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 24:sc= 0.717 USER MOD Single : A 6 THR OG1 : rot 134:sc= 0.261! USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0084) USER MOD Single : A 14 ASN : amide:sc= -0.319 K(o=-0.32,f=-2!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0531 X(o=-0.053,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 -7.736 -22.545 2.833 1.00 0.00 N ATOM 50 CA THR A 4 -8.333 -21.227 3.147 1.00 0.00 C ATOM 51 C THR A 4 -7.247 -20.201 3.405 1.00 0.00 C ATOM 52 O THR A 4 -6.878 -19.459 2.521 1.00 0.00 O ATOM 53 CB THR A 4 -9.239 -21.434 4.365 1.00 0.00 C ATOM 54 OG1 THR A 4 -9.848 -22.715 4.288 1.00 0.00 O ATOM 55 CG2 THR A 4 -10.323 -20.353 4.382 1.00 0.00 C ATOM 0 HA THR A 4 -8.918 -20.841 2.312 1.00 0.00 H new ATOM 0 HB THR A 4 -8.646 -21.368 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.297 -23.306 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.969 -20.499 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.856 -19.370 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.918 -20.420 3.471 1.00 0.00 H new ATOM 63 N ALA A 5 -6.703 -20.156 4.579 1.00 0.00 N ATOM 64 CA ALA A 5 -5.626 -19.172 4.831 1.00 0.00 C ATOM 65 C ALA A 5 -4.654 -19.163 3.649 1.00 0.00 C ATOM 66 O ALA A 5 -3.956 -18.202 3.420 1.00 0.00 O ATOM 67 CB ALA A 5 -4.926 -19.676 6.091 1.00 0.00 C ATOM 0 H ALA A 5 -6.953 -20.751 5.369 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.002 -18.156 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.110 -19.001 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.640 -19.713 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.527 -20.674 5.911 1.00 0.00 H new ATOM 73 N THR A 6 -4.619 -20.223 2.882 1.00 0.00 N ATOM 74 CA THR A 6 -3.683 -20.260 1.721 1.00 0.00 C ATOM 75 C THR A 6 -4.367 -19.739 0.465 1.00 0.00 C ATOM 76 O THR A 6 -4.274 -18.578 0.124 1.00 0.00 O ATOM 77 CB THR A 6 -3.310 -21.732 1.553 1.00 0.00 C ATOM 78 OG1 THR A 6 -4.480 -22.486 1.271 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.664 -22.248 2.840 1.00 0.00 C ATOM 0 H THR A 6 -5.193 -21.057 3.009 1.00 0.00 H new ATOM 0 HA THR A 6 -2.807 -19.633 1.886 1.00 0.00 H new ATOM 0 HB THR A 6 -2.604 -21.836 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.304 -23.096 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.399 -23.298 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.765 -21.669 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.367 -22.145 3.667 1.00 0.00 H new ATOM 87 N CYS A 7 -5.055 -20.597 -0.226 1.00 0.00 N ATOM 88 CA CYS A 7 -5.751 -20.165 -1.465 1.00 0.00 C ATOM 89 C CYS A 7 -6.684 -19.001 -1.149 1.00 0.00 C ATOM 90 O CYS A 7 -6.929 -18.146 -1.979 1.00 0.00 O ATOM 91 CB CYS A 7 -6.551 -21.385 -1.907 1.00 0.00 C ATOM 92 SG CYS A 7 -5.535 -22.426 -2.991 1.00 0.00 S ATOM 0 H CYS A 7 -5.166 -21.582 0.014 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.062 -19.827 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.872 -21.956 -1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.453 -21.069 -2.431 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.222 -23.465 -3.363 1.00 0.00 H new ATOM 97 N ALA A 8 -7.210 -18.953 0.045 1.00 0.00 N ATOM 98 CA ALA A 8 -8.124 -17.833 0.384 1.00 0.00 C ATOM 99 C ALA A 8 -7.325 -16.550 0.599 1.00 0.00 C ATOM 100 O ALA A 8 -7.539 -15.572 -0.083 1.00 0.00 O ATOM 101 CB ALA A 8 -8.855 -18.221 1.665 1.00 0.00 C ATOM 0 H ALA A 8 -7.048 -19.632 0.789 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.833 -17.652 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.539 -17.422 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.419 -19.139 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.130 -18.380 2.464 1.00 0.00 H new ATOM 107 N THR A 9 -6.401 -16.532 1.532 1.00 0.00 N ATOM 108 CA THR A 9 -5.632 -15.278 1.739 1.00 0.00 C ATOM 109 C THR A 9 -5.085 -14.785 0.401 1.00 0.00 