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= -2.49 K(o=-5,f=-13!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -2.54 X(o=-5,f=-5.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 129:sc= 1 USER MOD Single : A 10 GLN : amide:sc= -0.589 K(o=-0.59,f=0) USER MOD Single : A 19 SER OG : rot -107:sc= 0.761 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -8.124 -23.226 -0.383 1.00 0.00 N ATOM 50 CA THR A 4 -8.828 -22.228 0.508 1.00 0.00 C ATOM 51 C THR A 4 -7.831 -21.487 1.370 1.00 0.00 C ATOM 52 O THR A 4 -7.352 -20.447 1.001 1.00 0.00 O ATOM 53 CB THR A 4 -9.851 -22.969 1.392 1.00 0.00 C ATOM 54 OG1 THR A 4 -11.038 -23.199 0.646 1.00 0.00 O ATOM 55 CG2 THR A 4 -10.195 -22.124 2.623 1.00 0.00 C ATOM 0 HA THR A 4 -9.346 -21.498 -0.114 1.00 0.00 H new ATOM 0 HB THR A 4 -9.419 -23.917 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.689 -23.672 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.918 -22.657 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.290 -21.940 3.202 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.622 -21.173 2.304 1.00 0.00 H new ATOM 63 N ALA A 5 -7.496 -21.998 2.512 1.00 0.00 N ATOM 64 CA ALA A 5 -6.509 -21.271 3.351 1.00 0.00 C ATOM 65 C ALA A 5 -5.366 -20.776 2.460 1.00 0.00 C ATOM 66 O ALA A 5 -4.687 -19.819 2.772 1.00 0.00 O ATOM 67 CB ALA A 5 -6.002 -22.305 4.357 1.00 0.00 C ATOM 0 H ALA A 5 -7.853 -22.872 2.899 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.935 -20.403 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.266 -21.842 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.838 -22.675 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.540 -23.136 3.823 1.00 0.00 H new ATOM 73 N THR A 6 -5.178 -21.412 1.327 1.00 0.00 N ATOM 74 CA THR A 6 -4.093 -20.985 0.398 1.00 0.00 C ATOM 75 C THR A 6 -4.619 -19.989 -0.633 1.00 0.00 C ATOM 76 O THR A 6 -4.132 -18.883 -0.747 1.00 0.00 O ATOM 77 CB THR A 6 -3.632 -22.272 -0.284 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.894 -23.376 0.571 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.131 -22.187 -0.570 1.00 0.00 C ATOM 0 H THR A 6 -5.731 -22.208 1.009 1.00 0.00 H new ATOM 0 HA THR A 6 -3.281 -20.483 0.923 1.00 0.00 H new ATOM 0 HB THR A 6 -4.171 -22.404 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.601 -24.204 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.801 -23.105 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.933 -21.338 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.589 -22.058 0.367 1.00 0.00 H new ATOM 87 N CYS A 7 -5.609 -20.377 -1.388 1.00 0.00 N ATOM 88 CA CYS A 7 -6.168 -19.457 -2.418 1.00 0.00 C ATOM 89 C CYS A 7 -7.061 -18.449 -1.719 1.00 0.00 C ATOM 90 O CYS A 7 -7.093 -17.281 -2.051 1.00 0.00 O ATOM 91 CB CYS A 7 -6.985 -20.347 -3.365 1.00 0.00 C ATOM 92 SG CYS A 7 -6.236 -20.332 -5.018 1.00 0.00 S ATOM 0 H CYS A 7 -6.056 -21.293 -1.336 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.402 -18.910 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.021 -21.366 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.014 -19.990 -3.418 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.930 -21.089 -5.816 1.00 0.00 H new ATOM 97 N ALA A 8 -7.764 -18.901 -0.726 1.00 0.00 N ATOM 98 CA ALA A 8 -8.641 -17.994 0.041 1.00 0.00 C ATOM 99 C ALA A 8 -7.783 -16.921 0.715 1.00 0.00 C ATOM 100 O ALA A 8 -8.025 -15.741 0.566 1.00 0.00 O ATOM 101 CB ALA A 8 -9.333 -18.868 1.085 1.00 0.00 C ATOM 0 H ALA A 8 -7.766 -19.871 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.372 -17.488 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.000 -18.254 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.910 -19.645 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.583 -19.330 1.728 1.00 0.00 H new ATOM 107 N THR A 9 -6.763 -17.318 1.446 1.00 0.00 N ATOM 108 CA THR A 9 -5.896 -16.300 2.100 1.00 0.00 C ATOM 109 C THR A 9 -5.276 -15.401 1.028 1.00 0.00 C ATOM 110 O THR A 9 -4.936 -14.261 1.275 1.00 0.00 O ATOM 111 CB THR A 9 -4.814 -17.105 2.825 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.405 -17.831 3.894 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.749 -16.157 3.378 1.00 0.00 C ATOM 0 H THR A 9 -6.502 -18.290 1.612 1.00 0.00 H new ATOM 0 HA THR A 9 -6.443 -15.657 2.789 1.00 0.00 H new ATOM 0 HB THR A 9 -4.348 -17.799 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.137 -18.772 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.981 -16.734 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.296 -15.600 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.210 -15.460 4.078 1.00 0.00 H new ATOM 121 N GLN A 10 -5.126 -15.914 -0.165 1.00 0.00 N ATOM 122 CA GLN A 10 -4.534 -15.108 -1.259 1.00 0.00 C ATOM 123 C GLN A 10 -5.625 -14.347 -2.023 1.00 0.00 C ATOM 124 O GLN A 10 -5.355 -13.379 -2.707 1.00 0.00 O ATOM 125 CB GLN A 10 -3.850 -16.125 -2.176 1.00 0.00 C ATOM 126 CG GLN A 10 -2.499 -15.576 -2.635 1.00 0.00 C ATOM 127 CD GLN A 10 -1.403 -16.061 -1.684 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.370 -16.532 -2.118 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.586 -15.966 -0.396 1.00 0.00 N ATOM 0 H GLN A 10 -5.392 -16.864 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.837 -14.360 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.710 -17.069 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.482 -16.333 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.286 -15.907 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.524 -14.486 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.453 -15.571 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.862 -16.287 0.247 1.00 0.00 H new ATOM 138 N ARG A 11 -6.860 -14.751 -1.887 1.00 0.00 N ATOM 139 CA ARG A 11 -7.956 -14.023 -2.585 1.00 0.00 C ATOM 140 C ARG A 11 -8.451 -12.966 -1.628 1.00 0.00 C ATOM 141 O ARG A 11 -8.724 -11.837 -1.982 1.00 0.00 O ATOM 142 CB ARG A 11 -9.039 -15.065 -2.863 1.00 0.00 C ATOM 143 CG ARG A 11 -9.306 -15.136 -4.368 1.00 0.00 C ATOM 144 CD ARG A 11 -8.663 -16.402 -4.942 1.00 0.00 C ATOM 145 NE ARG A 11 -9.490 -17.524 -4.419 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.251 -18.209 -5.229 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.718 -19.065 -6.059 1.00 0.00 N ATOM 148 NH2 ARG A 11 -11.545 -18.038 -5.211 1.00 0.00 N ATOM 0 H ARG A 11 -7.155 -15.550 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.652 -13.547 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.723 -16.040 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.955 -14.804 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.379 -15.142 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.900 -14.253 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.663 -16.386 -6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.624 -16.496 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.462 -17.758 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.707 -19.199 -6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.313 -19.600 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.962 -17.369 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.139 -18.573 -5.844 1.00 0.00 H new ATOM 162 N LEU A 12 -8.517 -13.345 -0.393 1.00 0.00 N ATOM 163 CA LEU A 12 -8.933 -12.409 0.662 1.00 0.00 C ATOM 164 C LEU A 12 -7.930 -11.260 0.720 1.00 0.00 C ATOM 165 O LEU A 12 -8.290 -10.099 0.700 1.00 0.00 O ATOM 166 CB LEU A 12 -8.879 -13.263 1.919 1.00 0.00 C ATOM 167 CG LEU A 12 -10.251 -13.893 2.168 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.076 -15.247 2.856 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.081 -12.968 3.062 1.00 0.00 C ATOM 0 H LEU A 12 -8.295 -14.285 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.915 -11.961 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.124 -14.042 