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 11:sc= 0.878 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 9 THR OG1 : rot 90:sc= 0.536 USER MOD Single : A 10 GLN : amide:sc= -3.02! K(o=-3!,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc=-0.00224 X(o=-0.0022,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 -8.238 -23.776 2.399 1.00 0.00 N ATOM 50 CA THR A 4 -6.825 -23.576 2.779 1.00 0.00 C ATOM 51 C THR A 4 -6.584 -22.089 2.943 1.00 0.00 C ATOM 52 O THR A 4 -6.354 -21.385 1.987 1.00 0.00 O ATOM 53 CB THR A 4 -6.006 -24.135 1.615 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.828 -24.979 0.820 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.827 -24.939 2.162 1.00 0.00 C ATOM 0 HA THR A 4 -6.556 -24.069 3.713 1.00 0.00 H new ATOM 0 HB THR A 4 -5.633 -23.313 1.005 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.763 -24.878 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.243 -25.338 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.197 -24.292 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.200 -25.762 2.772 1.00 0.00 H new ATOM 63 N ALA A 5 -6.669 -21.617 4.150 1.00 0.00 N ATOM 64 CA ALA A 5 -6.461 -20.160 4.420 1.00 0.00 C ATOM 65 C ALA A 5 -5.427 -19.578 3.448 1.00 0.00 C ATOM 66 O ALA A 5 -5.509 -18.432 3.061 1.00 0.00 O ATOM 67 CB ALA A 5 -5.956 -20.092 5.863 1.00 0.00 C ATOM 0 H ALA A 5 -6.876 -22.180 4.975 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.374 -19.580 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.779 -19.052 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.703 -20.522 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.026 -20.654 5.950 1.00 0.00 H new ATOM 73 N THR A 6 -4.473 -20.368 3.022 1.00 0.00 N ATOM 74 CA THR A 6 -3.472 -19.853 2.046 1.00 0.00 C ATOM 75 C THR A 6 -4.205 -19.468 0.759 1.00 0.00 C ATOM 76 O THR A 6 -4.008 -18.401 0.211 1.00 0.00 O ATOM 77 CB THR A 6 -2.499 -21.012 1.803 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.522 -20.614 0.852 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.261 -22.230 1.275 1.00 0.00 C ATOM 0 H THR A 6 -4.347 -21.339 3.307 1.00 0.00 H new ATOM 0 HA THR A 6 -2.938 -18.972 2.403 1.00 0.00 H new ATOM 0 HB THR A 6 -2.011 -21.276 2.741 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.897 -21.353 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.563 -23.050 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.009 -22.536 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.754 -21.972 0.338 1.00 0.00 H new ATOM 87 N CYS A 7 -5.086 -20.318 0.302 1.00 0.00 N ATOM 88 CA CYS A 7 -5.879 -20.001 -0.913 1.00 0.00 C ATOM 89 C CYS A 7 -6.815 -18.847 -0.567 1.00 0.00 C ATOM 90 O CYS A 7 -6.807 -17.806 -1.193 1.00 0.00 O ATOM 91 CB CYS A 7 -6.656 -21.295 -1.219 1.00 0.00 C ATOM 92 SG CYS A 7 -8.287 -20.923 -1.934 1.00 0.00 S ATOM 0 H CYS A 7 -5.289 -21.224 0.724 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.284 -19.698 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.084 -21.912 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.780 -21.874 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.915 -22.034 -2.182 1.00 0.00 H new ATOM 97 N ALA A 8 -7.608 -19.026 0.445 1.00 0.00 N ATOM 98 CA ALA A 8 -8.534 -17.943 0.860 1.00 0.00 C ATOM 99 C ALA A 8 -7.743 -16.647 1.012 1.00 0.00 C ATOM 100 O ALA A 8 -8.023 -15.657 0.368 1.00 0.00 O ATOM 101 CB ALA A 8 -9.094 -18.400 2.204 1.00 0.00 C ATOM 0 H ALA A 8 -7.656 -19.877 1.005 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.331 -17.758 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.791 -17.651 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.615 -19.349 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.277 -18.526 2.915 1.00 0.00 H new ATOM 107 N THR A 9 -6.744 -16.650 1.852 1.00 0.00 N ATOM 108 CA THR A 9 -5.924 -15.422 2.032 1.00 0.00 C ATOM 109 C THR A 9 -5.399 -14.954 0.675 