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 36:sc= 0.811 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 9 THR OG1 : rot 129:sc= 0.91 USER MOD Single : A 10 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.5!) USER MOD Single : A 14 ASN : amide:sc= 0.0102 X(o=0.01,f=-0.014) USER MOD Single : A 18 HIS : no HD1:sc=-0.00861 X(o=-0.0086,f=-0.13) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -128:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -8.165 -23.149 1.664 1.00 0.00 N ATOM 50 CA THR A 4 -6.763 -23.291 2.127 1.00 0.00 C ATOM 51 C THR A 4 -6.213 -21.911 2.464 1.00 0.00 C ATOM 52 O THR A 4 -6.123 -21.047 1.616 1.00 0.00 O ATOM 53 CB THR A 4 -6.016 -23.913 0.947 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.873 -24.820 0.271 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.785 -24.660 1.461 1.00 0.00 C ATOM 0 HA THR A 4 -6.664 -23.907 3.021 1.00 0.00 H new ATOM 0 HB THR A 4 -5.703 -23.128 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.791 -24.477 0.287 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.252 -25.104 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.127 -23.963 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.097 -25.446 2.149 1.00 0.00 H new ATOM 63 N ALA A 5 -5.851 -21.699 3.700 1.00 0.00 N ATOM 64 CA ALA A 5 -5.303 -20.373 4.110 1.00 0.00 C ATOM 65 C ALA A 5 -4.382 -19.826 3.018 1.00 0.00 C ATOM 66 O ALA A 5 -4.191 -18.634 2.890 1.00 0.00 O ATOM 67 CB ALA A 5 -4.512 -20.653 5.387 1.00 0.00 C ATOM 0 H ALA A 5 -5.911 -22.390 4.448 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.085 -19.631 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.075 -19.725 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.178 -21.065 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.718 -21.369 5.174 1.00 0.00 H new ATOM 73 N THR A 6 -3.812 -20.690 2.225 1.00 0.00 N ATOM 74 CA THR A 6 -2.908 -20.221 1.135 1.00 0.00 C ATOM 75 C THR A 6 -3.727 -19.632 -0.022 1.00 0.00 C ATOM 76 O THR A 6 -3.312 -18.693 -0.673 1.00 0.00 O ATOM 77 CB THR A 6 -2.151 -21.472 0.682 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.388 -21.167 -0.477 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.142 -22.593 0.360 1.00 0.00 C ATOM 0 H THR A 6 -3.932 -21.701 2.284 1.00 0.00 H new ATOM 0 HA THR A 6 -2.231 -19.436 1.470 1.00 0.00 H new ATOM 0 HB THR A 6 -1.488 -21.800 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.901 -21.966 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.596 -23.480 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.726 -22.829 1.250 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.811 -22.269 -0.438 1.00 0.00 H new ATOM 87 N CYS A 7 -4.890 -20.170 -0.277 1.00 0.00 N ATOM 88 CA CYS A 7 -5.738 -19.639 -1.382 1.00 0.00 C ATOM 89 C CYS A 7 -6.652 -18.541 -0.845 1.00 0.00 C ATOM 90 O CYS A 7 -6.585 -17.401 -1.262 1.00 0.00 O ATOM 91 CB CYS A 7 -6.549 -20.842 -1.866 1.00 0.00 C ATOM 92 SG CYS A 7 -7.921 -20.281 -2.906 1.00 0.00 S ATOM 0 H CYS A 7 -5.290 -20.957 0.234 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.155 -19.198 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.908 -21.521 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.933 -21.400 -1.012 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.604 -21.309 -3.315 1.00 0.00 H new ATOM 97 N ALA A 8 -7.496 -18.871 0.089 1.00 0.00 N ATOM 98 CA ALA A 8 -8.402 -17.840 0.668 1.00 0.00 C ATOM 99 C ALA A 8 -7.602 -16.573 0.955 1.00 0.00 C ATOM 100 O ALA A 8 -7.939 -15.499 0.500 1.00 0.00 O ATOM 101 CB ALA A 8 -8.925 -18.456 1.968 1.00 0.00 C ATOM 0 H ALA A 8 -7.599 -19.809 0.477 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.218 -17.568 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.602 -17.755 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.459 -19.380 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.087 -18.673 2.631 1.00 0.00 H new ATOM 107 N