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 174:sc= -2.69! 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 94:sc= 1.14 USER MOD Single : A 10 GLN : amide:sc= -0.703 K(o=-0.7,f=-0.00056) USER MOD Single : A 14 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.5!) 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 -94:sc= -0.636 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -9.527 -23.378 -0.259 1.00 0.00 N ATOM 50 CA THR A 4 -8.428 -23.595 0.706 1.00 0.00 C ATOM 51 C THR A 4 -7.958 -22.261 1.267 1.00 0.00 C ATOM 52 O THR A 4 -7.455 -21.416 0.561 1.00 0.00 O ATOM 53 CB THR A 4 -7.323 -24.285 -0.098 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.144 -24.357 0.688 1.00 0.00 O ATOM 55 CG2 THR A 4 -7.043 -23.500 -1.381 1.00 0.00 C ATOM 0 HA THR A 4 -8.732 -24.200 1.560 1.00 0.00 H new ATOM 0 HB THR A 4 -7.645 -25.292 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.466 -24.883 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.256 -23.997 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.950 -23.453 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.724 -22.489 -1.127 1.00 0.00 H new ATOM 63 N ALA A 5 -8.128 -22.071 2.542 1.00 0.00 N ATOM 64 CA ALA A 5 -7.696 -20.797 3.181 1.00 0.00 C ATOM 65 C ALA A 5 -6.358 -20.344 2.589 1.00 0.00 C ATOM 66 O ALA A 5 -6.049 -19.169 2.563 1.00 0.00 O ATOM 67 CB ALA A 5 -7.543 -21.130 4.666 1.00 0.00 C ATOM 0 H ALA A 5 -8.551 -22.749 3.176 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.408 -19.987 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.226 -20.239 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.498 -21.474 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.796 -21.914 4.788 1.00 0.00 H new ATOM 73 N THR A 6 -5.571 -21.261 2.089 1.00 0.00 N ATOM 74 CA THR A 6 -4.272 -20.861 1.476 1.00 0.00 C ATOM 75 C THR A 6 -4.573 -20.005 0.247 1.00 0.00 C ATOM 76 O THR A 6 -3.935 -19.001 -0.003 1.00 0.00 O ATOM 77 CB THR A 6 -3.572 -22.177 1.096 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.171 -21.954 1.006 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.092 -22.689 -0.250 1.00 0.00 C ATOM 0 H THR A 6 -5.770 -22.261 2.079 1.00 0.00 H new ATOM 0 HA THR A 6 -3.636 -20.276 2.140 1.00 0.00 H new ATOM 0 HB THR A 6 -3.782 -22.924 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.721 -22.791 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.587 -23.621 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.166 -22.865 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.894 -21.946 -1.023 1.00 0.00 H new ATOM 87 N CYS A 7 -5.579 -20.382 -0.495 1.00 0.00 N ATOM 88 CA CYS A 7 -5.980 -19.587 -1.682 1.00 0.00 C ATOM 89 C CYS A 7 -7.005 -18.549 -1.232 1.00 0.00 C ATOM 90 O CYS A 7 -7.058 -17.445 -1.736 1.00 0.00 O ATOM 91 CB CYS A 7 -6.611 -20.587 -2.652 1.00 0.00 C ATOM 92 SG CYS A 7 -6.919 -19.759 -4.236 1.00 0.00 S ATOM 0 H CYS A 7 -6.143 -21.215 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.147 -19.065 -2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.949 -21.441 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.544 -20.973 -2.241 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.454 -20.601 -5.069 1.00 0.00 H new ATOM 97 N ALA A 8 -7.801 -18.897 -0.254 1.00 0.00 N ATOM 98 CA ALA A 8 -8.805 -17.934 0.271 1.00 0.00 C ATOM 99 C ALA A 8 -8.060 -16.785 0.934 1.00 0.00 C ATOM 100 O ALA A 8 -8.300 -15.632 0.652 1.00 0.00 O ATOM 101 CB ALA A 8 -9.624 -18.718 1.298 1.00 0.00 C ATOM 0 H ALA A 8 -7.796 -19.809 0.202 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.451 -17.519 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.386 -18.068 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.103 -19.567 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.966 -19.079 2.089 1.00 0.00 H new ATOM 107 N THR A 9 -7.125 -17.093 1.787 1.00 0.00 N ATOM 108 CA THR A 9 -6.335 -16.014 