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 -81:sc= -0.0848! 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 -141:sc= 0.406 USER MOD Single : A 10 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.095) USER MOD Single : A 14 ASN : amide:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.155 X(o=-0.16,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 -7.299 -23.174 1.757 1.00 0.00 N ATOM 50 CA THR A 4 -8.202 -22.200 2.429 1.00 0.00 C ATOM 51 C THR A 4 -7.380 -21.067 3.007 1.00 0.00 C ATOM 52 O THR A 4 -7.153 -20.080 2.350 1.00 0.00 O ATOM 53 CB THR A 4 -9.003 -22.969 3.503 1.00 0.00 C ATOM 54 OG1 THR A 4 -8.302 -22.981 4.739 1.00 0.00 O ATOM 55 CG2 THR A 4 -9.251 -24.408 3.044 1.00 0.00 C ATOM 0 HA THR A 4 -8.907 -21.749 1.730 1.00 0.00 H new ATOM 0 HB THR A 4 -9.958 -22.463 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.618 -23.683 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.816 -24.941 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.817 -24.400 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.296 -24.908 2.884 1.00 0.00 H new ATOM 63 N ALA A 5 -6.878 -21.193 4.190 1.00 0.00 N ATOM 64 CA ALA A 5 -6.038 -20.092 4.714 1.00 0.00 C ATOM 65 C ALA A 5 -4.997 -19.737 3.646 1.00 0.00 C ATOM 66 O ALA A 5 -4.428 -18.667 3.648 1.00 0.00 O ATOM 67 CB ALA A 5 -5.368 -20.654 5.969 1.00 0.00 C ATOM 0 H ALA A 5 -7.007 -21.993 4.810 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.602 -19.190 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.728 -19.891 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.132 -20.949 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.766 -21.522 5.702 1.00 0.00 H new ATOM 73 N THR A 6 -4.772 -20.629 2.710 1.00 0.00 N ATOM 74 CA THR A 6 -3.785 -20.353 1.628 1.00 0.00 C ATOM 75 C THR A 6 -4.488 -19.734 0.425 1.00 0.00 C ATOM 76 O THR A 6 -4.342 -18.563 0.135 1.00 0.00 O ATOM 77 CB THR A 6 -3.205 -21.721 1.264 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.648 -22.321 2.427 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.117 -21.551 0.203 1.00 0.00 C ATOM 0 H THR A 6 -5.233 -21.537 2.652 1.00 0.00 H new ATOM 0 HA THR A 6 -3.011 -19.652 1.941 1.00 0.00 H new ATOM 0 HB THR A 6 -3.996 -22.358 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.277 -23.198 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.705 -22.527 -0.055 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.546 -21.091 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.324 -20.914 0.594 1.00 0.00 H new ATOM 87 N CYS A 7 -5.257 -20.519 -0.275 1.00 0.00 N ATOM 88 CA CYS A 7 -5.982 -19.987 -1.459 1.00 0.00 C ATOM 89 C CYS A 7 -6.939 -18.890 -1.010 1.00 0.00 C ATOM 90 O CYS A 7 -7.164 -17.923 -1.707 1.00 0.00 O ATOM 91 CB CYS A 7 -6.763 -21.174 -2.024 1.00 0.00 C ATOM 92 SG CYS A 7 -6.240 -21.504 -3.732 1.00 0.00 S ATOM 0 H CYS A 7 -5.414 -21.507 -0.077 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.310 -19.560 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.596 -22.057 -1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.832 -20.963 -1.996 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.907 -22.515 -4.202 1.00 0.00 H new ATOM 97 N ALA A 8 -7.503 -19.033 0.160 1.00 0.00 N ATOM 98 CA ALA A 8 -8.441 -17.990 0.649 1.00 0.00 C ATOM 99 C ALA A 8 -7.676 -16.695 0.904 1.00 0.00 C ATOM 100 O ALA A 8 -7.998 -15.665 0.348 1.00 0.00 O ATOM 101 CB ALA A 8 -9.045 -18.522 1.951 1.00 0.00 C ATOM 0 H ALA A 8 -7.355 -19.821 0.791 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.223 -17.777 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.745 -17.790 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.571 -19.456 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.250 -18.700 2.675 1.00 0.00 H new ATOM 107 N THR A 9 -6.653 -16.725 1.724 1.00 0.00 N ATOM 108 CA THR A 9 -5.893 -15.468 1.963 1.00 0.00 C ATOM 109 C