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 -170:sc= -1.67 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 128:sc= 0.96 USER MOD Single : A 10 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.039) USER MOD Single : A 14 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=0) 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 -8.283 -23.621 1.185 1.00 0.00 N ATOM 50 CA THR A 4 -6.904 -23.767 1.704 1.00 0.00 C ATOM 51 C THR A 4 -6.397 -22.404 2.156 1.00 0.00 C ATOM 52 O THR A 4 -6.385 -21.457 1.401 1.00 0.00 O ATOM 53 CB THR A 4 -6.097 -24.291 0.518 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.196 -23.375 -0.562 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.649 -25.650 0.088 1.00 0.00 C ATOM 0 HA THR A 4 -6.832 -24.438 2.560 1.00 0.00 H new ATOM 0 HB THR A 4 -5.052 -24.399 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.815 -23.779 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.074 -26.025 -0.759 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.573 -26.353 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.694 -25.543 -0.202 1.00 0.00 H new ATOM 63 N ALA A 5 -5.978 -22.300 3.384 1.00 0.00 N ATOM 64 CA ALA A 5 -5.465 -20.995 3.891 1.00 0.00 C ATOM 65 C ALA A 5 -4.577 -20.338 2.831 1.00 0.00 C ATOM 66 O ALA A 5 -4.386 -19.138 2.824 1.00 0.00 O ATOM 67 CB ALA A 5 -4.647 -21.345 5.135 1.00 0.00 C ATOM 0 H ALA A 5 -5.968 -23.063 4.061 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.267 -20.293 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.234 -20.434 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.289 -21.835 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.834 -22.016 4.859 1.00 0.00 H new ATOM 73 N THR A 6 -4.041 -21.116 1.929 1.00 0.00 N ATOM 74 CA THR A 6 -3.174 -20.538 0.862 1.00 0.00 C ATOM 75 C THR A 6 -4.041 -19.883 -0.215 1.00 0.00 C ATOM 76 O THR A 6 -3.639 -18.937 -0.857 1.00 0.00 O ATOM 77 CB THR A 6 -2.395 -21.723 0.283 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.722 -21.311 -0.898 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.361 -22.863 -0.052 1.00 0.00 C ATOM 0 H THR A 6 -4.166 -22.127 1.885 1.00 0.00 H new ATOM 0 HA THR A 6 -2.503 -19.769 1.246 1.00 0.00 H new ATOM 0 HB THR A 6 -1.668 -22.072 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.221 -22.067 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.803 -23.704 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.878 -23.179 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.090 -22.518 -0.785 1.00 0.00 H new ATOM 87 N CYS A 7 -5.234 -20.375 -0.411 1.00 0.00 N ATOM 88 CA CYS A 7 -6.130 -19.774 -1.437 1.00 0.00 C ATOM 89 C CYS A 7 -6.958 -18.660 -0.805 1.00 0.00 C ATOM 90 O CYS A 7 -6.832 -17.503 -1.154 1.00 0.00 O ATOM 91 CB CYS A 7 -7.028 -20.918 -1.904 1.00 0.00 C ATOM 92 SG CYS A 7 -8.406 -20.249 -2.870 1.00 0.00 S ATOM 0 H CYS A 7 -5.626 -21.168 0.096 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.579 -19.334 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.454 -21.621 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.407 -21.471 -1.045 1.00 0.00 H new ATOM 0 HG CYS A 7 -9.169 -21.223 -3.269 1.00 0.00 H new ATOM 97 N ALA A 8 -7.793 -18.997 0.137 1.00 0.00 N ATOM 98 CA ALA A 8 -8.614 -17.950 0.806 1.00 0.00 C ATOM 99 C ALA A 8 -7.725 -16.753 1.129 1.00 0.00 C ATOM 100 O ALA A 8 -8.026 -15.633 0.779 1.00 0.00 O ATOM 101 CB ALA A 8 -9.136 -18.602 2.087 1.00 0.00 C ATOM 0 H ALA A 8 -7.942 -19.949 0.472 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.435 -17.593 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.751 -17.888 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.735 -19.476 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.294 -18.907 2.709 1.00 0.00 H new ATOM 107 N THR A 9 -6.615 -16.984 1.773 1.00 0.00 N ATOM 108 CA THR A 9 -5.705 -15.853 2.090 1.00 0.00 C ATOM 109 C THR A 9 -5.303 -15.147 0.793 1.00 0.00 C ATOM 110 O THR A 9 -5.363 -13.937 0.690 1.00 0.00 O ATOM 111 CB THR A 9 -4.486 -16.491 2.756 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.891 -17.152 3.944 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.461 -15.410 3.093 1.00 0.00 C ATOM 0 H THR A 9 -6.302 -17.901 2.091 1.00 0.00 H new ATOM 0 HA THR A 9 -6.169 -15.109 2.738 1.00 0.00 H new ATOM 0 HB THR A 9 -4.035 -17.213 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.558 -18.074 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.593 -15.867 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.151 -14.905 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.907 -14.685 3.774 1.00 0.00 H new ATOM 121 N GLN A 10 -4.896 -15.893 -0.201 1.00 0.00 N ATOM 122 CA GLN A 10 -4.496 -15.259 -1.485 1.00 0.00 C ATOM 123 C GLN A 10 -5.711 -14.638 -2.182 1.00 0.00 C ATOM 124 O GLN A 10 -5.582 -13.789 -3.045 1.00 0.00 O ATOM 125 CB GLN A 10 -3.925 -16.397 -2.330 1.00 0.00 C ATOM 126 CG GLN A 10 -2.984 -15.829 -3.393 1.00 0.00 C ATOM 127 CD GLN A 10 -1.540 -15.953 -2.906 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.626 -16.068 -3.699 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.294 -15.936 -1.626 1.00 0.00 N ATOM 0 H GLN A 10 -4.825 -16.910 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.774 -14.456 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.388 -17.101 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.734 -16.951 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.111 -16.367 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.226 -14.784 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.061 -15.839 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.335 -16.019 -1.290 1.00 0.00 H new ATOM 138 N ARG A 11 -6.896 -15.026 -1.793 1.00 0.00 N ATOM 139 CA ARG A 11 -8.107 -14.434 -2.419 1.00 0.00 C ATOM 140 C ARG A 11 -8.490 -13.241 -1.584 1.00 0.00 C ATOM 141 O ARG A 11 -8.790 -12.168 -2.071 1.00 0.00 O ATOM 142 CB ARG A 11 -9.176 -15.525 -2.344 1.00 0.00 C ATOM 143 CG ARG A 11 -10.264 -15.237 -3.375 1.00 0.00 C ATOM 144 CD ARG A 11 -10.630 -16.530 -4.102 1.00 0.00 C ATOM 145 NE ARG A 11 -9.643 -16.638 -5.212 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.889 -17.418 -6.227 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.824 -18.326 -6.140 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.201 -17.290 -7.329 1.00 0.00 N ATOM 0 H ARG A 11 -7.075 -15.725 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.967 -14.112 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.729 -16.501 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.607 -15.560 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.144 -14.821 -2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.915 -14.491 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.569 -17.389 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.651 -16.494 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.776 -16.102 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.361 -18.424 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.017 -18.937 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.472 -16.580 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.393 -17.900 -8.124 1.00 0.00 H new ATOM 162 N LEU A 12 -8.431 -13.434 -0.309 1.00 0.00 N ATOM 163 CA LEU A 12 -8.728 -12.348 0.635 1.00 0.00 C ATOM 164 C LEU A 12 -7.660 -11.265 0.506 1.00 0.00 C ATOM 165 O LEU A 12 -7.942 -10.087 0.583 1.00 0.00 O ATOM 166 CB LEU A 12 -8.664 -13.034 1.991 1.00 0.00 C ATOM 167 CG LEU A 12 -10.062 -13.505 2.399 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.943 -12.291 2.695 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.684 -14.313 1.257 1.00 0.00 C ATOM 0 H LEU A 12 -8.183 -14.322 0.127 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.688 -11.859 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.982 -13.883 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.269 -12.346 2.