1.00 0.00 C ATOM 110 O THR A 9 -5.297 -13.773 0.412 1.00 0.00 O ATOM 111 CB THR A 9 -4.769 -15.840 2.945 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.258 -16.027 4.266 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.693 -14.752 2.944 1.00 0.00 C ATOM 0 H THR A 9 -6.462 -17.449 2.420 1.00 0.00 H new ATOM 0 HA THR A 9 -6.493 -14.597 2.461 1.00 0.00 H new ATOM 0 HB THR A 9 -4.336 -16.772 2.582 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.549 -16.956 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.872 -15.052 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.319 -14.611 1.930 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.120 -13.817 3.307 1.00 0.00 H new ATOM 121 N GLN A 10 -5.061 -15.874 -0.190 1.00 0.00 N ATOM 122 CA GLN A 10 -4.546 -15.483 -1.529 1.00 0.00 C ATOM 123 C GLN A 10 -5.641 -14.765 -2.333 1.00 0.00 C ATOM 124 O GLN A 10 -5.377 -13.856 -3.102 1.00 0.00 O ATOM 125 CB GLN A 10 -4.157 -16.801 -2.205 1.00 0.00 C ATOM 126 CG GLN A 10 -3.968 -16.573 -3.706 1.00 0.00 C ATOM 127 CD GLN A 10 -2.950 -15.454 -3.929 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.923 -14.838 -4.976 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.100 -15.166 -2.981 1.00 0.00 N ATOM 0 H GLN A 10 -5.120 -16.879 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.703 -14.796 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.237 -17.188 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.930 -17.550 -2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.625 -17.491 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.920 -16.310 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.122 -15.683 -2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.414 -14.424 -3.119 1.00 0.00 H new ATOM 138 N ARG A 11 -6.877 -15.130 -2.123 1.00 0.00 N ATOM 139 CA ARG A 11 -7.983 -14.445 -2.845 1.00 0.00 C ATOM 140 C ARG A 11 -8.343 -13.248 -2.008 1.00 0.00 C ATOM 141 O ARG A 11 -8.411 -12.124 -2.466 1.00 0.00 O ATOM 142 CB ARG A 11 -9.132 -15.453 -2.889 1.00 0.00 C ATOM 143 CG ARG A 11 -10.311 -14.853 -3.656 1.00 0.00 C ATOM 144 CD ARG A 11 -10.105 -15.066 -5.157 1.00 0.00 C ATOM 145 NE ARG A 11 -9.854 -16.526 -5.308 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.207 -16.972 -6.349 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.145 -16.344 -6.779 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.624 -18.044 -6.964 1.00 0.00 N ATOM 0 H ARG A 11 -7.166 -15.871 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.736 -14.122 -3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.803 -16.374 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.439 -15.714 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.242 -15.320 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.397 -13.789 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.983 -14.756 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.263 -14.480 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.188 -17.177 -4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.821 -15.504 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.640 -16.694 -7.593 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.455 -18.532 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.119 -18.394 -7.778 1.00 0.00 H new ATOM 162 N LEU A 12 -8.501 -13.497 -0.751 1.00 0.00 N ATOM 163 CA LEU A 12 -8.779 -12.405 0.187 1.00 0.00 C ATOM 164 C LEU A 12 -7.719 -11.329 -0.015 1.00 0.00 C ATOM 165 O LEU A 12 -7.993 -10.149 0.036 1.00 0.00 O ATOM 166 CB LEU A 12 -8.630 -13.074 1.545 1.00 0.00 C ATOM 167 CG LEU A 12 -9.985 -13.608 2.006 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.775 -14.856 2.865 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.704 -12.535 2.827 1.00 0.00 C ATOM 0 H LEU A 12 -8.448 -14.425 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.753 -11.931 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.909 -13.889 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.243 -12.361 2.272 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.590 -13.864 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.741 -15.238 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.264 -15.620 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.170 -14.601 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.671 -12.916 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.100 -12.277 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.854 -11.647 2.213 1.00 0.00 H new ATOM 181 N ALA A 13 -6.506 -11.750 -0.267 1.00 0.00 N ATOM 182 CA ALA A 13 -5.395 -10.784 -0.500 1.00 0.00 C ATOM 183 C ALA A 13 -5.741 -9.882 -1.679 1.00 0.00 C ATOM 184 O ALA A 13 -5.556 -8.681 -1.635 1.00 0.00 O ATOM 185 CB ALA A 13 -4.178 -11.648 -0.829 1.00 0.00 C ATOM 0 H ALA A 13 -6.237 -12.732 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.213 -10.141 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.316 -11.007 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.964 -12.310 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.384 -12.244 -1.718 1.00 0.00 H new ATOM 191 N ASN A 14 -6.254 -10.452 -2.730 1.00 0.00 N ATOM 192 CA ASN A 14 -6.630 -9.625 -3.910 1.00 0.00 C ATOM 193 C ASN A 14 -7.467 -8.438 -3.436 1.00 0.00 C ATOM 194 O ASN A 14 -7.272 -7.312 -3.854 1.00 0.00 O ATOM 195 CB ASN A 14 -7.465 -10.549 -4.798 1.00 0.00 C ATOM 196 CG ASN A 14 -7.447 -10.036 -6.240 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.658 -10.482 -7.048 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.295 -9.110 -6.600 1.00 0.00 N ATOM 0 H ASN A 14 -6.430 -11.452 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.766 -9.232 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.068 -11.563 -4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.490 -10.593 -4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.294 -8.762 -7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.958 -8.735 -5.922 1.00 0.00 H new ATOM 205 N PHE A 15 -8.388 -8.690 -2.550 1.00 0.00 N ATOM 206 CA PHE A 15 -9.243 -7.593 -2.022 1.00 0.00 C ATOM 207 C PHE A 15 -8.573 -7.001 -0.787 1.00 0.00 C ATOM 208 O PHE A 15 -8.869 -5.899 -0.377 1.00 0.00 O ATOM 209 CB PHE A 15 -10.578 -8.245 -1.633 1.00 0.00 C ATOM 210 CG PHE A 15 -10.840 -9.458 -2.495 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.698 -9.376 -3.884 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.208 -10.668 -1.898 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.929 -10.503 -4.677 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.436 -11.798 -2.690 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.297 -11.716 -4.081 1.00 0.00 C ATOM 0 H PHE A 15 -8.586 -9.614 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.392 -6.797 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.557 -8.535 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.389 -7.526 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.410 -8.442 -4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.316 -10.730 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.824 -10.439 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.719 -12.733 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.473 -12.588 -4.694 1.00 0.00 H new ATOM 225 N LEU A 16 -7.665 -7.728 -0.186 1.00 0.00 N ATOM 226 CA LEU A 16 -6.983 -7.190 1.029 1.00 0.00 C ATOM 227 C LEU A 16 -6.096 -6.009 0.634 1.00 0.00 C ATOM 228 O LEU A 16 -5.988 -5.035 1.349 1.00 0.00 O ATOM 229 CB LEU A 16 -6.150 -8.347 1.579 1.00 0.00 C ATOM 230 CG LEU A 16 -6.278 -8.387 3.103 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.408 -9.341 3.492 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.965 -8.882 3.714 1.00 0.00 C ATOM 0 H LEU A 16 -7.370 -8.659 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.687 -6.827 