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 35:sc= 0.836 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0.00493 USER MOD Single : A 9 THR OG1 : rot -114:sc= 0.555 USER MOD Single : A 10 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.85) USER MOD Single : A 14 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.9!) USER MOD Single : A 18 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) 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 -7.940 -23.523 -0.110 1.00 0.00 N ATOM 50 CA THR A 4 -8.781 -22.584 0.666 1.00 0.00 C ATOM 51 C THR A 4 -7.915 -21.764 1.594 1.00 0.00 C ATOM 52 O THR A 4 -7.512 -20.677 1.250 1.00 0.00 O ATOM 53 CB THR A 4 -9.803 -23.447 1.418 1.00 0.00 C ATOM 54 OG1 THR A 4 -10.097 -24.605 0.649 1.00 0.00 O ATOM 55 CG2 THR A 4 -11.085 -22.643 1.639 1.00 0.00 C ATOM 0 HA THR A 4 -9.302 -21.867 0.031 1.00 0.00 H new ATOM 0 HB THR A 4 -9.391 -23.744 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.290 -24.897 0.176 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.811 -23.256 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.860 -21.753 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.499 -22.347 0.675 1.00 0.00 H new ATOM 63 N ALA A 5 -7.575 -22.259 2.742 1.00 0.00 N ATOM 64 CA ALA A 5 -6.695 -21.457 3.625 1.00 0.00 C ATOM 65 C ALA A 5 -5.553 -20.873 2.784 1.00 0.00 C ATOM 66 O ALA A 5 -4.960 -19.870 3.130 1.00 0.00 O ATOM 67 CB ALA A 5 -6.161 -22.448 4.658 1.00 0.00 C ATOM 0 H ALA A 5 -7.861 -23.168 3.105 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.210 -20.625 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.499 -21.929 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.994 -22.883 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.608 -23.239 4.151 1.00 0.00 H new ATOM 73 N THR A 6 -5.268 -21.480 1.652 1.00 0.00 N ATOM 74 CA THR A 6 -4.177 -20.955 0.780 1.00 0.00 C ATOM 75 C THR A 6 -4.727 -19.959 -0.245 1.00 0.00 C ATOM 76 O THR A 6 -4.550 -18.765 -0.112 1.00 0.00 O ATOM 77 CB THR A 6 -3.580 -22.185 0.088 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.699 -23.316 0.943 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.103 -21.922 -0.214 1.00 0.00 C ATOM 0 H THR A 6 -5.744 -22.311 1.301 1.00 0.00 H new ATOM 0 HA THR A 6 -3.425 -20.414 1.355 1.00 0.00 H new ATOM 0 HB THR A 6 -4.115 -22.380 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.319 -24.103 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.672 -22.793 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.014 -21.054 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.570 -21.731 0.717 1.00 0.00 H new ATOM 87 N CYS A 7 -5.391 -20.430 -1.269 1.00 0.00 N ATOM 88 CA CYS A 7 -5.936 -19.485 -2.283 1.00 0.00 C ATOM 89 C CYS A 7 -6.972 -18.574 -1.626 1.00 0.00 C ATOM 90 O CYS A 7 -7.197 -17.462 -2.063 1.00 0.00 O ATOM 91 CB CYS A 7 -6.578 -20.360 -3.359 1.00 0.00 C ATOM 92 SG CYS A 7 -5.497 -20.408 -4.815 1.00 0.00 S ATOM 0 H CYS A 7 -5.577 -21.417 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.166 -18.843 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.738 -21.368 -2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.556 -19.963 -3.631 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.038 -21.153 -5.733 1.00 0.00 H new ATOM 97 N ALA A 8 -7.594 -19.024 -0.568 1.00 0.00 N ATOM 98 CA ALA A 8 -8.592 -18.152 0.106 1.00 0.00 C ATOM 99 C ALA A 8 -7.855 -17.009 0.801 1.00 0.00 C ATOM 100 O ALA A 8 -8.095 -15.852 0.518 1.00 0.00 O ATOM 101 CB ALA A 8 -9.329 -19.028 1.119 1.00 0.00 C ATOM 0 H ALA A 8 -7.456 -19.944 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.303 -17.717 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.076 -18.430 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.821 -19.850 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.616 -19.429 1.839 1.00 0.00 H new ATOM 107 N THR A 9 -6.931 -17.307 1.684 1.00 0.00 N ATOM 