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 -34:sc= -0.651! 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 81:sc= 0.561 USER MOD Single : A 10 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.025) USER MOD Single : A 14 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.8!) USER MOD Single : A 18 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.49) USER MOD Single : A 19 SER OG : rot -87:sc= 0.79 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -8.668 -23.676 0.164 1.00 0.00 N ATOM 50 CA THR A 4 -7.522 -23.797 1.101 1.00 0.00 C ATOM 51 C THR A 4 -7.132 -22.410 1.589 1.00 0.00 C ATOM 52 O THR A 4 -6.829 -21.532 0.806 1.00 0.00 O ATOM 53 CB THR A 4 -6.400 -24.427 0.272 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.312 -23.768 -0.982 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.698 -25.914 0.050 1.00 0.00 C ATOM 0 HA THR A 4 -7.747 -24.398 1.982 1.00 0.00 H new ATOM 0 HB THR A 4 -5.454 -24.324 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.207 -23.491 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.898 -26.361 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.764 -26.420 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.644 -26.020 -0.481 1.00 0.00 H new ATOM 63 N ALA A 5 -7.139 -22.206 2.880 1.00 0.00 N ATOM 64 CA ALA A 5 -6.762 -20.872 3.430 1.00 0.00 C ATOM 65 C ALA A 5 -5.581 -20.308 2.640 1.00 0.00 C ATOM 66 O ALA A 5 -5.397 -19.112 2.544 1.00 0.00 O ATOM 67 CB ALA A 5 -6.359 -21.133 4.884 1.00 0.00 C ATOM 0 H ALA A 5 -7.390 -22.907 3.577 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.575 -20.149 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.068 -20.194 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.202 -21.564 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.519 -21.827 4.910 1.00 0.00 H new ATOM 73 N THR A 6 -4.792 -21.169 2.054 1.00 0.00 N ATOM 74 CA THR A 6 -3.636 -20.688 1.248 1.00 0.00 C ATOM 75 C THR A 6 -4.162 -19.903 0.044 1.00 0.00 C ATOM 76 O THR A 6 -3.661 -18.849 -0.292 1.00 0.00 O ATOM 77 CB THR A 6 -2.903 -21.958 0.804 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.603 -21.616 0.346 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.679 -22.642 -0.325 1.00 0.00 C ATOM 0 H THR A 6 -4.899 -22.182 2.099 1.00 0.00 H new ATOM 0 HA THR A 6 -2.971 -20.026 1.803 1.00 0.00 H new ATOM 0 HB THR A 6 -2.826 -22.642 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.132 -22.427 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.151 -23.544 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.676 -22.908 0.028 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.763 -21.962 -1.173 1.00 0.00 H new ATOM 87 N CYS A 7 -5.191 -20.402 -0.586 1.00 0.00 N ATOM 88 CA CYS A 7 -5.781 -19.682 -1.747 1.00 0.00 C ATOM 89 C CYS A 7 -6.759 -18.633 -1.229 1.00 0.00 C ATOM 90 O CYS A 7 -6.780 -17.507 -1.683 1.00 0.00 O ATOM 91 CB CYS A 7 -6.511 -20.756 -2.554 1.00 0.00 C ATOM 92 SG CYS A 7 -7.639 -19.978 -3.735 1.00 0.00 S ATOM 0 H CYS A 7 -5.649 -21.281 -0.344 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.037 -19.169 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.790 -21.379 -3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.067 -21.411 -1.884 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.254 -20.897 -4.418 1.00 0.00 H new ATOM 97 N ALA A 8 -7.556 -18.992 -0.260 1.00 0.00 N ATOM 98 CA ALA A 8 -8.513 -18.007 0.311 1.00 0.00 C ATOM 99 C ALA A 8 -7.725 -16.843 0.894 1.00 0.00 C ATOM 100 O ALA A 8 -7.949 -15.706 0.549 1.00 0.00 O ATOM 101 CB ALA A 8 -9.271 -18.756 1.407 1.00 0.00 C ATOM 0 H ALA A 8 -7.585 -19.922 0.159 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.203 -17.605 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.995 -18.087 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.792 -19.609 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.567 -19.108 2.161 1.00 0.00 H new ATOM 107 N THR A 