2.427 1.00 0.00 C ATOM 109 C THR A 9 -5.635 -15.229 1.322 1.00 0.00 C ATOM 110 O THR A 9 -5.543 -14.017 1.360 1.00 0.00 O ATOM 111 CB THR A 9 -5.317 -16.731 3.317 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.997 -17.407 4.366 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.346 -15.709 3.909 1.00 0.00 C ATOM 0 H THR A 9 -6.876 -18.042 2.066 1.00 0.00 H new ATOM 0 HA THR A 9 -6.937 -15.319 3.012 1.00 0.00 H new ATOM 0 HB THR A 9 -4.760 -17.455 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.173 -18.333 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.621 -16.220 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.824 -15.194 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.900 -14.983 4.504 1.00 0.00 H new ATOM 121 N GLN A 10 -5.155 -15.921 0.318 1.00 0.00 N ATOM 122 CA GLN A 10 -4.480 -15.229 -0.808 1.00 0.00 C ATOM 123 C GLN A 10 -5.529 -14.548 -1.693 1.00 0.00 C ATOM 124 O GLN A 10 -5.244 -13.609 -2.415 1.00 0.00 O ATOM 125 CB GLN A 10 -3.755 -16.331 -1.581 1.00 0.00 C ATOM 126 CG GLN A 10 -2.244 -16.179 -1.393 1.00 0.00 C ATOM 127 CD GLN A 10 -1.559 -17.526 -1.631 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.464 -17.756 -1.157 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.160 -18.431 -2.353 1.00 0.00 N ATOM 0 H GLN A 10 -5.205 -16.936 0.235 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.788 -14.457 -0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.079 -17.310 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.008 -16.274 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.854 -15.434 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.027 -15.822 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.079 -18.238 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.711 -19.331 -2.520 1.00 0.00 H new ATOM 138 N ARG A 11 -6.756 -14.984 -1.599 1.00 0.00 N ATOM 139 CA ARG A 11 -7.835 -14.341 -2.393 1.00 0.00 C ATOM 140 C ARG A 11 -8.284 -13.159 -1.573 1.00 0.00 C ATOM 141 O ARG A 11 -8.465 -12.057 -2.049 1.00 0.00 O ATOM 142 CB ARG A 11 -8.942 -15.392 -2.510 1.00 0.00 C ATOM 143 CG ARG A 11 -8.820 -16.115 -3.851 1.00 0.00 C ATOM 144 CD ARG A 11 -9.260 -15.177 -4.976 1.00 0.00 C ATOM 145 NE ARG A 11 -8.065 -15.052 -5.857 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.886 -15.893 -6.838 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.864 -16.149 -7.665 1.00 0.00 N ATOM 148 NH2 ARG A 11 -6.730 -16.479 -6.994 1.00 0.00 N ATOM 0 H ARG A 11 -7.055 -15.758 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.542 -14.008 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.867 -16.107 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.919 -14.916 -2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.791 -16.435 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.437 -17.014 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.112 -15.585 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.566 -14.207 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.386 -14.308 -5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.767 -15.691 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.724 -16.807 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.966 -16.279 -6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.591 -17.136 -7.761 1.00 0.00 H new ATOM 162 N LEU A 12 -8.388 -13.401 -0.307 1.00 0.00 N ATOM 163 CA LEU A 12 -8.740 -12.339 0.644 1.00 0.00 C ATOM 164 C LEU A 12 -7.683 -11.241 0.537 1.00 0.00 C ATOM 165 O LEU A 12 -7.955 -10.073 0.727 1.00 0.00 O ATOM 166 CB LEU A 12 -8.672 -13.048 1.990 1.00 0.00 C ATOM 167 CG LEU A 12 -10.056 -13.585 2.359 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.938 -15.042 2.813 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.640 -12.744 3.496 1.00 0.00 C ATOM 0 H LEU A 12 -8.239 -14.317 0.115 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.711 -11.871 