THR A 9 -5.414 -14.913 0.623 1.00 0.00 C ATOM 110 O THR A 9 -5.235 -13.722 0.461 1.00 0.00 O ATOM 111 CB THR A 9 -4.710 -15.861 2.844 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.988 -16.914 2.221 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.227 -16.321 4.209 1.00 0.00 C ATOM 0 H THR A 9 -6.320 -17.548 2.226 1.00 0.00 H new ATOM 0 HA THR A 9 -6.496 -14.697 2.444 1.00 0.00 H new ATOM 0 HB THR A 9 -4.050 -15.004 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.698 -17.558 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.385 -16.603 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.780 -15.509 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.885 -17.180 4.078 1.00 0.00 H new ATOM 121 N GLN A 10 -5.215 -15.771 -0.343 1.00 0.00 N ATOM 122 CA GLN A 10 -4.760 -15.296 -1.674 1.00 0.00 C ATOM 123 C GLN A 10 -5.885 -14.518 -2.368 1.00 0.00 C ATOM 124 O GLN A 10 -5.652 -13.551 -3.072 1.00 0.00 O ATOM 125 CB GLN A 10 -4.423 -16.568 -2.453 1.00 0.00 C ATOM 126 CG GLN A 10 -3.191 -16.319 -3.325 1.00 0.00 C ATOM 127 CD GLN A 10 -1.985 -17.037 -2.717 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.104 -17.478 -3.428 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.906 -17.173 -1.421 1.00 0.00 N ATOM 0 H GLN A 10 -5.349 -16.779 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.905 -14.624 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.234 -17.391 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.269 -16.862 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.370 -16.679 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.993 -15.250 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.645 -16.803 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.105 -17.649 -1.006 1.00 0.00 H new ATOM 138 N ARG A 11 -7.110 -14.899 -2.135 1.00 0.00 N ATOM 139 CA ARG A 11 -8.239 -14.155 -2.750 1.00 0.00 C ATOM 140 C ARG A 11 -8.560 -13.035 -1.796 1.00 0.00 C ATOM 141 O ARG A 11 -8.703 -11.884 -2.161 1.00 0.00 O ATOM 142 CB ARG A 11 -9.388 -15.158 -2.842 1.00 0.00 C ATOM 143 CG ARG A 11 -10.420 -14.658 -3.853 1.00 0.00 C ATOM 144 CD ARG A 11 -10.008 -15.080 -5.266 1.00 0.00 C ATOM 145 NE ARG A 11 -9.838 -16.556 -5.198 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.741 -17.107 -5.641 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.581 -16.689 -5.213 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.802 -18.074 -6.515 1.00 0.00 N ATOM 0 H ARG A 11 -7.375 -15.690 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.034 -13.741 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.010 -16.134 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.853 -15.286 -1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.403 -15.064 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.501 -13.572 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.768 -14.804 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.082 -14.591 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.578 -17.137 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.531 -15.931 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.724 -17.120 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.708 -18.400 -6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.944 -18.504 -6.861 1.00 0.00 H new ATOM 162 N LEU A 12 -8.601 -13.381 -0.551 1.00 0.00 N ATOM 163 CA LEU A 12 -8.829 -12.372 0.496 1.00 0.00 C ATOM 164 C LEU A 12 -7.782 -11.272 0.348 1.00 0.00 C ATOM 165 O LEU A 12 -8.041 -10.109 0.582 1.00 0.00 O ATOM 166 CB LEU A 12 -8.625 -13.157 1.785 1.00 0.00 C ATOM 167 CG LEU A 12 -9.961 -13.705 2.284 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.694 -14.401 1.134 1.00 0.00 C ATOM 169 CD2 LEU A 12 -9.707 -14.712 3.407 1.00 0.00 C ATOM 0 H LEU A 12 -8.484 -14.336 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.806 -11.891 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.928 -13.977 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.180 -12.514 2.545 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.573 -12.884 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.647 -14.791 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.874 -13.686 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.084 -15.222 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.658 -15.105 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.095 -15.531 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.186 -14.218 4.227 1.00 0.00 H new ATOM 181 N ALA A 13 -6.598 -11.640 -0.065 1.00 0.00 N ATOM 182 CA ALA A 13 -5.523 -10.627 -0.259 1.00 0.00 C ATOM 183 C ALA A 13 -5.869 -9.749 -1.463 1.00 0.00 C ATOM 184 O ALA A 13 -5.529 -8.585 -1.524 1.00 0.00 O ATOM 185 CB ALA A 13 -4.256 -11.436 -0.536 1.00 0.00 C ATOM 0 H ALA A 13 -6.330 -12.601 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.401 -9.973 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.417 -10.757 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.046 -12.085 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.400 -12.043 -1.430 1.00 0.00 H new ATOM 191 N ASN A 14 -6.556 -10.307 -2.420 1.00 0.00 N ATOM 192 CA ASN A 14 -6.943 -9.519 -3.624 1.00 0.00 C ATOM 193 C ASN A 14 -7.764 -8.309 -3.191 1.00 0.00 C ATOM 194 O ASN A 14 -7.591 -7.215 -3.693 1.00 0.00 O ATOM 195 CB ASN A 14 -7.795 -10.464 -4.469 1.00 0.00 C ATOM 196 CG ASN A 14 -7.704 -10.050 -5.939 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.684 -9.636 -6.526 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.562 -10.144 -6.563 1.00 0.00 N ATOM 0 H ASN A 14 -6.867 -11.278 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.080 -9.154 -4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.450 -11.491 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.832 -10.434 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.492 -9.870 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.739 -10.491 -6.071 1.00 0.00 H new ATOM 205 N PHE A 15 -8.644 -8.492 -2.249 1.00 0.00 N ATOM 206 CA PHE A 15 -9.459 -7.346 -1.773 1.00 0.00 C ATOM 207 C PHE A 15 -8.651 -6.580 -0.733 1.00 0.00 C ATOM 208 O PHE A 15 -8.948 -5.450 -0.406 1.00 0.00 O ATOM 209 CB PHE A 15 -10.723 -7.940 -1.135 1.00 0.00 C ATOM 210 CG PHE A 15 -11.081 -9.248 -1.796 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.345 -9.288 -3.168 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.145 -10.419 -1.035 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.673 -10.503 -3.781 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.473 -11.632 -1.644 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.738 -11.675 -3.019 1.00 0.00 C ATOM 0 H PHE A 15 -8.833 -9.383 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.725 -6.664 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.561 -8.097 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.551 -7.238 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.296 -8.382 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.941 -10.385 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.876 -10.536 -4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.522 -12.536 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.992 -12.613 -3.491 1.00 0.00 H new ATOM 225 N LEU A 16 -7.614 -7.187 -0.215 1.00 0.00 N ATOM 226 CA LEU A 16 -6.782 -6.478 0.797 1.00 0.00 C ATOM 227 C LEU A 16 -6.040 -5.324 0.126 1.00 0.00 C ATOM 228 O LEU A 16 -6.058 -4.205 0.593 1.00 0.00 O ATOM 229 CB LEU A 16 -5.782 -7.518 1.310 1.00 0.00 C ATOM 230 CG LEU A 16 -6.353 -8.272 2.515 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.223 -9.036 3.206 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.969 -7.284 3.511 1.00 0.00 C ATOM 0 H LEU A 16 -7.311 -8.133 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.382 -6.065 