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 160:sc= -3.08! 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 121:sc= 0.226 USER MOD Single : A 10 GLN : amide:sc= -0.663 K(o=-0.66,f=-0.02) USER MOD Single : A 14 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.0032) USER MOD Single : A 18 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.037) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -8.464 -23.940 0.782 1.00 0.00 N ATOM 50 CA THR A 4 -7.354 -23.872 1.764 1.00 0.00 C ATOM 51 C THR A 4 -7.021 -22.419 2.049 1.00 0.00 C ATOM 52 O THR A 4 -6.636 -21.677 1.172 1.00 0.00 O ATOM 53 CB THR A 4 -6.179 -24.586 1.096 1.00 0.00 C ATOM 54 OG1 THR A 4 -4.981 -24.271 1.789 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.068 -24.135 -0.361 1.00 0.00 C ATOM 0 HA THR A 4 -7.605 -24.337 2.717 1.00 0.00 H new ATOM 0 HB THR A 4 -6.341 -25.663 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.300 -24.946 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.230 -24.644 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.989 -24.381 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.906 -23.058 -0.397 1.00 0.00 H new ATOM 63 N ALA A 5 -7.171 -22.016 3.280 1.00 0.00 N ATOM 64 CA ALA A 5 -6.867 -20.609 3.657 1.00 0.00 C ATOM 65 C ALA A 5 -5.633 -20.120 2.900 1.00 0.00 C ATOM 66 O ALA A 5 -5.487 -18.950 2.633 1.00 0.00 O ATOM 67 CB ALA A 5 -6.587 -20.657 5.158 1.00 0.00 C ATOM 0 H ALA A 5 -7.494 -22.607 4.046 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.683 -19.928 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.353 -19.655 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.467 -21.033 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.741 -21.317 5.349 1.00 0.00 H new ATOM 73 N THR A 6 -4.753 -21.010 2.534 1.00 0.00 N ATOM 74 CA THR A 6 -3.543 -20.576 1.777 1.00 0.00 C ATOM 75 C THR A 6 -3.989 -19.960 0.451 1.00 0.00 C ATOM 76 O THR A 6 -3.463 -18.961 -0.001 1.00 0.00 O ATOM 77 CB THR A 6 -2.718 -21.853 1.558 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.365 -21.501 1.309 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.268 -22.643 0.367 1.00 0.00 C ATOM 0 H THR A 6 -4.817 -22.010 2.723 1.00 0.00 H new ATOM 0 HA THR A 6 -2.952 -19.825 2.302 1.00 0.00 H new ATOM 0 HB THR A 6 -2.780 -22.474 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.836 -22.314 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.674 -23.545 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.305 -22.918 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.217 -22.028 -0.532 1.00 0.00 H new ATOM 87 N CYS A 7 -4.982 -20.546 -0.153 1.00 0.00 N ATOM 88 CA CYS A 7 -5.512 -20.011 -1.432 1.00 0.00 C ATOM 89 C CYS A 7 -6.556 -18.947 -1.118 1.00 0.00 C ATOM 90 O CYS A 7 -6.524 -17.849 -1.640 1.00 0.00 O ATOM 91 CB CYS A 7 -6.150 -21.219 -2.108 1.00 0.00 C ATOM 92 SG CYS A 7 -6.672 -20.781 -3.788 1.00 0.00 S ATOM 0 H CYS A 7 -5.454 -21.383 0.190 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.754 -19.550 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.440 -22.045 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.008 -21.560 -1.528 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.213 -21.817 -4.358 1.00 0.00 H new ATOM 97 N ALA A 8 -7.468 -19.261 -0.242 1.00 0.00 N ATOM 98 CA ALA A 8 -8.502 -18.266 0.142 1.00 0.00 C ATOM 99 C ALA A 8 -7.805 -17.021 0.675 1.00 0.00 C ATOM 100 O ALA A 8 -7.981 -15.943 0.159 1.00 0.00 O ATOM 101 CB ALA A 8 -9.329 -18.944 1.236 1.00 0.00 C ATOM 0 H ALA A 8 -7.541 -20.165 0.224 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.135 -17.961 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.115 -18.267 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.779 -19.855 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.683 -19.194 2.078 1.00 0.00 H new ATOM 107 N THR A 9 -6.985 -17.157 1.681 1.00 0.00 N ATOM 108 CA THR A 9 -6.271 -15.958 