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.489 -9.290 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.105 -8.225 1.294 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.498 -7.386 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.501 -9.371 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.345 -8.992 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.185 -10.341 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.057 -8.910 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.745 -9.883 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.157 -8.206 3.436 1.00 0.00 H new ATOM 244 N VAL A 17 -5.481 -6.080 -0.514 1.00 0.00 N ATOM 245 CA VAL A 17 -4.625 -4.950 -0.969 1.00 0.00 C ATOM 246 C VAL A 17 -5.506 -3.912 -1.665 1.00 0.00 C ATOM 247 O VAL A 17 -5.275 -2.722 -1.578 1.00 0.00 O ATOM 248 CB VAL A 17 -3.633 -5.570 -1.955 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.983 -4.464 -2.789 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.551 -6.324 -1.180 1.00 0.00 C ATOM 0 H VAL A 17 -5.534 -6.871 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.107 -4.450 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.159 -6.261 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.276 -4.906 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.753 -3.924 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.456 -3.773 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.843 -6.767 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.026 -5.632 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.012 -7.112 -0.584 1.00 0.00 H new ATOM 260 N HIS A 18 -6.526 -4.361 -2.347 1.00 0.00 N ATOM 261 CA HIS A 18 -7.436 -3.412 -3.044 1.00 0.00 C ATOM 262 C HIS A 18 -8.412 -2.791 -2.042 1.00 0.00 C ATOM 263 O HIS A 18 -8.527 -1.586 -1.940 1.00 0.00 O ATOM 264 CB HIS A 18 -8.190 -4.263 -4.064 1.00 0.00 C ATOM 265 CG HIS A 18 -7.367 -4.379 -5.316 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.900 -4.117 -6.583 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.050 -4.724 -5.523 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.917 -4.307 -7.486 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.797 -4.671 -6.879 1.00 0.00 N ATOM 0 H HIS A 18 -6.767 -5.347 -2.450 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.896 -2.592 -3.517 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.390 -5.253 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.156 -3.811 -4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.338 -4.990 -4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.027 -4.180 -8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.907 -4.876 -7.333 1.00 0.00 H new ATOM 277 N SER A 19 -9.115 -3.605 -1.299 1.00 0.00 N ATOM 278 CA SER A 19 -10.078 -3.052 -0.304 1.00 0.00 C ATOM 279 C SER A 19 -9.331 -2.221 0.736 1.00 0.00 C ATOM 280 O SER A 19 -9.787 -1.175 1.155 1.00 0.00 O ATOM 281 CB SER A 19 -10.733 -4.268 0.349 1.00 0.00 C ATOM 282 OG SER A 19 -11.828 -3.837 1.147 1.00 0.00 O ATOM 0 H SER A 19 -9.064 -4.623 -1.338 1.00 0.00 H new ATOM 0 HA SER A 19 -10.819 -2.400 -0.767 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.077 -4.965 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.007 -4.801 0.963 1.00 0.00 H new ATOM 0 HG SER A 19 -12.253 -4.614 1.567 1.00 0.00 H new ATOM 288 N SER A 20 -8.181 -2.672 1.150 1.00 0.00 N ATOM 289 CA SER A 20 -7.402 -1.899 2.155 1.00 0.00 C ATOM 290 C SER A 20 -7.156 -0.488 1.626 1.00 0.00 C ATOM 291 O SER A 20 -7.309 0.490 2.330 1.00 0.00 O ATOM 292 CB SER A 20 -6.084 -2.656 2.317 1.00 0.00 C ATOM 293 OG SER A 20 -5.155 -1.838 3.013 1.00 0.00 O ATOM 0 H SER A 20 -7.748 -3.541 0.837 1.00 0.00 H new ATOM 0 HA SER A 20 -7.922 -1.805 3.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.249 -3.584 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.685 -2.928 1.340 1.00 0.00 H new ATOM 0 HG SER A 20 -4.309 -2.321 3.120 1.00 0.00 H new