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 4 THR OG1 : rot 11:sc= -0.122 USER MOD Set 1.2: A 7 CYS SG : rot -47:sc= -1.1! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.064) USER MOD Single : A 14 ASN : amide:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 105:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -8.120 -23.876 1.207 1.00 0.00 N ATOM 50 CA THR A 4 -6.706 -23.848 1.654 1.00 0.00 C ATOM 51 C THR A 4 -6.352 -22.436 2.114 1.00 0.00 C ATOM 52 O THR A 4 -6.414 -21.488 1.361 1.00 0.00 O ATOM 53 CB THR A 4 -5.881 -24.255 0.431 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.428 -23.661 -0.736 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.900 -25.778 0.285 1.00 0.00 C ATOM 0 HA THR A 4 -6.515 -24.519 2.492 1.00 0.00 H new ATOM 0 HB THR A 4 -4.854 -23.914 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.092 -22.987 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.312 -26.067 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.474 -26.234 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.928 -26.119 0.159 1.00 0.00 H new ATOM 63 N ALA A 5 -5.975 -22.290 3.353 1.00 0.00 N ATOM 64 CA ALA A 5 -5.609 -20.941 3.876 1.00 0.00 C ATOM 65 C ALA A 5 -4.701 -20.196 2.888 1.00 0.00 C ATOM 66 O ALA A 5 -4.514 -18.999 2.991 1.00 0.00 O ATOM 67 CB ALA A 5 -4.865 -21.218 5.183 1.00 0.00 C ATOM 0 H ALA A 5 -5.904 -23.049 4.030 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.486 -20.310 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.559 -20.274 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.522 -21.753 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.983 -21.825 4.978 1.00 0.00 H new ATOM 73 N THR A 6 -4.138 -20.885 1.932 1.00 0.00 N ATOM 74 CA THR A 6 -3.251 -20.212 0.948 1.00 0.00 C ATOM 75 C THR A 6 -4.087 -19.642 -0.192 1.00 0.00 C ATOM 76 O THR A 6 -3.729 -18.667 -0.822 1.00 0.00 O ATOM 77 CB THR A 6 -2.346 -21.331 0.428 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.482 -20.814 -0.576 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.211 -22.451 -0.164 1.00 0.00 C ATOM 0 H THR A 6 -4.257 -21.888 1.792 1.00 0.00 H new ATOM 0 HA THR A 6 -2.687 -19.386 1.382 1.00 0.00 H new ATOM 0 HB THR A 6 -1.749 -21.729 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.901 -21.530 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.568 -23.249 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.872 -22.846 0.607 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.808 -22.054 -0.985 1.00 0.00 H new ATOM 87 N CYS A 7 -5.199 -20.253 -0.459 1.00 0.00 N ATOM 88 CA CYS A 7 -6.070 -19.778 -1.557 1.00 0.00 C ATOM 89 C CYS A 7 -7.046 -18.731 -1.035 1.00 0.00 C ATOM 90 O CYS A 7 -7.373 -17.776 -1.710 1.00 0.00 O ATOM 91 CB CYS A 7 -6.798 -21.040 -2.006 1.00 0.00 C ATOM 92 SG CYS A 7 -8.060 -21.482 -0.799 1.00 0.00 S ATOM 0 H CYS A 7 -5.545 -21.071 0.043 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.524 -19.302 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.256 -20.878 -2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.088 -21.859 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.552 -21.435 0.397 1.00 0.00 H new ATOM 97 N ALA A 8 -7.507 -18.903 0.167 1.00 0.00 N ATOM 98 CA ALA A 8 -8.454 -17.920 0.737 1.00 0.00 C ATOM 99 C ALA A 8 -7.691 -16.647 1.074 1.00 0.00 C ATOM 100 O ALA A 8 -7.959 -15.594 0.536 1.00 0.00 O ATOM 101 CB ALA A 8 -9.004 -18.582 2.001 1.00 0.00 C ATOM 0 H ALA A 8 -7.267 -19.683 0.779 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.260 -17.651 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.716 -17.912 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.504 -19.513 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.184 -18.793 2.687 1.00 0.00 H new ATOM 107 N THR A 9 -6.731 -16.744 1.951 1.00 0.00 N ATOM 108 CA THR A 9 -5.939 -15.543 2.321 1.00 0.00 C ATOM 109 C THR