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 17:sc= -0.618 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= -0.739! USER MOD Single : A 10 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.56) USER MOD Single : A 14 ASN : amide:sc= -0.0197 X(o=-0.02,f=0.017) USER MOD Single : A 18 HIS : no HD1:sc= -3.42! K(o=-3.4!,f=-1.7) 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 -8.935 -22.840 2.049 1.00 0.00 N ATOM 50 CA THR A 4 -7.503 -22.996 2.393 1.00 0.00 C ATOM 51 C THR A 4 -6.837 -21.631 2.441 1.00 0.00 C ATOM 52 O THR A 4 -6.616 -21.008 1.426 1.00 0.00 O ATOM 53 CB THR A 4 -6.915 -23.844 1.264 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.057 -23.153 0.031 1.00 0.00 O ATOM 55 CG2 THR A 4 -7.656 -25.178 1.188 1.00 0.00 C ATOM 0 HA THR A 4 -7.353 -23.462 3.367 1.00 0.00 H new ATOM 0 HB THR A 4 -5.858 -24.027 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.244 -22.207 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.237 -25.782 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.548 -25.709 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.713 -24.997 0.992 1.00 0.00 H new ATOM 63 N ALA A 5 -6.524 -21.169 3.621 1.00 0.00 N ATOM 64 CA ALA A 5 -5.860 -19.841 3.767 1.00 0.00 C ATOM 65 C ALA A 5 -4.897 -19.611 2.601 1.00 0.00 C ATOM 66 O ALA A 5 -4.695 -18.501 2.160 1.00 0.00 O ATOM 67 CB ALA A 5 -5.094 -19.925 5.087 1.00 0.00 C ATOM 0 H ALA A 5 -6.701 -21.659 4.498 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.572 -19.016 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.576 -18.983 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.793 -20.117 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.366 -20.735 5.035 1.00 0.00 H new ATOM 73 N THR A 6 -4.323 -20.661 2.079 1.00 0.00 N ATOM 74 CA THR A 6 -3.400 -20.491 0.923 1.00 0.00 C ATOM 75 C THR A 6 -4.163 -19.795 -0.205 1.00 0.00 C ATOM 76 O THR A 6 -3.696 -18.841 -0.797 1.00 0.00 O ATOM 77 CB THR A 6 -2.982 -21.910 0.522 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.130 -21.848 -0.613 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.220 -22.740 0.187 1.00 0.00 C ATOM 0 H THR A 6 -4.452 -21.621 2.400 1.00 0.00 H new ATOM 0 HA THR A 6 -2.524 -19.885 1.154 1.00 0.00 H new ATOM 0 HB THR A 6 -2.452 -22.377 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.861 -22.755 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.917 -23.748 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.872 -22.790 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.756 -22.276 -0.640 1.00 0.00 H new ATOM 87 N CYS A 7 -5.358 -20.246 -0.475 1.00 0.00 N ATOM 88 CA CYS A 7 -6.185 -19.600 -1.527 1.00 0.00 C ATOM 89 C CYS A 7 -6.999 -18.484 -0.890 1.00 0.00 C ATOM 90 O CYS A 7 -7.083 -17.385 -1.400 1.00 0.00 O ATOM 91 CB CYS A 7 -7.110 -20.698 -2.048 1.00 0.00 C ATOM 92 SG CYS A 7 -8.275 -19.974 -3.236 1.00 0.00 S ATOM 0 H CYS A 7 -5.797 -21.039 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.587 -19.170 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.527 -21.486 -2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.652 -21.157 -1.221 1.00 0.00 H new ATOM 0 HG CYS A 7 -9.066 -20.901 -3.688 1.00 0.00 H new ATOM 97 N ALA A 8 -7.589 -18.760 0.238 1.00 0.00 N ATOM 98 CA ALA A 8 -8.387 -17.719 0.933 1.00 0.00 C ATOM 99 C ALA A 8 -7.509 -16.491 1.151 1.00 0.00 C ATOM 100 O ALA A 8 -7.849 -15.401 0.747 1.00 0.00 O ATOM 101 CB ALA A 8 -8.790 -18.343 2.267 1.00 0.00 C ATOM 0 H ALA A 8 -7.552 -19.664 0.708 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.264 -17.404 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.384 -17.629 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.379 -19.242 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.895 -18.603 2.832 1.00 0.00 H new ATOM 107 N THR A 9 -6.370 -16.658 1.766 1.00 0.00 N ATOM 108 CA THR A 9 -5.472 -15.490 1.977 1.00 0.00 C ATOM 109 