USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 162 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 268 HIS : no HE2:sc= -2.42! C(o=-2.4!,f=-5.1!) USER MOD Single : A 269 GLN : amide:sc= -4.91! C(o=-4.9!,f=-3.6!) USER MOD Single : A 274 LYS NZ :NH3+ 156:sc= -0.337 (180deg=-1.35!) USER MOD Single : A 276 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 279 ASN : amide:sc= -7.78! K(o=-7.8!,f=-1.5) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 286 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 15.606 1.192 -31.494 1.00 0.00 N ATOM 24 CA HIS A 268 15.002 0.945 -30.191 1.00 0.00 C ATOM 25 C HIS A 268 13.532 1.350 -30.202 1.00 0.00 C ATOM 26 O HIS A 268 13.110 2.164 -31.024 1.00 0.00 O ATOM 27 CB HIS A 268 15.748 1.744 -29.120 1.00 0.00 C ATOM 28 CG HIS A 268 16.209 3.050 -29.709 1.00 0.00 C ATOM 29 ND1 HIS A 268 17.499 3.233 -30.182 1.00 0.00 N ATOM 30 CD2 HIS A 268 15.560 4.241 -29.919 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.584 4.492 -30.650 1.00 0.00 C ATOM 32 NE2 HIS A 268 16.430 5.150 -30.515 1.00 0.00 N ATOM 0 HA HIS A 268 15.071 -0.119 -29.967 1.00 0.00 H new ATOM 0 HB2 HIS A 268 15.096 1.926 -28.265 1.00 0.00 H new ATOM 0 HB3 HIS A 268 16.602 1.175 -28.754 1.00 0.00 H new ATOM 0 HD1 HIS A 268 18.247 2.540 -30.176 1.00 0.00 H new ATOM 0 HD2 HIS A 268 14.531 4.442 -29.661 1.00 0.00 H new ATOM 0 HE1 HIS A 268 18.477 4.918 -31.082 1.00 0.00 H new ATOM 41 N GLN A 269 12.756 0.778 -29.286 1.00 0.00 N ATOM 42 CA GLN A 269 11.331 1.085 -29.198 1.00 0.00 C ATOM 43 C GLN A 269 11.024 1.829 -27.899 1.00 0.00 C ATOM 44 O GLN A 269 10.902 1.215 -26.841 1.00 0.00 O ATOM 45 CB GLN A 269 10.521 -0.214 -29.246 1.00 0.00 C ATOM 46 CG GLN A 269 11.320 -1.338 -28.582 1.00 0.00 C ATOM 47 CD GLN A 269 12.437 -1.805 -29.511 1.00 0.00 C ATOM 48 OE1 GLN A 269 12.178 -2.186 -30.653 1.00 0.00 O ATOM 49 NE2 GLN A 269 13.671 -1.798 -29.087 1.00 0.00 N ATOM 0 H GLN A 269 13.087 0.103 -28.597 1.00 0.00 H new ATOM 0 HA GLN A 269 11.058 1.720 -30.041 1.00 0.00 H new ATOM 0 HB2 GLN A 269 9.568 -0.080 -28.735 1.00 0.00 H new ATOM 0 HB3 GLN A 269 10.294 -0.476 -30.280 1.00 0.00 H new ATOM 0 HG2 GLN A 269 11.742 -0.988 -27.640 1.00 0.00 H new ATOM 0 HG3 GLN A 269 10.660 -2.173 -28.345 1.00 0.00 H new ATOM 0 HE21 GLN A 269 13.883 -1.482 -28.141 1.00 0.00 H new ATOM 0 HE22 GLN A 269 14.423 -2.108 -29.702 1.00 0.00 H new ATOM 58 N PRO A 270 10.888 3.129 -27.963 1.00 0.00 N ATOM 59 CA PRO A 270 10.579 3.948 -26.754 1.00 0.00 C ATOM 60 C PRO A 270 9.166 3.695 -26.236 1.00 0.00 C ATOM 61 O PRO A 270 8.851 3.998 -25.085 1.00 0.00 O ATOM 62 CB PRO A 270 