C ATOM 110 O THR A 9 -4.868 -13.611 0.214 1.00 0.00 O ATOM 111 CB THR A 9 -4.501 -15.628 2.712 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.092 -14.448 3.391 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.307 -16.216 1.954 1.00 0.00 C ATOM 0 H THR A 9 -6.155 -17.313 2.141 1.00 0.00 H new ATOM 0 HA THR A 9 -6.250 -14.477 2.145 1.00 0.00 H new ATOM 0 HB THR A 9 -4.862 -16.367 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.369 -14.664 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.512 -16.459 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.618 -17.121 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.940 -15.487 1.231 1.00 0.00 H new ATOM 121 N GLN A 10 -4.860 -15.673 -0.534 1.00 0.00 N ATOM 122 CA GLN A 10 -4.331 -15.233 -1.852 1.00 0.00 C ATOM 123 C GLN A 10 -5.409 -14.467 -2.629 1.00 0.00 C ATOM 124 O GLN A 10 -5.139 -13.490 -3.313 1.00 0.00 O ATOM 125 CB GLN A 10 -3.957 -16.526 -2.580 1.00 0.00 C ATOM 126 CG GLN A 10 -3.349 -16.195 -3.946 1.00 0.00 C ATOM 127 CD GLN A 10 -1.824 -16.184 -3.835 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.132 -16.547 -4.765 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.268 -15.782 -2.728 1.00 0.00 N ATOM 0 H GLN A 10 -5.020 -16.676 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.478 -14.561 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.245 -17.097 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.841 -17.151 -2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.665 -16.931 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.706 -15.224 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.849 -15.477 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.252 -15.772 -2.642 1.00 0.00 H new ATOM 138 N ARG A 11 -6.638 -14.875 -2.493 1.00 0.00 N ATOM 139 CA ARG A 11 -7.737 -14.168 -3.196 1.00 0.00 C ATOM 140 C ARG A 11 -8.184 -13.061 -2.273 1.00 0.00 C ATOM 141 O ARG A 11 -8.425 -11.934 -2.664 1.00 0.00 O ATOM 142 CB ARG A 11 -8.823 -15.231 -3.387 1.00 0.00 C ATOM 143 CG ARG A 11 -10.201 -14.573 -3.458 1.00 0.00 C ATOM 144 CD ARG A 11 -11.243 -15.616 -3.867 1.00 0.00 C ATOM 145 NE ARG A 11 -11.090 -16.721 -2.880 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.866 -17.939 -3.291 1.00 0.00 C ATOM 147 NH1 ARG A 11 -11.711 -18.522 -4.097 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.796 -18.575 -2.897 1.00 0.00 N ATOM 0 H ARG A 11 -6.928 -15.670 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.472 -13.730 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.634 -15.794 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.794 -15.943 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.461 -14.143 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.188 -13.754 -4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.250 -15.200 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.071 -15.968 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.160 -16.525 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.547 -18.025 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.536 -19.474 -4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.135 -18.120 -2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.621 -19.527 -3.218 1.00 0.00 H new ATOM 162 N LEU A 12 -8.224 -13.385 -1.025 1.00 0.00 N ATOM 163 CA LEU A 12 -8.573 -12.391 -0.005 1.00 0.00 C ATOM 164 C LEU A 12 -7.490 -11.315 -0.002 1.00 0.00 C ATOM 165 O LEU A 12 -7.721 -10.178 0.358 1.00 0.00 O ATOM 166 CB LEU A 12 -8.548 -13.194 1.289 1.00 0.00 C ATOM 167 CG LEU A 12 -9.943 -13.747 1.587 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.894 -12.591 1.897 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.458 -14.519 0.369 1.00 0.00 C ATOM 0 H LEU A 12 -8.025 -14.318 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.531 -11.894 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.833 -14.013 