108 CA THR A 9 -6.185 -16.194 2.330 1.00 0.00 C ATOM 109 C THR A 9 -5.543 -15.356 1.226 1.00 0.00 C ATOM 110 O THR A 9 -5.334 -14.167 1.365 1.00 0.00 O ATOM 111 CB THR A 9 -5.120 -16.856 3.208 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.334 -17.738 2.419 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.799 -17.638 4.334 1.00 0.00 C ATOM 0 H THR A 9 -6.670 -18.249 1.976 1.00 0.00 H new ATOM 0 HA THR A 9 -6.819 -15.542 2.932 1.00 0.00 H new ATOM 0 HB THR A 9 -4.477 -16.089 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.481 -18.661 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.040 -18.109 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.397 -16.958 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.444 -18.405 3.906 1.00 0.00 H new ATOM 121 N GLN A 10 -5.248 -15.983 0.117 1.00 0.00 N ATOM 122 CA GLN A 10 -4.640 -15.258 -1.022 1.00 0.00 C ATOM 123 C GLN A 10 -5.722 -14.471 -1.767 1.00 0.00 C ATOM 124 O GLN A 10 -5.451 -13.488 -2.431 1.00 0.00 O ATOM 125 CB GLN A 10 -4.060 -16.349 -1.922 1.00 0.00 C ATOM 126 CG GLN A 10 -2.667 -16.736 -1.426 1.00 0.00 C ATOM 127 CD GLN A 10 -1.771 -15.496 -1.393 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.763 -15.479 -0.714 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.095 -14.450 -2.104 1.00 0.00 N ATOM 0 H GLN A 10 -5.407 -16.978 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.878 -14.546 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.713 -17.222 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.005 -15.994 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.733 -17.176 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.234 -17.493 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.941 -14.463 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.502 -13.620 -2.089 1.00 0.00 H new ATOM 138 N ARG A 11 -6.957 -14.871 -1.625 1.00 0.00 N ATOM 139 CA ARG A 11 -8.056 -14.125 -2.291 1.00 0.00 C ATOM 140 C ARG A 11 -8.441 -13.035 -1.329 1.00 0.00 C ATOM 141 O ARG A 11 -8.625 -11.886 -1.677 1.00 0.00 O ATOM 142 CB ARG A 11 -9.195 -15.131 -2.471 1.00 0.00 C ATOM 143 CG ARG A 11 -9.526 -15.264 -3.957 1.00 0.00 C ATOM 144 CD ARG A 11 -8.406 -16.032 -4.658 1.00 0.00 C ATOM 145 NE ARG A 11 -9.034 -17.309 -5.100 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.810 -17.762 -6.303 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.162 -17.056 -7.342 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.233 -18.922 -6.467 1.00 0.00 N ATOM 0 H ARG A 11 -7.249 -15.680 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.796 -13.692 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.907 -16.100 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.076 -14.802 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.475 -15.785 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.642 -14.277 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.013 -15.471 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.570 -16.216 -3.983 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.638 -17.828 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.612 -16.150 -7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.987 -17.410 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.957 -19.474 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.058 -19.276 -7.407 1.00 0.00 H new ATOM 162 N LEU A 12 -8.497 -13.409 -0.094 1.00 0.00 N ATOM 163 CA LEU A 12 -8.794 -12.439 0.970 1.00 0.00 C ATOM 164 C LEU A 12 -7.756 -11.320 0.911 1.00 0.00 C ATOM 165 O LEU A 12 -8.077 -10.148 0.965 1.00 0.00 O ATOM 166 CB LEU A 12 -8.651 -13.264 2.242 1.00 0.00 C ATOM 167 CG LEU A 12 -10.009 -13.839 2.645 1.00 0.00 C ATOM 168 CD1 LEU A 12 -11.012 -12.699 2.828 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.510 -14.785 1.551 1.00 0.00 C ATOM 0 H LEU A 12 -8.346 -14.365 0.227 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.774 -11.968 