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 -32:sc= 0.781 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 -72:sc= 0.685 USER MOD Single : A 10 GLN : amide:sc= -0.766 K(o=-0.77,f=-0.042) USER MOD Single : A 14 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.75) USER MOD Single : A 18 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.031) 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 -8.678 -23.777 0.482 1.00 0.00 N ATOM 50 CA THR A 4 -7.322 -23.950 1.051 1.00 0.00 C ATOM 51 C THR A 4 -6.842 -22.618 1.604 1.00 0.00 C ATOM 52 O THR A 4 -6.615 -21.677 0.874 1.00 0.00 O ATOM 53 CB THR A 4 -6.456 -24.406 -0.124 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.881 -23.744 -1.307 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.595 -25.920 -0.305 1.00 0.00 C ATOM 0 HA THR A 4 -7.287 -24.670 1.868 1.00 0.00 H new ATOM 0 HB THR A 4 -5.413 -24.161 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.847 -23.584 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.978 -26.245 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.269 -26.426 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.637 -26.168 -0.505 1.00 0.00 H new ATOM 63 N ALA A 5 -6.700 -22.535 2.894 1.00 0.00 N ATOM 64 CA ALA A 5 -6.240 -21.267 3.528 1.00 0.00 C ATOM 65 C ALA A 5 -5.163 -20.593 2.671 1.00 0.00 C ATOM 66 O ALA A 5 -4.988 -19.394 2.718 1.00 0.00 O ATOM 67 CB ALA A 5 -5.662 -21.689 4.879 1.00 0.00 C ATOM 0 H ALA A 5 -6.884 -23.298 3.545 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.051 -20.546 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.300 -20.809 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.437 -22.177 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.836 -22.383 4.721 1.00 0.00 H new ATOM 73 N THR A 6 -4.448 -21.344 1.877 1.00 0.00 N ATOM 74 CA THR A 6 -3.403 -20.712 1.021 1.00 0.00 C ATOM 75 C THR A 6 -4.080 -19.935 -0.109 1.00 0.00 C ATOM 76 O THR A 6 -3.617 -18.894 -0.523 1.00 0.00 O ATOM 77 CB THR A 6 -2.551 -21.859 0.468 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.718 -21.365 -0.572 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.452 -22.964 -0.082 1.00 0.00 C ATOM 0 H THR A 6 -4.540 -22.356 1.784 1.00 0.00 H new ATOM 0 HA THR A 6 -2.782 -20.010 1.577 1.00 0.00 H new ATOM 0 HB THR A 6 -1.937 -22.269 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.170 -22.096 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.837 -23.774 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.089 -23.345 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.073 -22.562 -0.882 1.00 0.00 H new ATOM 87 N CYS A 7 -5.193 -20.420 -0.589 1.00 0.00 N ATOM 88 CA CYS A 7 -5.920 -19.695 -1.667 1.00 0.00 C ATOM 89 C CYS A 7 -6.902 -18.721 -1.028 1.00 0.00 C ATOM 90 O CYS A 7 -7.089 -17.611 -1.488 1.00 0.00 O ATOM 91 CB CYS A 7 -6.663 -20.771 -2.459 1.00 0.00 C ATOM 92 SG CYS A 7 -7.387 -20.021 -3.945 1.00 0.00 S ATOM 0 H CYS A 7 -5.630 -21.288 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.255 -19.124 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.979 -21.573 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.444 -21.218 -1.844 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.019 -20.930 -4.626 1.00 0.00 H new ATOM 97 N ALA A 8 -7.517 -19.124 0.050 1.00 0.00 N ATOM 98 CA ALA A 8 -8.471 -18.219 0.742 1.00 0.00 C ATOM 99 C ALA A 8 -7.726 -16.963 1.185 1.00 0.00 C ATOM 100 O ALA A 8 -8.079 -15.862 0.818 1.00 0.00 O ATOM 101 CB ALA A 8 -8.971 -19.008 1.952 1.00 0.00 C ATOM 0 H ALA A 8 -7.399 -20.041 0.480 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.300 -17.907 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.682 -18.402 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.461 -19.921 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.127 -19.265 2.593 1.00 0.00 H new ATOM 107 N THR A 9 -6.680 -17.120 1.952 1.00 0.00 N ATOM 108 CA THR A 9 -5.907 -15.925 2.385 1.00 0.00 C ATOM 109 C THR A 9 -5.371 -15.205 1.147 1.00 0.00 C ATOM 110 O THR A 9 -5.340 -13.991 1.089 1.00 0.00 O ATOM 111 CB THR A 9 -4.756 -16.462 3.238 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.951 -17.331 2.454 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.314 -17.223 4.442 1.00 0.00 C ATOM 0 H THR A 9 -6.332 -18.016 2.294 1.00 0.00 H new ATOM 0 HA THR A 9 -6.513 -15.215 2.949 1.00 0.00 H new ATOM 0 HB THR A 9 -4.151 -15.628 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.436 -18.166 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.490 -17.603 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.926 -16.552 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.924 -18.057 4.095 1.00 0.00 H new ATOM 121 N GLN A 10 -4.950 -15.943 0.151 1.00 0.00 N ATOM 122 CA GLN A 10 -4.425 -15.288 -1.075 1.00 0.00 C ATOM 123 C GLN A 10 -5.575 -14.685 -1.886 1.00 0.00 C ATOM 124 O GLN A 10 -5.386 -13.786 -2.684 1.00 0.00 O ATOM 125 CB GLN A 10 -3.732 -16.397 -1.864 1.00 0.00 C ATOM 126 CG GLN A 10 -2.833 -15.776 -2.934 1.00 0.00 C ATOM 127 CD GLN A 10 -1.397 -15.713 -2.416 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.458 -15.783 -3.184 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.183 -15.586 -1.135 1.00 0.00 N ATOM 0 H GLN A 10 -4.949 -16.963 0.137 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.739 -14.473 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.140 -17.020 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.474 -17.046 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.876 -16.367 -3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.185 -14.775 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.971 -15.527 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.228 -15.546 -0.779 1.00 0.00 H new ATOM 138 N ARG A 11 -6.777 -15.138 -1.658 1.00 0.00 N ATOM 139 CA ARG A 11 -7.933 -14.560 -2.391 1.00 0.00 C ATOM 140 C ARG A 11 -8.443 -13.423 -1.541 1.00 0.00 C ATOM 141 O ARG A 11 -8.718 -12.333 -2.002 1.00 0.00 O ATOM 142 CB ARG A 11 -8.963 -15.685 -2.493 1.00 0.00 C ATOM 143 CG ARG A 11 -10.119 -15.237 -3.388 1.00 0.00 C ATOM 144 CD ARG A 11 -9.891 -15.752 -4.811 1.00 0.00 C ATOM 145 NE ARG A 11 -9.255 -14.614 -5.532 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.124 -14.657 -6.830 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.963 -15.803 -7.433 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.156 -13.552 -7.526 1.00 0.00 N ATOM 0 H ARG A 11 -7.006 -15.881 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.698 -14.186 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.498 -16.582 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.335 -15.943 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.063 -15.618 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.191 -14.149 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.247 -16.632 -4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.830 -16.043 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.922 -13.802 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.939 -16.666 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.861 -15.836 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.283 -12.656 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.054 -13.585 -8.540 1.00 0.00 H new ATOM 162 N LEU A 12 -8.509 -13.679 -0.275 1.00 0.00 N ATOM 163 CA LEU A 12 -8.929 -12.642 0.681 1.00 0.00 C ATOM 164 C LEU A 12 -7.946 -11.479 0.596 1.00 0.00 C ATOM 165 O LEU A 12 -8.325 -10.324 0.596 1.00 0.00 O ATOM 166 CB LEU A 12 -8.840 -13.346 2.027 1.00 0.00 C ATOM 167 CG LEU A 12 -10.196 -13.958 2.381 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.988 -15.349 2.982 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.905 -13.062 3.401 1.00 0.00 C ATOM 0 H LEU A 12 -8.285 -14.582 0.143 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.924 -12.235 