10.737 5.387 -27.247 1.00 0.00 C ATOM 63 CG PRO A 270 11.738 5.307 -28.347 1.00 0.00 C ATOM 64 CD PRO A 270 11.545 3.939 -29.004 1.00 0.00 C ATOM 0 HA PRO A 270 11.231 3.708 -25.914 1.00 0.00 H new ATOM 0 HB2 PRO A 270 9.789 5.789 -27.604 1.00 0.00 H new ATOM 0 HB3 PRO A 270 11.080 6.043 -26.447 1.00 0.00 H new ATOM 0 HG2 PRO A 270 11.588 6.110 -29.069 1.00 0.00 H new ATOM 0 HG3 PRO A 270 12.751 5.413 -27.959 1.00 0.00 H new ATOM 0 HD2 PRO A 270 10.929 4.011 -29.901 1.00 0.00 H new ATOM 0 HD3 PRO A 270 12.498 3.504 -29.305 1.00 0.00 H new ATOM 72 N GLY A 271 8.321 3.135 -27.095 1.00 0.00 N ATOM 73 CA GLY A 271 6.944 2.841 -26.720 1.00 0.00 C ATOM 74 C GLY A 271 6.013 3.972 -27.138 1.00 0.00 C ATOM 75 O GLY A 271 4.866 3.738 -27.519 1.00 0.00 O ATOM 0 H GLY A 271 8.565 2.877 -28.051 1.00 0.00 H new ATOM 0 HA2 GLY A 271 6.626 1.910 -27.190 1.00 0.00 H new ATOM 0 HA3 GLY A 271 6.880 2.692 -25.642 1.00 0.00 H new ATOM 79 N GLY A 272 6.517 5.200 -27.071 1.00 0.00 N ATOM 80 CA GLY A 272 5.724 6.363 -27.451 1.00 0.00 C ATOM 81 C GLY A 272 5.236 6.236 -28.889 1.00 0.00 C ATOM 82 O GLY A 272 4.153 6.710 -29.233 1.00 0.00 O ATOM 0 H GLY A 272 7.464 5.415 -26.759 1.00 0.00 H new ATOM 0 HA2 GLY A 272 4.871 6.463 -26.780 1.00 0.00 H new ATOM 0 HA3 GLY A 272 6.322 7.268 -27.343 1.00 0.00 H new ATOM 86 N GLY A 273 6.045 5.594 -29.725 1.00 0.00 N ATOM 87 CA GLY A 273 5.690 5.408 -31.127 1.00 0.00 C ATOM 88 C GLY A 273 5.912 6.690 -31.920 1.00 0.00 C ATOM 89 O GLY A 273 6.738 6.732 -32.832 1.00 0.00 O ATOM 0 H GLY A 273 6.945 5.196 -29.458 1.00 0.00 H new ATOM 0 HA2 GLY A 273 6.289 4.603 -31.554 1.00 0.00 H new ATOM 0 HA3 GLY A 273 4.646 5.104 -31.205 1.00 0.00 H new ATOM 93 N LYS A 274 5.169 7.734 -31.570 1.00 0.00 N ATOM 94 CA LYS A 274 5.292 9.013 -32.258 1.00 0.00 C ATOM 95 C LYS A 274 6.707 9.567 -32.128 1.00 0.00 C ATOM 96 O LYS A 274 7.224 10.192 -33.054 1.00 0.00 O ATOM 97 CB LYS A 274 4.296 10.017 -31.674 1.00 0.00 C ATOM 98 CG LYS A 274 4.342 11.311 -32.487 1.00 0.00 C ATOM 99 CD LYS A 274 3.396 12.340 -31.864 1.00 0.00 C ATOM 100 CE LYS A 274 3.323 13.577 -32.760 1.00 0.00 C ATOM 101 NZ LYS A 274 3.089 13.155 -34.171 1.00 0.00 N ATOM 0 H LYS A 274 4.479 7.720 -30.819 1.00 0.00 H new ATOM 0 HA LYS A 274 5.076 8.853 -33.314 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.289 9.599 -31.692 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.538 10.221 -30.631 1.00 0.00 H new ATOM 0 HG2 LYS A 274 5.359 11.703 -32.509 1.00 0.00 H new ATOM 0 HG3 LYS A 274 4.053 11.115 -33.520 1.00 0.00 H new ATOM 0 HD2 LYS A 274 2.403 11.908 -31.741 1.00 0.00 H new ATOM 0 HD3 LYS A 274 3.748 12.618 -30.871 1.00 0.00 H new ATOM 0 HE2 LYS A 274 2.519 14.233 -32.427 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.250 14.146 -32.