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 170:sc= -3.6! 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 100:sc= 1.15 USER MOD Single : A 10 GLN : amide:sc= -0.872 K(o=-0.87,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.546 K(o=-0.55,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -109:sc= 0.806 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -7.473 -23.302 2.027 1.00 0.00 N ATOM 50 CA THR A 4 -6.202 -23.230 2.785 1.00 0.00 C ATOM 51 C THR A 4 -5.813 -21.771 2.944 1.00 0.00 C ATOM 52 O THR A 4 -5.750 -21.025 1.987 1.00 0.00 O ATOM 53 CB THR A 4 -5.181 -23.994 1.939 1.00 0.00 C ATOM 54 OG1 THR A 4 -3.868 -23.676 2.381 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.343 -23.611 0.468 1.00 0.00 C ATOM 0 HA THR A 4 -6.270 -23.660 3.784 1.00 0.00 H new ATOM 0 HB THR A 4 -5.347 -25.066 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.224 -24.279 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.615 -24.156 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.350 -23.863 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.180 -22.540 0.351 1.00 0.00 H new ATOM 63 N ALA A 5 -5.564 -21.361 4.152 1.00 0.00 N ATOM 64 CA ALA A 5 -5.180 -19.947 4.403 1.00 0.00 C ATOM 65 C ALA A 5 -4.214 -19.457 3.324 1.00 0.00 C ATOM 66 O ALA A 5 -4.081 -18.273 3.099 1.00 0.00 O ATOM 67 CB ALA A 5 -4.498 -19.958 5.771 1.00 0.00 C ATOM 0 H ALA A 5 -5.610 -21.949 4.984 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.040 -19.278 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.184 -18.947 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.197 -20.324 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.626 -20.611 5.738 1.00 0.00 H new ATOM 73 N THR A 6 -3.546 -20.351 2.647 1.00 0.00 N ATOM 74 CA THR A 6 -2.605 -19.911 1.579 1.00 0.00 C ATOM 75 C THR A 6 -3.396 -19.480 0.342 1.00 0.00 C ATOM 76 O THR A 6 -3.051 -18.527 -0.322 1.00 0.00 O ATOM 77 CB THR A 6 -1.733 -21.132 1.270 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.605 -20.723 0.506 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.545 -22.157 0.478 1.00 0.00 C ATOM 0 H THR A 6 -3.610 -21.359 2.786 1.00 0.00 H new ATOM 0 HA THR A 6 -1.997 -19.060 1.887 1.00 0.00 H new ATOM 0 HB THR A 6 -1.397 -21.585 2.203 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.044 -21.502 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.922 -23.024 0.260 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.409 -22.469 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.884 -21.709 -0.456 1.00 0.00 H new ATOM 87 N CYS A 7 -4.464 -20.167 0.036 1.00 0.00 N ATOM 88 CA CYS A 7 -5.282 -19.785 -1.152 1.00 0.00 C ATOM 89 C CYS A 7 -6.244 -18.665 -0.776 1.00 0.00 C ATOM 90 O CYS A 7 -6.173 -17.571 -1.299 1.00 0.00 O ATOM 91 CB CYS A 7 -6.050 -21.048 -1.531 1.00 0.00 C ATOM 92 SG CYS A 7 -7.219 -20.671 -2.861 1.00 0.00 S ATOM 0 H CYS A 7 -4.805 -20.975 0.556 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.672 -19.422 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.356 -21.825 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.583 -21.436 -0.663 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.871 -21.748 -3.184 1.00 0.00 H new ATOM 97 N ALA A 8 -7.138 -18.930 0.135 1.00 0.00 N ATOM 98 CA ALA A 8 -8.100 -17.875 0.556 1.00 0.00 C ATOM 99 C ALA A 8 -7.352 -16.554 0.724 1.00 0.00 C ATOM 100 O ALA A 8 -7.594 -15.601 0.013 1.00 0.00 O ATOM 101 CB ALA A 8 -8.665 -18.350 1.896 1.00 0.00 C ATOM 0 H ALA A 8 -7.244 -19.829 0.605 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.895 -17.715 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.383 -17.619 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.161 -19.311 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.853 -18.459 2.615 1.00 0.00 H new ATOM 107 N THR A 9 -6.432 -16.498 1.646 1.00 0.00 N ATOM 108 CA THR A 9 -5.661 -15.241 1.840 