A 9 -5.301 -14.918 1.070 1.00 0.00 C ATOM 110 O THR A 9 -5.118 -13.719 0.999 1.00 0.00 O ATOM 111 CB THR A 9 -4.886 -16.060 3.321 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.887 -15.221 4.467 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.482 -16.064 2.701 1.00 0.00 C ATOM 0 H THR A 9 -6.462 -17.605 2.427 1.00 0.00 H new ATOM 0 HA THR A 9 -6.545 -14.753 2.765 1.00 0.00 H new ATOM 0 HB THR A 9 -5.142 -17.084 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.221 -15.544 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.763 -16.434 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.473 -16.711 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.211 -15.050 2.407 1.00 0.00 H new ATOM 121 N GLN A 10 -4.953 -15.709 0.085 1.00 0.00 N ATOM 122 CA GLN A 10 -4.328 -15.128 -1.129 1.00 0.00 C ATOM 123 C GLN A 10 -5.384 -14.441 -2.003 1.00 0.00 C ATOM 124 O GLN A 10 -5.091 -13.518 -2.741 1.00 0.00 O ATOM 125 CB GLN A 10 -3.704 -16.317 -1.861 1.00 0.00 C ATOM 126 CG GLN A 10 -3.040 -15.837 -3.154 1.00 0.00 C ATOM 127 CD GLN A 10 -3.613 -16.614 -4.340 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.921 -16.040 -5.366 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.767 -17.907 -4.245 1.00 0.00 N ATOM 0 H GLN A 10 -5.076 -16.722 0.074 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.587 -14.367 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.967 -16.804 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.469 -17.059 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.211 -14.769 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.961 -15.982 -3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.509 -18.389 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.146 -18.435 -5.032 1.00 0.00 H new ATOM 138 N ARG A 11 -6.620 -14.846 -1.898 1.00 0.00 N ATOM 139 CA ARG A 11 -7.679 -14.186 -2.705 1.00 0.00 C ATOM 140 C ARG A 11 -8.228 -13.062 -1.863 1.00 0.00 C ATOM 141 O ARG A 11 -8.411 -11.945 -2.304 1.00 0.00 O ATOM 142 CB ARG A 11 -8.737 -15.263 -2.958 1.00 0.00 C ATOM 143 CG ARG A 11 -9.217 -15.180 -4.408 1.00 0.00 C ATOM 144 CD ARG A 11 -10.635 -15.747 -4.513 1.00 0.00 C ATOM 145 NE ARG A 11 -10.477 -17.213 -4.301 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.937 -18.054 -5.188 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.011 -17.764 -5.870 1.00 0.00 N ATOM 148 NH2 ARG A 11 -10.319 -19.186 -5.394 1.00 0.00 N ATOM 0 H ARG A 11 -6.939 -15.601 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.332 -13.778 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.321 -16.250 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.578 -15.128 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.203 -14.144 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.542 -15.738 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.293 -15.308 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.075 -15.534 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.010 -17.560 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.493 -16.879 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.369 -18.422 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.478 -19.412 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.677 -19.844 -6.086 1.00 0.00 H new ATOM 162 N LEU A 12 -8.448 -13.363 -0.626 1.00 0.00 N ATOM 163 CA LEU A 12 -8.943 -12.347 0.319 1.00 0.00 C ATOM 164 C LEU A 12 -7.917 -11.217 0.441 1.00 0.00 C ATOM 165 O LEU A 12 -8.257 -10.051 0.434 1.00 0.00 O ATOM 166 CB LEU A 12 -9.067 -13.119 1.624 1.00 0.00 C ATOM 167 CG LEU A 12 -10.479 -13.694 1.754 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.399 -15.177 2.127 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.239 -12.937 2.845 1.00 0.00 C ATOM 0 H LEU A 12 -8.303 -14.289 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.881 -11.881 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.333 -13.924 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.853 -12.462 2.467 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.001 -13.587 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.406 -15.584 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.858 -15.719 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.876 -15.286 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.245 -13.346 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.715 -13.044 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.300 -11.881 2.581 1.00 0.00 H new ATOM 181 N ALA A 13 -6.663 -11.559 0.535 1.00 0.00 N ATOM 182 CA ALA A 13 -5.610 -10.510 0.640 1.00 0.00 C ATOM 183 C ALA A 13 -5.552 -9.715 -0.667 1.00 0.00 C ATOM 184 O ALA A 13 -5.230 -8.545 -0.683 1.00 0.00 O ATOM 185 CB ALA A 13 -4.303 -11.269 0.864 1.00 0.00 C ATOM 0 H ALA A 13 -6.321 -12.520 0.544 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.804 -9.803 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.480 -10.559 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.375 -11.855 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.120 -11.935 0.021 1.00 0.00 H new ATOM 191 N ASN A 14 -5.881 -10.349 -1.763 1.00 0.00 N ATOM 192 CA ASN A 14 -5.868 -9.644 -3.073 1.00 0.00 C ATOM 193 C ASN A 14 -6.874 -8.503 -3.029 1.00 0.00 C ATOM 194 O ASN A 14 -6.598 -7.396 -3.448 1.00 0.00 O ATOM 195 CB ASN A 14 -6.295 -10.691 -4.102 1.00 0.00 C ATOM 196 CG ASN A 14 -5.685 -10.348 -5.463 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.388 -9.972 -6.380 1.00 0.00 O ATOM 198 ND2 ASN A 14 -4.396 -10.460 -5.632 1.00 0.00 N ATOM 0 H ASN A 14 -6.159 -11.330 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.892 -9.224 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.969 -11.682 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.382 -10.721 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.978 -10.232 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.806 -10.776 -4.862 1.00 0.00 H new ATOM 205 N PHE A 15 -8.039 -8.757 -2.499 1.00 0.00 N ATOM 206 CA PHE A 15 -9.053 -7.673 -2.404 1.00 0.00 C ATOM 207 C PHE A 15 -8.608 -6.703 -1.316 1.00 0.00 C ATOM 208 O PHE A 15 -9.014 -5.561 -1.280 1.00 0.00 O ATOM 209 CB PHE A 15 -10.376 -8.346 -2.012 1.00 0.00 C ATOM 210 CG PHE A 15 -10.488 -9.708 -2.659 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.028 -9.901 -3.965 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.052 -10.775 -1.949 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.133 -11.163 -4.565 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.157 -12.037 -2.548 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.697 -12.230 -3.856 1.00 0.00 C ATOM 0 H PHE A 15 -8.330 -9.662 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.169 -7.125 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.433 -8.446 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.214 -7.721 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.592 -9.078 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.406 -10.625 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.779 -11.312 -5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.592 -12.860 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.777 -13.203 -4.318 1.00 0.00 H new ATOM 225 N LEU A 16 -7.759 -7.149 -0.427 1.00 0.00 N ATOM 226 CA LEU A 16 -7.284 -6.236 0.651 1.00 0.00 C ATOM 227 C LEU A 16 -6.546 -5.061 0.034 1.00 0.00 C ATOM 228 O LEU A 16 -6.690 -3.944 0.466 1.00 0.00 O ATOM 229 CB LEU A 16 -6.341 -7.073 1.514 1.00 0.00 C ATOM 230 CG LEU A 16 -6.643 -6.821 2.991 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.605 -7.893 3.507 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.339 -6.874 3.789 1.00 0.00 C ATOM 0 H LEU A 16 -7.378 -8.095 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.105 -5.831 