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 2.645 13.934 -34.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 3.997 12.910 -34.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 2.462 12.326 -34.186 1.00 0.00 H new ATOM 115 N VAL A 275 7.330 9.340 -30.975 1.00 0.00 N ATOM 116 CA VAL A 275 8.683 9.831 -30.746 1.00 0.00 C ATOM 117 C VAL A 275 9.715 8.781 -31.144 1.00 0.00 C ATOM 118 O VAL A 275 9.639 7.629 -30.716 1.00 0.00 O ATOM 119 CB VAL A 275 8.865 10.189 -29.270 1.00 0.00 C ATOM 120 CG1 VAL A 275 7.878 11.293 -28.887 1.00 0.00 C ATOM 121 CG2 VAL A 275 8.602 8.950 -28.411 1.00 0.00 C ATOM 0 H VAL A 275 6.924 8.825 -30.194 1.00 0.00 H new ATOM 0 HA VAL A 275 8.832 10.719 -31.360 1.00 0.00 H new ATOM 0 HB VAL A 275 9.884 10.539 -29.103 1.00 0.00 H new ATOM 0 HG11 VAL A 275 8.008 11.548 -27.835 1.00 0.00 H new ATOM 0 HG12 VAL A 275 8.063 12.175 -29.500 1.00 0.00 H new ATOM 0 HG13 VAL A 275 6.859 10.943 -29.053 1.00 0.00 H new ATOM 0 HG21 VAL A 275 8.731 9.203 -27.359 1.00 0.00 H new ATOM 0 HG22 VAL A 275 7.583 8.601 -28.578 1.00 0.00 H new ATOM 0 HG23 VAL A 275 9.304 8.162 -28.684 1.00 0.00 H new ATOM 131 N GLN A 276 10.684 9.190 -31.955 1.00 0.00 N ATOM 132 CA GLN A 276 11.731 8.276 -32.392 1.00 0.00 C ATOM 133 C GLN A 276 12.633 7.915 -31.217 1.00 0.00 C ATOM 134 O GLN A 276 13.183 6.816 -31.154 1.00 0.00 O ATOM 135 CB GLN A 276 12.568 8.924 -33.498 1.00 0.00 C ATOM 136 CG GLN A 276 11.649 9.397 -34.626 1.00 0.00 C ATOM 137 CD GLN A 276 10.769 8.247 -35.105 1.00 0.00 C ATOM 138 OE1 GLN A 276 11.276 7.203 -35.512 1.00 0.00 O ATOM 139 NE2 GLN A 276 9.470 8.378 -35.071 1.00 0.00 N ATOM 0 H GLN A 276 10.766 10.139 -32.320 1.00 0.00 H new ATOM 0 HA GLN A 276 11.264 7.370 -32.779 1.00 0.00 H new ATOM 0 HB2 GLN A 276 13.131 9.767 -33.096 1.00 0.00 H new ATOM 0 HB3 GLN A 276 13.296 8.210 -33.883 1.00 0.00 H new ATOM 0 HG2 GLN A 276 11.026 10.220 -34.276 1.00 0.00 H new ATOM 0 HG3 GLN A 276 12.245 9.778 -35.455 1.00 0.00 H new ATOM 0 HE21 GLN A 276 9.054 9.246 -34.733 1.00 0.00 H new ATOM 0 HE22 GLN A 276 8.872 7.613 -35.383 1.00 0.00 H new ATOM 148 N ILE A 277 12.779 8.857 -30.290 1.00 0.00 N ATOM 149 CA ILE A 277 13.616 8.645 -29.114 1.00 0.00 C ATOM 150 C ILE A 277 12.956 9.261 -27.886 1.00 0.00 C ATOM 151 O ILE A 277 11.845 8.884 -27.512 1.00 0.00 O ATOM 152 CB ILE A 277 14.989 9.287 -29.331 1.00 0.00 C ATOM 153 CG1 ILE A 277 15.561 8.818 -30.673 1.00 0.00 C ATOM 154 CG2 ILE A 277 15.944 8.882 -28.200 1.00 0.00 C ATOM 155 CD1 ILE A 277 16.912 9.492 -30.917 1.00 0.00 C ATOM 0 H ILE A 277 12.330 9.772 -30.330 1.00 0.00 H new ATOM 0 HA ILE A 277 13.738 7.573 -28.957 1.00 0.00 H new ATOM 0 HB ILE A 277 14.881 10.372 -29.334 1.00 0.00 H new ATOM 0 HG12 ILE A 277 15.679 7.734 -30.671 1.00 0.00 H new ATOM 0 HG13 ILE A 277 14.870 9.062 -31.480 1.00 0.00 H new ATOM 0 HG21 ILE A 277 16.918 9.344 -28.363 1.00 0.00 H new ATOM 0 HG22 ILE A 277 15.539 9.217 -27.245 1.00 0.00 H new ATOM 0 HG23 ILE A 277 16.054 7.798 -28.187 1.00 0.00 H new ATOM 0 HD11 ILE A 277 17.318 9.158 -31.872 1.00 0.00 H new ATOM 0 HD12 ILE A 277 16.780 10.574 -30.937 1.00 0.00 H new ATOM 0 HD13 ILE A 277 17.602 9.225 -30.116 1.00 0.00 H new ATOM 167 N ILE A 278 13.643 10.220 -27.274 1.00 0.00 N ATOM 168 CA ILE A 278 13.118 10.899 -26.094 1.00 0.00 C ATOM 169 C ILE A 278 12.766 9.897 -24.997 1.00 0.00 C ATOM 170 O ILE A 278 13.476 9.782 -23.998 1.00 0.00 O ATOM 171 CB ILE A 278 11.870 11.697 -26.478 1.00 0.00 C ATOM 172 CG1 ILE A 278 12.222 12.673 -27.606 1.00 0.00 C ATOM 173 CG2 ILE A 278 11.374 12.483 -25.263 1.00 0.00 C ATOM 174 CD1 ILE A 278 10.943 13.290 -28.180 1.00 0.00 C ATOM 0 H ILE A 278 14.562 10.544 -27.574 1.00 0.00 H new ATOM 0 HA ILE A 278 13.886 11.571 -25.712 1.00 0.00 H new ATOM 0 HB ILE A 278 11.089 11.015 -26.813 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.877 13.458 -27.228 1.00 0.00 H new ATOM 0 HG13 ILE A 278 12.769 12.152 -28.392 1.00 0.00 H new ATOM 0 HG21 ILE A 278 10.485 13.052 -25.536 1.00 0.00 H new ATOM 0 HG22 ILE A 278 11.129 11.791 -24.457 1.00 0.00 H new ATOM 0 HG23 ILE A 278 12.154 13.167 -24.929 1.00 0.00 H new ATOM 0 HD11 ILE A 278 11.201 13.983 -28.981 1.00 0.00 H new ATOM 0 HD12 ILE A 278 10.304 12.500 -28.575 1.00 0.00 H new ATOM 0 HD13 ILE A 278 10.413 13.827 -27.393 1.00 0.00 H new ATOM 186 N ASN A 279 11.665 9.179 -25.190 1.00 0.00 N ATOM 187 CA ASN A 279 11.220 8.195 -24.211 1.00 0.00 C ATOM 188 C ASN A 279 12.067 6.928 -24.297 1.00 0.00 C ATOM 189 O ASN A 279 11.824 5.957 -23.582 1.00 0.00 O ATOM 190 CB ASN A 279 9.748 7.848 -24.450 1.00 0.00 C ATOM 191 CG ASN A 279 8.888 9.103 -24.335 1.00 0.00 C ATOM 192 OD1 ASN A 279 7.716 9.021 -23.965 1.00 0.00 O ATOM 193 ND2 ASN A 279 9.397 10.267 -24.636 1.00 0.00 N ATOM 0 H ASN A 279 11.067 9.260 -26.012 1.00 0.00 H new ATOM 0 HA ASN A 279 11.334 8.625 -23.216 1.00 0.00 H new ATOM 0 HB2 ASN A 279 9.627 7.404 -25.438 1.00 0.00 H new ATOM 0 HB3 ASN A 279 9.419 7.105 -23.724 1.00 0.00 H new ATOM 0 HD21 ASN A 279 8.824 11.108 -24.565 1.00 0.00 H new ATOM 0 HD22 ASN A 279 10.367 10.335 -24.942 1.00 