1.00 0.00 C ATOM 109 C THR A 9 -5.152 -14.733 0.492 1.00 0.00 C ATOM 110 O THR A 9 -5.189 -13.556 0.212 1.00 0.00 O ATOM 111 CB THR A 9 -4.487 -15.623 2.741 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.980 -16.082 3.991 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.588 -14.404 2.960 1.00 0.00 C ATOM 0 H THR A 9 -6.182 -17.265 2.270 1.00 0.00 H new ATOM 0 HA THR A 9 -6.267 -14.449 2.280 1.00 0.00 H new ATOM 0 HB THR A 9 -3.909 -16.415 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.974 -17.062 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.752 -14.679 3.603 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.208 -14.055 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.163 -13.608 3.434 1.00 0.00 H new ATOM 121 N GLN A 10 -4.670 -15.610 -0.347 1.00 0.00 N ATOM 122 CA GLN A 10 -4.159 -15.151 -1.664 1.00 0.00 C ATOM 123 C GLN A 10 -5.272 -14.480 -2.481 1.00 0.00 C ATOM 124 O GLN A 10 -5.031 -13.559 -3.239 1.00 0.00 O ATOM 125 CB GLN A 10 -3.680 -16.419 -2.370 1.00 0.00 C ATOM 126 CG GLN A 10 -2.830 -16.044 -3.584 1.00 0.00 C ATOM 127 CD GLN A 10 -2.564 -17.292 -4.428 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.218 -17.191 -5.588 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.710 -18.475 -3.892 1.00 0.00 N ATOM 0 H GLN A 10 -4.609 -16.614 -0.177 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.365 -14.413 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.098 -17.032 -1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.535 -17.017 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.343 -15.291 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.887 -15.604 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.000 -18.561 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.533 -19.312 -4.448 1.00 0.00 H new ATOM 138 N ARG A 11 -6.493 -14.908 -2.316 1.00 0.00 N ATOM 139 CA ARG A 11 -7.602 -14.276 -3.081 1.00 0.00 C ATOM 140 C ARG A 11 -8.172 -13.165 -2.236 1.00 0.00 C ATOM 141 O ARG A 11 -8.407 -12.059 -2.683 1.00 0.00 O ATOM 142 CB ARG A 11 -8.635 -15.384 -3.294 1.00 0.00 C ATOM 143 CG ARG A 11 -9.837 -14.816 -4.050 1.00 0.00 C ATOM 144 CD ARG A 11 -10.707 -15.961 -4.577 1.00 0.00 C ATOM 145 NE ARG A 11 -11.476 -16.440 -3.395 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.776 -16.325 -3.370 1.00 0.00 C ATOM 147 NH1 ARG A 11 -13.466 -16.460 -4.472 1.00 0.00 N ATOM 148 NH2 ARG A 11 -13.385 -16.072 -2.244 1.00 0.00 N ATOM 0 H ARG A 11 -6.769 -15.663 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.287 -13.855 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.193 -16.206 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.953 -15.790 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.423 -14.175 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.497 -14.195 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.374 -15.618 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.096 -16.759 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.986 -16.858 -2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.989 -16.655 -5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.482 -16.370 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.845 -15.964 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.401 -15.982 -2.223 1.00 0.00 H new ATOM 162 N LEU A 12 -8.366 -13.468 -1.000 1.00 0.00 N ATOM 163 CA LEU A 12 -8.888 -12.476 -0.051 1.00 0.00 C ATOM 164 C LEU A 12 -7.912 -11.310 0.056 1.00 0.00 C ATOM 165 O LEU A 12 -8.294 -10.158 -0.003 1.00 0.00 O ATOM 166 CB LEU A 12 -8.976 -13.261 1.246 1.00 0.00 C ATOM 167 CG LEU A 12 -10.371 -13.869 1.383 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.469 -15.112 0.497 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.617 -14.260 2.842 1.00 0.00 C ATOM 0 H LEU A 12 -8.179 -14.386 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.846 -12.040 