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 4 THR OG1 : rot 39:sc= 0.375! USER MOD Set 1.2: A 7 CYS SG : rot -54:sc= -2.5! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -111:sc= 0.206 USER MOD Single : A 10 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.79) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-2.4!) 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 -8.747 -23.639 0.062 1.00 0.00 N ATOM 50 CA THR A 4 -7.386 -23.848 0.621 1.00 0.00 C ATOM 51 C THR A 4 -6.966 -22.579 1.365 1.00 0.00 C ATOM 52 O THR A 4 -6.775 -21.538 0.777 1.00 0.00 O ATOM 53 CB THR A 4 -6.448 -24.099 -0.573 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.090 -23.765 -1.795 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.018 -25.570 -0.599 1.00 0.00 C ATOM 0 HA THR A 4 -7.353 -24.688 1.314 1.00 0.00 H new ATOM 0 HB THR A 4 -5.568 -23.466 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.625 -22.953 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.354 -25.740 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.495 -25.813 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.899 -26.205 -0.695 1.00 0.00 H new ATOM 63 N ALA A 5 -6.826 -22.662 2.654 1.00 0.00 N ATOM 64 CA ALA A 5 -6.412 -21.466 3.457 1.00 0.00 C ATOM 65 C ALA A 5 -5.285 -20.685 2.759 1.00 0.00 C ATOM 66 O ALA A 5 -5.030 -19.541 3.078 1.00 0.00 O ATOM 67 CB ALA A 5 -5.915 -22.037 4.785 1.00 0.00 C ATOM 0 H ALA A 5 -6.980 -23.511 3.198 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.237 -20.765 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.592 -21.222 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.722 -22.588 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.077 -22.709 4.601 1.00 0.00 H new ATOM 73 N THR A 6 -4.620 -21.283 1.804 1.00 0.00 N ATOM 74 CA THR A 6 -3.533 -20.568 1.083 1.00 0.00 C ATOM 75 C THR A 6 -4.153 -19.803 -0.079 1.00 0.00 C ATOM 76 O THR A 6 -3.686 -18.755 -0.481 1.00 0.00 O ATOM 77 CB THR A 6 -2.606 -21.674 0.568 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.617 -21.105 -0.280 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.425 -22.706 -0.218 1.00 0.00 C ATOM 0 H THR A 6 -4.787 -22.240 1.494 1.00 0.00 H new ATOM 0 HA THR A 6 -2.992 -19.857 1.707 1.00 0.00 H new ATOM 0 HB THR A 6 -2.122 -22.165 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.022 -21.811 -0.609 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.765 -23.492 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.182 -23.142 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.911 -22.218 -1.063 1.00 0.00 H new ATOM 87 N CYS A 7 -5.221 -20.329 -0.606 1.00 0.00 N ATOM 88 CA CYS A 7 -5.918 -19.664 -1.731 1.00 0.00 C ATOM 89 C CYS A 7 -6.887 -18.626 -1.166 1.00 0.00 C ATOM 90 O CYS A 7 -7.033 -17.541 -1.694 1.00 0.00 O ATOM 91 CB CYS A 7 -6.650 -20.803 -2.450 1.00 0.00 C ATOM 92 SG CYS A 7 -8.152 -21.259 -1.549 1.00 0.00 S ATOM 0 H CYS A 7 -5.644 -21.205 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.255 -19.133 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.906 -20.496 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.993 -21.669 -2.536 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.852 -21.526 -0.313 1.00 0.00 H new ATOM 97 N ALA A 8 -7.524 -18.941 -0.071 1.00 0.00 N ATOM 98 CA ALA A 8 -8.452 -17.964 0.556 1.00 0.00 C ATOM 99 C ALA A 8 -7.635 -16.768 1.018 1.00 0.00 C ATOM 100 O ALA A 8 -7.966 -15.630 0.754 1.00 0.00 O ATOM 101 CB ALA A 8 -9.065 -18.696 1.749 1.00 0.00 C ATOM 0 H ALA A 8 -7.440 -19.834 0.415 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.228 -17.607 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.763 -18.035 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.595 -19.582 1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.275 -18.994 2.438 1.00 0.00 H new ATOM 107 N THR A 9 -6.539 -17.024 1.678 1.00 0.00 N ATOM 108 CA THR A 9 -5.673 -15.904 