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 47:sc= 0.79 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0684 USER MOD Single : A 9 THR OG1 : rot 105:sc= 0.83 USER MOD Single : A 10 GLN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 HIS : no HD1:sc= -0.781 K(o=-0.78,f=-0.065) USER MOD Single : A 19 SER OG : rot -81:sc= 0.987 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -7.777 -23.823 0.030 1.00 0.00 N ATOM 50 CA THR A 4 -6.495 -23.864 0.773 1.00 0.00 C ATOM 51 C THR A 4 -6.366 -22.583 1.585 1.00 0.00 C ATOM 52 O THR A 4 -6.394 -21.494 1.047 1.00 0.00 O ATOM 53 CB THR A 4 -5.416 -23.945 -0.310 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.989 -24.459 -1.504 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.285 -24.869 0.153 1.00 0.00 C ATOM 0 HA THR A 4 -6.418 -24.702 1.466 1.00 0.00 H new ATOM 0 HB THR A 4 -5.012 -22.950 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.835 -23.999 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.520 -24.923 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.846 -24.476 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.683 -25.866 0.340 1.00 0.00 H new ATOM 63 N ALA A 5 -6.231 -22.705 2.879 1.00 0.00 N ATOM 64 CA ALA A 5 -6.100 -21.495 3.742 1.00 0.00 C ATOM 65 C ALA A 5 -5.221 -20.458 3.047 1.00 0.00 C ATOM 66 O ALA A 5 -5.336 -19.269 3.275 1.00 0.00 O ATOM 67 CB ALA A 5 -5.435 -21.995 5.025 1.00 0.00 C ATOM 0 H ALA A 5 -6.206 -23.595 3.377 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.059 -21.018 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.303 -21.162 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.065 -22.754 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.463 -22.426 4.787 1.00 0.00 H new ATOM 73 N THR A 6 -4.352 -20.905 2.185 1.00 0.00 N ATOM 74 CA THR A 6 -3.470 -19.961 1.447 1.00 0.00 C ATOM 75 C THR A 6 -4.253 -19.320 0.301 1.00 0.00 C ATOM 76 O THR A 6 -4.187 -18.128 0.089 1.00 0.00 O ATOM 77 CB THR A 6 -2.323 -20.815 0.899 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.432 -19.991 0.161 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.886 -21.905 -0.014 1.00 0.00 C ATOM 0 H THR A 6 -4.214 -21.890 1.959 1.00 0.00 H new ATOM 0 HA THR A 6 -3.100 -19.157 2.083 1.00 0.00 H new ATOM 0 HB THR A 6 -1.788 -21.279 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.697 -20.536 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.068 -22.512 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.569 -22.537 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.422 -21.444 -0.843 1.00 0.00 H new ATOM 87 N CYS A 7 -5.001 -20.104 -0.433 1.00 0.00 N ATOM 88 CA CYS A 7 -5.794 -19.533 -1.559 1.00 0.00 C ATOM 89 C CYS A 7 -6.790 -18.520 -1.007 1.00 0.00 C ATOM 90 O CYS A 7 -6.909 -17.415 -1.500 1.00 0.00 O ATOM 91 CB CYS A 7 -6.517 -20.726 -2.187 1.00 0.00 C ATOM 92 SG CYS A 7 -7.456 -20.182 -3.641 1.00 0.00 S ATOM 0 H CYS A 7 -5.096 -21.111 -0.301 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.177 -19.016 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.795 -21.490 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.189 -21.180 -1.458 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.066 -21.201 -4.170 1.00 0.00 H new ATOM 97 N ALA A 8 -7.489 -18.881 0.030 1.00 0.00 N ATOM 98 CA ALA A 8 -8.457 -17.926 0.633 1.00 0.00 C ATOM 99 C ALA A 8 -7.712 -16.653 1.023 1.00 0.00 C ATOM 100 O ALA A 8 -8.118 -15.558 0.690 1.00 0.00 O ATOM 101 CB ALA A 8 -9.007 -18.639 1.867 1.00 0.00 C ATOM 0 H ALA A 8 -7.433 -19.792 0.485 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.261 -17.643 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.730 -17.995 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.494 -19.566 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.189 -18.866 2.551 1.00 0.00 H new ATOM 107 N THR A 9 -6.607 -16.791 1.706 1.00 0.00 N ATOM 108 CA THR A 9 -5.824 -15.586 