USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 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 227 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 234 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.098) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ -117:sc= 0.92 (180deg=-0.0555) USER MOD Single : A 242 HIS : no HD1:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : A 244 ASN : amide:sc= 0.385 K(o=0.38,f=-3.7!) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 SER OG : rot 180:sc= -0.674 USER MOD Single : A 261 LYS NZ :NH3+ -168:sc= -0.0201 (180deg=-0.21) USER MOD Single : A 264 CYS SG : rot 80:sc= -6.05! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -0.917 -14.899 -0.298 1.00 0.00 N ATOM 115 CA TYR A 227 -2.022 -14.293 0.463 1.00 0.00 C ATOM 116 C TYR A 227 -2.316 -12.863 -0.031 1.00 0.00 C ATOM 117 O TYR A 227 -1.475 -12.217 -0.669 1.00 0.00 O ATOM 118 CB TYR A 227 -1.659 -14.224 1.968 1.00 0.00 C ATOM 119 CG TYR A 227 -1.544 -15.572 2.683 1.00 0.00 C ATOM 120 CD1 TYR A 227 -0.400 -16.368 2.562 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.578 -16.039 3.495 1.00 0.00 C ATOM 122 CE1 TYR A 227 -0.301 -17.575 3.221 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.479 -17.243 4.157 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.342 -18.008 4.017 1.00 0.00 C ATOM 125 OH TYR A 227 -1.239 -19.208 4.680 1.00 0.00 O ATOM 0 HA TYR A 227 -2.904 -14.916 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.711 -13.696 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -2.414 -13.626 2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 227 0.418 -16.032 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -3.473 -15.445 3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 227 0.588 -18.179 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.289 -17.586 4.783 1.00 0.00 H new ATOM 0 HH TYR A 227 -2.056 -19.367 5.198 1.00 0.00 H new ATOM 135 N THR A 228 -3.523 -12.391 0.286 1.00 0.00 N ATOM 136 CA THR A 228 -3.908 -10.978 0.154 1.00 0.00 C ATOM 137 C THR A 228 -3.698 -10.287 1.518 1.00 0.00 C ATOM 138 O THR A 228 -3.932 -10.932 2.552 1.00 0.00 O ATOM 139 CB THR A 228 -5.403 -10.852 -0.300 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.258 -11.582 0.601 1.00 0.00 O ATOM 141 CG2 THR A 228 -5.603 -11.363 -1.744 1.00 0.00 C ATOM 0 H THR A 228 -4.272 -12.983 0.646 1.00 0.00 H new ATOM 0 HA THR A 228 -3.291 -10.497 -0.605 1.00 0.00 H new ATOM 0 HB THR A 228 -5.669 -9.795 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.190 -11.496 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 228 -6.651 -11.260 -2.024 1.00 0.00 H new ATOM 0 HG22 THR A 228 -4.986 -10.778 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.313 -12.412 -1.802 1.00 0.00 H new ATOM 149 N PRO A 229 -3.286 -8.965 1.553 1.00 0.00 N ATOM 150 CA PRO A 229 -2.955 -8.244 2.824 1.00 0.00 C ATOM 151 C PRO A 229 -4.143 -8.200 3.824 1.00 0.00 C ATOM 152 O PRO A 229 -3.941 -8.044 5.036 1.00 0.00 O ATOM 153 CB PRO A 229 -2.559 -6.822 2.333 1.00 0.00 C ATOM 154 CG PRO A 229 -3.210 -6.688 0.989 1.00 0.00 C ATOM 155 CD PRO A 229 -3.128 -8.061 0.368 1.00 0.00 C ATOM 0 HA PRO A 229 -2.165 -8.742 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -2.910 -6.053 3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.477 -6.715 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.245 -6.361 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.697 -5.948 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -3.914 -8.220 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.177 -8.220 -0.140 1.00 0.00 H new ATOM 163 N GLU A 230 -5.360 -8.364 3.276 1.00 0.00 N ATOM 164 CA GLU A 230 -6.621 -8.402 4.026 1.00 0.00 C ATOM 165 C GLU A 230 -6.597 -9.511 5.102 1.00 0.00 C ATOM 166 O GLU A 230 -6.949 -9.272 6.257 1.00 0.00 O ATOM 167 CB GLU A 230 -7.806 -8.648 3.035 1.00 0.00 C ATOM 168 CG GLU A 230 -7.842 -7.726 1.795 1.00 0.00 C ATOM 169 CD GLU A 230 -7.913 -6.234 2.159 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.031 -5.719 2.371 1.00 0.00 O ATOM 171 OE2 GLU A 230 -6.853 -5.585 2.260 1.00 0.00 O