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.937 -14.072 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.256 -12.643 3.046 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.906 -14.388 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.980 -13.109 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.658 -12.024 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.114 -12.150 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.478 -15.194 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.612 -14.237 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.797 -15.599 1.419 1.00 0.00 H new ATOM 181 N ALA A 13 -6.511 -11.681 0.768 1.00 0.00 N ATOM 182 CA ALA A 13 -5.440 -10.653 0.668 1.00 0.00 C ATOM 183 C ALA A 13 -5.607 -9.898 -0.650 1.00 0.00 C ATOM 184 O ALA A 13 -5.162 -8.778 -0.804 1.00 0.00 O ATOM 185 CB ALA A 13 -4.128 -11.436 0.683 1.00 0.00 C ATOM 0 H ALA A 13 -6.189 -12.647 0.716 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.470 -9.923 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.290 -10.743 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.053 -12.003 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.104 -12.122 -0.164 1.00 0.00 H new ATOM 191 N ASN A 14 -6.268 -10.507 -1.596 1.00 0.00 N ATOM 192 CA ASN A 14 -6.499 -9.837 -2.902 1.00 0.00 C ATOM 193 C ASN A 14 -7.367 -8.607 -2.667 1.00 0.00 C ATOM 194 O ASN A 14 -7.084 -7.530 -3.154 1.00 0.00 O ATOM 195 CB ASN A 14 -7.233 -10.870 -3.760 1.00 0.00 C ATOM 196 CG ASN A 14 -6.875 -10.661 -5.233 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.305 -9.649 -5.593 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.186 -11.581 -6.105 1.00 0.00 N ATOM 0 H ASN A 14 -6.659 -11.446 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.580 -9.509 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.959 -11.878 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.310 -10.775 -3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.951 -11.451 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.664 -12.430 -5.802 1.00 0.00 H new ATOM 205 N PHE A 15 -8.409 -8.749 -1.889 1.00 0.00 N ATOM 206 CA PHE A 15 -9.262 -7.572 -1.591 1.00 0.00 C ATOM 207 C PHE A 15 -8.428 -6.594 -0.781 1.00 0.00 C ATOM 208 O PHE A 15 -8.671 -5.408 -0.767 1.00 0.00 O ATOM 209 CB PHE A 15 -10.434 -8.100 -0.759 1.00 0.00 C ATOM 210 CG PHE A 15 -10.915 -9.410 -1.327 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.302 -9.496 -2.669 1.00 0.00 C ATOM 212 CD2 PHE A 15 -10.966 -10.543 -0.510 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.745 -10.716 -3.192 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.407 -11.763 -1.031 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.796 -11.852 -2.373 1.00 0.00 C ATOM 0 H PHE A 15 -8.700 -9.624 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.628 -7.067 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.124 -8.234 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.247 -7.374 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.259 -8.621 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.664 -10.476 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.048 -10.782 -4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.448 -12.637 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.135 -12.795 -2.776 1.00 0.00 H new ATOM 225 N LEU A 16 -7.416 -7.088 -0.120 1.00 0.00 N ATOM 226 CA LEU A 16 -6.546 -6.175 0.667 1.00 0.00 C ATOM 227 C LEU A 16 -6.028 -5.083 -0.266 1.00 0.00 C ATOM 228 O LEU A 16 -5.960 -3.922 0.088 1.00 0.00 O ATOM 229 CB LEU A 16 -5.396 -7.048 1.172 1.00 0.00 C ATOM 230 CG LEU A 16 -5.075 -6.702 2.631 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.113 -5.185 2.836 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.104 -7.369 3.548 1.00 0.00 C ATOM 0 H LEU A 16 -7.158 -8.074 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.064 -5.694 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.665 -8.101 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.513 -6.896 0.