THR A 9 -6.539 -16.693 1.699 1.00 0.00 N ATOM 108 CA THR A 9 -5.709 -15.497 2.009 1.00 0.00 C ATOM 109 C THR A 9 -5.179 -14.875 0.714 1.00 0.00 C ATOM 110 O THR A 9 -5.188 -13.672 0.548 1.00 0.00 O ATOM 111 CB THR A 9 -4.556 -16.025 2.863 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.079 -16.779 3.948 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.742 -14.849 3.402 1.00 0.00 C ATOM 0 H THR A 9 -6.209 -17.568 2.106 1.00 0.00 H new ATOM 0 HA THR A 9 -6.275 -14.722 2.526 1.00 0.00 H new ATOM 0 HB THR A 9 -3.913 -16.662 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.639 -17.654 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.920 -15.224 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.342 -14.271 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.383 -14.212 4.011 1.00 0.00 H new ATOM 121 N GLN A 10 -4.713 -15.682 -0.204 1.00 0.00 N ATOM 122 CA GLN A 10 -4.185 -15.122 -1.474 1.00 0.00 C ATOM 123 C GLN A 10 -5.319 -14.504 -2.303 1.00 0.00 C ATOM 124 O GLN A 10 -5.097 -13.659 -3.150 1.00 0.00 O ATOM 125 CB GLN A 10 -3.577 -16.313 -2.214 1.00 0.00 C ATOM 126 CG GLN A 10 -3.130 -15.874 -3.610 1.00 0.00 C ATOM 127 CD GLN A 10 -4.271 -16.095 -4.604 1.00 0.00 C ATOM 128 OE1 GLN A 10 -4.791 -15.153 -5.172 1.00 0.00 O ATOM 129 NE2 GLN A 10 -4.684 -17.308 -4.845 1.00 0.00 N ATOM 0 H GLN A 10 -4.677 -16.698 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.455 -14.332 -1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.727 -16.706 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.308 -17.118 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.843 -14.823 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.251 -16.441 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.249 -18.099 -4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.442 -17.466 -5.509 1.00 0.00 H new ATOM 138 N ARG A 11 -6.536 -14.890 -2.042 1.00 0.00 N ATOM 139 CA ARG A 11 -7.672 -14.309 -2.801 1.00 0.00 C ATOM 140 C ARG A 11 -8.137 -13.108 -2.017 1.00 0.00 C ATOM 141 O ARG A 11 -8.273 -12.009 -2.514 1.00 0.00 O ATOM 142 CB ARG A 11 -8.725 -15.436 -2.834 1.00 0.00 C ATOM 143 CG ARG A 11 -10.106 -14.923 -2.393 1.00 0.00 C ATOM 144 CD ARG A 11 -11.218 -15.760 -3.041 1.00 0.00 C ATOM 145 NE ARG A 11 -10.675 -17.143 -3.146 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.265 -17.589 -4.301 1.00 0.00 C ATOM 147 NH1 ARG A 11 -11.100 -17.672 -5.300 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.018 -17.943 -4.460 1.00 0.00 N ATOM 0 H ARG A 11 -6.791 -15.582 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.445 -13.982 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.792 -15.845 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.411 -16.249 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.190 -14.973 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.219 -13.876 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.125 -15.741 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.481 -15.367 -4.023 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.624 -17.738 -2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.072 -17.388 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.781 -18.021 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.364 -17.871 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.698 -18.292 -5.364 1.00 0.00 H new ATOM 162 N LEU A 12 -8.340 -13.339 -0.769 1.00 0.00 N ATOM 163 CA LEU A 12 -8.755 -12.269 0.142 1.00 0.00 C ATOM 164 C LEU A 12 -7.714 -11.157 0.118 1.00 0.00 C ATOM 165 O LEU A 12 -8.033 -9.985 0.127 1.00 0.00 O ATOM 166 CB LEU A 12 -8.776 -12.985 1.479 1.00 0.00 C ATOM 167 CG LEU A 12 -10.103 -13.727 1.633 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.869 -15.035 2.389 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.089 -12.851 2.405 1.00 0.00 C ATOM 0 H LEU A 12 -8.232 -14.253 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.707 -11.797 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.944 -13.687 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.650 -12.268 2.291 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.515 -13.949 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.815 -15.565 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.167 -15.656 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.458 -14.817 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.036 -13.379 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.682 -12.627 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.254 -11.921 1.860 1.00 0.00 H new ATOM 181 N ALA A 13 -6.466 -11.522 0.071 1.00 0.00 N ATOM 182 CA ALA A 13 -5.392 -10.497 0.028 1.00 0.00 C ATOM 183 C ALA A 13 -5.482 -9.722 -1.284 1.00 0.00 C ATOM 184 O ALA A 13 -5.213 -8.539 -1.343 1.00 0.00 O ATOM 185 CB ALA A 13 -4.085 -11.283 0.101 1.00 0.00 C ATOM 0 H ALA A 13 -6.143 -12.489 0.060 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.469 -9.774 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.243 -10.592 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.056 -11.855 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.022 -11.964 -0.748 1.00 0.00 H new ATOM 191 N ASN A 14 -5.871 -10.383 -2.337 1.00 0.00 N ATOM 192 CA ASN A 14 -5.994 -9.686 -3.646 1.00 0.00 C ATOM 193 C ASN A 14 -6.938 -8.494 -3.498 1.00 0.00 C ATOM 194 O ASN A 14 -6.666 -7.406 -3.968 1.00 0.00 O ATOM 195 CB ASN A 14 -6.584 -10.725 -4.597 1.00 0.00 C ATOM 196 CG ASN A 14 -6.162 -10.400 -6.031 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.003 -10.514 -6.376 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.061 -9.996 -6.885 1.00 0.00 N ATOM 0 H ASN A 14 -6.109 -11.375 -2.348 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.041 -9.305 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.240 -11.722 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.671 -10.730 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.791 -9.775 -7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.034 -9.901 -6.594 1.00 0.00 H new ATOM 205 N PHE A 15 -8.045 -8.687 -2.836 1.00 0.00 N ATOM 206 CA PHE A 15 -9.001 -7.560 -2.650 1.00 0.00 C ATOM 207 C PHE A 15 -8.581 -6.754 -1.427 1.00 0.00 C ATOM 208 O PHE A 15 -8.955 -5.610 -1.265 1.00 0.00 O ATOM 209 CB PHE A 15 -10.382 -8.196 -2.414 1.00 0.00 C ATOM 210 CG PHE A 15 -10.479 -9.523 -3.127 1.00 0.00 C ATOM 211 CD1 PHE A 15 -9.932 -9.673 -4.407 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.102 -10.607 -2.501 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.009 -10.906 -5.060 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.181 -11.840 -3.153 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.634 -11.991 -4.433 1.00 0.00 C ATOM 0 H PHE A 15 -8.328 -9.573 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.022 -6.894 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.547 -8.337 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.164 -7.526 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.450 -8.836 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.522 -10.491 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.587 -11.022 -6.047 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.664 -12.677 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.694 -12.944 -4.937 1.00 0.00 H new ATOM 225 N LEU A 16 -7.801 -7.343 -0.561 1.00 0.00 N ATOM 226 CA LEU A 16 -7.362 -6.597 0.653 1.00 0.00 C ATOM 227 C LEU A 16 -6.456 -5.432 0.247 1.00 0.00 C ATOM 228 O LEU A 16 -6.685 -4.298 0.615 1.00 0.00 O ATOM 229 CB LEU A 16 -6.596 -7.611 1.500 1.00 0.00 C ATOM 230 CG LEU A 16 -7.017 -7.468 2.963 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.427 -8.035 3.142 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.042 -8.240 3.855 1.00 0.00 C ATOM 0 H LEU A 16 -7.452 -8.298 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.201 -6.173 