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.543 -8.223 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.851 -7.026 1.591 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.123 -8.964 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.621 -9.576 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.781 -9.744 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.460 -8.333 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.372 -7.831 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.203 -6.589 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.771 -6.729 3.024 1.00 0.00 H new ATOM 244 N VAL A 17 -5.389 -5.593 -0.971 1.00 0.00 N ATOM 245 CA VAL A 17 -4.641 -4.515 -1.678 1.00 0.00 C ATOM 246 C VAL A 17 -5.609 -3.606 -2.444 1.00 0.00 C ATOM 247 O VAL A 17 -5.322 -2.453 -2.702 1.00 0.00 O ATOM 248 CB VAL A 17 -3.718 -5.253 -2.646 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.206 -4.282 -3.710 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.532 -5.833 -1.872 1.00 0.00 C ATOM 0 H VAL A 17 -5.342 -6.513 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.089 -3.875 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.269 -6.059 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.548 -4.811 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.050 -3.868 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.654 -3.474 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.871 -6.360 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.983 -5.025 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.896 -6.527 -1.115 1.00 0.00 H new ATOM 260 N HIS A 18 -6.752 -4.117 -2.812 1.00 0.00 N ATOM 261 CA HIS A 18 -7.737 -3.289 -3.563 1.00 0.00 C ATOM 262 C HIS A 18 -8.670 -2.557 -2.600 1.00 0.00 C ATOM 263 O HIS A 18 -8.773 -1.349 -2.615 1.00 0.00 O ATOM 264 CB HIS A 18 -8.531 -4.292 -4.404 1.00 0.00 C ATOM 265 CG HIS A 18 -7.838 -4.488 -5.718 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.515 -4.901 -6.873 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.526 -4.326 -6.085 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.609 -4.972 -7.870 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.407 -4.631 -7.426 1.00 0.00 N ATOM 0 H HIS A 18 -7.047 -5.075 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.250 -2.528 -4.172 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.613 -5.243 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.546 -3.928 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.722 -4.013 -5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.831 -5.265 -8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.549 -4.600 -7.976 1.00 0.00 H new ATOM 277 N SER A 19 -9.360 -3.286 -1.773 1.00 0.00 N ATOM 278 CA SER A 19 -10.310 -2.637 -0.817 1.00 0.00 C ATOM 279 C SER A 19 -9.618 -1.567 0.038 1.00 0.00 C ATOM 280 O SER A 19 -10.220 -0.579 0.409 1.00 0.00 O ATOM 281 CB SER A 19 -10.820 -3.770 0.070 1.00 0.00 C ATOM 282 OG SER A 19 -12.044 -3.377 0.675 1.00 0.00 O ATOM 0 H SER A 19 -9.311 -4.303 -1.713 1.00 0.00 H new ATOM 0 HA SER A 19 -11.112 -2.126 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.967 -4.673 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.082 -4.008 0.836 1.00 0.00 H new ATOM 0 HG SER A 19 -12.375 -4.103 1.244 1.00 0.00 H new ATOM 288 N SER A 20 -8.372 -1.753 0.372 1.00 0.00 N ATOM 289 CA SER A 20 -7.676 -0.741 1.223 1.00 0.00 C ATOM 290 C SER A 20 -6.981 0.327 0.372 1.00 0.00 C ATOM 291 O SER A 20 -6.902 1.478 0.754 1.00 0.00 O ATOM 292 CB SER A 20 -6.649 -1.534 2.035 1.00 0.00 C ATOM 293 OG SER A 20 -5.357 -0.969 1.852 1.00 0.00 O ATOM 0 H SER A 20 -7.806 -2.556 0.096 1.00 0.00 H new ATOM 0 HA SER A 20 -8.382 -0.207 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.917 -1.520 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.649 -2.577 1.720 1.00 0.00 H new ATOM 0 HG SER A 20 -4.701 -1.477 2.374 1.00 0.00 H new