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= -2.47 K(o=-6.1,f=-3.8) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -3.68 K(o=-6.1,f=-4.3) USER MOD Set 2.1: A 4 THR OG1 : rot 49:sc= 1.8 USER MOD Set 2.2: A 7 CYS SG : rot -33:sc= -6.27! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 110:sc= 1.21 USER MOD Single : A 10 GLN : amide:sc= -0.94 K(o=-0.94,f=-0.22) 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 -8.458 -23.688 0.253 1.00 0.00 N ATOM 50 CA THR A 4 -7.069 -23.794 0.753 1.00 0.00 C ATOM 51 C THR A 4 -6.706 -22.537 1.543 1.00 0.00 C ATOM 52 O THR A 4 -6.465 -21.488 0.990 1.00 0.00 O ATOM 53 CB THR A 4 -6.199 -23.915 -0.501 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.024 -24.163 -1.633 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.212 -25.069 -0.326 1.00 0.00 C ATOM 0 HA THR A 4 -6.931 -24.644 1.421 1.00 0.00 H new ATOM 0 HB THR A 4 -5.650 -22.986 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.767 -23.525 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.592 -25.156 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.578 -24.877 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.762 -25.998 -0.174 1.00 0.00 H new ATOM 63 N ALA A 5 -6.664 -22.643 2.835 1.00 0.00 N ATOM 64 CA ALA A 5 -6.306 -21.463 3.687 1.00 0.00 C ATOM 65 C ALA A 5 -5.172 -20.647 3.046 1.00 0.00 C ATOM 66 O ALA A 5 -5.010 -19.474 3.318 1.00 0.00 O ATOM 67 CB ALA A 5 -5.839 -22.066 5.013 1.00 0.00 C ATOM 0 H ALA A 5 -6.863 -23.500 3.351 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.148 -20.782 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.557 -21.266 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.648 -22.650 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.979 -22.712 4.836 1.00 0.00 H new ATOM 73 N THR A 6 -4.397 -21.252 2.183 1.00 0.00 N ATOM 74 CA THR A 6 -3.294 -20.516 1.512 1.00 0.00 C ATOM 75 C THR A 6 -3.888 -19.715 0.365 1.00 0.00 C ATOM 76 O THR A 6 -3.505 -18.596 0.089 1.00 0.00 O ATOM 77 CB THR A 6 -2.378 -21.613 0.966 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.229 -21.021 0.377 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.136 -22.425 -0.091 1.00 0.00 C ATOM 0 H THR A 6 -4.485 -22.232 1.915 1.00 0.00 H new ATOM 0 HA THR A 6 -2.760 -19.831 2.171 1.00 0.00 H new ATOM 0 HB THR A 6 -2.069 -22.270 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.641 -21.724 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.487 -23.208 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.018 -22.878 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.443 -21.767 -0.904 1.00 0.00 H new ATOM 87 N CYS A 7 -4.841 -20.301 -0.293 1.00 0.00 N ATOM 88 CA CYS A 7 -5.510 -19.625 -1.422 1.00 0.00 C ATOM 89 C CYS A 7 -6.587 -18.683 -0.882 1.00 0.00 C ATOM 90 O CYS A 7 -6.791 -17.596 -1.387 1.00 0.00 O ATOM 91 CB CYS A 7 -6.107 -20.777 -2.233 1.00 0.00 C ATOM 92 SG CYS A 7 -7.625 -21.383 -1.452 1.00 0.00 S ATOM 0 H CYS A 7 -5.189 -21.238 -0.089 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.847 -19.010 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.322 -20.442 -3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.383 -21.588 -2.312 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.529 -21.259 -0.162 1.00 0.00 H new ATOM 97 N ALA A 8 -7.264 -19.086 0.160 1.00 0.00 N ATOM 98 CA ALA A 8 -8.311 -18.206 0.751 1.00 0.00 C ATOM 99 C ALA A 8 -7.662 -16.897 1.190 1.00 0.00 C ATOM 100 O ALA A 8 -7.939 -15.844 0.651 1.00 0.00 O ATOM 101 CB ALA A 8 -8.853 -18.977 1.956 1.00 0.00 C ATOM 0 H ALA A 8 -7.137 -19.984 0.626 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.110 -17.962 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.631 -18.390 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.271 -19.927 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.044 -19.165 2.662 1.00 0.00 H new ATOM 107 N THR A 9 -6.773 -16.958 2.144 1.00 0.00 N ATOM 108 