ATOM 0 H GLU A 230 -5.494 -8.477 2.271 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.753 -7.445 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -7.763 -9.683 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.742 -8.530 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -6.953 -7.905 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -8.704 -7.986 1.180 1.00 0.00 H new ATOM 178 N GLU A 231 -6.118 -10.700 4.695 1.00 0.00 N ATOM 179 CA GLU A 231 -6.150 -11.930 5.513 1.00 0.00 C ATOM 180 C GLU A 231 -5.134 -11.890 6.669 1.00 0.00 C ATOM 181 O GLU A 231 -5.397 -12.442 7.742 1.00 0.00 O ATOM 182 CB GLU A 231 -5.879 -13.152 4.608 1.00 0.00 C ATOM 183 CG GLU A 231 -6.855 -13.261 3.423 1.00 0.00 C ATOM 184 CD GLU A 231 -6.510 -14.416 2.479 1.00 0.00 C ATOM 185 OE1 GLU A 231 -5.468 -14.329 1.789 1.00 0.00 O ATOM 186 OE2 GLU A 231 -7.260 -15.409 2.412 1.00 0.00 O ATOM 0 H GLU A 231 -5.692 -10.837 3.778 1.00 0.00 H new ATOM 0 HA GLU A 231 -7.140 -12.008 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.860 -13.093 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.943 -14.060 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -7.868 -13.397 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.848 -12.325 2.864 1.00 0.00 H new ATOM 193 N ILE A 232 -3.975 -11.235 6.438 1.00 0.00 N ATOM 194 CA ILE A 232 -2.926 -11.099 7.471 1.00 0.00 C ATOM 195 C ILE A 232 -3.430 -10.140 8.561 1.00 0.00 C ATOM 196 O ILE A 232 -3.410 -10.464 9.750 1.00 0.00 O ATOM 197 CB ILE A 232 -1.516 -10.620 6.912 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.910 -11.650 5.881 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.500 -10.366 8.068 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.524 -11.627 4.498 1.00 0.00 C ATOM 0 H ILE A 232 -3.743 -10.794 5.548 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.746 -12.094 7.878 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.693 -9.680 6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.159 -11.458 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -1.019 -12.654 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.453 -10.040 7.650 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.889 -9.593 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.353 -11.287 8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -1.035 -12.372 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.588 -11.854 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.392 -10.639 4.058 1.00 0.00 H new ATOM 212 N GLU A 233 -3.934 -8.981 8.126 1.00 0.00 N ATOM 213 CA GLU A 233 -4.481 -7.947 9.021 1.00 0.00 C ATOM 214 C GLU A 233 -5.712 -8.481 9.806 1.00 0.00 C ATOM 215 O GLU A 233 -5.919 -8.134 10.977 1.00 0.00 O ATOM 216 CB GLU A 233 -4.860 -6.701 8.187 1.00 0.00 C ATOM 217 CG GLU A 233 -5.297 -5.479 9.018 1.00 0.00 C ATOM 218 CD GLU A 233 -5.748 -4.305 8.142 1.00 0.00 C ATOM 219 OE1 GLU A 233 -6.933 -4.267 7.759 1.00 0.00 O ATOM 220 OE2 GLU A 233 -4.919 -3.433 7.807 1.00 0.00 O ATOM 0 H GLU A 233 -3.976 -8.729 7.139 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.722 -7.673 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.006 -6.418 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.668 -6.968 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.112 -5.767 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.469 -5.159 9.651 1.00 0.00 H new ATOM 227 N LYS A 234 -6.501 -9.349 9.132 1.00 0.00 N ATOM 228 CA LYS A 234 -7.712 -9.976 9.696 1.00 0.00 C ATOM 229 C LYS A 234 -7.356 -11.004 10.774 1.00 0.00 C ATOM 230 O LYS A 234 -8.012 -11.061 11.815 1.00 0.00 O ATOM 231 CB LYS A 234 -8.532 -10.668 8.578 1.00 0.00 C ATOM 232 CG LYS A 234 -9.891 -11.272 9.028 1.00 0.00 C ATOM 233 CD LYS A 234 -10.899 -10.204 9.538 1.00 0.00 C ATOM 234 CE LYS A 234 -11.181 -9.093 8.505 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.541 -9.647 7.182 1.00 0.00 N ATOM 0 H LYS A 234 -6.310 -9.635 8.172 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.309 -9.186 10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.720 -9.943 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.925 -11.463 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.336 -11.811 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.713 -12.001 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.837 -10.694 9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.510 -9.753 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -11.991 -8.459 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.300 -8.458 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -11.821 -8.873 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -10.722 -10.146 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.334 -10.312 7.288 1.00 0.00 H new ATOM 249 N LEU A 235 -6.323 -11.821 10.510 1.00 0.00 N ATOM 250 CA LEU A 235 -5.889 -12.865 11.455 1.00 0.00 C ATOM 251 C LEU A 235 -5.347 -12.202 12.733 1.00 0.00 C ATOM 252 O LEU A 235 -5.580 -12.683 13.840 1.00 0.00 O ATOM 253 CB LEU A 235 -4.863 -13.860 10.782 1.00 0.00 C ATOM 254 CG LEU A 235 -3.343 -13.476 10.727 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.627 -13.793 12.050 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.621 -14.157 9.541 1.00 0.00 C ATOM 0 H LEU A 235 -5.773 -11.779 9.652 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.742 -13.480 11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.941 -14.814 11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -5.195 -14.029 9.758 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.299 -12.398 10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.577 -13.513 11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -3.093 -13.231 12.860 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.703 -14.860 12.258 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.571 -13.865 9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.697 -15.240 9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.086 -13.847 8.605 1.00 0.00 H new ATOM 268 N LYS A 236 -4.630 -11.083 12.540 1.00 0.00 N ATOM 269 CA LYS A 236 -4.034 -10.284 13.623 1.00 0.00 C ATOM 270 C LYS A 236 -5.111 -9.553 14.443 1.00 0.00 C ATOM 271 O LYS A 236 -4.945 -9.338 15.649 1.00 0.00 O ATOM 272 CB LYS A 236 -3.034 -9.287 12.998 1.00 0.00 C ATOM 273 CG LYS A 236 -1.767 -9.962 12.415 1.00 0.00 C ATOM 274 CD LYS A 236 -0.932 -9.014 11.533 1.00 0.00 C ATOM 275 CE LYS A 236 -0.407 -7.782 12.296 1.00 0.00 C ATOM 276 NZ LYS A 236 0.348 -6.868 11.419 1.00 0.00 N ATOM 0 H LYS A 236 -4.445 -10.702 11.612 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.512 -10.944 14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.536 -8.730 12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.734 -8.563 13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.147 -10.328 13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.063 -10.831 11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.087 -9.564 11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.540 -8.681 10.692 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.246 -7.247 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 236 0.233 -8.109 13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.683 -6.053 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 1.164 -7.370 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -0.269 -6.535 10.651 1.00 0.00 H new ATOM 290 N GLU A 237 -6.204 -9.177 13.761 1.00 0.00 N ATOM 291 CA GLU A 237 -7.404 -8.609 14.395 1.00 0.00 C ATOM 292 C GLU A 237 -8.033 -9.648 15.347 1.00 0.00 C ATOM 293 O GLU A 237 -8.274 -9.367 16.524 1.00 0.00 O ATOM 294 CB GLU A 237 -8.404 -8.170 13.285 1.00 0.00 C ATOM 295 CG GLU A 237 -9.768 -7.646 13.776 1.00 0.00 C ATOM 296 CD GLU A 237 -9.680 -6.442 14.728 1.00 0.00 C ATOM 297 OE1 GLU A 237 -9.028 -5.438 14.365 1.00 0.00 O ATOM 298 OE2 GLU A 237 -10.280 -6.483 15.826 1.00 0.00 O ATOM 0 H GLU A 237 -6.280 -9.259 12.747 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.140 -7.733 14.988 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -7.932 -7.392 12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.579 -9.019 12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.369 -7.366 12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.294 -8.456 14.281 1.00 0.00 H new ATOM 305 N LEU A 238 -8.242 -10.862 14.814 1.00 0.00 N ATOM 306 CA LEU A 238 -8.787 -12.017 15.558 1.00 0.00 C ATOM 307 C LEU A 238 -7.818 -12.494 16.667 1.00 0.00 C ATOM 308 O LEU A 238 -8.253 -13.069 17.664 1.00 0.00 O ATOM 309 CB LEU A 238 -9.134 -13.189 14.577 1.00 0.00 C ATOM 310 CG LEU A 238 -10.531 -13.133 13.860 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.795 -11.787 13.143 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.685 -14.328 12.879 1.00 0.00 C ATOM 0 H LEU A 238 -8.035 -11.076 13.838 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.705 -11.691 16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.361 -13.227 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -9.077 -14.124 15.134 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.288 -13.212 14.640 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.776 -11.814 12.668 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.766 -10.976 13.870 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.029 -11.622 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.658 -14.275 12.390 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.898 -14.284 12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.607 -15.264 13.431 1.00 0.00 H new ATOM 324 N ARG A 239 -6.513 -12.252 16.469 1.00 0.00 N ATOM 325 CA ARG A 239 -5.453 -12.672 17.410 1.00 0.00 C ATOM 326 C ARG A 239 -5.493 -11.836 18.700 1.00 0.00 C ATOM 327 O ARG A 239 -5.339 -12.362 19.804 1.00 0.00 O ATOM 328 CB ARG A 239 -4.068 -12.542 16.732 1.00 0.00 C ATOM 329 CG ARG A 239 -2.912 -13.226 17.495 1.00 0.00 C ATOM 330 CD ARG A 239 -1.523 -12.835 16.966 1.00 0.00 C ATOM 331 NE ARG A 239 -1.228 -11.414 17.226 1.00 0.00 N ATOM 332 CZ ARG A 239 -0.516 -10.951 18.266 1.00 0.00 C ATOM 333 NH1 ARG A 239 0.025 -11.779 19.151 1.00 0.00 N ATOM 334 NH2 ARG A 239 -0.342 -9.655 18.414 1.00 0.00 N ATOM 0 H ARG A 239 -6.158 -11.758 15.650 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.627 -13.714 17.679 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -4.127 -12.968 15.730 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.833 -11.484 16.615 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -2.978 -12.965 18.551 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -3.029 -14.307 17.426 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -0.764 -13.458 17.438 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.473 -13.028 15.894 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.593 -10.729 16.564 1.00 0.00 H new ATOM 0 HH11 ARG A 239 -0.097 -12.786 19.048 1.00 0.00 H new ATOM 0 HH12 ARG A 239 0.563 -11.408 19.934 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -0.747 -9.006 17.740 1.00 0.00 H new ATOM 0 HH22 ARG A 239 0.198 -9.300 19.203 1.00 0.00 H new ATOM 348 N ILE A 240 -5.682 -10.520 18.541 1.00 0.00 N ATOM 349 CA ILE A 240 -5.763 -9.584 19.679 1.00 0.00 C ATOM 350 C ILE A 240 -7.163 -9.656 20.344 1.00 0.00 C ATOM 351 O ILE A 240 -7.286 -9.532 21.570 1.00 0.00 O ATOM 352 CB ILE A 240 -5.439 -8.108 19.224 1.00 0.00 C ATOM 353 CG1 ILE A 240 -4.024 -8.030 18.553 1.00 0.00 C ATOM 354 CG2 ILE A 240 -5.537 -7.102 20.408 1.00 0.00 C ATOM 355 CD1 ILE A 240 -3.640 -6.652 18.022 1.00 0.00 C ATOM 0 H ILE A 240 -5.783 -10.073 17.630 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.015 -9.881 20.414 1.00 0.00 H new ATOM 0 HB ILE A 240 -6.191 -7.824 18.488 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -3.275 -8.345 19.280 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -3.989 -8.743 17.730 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -5.307 -6.098 20.052 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -6.547 -7.119 20.817 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -4.826 -7.384 21.185 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -2.646 -6.698 17.577 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -4.362 -6.339 17.268 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -3.637 -5.934 18.842 1.00 0.00 H new ATOM 367 N LYS A 241 -8.201 -9.892 19.521 1.00 0.00 N ATOM 368 CA