2.088 1.00 0.00 C ATOM 109 C THR A 9 -5.339 -14.896 0.814 1.00 0.00 C ATOM 110 O THR A 9 -5.389 -13.689 0.689 1.00 0.00 O ATOM 111 CB THR A 9 -4.638 -16.107 2.903 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.105 -17.010 3.895 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.926 -14.930 3.573 1.00 0.00 C ATOM 0 H THR A 9 -6.216 -17.682 2.013 1.00 0.00 H new ATOM 0 HA THR A 9 -6.407 -14.866 2.663 1.00 0.00 H new ATOM 0 HB THR A 9 -3.941 -16.624 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.893 -17.929 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.081 -15.299 4.154 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.568 -14.239 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.622 -14.412 4.233 1.00 0.00 H new ATOM 121 N GLN A 10 -4.879 -15.662 -0.139 1.00 0.00 N ATOM 122 CA GLN A 10 -4.403 -15.060 -1.412 1.00 0.00 C ATOM 123 C GLN A 10 -5.585 -14.423 -2.161 1.00 0.00 C ATOM 124 O GLN A 10 -5.415 -13.541 -2.981 1.00 0.00 O ATOM 125 CB GLN A 10 -3.787 -16.237 -2.196 1.00 0.00 C ATOM 126 CG GLN A 10 -4.280 -16.257 -3.650 1.00 0.00 C ATOM 127 CD GLN A 10 -3.614 -17.415 -4.398 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.551 -17.409 -5.611 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.114 -18.416 -3.724 1.00 0.00 N ATOM 0 H GLN A 10 -4.813 -16.679 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.674 -14.263 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.700 -16.159 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.046 -17.177 -1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.364 -16.368 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.045 -15.311 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.166 -18.422 -2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.671 -19.192 -4.216 1.00 0.00 H new ATOM 138 N ARG A 11 -6.786 -14.833 -1.854 1.00 0.00 N ATOM 139 CA ARG A 11 -7.966 -14.227 -2.525 1.00 0.00 C ATOM 140 C ARG A 11 -8.377 -13.054 -1.675 1.00 0.00 C ATOM 141 O ARG A 11 -8.530 -11.939 -2.132 1.00 0.00 O ATOM 142 CB ARG A 11 -9.038 -15.320 -2.527 1.00 0.00 C ATOM 143 CG ARG A 11 -9.982 -15.116 -3.716 1.00 0.00 C ATOM 144 CD ARG A 11 -9.405 -15.809 -4.954 1.00 0.00 C ATOM 145 NE ARG A 11 -9.932 -17.200 -4.900 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.791 -17.992 -5.929 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.632 -18.540 -6.176 1.00 0.00 N ATOM 148 NH2 ARG A 11 -10.808 -18.240 -6.710 1.00 0.00 N ATOM 0 H ARG A 11 -6.998 -15.559 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.786 -13.883 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.569 -16.302 -2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.601 -15.292 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.967 -15.522 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.114 -14.052 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.716 -15.305 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.315 -15.799 -4.939 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.403 -17.535 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.837 -18.350 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.521 -19.159 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.715 -17.815 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.695 -18.859 -7.513 1.00 0.00 H new ATOM 162 N LEU A 12 -8.484 -13.309 -0.413 1.00 0.00 N ATOM 163 CA LEU A 12 -8.807 -12.238 0.542 1.00 0.00 C ATOM 164 C LEU A 12 -7.735 -11.154 0.448 1.00 0.00 C ATOM 165 O LEU A 12 -7.999 -9.982 0.628 1.00 0.00 O ATOM 166 CB LEU A 12 -8.753 -12.946 1.887 1.00 0.00 C ATOM 167 CG LEU A 12 -10.149 -13.440 2.268 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.067 -14.892 2.736 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.702 -12.569 3.398 1.00 0.00 C ATOM 0 H LEU A 12 -8.359 -14.232 0.003 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.767 -11.752 