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 14 ASN : amide:sc= -0.0336 K(o=-1.8,f=-3!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -1.74 K(o=-1.8,f=-0.79) USER MOD Single : A 4 THR OG1 : rot -6:sc= 0.538 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 93:sc= 0.924 USER MOD Single : A 10 GLN : amide:sc= -2.01 K(o=-2,f=-0.028) USER MOD Single : A 19 SER OG : rot -67:sc= 1.02 USER MOD Single : A 20 SER OG : rot 96:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -7.321 -24.037 -0.032 1.00 0.00 N ATOM 50 CA THR A 4 -6.379 -23.911 1.108 1.00 0.00 C ATOM 51 C THR A 4 -6.358 -22.467 1.575 1.00 0.00 C ATOM 52 O THR A 4 -6.112 -21.563 0.805 1.00 0.00 O ATOM 53 CB THR A 4 -5.012 -24.320 0.553 1.00 0.00 C ATOM 54 OG1 THR A 4 -4.916 -23.926 -0.810 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.841 -25.837 0.664 1.00 0.00 C ATOM 0 HA THR A 4 -6.660 -24.531 1.959 1.00 0.00 H new ATOM 0 HB THR A 4 -4.227 -23.829 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.777 -23.565 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.867 -26.123 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.909 -26.135 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.625 -26.334 0.093 1.00 0.00 H new ATOM 63 N ALA A 5 -6.616 -22.246 2.832 1.00 0.00 N ATOM 64 CA ALA A 5 -6.604 -20.855 3.365 1.00 0.00 C ATOM 65 C ALA A 5 -5.434 -20.079 2.753 1.00 0.00 C ATOM 66 O ALA A 5 -5.467 -18.870 2.647 1.00 0.00 O ATOM 67 CB ALA A 5 -6.419 -21.005 4.876 1.00 0.00 C ATOM 0 H ALA A 5 -6.835 -22.970 3.516 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.516 -20.309 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.400 -20.019 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.245 -21.584 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.479 -21.519 5.078 1.00 0.00 H new ATOM 73 N THR A 6 -4.408 -20.770 2.326 1.00 0.00 N ATOM 74 CA THR A 6 -3.255 -20.065 1.699 1.00 0.00 C ATOM 75 C THR A 6 -3.710 -19.463 0.370 1.00 0.00 C ATOM 76 O THR A 6 -3.356 -18.356 0.025 1.00 0.00 O ATOM 77 CB THR A 6 -2.180 -21.139 1.487 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.921 -20.509 1.299 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.515 -21.983 0.256 1.00 0.00 C ATOM 0 H THR A 6 -4.321 -21.785 2.385 1.00 0.00 H new ATOM 0 HA THR A 6 -2.868 -19.251 2.312 1.00 0.00 H new ATOM 0 HB THR A 6 -2.144 -21.787 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.231 -21.191 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.746 -22.742 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.481 -22.468 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.558 -21.342 -0.624 1.00 0.00 H new ATOM 87 N CYS A 7 -4.526 -20.177 -0.360 1.00 0.00 N ATOM 88 CA CYS A 7 -5.045 -19.644 -1.649 1.00 0.00 C ATOM 89 C CYS A 7 -6.180 -18.676 -1.339 1.00 0.00 C ATOM 90 O CYS A 7 -6.223 -17.566 -1.830 1.00 0.00 O ATOM 91 CB CYS A 7 -5.568 -20.865 -2.404 1.00 0.00 C ATOM 92 SG CYS A 7 -6.047 -20.389 -4.089 1.00 0.00 S ATOM 0 H CYS A 7 -4.856 -21.111 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.294 -19.113 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.801 -21.638 -2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.424 -21.289 -1.879 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.489 -21.433 -4.726 1.00 0.00 H new ATOM 97 N ALA A 8 -7.084 -19.086 -0.492 1.00 0.00 N ATOM 98 CA ALA A 8 -8.202 -18.187 -0.107 1.00 0.00 C ATOM 99 C ALA A 8 -7.607 -16.913 0.484 1.00 0.00 C ATOM 100 O ALA A 8 -7.942 -15.816 0.089 1.00 0.00 O ATOM 101 CB ALA A 8 -8.998 -18.959 0.946 1.00 0.00 C ATOM 0 H ALA A 8 -7.094 -20.006 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.840 -17.905 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.843 -18.355 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.365 -19.890 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.355 -19.183 1.797 1.00 0.00 H new ATOM 107 N THR A 9 -6.691 -17.051 