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.987 -14.129 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.939 -12.626 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.504 -11.712 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.016 -11.668 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.679 -14.648 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.758 -13.688 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.058 -15.179 1.041 1.00 0.00 H new ATOM 181 N ALA A 13 -6.436 -11.661 0.288 1.00 0.00 N ATOM 182 CA ALA A 13 -5.348 -10.659 0.129 1.00 0.00 C ATOM 183 C ALA A 13 -5.530 -9.927 -1.198 1.00 0.00 C ATOM 184 O ALA A 13 -5.177 -8.773 -1.342 1.00 0.00 O ATOM 185 CB ALA A 13 -4.052 -11.469 0.128 1.00 0.00 C ATOM 0 H ALA A 13 -6.144 -12.635 0.213 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.345 -9.909 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.202 -10.796 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.961 -12.012 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.067 -12.178 -0.700 1.00 0.00 H new ATOM 191 N ASN A 14 -6.102 -10.593 -2.163 1.00 0.00 N ATOM 192 CA ASN A 14 -6.341 -9.950 -3.482 1.00 0.00 C ATOM 193 C ASN A 14 -7.258 -8.746 -3.283 1.00 0.00 C ATOM 194 O ASN A 14 -7.029 -7.680 -3.817 1.00 0.00 O ATOM 195 CB ASN A 14 -7.035 -11.023 -4.324 1.00 0.00 C ATOM 196 CG ASN A 14 -6.733 -10.794 -5.806 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.141 -11.635 -6.454 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.120 -9.685 -6.377 1.00 0.00 N ATOM 0 H ASN A 14 -6.415 -11.561 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.427 -9.597 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.693 -12.013 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.111 -10.992 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.925 -9.525 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.617 -8.978 -5.834 1.00 0.00 H new ATOM 205 N PHE A 15 -8.287 -8.908 -2.495 1.00 0.00 N ATOM 206 CA PHE A 15 -9.209 -7.767 -2.236 1.00 0.00 C ATOM 207 C PHE A 15 -8.623 -6.916 -1.115 1.00 0.00 C ATOM 208 O PHE A 15 -8.911 -5.745 -0.989 1.00 0.00 O ATOM 209 CB PHE A 15 -10.544 -8.377 -1.781 1.00 0.00 C ATOM 210 CG PHE A 15 -10.747 -9.739 -2.403 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.402 -9.959 -3.742 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.276 -10.783 -1.635 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.589 -11.222 -4.312 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.461 -12.045 -2.205 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.119 -12.265 -3.544 1.00 0.00 C ATOM 0 H PHE A 15 -8.528 -9.779 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.348 -7.144 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.560 -8.462 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.365 -7.717 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.992 -9.154 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.541 -10.613 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.324 -11.393 -5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.868 -12.851 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.264 -13.240 -3.985 1.00 0.00 H new ATOM 225 N LEU A 16 -7.791 -7.503 -0.299 1.00 0.00 N ATOM 226 CA LEU A 16 -7.182 -6.727 0.817 1.00 0.00 C ATOM 227 C LEU A 16 -6.407 -5.535 0.258 1.00 0.00 C ATOM 228 O LEU A 16 -6.680 -4.396 0.582 1.00 0.00 O ATOM 229 CB LEU A 16 -6.238 -7.704 1.515 1.00 0.00 C ATOM 230 CG LEU A 16 -6.149 -7.357 3.001 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.882 -5.859 3.163 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.471 -7.715 3.684 1.00 0.00 C ATOM 0 H LEU A 16 -7.508 -8.481 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.930 -6.330 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.598 -8.725 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.248 -7.657 1.060 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.336 -7.921 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.819 -5.613 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.942 -5.602 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.695 -5.293 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.411 -7.469 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.282 -7.150 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.662 -8.782 3.570 1.00 0.00 H new ATOM 244 N VAL A 17 -5.444 -5.789 -0.583 1.00 0.00 N ATOM 245 CA VAL A 17 -4.654 -4.665 -1.163 1.00 0.00 C ATOM 246 C VAL A 17 -5.507 -3.875 -2.160 1.00 0.00 C ATOM 247 O VAL A 17 -5.352 -2.678 -2.310 1.00 0.00 O ATOM 248 CB VAL A 17 -3.479 -5.333 -1.879 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.832 -4.334 -2.841 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.442 -5.786 -0.848 1.00 0.00 C ATOM 0 H VAL A 17 -5.170 -6.721 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.321 -3.961 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.840 -6.197 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.995 -4.810 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.568 -4.009 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.472 -3.471 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.605 -6.262 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.082 -4.922 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.899 -6.497 -0.160 1.00 0.00 H new ATOM 260 N HIS A 18 -6.403 -4.531 -2.844 1.00 0.00 N ATOM 261 CA HIS A 18 -7.250 -3.809 -3.831 1.00 0.00 C ATOM 262 C HIS A 18 -8.408 -3.116 -3.126 1.00 0.00 C ATOM 263 O HIS A 18 -8.481 -1.909 -3.071 1.00 0.00 O ATOM 264 CB HIS A 18 -7.780 -4.892 -4.773 1.00 0.00 C ATOM 265 CG HIS A 18 -6.809 -5.084 -5.902 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.200 -5.572 -7.156 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.458 -4.855 -5.989 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.099 -5.616 -7.936 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.042 -5.192 -7.262 1.00 0.00 N ATOM 0 H HIS A 18 -6.584 -5.531 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.690 -3.040 -4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.915 -5.828 -4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.757 -4.605 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.828 -4.476 -5.197 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.083 -5.950 -8.963 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.089 -5.126 -7.619 1.00 0.00 H new ATOM 277 N SER A 19 -9.319 -3.879 -2.601 1.00 0.00 N ATOM 278 CA SER A 19 -10.498 -3.270 -1.911 1.00 0.00 C ATOM 279 C SER A 19 -10.090 -2.046 -1.098 1.00 0.00 C ATOM 280 O SER A 19 -10.787 -1.051 -1.070 1.00 0.00 O ATOM 281 CB SER A 19 -11.052 -4.362 -0.999 1.00 0.00 C ATOM 282 OG SER A 19 -12.349 -3.986 -0.554 1.00 0.00 O ATOM 0 H SER A 19 -9.304 -4.899 -2.616 1.00 0.00 H new ATOM 0 HA SER A 19 -11.242 -2.927 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.099 -5.310 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.390 -4.510 -0.146 1.00 0.00 H new ATOM 0 HG SER A 19 -12.710 -4.685 0.031 1.00 0.00 H new ATOM 288 N SER A 20 -8.975 -2.098 -0.438 1.00 0.00 N ATOM 289 CA SER A 20 -8.545 -0.923 0.364 1.00 0.00 C ATOM 290 C SER A 20 -8.242 0.256 -0.559 1.00 0.00 C ATOM 291 O SER A 20 -8.876 1.290 -0.493 1.00 0.00 O ATOM 292 CB SER A 20 -7.281 -1.375 1.093 1.00 0.00 C ATOM 293 OG SER A 20 -6.419 -0.259 1.273 1.00 0.00 O ATOM 0 H SER A 20 -8.343 -2.898 -0.417 1.00 0.00 H new ATOM 0 HA SER A 20 -9.315 -0.594 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.540 -1.809 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.775 -2.152 0.520 1.00 0.00 H new ATOM 0 HG SER A 20 -5.607 -0.545 1.742 1.00 0.00 H new