2.190 1.00 0.00 C ATOM 109 C THR A 9 -5.656 -15.228 1.000 1.00 0.00 C ATOM 110 O THR A 9 -5.748 -14.024 0.884 1.00 0.00 O ATOM 111 CB THR A 9 -5.183 -16.482 3.127 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.786 -17.229 4.175 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.407 -15.306 3.717 1.00 0.00 C ATOM 0 H THR A 9 -6.782 -18.032 2.164 1.00 0.00 H new ATOM 0 HA THR A 9 -6.926 -15.264 2.717 1.00 0.00 H new ATOM 0 HB THR A 9 -4.498 -17.122 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.434 -18.144 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.631 -15.680 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.947 -14.733 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.088 -14.664 4.276 1.00 0.00 H new ATOM 121 N GLN A 10 -5.047 -15.955 0.097 1.00 0.00 N ATOM 122 CA GLN A 10 -4.450 -15.298 -1.095 1.00 0.00 C ATOM 123 C GLN A 10 -5.553 -14.629 -1.922 1.00 0.00 C ATOM 124 O GLN A 10 -5.322 -13.686 -2.658 1.00 0.00 O ATOM 125 CB GLN A 10 -3.803 -16.433 -1.887 1.00 0.00 C ATOM 126 CG GLN A 10 -2.849 -15.852 -2.931 1.00 0.00 C ATOM 127 CD GLN A 10 -1.418 -15.914 -2.397 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.482 -16.087 -3.151 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.207 -15.782 -1.116 1.00 0.00 N ATOM 0 H GLN A 10 -4.940 -16.969 0.137 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.729 -14.525 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.261 -17.097 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.571 -17.033 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.926 -16.412 -3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.121 -14.821 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.993 -15.637 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.256 -15.824 -0.749 1.00 0.00 H new ATOM 138 N ARG A 11 -6.762 -15.089 -1.772 1.00 0.00 N ATOM 139 CA ARG A 11 -7.893 -14.478 -2.517 1.00 0.00 C ATOM 140 C ARG A 11 -8.403 -13.349 -1.651 1.00 0.00 C ATOM 141 O ARG A 11 -8.606 -12.229 -2.083 1.00 0.00 O ATOM 142 CB ARG A 11 -8.922 -15.604 -2.650 1.00 0.00 C ATOM 143 CG ARG A 11 -8.560 -16.483 -3.850 1.00 0.00 C ATOM 144 CD ARG A 11 -9.623 -16.332 -4.941 1.00 0.00 C ATOM 145 NE ARG A 11 -9.047 -15.349 -5.901 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.568 -15.208 -7.092 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.426 -16.083 -7.545 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.226 -14.188 -7.832 1.00 0.00 N ATOM 0 H ARG A 11 -7.016 -15.866 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.646 -14.080 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.942 -16.203 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.920 -15.186 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.583 -16.198 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.488 -17.526 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.829 -17.286 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.566 -15.975 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.243 -14.784 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.693 -16.881 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.829 -15.968 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.555 -13.505 -7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.630 -14.074 -8.762 1.00 0.00 H new ATOM 162 N LEU A 12 -8.536 -13.647 -0.403 1.00 0.00 N ATOM 163 CA LEU A 12 -8.950 -12.636 0.580 1.00 0.00 C ATOM 164 C LEU A 12 -7.969 -11.468 0.519 1.00 0.00 C ATOM 165 O LEU A 12 -8.350 -10.314 0.545 1.00 0.00 O ATOM 166 CB LEU A 12 -8.836 -13.380 1.904 1.00 0.00 C ATOM 167 CG LEU A 12 -10.180 -14.013 2.263 1.00 0.00 C ATOM 168 CD1 LEU A 12 -11.169 -12.915 2.659 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.723 -14.780 1.055 1.00 0.00 C ATOM 0 H LEU A 12 -8.370 -14.575 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.947 -12.226 