1.408 1.00 0.00 N ATOM 108 CA THR A 9 -6.051 -15.842 1.984 1.00 0.00 C ATOM 109 C THR A 9 -5.452 -15.041 0.831 1.00 0.00 C ATOM 110 O THR A 9 -5.528 -13.831 0.794 1.00 0.00 O ATOM 111 CB THR A 9 -4.956 -16.362 2.917 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.554 -16.960 4.058 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.061 -15.202 3.357 1.00 0.00 C ATOM 0 H THR A 9 -6.364 -17.942 1.782 1.00 0.00 H new ATOM 0 HA THR A 9 -6.742 -15.199 2.529 1.00 0.00 H new ATOM 0 HB THR A 9 -4.353 -17.102 2.391 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.661 -17.922 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.282 -15.575 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.602 -14.744 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.661 -14.459 3.883 1.00 0.00 H new ATOM 121 N GLN A 10 -4.874 -15.720 -0.127 1.00 0.00 N ATOM 122 CA GLN A 10 -4.295 -15.008 -1.293 1.00 0.00 C ATOM 123 C GLN A 10 -5.426 -14.408 -2.137 1.00 0.00 C ATOM 124 O GLN A 10 -5.232 -13.475 -2.894 1.00 0.00 O ATOM 125 CB GLN A 10 -3.538 -16.074 -2.087 1.00 0.00 C ATOM 126 CG GLN A 10 -2.191 -15.513 -2.551 1.00 0.00 C ATOM 127 CD GLN A 10 -1.159 -15.648 -1.426 1.00 0.00 C ATOM 128 OE1 GLN A 10 0.028 -15.554 -1.666 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.561 -15.866 -0.201 1.00 0.00 N ATOM 0 H GLN A 10 -4.781 -16.736 -0.147 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.637 -14.191 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.381 -16.958 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.128 -16.387 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.849 -16.048 -3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.300 -14.466 -2.833 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.557 -15.945 0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.878 -15.957 0.551 1.00 0.00 H new ATOM 138 N ARG A 11 -6.622 -14.905 -1.969 1.00 0.00 N ATOM 139 CA ARG A 11 -7.774 -14.341 -2.720 1.00 0.00 C ATOM 140 C ARG A 11 -8.286 -13.205 -1.868 1.00 0.00 C ATOM 141 O ARG A 11 -8.398 -12.065 -2.287 1.00 0.00 O ATOM 142 CB ARG A 11 -8.795 -15.481 -2.809 1.00 0.00 C ATOM 143 CG ARG A 11 -8.559 -16.287 -4.089 1.00 0.00 C ATOM 144 CD ARG A 11 -9.613 -15.913 -5.136 1.00 0.00 C ATOM 145 NE ARG A 11 -10.918 -16.317 -4.539 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.016 -16.215 -5.240 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.280 -17.091 -6.170 1.00 0.00 N ATOM 148 NH2 ARG A 11 -12.850 -15.237 -5.008 1.00 0.00 N ATOM 0 H ARG A 11 -6.848 -15.678 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.546 -13.974 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.707 -16.130 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.807 -15.077 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.560 -16.087 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.610 -17.354 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.592 -14.845 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.434 -16.431 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.954 -16.673 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.629 -17.856 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.137 -17.011 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.644 -14.553 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.707 -15.157 -5.555 1.00 0.00 H new ATOM 162 N LEU A 12 -8.511 -13.517 -0.634 1.00 0.00 N ATOM 163 CA LEU A 12 -8.919 -12.484 0.328 1.00 0.00 C ATOM 164 C LEU A 12 -7.856 -11.391 0.306 1.00 0.00 C ATOM 165 O LEU A 12 -8.126 -10.227 0.520 1.00 0.00 O ATOM 166 CB LEU A 12 -8.915 -13.223 1.661 1.00 0.00 C ATOM 167 CG LEU A 12 -10.307 -13.781 1.959 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.287 -14.506 3.308 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.318 -12.632 2.009 1.00 0.00 C ATOM 0 H LEU A 12 -8.428 -14.458 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.884 -12.019 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.188 -14.035 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.608 -12.547 2.459 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.594 -14.482 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.279 -14.904 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.568 -15.324 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.000 -13.806 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.310 -13.030 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.033 -11.930 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.331 -12.117 1.048 1.00 0.00 H new ATOM 181 N ALA A 13 -6.640 -11.776 0.018 1.00 0.00 N ATOM 182 CA ALA A 13 -5.533 -10.787 -0.058 1.00 0.00 C ATOM 183 C ALA A 13 -5.718 -9.946 -1.317 1.00 0.00 C ATOM 184 O ALA A 13 -5.291 -8.810 -1.400 1.00 0.00 O ATOM 185 CB ALA A 13 -4.258 -11.627 -0.149 1.00 0.00 C ATOM 0 H ALA A 13 -6.368 -12.741 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.500 -10.109 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.392 -10.968 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.174 -12.258 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.299 -12.255 -1.039 1.00 0.00 H new ATOM 191 N ASN A 14 -6.373 -10.508 -2.294 1.00 0.00 N ATOM 192 CA ASN A 14 -6.630 -9.773 -3.562 1.00 0.00 C ATOM 193 C ASN A 14 -7.417 -8.506 -3.254 1.00 0.00 C ATOM 194 O ASN A 14 -7.090 -7.430 -3.713 1.00 0.00 O ATOM 195 CB ASN A 14 -7.470 -10.730 -4.408 1.00 0.00 C ATOM 196 CG ASN A 14 -7.396 -10.316 -5.878 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.725 -9.362 -6.219 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.061 -10.996 -6.771 1.00 0.00 N ATOM 0 H ASN A 14 -6.745 -11.457 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.715 -9.478 -4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.107 -11.751 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.506 -10.718 -4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.017 -10.727 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.625 -11.797 -6.486 1.00 0.00 H new ATOM 205 N PHE A 15 -8.446 -8.624 -2.460 1.00 0.00 N ATOM 206 CA PHE A 15 -9.246 -7.420 -2.100 1.00 0.00 C ATOM 207 C PHE A 15 -8.477 -6.625 -1.056 1.00 0.00 C ATOM 208 O PHE A 15 -8.686 -5.448 -0.874 1.00 0.00 O ATOM 209 CB PHE A 15 -10.565 -7.928 -1.505 1.00 0.00 C ATOM 210 CG PHE A 15 -10.977 -9.214 -2.175 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.085 -9.274 -3.568 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.239 -10.348 -1.402 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.459 -10.467 -4.188 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.611 -11.544 -2.020 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.721 -11.607 -3.414 1.00 0.00 C ATOM 0 H PHE A 15 -8.766 -9.500 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.435 -6.781 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.451 -8.088 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.344 -7.176 -1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.879 -8.397 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.154 -10.300 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.547 -10.512 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.814 -12.420 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.007 -12.532 -3.893 1.00 0.00 H new ATOM 225 N LEU A 16 -7.572 -7.263 -0.372 1.00 0.00 N ATOM 226 CA LEU A 16 -6.784 -6.527 0.653 1.00 0.00 C ATOM 227 C LEU A 16 -5.887 -5.509 -0.041 1.00 0.00 C ATOM 228 O LEU A 16 -6.078 -4.319 0.078 1.00 0.00 O ATOM 229 CB LEU A 16 -5.949 -7.590 1.356 1.00 0.00 C ATOM 230 CG LEU A 16 -6.596 -7.952 2.696 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.053 -8.361 2.474 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.836 -9.118 3.332 1.00 0.00 C ATOM 0 H LEU A 16 -7.345 -8.252 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.412 -5.984 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.869 -8.477 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.936 -7.222 1.518 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.559 -7.086 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.509 -8.618 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.599 -7.532 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.091 -9.225 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.297 -9.376 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.871 -9.981 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.798 -8.829 3.497 1.00 0.00 H new ATOM 244 N VAL A 17 -4.916 -5.969 -0.776 1.00 0.00 N ATOM 245 CA VAL A 17 -4.011 -5.024 -1.485 1.00 0.00 C ATOM 246 C VAL A 17 -4.812 -4.124 -2.431 1.00 0.00 C ATOM 247 O VAL A 17 -4.403 -3.027 -2.744 1.00 0.00 O ATOM 248 CB VAL A 17 -3.054 -5.912 -2.281 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.204 -5.043 -3.209 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.138 -6.672 -1.318 1.00 0.00 C ATOM 0 H VAL A 17 -4.709 -6.958 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.483 -4.367 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.630 -6.623 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.522 -5.676 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.854 -4.502 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.630 -4.331 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.457 -7.304 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.563 -5.961 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.741 -7.293 -0.656 1.00 0.00 H new ATOM 260 N HIS A 18 -5.943 -4.582 -2.896 1.00 0.00 N ATOM 261 CA HIS A 18 -6.758 -3.752 -3.837 1.00 0.00 C ATOM 262 C HIS A 18 -7.726 -2.839 -3.078 1.00 0.00 C ATOM 263 O HIS A 18 -7.766 -1.644 -3.298 1.00 0.00 O ATOM 264 CB HIS A 18 -7.536 -4.766 -4.674 1.00 0.00 C ATOM 265 CG HIS A 18 -6.627 -5.351 -5.719 1.00 0.00 C ATOM 266 ND1 HIS A 18 -6.725 -5.005 -7.071 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.592 -6.256 -5.634 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.774 -5.692 -7.737 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.081 -6.449 -6.901 1.00 0.00 N ATOM 0 H HIS A 18 -6.340 -5.493 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.131 -3.098 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.930 -5.556 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.391 -4.284 -5.148 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.241 -6.733 -4.731 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.602 -5.633 -8.802 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.307 -7.065 -7.149 1.00 0.00 H new ATOM 277 N SER A 19 -8.513 -3.392 -2.198 1.00 0.00 N ATOM 278 CA SER A 19 -9.486 -2.556 -1.436 1.00 0.00 C ATOM 279 C SER A 19 -8.743 -1.634 -0.467 1.00 0.00 C ATOM 280 O SER A 19 -9.166 -0.525 -0.204 1.00 0.00 O ATOM 281 CB SER A 19 -10.370 -3.554 -0.682 1.00 0.00 C ATOM 282 OG SER A 19 -9.772 -3.862 0.569 1.00 0.00 O ATOM 0 H SER A 19 -8.526 -4.387 -1.972 1.00 0.00 H new ATOM 0 HA SER A 19 -10.078 -1.912 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.364 -3.133 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.496 -4.463 -1.271 1.00 0.00 H new ATOM 0 HG SER A 19 -8.941 -4.360 0.421 1.00 0.00 H new ATOM 288 N SER A 20 -7.631 -2.070 0.056 1.00 0.00 N ATOM 289 CA SER A 20 -6.868 -1.194 0.988 1.00 0.00 C ATOM 290 C SER A 20 -6.169 -0.101 0.186 1.00 0.00 C ATOM 291 O SER A 20 -6.127 1.046 0.583 1.00 0.00 O ATOM 292 CB SER A 20 -5.847 -2.099 1.676 1.00 0.00 C ATOM 293 OG SER A 20 -6.529 -3.008 2.530 1.00 0.00 O ATOM 0 H SER A 20 -7.220 -2.987 -0.119 1.00 0.00 H new ATOM 0 HA SER A 20 -7.511 -0.708 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.268 -2.645 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.142 -1.500 2.252 1.00 0.00 H new ATOM 0 HG SER A 20 -6.673 -3.855 2.058 1.00 0.00 H new