CA THR A 9 -6.088 -15.715 2.582 1.00 0.00 C ATOM 109 C THR A 9 -5.490 -15.037 1.352 1.00 0.00 C ATOM 110 O THR A 9 -5.523 -13.831 1.212 1.00 0.00 O ATOM 111 CB THR A 9 -4.987 -16.176 3.539 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.469 -17.256 4.327 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.582 -15.016 4.450 1.00 0.00 C ATOM 0 H THR A 9 -6.495 -17.808 2.634 1.00 0.00 H new ATOM 0 HA THR A 9 -6.755 -15.003 3.069 1.00 0.00 H new ATOM 0 HB THR A 9 -4.120 -16.503 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.016 -18.083 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.798 -15.345 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.212 -14.189 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.447 -14.686 5.025 1.00 0.00 H new ATOM 121 N GLN A 10 -4.957 -15.817 0.449 1.00 0.00 N ATOM 122 CA GLN A 10 -4.370 -15.242 -0.784 1.00 0.00 C ATOM 123 C GLN A 10 -5.483 -14.658 -1.663 1.00 0.00 C ATOM 124 O GLN A 10 -5.254 -13.791 -2.486 1.00 0.00 O ATOM 125 CB GLN A 10 -3.691 -16.418 -1.486 1.00 0.00 C ATOM 126 CG GLN A 10 -3.114 -15.952 -2.825 1.00 0.00 C ATOM 127 CD GLN A 10 -3.289 -17.056 -3.869 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.353 -17.413 -4.557 1.00 0.00 O ATOM 129 NE2 GLN A 10 -4.459 -17.617 -4.019 1.00 0.00 N ATOM 0 H GLN A 10 -4.906 -16.833 0.518 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.667 -14.436 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.897 -16.821 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.409 -17.222 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.618 -15.043 -3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.058 -15.708 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.245 -17.318 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.586 -18.354 -4.713 1.00 0.00 H new ATOM 138 N ARG A 11 -6.698 -15.091 -1.459 1.00 0.00 N ATOM 139 CA ARG A 11 -7.825 -14.531 -2.252 1.00 0.00 C ATOM 140 C ARG A 11 -8.328 -13.348 -1.469 1.00 0.00 C ATOM 141 O ARG A 11 -8.454 -12.244 -1.962 1.00 0.00 O ATOM 142 CB ARG A 11 -8.877 -15.638 -2.319 1.00 0.00 C ATOM 143 CG ARG A 11 -10.053 -15.176 -3.184 1.00 0.00 C ATOM 144 CD ARG A 11 -9.834 -15.624 -4.632 1.00 0.00 C ATOM 145 NE ARG A 11 -9.025 -14.540 -5.254 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.670 -14.627 -6.507 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.444 -15.234 -7.365 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.540 -14.109 -6.902 1.00 0.00 N ATOM 0 H ARG A 11 -6.956 -15.806 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.560 -14.216 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.439 -16.545 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.225 -15.884 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.985 -15.592 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.146 -14.091 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.312 -16.580 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.783 -15.756 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.748 -13.729 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.327 -15.641 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.166 -15.302 -8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.934 -13.636 -6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.262 -14.177 -7.881 1.00 0.00 H new ATOM 162 N LEU A 12 -8.545 -13.579 -0.214 1.00 0.00 N ATOM 163 CA LEU A 12 -8.962 -12.488 0.681 1.00 0.00 C ATOM 164 C LEU A 12 -7.936 -11.366 0.566 1.00 0.00 C ATOM 165 O LEU A 12 -8.262 -10.195 0.595 1.00 0.00 O ATOM 166 CB LEU A 12 -8.926 -13.136 2.061 1.00 0.00 C ATOM 167 CG LEU A 12 -10.303 -13.702 2.404 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.750 -14.654 1.294 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.226 -14.466 3.727 1.00 0.00 C ATOM 0 H LEU A 12 -8.449 -14.491 0.233 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.939 -12.059 