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.060 -13.786 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.376 -12.266 2.651 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.808 -13.377 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.062 -15.244 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.670 -15.512 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.410 -14.958 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.697 -12.918 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.043 -12.634 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.760 -11.533 3.064 1.00 0.00 H new ATOM 181 N ALA A 13 -6.528 -11.543 0.145 1.00 0.00 N ATOM 182 CA ALA A 13 -5.433 -10.543 0.013 1.00 0.00 C ATOM 183 C ALA A 13 -5.625 -9.764 -1.287 1.00 0.00 C ATOM 184 O ALA A 13 -5.236 -8.619 -1.411 1.00 0.00 O ATOM 185 CB ALA A 13 -4.145 -11.359 -0.037 1.00 0.00 C ATOM 0 H ALA A 13 -6.253 -12.512 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.416 -9.825 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.292 -10.687 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.047 -11.940 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.175 -12.034 -0.893 1.00 0.00 H new ATOM 191 N ASN A 14 -6.239 -10.388 -2.252 1.00 0.00 N ATOM 192 CA ASN A 14 -6.483 -9.709 -3.551 1.00 0.00 C ATOM 193 C ASN A 14 -7.345 -8.470 -3.333 1.00 0.00 C ATOM 194 O ASN A 14 -7.092 -7.422 -3.890 1.00 0.00 O ATOM 195 CB ASN A 14 -7.238 -10.737 -4.392 1.00 0.00 C ATOM 196 CG ASN A 14 -7.034 -10.434 -5.878 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.508 -9.433 -6.376 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.345 -11.263 -6.610 1.00 0.00 N ATOM 0 H ASN A 14 -6.584 -11.346 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.561 -9.382 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.882 -11.741 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.300 -10.712 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.204 -11.071 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.947 -12.104 -6.191 1.00 0.00 H new ATOM 205 N PHE A 15 -8.363 -8.581 -2.524 1.00 0.00 N ATOM 206 CA PHE A 15 -9.237 -7.401 -2.274 1.00 0.00 C ATOM 207 C PHE A 15 -8.668 -6.594 -1.113 1.00 0.00 C ATOM 208 O PHE A 15 -9.019 -5.448 -0.909 1.00 0.00 O ATOM 209 CB PHE A 15 -10.617 -7.959 -1.890 1.00 0.00 C ATOM 210 CG PHE A 15 -10.845 -9.304 -2.538 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.533 -9.494 -3.888 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.360 -10.360 -1.781 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.737 -10.744 -4.481 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.564 -11.610 -2.372 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.253 -11.803 -3.723 1.00 0.00 C ATOM 0 H PHE A 15 -8.626 -9.433 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.302 -6.753 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.688 -8.054 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.396 -7.263 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.135 -8.677 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.600 -10.210 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.497 -10.893 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.961 -12.426 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.411 -12.768 -4.181 1.00 0.00 H new ATOM 225 N LEU A 16 -7.789 -7.183 -0.348 1.00 0.00 N ATOM 226 CA LEU A 16 -7.204 -6.437 0.804 1.00 0.00 C ATOM 227 C LEU A 16 -6.267 -5.343 0.291 1.00 0.00 C ATOM 228 O LEU A 16 -6.357 -4.199 0.689 1.00 0.00 O ATOM 229 CB LEU A 16 -6.430 -7.483 1.599 1.00 0.00 C ATOM 230 CG LEU A 16 -7.148 -7.755 2.921 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.482 -8.933 3.632 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.068 -6.511 3.809 1.00 0.00 C ATOM 0 H LEU A 16 -7.453 -8.139 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.962 -5.947 