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.222 -14.048 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.768 -12.608 2.093 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.120 -13.140 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.463 -15.549 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.293 -14.833 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.721 -15.841 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.612 -14.694 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.871 -14.991 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.544 -13.374 3.473 1.00 0.00 H new ATOM 181 N ALA A 13 -6.651 -11.599 0.184 1.00 0.00 N ATOM 182 CA ALA A 13 -5.653 -10.503 0.258 1.00 0.00 C ATOM 183 C ALA A 13 -5.622 -9.791 -1.090 1.00 0.00 C ATOM 184 O ALA A 13 -5.347 -8.611 -1.181 1.00 0.00 O ATOM 185 CB ALA A 13 -4.313 -11.180 0.553 1.00 0.00 C ATOM 0 H ALA A 13 -6.269 -12.543 0.240 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.885 -9.764 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.531 -10.424 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.378 -11.720 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.074 -11.879 -0.249 1.00 0.00 H new ATOM 191 N ASN A 14 -5.930 -10.506 -2.142 1.00 0.00 N ATOM 192 CA ASN A 14 -5.948 -9.879 -3.488 1.00 0.00 C ATOM 193 C ASN A 14 -6.857 -8.652 -3.451 1.00 0.00 C ATOM 194 O ASN A 14 -6.527 -7.608 -3.975 1.00 0.00 O ATOM 195 CB ASN A 14 -6.518 -10.950 -4.420 1.00 0.00 C ATOM 196 CG ASN A 14 -5.981 -10.734 -5.837 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.518 -11.661 -6.471 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.024 -9.540 -6.361 1.00 0.00 N ATOM 0 H ASN A 14 -6.169 -11.497 -2.122 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.963 -9.550 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.242 -11.942 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.607 -10.903 -4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.669 -9.384 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.413 -8.763 -5.827 1.00 0.00 H new ATOM 205 N PHE A 15 -7.992 -8.764 -2.811 1.00 0.00 N ATOM 206 CA PHE A 15 -8.907 -7.595 -2.714 1.00 0.00 C ATOM 207 C PHE A 15 -8.526 -6.785 -1.480 1.00 0.00 C ATOM 208 O PHE A 15 -8.876 -5.629 -1.347 1.00 0.00 O ATOM 209 CB PHE A 15 -10.327 -8.161 -2.551 1.00 0.00 C ATOM 210 CG PHE A 15 -10.451 -9.493 -3.251 1.00 0.00 C ATOM 211 CD1 PHE A 15 -9.862 -9.682 -4.506 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.153 -10.537 -2.640 1.00 0.00 C ATOM 213 CE1 PHE A 15 -9.980 -10.917 -5.152 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.270 -11.772 -3.284 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.682 -11.963 -4.542 1.00 0.00 C ATOM 0 H PHE A 15 -8.322 -9.614 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.846 -6.952 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.559 -8.277 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.053 -7.459 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.317 -8.876 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.605 -10.389 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.529 -11.064 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.813 -12.578 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.771 -12.917 -5.040 1.00 0.00 H new ATOM 225 N LEU A 16 -7.801 -7.385 -0.574 1.00 0.00 N ATOM 226 CA LEU A 16 -7.392 -6.640 0.650 1.00 0.00 C ATOM 227 C LEU A 16 -6.333 -5.604 0.284 1.00 0.00 C ATOM 228 O LEU A 16 -6.308 -4.510 0.808 1.00 0.00 O ATOM 229 CB LEU A 16 -6.816 -7.694 1.593 1.00 0.00 C ATOM 230 CG LEU A 16 -7.081 -7.280 3.041 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.570 -7.436 3.350 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.267 -8.171 3.981 1.00 0.00 C ATOM 0 H LEU A 16 -7.477 -8.351 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.223 -6.107 