9 -6.782 -17.111 1.754 1.00 0.00 N ATOM 108 CA THR A 9 -5.978 -15.991 2.310 1.00 0.00 C ATOM 109 C THR A 9 -5.370 -15.217 1.143 1.00 0.00 C ATOM 110 O THR A 9 -5.300 -14.004 1.154 1.00 0.00 O ATOM 111 CB THR A 9 -4.887 -16.645 3.160 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.490 -17.440 4.170 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.029 -15.558 3.808 1.00 0.00 C ATOM 0 H THR A 9 -6.537 -18.042 2.091 1.00 0.00 H new ATOM 0 HA THR A 9 -6.566 -15.297 2.910 1.00 0.00 H new ATOM 0 HB THR A 9 -4.259 -17.275 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.754 -18.305 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.251 -16.022 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.568 -14.947 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.655 -14.929 4.441 1.00 0.00 H new ATOM 121 N GLN A 10 -4.947 -15.917 0.121 1.00 0.00 N ATOM 122 CA GLN A 10 -4.366 -15.231 -1.061 1.00 0.00 C ATOM 123 C GLN A 10 -5.478 -14.506 -1.826 1.00 0.00 C ATOM 124 O GLN A 10 -5.245 -13.556 -2.551 1.00 0.00 O ATOM 125 CB GLN A 10 -3.768 -16.348 -1.917 1.00 0.00 C ATOM 126 CG GLN A 10 -2.266 -16.451 -1.648 1.00 0.00 C ATOM 127 CD GLN A 10 -1.694 -17.701 -2.330 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.536 -18.021 -2.154 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.457 -18.428 -3.105 1.00 0.00 N ATOM 0 H GLN A 10 -4.981 -16.935 0.059 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.616 -14.488 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.255 -17.296 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.946 -16.146 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.760 -15.560 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.083 -16.497 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.430 -18.163 -3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.079 -19.260 -3.558 1.00 0.00 H new ATOM 138 N ARG A 11 -6.698 -14.924 -1.628 1.00 0.00 N ATOM 139 CA ARG A 11 -7.839 -14.253 -2.303 1.00 0.00 C ATOM 140 C ARG A 11 -8.242 -13.107 -1.405 1.00 0.00 C ATOM 141 O ARG A 11 -8.458 -11.988 -1.825 1.00 0.00 O ATOM 142 CB ARG A 11 -8.935 -15.319 -2.372 1.00 0.00 C ATOM 143 CG ARG A 11 -8.662 -16.261 -3.545 1.00 0.00 C ATOM 144 CD ARG A 11 -9.293 -15.690 -4.817 1.00 0.00 C ATOM 145 NE ARG A 11 -8.628 -16.418 -5.933 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.256 -16.589 -7.065 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.513 -16.940 -7.067 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.626 -16.410 -8.194 1.00 0.00 N ATOM 0 H ARG A 11 -6.952 -15.706 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.626 -13.866 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.967 -15.883 -1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.910 -14.846 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.588 -16.385 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.072 -17.249 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.371 -15.848 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.128 -14.615 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.683 -16.783 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.005 -17.081 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.004 -17.074 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.643 -16.137 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.116 -16.544 -9.078 1.00 0.00 H new ATOM 162 N LEU A 12 -8.276 -13.399 -0.147 1.00 0.00 N ATOM 163 CA LEU A 12 -8.586 -12.376 0.866 1.00 0.00 C ATOM 164 C LEU A 12 -7.579 -11.238 0.739 1.00 0.00 C ATOM 165 O LEU A 12 -7.915 -10.075 0.837 1.00 0.00 O ATOM 166 CB LEU A 12 -8.406 -13.134 2.176 1.00 0.00 C ATOM 167 CG LEU A 12 -9.746 -13.716 2.640 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.589 -12.612 3.281 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.502 -14.303 1.445 1.00 0.00 C ATOM 0 H LEU A 12 -8.097 -14.330 0.230 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.576 -11.930 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.679 -13.936 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.008 -12.466 2.939 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.559 -14.504 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.542 -13.027 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.057 -12.199 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.770 -11.822 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.453 -14.715 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.686 -13.519 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.906 -15.094 0.990 1.00 0.00 H new ATOM 181 N ALA A 13 -6.343 -11.574 0.495 1.00 0.00 N ATOM 182 CA ALA A 13 -5.304 -10.523 0.328 1.00 0.00 C ATOM 183 C ALA A 13 -5.590 -9.753 -0.962 1.00 0.00 C ATOM 184 O ALA A 13 -5.275 -8.586 -1.090 1.00 0.00 O ATOM 185 CB ALA A 13 -3.979 -11.280 0.228 1.00 0.00 C ATOM 0 H ALA A 13 -6.008 -12.533 0.404 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.284 -9.805 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.162 -10.569 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.821 -11.858 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.008 -11.953 -0.629 1.00 0.00 H new ATOM 191 N ASN A 14 -6.206 -10.404 -1.911 1.00 0.00 N ATOM 192 CA ASN A 14 -6.543 -9.723 -3.192 1.00 0.00 C ATOM 193 C ASN A 14 -7.471 -8.546 -2.902 1.00 0.00 C ATOM 194 O ASN A 14 -7.302 -7.464 -3.426 1.00 0.00 O ATOM 195 CB ASN A 14 -7.266 -10.778 -4.033 1.00 0.00 C ATOM 196 CG ASN A 14 -7.058 -10.473 -5.518 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.124 -9.788 -5.885 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.895 -10.957 -6.396 1.00 0.00 N ATOM 0 H ASN A 14 -6.491 -11.382 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.664 -9.336 -3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.884 -11.771 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.330 -10.781 -3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.764 -10.760 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.680 -11.532 -6.090 1.00 0.00 H new ATOM 205 N PHE A 15 -8.441 -8.748 -2.051 1.00 0.00 N ATOM 206 CA PHE A 15 -9.367 -7.636 -1.709 1.00 0.00 C ATOM 207 C PHE A 15 -8.643 -6.683 -0.765 1.00 0.00 C ATOM 208 O PHE A 15 -9.030 -5.544 -0.592 1.00 0.00 O ATOM 209 CB PHE A 15 -10.569 -8.280 -1.002 1.00 0.00 C ATOM 210 CG PHE A 15 -10.865 -9.633 -1.601 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.809 -9.812 -2.988 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.185 -10.711 -0.769 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.073 -11.070 -3.542 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.448 -11.968 -1.321 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.393 -12.148 -2.708 1.00 0.00 C ATOM 0 H PHE A 15 -8.630 -9.633 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.692 -7.077 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.361 -8.384 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.443 -7.635 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.562 -8.980 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.229 -10.572 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.030 -11.209 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.694 -12.800 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.597 -13.119 -3.135 1.00 0.00 H new ATOM 225 N LEU A 16 -7.579 -7.141 -0.158 1.00 0.00 N ATOM 226 CA LEU A 16 -6.819 -6.253 0.763 1.00 0.00 C ATOM 227 C LEU A 16 -6.173 -5.133 -0.048 1.00 0.00 C ATOM 228 O LEU A 16 -6.127 -3.995 0.367 1.00 0.00 O ATOM 229 CB LEU A 16 -5.754 -7.145 1.400 1.00 0.00 C ATOM 230 CG LEU A 16 -6.077 -7.351 2.880 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.150 -5.994 3.585 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.424 -8.064 3.007 1.00 0.00 C ATOM 0 H LEU A 16 -7.208 -8.085 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.450 -5.791 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.717 -8.107 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.770 -6.688 1.