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.954 -13.867 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.322 -12.358 2.758 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.710 -13.529 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.925 -15.422 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.521 -15.642 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.284 -15.100 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.626 -13.125 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.984 -12.801 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.726 -11.706 3.174 1.00 0.00 H new ATOM 181 N ALA A 13 -6.477 -11.624 0.205 1.00 0.00 N ATOM 182 CA ALA A 13 -5.386 -10.625 0.049 1.00 0.00 C ATOM 183 C ALA A 13 -5.692 -9.755 -1.168 1.00 0.00 C ATOM 184 O ALA A 13 -5.432 -8.568 -1.193 1.00 0.00 O ATOM 185 CB ALA A 13 -4.118 -11.448 -0.183 1.00 0.00 C ATOM 0 H ALA A 13 -6.203 -12.592 0.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.279 -9.970 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.267 -10.778 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.945 -12.099 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.237 -12.054 -1.081 1.00 0.00 H new ATOM 191 N ASN A 14 -6.271 -10.346 -2.171 1.00 0.00 N ATOM 192 CA ASN A 14 -6.636 -9.577 -3.387 1.00 0.00 C ATOM 193 C ASN A 14 -7.573 -8.446 -2.977 1.00 0.00 C ATOM 194 O ASN A 14 -7.403 -7.307 -3.363 1.00 0.00 O ATOM 195 CB ASN A 14 -7.359 -10.582 -4.281 1.00 0.00 C ATOM 196 CG ASN A 14 -7.337 -10.092 -5.728 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.108 -8.927 -5.985 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.568 -10.940 -6.692 1.00 0.00 N ATOM 0 H ASN A 14 -6.509 -11.337 -2.200 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.780 -9.135 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.879 -11.558 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.388 -10.708 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.556 -10.625 -7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.760 -11.918 -6.476 1.00 0.00 H new ATOM 205 N PHE A 15 -8.545 -8.755 -2.162 1.00 0.00 N ATOM 206 CA PHE A 15 -9.477 -7.702 -1.685 1.00 0.00 C ATOM 207 C PHE A 15 -8.709 -6.804 -0.728 1.00 0.00 C ATOM 208 O PHE A 15 -9.077 -5.675 -0.483 1.00 0.00 O ATOM 209 CB PHE A 15 -10.611 -8.427 -0.949 1.00 0.00 C ATOM 210 CG PHE A 15 -10.939 -9.722 -1.652 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.840 -9.802 -3.046 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.330 -10.841 -0.911 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.133 -11.004 -3.699 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.626 -12.042 -1.563 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.527 -12.125 -2.957 1.00 0.00 C ATOM 0 H PHE A 15 -8.731 -9.693 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.881 -7.095 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.317 -8.627 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.495 -7.791 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.538 -8.937 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.403 -10.778 0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.056 -11.068 -4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.931 -12.906 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.754 -13.053 -3.460 1.00 0.00 H new ATOM 225 N LEU A 16 -7.619 -7.292 -0.199 1.00 0.00 N ATOM 226 CA LEU A 16 -6.818 -6.442 0.717 1.00 0.00 C ATOM 227 C LEU A 16 -6.425 -5.179 -0.042 1.00 0.00 C ATOM 228 O LEU A 16 -6.319 -4.109 0.519 1.00 0.00 O ATOM 229 CB LEU A 16 -5.587 -7.274 1.070 1.00 0.00 C ATOM 230 CG LEU A 16 -5.302 -7.171 2.569 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.233 -8.121 3.325 1.00 0.00 C ATOM 232 CD2 LEU A 16 -3.846 -7.566 2.835 1.00 0.00 C ATOM 0 H LEU A 16 -7.255 -8.231 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.353 -6.147 