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.076 -7.065 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.883 -4.953 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.376 -4.712 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.107 -4.810 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.879 -7.125 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.102 -7.008 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.065 -8.450 3.413 1.00 0.00 H new ATOM 244 N VAL A 17 -5.679 -5.456 -1.468 1.00 0.00 N ATOM 245 CA VAL A 17 -5.177 -4.450 -2.447 1.00 0.00 C ATOM 246 C VAL A 17 -6.356 -3.795 -3.175 1.00 0.00 C ATOM 247 O VAL A 17 -6.405 -2.593 -3.339 1.00 0.00 O ATOM 248 CB VAL A 17 -4.318 -5.245 -3.429 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.879 -4.328 -4.572 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.083 -5.789 -2.707 1.00 0.00 C ATOM 0 H VAL A 17 -5.720 -6.415 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.611 -3.651 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.897 -6.077 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.266 -4.891 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.759 -3.941 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.299 -3.497 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.471 -6.356 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.501 -4.959 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.396 -6.440 -1.891 1.00 0.00 H new ATOM 260 N HIS A 18 -7.310 -4.578 -3.609 1.00 0.00 N ATOM 261 CA HIS A 18 -8.485 -3.997 -4.320 1.00 0.00 C ATOM 262 C HIS A 18 -9.305 -3.146 -3.350 1.00 0.00 C ATOM 263 O HIS A 18 -9.634 -2.011 -3.627 1.00 0.00 O ATOM 264 CB HIS A 18 -9.303 -5.199 -4.795 1.00 0.00 C ATOM 265 CG HIS A 18 -8.615 -5.849 -5.966 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.202 -5.906 -7.236 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.396 -6.478 -6.083 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.343 -6.552 -8.053 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.254 -6.905 -7.389 1.00 0.00 N ATOM 0 H HIS A 18 -7.325 -5.592 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.191 -3.355 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.417 -5.917 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.305 -4.879 -5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.675 -6.614 -5.290 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.519 -6.752 -9.100 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.452 -7.404 -7.774 1.00 0.00 H new ATOM 277 N SER A 19 -9.629 -3.685 -2.209 1.00 0.00 N ATOM 278 CA SER A 19 -10.420 -2.904 -1.216 1.00 0.00 C ATOM 279 C SER A 19 -9.704 -1.591 -0.905 1.00 0.00 C ATOM 280 O SER A 19 -10.271 -0.521 -1.009 1.00 0.00 O ATOM 281 CB SER A 19 -10.485 -3.788 0.028 1.00 0.00 C ATOM 282 OG SER A 19 -11.462 -3.273 0.922 1.00 0.00 O ATOM 0 H SER A 19 -9.381 -4.631 -1.920 1.00 0.00 H new ATOM 0 HA SER A 19 -11.415 -2.651 -1.582 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.736 -4.811 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.511 -3.821 0.516 1.00 0.00 H new ATOM 0 HG SER A 19 -11.506 -3.840 1.720 1.00 0.00 H new ATOM 288 N SER A 20 -8.459 -1.665 -0.530 1.00 0.00 N ATOM 289 CA SER A 20 -7.699 -0.422 -0.218 1.00 0.00 C ATOM 290 C SER A 20 -7.631 0.472 -1.458 1.00 0.00 C ATOM 291 O SER A 20 -7.370 1.656 -1.369 1.00 0.00 O ATOM 292 CB SER A 20 -6.303 -0.902 0.177 1.00 0.00 C ATOM 293 OG SER A 20 -5.369 0.148 -0.031 1.00 0.00 O ATOM 0 H SER A 20 -7.933 -2.533 -0.426 1.00 0.00 H new ATOM 0 HA SER A 20 -8.165 0.165 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.294 -1.210 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.025 -1.774 -0.415 1.00 0.00 H new ATOM 0 HG SER A 20 -4.473 -0.156 0.223 1.00 0.00 H new