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.587 -12.653 2.774 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.763 -14.035 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.054 -15.694 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.486 -15.905 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.563 -15.108 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.059 -13.415 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.568 -12.825 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.208 -12.004 2.570 1.00 0.00 H new ATOM 181 N ALA A 13 -6.670 -11.583 0.760 1.00 0.00 N ATOM 182 CA ALA A 13 -5.629 -10.520 0.784 1.00 0.00 C ATOM 183 C ALA A 13 -5.678 -9.755 -0.539 1.00 0.00 C ATOM 184 O ALA A 13 -5.352 -8.587 -0.610 1.00 0.00 O ATOM 185 CB ALA A 13 -4.300 -11.262 0.940 1.00 0.00 C ATOM 0 H ALA A 13 -6.315 -12.539 0.777 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.770 -9.798 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.482 -10.542 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.309 -11.834 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.161 -11.940 0.098 1.00 0.00 H new ATOM 191 N ASN A 14 -6.111 -10.410 -1.585 1.00 0.00 N ATOM 192 CA ASN A 14 -6.217 -9.732 -2.903 1.00 0.00 C ATOM 193 C ASN A 14 -7.204 -8.580 -2.769 1.00 0.00 C ATOM 194 O ASN A 14 -6.941 -7.467 -3.180 1.00 0.00 O ATOM 195 CB ASN A 14 -6.756 -10.795 -3.862 1.00 0.00 C ATOM 196 CG ASN A 14 -6.426 -10.402 -5.304 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.112 -9.261 -5.578 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.486 -11.306 -6.243 1.00 0.00 N ATOM 0 H ASN A 14 -6.396 -11.389 -1.579 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.269 -9.329 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.317 -11.765 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.834 -10.896 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.269 -11.055 -7.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.750 -12.264 -6.013 1.00 0.00 H new ATOM 205 N PHE A 15 -8.331 -8.833 -2.160 1.00 0.00 N ATOM 206 CA PHE A 15 -9.314 -7.737 -1.964 1.00 0.00 C ATOM 207 C PHE A 15 -8.665 -6.682 -1.078 1.00 0.00 C ATOM 208 O PHE A 15 -9.048 -5.532 -1.070 1.00 0.00 O ATOM 209 CB PHE A 15 -10.516 -8.372 -1.257 1.00 0.00 C ATOM 210 CG PHE A 15 -10.823 -9.711 -1.880 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.796 -9.857 -3.270 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.127 -10.807 -1.065 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.071 -11.101 -3.848 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.404 -12.052 -1.642 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.376 -12.199 -3.034 1.00 0.00 C ATOM 0 H PHE A 15 -8.609 -9.743 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.625 -7.267 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.303 -8.494 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.384 -7.717 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.563 -9.010 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.148 -10.692 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.048 -11.215 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.639 -12.898 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.590 -13.159 -3.480 1.00 0.00 H new ATOM 225 N LEU A 16 -7.662 -7.073 -0.338 1.00 0.00 N ATOM 226 CA LEU A 16 -6.968 -6.093 0.543 1.00 0.00 C ATOM 227 C LEU A 16 -6.262 -5.041 -0.312 1.00 0.00 C ATOM 228 O LEU A 16 -6.462 -3.853 -0.147 1.00 0.00 O ATOM 229 CB LEU A 16 -5.950 -6.917 1.331 1.00 0.00 C ATOM 230 CG LEU A 16 -5.989 -6.503 2.803 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.887 -4.980 2.911 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.304 -6.970 3.429 1.00 0.00 C ATOM 0 H LEU A 16 -7.295 -8.024 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.656 -5.564 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.174 -7.979 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.950 -6.764 0.925 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.151 -6.961 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.915 -4.687 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.950 -4.646 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.723 -4.521 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.332 -6.675 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.141 -6.513 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.377 -8.055 3.355 1.00 0.00 H new ATOM 244 N VAL A 17 -5.440 -5.467 -1.233 1.00 0.00 N ATOM 245 CA VAL A 17 -4.727 -4.489 -2.104 1.00 0.00 C ATOM 246 C VAL A 17 -5.657 -4.013 -3.223 1.00 0.00 C ATOM 247 O VAL A 17 -5.485 -2.945 -3.775 1.00 0.00 O ATOM 248 CB VAL A 17 -3.541 -5.258 -2.683 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.952 -4.475 -3.858 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.472 -5.436 -1.603 1.00 0.00 C ATOM 0 H VAL A 17 -5.232 -6.448 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.404 -3.604 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.875 -6.236 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.105 -5.023 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.713 -4.347 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.617 -3.497 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.626 -5.985 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.137 -4.458 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.891 -5.992 -0.765 1.00 0.00 H new ATOM 260 N HIS A 18 -6.644 -4.799 -3.559 1.00 0.00 N ATOM 261 CA HIS A 18 -7.588 -4.390 -4.637 1.00 0.00 C ATOM 262 C HIS A 18 -8.702 -3.517 -4.053 1.00 0.00 C ATOM 263 O HIS A 18 -8.850 -2.364 -4.410 1.00 0.00 O ATOM 264 CB HIS A 18 -8.161 -5.698 -5.181 1.00 0.00 C ATOM 265 CG HIS A 18 -7.139 -6.374 -6.054 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.492 -7.044 -7.232 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.772 -6.498 -5.944 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.359 -7.535 -7.777 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.314 -7.224 -7.025 1.00 0.00 N ATOM 0 H HIS A 18 -6.837 -5.706 -3.134 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.099 -3.806 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.441 -6.354 -4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.068 -5.499 -5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.163 -6.096 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.311 -8.101 -8.696 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.343 -7.476 -7.211 1.00 0.00 H new ATOM 277 N SER A 19 -9.485 -4.053 -3.156 1.00 0.00 N ATOM 278 CA SER A 19 -10.584 -3.243 -2.552 1.00 0.00 C ATOM 279 C SER A 19 -10.024 -1.920 -2.031 1.00 0.00 C ATOM 280 O SER A 19 -10.643 -0.882 -2.149 1.00 0.00 O ATOM 281 CB SER A 19 -11.121 -4.089 -1.399 1.00 0.00 C ATOM 282 OG SER A 19 -10.379 -3.802 -0.221 1.00 0.00 O ATOM 0 H SER A 19 -9.413 -5.012 -2.816 1.00 0.00 H new ATOM 0 HA SER A 19 -11.366 -3.003 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.178 -3.876 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.043 -5.148 -1.643 1.00 0.00 H new ATOM 0 HG SER A 19 -9.788 -4.556 -0.015 1.00 0.00 H new ATOM 288 N SER A 20 -8.851 -1.950 -1.464 1.00 0.00 N ATOM 289 CA SER A 20 -8.245 -0.694 -0.944 1.00 0.00 C ATOM 290 C SER A 20 -7.959 0.257 -2.103 1.00 0.00 C ATOM 291 O SER A 20 -8.249 1.433 -2.042 1.00 0.00 O ATOM 292 CB SER A 20 -6.944 -1.128 -0.270 1.00 0.00 C ATOM 293 OG SER A 20 -6.273 0.019 0.236 1.00 0.00 O ATOM 0 H SER A 20 -8.286 -2.790 -1.338 1.00 0.00 H new ATOM 0 HA SER A 20 -8.902 -0.169 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.156 -1.827 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.308 -1.651 -0.984 1.00 0.00 H new ATOM 0 HG SER A 20 -5.439 -0.255 0.671 1.00 0.00 H new