2.121 1.00 0.00 C ATOM 109 C THR A 9 -5.248 -15.122 0.883 1.00 0.00 C ATOM 110 O THR A 9 -5.243 -13.909 0.868 1.00 0.00 O ATOM 111 CB THR A 9 -4.465 -16.568 2.783 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.079 -17.707 2.025 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.830 -16.996 4.206 1.00 0.00 C ATOM 0 H THR A 9 -6.210 -17.957 1.927 1.00 0.00 H new ATOM 0 HA THR A 9 -6.166 -15.217 2.809 1.00 0.00 H new ATOM 0 HB THR A 9 -3.637 -15.860 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.275 -18.521 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.968 -17.469 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.124 -16.121 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.658 -17.704 4.172 1.00 0.00 H new ATOM 121 N GLN A 10 -4.907 -15.824 -0.167 1.00 0.00 N ATOM 122 CA GLN A 10 -4.500 -15.142 -1.420 1.00 0.00 C ATOM 123 C GLN A 10 -5.737 -14.584 -2.133 1.00 0.00 C ATOM 124 O GLN A 10 -5.641 -13.750 -3.015 1.00 0.00 O ATOM 125 CB GLN A 10 -3.837 -16.229 -2.268 1.00 0.00 C ATOM 126 CG GLN A 10 -2.505 -16.637 -1.634 1.00 0.00 C ATOM 127 CD GLN A 10 -1.524 -15.463 -1.693 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.672 -15.412 -2.557 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.609 -14.513 -0.802 1.00 0.00 N ATOM 0 H GLN A 10 -4.895 -16.843 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.827 -14.304 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.494 -17.095 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.672 -15.863 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.662 -16.941 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.090 -17.497 -2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.325 -14.557 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.960 -13.727 -0.831 1.00 0.00 H new ATOM 138 N ARG A 11 -6.904 -15.008 -1.730 1.00 0.00 N ATOM 139 CA ARG A 11 -8.145 -14.485 -2.360 1.00 0.00 C ATOM 140 C ARG A 11 -8.551 -13.273 -1.560 1.00 0.00 C ATOM 141 O ARG A 11 -8.885 -12.226 -2.078 1.00 0.00 O ATOM 142 CB ARG A 11 -9.171 -15.612 -2.218 1.00 0.00 C ATOM 143 CG ARG A 11 -10.468 -15.230 -2.936 1.00 0.00 C ATOM 144 CD ARG A 11 -10.149 -14.629 -4.308 1.00 0.00 C ATOM 145 NE ARG A 11 -9.255 -15.612 -4.975 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.862 -15.398 -6.199 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.747 -15.221 -7.141 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.588 -15.351 -6.480 1.00 0.00 N ATOM 0 H ARG A 11 -7.049 -15.695 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.040 -14.201 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.771 -16.535 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.371 -15.802 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.101 -16.109 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.028 -14.512 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.058 -14.470 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.661 -13.660 -4.208 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.951 -16.449 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.742 -15.250 -6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.444 -15.053 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.898 -15.482 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.283 -15.183 -7.439 1.00 0.00 H new ATOM 162 N LEU A 12 -8.458 -13.419 -0.279 1.00 0.00 N ATOM 163 CA LEU A 12 -8.760 -12.304 0.632 1.00 0.00 C ATOM 164 C LEU A 12 -7.776 -11.169 0.362 1.00 0.00 C ATOM 165 O LEU A 12 -8.149 -10.018 0.257 1.00 0.00 O ATOM 166 CB LEU A 12 -8.541 -12.918 2.010 1.00 0.00 C ATOM 167 CG LEU A 12 -9.861 -13.468 2.555 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.954 -14.965 2.253 1.00 0.00 C ATOM 169 CD2 LEU A 12 -9.916 -13.249 4.069 1.00 0.00 C ATOM 0 H LEU A 12 -8.179 -14.285 0.183 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.760 -11.884 