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 27:sc= 0.724 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 127:sc= 1.1 USER MOD Single : A 10 GLN : amide:sc= -0.617 K(o=-0.62,f=-0.042) USER MOD Single : A 14 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.5!) USER MOD Single : A 18 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.08) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -122:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 49 N THR A 4 -7.813 -23.812 0.203 1.00 0.00 N ATOM 50 CA THR A 4 -6.462 -23.939 0.802 1.00 0.00 C ATOM 51 C THR A 4 -6.054 -22.601 1.397 1.00 0.00 C ATOM 52 O THR A 4 -6.000 -21.597 0.716 1.00 0.00 O ATOM 53 CB THR A 4 -5.547 -24.338 -0.355 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.221 -25.273 -1.185 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.273 -24.974 0.202 1.00 0.00 C ATOM 0 HA THR A 4 -6.416 -24.674 1.605 1.00 0.00 H new ATOM 0 HB THR A 4 -5.286 -23.455 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.189 -25.137 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.619 -25.259 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.759 -24.257 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.532 -25.859 0.783 1.00 0.00 H new ATOM 63 N ALA A 5 -5.775 -22.587 2.670 1.00 0.00 N ATOM 64 CA ALA A 5 -5.369 -21.321 3.342 1.00 0.00 C ATOM 65 C ALA A 5 -4.447 -20.510 2.431 1.00 0.00 C ATOM 66 O ALA A 5 -4.356 -19.307 2.547 1.00 0.00 O ATOM 67 CB ALA A 5 -4.629 -21.764 4.605 1.00 0.00 C ATOM 0 H ALA A 5 -5.811 -23.405 3.279 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.222 -20.683 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.296 -20.886 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.298 -22.355 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.765 -22.367 4.328 1.00 0.00 H new ATOM 73 N THR A 6 -3.775 -21.154 1.516 1.00 0.00 N ATOM 74 CA THR A 6 -2.878 -20.407 0.591 1.00 0.00 C ATOM 75 C THR A 6 -3.723 -19.660 -0.442 1.00 0.00 C ATOM 76 O THR A 6 -3.448 -18.529 -0.786 1.00 0.00 O ATOM 77 CB THR A 6 -2.025 -21.476 -0.092 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.018 -20.850 -0.875 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.917 -22.328 -0.991 1.00 0.00 C ATOM 0 H THR A 6 -3.809 -22.163 1.370 1.00 0.00 H new ATOM 0 HA THR A 6 -2.262 -19.672 1.108 1.00 0.00 H new ATOM 0 HB THR A 6 -1.554 -22.108 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.470 -21.535 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.315 -23.093 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.690 -22.806 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.384 -21.695 -1.745 1.00 0.00 H new ATOM 87 N CYS A 7 -4.755 -20.288 -0.933 1.00 0.00 N ATOM 88 CA CYS A 7 -5.627 -19.620 -1.940 1.00 0.00 C ATOM 89 C CYS A 7 -6.548 -18.622 -1.246 1.00 0.00 C ATOM 90 O CYS A 7 -6.544 -17.445 -1.544 1.00 0.00 O ATOM 91 CB CYS A 7 -6.430 -20.754 -2.574 1.00 0.00 C ATOM 92 SG CYS A 7 -7.789 -20.065 -3.553 1.00 0.00 S ATOM 0 H CYS A 7 -5.033 -21.236 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.060 -19.062 -2.685 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.783 -21.361 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.824 -21.411 -1.799 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.469 -21.033 -4.093 1.00 0.00 H new ATOM 97 N ALA A 8 -7.330 -19.082 -0.315 1.00 0.00 N ATOM 98 CA ALA A 8 -8.241 -18.154 0.407 1.00 0.00 C ATOM 99 C ALA A 8 -7.450 -16.942 0.895 1.00 0.00 C ATOM 100 O ALA A 8 -7.861 -15.812 0.732 1.00 0.00 O ATOM 101 CB ALA A 8 -8.779 -18.961 1.587 1.00 0.00 C ATOM 0 H ALA A 8 -7.379 -20.058 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.049 -17.782 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.461 -18.342 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.311 -19.837 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.949 -19.280 2.218 1.00 