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.069 -14.151 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.526 -12.693 2.691 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.047 -14.701 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.128 -13.365 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.782 -12.370 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.302 -12.227 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.681 -15.231 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.857 -14.094 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.018 -15.562 0.773 1.00 0.00 H new ATOM 181 N ALA A 13 -6.702 -11.769 0.409 1.00 0.00 N ATOM 182 CA ALA A 13 -5.684 -10.688 0.316 1.00 0.00 C ATOM 183 C ALA A 13 -5.943 -9.885 -0.958 1.00 0.00 C ATOM 184 O ALA A 13 -5.717 -8.693 -1.018 1.00 0.00 O ATOM 185 CB ALA A 13 -4.334 -11.403 0.236 1.00 0.00 C ATOM 0 H ALA A 13 -6.330 -12.718 0.380 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.714 -10.001 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.535 -10.665 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.190 -12.009 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.314 -12.045 -0.645 1.00 0.00 H new ATOM 191 N ASN A 14 -6.442 -10.535 -1.971 1.00 0.00 N ATOM 192 CA ASN A 14 -6.749 -9.813 -3.234 1.00 0.00 C ATOM 193 C ASN A 14 -7.637 -8.620 -2.899 1.00 0.00 C ATOM 194 O ASN A 14 -7.411 -7.514 -3.350 1.00 0.00 O ATOM 195 CB ASN A 14 -7.498 -10.822 -4.107 1.00 0.00 C ATOM 196 CG ASN A 14 -7.352 -10.430 -5.578 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.391 -11.276 -6.450 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.182 -9.176 -5.891 1.00 0.00 N ATOM 0 H ASN A 14 -6.650 -11.534 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.861 -9.441 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.101 -11.824 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.552 -10.848 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.082 -8.904 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.150 -8.467 -5.158 1.00 0.00 H new ATOM 205 N PHE A 15 -8.629 -8.831 -2.077 1.00 0.00 N ATOM 206 CA PHE A 15 -9.507 -7.700 -1.679 1.00 0.00 C ATOM 207 C PHE A 15 -8.680 -6.736 -0.842 1.00 0.00 C ATOM 208 O PHE A 15 -8.968 -5.561 -0.756 1.00 0.00 O ATOM 209 CB PHE A 15 -10.628 -8.296 -0.819 1.00 0.00 C ATOM 210 CG PHE A 15 -11.043 -9.647 -1.348 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.041 -9.892 -2.723 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.431 -10.652 -0.455 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.429 -11.146 -3.209 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.821 -11.905 -0.940 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.820 -12.153 -2.317 1.00 0.00 C ATOM 0 H PHE A 15 -8.867 -9.734 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.919 -7.173 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.290 -8.392 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.485 -7.623 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.741 -9.115 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.429 -10.461 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.427 -11.337 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.123 -12.681 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.120 -13.120 -2.692 1.00 0.00 H new ATOM 225 N LEU A 16 -7.640 -7.229 -0.225 1.00 0.00 N ATOM 226 CA LEU A 16 -6.792 -6.328 0.603 1.00 0.00 C ATOM 227 C LEU A 16 -6.080 -5.333 -0.308 1.00 0.00 C ATOM 228 O LEU A 16 -5.973 -4.161 -0.006 1.00 0.00 O ATOM 229 CB LEU A 16 -5.792 -7.241 1.308 1.00 0.00 C ATOM 230 CG LEU A 16 -6.003 -7.148 2.817 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.639 -8.485 3.465 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.112 -6.043 3.383 1.00 0.00 C ATOM 0 H LEU A 16 -7.344 -8.205 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.369 -5.752 