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.803 -13.718 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.141 -12.168 2.692 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.695 -12.950 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.894 -15.357 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.913 -15.122 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.121 -15.484 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.856 -13.640 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.082 -13.768 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.849 -12.183 4.285 1.00 0.00 H new ATOM 181 N ALA A 13 -6.522 -11.496 0.218 1.00 0.00 N ATOM 182 CA ALA A 13 -5.513 -10.444 -0.079 1.00 0.00 C ATOM 183 C ALA A 13 -5.804 -9.863 -1.460 1.00 0.00 C ATOM 184 O ALA A 13 -5.473 -8.732 -1.758 1.00 0.00 O ATOM 185 CB ALA A 13 -4.160 -11.157 -0.073 1.00 0.00 C ATOM 0 H ALA A 13 -6.154 -12.444 0.293 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.529 -9.628 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.369 -10.438 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.989 -11.605 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.156 -11.937 -0.835 1.00 0.00 H new ATOM 191 N ASN A 14 -6.437 -10.637 -2.300 1.00 0.00 N ATOM 192 CA ASN A 14 -6.774 -10.147 -3.662 1.00 0.00 C ATOM 193 C ASN A 14 -7.645 -8.900 -3.547 1.00 0.00 C ATOM 194 O ASN A 14 -7.429 -7.920 -4.226 1.00 0.00 O ATOM 195 CB ASN A 14 -7.553 -11.288 -4.319 1.00 0.00 C ATOM 196 CG ASN A 14 -7.368 -11.224 -5.836 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.322 -11.571 -6.348 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.347 -10.790 -6.583 1.00 0.00 N ATOM 0 H ASN A 14 -6.735 -11.591 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.892 -9.880 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.203 -12.248 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.611 -11.213 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.233 -10.742 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.225 -10.499 -6.154 1.00 0.00 H new ATOM 205 N PHE A 15 -8.619 -8.928 -2.676 1.00 0.00 N ATOM 206 CA PHE A 15 -9.494 -7.735 -2.504 1.00 0.00 C ATOM 207 C PHE A 15 -8.817 -6.764 -1.549 1.00 0.00 C ATOM 208 O PHE A 15 -9.128 -5.592 -1.511 1.00 0.00 O ATOM 209 CB PHE A 15 -10.802 -8.242 -1.884 1.00 0.00 C ATOM 210 CG PHE A 15 -11.093 -9.652 -2.341 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.867 -10.019 -3.670 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.591 -10.590 -1.429 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.136 -11.326 -4.089 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.859 -11.896 -1.846 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.634 -12.266 -3.176 1.00 0.00 C ATOM 0 H PHE A 15 -8.845 -9.723 -2.079 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.680 -7.226 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.731 -8.213 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.624 -7.585 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.485 -9.294 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.768 -10.304 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.960 -11.611 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.240 -12.620 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.844 -13.275 -3.499 1.00 0.00 H new ATOM 225 N LEU A 16 -7.886 -7.245 -0.776 1.00 0.00 N ATOM 226 CA LEU A 16 -7.185 -6.340 0.174 1.00 0.00 C ATOM 227 C LEU A 16 -6.257 -5.411 -0.608 1.00 0.00 C ATOM 228 O LEU A 16 -6.445 -4.214 -0.639 1.00 0.00 O ATOM 229 CB LEU A 16 -6.393 -7.266 1.093 1.00 0.00 C ATOM 230 CG LEU A 16 -6.703 -6.929 2.552 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.158 -7.288 2.862 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.775 -7.734 3.466 1.00 0.00 C ATOM 0 H LEU A 16 -7.582 -8.218 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.866 -5.708 