0.00 H new ATOM 200 N LYS A 280 13.061 6.944 -25.177 1.00 0.00 N ATOM 201 CA LYS A 280 13.935 5.788 -25.346 1.00 0.00 C ATOM 202 C LYS A 280 14.486 5.331 -24.003 1.00 0.00 C ATOM 203 O LYS A 280 14.824 4.160 -23.827 1.00 0.00 O ATOM 204 CB LYS A 280 15.103 6.139 -26.268 1.00 0.00 C ATOM 205 CG LYS A 280 15.961 4.892 -26.501 1.00 0.00 C ATOM 206 CD LYS A 280 17.154 5.250 -27.390 1.00 0.00 C ATOM 207 CE LYS A 280 18.098 6.185 -26.630 1.00 0.00 C ATOM 208 NZ LYS A 280 19.479 6.046 -27.175 1.00 0.00 N ATOM 0 H LYS A 280 13.281 7.737 -25.780 1.00 0.00 H new ATOM 0 HA LYS A 280 13.347 4.983 -25.787 1.00 0.00 H new ATOM 0 HB2 LYS A 280 14.729 6.519 -27.219 1.00 0.00 H new ATOM 0 HB3 LYS A 280 15.706 6.931 -25.824 1.00 0.00 H new ATOM 0 HG2 LYS A 280 16.311 4.495 -25.548 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.365 4.111 -26.972 1.00 0.00 H new ATOM 0 HD2 LYS A 280 17.684 4.345 -27.687 1.00 0.00 H new ATOM 0 HD3 LYS A 280 16.808 5.731 -28.305 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.760 7.217 -26.725 1.00 0.00 H new ATOM 0 HE3 LYS A 280 18.089 5.943 -25.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.121 6.681 -26.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 19.799 5.063 -27.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 19.481 6.297 -28.184 1.00 0.00 H new ATOM 222 N LYS A 281 14.590 6.261 -23.063 1.00 0.00 N ATOM 223 CA LYS A 281 15.124 5.936 -21.749 1.00 0.00 C ATOM 224 C LYS A 281 14.383 4.737 -21.170 1.00 0.00 C ATOM 225 O LYS A 281 14.973 3.900 -20.486 1.00 0.00 O ATOM 226 CB LYS A 281 14.967 7.136 -20.815 1.00 0.00 C ATOM 227 CG LYS A 281 15.434 8.407 -21.532 1.00 0.00 C ATOM 228 CD LYS A 281 16.807 8.173 -22.165 1.00 0.00 C ATOM 229 CE LYS A 281 17.408 9.515 -22.582 1.00 0.00 C ATOM 230 NZ LYS A 281 18.572 9.280 -23.481 1.00 0.00 N ATOM 0 H LYS A 281 14.315 7.236 -23.184 1.00 0.00 H new ATOM 0 HA LYS A 281 16.182 5.691 -21.846 1.00 0.00 H new ATOM 0 HB2 LYS A 281 13.925 7.239 -20.511 1.00 0.00 H new ATOM 0 HB3 LYS A 281 15.551 6.983 -19.907 1.00 0.00 H new ATOM 0 HG2 LYS A 281 14.713 8.688 -22.300 1.00 0.00 H new ATOM 0 HG3 LYS A 281 15.486 9.235 -20.825 1.00 0.00 H new ATOM 0 HD2 LYS A 281 17.466 7.671 -21.456 1.00 0.00 H new ATOM 0 HD3 LYS A 281 16.714 7.519 -23.032 1.00 0.00 H new ATOM 0 HE2 LYS A 281 16.657 10.119 -23.092 1.00 0.00 H new ATOM 0 HE3 LYS A 281 17.723 10.074 -21.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 18.981 10.193 -23.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 19.290 8.720 -22.