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.799 -8.623 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.523 -7.448 1.401 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.007 -6.415 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.730 -7.934 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.123 -7.487 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.434 -9.088 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.343 -8.137 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.051 -9.294 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.036 -7.839 3.727 1.00 0.00 H new ATOM 244 N VAL A 17 -5.434 -5.700 -0.515 1.00 0.00 N ATOM 245 CA VAL A 17 -4.520 -4.605 -0.947 1.00 0.00 C ATOM 246 C VAL A 17 -5.210 -3.716 -1.985 1.00 0.00 C ATOM 247 O VAL A 17 -4.949 -2.533 -2.075 1.00 0.00 O ATOM 248 CB VAL A 17 -3.318 -5.313 -1.569 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.200 -4.299 -1.817 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.816 -6.403 -0.619 1.00 0.00 C ATOM 0 H VAL A 17 -5.191 -6.629 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.231 -3.960 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.615 -5.766 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.342 -4.804 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.556 -3.524 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.904 -3.845 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.958 -6.907 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.520 -5.952 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.612 -7.127 -0.443 1.00 0.00 H new ATOM 260 N HIS A 18 -6.089 -4.275 -2.773 1.00 0.00 N ATOM 261 CA HIS A 18 -6.786 -3.458 -3.807 1.00 0.00 C ATOM 262 C HIS A 18 -8.072 -2.851 -3.246 1.00 0.00 C ATOM 263 O HIS A 18 -8.197 -1.650 -3.111 1.00 0.00 O ATOM 264 CB HIS A 18 -7.116 -4.442 -4.928 1.00 0.00 C ATOM 265 CG HIS A 18 -5.982 -4.478 -5.913 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.593 -3.354 -6.652 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.140 -5.494 -6.298 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.557 -3.721 -7.436 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.266 -4.999 -7.244 1.00 0.00 N ATOM 0 H HIS A 18 -6.354 -5.260 -2.745 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.169 -2.627 -4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.285 -5.437 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.037 -4.144 -5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.159 -6.507 -5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.040 -3.066 -8.122 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.527 -5.524 -7.712 1.00 0.00 H new ATOM 277 N SER A 19 -9.033 -3.673 -2.937 1.00 0.00 N ATOM 278 CA SER A 19 -10.326 -3.146 -2.405 1.00 0.00 C ATOM 279 C SER A 19 -10.095 -2.183 -1.234 1.00 0.00 C ATOM 280 O SER A 19 -10.929 -1.351 -0.939 1.00 0.00 O ATOM 281 CB SER A 19 -11.097 -4.380 -1.936 1.00 0.00 C ATOM 282 OG SER A 19 -12.493 -4.137 -2.055 1.00 0.00 O ATOM 0 H SER A 19 -8.983 -4.688 -3.028 1.00 0.00 H new ATOM 0 HA SER A 19 -10.869 -2.581 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.815 -5.247 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.843 -4.610 -0.901 1.00 0.00 H new ATOM 0 HG SER A 19 -12.989 -4.927 -1.756 1.00 0.00 H new ATOM 288 N SER A 20 -8.986 -2.289 -0.555 1.00 0.00 N ATOM 289 CA SER A 20 -8.744 -1.373 0.599 1.00 0.00 C ATOM 290 C SER A 20 -8.011 -0.101 0.160 1.00 0.00 C ATOM 291 O SER A 20 -8.378 0.995 0.535 1.00 0.00 O ATOM 292 CB SER A 20 -7.887 -2.175 1.576 1.00 0.00 C ATOM 293 OG SER A 20 -6.521 -2.064 1.203 1.00 0.00 O ATOM 0 H SER A 20 -8.243 -2.962 -0.745 1.00 0.00 H new ATOM 0 HA SER A 20 -9.681 -1.043 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.030 -1.805 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.193 -3.221 1.572 1.00 0.00 H new ATOM 0 HG SER A 20 -6.129 -2.959 1.125 1.00 0.00 H new