0.00 H new ATOM 107 N THR A 9 -6.308 -17.169 1.483 1.00 0.00 N ATOM 108 CA THR A 9 -5.485 -16.027 1.968 1.00 0.00 C ATOM 109 C THR A 9 -5.020 -15.184 0.783 1.00 0.00 C ATOM 110 O THR A 9 -5.056 -13.969 0.819 1.00 0.00 O ATOM 111 CB THR A 9 -4.281 -16.662 2.659 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.700 -17.298 3.859 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.248 -15.582 2.983 1.00 0.00 C ATOM 0 H THR A 9 -5.910 -18.094 1.648 1.00 0.00 H new ATOM 0 HA THR A 9 -6.044 -15.375 2.639 1.00 0.00 H new ATOM 0 HB THR A 9 -3.833 -17.403 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.393 -18.229 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.389 -16.037 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.924 -15.100 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.694 -14.838 3.643 1.00 0.00 H new ATOM 121 N GLN A 10 -4.569 -15.820 -0.265 1.00 0.00 N ATOM 122 CA GLN A 10 -4.087 -15.057 -1.446 1.00 0.00 C ATOM 123 C GLN A 10 -5.259 -14.545 -2.288 1.00 0.00 C ATOM 124 O GLN A 10 -5.091 -13.714 -3.159 1.00 0.00 O ATOM 125 CB GLN A 10 -3.250 -16.055 -2.246 1.00 0.00 C ATOM 126 CG GLN A 10 -2.201 -15.300 -3.064 1.00 0.00 C ATOM 127 CD GLN A 10 -0.844 -15.418 -2.371 1.00 0.00 C ATOM 128 OE1 GLN A 10 0.182 -15.486 -3.020 1.00 0.00 O ATOM 129 NE2 GLN A 10 -0.795 -15.449 -1.068 1.00 0.00 N ATOM 0 H GLN A 10 -4.515 -16.835 -0.352 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.514 -14.178 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.763 -16.760 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.892 -16.637 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.145 -15.710 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.483 -14.252 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.656 -15.392 -0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.104 -15.530 -0.593 1.00 0.00 H new ATOM 138 N ARG A 11 -6.449 -15.000 -2.020 1.00 0.00 N ATOM 139 CA ARG A 11 -7.613 -14.507 -2.803 1.00 0.00 C ATOM 140 C ARG A 11 -8.168 -13.319 -2.060 1.00 0.00 C ATOM 141 O ARG A 11 -8.325 -12.233 -2.585 1.00 0.00 O ATOM 142 CB ARG A 11 -8.608 -15.666 -2.815 1.00 0.00 C ATOM 143 CG ARG A 11 -9.676 -15.412 -3.879 1.00 0.00 C ATOM 144 CD ARG A 11 -10.946 -14.885 -3.209 1.00 0.00 C ATOM 145 NE ARG A 11 -11.569 -16.079 -2.578 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.798 -16.403 -2.870 1.00 0.00 C ATOM 147 NH1 ARG A 11 -13.791 -15.743 -2.340 1.00 0.00 N ATOM 148 NH2 ARG A 11 -13.033 -17.387 -3.695 1.00 0.00 N ATOM 0 H ARG A 11 -6.665 -15.687 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.374 -14.203 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.089 -16.602 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.074 -15.769 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.312 -14.691 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.892 -16.333 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.713 -14.122 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.616 -14.428 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.035 -16.644 -1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.606 -14.973 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.752 -15.997 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.256 -17.901 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.994 -17.642 -3.924 1.00 0.00 H new ATOM 162 N LEU A 12 -8.411 -13.526 -0.810 1.00 0.00 N ATOM 163 CA LEU A 12 -8.898 -12.439 0.050 1.00 0.00 C ATOM 164 C LEU A 12 -7.886 -11.302 0.027 1.00 0.00 C ATOM 165 O LEU A 12 -8.230 -10.147 -0.124 1.00 0.00 O ATOM 166 CB LEU A 12 -8.962 -13.094 1.420 1.00 0.00 C ATOM 167 CG LEU A 12 -10.363 -13.657 1.661 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.324 -14.642 2.832 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.321 -12.511 1.989 1.00 0.00 C ATOM 0 H LEU A 12 -8.289 -14.423 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.855 -12.014 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.223 -13.893 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.715 -12.366 2.193 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.707 -14.174 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.323 -15.043 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.640 -15.458 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.981 -14.127 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.321 -12.910 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.977 -11.995 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.349 -11.810 1.155 1.00 0.00 H new ATOM 181 N ALA A 13 -6.632 -11.629 0.152 1.00 0.00 N ATOM 182 CA ALA A 13 -5.588 -10.574 0.110 1.00 0.00 C ATOM 183 C ALA A 13 -5.593 -9.938 -1.275 1.00 0.00 C ATOM 184 O ALA A 13 -5.252 -8.784 -1.445 1.00 0.00 O ATOM 185 CB ALA A 13 -4.269 -11.299 0.374 1.00 0.00 C ATOM 0 H ALA A 13 -6.286 -12.580 0.281 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.750 -9.781 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.449 -10.581 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.309 -11.783 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.107 -12.052 -0.397 1.00 0.00 H new ATOM 191 N ASN A 14 -6.004 -10.682 -2.262 1.00 0.00 N ATOM 192 CA ASN A 14 -6.064 -10.126 -3.635 1.00 0.00 C ATOM 193 C ASN A 14 -6.877 -8.838 -3.609 1.00 0.00 C ATOM 194 O ASN A 14 -6.484 -7.828 -4.154 1.00 0.00 O ATOM 195 CB ASN A 14 -6.782 -11.191 -4.464 1.00 0.00 C ATOM 196 CG ASN A 14 -6.490 -10.972 -5.949 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.488 -9.853 -6.422 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.243 -12.002 -6.712 1.00 0.00 N ATOM 0 H ASN A 14 -6.301 -11.654 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.081 -9.895 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.452 -12.185 -4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.856 -11.143 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.049 -11.867 -7.704 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.244 -12.942 -6.316 1.00 0.00 H new ATOM 205 N PHE A 15 -8.013 -8.869 -2.965 1.00 0.00 N ATOM 206 CA PHE A 15 -8.862 -7.646 -2.892 1.00 0.00 C ATOM 207 C PHE A 15 -8.482 -6.849 -1.648 1.00 0.00 C ATOM 208 O PHE A 15 -8.754 -5.669 -1.545 1.00 0.00 O ATOM 209 CB PHE A 15 -10.309 -8.144 -2.773 1.00 0.00 C ATOM 210 CG PHE A 15 -10.450 -9.492 -3.441 1.00 0.00 C ATOM 211 CD1 PHE A 15 -9.933 -9.694 -4.724 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.077 -10.542 -2.763 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.046 -10.949 -5.331 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.188 -11.797 -3.368 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.673 -12.001 -4.654 1.00 0.00 C ATOM 0 H PHE A 15 -8.389 -9.688 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.734 -7.004 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.591 -8.218 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.988 -7.427 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.447 -8.883 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.475 -10.383 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.649 -11.106 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.671 -12.609 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.760 -12.970 -5.123 1.00 0.00 H new ATOM 225 N LEU A 16 -7.854 -7.489 -0.697 1.00 0.00 N ATOM 226 CA LEU A 16 -7.460 -6.760 0.543 1.00 0.00 C ATOM 227 C LEU A 16 -6.328 -5.788 0.228 1.00 0.00 C ATOM 228 O LEU A 16 -6.300 -4.674 0.705 1.00 0.00 O ATOM 229 CB LEU A 16 -6.990 -7.839 1.519 1.00 0.00 C ATOM 230 CG LEU A 16 -7.396 -7.447 2.941 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.989 -5.995 3.208 1.00 0.00 C ATOM 232 CD2 LEU A 16 -8.912 -7.580 3.090 1.00 0.00 C ATOM 0 H LEU A 16 -7.599 -8.476 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.281 -6.178 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.430 -8.801 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.908 -7.956 1.457 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.897 -8.103 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.279 -5.716 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.909 -5.894 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.489 -5.340 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.204 -7.301 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.407 -6.922 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.207 -8.612 2.898 1.00 0.00 H new ATOM 244 N VAL A 17 -5.397 -6.200 -0.583 1.00 0.00 N ATOM 245 CA VAL A 17 -4.272 -5.296 -0.942 1.00 0.00 C ATOM 246 C VAL A 17 -4.689 -4.394 -2.103 1.00 0.00 C ATOM 247 O VAL A 17 -4.221 -3.282 -2.241 1.00 0.00 O ATOM 248 CB VAL A 17 -3.141 -6.231 -1.367 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.068 -5.427 -2.103 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.528 -6.889 -0.129 1.00 0.00 C ATOM 0 H VAL A 17 -5.366 -7.124 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.974 -4.646 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.536 -7.003 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.260 -6.092 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.505 -4.959 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.674 -4.656 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.721 -7.556 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.132 -6.119 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.293 -7.461 0.396 1.00 0.00 H new ATOM 260 N HIS A 18 -5.568 -4.872 -2.941 1.00 0.00 N ATOM 261 CA HIS A 18 -6.022 -4.058 -4.105 1.00 0.00 C ATOM 262 C HIS A 18 -7.178 -3.137 -3.710 1.00 0.00 C ATOM 263 O HIS A 18 -7.192 -1.966 -4.037 1.00 0.00 O ATOM 264 CB HIS A 18 -6.503 -5.084 -5.129 1.00 0.00 C ATOM 265 CG HIS A 18 -5.324 -5.643 -5.877 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.420 -6.066 -7.208 1.00 0.00 N ATOM 267 CD2 HIS A 18 -4.016 -5.861 -5.504 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.201 -6.510 -7.583 1.00 0.00 C ATOM 269 NE2 HIS A 18 -3.343 -6.400 -6.582 1.00 0.00 N ATOM 0 H HIS A 18 -5.994 -5.796 -2.869 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.226 -3.419 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.042 -5.888 -4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.200 -4.618 -5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.590 -5.647 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.961 -6.900 -8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.359 -6.666 -6.603 1.00 0.00 H new ATOM 277 N SER A 19 -8.163 -3.663 -3.033 1.00 0.00 N ATOM 278 CA SER A 19 -9.334 -2.819 -2.648 1.00 0.00 C ATOM 279 C SER A 19 -9.018 -1.928 -1.439 1.00 0.00 C ATOM 280 O SER A 19 -9.656 -0.918 -1.223 1.00 0.00 O ATOM 281 CB SER A 19 -10.439 -3.814 -2.302 1.00 0.00 C ATOM 282 OG SER A 19 -11.696 -3.266 -2.675 1.00 0.00 O ATOM 0 H SER A 19 -8.209 -4.636 -2.730 1.00 0.00 H new ATOM 0 HA SER A 19 -9.617 -2.142 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.271 -4.757 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.427 -4.032 -1.234 1.00 0.00 H new ATOM 0 HG SER A 19 -12.408 -3.903 -2.456 1.00 0.00 H new ATOM 288 N SER A 20 -8.057 -2.288 -0.639 1.00 0.00 N ATOM 289 CA SER A 20 -7.745 -1.441 0.548 1.00 0.00 C ATOM 290 C SER A 20 -6.680 -0.393 0.222 1.00 0.00 C ATOM 291 O SER A 20 -6.754 0.734 0.667 1.00 0.00 O ATOM 292 CB SER A 20 -7.231 -2.402 1.616 1.00 0.00 C ATOM 293 OG SER A 20 -5.824 -2.542 1.479 1.00 0.00 O ATOM 0 H SER A 20 -7.479 -3.121 -0.751 1.00 0.00 H new ATOM 0 HA SER A 20 -8.627 -0.892 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.476 -2.026 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.717 -3.372 1.514 1.00 0.00 H new ATOM 0 HG SER A 20 -5.602 -3.485 1.334 1.00 0.00 H new