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.923 -8.270 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.773 -6.950 1.053 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.047 -6.917 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.789 -8.420 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.274 -9.272 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.594 -8.717 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.259 -5.973 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.068 -6.275 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.373 -5.092 2.919 1.00 0.00 H new ATOM 244 N VAL A 17 -5.607 -5.789 -1.433 1.00 0.00 N ATOM 245 CA VAL A 17 -4.919 -4.869 -2.376 1.00 0.00 C ATOM 246 C VAL A 17 -5.961 -4.036 -3.124 1.00 0.00 C ATOM 247 O VAL A 17 -5.734 -2.892 -3.457 1.00 0.00 O ATOM 248 CB VAL A 17 -4.167 -5.780 -3.344 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.250 -4.936 -4.231 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.327 -6.785 -2.552 1.00 0.00 C ATOM 0 H VAL A 17 -5.668 -6.760 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.246 -4.176 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.882 -6.316 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.713 -5.586 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.848 -4.221 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.535 -4.399 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.790 -7.435 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.612 -6.249 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.980 -7.387 -1.920 1.00 0.00 H new ATOM 260 N HIS A 18 -7.107 -4.608 -3.386 1.00 0.00 N ATOM 261 CA HIS A 18 -8.175 -3.861 -4.111 1.00 0.00 C ATOM 262 C HIS A 18 -9.021 -3.057 -3.126 1.00 0.00 C ATOM 263 O HIS A 18 -9.059 -1.843 -3.167 1.00 0.00 O ATOM 264 CB HIS A 18 -9.027 -4.940 -4.780 1.00 0.00 C ATOM 265 CG HIS A 18 -8.475 -5.222 -6.145 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.185 -5.943 -7.112 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.281 -4.879 -6.725 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.412 -6.009 -8.217 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.265 -5.379 -8.012 1.00 0.00 N ATOM 0 H HIS A 18 -7.349 -5.564 -3.128 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.764 -3.154 -4.832 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.024 -5.849 -4.178 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.063 -4.609 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.489 -4.315 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.689 -6.504 -9.136 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.505 -5.281 -8.685 1.00 0.00 H new ATOM 277 N SER A 19 -9.701 -3.727 -2.243 1.00 0.00 N ATOM 278 CA SER A 19 -10.551 -3.005 -1.252 1.00 0.00 C ATOM 279 C SER A 19 -9.740 -1.885 -0.601 1.00 0.00 C ATOM 280 O SER A 19 -10.259 -0.835 -0.278 1.00 0.00 O ATOM 281 CB SER A 19 -10.957 -4.051 -0.216 1.00 0.00 C ATOM 282 OG SER A 19 -12.172 -3.651 0.403 1.00 0.00 O ATOM 0 H SER A 19 -9.707 -4.744 -2.162 1.00 0.00 H new ATOM 0 HA SER A 19 -11.426 -2.548 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.081 -5.023 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.173 -4.161 0.533 1.00 0.00 H new ATOM 0 HG SER A 19 -12.437 -4.321 1.067 1.00 0.00 H new ATOM 288 N SER A 20 -8.466 -2.094 -0.423 1.00 0.00 N ATOM 289 CA SER A 20 -7.622 -1.037 0.182 1.00 0.00 C ATOM 290 C SER A 20 -7.163 -0.085 -0.917 1.00 0.00 C ATOM 291 O SER A 20 -6.822 1.046 -0.662 1.00 0.00 O ATOM 292 CB SER A 20 -6.432 -1.772 0.798 1.00 0.00 C ATOM 293 OG SER A 20 -5.774 -0.912 1.719 1.00 0.00 O ATOM 0 H SER A 20 -7.976 -2.953 -0.672 1.00 0.00 H new ATOM 0 HA SER A 20 -8.149 -0.448 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.771 -2.676 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.739 -2.085 0.017 1.00 0.00 H new ATOM 0 HG SER A 20 -5.011 -1.381 2.117 1.00 0.00 H new