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.078 -14.124 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.537 -12.638 2.799 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.805 -14.040 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.955 -15.785 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.481 -15.986 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.380 -15.269 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.872 -13.495 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.295 -12.982 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.053 -12.070 2.973 1.00 0.00 H new ATOM 181 N ALA A 13 -6.683 -11.784 0.489 1.00 0.00 N ATOM 182 CA ALA A 13 -5.668 -10.706 0.364 1.00 0.00 C ATOM 183 C ALA A 13 -5.880 -9.997 -0.972 1.00 0.00 C ATOM 184 O ALA A 13 -5.595 -8.827 -1.127 1.00 0.00 O ATOM 185 CB ALA A 13 -4.317 -11.421 0.391 1.00 0.00 C ATOM 0 H ALA A 13 -6.311 -12.734 0.483 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.731 -9.959 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.515 -10.688 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.211 -11.963 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.260 -12.123 -0.441 1.00 0.00 H new ATOM 191 N ASN A 14 -6.401 -10.710 -1.936 1.00 0.00 N ATOM 192 CA ASN A 14 -6.663 -10.102 -3.267 1.00 0.00 C ATOM 193 C ASN A 14 -7.561 -8.884 -3.089 1.00 0.00 C ATOM 194 O ASN A 14 -7.287 -7.817 -3.602 1.00 0.00 O ATOM 195 CB ASN A 14 -7.383 -11.186 -4.069 1.00 0.00 C ATOM 196 CG ASN A 14 -7.096 -10.996 -5.560 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.007 -10.937 -6.363 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.860 -10.899 -5.967 1.00 0.00 N ATOM 0 H ASN A 14 -6.657 -11.694 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.753 -9.774 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.050 -12.173 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.456 -11.136 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.658 -10.774 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.096 -10.948 -5.293 1.00 0.00 H new ATOM 205 N PHE A 15 -8.622 -9.028 -2.342 1.00 0.00 N ATOM 206 CA PHE A 15 -9.514 -7.864 -2.113 1.00 0.00 C ATOM 207 C PHE A 15 -8.758 -6.855 -1.259 1.00 0.00 C ATOM 208 O PHE A 15 -9.063 -5.683 -1.240 1.00 0.00 O ATOM 209 CB PHE A 15 -10.735 -8.395 -1.350 1.00 0.00 C ATOM 210 CG PHE A 15 -11.118 -9.766 -1.857 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.531 -9.942 -3.184 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.059 -10.864 -0.993 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.884 -11.217 -3.644 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.412 -12.138 -1.452 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.825 -12.315 -2.777 1.00 0.00 C ATOM 0 H PHE A 15 -8.905 -9.895 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.824 -7.384 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.513 -8.444 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.573 -7.709 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.577 -9.095 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.741 -10.729 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.202 -11.353 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.366 -12.985 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.098 -13.298 -3.131 1.00 0.00 H new ATOM 225 N LEU A 16 -7.754 -7.308 -0.554 1.00 0.00 N ATOM 226 CA LEU A 16 -6.968 -6.369 0.296 1.00 0.00 C ATOM 227 C LEU A 16 -6.255 -5.345 -0.589 1.00 0.00 C ATOM 228 O LEU A 16 -6.398 -4.151 -0.412 1.00 0.00 O ATOM 229 CB LEU A 16 -5.955 -7.247 1.029 1.00 0.00 C ATOM 230 CG LEU A 16 -6.053 -7.002 2.536 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.522 -5.605 2.861 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.515 -7.110 2.979 1.00 0.00 C ATOM 0 H LEU A 16 -7.447 -8.280 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.595 -5.812 