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.270 -8.664 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.745 -7.802 1.424 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.788 -6.240 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.760 -7.141 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.149 -6.802 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.864 -8.476 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.455 -7.877 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.560 -9.211 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.206 -8.060 3.759 1.00 0.00 H new ATOM 244 N VAL A 17 -5.467 -5.933 -0.629 1.00 0.00 N ATOM 245 CA VAL A 17 -4.427 -4.957 -1.043 1.00 0.00 C ATOM 246 C VAL A 17 -4.975 -4.080 -2.169 1.00 0.00 C ATOM 247 O VAL A 17 -4.681 -2.907 -2.261 1.00 0.00 O ATOM 248 CB VAL A 17 -3.256 -5.807 -1.540 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.067 -4.901 -1.858 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.855 -6.810 -0.457 1.00 0.00 C ATOM 0 H VAL A 17 -5.434 -6.834 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.123 -4.295 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.556 -6.344 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.233 -5.506 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.350 -4.186 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.769 -4.363 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.021 -7.415 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.556 -6.273 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.702 -7.458 -0.229 1.00 0.00 H new ATOM 260 N HIS A 18 -5.776 -4.649 -3.026 1.00 0.00 N ATOM 261 CA HIS A 18 -6.347 -3.860 -4.155 1.00 0.00 C ATOM 262 C HIS A 18 -7.530 -3.005 -3.691 1.00 0.00 C ATOM 263 O HIS A 18 -7.618 -1.833 -4.003 1.00 0.00 O ATOM 264 CB HIS A 18 -6.823 -4.911 -5.159 1.00 0.00 C ATOM 265 CG HIS A 18 -5.668 -5.359 -6.014 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.752 -5.426 -7.410 1.00 0.00 N ATOM 267 CD2 HIS A 18 -4.393 -5.768 -5.693 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.560 -5.860 -7.871 1.00 0.00 C ATOM 269 NE2 HIS A 18 -3.727 -6.073 -6.863 1.00 0.00 N ATOM 0 H HIS A 18 -6.061 -5.628 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.614 -3.172 -4.577 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.249 -5.764 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.613 -4.497 -5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.984 -5.838 -4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.320 -6.012 -8.913 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.765 -6.403 -6.938 1.00 0.00 H new ATOM 277 N SER A 19 -8.458 -3.580 -2.977 1.00 0.00 N ATOM 278 CA SER A 19 -9.645 -2.785 -2.540 1.00 0.00 C ATOM 279 C SER A 19 -9.424 -2.109 -1.182 1.00 0.00 C ATOM 280 O SER A 19 -9.992 -1.072 -0.906 1.00 0.00 O ATOM 281 CB SER A 19 -10.785 -3.799 -2.450 1.00 0.00 C ATOM 282 OG SER A 19 -11.702 -3.567 -3.513 1.00 0.00 O ATOM 0 H SER A 19 -8.449 -4.555 -2.679 1.00 0.00 H new ATOM 0 HA SER A 19 -9.852 -1.975 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.391 -4.814 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.293 -3.709 -1.490 1.00 0.00 H new ATOM 0 HG SER A 19 -12.434 -4.216 -3.461 1.00 0.00 H new ATOM 288 N SER A 20 -8.631 -2.683 -0.321 1.00 0.00 N ATOM 289 CA SER A 20 -8.426 -2.053 1.018 1.00 0.00 C ATOM 290 C SER A 20 -7.232 -1.088 1.022 1.00 0.00 C ATOM 291 O SER A 20 -7.189 -0.160 1.805 1.00 0.00 O ATOM 292 CB SER A 20 -8.188 -3.218 1.977 1.00 0.00 C ATOM 293 OG SER A 20 -6.895 -3.103 2.556 1.00 0.00 O ATOM 0 H SER A 20 -8.120 -3.551 -0.481 1.00 0.00 H new ATOM 0 HA SER A 20 -9.288 -1.451 1.306 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.948 -3.220 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.276 -4.165 1.444 1.00 0.00 H new ATOM 0 HG SER A 20 -6.312 -3.804 2.196 1.00 0.00 H new