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.214 -12.563 2.112 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.892 -14.416 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.888 -12.985 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.528 -12.042 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.945 -11.921 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.452 -14.913 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.509 -13.851 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.780 -15.344 0.148 1.00 0.00 H new ATOM 181 N ALA A 13 -6.302 -11.679 -0.421 1.00 0.00 N ATOM 182 CA ALA A 13 -5.180 -10.699 -0.467 1.00 0.00 C ATOM 183 C ALA A 13 -5.462 -9.645 -1.528 1.00 0.00 C ATOM 184 O ALA A 13 -5.258 -8.465 -1.326 1.00 0.00 O ATOM 185 CB ALA A 13 -3.944 -11.512 -0.852 1.00 0.00 C ATOM 0 H ALA A 13 -6.063 -12.620 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.046 -10.184 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.077 -10.853 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.768 -12.284 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.104 -11.980 -1.823 1.00 0.00 H new ATOM 191 N ASN A 14 -5.935 -10.071 -2.662 1.00 0.00 N ATOM 192 CA ASN A 14 -6.245 -9.105 -3.752 1.00 0.00 C ATOM 193 C ASN A 14 -7.228 -8.052 -3.241 1.00 0.00 C ATOM 194 O ASN A 14 -7.089 -6.872 -3.501 1.00 0.00 O ATOM 195 CB ASN A 14 -6.885 -9.946 -4.854 1.00 0.00 C ATOM 196 CG ASN A 14 -6.667 -9.267 -6.207 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.687 -8.576 -6.403 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.547 -9.436 -7.156 1.00 0.00 N ATOM 0 H ASN A 14 -6.122 -11.049 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.361 -8.576 -4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.450 -10.945 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.951 -10.065 -4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.412 -8.988 -8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.370 -10.016 -6.991 1.00 0.00 H new ATOM 205 N PHE A 15 -8.219 -8.473 -2.506 1.00 0.00 N ATOM 206 CA PHE A 15 -9.211 -7.508 -1.965 1.00 0.00 C ATOM 207 C PHE A 15 -8.688 -6.962 -0.642 1.00 0.00 C ATOM 208 O PHE A 15 -9.184 -5.986 -0.121 1.00 0.00 O ATOM 209 CB PHE A 15 -10.508 -8.303 -1.746 1.00 0.00 C ATOM 210 CG PHE A 15 -10.598 -9.435 -2.744 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.200 -9.233 -4.071 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.064 -10.688 -2.336 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.265 -10.284 -4.989 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.133 -11.740 -3.253 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.733 -11.539 -4.582 1.00 0.00 C ATOM 0 H PHE A 15 -8.384 -9.448 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.385 -6.668 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.534 -8.700 -0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.370 -7.644 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.842 -8.264 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.371 -10.843 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.955 -10.128 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.494 -12.708 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.786 -12.352 -5.291 1.00 0.00 H new ATOM 225 N LEU A 16 -7.672 -7.580 -0.096 1.00 0.00 N ATOM 226 CA LEU A 16 -7.115 -7.072 1.189 1.00 0.00 C ATOM 227 C LEU A 16 -6.423 -5.739 0.936 1.00 0.00 C ATOM 228 O LEU A 16 -6.537 -4.811 1.707 1.00 0.00 O ATOM 229 CB LEU A 16 -6.108 -8.122 1.647 1.00 0.00 C ATOM 230 CG LEU A 16 -6.431 -8.553 3.077 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.442 -9.699 3.045 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.150 -9.023 3.771 1.00 0.00 C ATOM 0 H LEU A 16 -7.210 -8.404 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.884 -6.912 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.138 -8.984 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.097 -7.717 1.598 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.852 -7.710 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.674 -10.008 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.354 -9.366 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.020 -10.542 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.381 -9.330 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.729 -9.867 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.427 -8.207 3.792 1.00 0.00 H new ATOM 244 N VAL A 17 -5.718 -5.630 -0.156 1.00 0.00 N ATOM 245 CA VAL A 17 -5.036 -4.346 -0.466 1.00 0.00 C ATOM 246 C VAL A 17 -6.045 -3.374 -1.077 1.00 0.00 C ATOM 247 O VAL A 17 -5.969 -2.178 -0.884 1.00 0.00 O ATOM 248 CB VAL A 17 -3.947 -4.695 -1.481 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.129 -3.443 -1.799 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.029 -5.768 -0.894 1.00 0.00 C ATOM 0 H VAL A 17 -5.586 -6.372 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.614 -3.873 0.421 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.407 -5.071 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.352 -3.690 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.783 -2.677 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.668 -3.068 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.252 -6.018 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.568 -5.392 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.612 -6.660 -0.665 1.00 0.00 H new ATOM 260 N HIS A 18 -6.992 -3.886 -1.814 1.00 0.00 N ATOM 261 CA HIS A 18 -8.011 -2.999 -2.441 1.00 0.00 C ATOM 262 C HIS A 18 -9.111 -2.653 -1.436 1.00 0.00 C ATOM 263 O HIS A 18 -9.479 -1.506 -1.277 1.00 0.00 O ATOM 264 CB HIS A 18 -8.583 -3.812 -3.601 1.00 0.00 C ATOM 265 CG HIS A 18 -7.636 -3.746 -4.765 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.027 -4.074 -6.068 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.308 -3.387 -4.847 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.953 -3.908 -6.869 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.910 -3.498 -6.163 1.00 0.00 N ATOM 0 H HIS A 18 -7.104 -4.881 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.582 -2.054 -2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.732 -4.848 -3.296 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.559 -3.421 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.686 -3.073 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.945 -4.085 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.978 -3.300 -6.528 1.00 0.00 H new ATOM 277 N SER A 19 -9.646 -3.634 -0.763 1.00 0.00 N ATOM 278 CA SER A 19 -10.730 -3.349 0.224 1.00 0.00 C ATOM 279 C SER A 19 -10.171 -2.625 1.451 1.00 0.00 C ATOM 280 O SER A 19 -10.687 -1.609 1.873 1.00 0.00 O ATOM 281 CB SER A 19 -11.284 -4.718 0.615 1.00 0.00 C ATOM 282 OG SER A 19 -12.603 -4.562 1.121 1.00 0.00 O ATOM 0 H SER A 19 -9.383 -4.615 -0.851 1.00 0.00 H new ATOM 0 HA SER A 19 -11.499 -2.701 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.290 -5.382 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.645 -5.180 1.368 1.00 0.00 H new ATOM 0 HG SER A 19 -12.963 -5.438 1.372 1.00 0.00 H new ATOM 288 N SER A 20 -9.125 -3.142 2.031 1.00 0.00 N ATOM 289 CA SER A 20 -8.538 -2.485 3.237 1.00 0.00 C ATOM 290 C SER A 20 -8.059 -1.073 2.893 1.00 0.00 C ATOM 291 O SER A 20 -8.206 -0.152 3.671 1.00 0.00 O ATOM 292 CB SER A 20 -7.361 -3.370 3.645 1.00 0.00 C ATOM 293 OG SER A 20 -7.069 -3.157 5.021 1.00 0.00 O ATOM 0 H SER A 20 -8.649 -3.991 1.724 1.00 0.00 H new ATOM 0 HA SER A 20 -9.265 -2.384 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.602 -4.419 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.488 -3.138 3.036 1.00 0.00 H new ATOM 0 HG SER A 20 -6.316 -3.724 5.287 1.00 0.00 H new