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= -2.78 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 -78:sc= 0.689 USER MOD Single : A 10 GLN : amide:sc= -3.62! K(o=-3.6!,f=-1.3) USER MOD Single : A 14 ASN : amide:sc= -0.083 K(o=-0.083,f=-1.9!) USER MOD Single : A 18 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-2.8!) USER MOD Single : A 19 SER OG : rot -89:sc= 0.0287 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -7.068 -23.325 2.099 1.00 0.00 N ATOM 50 CA THR A 4 -5.624 -23.193 2.413 1.00 0.00 C ATOM 51 C THR A 4 -5.308 -21.733 2.694 1.00 0.00 C ATOM 52 O THR A 4 -5.511 -20.876 1.860 1.00 0.00 O ATOM 53 CB THR A 4 -4.899 -23.667 1.154 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.231 -22.812 0.069 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.319 -25.099 0.822 1.00 0.00 C ATOM 0 HA THR A 4 -5.325 -23.770 3.288 1.00 0.00 H new ATOM 0 HB THR A 4 -3.823 -23.640 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.899 -23.200 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.799 -25.432 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.063 -25.755 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.395 -25.132 0.652 1.00 0.00 H new ATOM 63 N ALA A 5 -4.810 -21.445 3.862 1.00 0.00 N ATOM 64 CA ALA A 5 -4.468 -20.036 4.197 1.00 0.00 C ATOM 65 C ALA A 5 -3.814 -19.366 2.986 1.00 0.00 C ATOM 66 O ALA A 5 -3.866 -18.167 2.825 1.00 0.00 O ATOM 67 CB ALA A 5 -3.480 -20.133 5.359 1.00 0.00 C ATOM 0 H ALA A 5 -4.625 -22.124 4.600 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.343 -19.442 4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.179 -19.131 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.954 -20.642 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.601 -20.695 5.043 1.00 0.00 H new ATOM 73 N THR A 6 -3.211 -20.143 2.126 1.00 0.00 N ATOM 74 CA THR A 6 -2.563 -19.563 0.916 1.00 0.00 C ATOM 75 C THR A 6 -3.631 -19.154 -0.102 1.00 0.00 C ATOM 76 O THR A 6 -3.492 -18.163 -0.789 1.00 0.00 O ATOM 77 CB THR A 6 -1.693 -20.689 0.357 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.965 -20.211 -0.766 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.585 -21.855 -0.068 1.00 0.00 C ATOM 0 H THR A 6 -3.140 -21.157 2.211 1.00 0.00 H new ATOM 0 HA THR A 6 -1.978 -18.672 1.143 1.00 0.00 H new ATOM 0 HB THR A 6 -0.995 -21.027 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.406 -20.932 -1.124 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.967 -22.659 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.143 -22.220 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.282 -21.519 -0.835 1.00 0.00 H new ATOM 87 N CYS A 7 -4.697 -19.907 -0.198 1.00 0.00 N ATOM 88 CA CYS A 7 -5.779 -19.558 -1.165 1.00 0.00 C ATOM 89 C CYS A 7 -6.664 -18.461 -0.578 1.00 0.00 C ATOM 90 O CYS A 7 -6.829 -17.405 -1.157 1.00 0.00 O ATOM 91 CB CYS A 7 -6.574 -20.852 -1.362 1.00 0.00 C ATOM 92 SG CYS A 7 -8.141 -20.481 -2.190 1.00 0.00 S ATOM 0 H CYS A 7 -4.864 -20.749 0.353 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.388 -19.181 -2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.996 -21.559 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.763 -21.325 -0.398 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.814 -21.581 -2.358 1.00 0.00 H new ATOM 97 N ALA A 8 -7.226 -18.692 0.574 1.00 0.00 N ATOM 98 CA ALA A 8 -8.081 -17.646 1.197 1.00 0.00 C ATOM 99 C ALA A 8 -7.349 -16.311 1.131 1.00 0.00 C ATOM 100 O ALA A 8 -7.786 -15.387 0.478 1.00 0.00 O ATOM 101 CB ALA A 8 -8.269 -18.091 2.647 1.00 0.00 C ATOM 0 H ALA A 8 -7.131 -19.555 1.109 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.041 -17.524 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.891 -17.366 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.753 -19.068 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.297 -18.157 3.136 1.00 0.00 H new ATOM 107 N THR A 9 -6.221 -16.211 1.779 1.00 0.00 N ATOM 108 CA THR A 9 -5.461 -14.938 1.715 1.00 0.00 C ATOM 109 C THR A 9 -5.260 -14.568 0.249 1.00 0.00 C ATOM 110 O THR A 9 -5.305 -13.422 -0.126 1.00 0.00 O ATOM 111 CB THR A 9 -4.121 -15.220 2.394 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.423 -16.218 1.665 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.367 -15.701 3.826 1.00 0.00 C ATOM 0 H THR A 9 -5.799 -16.949 2.343 1.00 0.00 H new ATOM 0 HA THR A 9 -5.974 -14.111 2.205 1.00 0.00 H new ATOM 0 HB THR A 9 -3.524 -14.308 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.795 -17.099 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.412 -15.902 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.901 -14.930 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.963 -16.613 3.806 1.00 0.00 H new ATOM 121 N GLN A 10 -5.045 -15.536 -0.593 1.00 0.00 N ATOM 122 CA GLN A 10 -4.856 -15.223 -2.029 1.00 0.00 C ATOM 123 C GLN A 10 -6.103 -14.530 -2.589 1.00 0.00 C ATOM 124 O GLN A 10 -6.019 -13.680 -3.454 1.00 0.00 O ATOM 125 CB GLN A 10 -4.656 -16.579 -2.713 1.00 0.00 C ATOM 126 CG GLN A 10 -3.189 -16.743 -3.119 1.00 0.00 C ATOM 127 CD GLN A 10 -2.723 -15.490 -3.863 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.541 -15.224 -3.945 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.609 -14.703 -4.411 1.00 0.00 N ATOM 0 H GLN A 10 -4.992 -16.525 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.012 -14.552 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.948 -17.384 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.297 -16.651 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.572 -16.905 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.072 -17.621 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.602 -14.927 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.308 -13.865 -4.908 1.00 0.00 H new ATOM 138 N ARG A 11 -7.260 -14.870 -2.088 1.00 0.00 N ATOM 139 CA ARG A 11 -8.507 -14.229 -2.587 1.00 0.00 C ATOM 140 C ARG A 11 -8.788 -13.028 -1.718 1.00 0.00 C ATOM 141 O ARG A 11 -9.056 -11.934 -2.176 1.00 0.00 O ATOM 142 CB ARG A 11 -9.588 -15.294 -2.410 1.00 0.00 C ATOM 143 CG ARG A 11 -10.485 -15.323 -3.647 1.00 0.00 C ATOM 144 CD ARG A 11 -10.275 -16.643 -4.393 1.00 0.00 C ATOM 145 NE ARG A 11 -9.618 -16.263 -5.674 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.573 -17.118 -6.660 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.624 -17.309 -7.408 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.472 -17.778 -6.902 1.00 0.00 N ATOM 0 H ARG A 11 -7.394 -15.565 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.451 -13.894 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.129 -16.271 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.182 -15.079 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.530 -15.219 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.251 -14.482 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.651 -17.326 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.223 -17.150 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.204 -15.337 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.483 -16.790 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.587 -17.977 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.648 -17.625 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.437 -18.446 -7.672 1.00 0.00 H new ATOM 162 N LEU A 12 -8.684 -13.242 -0.454 1.00 0.00 N ATOM 163 CA LEU A 12 -8.890 -12.155 0.508 1.00 0.00 C ATOM 164 C LEU A 12 -7.846 -11.078 0.270 1.00 0.00 C ATOM 165 O LEU A 12 -8.163 -9.939 -0.006 1.00 0.00 O ATOM 166 CB LEU A 12 -8.685 -12.851 1.844 1.00 0.00 C ATOM 167 CG LEU A 12 -10.029 -13.337 2.386 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.420 -14.640 1.687 1.00 0.00 C ATOM 169 CD2 LEU A 12 -9.912 -13.581 3.893 1.00 0.00 C ATOM 0 H LEU A 12 -8.460 -14.146 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.860 -11.661 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.004 -13.694 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.222 -12.166 2.554 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.792 -12.582 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.378 -14.987 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.503 -14.467 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.658 -15.396 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.870 -13.928 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.149 -14.337 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.633 -12.653 4.391 1.00 0.00 H new ATOM 181 N ALA A 13 -6.602 -11.439 0.341 1.00 0.00 N ATOM 182 CA ALA A 13 -5.542 -10.434 0.083 1.00 0.00 C ATOM 183 C ALA A 13 -5.736 -9.889 -1.322 1.00 0.00 C ATOM 184 O ALA A 13 -5.385 -8.766 -1.622 1.00 0.00 O ATOM 185 CB ALA A 13 -4.210 -11.174 0.203 1.00 0.00 C ATOM 0 H ALA A 13 -6.274 -12.378 0.565 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.572 -9.599 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.390 -10.479 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.116 -11.593 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.173 -11.978 -0.532 1.00 0.00 H new ATOM 191 N ASN A 14 -6.332 -10.670 -2.184 1.00 0.00 N ATOM 192 CA ASN A 14 -6.585 -10.174 -3.555 1.00 0.00 C ATOM 193 C ASN A 14 -7.206 -8.790 -3.439 1.00 0.00 C ATOM 194 O ASN A 14 -6.762 -7.849 -4.052 1.00 0.00 O ATOM 195 CB ASN A 14 -7.581 -11.162 -4.170 1.00 0.00 C ATOM 196 CG ASN A 14 -7.436 -11.160 -5.693 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.779 -10.303 -6.250 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.030 -12.087 -6.393 1.00 0.00 N ATOM 0 H ASN A 14 -6.650 -11.621 -1.994 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.685 -10.102 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.402 -12.164 -3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.599 -10.888 -3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.943 -12.093 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.581 -12.806 -5.924 1.00 0.00 H new ATOM 205 N PHE A 15 -8.228 -8.664 -2.632 1.00 0.00 N ATOM 206 CA PHE A 15 -8.877 -7.333 -2.450 1.00 0.00 C ATOM 207 C PHE A 15 -8.245 -6.629 -1.249 1.00 0.00 C ATOM 208 O PHE A 15 -8.257 -5.420 -1.147 1.00 0.00 O ATOM 209 CB PHE A 15 -10.359 -7.618 -2.163 1.00 0.00 C ATOM 210 CG PHE A 15 -10.765 -8.925 -2.797 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.638 -9.106 -4.176 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.242 -9.962 -1.991 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.996 -10.328 -4.752 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.598 -11.183 -2.564 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.477 -11.370 -3.947 1.00 0.00 C ATOM 0 H PHE A 15 -8.640 -9.425 -2.092 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.757 -6.697 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.528 -7.658 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.976 -6.808 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.264 -8.304 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.335 -9.818 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.902 -10.470 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.967 -11.984 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.754 -12.314 -4.392 1.00 0.00 H new ATOM 225 N LEU A 16 -7.701 -7.382 -0.328 1.00 0.00 N ATOM 226 CA LEU A 16 -7.084 -6.742 0.872 1.00 0.00 C ATOM 227 C LEU A 16 -5.807 -6.010 0.471 1.00 0.00 C ATOM 228 O LEU A 16 -5.511 -4.940 0.960 1.00 0.00 O ATOM 229 CB LEU A 16 -6.780 -7.890 1.835 1.00 0.00 C ATOM 230 CG LEU A 16 -7.252 -7.513 3.240 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.410 -6.350 3.764 1.00 0.00 C ATOM 232 CD2 LEU A 16 -8.724 -7.095 3.186 1.00 0.00 C ATOM 0 H LEU A 16 -7.657 -8.401 