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.649 -8.305 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.325 -7.157 0.903 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.549 -5.863 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.378 -7.048 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.820 -6.719 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.313 -8.354 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.993 -7.496 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.932 -8.799 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.738 -7.481 3.246 1.00 0.00 H new ATOM 244 N VAL A 17 -5.267 -5.953 -1.261 1.00 0.00 N ATOM 245 CA VAL A 17 -4.348 -5.088 -2.053 1.00 0.00 C ATOM 246 C VAL A 17 -5.135 -4.370 -3.153 1.00 0.00 C ATOM 247 O VAL A 17 -4.758 -3.311 -3.608 1.00 0.00 O ATOM 248 CB VAL A 17 -3.323 -6.045 -2.665 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.322 -5.255 -3.511 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.579 -6.773 -1.545 1.00 0.00 C ATOM 0 H VAL A 17 -5.055 -6.951 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.869 -4.322 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.836 -6.770 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.593 -5.939 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.851 -4.734 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.808 -4.528 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.848 -7.456 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.068 -6.045 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.291 -7.338 -0.943 1.00 0.00 H new ATOM 260 N HIS A 18 -6.228 -4.940 -3.581 1.00 0.00 N ATOM 261 CA HIS A 18 -7.035 -4.288 -4.652 1.00 0.00 C ATOM 262 C HIS A 18 -8.026 -3.290 -4.049 1.00 0.00 C ATOM 263 O HIS A 18 -8.088 -2.144 -4.446 1.00 0.00 O ATOM 264 CB HIS A 18 -7.793 -5.431 -5.326 1.00 0.00 C ATOM 265 CG HIS A 18 -6.851 -6.229 -6.186 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.069 -6.412 -7.558 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.682 -6.898 -5.900 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.055 -7.162 -8.037 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.210 -7.468 -7.065 1.00 0.00 N ATOM 0 H HIS A 18 -6.597 -5.827 -3.237 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.408 -3.733 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.245 -6.075 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.606 -5.033 -5.933 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.214 -6.965 -4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.948 -7.469 -9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.361 -8.026 -7.160 1.00 0.00 H new ATOM 277 N SER A 19 -8.815 -3.723 -3.106 1.00 0.00 N ATOM 278 CA SER A 19 -9.820 -2.803 -2.496 1.00 0.00 C ATOM 279 C SER A 19 -9.171 -1.880 -1.456 1.00 0.00 C ATOM 280 O SER A 19 -9.665 -0.804 -1.180 1.00 0.00 O ATOM 281 CB SER A 19 -10.845 -3.727 -1.838 1.00 0.00 C ATOM 282 OG SER A 19 -12.134 -3.132 -1.916 1.00 0.00 O ATOM 0 H SER A 19 -8.809 -4.671 -2.731 1.00 0.00 H new ATOM 0 HA SER A 19 -10.272 -2.146 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.849 -4.697 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.576 -3.904 -0.797 1.00 0.00 H new ATOM 0 HG SER A 19 -12.793 -3.723 -1.496 1.00 0.00 H new ATOM 288 N SER A 20 -8.076 -2.287 -0.873 1.00 0.00 N ATOM 289 CA SER A 20 -7.414 -1.421 0.149 1.00 0.00 C ATOM 290 C SER A 20 -6.387 -0.495 -0.505 1.00 0.00 C ATOM 291 O SER A 20 -6.298 0.673 -0.180 1.00 0.00 O ATOM 292 CB SER A 20 -6.726 -2.388 1.111 1.00 0.00 C ATOM 293 OG SER A 20 -6.558 -1.756 2.372 1.00 0.00 O ATOM 0 H SER A 20 -7.612 -3.176 -1.058 1.00 0.00 H new ATOM 0 HA SER A 20 -8.132 -0.779 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.322 -3.294 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.758 -2.690 0.711 1.00 0.00 H new ATOM 0 HG SER A 20 -6.118 -2.375 2.992 1.00 0.00 H new