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.749 -8.316 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.725 -6.923 0.502 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.470 -6.148 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.034 -8.051 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.270 -7.846 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.060 -9.144 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.639 -7.494 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.680 -8.590 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.182 -6.895 2.290 1.00 0.00 H new ATOM 244 N VAL A 17 -6.229 -5.304 -1.330 1.00 0.00 N ATOM 245 CA VAL A 17 -5.863 -4.115 -2.152 1.00 0.00 C ATOM 246 C VAL A 17 -7.135 -3.432 -2.667 1.00 0.00 C ATOM 247 O VAL A 17 -7.280 -2.227 -2.591 1.00 0.00 O ATOM 248 CB VAL A 17 -5.037 -4.664 -3.319 1.00 0.00 C ATOM 249 CG1 VAL A 17 -4.247 -3.523 -3.962 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.061 -5.727 -2.806 1.00 0.00 C ATOM 0 H VAL A 17 -6.307 -6.180 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.304 -3.374 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.706 -5.111 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.658 -3.911 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.938 -2.764 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.581 -3.079 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.475 -6.115 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.393 -5.282 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.620 -6.541 -2.345 1.00 0.00 H new ATOM 260 N HIS A 18 -8.066 -4.196 -3.183 1.00 0.00 N ATOM 261 CA HIS A 18 -9.335 -3.594 -3.693 1.00 0.00 C ATOM 262 C HIS A 18 -10.170 -3.075 -2.522 1.00 0.00 C ATOM 263 O HIS A 18 -10.658 -1.963 -2.536 1.00 0.00 O ATOM 264 CB HIS A 18 -10.061 -4.741 -4.397 1.00 0.00 C ATOM 265 CG HIS A 18 -9.604 -4.818 -5.827 1.00 0.00 C ATOM 266 ND1 HIS A 18 -10.468 -4.571 -6.900 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.381 -5.110 -6.385 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.758 -4.719 -8.038 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.503 -5.041 -7.759 1.00 0.00 N ATOM 0 H HIS A 18 -8.001 -5.210 -3.273 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.157 -2.752 -4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.857 -5.683 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.139 -4.583 -4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.480 -5.352 -5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.156 -4.593 -9.034 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.760 -5.208 -8.438 1.00 0.00 H new ATOM 277 N SER A 19 -10.330 -3.870 -1.503 1.00 0.00 N ATOM 278 CA SER A 19 -11.119 -3.419 -0.327 1.00 0.00 C ATOM 279 C SER A 19 -10.408 -2.241 0.329 1.00 0.00 C ATOM 280 O SER A 19 -10.966 -1.174 0.478 1.00 0.00 O ATOM 281 CB SER A 19 -11.166 -4.622 0.616 1.00 0.00 C ATOM 282 OG SER A 19 -12.278 -4.484 1.493 1.00 0.00 O ATOM 0 H SER A 19 -9.948 -4.813 -1.434 1.00 0.00 H new ATOM 0 HA SER A 19 -12.123 -3.089 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.251 -5.545 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.241 -4.687 1.189 1.00 0.00 H new ATOM 0 HG SER A 19 -12.314 -5.253 2.099 1.00 0.00 H new ATOM 288 N SER A 20 -9.172 -2.416 0.706 1.00 0.00 N ATOM 289 CA SER A 20 -8.432 -1.287 1.332 1.00 0.00 C ATOM 290 C SER A 20 -8.650 -0.027 0.502 1.00 0.00 C ATOM 291 O SER A 20 -8.763 1.064 1.025 1.00 0.00 O ATOM 292 CB SER A 20 -6.963 -1.694 1.307 1.00 0.00 C ATOM 293 OG SER A 20 -6.553 -1.884 -0.039 1.00 0.00 O ATOM 0 H SER A 20 -8.646 -3.285 0.609 1.00 0.00 H new ATOM 0 HA SER A 20 -8.767 -1.081 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.352 -0.925 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.818 -2.612 1.877 1.00 0.00 H new ATOM 0 HG SER A 20 -6.637 -2.831 -0.276 1.00 0.00 H new