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.741 -6.004 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.280 -8.800 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.710 -8.099 1.843 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.141 -8.370 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.745 -6.080 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.362 -6.647 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.521 -5.492 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.063 -6.826 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.835 -6.237 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.324 -7.924 2.811 1.00 0.00 H new ATOM 244 N VAL A 17 -5.055 -6.570 -0.429 1.00 0.00 N ATOM 245 CA VAL A 17 -3.808 -5.895 -0.875 1.00 0.00 C ATOM 246 C VAL A 17 -4.136 -4.946 -2.027 1.00 0.00 C ATOM 247 O VAL A 17 -3.505 -3.924 -2.208 1.00 0.00 O ATOM 248 CB VAL A 17 -2.892 -7.024 -1.342 1.00 0.00 C ATOM 249 CG1 VAL A 17 -1.476 -6.487 -1.541 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.874 -8.130 -0.283 1.00 0.00 C ATOM 0 H VAL A 17 -5.249 -7.466 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.339 -5.303 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.261 -7.425 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.824 -7.295 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.489 -5.697 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.103 -6.085 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.221 -8.938 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.504 -7.726 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.884 -8.514 -0.141 1.00 0.00 H new ATOM 260 N HIS A 18 -5.129 -5.284 -2.805 1.00 0.00 N ATOM 261 CA HIS A 18 -5.517 -4.418 -3.954 1.00 0.00 C ATOM 262 C HIS A 18 -6.397 -3.259 -3.487 1.00 0.00 C ATOM 263 O HIS A 18 -6.199 -2.125 -3.869 1.00 0.00 O ATOM 264 CB HIS A 18 -6.324 -5.329 -4.874 1.00 0.00 C ATOM 265 CG HIS A 18 -5.406 -6.299 -5.567 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.555 -6.628 -6.920 1.00 0.00 N ATOM 267 CD2 HIS A 18 -4.330 -7.032 -5.117 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.595 -7.523 -7.231 1.00 0.00 C ATOM 269 NE2 HIS A 18 -3.847 -7.784 -6.170 1.00 0.00 N ATOM 0 H HIS A 18 -5.691 -6.128 -2.693 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.645 -3.984 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.073 -5.872 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.861 -4.732 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.932 -7.021 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.456 -7.964 -8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.055 -8.426 -6.136 1.00 0.00 H new ATOM 277 N SER A 19 -7.387 -3.537 -2.688 1.00 0.00 N ATOM 278 CA SER A 19 -8.297 -2.448 -2.229 1.00 0.00 C ATOM 279 C SER A 19 -7.762 -1.755 -0.968 1.00 0.00 C ATOM 280 O SER A 19 -7.988 -0.580 -0.757 1.00 0.00 O ATOM 281 CB SER A 19 -9.624 -3.156 -1.942 1.00 0.00 C ATOM 282 OG SER A 19 -9.926 -3.056 -0.556 1.00 0.00 O ATOM 0 H SER A 19 -7.607 -4.467 -2.333 1.00 0.00 H new ATOM 0 HA SER A 19 -8.395 -1.659 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.423 -2.707 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.560 -4.204 -2.236 1.00 0.00 H new ATOM 0 HG SER A 19 -9.526 -3.813 -0.079 1.00 0.00 H new ATOM 288 N SER A 20 -7.072 -2.467 -0.123 1.00 0.00 N ATOM 289 CA SER A 20 -6.551 -1.836 1.125 1.00 0.00 C ATOM 290 C SER A 20 -5.136 -1.281 0.937 1.00 0.00 C ATOM 291 O SER A 20 -4.809 -0.233 1.447 1.00 0.00 O ATOM 292 CB SER A 20 -6.554 -2.950 2.170 1.00 0.00 C ATOM 293 OG SER A 20 -7.119 -2.460 3.379 1.00 0.00 O ATOM 0 H SER A 20 -6.846 -3.455 -0.240 1.00 0.00 H new ATOM 0 HA SER A 20 -7.167 -0.987 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.127 -3.803 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.537 -3.301 2.347 1.00 0.00 H new ATOM 0 HG SER A 20 -7.124 -3.174 4.051 1.00 0.00 H new