LYS A 241 -9.612 -9.864 19.962 1.00 0.00 C ATOM 369 C LYS A 241 -9.990 -11.150 20.729 1.00 0.00 C ATOM 370 O LYS A 241 -10.528 -11.082 21.835 1.00 0.00 O ATOM 371 CB LYS A 241 -10.545 -9.673 18.732 1.00 0.00 C ATOM 372 CG LYS A 241 -12.034 -9.394 19.070 1.00 0.00 C ATOM 373 CD LYS A 241 -12.246 -8.063 19.850 1.00 0.00 C ATOM 374 CE LYS A 241 -11.729 -6.818 19.096 1.00 0.00 C ATOM 375 NZ LYS A 241 -12.390 -6.644 17.783 1.00 0.00 N ATOM 0 H LYS A 241 -8.087 -10.108 18.531 1.00 0.00 H new ATOM 0 HA LYS A 241 -9.739 -9.024 20.645 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.164 -8.847 18.132 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.491 -10.568 18.113 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.610 -9.362 18.145 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.427 -10.221 19.661 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -13.309 -7.938 20.057 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -11.740 -8.131 20.813 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -11.897 -5.930 19.706 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -10.652 -6.905 18.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -11.682 -6.723 17.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -13.114 -7.380 17.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -12.838 -5.707 17.742 1.00 0.00 H new ATOM 389 N HIS A 242 -9.702 -12.314 20.127 1.00 0.00 N ATOM 390 CA HIS A 242 -10.087 -13.631 20.681 1.00 0.00 C ATOM 391 C HIS A 242 -8.942 -14.211 21.524 1.00 0.00 C ATOM 392 O HIS A 242 -9.132 -14.562 22.695 1.00 0.00 O ATOM 393 CB HIS A 242 -10.460 -14.621 19.541 1.00 0.00 C ATOM 394 CG HIS A 242 -11.607 -14.168 18.671 1.00 0.00 C ATOM 395 ND1 HIS A 242 -12.883 -14.673 18.782 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.660 -13.254 17.672 1.00 0.00 C ATOM 397 CE1 HIS A 242 -13.665 -14.096 17.893 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.943 -13.233 17.209 1.00 0.00 N ATOM 0 H HIS A 242 -9.196 -12.374 19.243 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.960 -13.489 21.318 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -9.584 -14.779 18.912 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -10.713 -15.585 19.982 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.839 -12.654 17.310 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -14.717 -14.296 17.750 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.288 -12.642 16.453 1.00 0.00 H new ATOM 407 N GLY A 243 -7.747 -14.251 20.919 1.00 0.00 N ATOM 408 CA GLY A 243 -6.568 -14.885 21.516 1.00 0.00 C ATOM 409 C GLY A 243 -5.640 -15.436 20.444 1.00 0.00 C ATOM 410 O GLY A 243 -5.974 -15.375 19.258 1.00 0.00 O ATOM 0 H GLY A 243 -7.572 -13.843 20.000 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -6.032 -14.159 22.128 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -6.882 -15.691 22.179 1.00 0.00 H new ATOM 414 N ASN A 244 -4.481 -15.992 20.844 1.00 0.00 N ATOM 415 CA ASN A 244 -3.479 -16.551 19.897 1.00 0.00 C ATOM 416 C ASN A 244 -3.838 -18.007 19.498 1.00 0.00 C ATOM 417 O ASN A 244 -2.959 -18.873 19.378 1.00 0.00 O ATOM 418 CB ASN A 244 -2.061 -16.475 20.524 1.00 0.00 C ATOM 419 CG ASN A 244 -1.578 -15.045 20.781 1.00 0.00 C ATOM 420 OD1 ASN A 244 -0.938 -14.431 19.933 1.00 0.00 O ATOM 421 ND2 ASN A 244 -1.887 -14.501 21.946 1.00 0.00 N ATOM 0 H ASN A 244 -4.208 -16.070 21.824 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.489 -15.953 18.985 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -2.060 -17.024 21.465 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.353 -16.975 19.862 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.592 -13.548 22.158 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -2.420 -15.035 22.633 1.00 0.00 H new ATOM 428 N ASP A 245 -5.138 -18.247 19.245 1.00 0.00 N ATOM 429 CA ASP A 245 -5.672 -19.561 18.871 1.00 0.00 C ATOM 430 C ASP A 245 -5.625 -19.700 17.348 1.00 0.00 C ATOM 431 O ASP A 245 -6.627 -19.474 16.670 1.00 0.00 O ATOM 432 CB ASP A 245 -7.128 -19.720 19.401 1.00 0.00 C ATOM 433 CG ASP A 245 -7.226 -19.531 20.919 1.00 0.00 C ATOM 434 