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.181 -13.931 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.628 -12.402 2.810 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.019 -12.886 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.732 -15.059 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.804 -14.112 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.033 -15.470 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.208 -14.870 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.511 -15.283 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.904 -13.790 4.519 1.00 0.00 H new ATOM 181 N ALA A 13 -6.694 -11.728 0.404 1.00 0.00 N ATOM 182 CA ALA A 13 -5.631 -10.704 0.246 1.00 0.00 C ATOM 183 C ALA A 13 -5.804 -10.028 -1.114 1.00 0.00 C ATOM 184 O ALA A 13 -5.441 -8.884 -1.312 1.00 0.00 O ATOM 185 CB ALA A 13 -4.315 -11.485 0.303 1.00 0.00 C ATOM 0 H ALA A 13 -6.371 -12.695 0.374 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.662 -9.928 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.478 -10.796 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.238 -11.999 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.291 -12.217 -0.504 1.00 0.00 H new ATOM 191 N ASN A 14 -6.376 -10.738 -2.050 1.00 0.00 N ATOM 192 CA ASN A 14 -6.603 -10.161 -3.405 1.00 0.00 C ATOM 193 C ASN A 14 -7.471 -8.908 -3.289 1.00 0.00 C ATOM 194 O ASN A 14 -7.179 -7.883 -3.872 1.00 0.00 O ATOM 195 CB ASN A 14 -7.343 -11.252 -4.183 1.00 0.00 C ATOM 196 CG ASN A 14 -7.046 -11.108 -5.678 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.094 -11.673 -6.177 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.828 -10.370 -6.418 1.00 0.00 N ATOM 0 H ASN A 14 -6.697 -11.699 -1.932 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.675 -9.872 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.032 -12.236 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.416 -11.175 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.639 -10.268 -7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.628 -9.895 -5.999 1.00 0.00 H new ATOM 205 N PHE A 15 -8.526 -8.976 -2.521 1.00 0.00 N ATOM 206 CA PHE A 15 -9.397 -7.781 -2.352 1.00 0.00 C ATOM 207 C PHE A 15 -8.715 -6.826 -1.383 1.00 0.00 C ATOM 208 O PHE A 15 -9.036 -5.657 -1.310 1.00 0.00 O ATOM 209 CB PHE A 15 -10.721 -8.286 -1.757 1.00 0.00 C ATOM 210 CG PHE A 15 -11.030 -9.676 -2.263 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.008 -9.945 -3.636 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.331 -10.697 -1.353 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.287 -11.235 -4.100 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.611 -11.987 -1.818 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.589 -12.257 -3.192 1.00 0.00 C ATOM 0 H PHE A 15 -8.820 -9.806 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.575 -7.260 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.658 -8.294 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.530 -7.606 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.776 -9.157 -4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.347 -10.489 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.269 -11.443 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.844 -12.775 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.805 -13.253 -3.551 1.00 0.00 H new ATOM 225 N LEU A 16 -7.763 -7.321 -0.638 1.00 0.00 N ATOM 226 CA LEU A 16 -7.049 -6.439 0.323 1.00 0.00 C ATOM 227 C LEU A 16 -6.235 -5.403 -0.447 1.00 0.00 C ATOM 228 O LEU A 16 -6.292 -4.223 -0.170 1.00 0.00 O ATOM 229 CB LEU A 16 -6.132 -7.370 1.114 1.00 0.00 C ATOM 230 CG LEU A 16 -6.032 -6.882 2.559 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.350 -7.164 3.282 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.893 -7.621 3.268 1.00 0.00 C ATOM 0 H LEU A 16 -7.452 -8.292 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.728 -5.895 