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.144 -8.298 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.947 -7.024 0.680 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.459 -7.748 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.592 -5.430 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.481 -5.530 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.115 -4.858 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.584 -6.935 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.111 -6.365 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.892 -8.106 2.749 1.00 0.00 H new ATOM 244 N VAL A 17 -5.497 -5.802 -1.548 1.00 0.00 N ATOM 245 CA VAL A 17 -4.784 -4.853 -2.450 1.00 0.00 C ATOM 246 C VAL A 17 -5.779 -4.191 -3.406 1.00 0.00 C ATOM 247 O VAL A 17 -5.627 -3.047 -3.784 1.00 0.00 O ATOM 248 CB VAL A 17 -3.787 -5.714 -3.226 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.835 -4.810 -4.013 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.982 -6.571 -2.245 1.00 0.00 C ATOM 0 H VAL A 17 -5.341 -6.790 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.287 -4.053 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.327 -6.361 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.124 -5.424 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.407 -4.199 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.295 -4.162 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.271 -7.185 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.442 -5.923 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.659 -7.215 -1.684 1.00 0.00 H new ATOM 260 N HIS A 18 -6.802 -4.902 -3.799 1.00 0.00 N ATOM 261 CA HIS A 18 -7.804 -4.311 -4.730 1.00 0.00 C ATOM 262 C HIS A 18 -8.774 -3.409 -3.963 1.00 0.00 C ATOM 263 O HIS A 18 -8.898 -2.235 -4.249 1.00 0.00 O ATOM 264 CB HIS A 18 -8.540 -5.505 -5.336 1.00 0.00 C ATOM 265 CG HIS A 18 -7.724 -6.076 -6.462 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.515 -5.380 -7.661 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.055 -7.272 -6.599 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.751 -6.159 -8.456 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.461 -7.297 -7.845 1.00 0.00 N ATOM 0 H HIS A 18 -6.986 -5.864 -3.516 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.338 -3.692 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.711 -6.266 -4.574 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.519 -5.195 -5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.004 -8.056 -5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.423 -5.892 -9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.899 -8.057 -8.227 1.00 0.00 H new ATOM 277 N SER A 19 -9.466 -3.942 -2.989 1.00 0.00 N ATOM 278 CA SER A 19 -10.423 -3.090 -2.220 1.00 0.00 C ATOM 279 C SER A 19 -9.711 -1.840 -1.698 1.00 0.00 C ATOM 280 O SER A 19 -10.329 -0.831 -1.421 1.00 0.00 O ATOM 281 CB SER A 19 -10.901 -3.957 -1.056 1.00 0.00 C ATOM 282 OG SER A 19 -12.089 -3.397 -0.510 1.00 0.00 O ATOM 0 H SER A 19 -9.412 -4.917 -2.695 1.00 0.00 H new ATOM 0 HA SER A 19 -11.256 -2.753 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.089 -4.975 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.128 -4.016 -0.290 1.00 0.00 H new ATOM 0 HG SER A 19 -12.399 -3.952 0.236 1.00 0.00 H new ATOM 288 N SER A 20 -8.412 -1.898 -1.565 1.00 0.00 N ATOM 289 CA SER A 20 -7.661 -0.711 -1.063 1.00 0.00 C ATOM 290 C SER A 20 -7.418 0.277 -2.206 1.00 0.00 C ATOM 291 O SER A 20 -7.373 1.473 -2.004 1.00 0.00 O ATOM 292 CB SER A 20 -6.338 -1.269 -0.539 1.00 0.00 C ATOM 293 OG SER A 20 -5.500 -0.192 -0.142 1.00 0.00 O ATOM 0 H SER A 20 -7.840 -2.714 -1.782 1.00 0.00 H new ATOM 0 HA SER A 20 -8.206 -0.172 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.519 -1.934 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.848 -1.861 -1.312 1.00 0.00 H new ATOM 0 HG SER A 20 -4.651 -0.546 0.196 1.00 0.00 H new