -17.994 -7.894 1.00 0.00 H new ATOM 162 N LEU A 12 -8.784 -13.442 -0.237 1.00 0.00 N ATOM 163 CA LEU A 12 -9.084 -12.410 0.770 1.00 2.10 C ATOM 164 C LEU A 12 -7.999 -11.332 0.724 1.00 0.00 C ATOM 165 O LEU A 12 -8.270 -10.154 0.853 1.00 0.00 O ATOM 166 CB LEU A 12 -9.048 -13.185 2.083 1.00 0.00 C ATOM 167 CG LEU A 12 -10.453 -13.684 2.431 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.382 -14.595 3.660 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.359 -12.490 2.737 1.00 0.00 C ATOM 0 H LEU A 12 -8.552 -14.358 0.147 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.035 -11.898 0.621 1.00 2.10 H new ATOM 0 HB2 LEU A 12 -8.363 -14.029 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.671 -12.547 2.882 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.858 -14.241 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.382 -14.950 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.737 -15.447 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.976 -14.037 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.359 -12.846 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.953 -11.932 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.411 -11.840 1.864 1.00 0.00 H new ATOM 181 N ALA A 13 -6.774 -11.730 0.514 1.00 0.00 N ATOM 182 CA ALA A 13 -5.672 -10.732 0.432 1.00 1.50 C ATOM 183 C ALA A 13 -5.809 -9.943 -0.870 1.00 0.00 C ATOM 184 O ALA A 13 -5.435 -8.790 -0.960 1.00 0.00 O ATOM 185 CB ALA A 13 -4.382 -11.552 0.432 1.00 0.00 C ATOM 0 H ALA A 13 -6.490 -12.702 0.396 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.687 -10.018 1.256 1.00 1.50 H new ATOM 0 HB1 ALA A 13 -3.525 -10.881 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.323 -12.137 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.377 -12.223 -0.427 1.00 0.00 H new ATOM 191 N ASN A 14 -6.365 -10.562 -1.876 1.00 0.00 N ATOM 192 CA ASN A 14 -6.559 -9.866 -3.174 1.00 2.60 C ATOM 193 C ASN A 14 -7.459 -8.659 -2.946 1.00 0.00 C ATOM 194 O ASN A 14 -7.180 -7.566 -3.397 1.00 0.00 O ATOM 195 CB ASN A 14 -7.250 -10.888 -4.078 1.00 0.00 C ATOM 196 CG ASN A 14 -6.854 -10.634 -5.533 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.481 -9.850 -6.218 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.834 -11.272 -6.038 1.00 0.00 N ATOM 0 H ASN A 14 -6.695 -11.527 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.627 -9.514 -3.616 1.00 2.60 H new ATOM 0 HB2 ASN A 14 -6.967 -11.899 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.332 -10.815 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.562 -11.113 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.308 -11.930 -5.463 1.00 0.00 H new ATOM 205 N PHE A 15 -8.524 -8.844 -2.216 1.00 0.00 N ATOM 206 CA PHE A 15 -9.421 -7.694 -1.929 1.00 2.10 C ATOM 207 C PHE A 15 -8.669 -6.729 -1.022 1.00 0.00 C ATOM 208 O PHE A 15 -8.986 -5.560 -0.931 1.00 0.00 O ATOM 209 CB PHE A 15 -10.642 -8.274 -1.205 1.00 0.00 C ATOM 210 CG PHE A 15 -11.024 -9.603 -1.813 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.120 -9.739 -3.203 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.283 -10.699 -0.982 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.472 -10.974 -3.762 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.635 -11.933 -1.540 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.731 -12.071 -2.930 1.00 0.00 C ATOM 0 H PHE A 15 -8.809 -9.735 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.730 -7.161 -2.828 1.00 2.10 H new ATOM 0 HB2 PHE A 15 -10.420 -8.401 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.479 -7.580 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.923 -8.892 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.211 -10.592 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.544 -11.081 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.833 -12.779 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.005 -13.023 -3.361 1.00 0.00 H new ATOM 225 N LEU A 16 -7.656 -7.217 -0.355 1.00 0.00 N ATOM 226 CA LEU A 16 -6.864 -6.331 0.539 1.00 2.30 C ATOM 227 C LEU A 16 -6.258 -5.194 -0.283 1.00 0.00 C ATOM 228 O LEU A 16 -6.326 -4.039 0.087 1.00 0.00 O ATOM 229 CB LEU A 16 -5.763 -7.220 1.115 