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 18.258 8.763 -24.327 1.00 0.00 H new ATOM 244 N LEU A 282 13.090 4.653 -21.461 1.00 0.00 N ATOM 245 CA LEU A 282 12.280 3.541 -20.979 1.00 0.00 C ATOM 246 C LEU A 282 12.730 2.238 -21.633 1.00 0.00 C ATOM 247 O LEU A 282 12.667 1.170 -21.025 1.00 0.00 O ATOM 248 CB LEU A 282 10.802 3.793 -21.289 1.00 0.00 C ATOM 249 CG LEU A 282 10.229 4.796 -20.285 1.00 0.00 C ATOM 250 CD1 LEU A 282 10.915 6.153 -20.458 1.00 0.00 C ATOM 251 CD2 LEU A 282 8.725 4.957 -20.528 1.00 0.00 C ATOM 0 H LEU A 282 12.583 5.336 -22.024 1.00 0.00 H new ATOM 0 HA LEU A 282 12.409 3.459 -19.900 1.00 0.00 H new ATOM 0 HB2 LEU A 282 10.693 4.177 -22.303 1.00 0.00 H new ATOM 0 HB3 LEU A 282 10.245 2.857 -21.241 1.00 0.00 H new ATOM 0 HG LEU A 282 10.402 4.429 -19.273 1.00 0.00 H new ATOM 0 HD11 LEU A 282 10.503 6.863 -19.741 1.00 0.00 H new ATOM 0 HD12 LEU A 282 11.986 6.044 -20.286 1.00 0.00 H new ATOM 0 HD13 LEU A 282 10.745 6.520 -21.470 1.00 0.00 H new ATOM 0 HD21 LEU A 282 8.315 5.671 -19.814 1.00 0.00 H new ATOM 0 HD22 LEU A 282 8.557 5.321 -21.542 1.00 0.00 H new ATOM 0 HD23 LEU A 282 8.231 3.994 -20.402 1.00 0.00 H new ATOM 263 N ASP A 283 13.185 2.339 -22.879 1.00 0.00 N ATOM 264 CA ASP A 283 13.645 1.167 -23.616 1.00 0.00 C ATOM 265 C ASP A 283 15.090 0.836 -23.255 1.00 0.00 C ATOM 266 O ASP A 283 15.991 1.645 -23.475 1.00 0.00 O ATOM 267 CB ASP A 283 13.545 1.426 -25.121 1.00 0.00 C ATOM 268 CG ASP A 283 13.850 0.146 -25.890 1.00 0.00 C ATOM 269 OD1 ASP A 283 13.997 -0.884 -25.252 1.00 0.00 O ATOM 270 OD2 ASP A 283 13.933 0.213 -27.105 1.00 0.00 O ATOM 0 H ASP A 283 13.245 3.216 -23.397 1.00 0.00 H new ATOM 0 HA ASP A 283 13.012 0.322 -23.346 1.00 0.00 H new ATOM 0 HB2 ASP A 283 12.546 1.782 -25.372 1.00 0.00 H new ATOM 0 HB3 ASP A 283 14.244 2.210 -25.411 1.00 0.00 H new ATOM 275 N LEU A 284 15.310 -0.359 -22.719 1.00 0.00 N ATOM 276 CA LEU A 284 16.657 -0.777 -22.359 1.00 0.00 C ATOM 277 C LEU A 284 17.456 -1.029 -23.627 1.00 0.00 C ATOM 278 O LEU A 284 18.685 -0.959 -23.625 1.00 0.00 O ATOM 279 CB LEU A 284 16.622 -2.060 -21.519 1.00 0.00 C ATOM 280 CG LEU A 284 15.649 -1.900 -20.342 1.00 0.00 C ATOM 281 CD1 LEU A 284 15.901 -0.559 -19.651 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.194 -1.958 -20.840 1.00 0.00 C ATOM 0 H LEU A 284 14.582 -1.047 -22.526 1.00 0.00 H new ATOM 0 HA LEU A 284 17.123 0.012 -21.769 1.00 0.00 H new ATOM 0 HB2 LEU A 284 16.316 -2.902 -22.141 1.00 0.00 H new ATOM 0 HB3 LEU A 284 17.621 -2.286 -21.146 1.00 0.00 H new ATOM 0 HG LEU A 284 15.812 -2.714 -19.635 1.00 0.00 H new ATOM 0 HD11 LEU A 284 15.211 -0.445 -18.815 1.00 0.00 H new ATOM 0 HD12 LEU A 284 16.926 -0.527 -19.282 1.00 0.00 