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.462 -8.131 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.305 -6.815 1.295 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.102 -5.839 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.820 -7.713 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.533 -7.855 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.149 -8.876 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.550 -6.695 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.881 -7.856 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.656 -6.109 3.421 1.00 0.00 H new ATOM 244 N VAL A 17 -5.766 -5.295 -0.981 1.00 0.00 N ATOM 245 CA VAL A 17 -5.039 -4.161 -1.618 1.00 0.00 C ATOM 246 C VAL A 17 -5.931 -3.500 -2.671 1.00 0.00 C ATOM 247 O VAL A 17 -6.033 -2.289 -2.752 1.00 0.00 O ATOM 248 CB VAL A 17 -3.810 -4.788 -2.275 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.850 -3.684 -2.726 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.103 -5.698 -1.268 1.00 0.00 C ATOM 0 H VAL A 17 -5.600 -6.212 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.761 -3.391 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.121 -5.373 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.974 -4.133 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.353 -3.035 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.539 -3.097 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.226 -6.146 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.793 -5.112 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.785 -6.485 -0.948 1.00 0.00 H new ATOM 260 N HIS A 18 -6.579 -4.294 -3.476 1.00 0.00 N ATOM 261 CA HIS A 18 -7.465 -3.740 -4.535 1.00 0.00 C ATOM 262 C HIS A 18 -8.737 -3.140 -3.928 1.00 0.00 C ATOM 263 O HIS A 18 -9.100 -2.017 -4.216 1.00 0.00 O ATOM 264 CB HIS A 18 -7.804 -4.943 -5.414 1.00 0.00 C ATOM 265 CG HIS A 18 -6.696 -5.163 -6.406 1.00 0.00 C ATOM 266 ND1 HIS A 18 -6.818 -4.801 -7.753 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.434 -5.703 -6.273 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.662 -5.124 -8.369 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.815 -5.665 -7.506 1.00 0.00 N ATOM 0 H HIS A 18 -6.532 -5.312 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.986 -2.935 -5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.937 -5.832 -4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.746 -4.773 -5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.004 -6.089 -5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.456 -4.964 -9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.873 -5.995 -7.716 1.00 0.00 H new ATOM 277 N SER A 19 -9.422 -3.881 -3.098 1.00 0.00 N ATOM 278 CA SER A 19 -10.678 -3.350 -2.487 1.00 0.00 C ATOM 279 C SER A 19 -10.372 -2.199 -1.528 1.00 0.00 C ATOM 280 O SER A 19 -11.062 -1.200 -1.505 1.00 0.00 O ATOM 281 CB SER A 19 -11.291 -4.528 -1.734 1.00 0.00 C ATOM 282 OG SER A 19 -12.696 -4.336 -1.631 1.00 0.00 O ATOM 0 H SER A 19 -9.168 -4.828 -2.817 1.00 0.00 H new ATOM 0 HA SER A 19 -11.356 -2.953 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.077 -5.460 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.849 -4.610 -0.741 1.00 0.00 H new ATOM 0 HG SER A 19 -13.095 -5.091 -1.150 1.00 0.00 H new ATOM 288 N SER A 20 -9.347 -2.323 -0.736 1.00 0.00 N ATOM 289 CA SER A 20 -9.016 -1.227 0.213 1.00 0.00 C ATOM 290 C SER A 20 -8.991 0.108 -0.526 1.00 0.00 C ATOM 291 O SER A 20 -9.682 1.033 -0.170 1.00 0.00 O ATOM 292 CB SER A 20 -7.635 -1.575 0.756 1.00 0.00 C ATOM 293 OG SER A 20 -7.779 -2.463 1.857 1.00 0.00 O ATOM 0 H SER A 20 -8.726 -3.132 -0.704 1.00 0.00 H new ATOM 0 HA SER A 20 -9.748 -1.132 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.030 -2.038 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.115 -0.670 1.068 1.00 0.00 H new ATOM 0 HG SER A 20 -7.533 -3.370 1.580 1.00 0.00 H new