1.00 0.00 C ATOM 230 CG LEU A 16 -5.535 -6.865 2.585 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.683 -7.421 3.429 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.214 -7.477 3.055 1.00 0.00 C ATOM 0 H LEU A 16 -7.346 -8.188 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.469 -5.882 1.327 1.00 2.30 H new ATOM 0 HB2 LEU A 16 -6.043 -8.269 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.840 -7.086 0.550 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.496 -5.781 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.520 -7.168 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.625 -6.987 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.723 -8.505 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.049 -7.226 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.255 -8.561 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.395 -7.082 2.454 1.00 0.00 H new ATOM 244 N VAL A 17 -5.668 -5.517 -1.402 1.00 0.00 N ATOM 245 CA VAL A 17 -5.057 -4.453 -2.255 1.00 6.20 C ATOM 246 C VAL A 17 -6.082 -3.920 -3.263 1.00 0.00 C ATOM 247 O VAL A 17 -6.218 -2.726 -3.458 1.00 0.00 O ATOM 248 CB VAL A 17 -3.903 -5.143 -2.984 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.125 -4.112 -3.803 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.967 -5.790 -1.960 1.00 0.00 C ATOM 0 H VAL A 17 -5.582 -6.467 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.719 -3.600 -1.666 1.00 6.20 H new ATOM 0 HB VAL A 17 -4.302 -5.909 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.303 -4.605 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.790 -3.650 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.727 -3.345 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.144 -6.282 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.570 -5.023 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.520 -6.526 -1.376 1.00 0.00 H new ATOM 260 N HIS A 18 -6.797 -4.799 -3.908 1.00 0.00 N ATOM 261 CA HIS A 18 -7.806 -4.359 -4.914 1.00 4.20 C ATOM 262 C HIS A 18 -8.920 -3.551 -4.247 1.00 0.00 C ATOM 263 O HIS A 18 -9.335 -2.522 -4.741 1.00 0.00 O ATOM 264 CB HIS A 18 -8.366 -5.657 -5.493 1.00 0.00 C ATOM 265 CG HIS A 18 -7.466 -6.140 -6.595 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.960 -6.796 -7.728 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.100 -6.074 -6.761 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.907 -7.094 -8.518 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.782 -6.673 -7.963 1.00 0.00 N ATOM 0 H HIS A 18 -6.726 -5.809 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.369 -3.716 -5.678 1.00 4.20 H new ATOM 0 HB2 HIS A 18 -8.442 -6.414 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.373 -5.493 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.399 -5.630 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.973 -7.604 -9.468 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.845 -6.773 -8.354 1.00 0.00 H new ATOM 277 N SER A 19 -9.415 -4.014 -3.136 1.00 0.00 N ATOM 278 CA SER A 19 -10.513 -3.272 -2.451 1.00 9.10 C ATOM 279 C SER A 19 -9.956 -2.071 -1.685 1.00 0.00 C ATOM 280 O SER A 19 -10.540 -1.006 -1.673 1.00 0.00 O ATOM 281 CB SER A 19 -11.135 -4.285 -1.490 1.00 0.00 C ATOM 282 OG SER A 19 -10.626 -4.066 -0.181 1.00 0.00 O ATOM 0 H SER A 19 -9.110 -4.870 -2.672 1.00 0.00 H new ATOM 0 HA SER A 19 -11.243 -2.877 -3.157 1.00 9.10 H new ATOM 0 HB2 SER A 19 -12.220 -4.186 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.907 -5.300 -1.816 1.00 0.00 H new ATOM 0 HG SER A 19 -9.759 -4.514 -0.088 1.00 0.00 H new ATOM 288 N SER A 20 -8.836 -2.234 -1.042 1.00 0.00 N ATOM 289 CA SER A 20 -8.248 -1.102 -0.272 1.00 10.00 C ATOM 290 C SER A 20 -8.264 0.181 -1.105 1.00 0.00 C ATOM 291 O SER A 20 -8.530 1.255 -0.603 1.00 0.00 O ATOM 292 CB SER A 20 -6.811 -1.524 0.028 1.00 0.00 C ATOM 293 OG SER A 20 -6.021 -0.368 0.271 1.00 0.00 O ATOM 0 H SER A 20 -8.301 -3.102 -1.015 1.00 0.00 H new ATOM 0 HA SER A 20 -8.811 -0.894 0.638 1.00 10.00 H new ATOM 0 HB2 SER A 20 -6.787 -2.183 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.403 -2.087 -0.811 1.00 0.00 H new ATOM 0 HG SER A 20 -5.099 -0.637 0.465 1.00 0.00 H new