H new ATOM 0 HD13 LEU A 284 15.746 0.252 -20.363 1.00 0.00 H new ATOM 0 HD21 LEU A 284 13.515 -1.843 -19.995 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.022 -1.154 -21.555 1.00 0.00 H new ATOM 0 HD23 LEU A 284 14.013 -2.918 -21.323 1.00 0.00 H new ATOM 294 N SER A 285 16.730 -1.346 -24.699 1.00 0.00 N ATOM 295 CA SER A 285 17.336 -1.638 -25.992 1.00 0.00 C ATOM 296 C SER A 285 17.550 -3.138 -26.117 1.00 0.00 C ATOM 297 O SER A 285 16.709 -3.930 -25.693 1.00 0.00 O ATOM 298 CB SER A 285 18.670 -0.905 -26.155 1.00 0.00 C ATOM 299 OG SER A 285 18.937 -0.723 -27.540 1.00 0.00 O ATOM 0 H SER A 285 15.712 -1.407 -24.693 1.00 0.00 H new ATOM 0 HA SER A 285 16.665 -1.292 -26.778 1.00 0.00 H new ATOM 0 HB2 SER A 285 18.633 0.060 -25.650 1.00 0.00 H new ATOM 0 HB3 SER A 285 19.472 -1.477 -25.690 1.00 0.00 H new ATOM 0 HG SER A 285 19.790 -0.252 -27.650 1.00 0.00 H new ATOM 305 N ASN A 286 18.681 -3.528 -26.683 1.00 0.00 N ATOM 306 CA ASN A 286 18.985 -4.943 -26.832 1.00 0.00 C ATOM 307 C ASN A 286 18.955 -5.622 -25.470 1.00 0.00 C ATOM 308 O ASN A 286 18.623 -6.803 -25.359 1.00 0.00 O ATOM 309 CB ASN A 286 20.364 -5.121 -27.472 1.00 0.00 C ATOM 310 CG ASN A 286 20.386 -4.471 -28.850 1.00 0.00 C ATOM 311 OD1 ASN A 286 21.333 -3.761 -29.188 1.00 0.00 O ATOM 312 ND2 ASN A 286 19.391 -4.670 -29.671 1.00 0.00 N ATOM 0 H ASN A 286 19.395 -2.895 -27.043 1.00 0.00 H new ATOM 0 HA ASN A 286 18.235 -5.400 -27.478 1.00 0.00 H new ATOM 0 HB2 ASN A 286 21.129 -4.674 -26.837 1.00 0.00 H new ATOM 0 HB3 ASN A 286 20.601 -6.182 -27.557 1.00 0.00 H new ATOM 0 HD21 ASN A 286 19.397 -4.237 -30.594 1.00 0.00 H new ATOM 0 HD22 ASN A 286 18.607 -5.259 -29.389 1.00 0.00 H new ATOM 319 N VAL A 287 19.299 -4.864 -24.433 1.00 0.00 N ATOM 320 CA VAL A 287 19.301 -5.395 -23.078 1.00 0.00 C ATOM 321 C VAL A 287 17.902 -5.858 -22.694 1.00 0.00 C ATOM 322 O VAL A 287 17.738 -6.816 -21.937 1.00 0.00 O ATOM 323 CB VAL A 287 19.780 -4.324 -22.097 1.00 0.00 C ATOM 324 CG1 VAL A 287 19.577 -4.816 -20.664 1.00 0.00 C ATOM 325 CG2 VAL A 287 21.266 -4.047 -22.333 1.00 0.00 C ATOM 0 H VAL A 287 19.578 -3.886 -24.506 1.00 0.00 H new ATOM 0 HA VAL A 287 19.980 -6.247 -23.036 1.00 0.00 H new ATOM 0 HB VAL A 287 19.208 -3.409 -22.251 1.00 0.00 H new ATOM 0 HG11 VAL A 287 19.919 -4.052 -19.965 1.00 0.00 H new ATOM 0 HG12 VAL A 287 18.519 -5.016 -20.494 1.00 0.00 H new ATOM 0 HG13 VAL A 287 20.149 -5.731 -20.509 1.00 0.00 H new ATOM 0 HG21 VAL A 287 21.609 -3.284 -21.635 1.00 0.00 H new ATOM 0 HG22 VAL A 287 21.836 -4.963 -22.178 1.00 0.00 H new ATOM 0 HG23 VAL A 287 21.413 -3.696 -23.355 1.00 0.00 H new