C THR A 9 -5.135 -14.869 0.621 1.00 0.00 C ATOM 110 O THR A 9 -5.127 -13.664 0.467 1.00 0.00 O ATOM 111 CB THR A 9 -4.214 -16.050 2.645 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.585 -16.814 3.785 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.307 -14.895 3.076 1.00 0.00 C ATOM 0 H THR A 9 -6.025 -17.547 2.129 1.00 0.00 H new ATOM 0 HA THR A 9 -5.929 -14.715 2.593 1.00 0.00 H new ATOM 0 HB THR A 9 -3.679 -16.686 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.177 -17.703 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.411 -15.294 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.023 -14.309 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.840 -14.258 3.782 1.00 0.00 H new ATOM 121 N GLN A 10 -4.863 -15.681 -0.370 1.00 0.00 N ATOM 122 CA GLN A 10 -4.541 -15.122 -1.708 1.00 0.00 C ATOM 123 C GLN A 10 -5.804 -14.544 -2.351 1.00 0.00 C ATOM 124 O GLN A 10 -5.742 -13.728 -3.252 1.00 0.00 O ATOM 125 CB GLN A 10 -4.019 -16.305 -2.523 1.00 0.00 C ATOM 126 CG GLN A 10 -2.646 -16.725 -1.993 1.00 0.00 C ATOM 127 CD GLN A 10 -1.644 -15.591 -2.219 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.954 -15.565 -3.218 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.533 -14.646 -1.325 1.00 0.00 N ATOM 0 H GLN A 10 -4.851 -16.699 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.810 -14.315 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.716 -17.140 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.946 -16.031 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.711 -16.961 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.309 -17.629 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.112 -14.667 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.867 -13.886 -1.466 1.00 0.00 H new ATOM 138 N ARG A 11 -6.951 -14.930 -1.866 1.00 0.00 N ATOM 139 CA ARG A 11 -8.216 -14.386 -2.426 1.00 0.00 C ATOM 140 C ARG A 11 -8.546 -13.153 -1.620 1.00 0.00 C ATOM 141 O ARG A 11 -8.762 -12.075 -2.136 1.00 0.00 O ATOM 142 CB ARG A 11 -9.252 -15.491 -2.212 1.00 0.00 C ATOM 143 CG ARG A 11 -9.289 -16.402 -3.441 1.00 0.00 C ATOM 144 CD ARG A 11 -10.070 -15.714 -4.564 1.00 0.00 C ATOM 145 NE ARG A 11 -9.049 -15.383 -5.596 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.325 -15.551 -6.860 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.867 -16.666 -7.267 1.00 0.00 N ATOM 148 NH2 ARG A 11 -9.061 -14.605 -7.718 1.00 0.00 N ATOM 0 H ARG A 11 -7.066 -15.600 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.171 -14.113 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.002 -16.071 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.236 -15.054 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.275 -16.624 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.757 -17.353 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.841 -16.370 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.572 -14.816 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.136 -15.026 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.075 -17.406 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.083 -16.797 -8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.638 -13.733 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.277 -14.738 -8.706 1.00 0.00 H new ATOM 162 N LEU A 12 -8.513 -13.317 -0.340 1.00 0.00 N ATOM 163 CA LEU A 12 -8.744 -12.188 0.575 1.00 0.00 C ATOM 164 C LEU A 12 -7.736 -11.090 0.257 1.00 0.00 C ATOM 165 O LEU A 12 -8.073 -9.931 0.134 1.00 0.00 O ATOM 166 CB LEU A 12 -8.477 -12.798 1.944 1.00 0.00 C ATOM 167 CG LEU A 12 -9.783 -13.312 2.546 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.618 -14.777 2.957 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.138 -12.476 3.778 1.00 0.00 C ATOM 0 H LEU A 12 -8.331 -14.209 0.120 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.736 -11.741 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.761 -13.615 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.031 -12.053 2.603 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.579 -13.231 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.551 -15.142 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.364 -15.374 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.822 -14.860 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.070 -12.841 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.340 -12.558 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.257 -11.432 3.487 1.00 0.00 H new ATOM 181 N ALA A 13 -6.496 -11.465 0.105 1.00 0.00 N ATOM 182 CA ALA A 13 -5.447 -10.466 -0.226 1.00 0.00 C ATOM 183 C ALA A 13 -5.789 -9.798 -1.556 1.00 0.00 C ATOM 184 O ALA A 13 -5.504 -8.637 -1.775 1.00 0.00 O ATOM 185 CB ALA A 13 -4.154 -11.271 -0.341 1.00 0.00 C ATOM 0 H ALA A 13 -6.165 -12.425 0.197 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.361 -9.678 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.329 -10.602 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.950 -11.769 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.259 -12.018 -1.128 1.00 0.00 H new ATOM 191 N ASN A 14 -6.413 -10.526 -2.439 1.00 0.00 N ATOM 192 CA ASN A 14 -6.794 -9.940 -3.751 1.00 0.00 C ATOM 193 C ASN A 14 -7.684 -8.722 -3.520 1.00 0.00 C ATOM 194 O ASN A 14 -7.506 -7.685 -4.123 1.00 0.00 O ATOM 195 CB ASN A 14 -7.575 -11.043 -4.467 1.00 0.00 C ATOM 196 CG ASN A 14 -7.529 -10.806 -5.977 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.545 -10.562 -6.598 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.384 -10.868 -6.599 1.00 0.00 N ATOM 0 H ASN A 14 -6.675 -11.503 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.932 -9.614 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.149 -12.018 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.609 -11.054 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.342 -10.712 -7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.531 -11.073 -6.078 1.00 0.00 H new ATOM 205 N PHE A 15 -8.633 -8.842 -2.634 1.00 0.00 N ATOM 206 CA PHE A 15 -9.534 -7.693 -2.346 1.00 0.00 C ATOM 207 C PHE A 15 -8.896 -6.838 -1.260 1.00 0.00 C ATOM 208 O PHE A 15 -9.184 -5.667 -1.127 1.00 0.00 O ATOM 209 CB PHE A 15 -10.850 -8.296 -1.827 1.00 0.00 C ATOM 210 CG PHE A 15 -11.061 -9.674 -2.405 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.152 -9.851 -3.789 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.150 -10.777 -1.549 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.336 -11.133 -4.318 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.331 -12.059 -2.076 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.425 -12.237 -3.461 1.00 0.00 C ATOM 0 H PHE A 15 -8.823 -9.688 -2.096 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.707 -7.074 -3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.828 -8.351 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.685 -7.650 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.080 -8.999 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.079 -10.638 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.409 -11.271 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.398 -12.911 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.566 -13.227 -3.869 1.00 0.00 H new ATOM 225 N LEU A 16 -8.022 -7.415 -0.482 1.00 0.00 N ATOM 226 CA LEU A 16 -7.366 -6.619 0.591 1.00 0.00 C ATOM 227 C LEU A 16 -6.357 -5.661 -0.040 1.00 0.00 C ATOM 228 O LEU A 16 -6.399 -4.470 0.180 1.00 0.00 O ATOM 229 CB LEU A 16 -6.673 -7.641 1.489 1.00 0.00 C ATOM 230 CG LEU A 16 -7.390 -7.696 2.838 1.00 0.00 C ATOM 231 CD1 LEU A 16 -8.111 -9.039 2.976 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.369 -7.548 3.970 1.00 0.00 C ATOM 0 H LEU A 16 -7.737 -8.392 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.071 -6.015 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.685 -8.624 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.627 -7.368 1.631 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.115 -6.884 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.623 -9.080 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.840 -9.145 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.385 -9.850 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.883 -7.587 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.643 -8.359 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.854 -6.592 3.873 1.00 0.00 H new ATOM 244 N VAL A 17 -5.464 -6.166 -0.842 1.00 0.00 N ATOM 245 CA VAL A 17 -4.474 -5.270 -1.499 1.00 0.00 C ATOM 246 C VAL A 17 -5.200 -4.346 -2.483 1.00 0.00 C ATOM 247 O VAL A 17 -4.780 -3.234 -2.736 1.00 0.00 O ATOM 248 CB VAL A 17 -3.519 -6.208 -2.237 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.632 -5.398 -3.184 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.640 -6.942 -1.221 1.00 0.00 C ATOM 0 H VAL A 17 -5.376 -7.156 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.941 -4.635 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.096 -6.932 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.952 -6.069 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.256 -4.874 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.055 -4.673 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.958 -7.611 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.065 -6.216 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.270 -7.522 -0.547 1.00 0.00 H new ATOM 260 N HIS A 18 -6.293 -4.804 -3.039 1.00 0.00 N ATOM 261 CA HIS A 18 -7.055 -3.964 -4.010 1.00 0.00 C ATOM 262 C HIS A 18 -8.046 -3.048 -3.285 1.00 0.00 C ATOM 263 O HIS A 18 -8.022 -1.842 -3.437 1.00 0.00 O ATOM 264 CB HIS A 18 -7.826 -4.965 -4.870 1.00 0.00 C ATOM 265 CG HIS A 18 -6.913 -5.563 -5.902 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.882 -4.832 -6.504 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.862 -6.820 -6.459 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.262 -5.651 -7.381 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.830 -6.848 -7.374 1.00 0.00 N ATOM 0 H HIS A 18 -6.691 -5.726 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.392 -3.323 -4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.243 -5.752 -4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.665 -4.468 -5.358 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.518 -7.644 -6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.423 -5.370 -8.000 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.553 -7.648 -7.944 1.00 0.00 H new ATOM 277 N SER A 19 -8.935 -3.620 -2.523 1.00 0.00 N ATOM 278 CA SER A 19 -9.960 -2.798 -1.811 1.00 0.00 C ATOM 279 C SER A 19 -9.333 -1.953 -0.696 1.00 0.00 C ATOM 280 O SER A 19 -9.854 -0.918 -0.331 1.00 0.00 O ATOM 281 CB SER A 19 -10.940 -3.814 -1.221 1.00 0.00 C ATOM 282 OG SER A 19 -12.184 -3.176 -0.966 1.00 0.00 O ATOM 0 H SER A 19 -8.998 -4.625 -2.360 1.00 0.00 H new ATOM 0 HA SER A 19 -10.443 -2.093 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.080 -4.645 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.537 -4.231 -0.298 1.00 0.00 H new ATOM 0 HG SER A 19 -12.814 -3.826 -0.589 1.00 0.00 H new ATOM 288 N SER A 20 -8.234 -2.382 -0.145 1.00 0.00 N ATOM 289 CA SER A 20 -7.605 -1.588 0.951 1.00 0.00 C ATOM 290 C SER A 20 -6.598 -0.586 0.389 1.00 0.00 C ATOM 291 O SER A 20 -6.581 0.567 0.768 1.00 0.00 O ATOM 292 CB SER A 20 -6.903 -2.612 1.840 1.00 0.00 C ATOM 293 OG SER A 20 -6.762 -2.077 3.148 1.00 0.00 O ATOM 0 H SER A 20 -7.746 -3.240 -0.401 1.00 0.00 H new ATOM 0 HA SER A 20 -8.345 -1.008 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.478 -3.537 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.925 -2.859 1.428 1.00 0.00 H new ATOM 0 HG SER A 20 -6.313 -2.732 3.723 1.00 0.00 H new