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.346 -8.404 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.416 -7.133 1.790 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.193 -7.995 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.995 -9.126 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.539 -9.819 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.437 -8.695 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.580 -6.704 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.023 -6.271 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.544 -5.671 3.303 1.00 0.00 H new ATOM 244 N VAL A 17 -5.377 -5.685 -0.596 1.00 0.00 N ATOM 245 CA VAL A 17 -4.441 -4.664 -1.142 1.00 0.00 C ATOM 246 C VAL A 17 -5.168 -3.787 -2.168 1.00 0.00 C ATOM 247 O VAL A 17 -4.927 -2.600 -2.269 1.00 0.00 O ATOM 248 CB VAL A 17 -3.332 -5.471 -1.819 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.515 -4.556 -2.734 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.416 -6.074 -0.752 1.00 0.00 C ATOM 0 H VAL A 17 -5.257 -6.627 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.050 -4.000 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.777 -6.270 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.726 -5.133 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.166 -4.127 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.070 -3.755 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.625 -6.649 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.973 -5.274 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.996 -6.729 -0.102 1.00 0.00 H new ATOM 260 N HIS A 18 -6.053 -4.370 -2.931 1.00 0.00 N ATOM 261 CA HIS A 18 -6.797 -3.584 -3.960 1.00 0.00 C ATOM 262 C HIS A 18 -7.921 -2.761 -3.325 1.00 0.00 C ATOM 263 O HIS A 18 -8.010 -1.564 -3.508 1.00 0.00 O ATOM 264 CB HIS A 18 -7.403 -4.632 -4.892 1.00 0.00 C ATOM 265 CG HIS A 18 -6.384 -5.060 -5.910 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.676 -4.142 -6.695 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.940 -6.305 -6.290 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.851 -4.845 -7.501 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.989 -6.144 -7.278 1.00 0.00 N ATOM 0 H HIS A 18 -6.294 -5.360 -2.887 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.139 -2.883 -4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.738 -5.494 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.280 -4.223 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.278 -7.248 -5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.176 -4.411 -8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.483 -6.892 -7.752 1.00 0.00 H new ATOM 277 N SER A 19 -8.803 -3.404 -2.612 1.00 0.00 N ATOM 278 CA SER A 19 -9.948 -2.663 -2.003 1.00 0.00 C ATOM 279 C SER A 19 -9.528 -1.849 -0.773 1.00 0.00 C ATOM 280 O SER A 19 -10.044 -0.776 -0.530 1.00 0.00 O ATOM 281 CB SER A 19 -10.949 -3.747 -1.605 1.00 0.00 C ATOM 282 OG SER A 19 -10.843 -3.993 -0.209 1.00 0.00 O ATOM 0 H SER A 19 -8.783 -4.406 -2.424 1.00 0.00 H new ATOM 0 HA SER A 19 -10.361 -1.939 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.962 -3.432 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.753 -4.662 -2.163 1.00 0.00 H new ATOM 0 HG SER A 19 -10.084 -4.589 -0.039 1.00 0.00 H new ATOM 288 N SER A 20 -8.630 -2.350 0.022 1.00 0.00 N ATOM 289 CA SER A 20 -8.226 -1.591 1.244 1.00 0.00 C ATOM 290 C SER A 20 -7.016 -0.683 0.996 1.00 0.00 C ATOM 291 O SER A 20 -6.948 0.421 1.498 1.00 0.00 O ATOM 292 CB SER A 20 -7.883 -2.660 2.280 1.00 0.00 C ATOM 293 OG SER A 20 -8.243 -2.193 3.573 1.00 0.00 O ATOM 0 H SER A 20 -8.159 -3.244 -0.115 1.00 0.00 H new ATOM 0 HA SER A 20 -9.027 -0.928 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.413 -3.585 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.817 -2.887 2.246 1.00 0.00 H new ATOM 0 HG SER A 20 -8.026 -2.877 4.240 1.00 0.00 H new