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.521 -8.388 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.142 -7.396 0.659 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.833 -5.810 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.281 -6.817 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.162 -6.641 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.548 -8.236 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.820 -7.274 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.093 -8.692 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.954 -7.423 2.751 1.00 0.00 H new ATOM 244 N VAL A 17 -5.486 -5.834 -1.424 1.00 0.00 N ATOM 245 CA VAL A 17 -4.678 -4.870 -2.220 1.00 0.00 C ATOM 246 C VAL A 17 -5.517 -4.310 -3.372 1.00 0.00 C ATOM 247 O VAL A 17 -5.395 -3.159 -3.731 1.00 0.00 O ATOM 248 CB VAL A 17 -3.497 -5.678 -2.757 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.590 -4.766 -3.587 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.699 -6.253 -1.585 1.00 0.00 C ATOM 0 H VAL A 17 -5.399 -6.811 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.345 -4.021 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.868 -6.491 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.748 -5.342 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.156 -4.352 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.220 -3.954 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.856 -6.830 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.329 -5.438 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.342 -6.901 -0.990 1.00 0.00 H new ATOM 260 N HIS A 18 -6.371 -5.111 -3.950 1.00 0.00 N ATOM 261 CA HIS A 18 -7.214 -4.610 -5.076 1.00 0.00 C ATOM 262 C HIS A 18 -8.208 -3.567 -4.563 1.00 0.00 C ATOM 263 O HIS A 18 -8.341 -2.494 -5.118 1.00 0.00 O ATOM 264 CB HIS A 18 -7.959 -5.838 -5.602 1.00 0.00 C ATOM 265 CG HIS A 18 -7.022 -6.693 -6.410 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.483 -7.722 -7.241 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.650 -6.697 -6.532 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.407 -8.294 -7.818 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.296 -7.699 -7.412 1.00 0.00 N ATOM 0 H HIS A 18 -6.522 -6.087 -3.693 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.617 -4.134 -5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.365 -6.413 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.804 -5.527 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.968 -6.030 -6.026 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.446 -9.120 -8.513 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.347 -7.939 -7.699 1.00 0.00 H new ATOM 277 N SER A 19 -8.910 -3.876 -3.509 1.00 0.00 N ATOM 278 CA SER A 19 -9.901 -2.900 -2.965 1.00 0.00 C ATOM 279 C SER A 19 -9.182 -1.750 -2.254 1.00 0.00 C ATOM 280 O SER A 19 -9.698 -0.655 -2.150 1.00 0.00 O ATOM 281 CB SER A 19 -10.747 -3.699 -1.974 1.00 0.00 C ATOM 282 OG SER A 19 -11.906 -2.947 -1.635 1.00 0.00 O ATOM 0 H SER A 19 -8.843 -4.758 -3.001 1.00 0.00 H new ATOM 0 HA SER A 19 -10.510 -2.453 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.034 -4.655 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.167 -3.920 -1.078 1.00 0.00 H new ATOM 0 HG SER A 19 -12.452 -3.456 -1.001 1.00 0.00 H new ATOM 288 N SER A 20 -7.996 -1.987 -1.763 1.00 0.00 N ATOM 289 CA SER A 20 -7.254 -0.902 -1.060 1.00 0.00 C ATOM 290 C SER A 20 -6.400 -0.112 -2.053 1.00 0.00 C ATOM 291 O SER A 20 -6.239 1.087 -1.933 1.00 0.00 O ATOM 292 CB SER A 20 -6.366 -1.619 -0.048 1.00 0.00 C ATOM 293 OG SER A 20 -5.639 -0.657 0.706 1.00 0.00 O ATOM 0 H SER A 20 -7.510 -2.882 -1.818 1.00 0.00 H new ATOM 0 HA SER A 20 -7.926 -0.189 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.974 -2.233 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.678 -2.290 -0.562 1.00 0.00 H new ATOM 0 HG SER A 20 -5.069 -1.115 1.358 1.00 0.00 H new