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.296 -7.955 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.380 -6.144 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.191 -5.484 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.930 -5.387 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.659 -8.213 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.202 -7.457 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.373 -9.031 2.506 1.00 0.00 H new ATOM 244 N VAL A 17 -5.690 -5.454 -1.214 1.00 0.00 N ATOM 245 CA VAL A 17 -5.059 -4.416 -2.072 1.00 0.00 C ATOM 246 C VAL A 17 -6.138 -3.724 -2.906 1.00 0.00 C ATOM 247 O VAL A 17 -6.021 -2.569 -3.263 1.00 0.00 O ATOM 248 CB VAL A 17 -4.089 -5.184 -2.970 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.316 -4.200 -3.848 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.105 -5.970 -2.101 1.00 0.00 C ATOM 0 H VAL A 17 -5.705 -6.394 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.547 -3.644 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.649 -5.873 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.625 -4.749 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.015 -3.638 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.756 -3.511 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.413 -6.518 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.546 -5.280 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.654 -6.673 -1.474 1.00 0.00 H new ATOM 260 N HIS A 18 -7.194 -4.428 -3.216 1.00 0.00 N ATOM 261 CA HIS A 18 -8.290 -3.824 -4.024 1.00 0.00 C ATOM 262 C HIS A 18 -9.265 -3.065 -3.123 1.00 0.00 C ATOM 263 O HIS A 18 -9.587 -1.919 -3.367 1.00 0.00 O ATOM 264 CB HIS A 18 -8.994 -5.013 -4.675 1.00 0.00 C ATOM 265 CG HIS A 18 -8.116 -5.595 -5.747 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.368 -4.794 -6.619 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.851 -6.897 -6.108 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.697 -5.616 -7.453 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.968 -6.881 -7.169 1.00 0.00 N ATOM 0 H HIS A 18 -7.344 -5.399 -2.943 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.913 -3.110 -4.756 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.219 -5.771 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.945 -4.696 -5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.263 -7.779 -5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.034 -5.289 -8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.591 -7.698 -7.649 1.00 0.00 H new ATOM 277 N SER A 19 -9.747 -3.700 -2.089 1.00 0.00 N ATOM 278 CA SER A 19 -10.713 -3.018 -1.178 1.00 0.00 C ATOM 279 C SER A 19 -10.023 -1.900 -0.392 1.00 0.00 C ATOM 280 O SER A 19 -10.578 -0.841 -0.190 1.00 0.00 O ATOM 281 CB SER A 19 -11.211 -4.109 -0.232 1.00 0.00 C ATOM 282 OG SER A 19 -10.447 -4.076 0.966 1.00 0.00 O ATOM 0 H SER A 19 -9.515 -4.660 -1.835 1.00 0.00 H new ATOM 0 HA SER A 19 -11.529 -2.552 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.267 -3.958 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.123 -5.086 -0.707 1.00 0.00 H new ATOM 0 HG SER A 19 -9.640 -4.620 0.854 1.00 0.00 H new ATOM 288 N SER A 20 -8.819 -2.126 0.051 1.00 0.00 N ATOM 289 CA SER A 20 -8.106 -1.071 0.822 1.00 0.00 C ATOM 290 C SER A 20 -7.750 0.095 -0.094 1.00 0.00 C ATOM 291 O SER A 20 -8.053 1.233 0.192 1.00 0.00 O ATOM 292 CB SER A 20 -6.839 -1.745 1.345 1.00 0.00 C ATOM 293 OG SER A 20 -6.276 -0.948 2.380 1.00 0.00 O ATOM 0 H SER A 20 -8.299 -2.993 -0.087 1.00 0.00 H new ATOM 0 HA SER A 20 -8.715 -0.669 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.072 -2.740 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.120 -1.872 0.536 1.00 0.00 H new ATOM 0 HG SER A 20 -5.464 -1.379 2.719 1.00 0.00 H new