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 Set 1.1: A 7 CYS SG : rot 180:sc= 0.185 USER MOD Set 1.2: A 10 GLN : amide:sc= -1.06 K(o=-0.87,f=0.12) USER MOD Single : A 4 THR OG1 : rot 27:sc= 0.794 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 81:sc= 0.821 USER MOD Single : A 14 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.013) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -67:sc= 0.803 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -8.489 -23.693 1.803 1.00 0.00 N ATOM 50 CA THR A 4 -7.101 -23.729 2.295 1.00 0.00 C ATOM 51 C THR A 4 -6.698 -22.306 2.640 1.00 0.00 C ATOM 52 O THR A 4 -6.466 -21.491 1.772 1.00 0.00 O ATOM 53 CB THR A 4 -6.259 -24.265 1.129 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.997 -25.248 0.417 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.973 -24.889 1.671 1.00 0.00 C ATOM 0 HA THR A 4 -6.970 -24.353 3.179 1.00 0.00 H new ATOM 0 HB THR A 4 -6.011 -23.443 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.956 -25.078 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.376 -25.269 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.403 -24.135 2.213 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.222 -25.709 2.345 1.00 0.00 H new ATOM 63 N ALA A 5 -6.644 -22.009 3.901 1.00 0.00 N ATOM 64 CA ALA A 5 -6.271 -20.635 4.358 1.00 0.00 C ATOM 65 C ALA A 5 -5.223 -20.012 3.427 1.00 0.00 C ATOM 66 O ALA A 5 -5.136 -18.810 3.304 1.00 0.00 O ATOM 67 CB ALA A 5 -5.693 -20.833 5.760 1.00 0.00 C ATOM 0 H ALA A 5 -6.845 -22.667 4.654 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.126 -19.959 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.393 -19.868 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.448 -21.282 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.825 -21.490 5.706 1.00 0.00 H new ATOM 73 N THR A 6 -4.439 -20.814 2.758 1.00 0.00 N ATOM 74 CA THR A 6 -3.422 -20.253 1.829 1.00 0.00 C ATOM 75 C THR A 6 -4.115 -19.732 0.568 1.00 0.00 C ATOM 76 O THR A 6 -3.779 -18.686 0.051 1.00 0.00 O ATOM 77 CB THR A 6 -2.488 -21.423 1.502 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.290 -20.923 0.926 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.174 -22.371 0.516 1.00 0.00 C ATOM 0 H THR A 6 -4.460 -21.832 2.816 1.00 0.00 H new ATOM 0 HA THR A 6 -2.871 -19.417 2.260 1.00 0.00 H new ATOM 0 HB THR A 6 -2.253 -21.966 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.691 -21.670 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.507 -23.202 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.092 -22.755 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.412 -21.832 -0.401 1.00 0.00 H new ATOM 87 N CYS A 7 -5.095 -20.446 0.078 1.00 0.00 N ATOM 88 CA CYS A 7 -5.814 -19.974 -1.137 1.00 0.00 C ATOM 89 C CYS A 7 -6.731 -18.815 -0.764 1.00 0.00 C ATOM 90 O CYS A 7 -6.595 -17.714 -1.260 1.00 0.00 O ATOM 91 CB CYS A 7 -6.632 -21.171 -1.626 1.00 0.00 C ATOM 92 SG CYS A 7 -7.284 -20.813 -3.284 1.00 0.00 S ATOM 0 H CYS A 7 -5.425 -21.330 0.465 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.132 -19.620 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.010 -22.065 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.451 -21.373 -0.936 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.978 -21.828 -3.706 1.00 0.00 H new ATOM 97 N ALA A 8 -7.653 -19.051 0.123 1.00 0.00 N ATOM 98 CA ALA A 8 -8.565 -17.956 0.542 1.00 0.00 C ATOM 99 C ALA A 8 -7.734 -16.731 0.906 1.00 0.00 C ATOM 100 O ALA A 8 -8.016 -15.637 0.471 1.00 0.00 O ATOM 101 CB ALA A 8 -9.312 -18.497 1.761 1.00 0.00 C ATOM 0 H ALA A 8 -7.814 -19.951 0.574 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.261 -17.657 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.006 -17.741 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.866 -19.393 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.597 -18.744 2.546 1.00 0.00 H new ATOM 107 N THR A 9 -6.696 -16.904 1.676 1.00 0.00 N ATOM 108 CA THR A 9 -5.844 -15.737 2.030 1.00 0.00 C ATOM 109 C THR A 9 -5.327 -15.087 0.750 1.00 0.00 C ATOM 110 O THR A 9 -5.319 -13.881 0.613 1.00 0.00 O ATOM 111 CB THR A 9 -4.677 -16.304 2.838 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.127 -16.650 4.139 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.571 -15.252 2.940 1.00 0.00 C ATOM 0 H THR A 9 -6.403 -17.797 2.073 1.00 0.00 H new ATOM 0 HA THR A 9 -6.391 -14.983 2.596 1.00 0.00 H new ATOM 0 HB THR A 9 -4.287 -17.193 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.563 -17.527 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.738 -15.655 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.227 -14.988 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.959 -14.363 3.437 1.00 0.00 H new ATOM 121 N GLN A 10 -4.890 -15.880 -0.191 1.00 0.00 N ATOM 122 CA GLN A 10 -4.372 -15.299 -1.456 1.00 0.00 C ATOM 123 C GLN A 10 -5.497 -14.562 -2.209 1.00 0.00 C ATOM 124 O GLN A 10 -5.258 -13.624 -2.953 1.00 0.00 O ATOM 125 CB GLN A 10 -3.822 -16.507 -2.242 1.00 0.00 C ATOM 126 CG GLN A 10 -4.570 -16.704 -3.565 1.00 0.00 C ATOM 127 CD GLN A 10 -3.951 -17.879 -4.321 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.967 -17.719 -5.017 1.00 0.00 O ATOM 129 NE2 GLN A 10 -4.489 -19.061 -4.215 1.00 0.00 N ATOM 0 H GLN A 10 -4.870 -16.898 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.596 -14.550 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.761 -16.360 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.910 -17.408 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.626 -16.894 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.513 -15.797 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.314 -19.195 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.085 -19.852 -4.716 1.00 0.00 H new ATOM 138 N ARG A 11 -6.726 -14.941 -1.985 1.00 0.00 N ATOM 139 CA ARG A 11 -7.850 -14.238 -2.661 1.00 0.00 C ATOM 140 C ARG A 11 -8.238 -13.096 -1.755 1.00 0.00 C ATOM 141 O ARG A 11 -8.432 -11.969 -2.166 1.00 0.00 O ATOM 142 CB ARG A 11 -8.975 -15.272 -2.767 1.00 0.00 C ATOM 143 CG ARG A 11 -9.724 -15.083 -4.089 1.00 0.00 C ATOM 144 CD ARG A 11 -10.093 -16.451 -4.668 1.00 0.00 C ATOM 145 NE ARG A 11 -9.013 -16.763 -5.647 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.765 -18.004 -5.972 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.620 -18.941 -5.669 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.660 -18.307 -6.599 1.00 0.00 N ATOM 0 H ARG A 11 -6.998 -15.704 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.613 -13.846 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.563 -16.280 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.663 -15.163 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.624 -14.490 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.103 -14.533 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.147 -17.208 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.069 -16.424 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.468 -16.008 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.483 -18.705 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.426 -19.910 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.990 -17.575 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.467 -19.276 -6.853 1.00 0.00 H new ATOM 162 N LEU A 12 -8.289 -13.397 -0.499 1.00 0.00 N ATOM 163 CA LEU A 12 -8.590 -12.369 0.511 1.00 0.00 C ATOM 164 C LEU A 12 -7.505 -11.294 0.461 1.00 0.00 C ATOM 165 O LEU A 12 -7.746 -10.133 0.725 1.00 0.00 O ATOM 166 CB LEU A 12 -8.544 -13.139 1.822 1.00 0.00 C ATOM 167 CG LEU A 12 -9.949 -13.625 2.178 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.836 -12.421 2.505 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.544 -14.380 0.986 1.00 0.00 C ATOM 0 H LEU A 12 -8.131 -14.332 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.544 -11.863 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.866 -13.988 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.156 -12.502 2.617 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.896 -14.287 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.838 -12.766 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.414 -11.877 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.888 -11.761 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.546 -14.727 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.597 -13.715 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.913 -15.236 0.746 1.00 0.00 H new ATOM 181 N ALA A 13 -6.309 -11.682 0.099 1.00 0.00 N ATOM 182 CA ALA A 13 -5.199 -10.696 0.003 1.00 0.00 C ATOM 183 C ALA A 13 -5.470 -9.743 -1.160 1.00 0.00 C ATOM 184 O ALA A 13 -5.212 -8.558 -1.089 1.00 0.00 O ATOM 185 CB ALA A 13 -3.946 -11.532 -0.267 1.00 0.00 C ATOM 0 H ALA A 13 -6.056 -12.642 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.091 -10.092 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.081 -10.874 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.791 -12.232 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.072 -12.086 -1.197 1.00 0.00 H new ATOM 191 N ASN A 14 -6.007 -10.263 -2.227 1.00 0.00 N ATOM 192 CA ASN A 14 -6.322 -9.410 -3.408 1.00 0.00 C ATOM 193 C ASN A 14 -7.285 -8.296 -2.992 1.00 0.00 C ATOM 194 O ASN A 14 -7.138 -7.153 -3.381 1.00 0.00 O ATOM 195 CB ASN A 14 -6.984 -10.358 -4.406 1.00 0.00 C ATOM 196 CG ASN A 14 -6.722 -9.865 -5.828 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.178 -10.582 -6.643 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.086 -8.657 -6.162 1.00 0.00 N ATOM 0 H ASN A 14 -6.243 -11.250 -2.333 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.441 -8.929 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.591 -11.367 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.057 -10.409 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.913 -8.315 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.543 -8.054 -5.478 1.00 0.00 H new ATOM 205 N PHE A 15 -8.255 -8.622 -2.180 1.00 0.00 N ATOM 206 CA PHE A 15 -9.216 -7.595 -1.703 1.00 0.00 C ATOM 207 C PHE A 15 -8.553 -6.824 -0.571 1.00 0.00 C ATOM 208 O PHE A 15 -8.910 -5.706 -0.263 1.00 0.00 O ATOM 209 CB PHE A 15 -10.432 -8.371 -1.174 1.00 0.00 C ATOM 210 CG PHE A 15 -10.666 -9.607 -2.010 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.484 -9.559 -3.395 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.058 -10.802 -1.396 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.696 -10.706 -4.169 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.271 -11.949 -2.168 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.089 -11.901 -3.556 1.00 0.00 C ATOM 0 H PHE A 15 -8.421 -9.564 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.512 -6.894 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.269 -8.652 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.317 -7.735 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.180 -8.637 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.196 -10.839 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.556 -10.669 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.575 -12.871 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.252 -12.786 -4.153 1.00 0.00 H new ATOM 225 N LEU A 16 -7.572 -7.421 0.050 1.00 0.00 N ATOM 226 CA LEU A 16 -6.871 -6.720 1.160 1.00 0.00 C ATOM 227 C LEU A 16 -6.247 -5.432 0.625 1.00 0.00 C ATOM 228 O LEU A 16 -6.221 -4.416 1.292 1.00 0.00 O ATOM 229 CB LEU A 16 -5.792 -7.698 1.624 1.00 0.00 C ATOM 230 CG LEU A 16 -5.699 -7.690 3.152 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.754 -6.252 3.670 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.869 -8.487 3.734 1.00 0.00 C ATOM 0 H LEU A 16 -7.228 -8.358 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.536 -6.443 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.024 -8.703 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.830 -7.423 1.192 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.756 -8.144 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.687 -6.254 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.920 -5.684 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.694 -5.791 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.806 -8.484 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.809 -8.032 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.826 -9.514 3.371 1.00 0.00 H new ATOM 244 N VAL A 17 -5.753 -5.467 -0.582 1.00 0.00 N ATOM 245 CA VAL A 17 -5.142 -4.243 -1.179 1.00 0.00 C ATOM 246 C VAL A 17 -6.206 -3.443 -1.933 1.00 0.00 C ATOM 247 O VAL A 17 -6.167 -2.230 -1.990 1.00 0.00 O ATOM 248 CB VAL A 17 -4.086 -4.764 -2.152 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.488 -3.590 -2.931 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.983 -5.475 -1.369 1.00 0.00 C ATOM 0 H VAL A 17 -5.746 -6.291 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.714 -3.583 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.545 -5.464 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.734 -3.961 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.276 -3.083 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.027 -2.889 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.228 -5.848 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.522 -4.775 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.411 -6.310 -0.814 1.00 0.00 H new ATOM 260 N HIS A 18 -7.153 -4.117 -2.519 1.00 0.00 N ATOM 261 CA HIS A 18 -8.217 -3.404 -3.278 1.00 0.00 C ATOM 262 C HIS A 18 -9.285 -2.870 -2.322 1.00 0.00 C ATOM 263 O HIS A 18 -9.840 -1.810 -2.527 1.00 0.00 O ATOM 264 CB HIS A 18 -8.814 -4.466 -4.204 1.00 0.00 C ATOM 265 CG HIS A 18 -7.881 -4.713 -5.357 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.338 -4.816 -6.677 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.517 -4.889 -5.415 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.265 -5.044 -7.463 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.162 -5.094 -6.734 1.00 0.00 N ATOM 0 H HIS A 18 -7.237 -5.133 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.828 -2.547 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.980 -5.392 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.785 -4.136 -4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.840 -4.870 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.301 -5.168 -8.535 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.218 -5.255 -7.084 1.00 0.00 H new ATOM 277 N SER A 19 -9.595 -3.605 -1.289 1.00 0.00 N ATOM 278 CA SER A 19 -10.651 -3.138 -0.343 1.00 0.00 C ATOM 279 C SER A 19 -10.075 -2.289 0.801 1.00 0.00 C ATOM 280 O SER A 19 -10.672 -1.317 1.221 1.00 0.00 O ATOM 281 CB SER A 19 -11.272 -4.416 0.217 1.00 0.00 C ATOM 282 OG SER A 19 -12.399 -4.078 1.016 1.00 0.00 O ATOM 0 H SER A 19 -9.167 -4.502 -1.059 1.00 0.00 H new ATOM 0 HA SER A 19 -11.373 -2.500 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.573 -5.075 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.539 -4.960 0.813 1.00 0.00 H new ATOM 0 HG SER A 19 -12.802 -4.896 1.376 1.00 0.00 H new ATOM 288 N SER A 20 -8.948 -2.662 1.336 1.00 0.00 N ATOM 289 CA SER A 20 -8.378 -1.887 2.484 1.00 0.00 C ATOM 290 C SER A 20 -7.424 -0.771 2.036 1.00 0.00 C ATOM 291 O SER A 20 -7.159 0.152 2.781 1.00 0.00 O ATOM 292 CB SER A 20 -7.623 -2.923 3.313 1.00 0.00 C ATOM 293 OG SER A 20 -6.235 -2.844 3.013 1.00 0.00 O ATOM 0 H SER A 20 -8.395 -3.464 1.034 1.00 0.00 H new ATOM 0 HA SER A 20 -9.169 -1.382 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.788 -2.745 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.998 -3.923 3.095 1.00 0.00 H new ATOM 0 HG SER A 20 -6.083 -3.134 2.089 1.00 0.00 H new