OD1 ASP A 245 -7.008 -20.509 21.663 1.00 0.00 O ATOM 435 OD2 ASP A 245 -7.492 -18.399 21.375 1.00 0.00 O ATOM 0 H ASP A 245 -5.853 -17.521 19.296 1.00 0.00 H new ATOM 0 HA ASP A 245 -5.067 -20.349 19.320 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -7.772 -18.994 18.906 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -7.501 -20.710 19.137 1.00 0.00 H new ATOM 440 N TRP A 246 -4.440 -20.052 16.822 1.00 0.00 N ATOM 441 CA TRP A 246 -4.179 -20.129 15.365 1.00 0.00 C ATOM 442 C TRP A 246 -5.094 -21.154 14.677 1.00 0.00 C ATOM 443 O TRP A 246 -5.370 -21.037 13.485 1.00 0.00 O ATOM 444 CB TRP A 246 -2.700 -20.489 15.106 1.00 0.00 C ATOM 445 CG TRP A 246 -1.737 -19.586 15.834 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.081 -19.851 17.001 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.358 -18.257 15.460 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.305 -18.782 17.359 1.00 0.00 N ATOM 449 CE2 TRP A 246 -0.456 -17.793 16.430 1.00 0.00 C ATOM 450 CE3 TRP A 246 -1.680 -17.422 14.389 1.00 0.00 C ATOM 451 CZ2 TRP A 246 0.118 -16.533 16.367 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.107 -16.172 14.328 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.216 -15.737 15.311 1.00 0.00 C ATOM 0 H TRP A 246 -3.630 -20.293 17.393 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.394 -19.149 14.940 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -2.524 -21.520 15.412 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.501 -20.436 14.036 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.162 -20.771 17.561 1.00 0.00 H new ATOM 0 HE1 TRP A 246 0.290 -18.732 18.186 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.366 -17.751 13.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.806 -16.193 17.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.351 -15.516 13.505 1.00 0.00 H new ATOM 0 HH2 TRP A 246 0.217 -14.751 15.234 1.00 0.00 H new ATOM 464 N ALA A 247 -5.527 -22.170 15.450 1.00 0.00 N ATOM 465 CA ALA A 247 -6.488 -23.194 15.000 1.00 0.00 C ATOM 466 C ALA A 247 -7.836 -22.553 14.631 1.00 0.00 C ATOM 467 O ALA A 247 -8.371 -22.785 13.542 1.00 0.00 O ATOM 468 CB ALA A 247 -6.665 -24.261 16.094 1.00 0.00 C ATOM 0 H ALA A 247 -5.216 -22.303 16.412 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.096 -23.676 14.104 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.376 -25.015 15.756 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -5.705 -24.734 16.299 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.040 -23.791 17.003 1.00 0.00 H new ATOM 474 N THR A 248 -8.323 -21.703 15.547 1.00 0.00 N ATOM 475 CA THR A 248 -9.628 -21.029 15.444 1.00 0.00 C ATOM 476 C THR A 248 -9.598 -19.906 14.388 1.00 0.00 C ATOM 477 O THR A 248 -10.532 -19.754 13.589 1.00 0.00 O ATOM 478 CB THR A 248 -10.022 -20.434 16.834 1.00 0.00 C ATOM 479 OG1 THR A 248 -9.819 -21.423 17.850 1.00 0.00 O ATOM 480 CG2 THR A 248 -11.482 -19.961 16.880 1.00 0.00 C ATOM 0 H THR A 248 -7.813 -21.460 16.396 1.00 0.00 H new ATOM 0 HA THR A 248 -10.368 -21.766 15.133 1.00 0.00 H new ATOM 0 HB THR A 248 -9.387 -19.564 17.005 1.00 0.00 H new ATOM 0 HG1 THR A 248 -10.064 -21.051 18.723 1.00 0.00 H new ATOM 0 HG21 THR A 248 -11.703 -19.557 17.868 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.638 -19.187 16.128 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.144 -20.803 16.676 1.00 0.00 H new ATOM 488 N ILE A 249 -8.497 -19.135 14.413 1.00 0.00 N ATOM 489 CA ILE A 249 -8.282 -17.973 13.532 1.00 0.00 C ATOM 490 C ILE A 249 -8.074 -18.434 12.078 1.00 0.00 C ATOM 491 O ILE A 249 -8.729 -17.931 11.159 1.00 0.00 O ATOM 492 CB ILE A 249 -7.031 -17.146 14.010 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.225 -16.623 15.472 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.715 -15.972 13.049 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.975 -16.018 16.088 1.00 0.00 C ATOM 0 H ILE A 249 -7.721 -19.303 15.054 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.167 -17.338 13.581 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.177 -17.823 13.997 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -8.017 -15.874 15.476 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.563 -17.448 16.099 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.845 -15.427 13.415 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.506 -16.363 12.053 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.572 -15.299 13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.195 -15.680 17.101 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.185 -16.768 16.119 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.647 -15.170 15.486 1.00 0.00 H new ATOM 507 N GLY A 250 -7.138 -19.390 11.899 1.00 0.00 N ATOM 508 CA GLY A 250 -6.844 -19.984 10.593 1.00 0.00 C ATOM 509 C GLY A 250 -8.077 -20.621 9.973 1.00 0.00 C ATOM 510 O GLY A 250 -8.352 -20.422 8.787 1.00 0.00 O ATOM 0 H GLY A 250 -6.570 -19.766 12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.456 -19.216 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.063 -20.736 10.703 1.00 0.00 H new ATOM 514 N ALA A 251 -8.831 -21.368 10.805 1.00 0.00 N ATOM 515 CA ALA A 251 -10.106 -21.995 10.399 1.00 0.00 C ATOM 516 C ALA A 251 -11.142 -20.940 9.966 1.00 0.00 C ATOM 517 O ALA A 251 -11.857 -21.145 8.983 1.00 0.00 O ATOM 518 CB ALA A 251 -10.673 -22.850 11.536 1.00 0.00 C ATOM 0 H ALA A 251 -8.574 -21.553 11.775 1.00 0.00 H new ATOM 0 HA ALA A 251 -9.897 -22.636 9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -11.612 -23.303 11.217 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -9.960 -23.634 11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -10.851 -22.222 12.409 1.00 0.00 H new ATOM 524 N ALA A 252 -11.182 -19.809 10.700 1.00 0.00 N ATOM 525 CA ALA A 252 -12.130 -18.701 10.441 1.00 0.00 C ATOM 526 C ALA A 252 -11.856 -18.056 9.074 1.00 0.00 C ATOM 527 O ALA A 252 -12.785 -17.690 8.359 1.00 0.00 O ATOM 528 CB ALA A 252 -12.050 -17.651 11.558 1.00 0.00 C ATOM 0 H ALA A 252 -10.559 -19.636 11.489 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.139 -19.113 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.754 -16.845 11.350 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.301 -18.115 12.512 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.039 -17.247 11.606 1.00 0.00 H new ATOM 534 N LEU A 253 -10.561 -17.938 8.729 1.00 0.00 N ATOM 535 CA LEU A 253 -10.109 -17.424 7.416 1.00 0.00 C ATOM 536 C LEU A 253 -10.399 -18.441 6.298 1.00 0.00 C ATOM 537 O LEU A 253 -10.697 -18.061 5.163 1.00 0.00 O ATOM 538 CB LEU A 253 -8.585 -17.159 7.448 1.00 0.00 C ATOM 539 CG LEU A 253 -8.090 -16.134 8.510 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.560 -16.186 8.644 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.587 -14.699 8.190 1.00 0.00 C ATOM 0 H LEU A 253 -9.795 -18.196 9.351 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.652 -16.500 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -8.076 -18.107 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -8.277 -16.808 6.463 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.519 -16.413 9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.235 -15.462 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.256 -17.186 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -6.102 -15.947 7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.223 -14.010 8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -8.211 -14.393 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.677 -14.685 8.179 1.00 0.00 H new ATOM 553 N GLY A 254 -10.303 -19.735 6.655 1.00 0.00 N ATOM 554 CA GLY A 254 -10.320 -20.838 5.687 1.00 0.00 C ATOM 555 C GLY A 254 -8.910 -21.281 5.304 1.00 0.00 C ATOM 556 O GLY A 254 -8.742 -22.089 4.395 1.00 0.00 O ATOM 0 H GLY A 254 -10.212 -20.041 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.864 -21.683 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.859 -20.527 4.792 1.00 0.00 H new ATOM 560 N ARG A 255 -7.900 -20.732 6.009 1.00 0.00 N ATOM 561 CA ARG A 255 -6.473 -21.058 5.817 1.00 0.00 C ATOM 562 C ARG A 255 -6.035 -22.167 6.791 1.00 0.00 C ATOM 563 O ARG A 255 -6.821 -22.619 7.627 1.00 0.00 O ATOM 564 CB ARG A 255 -5.614 -19.768 6.030 1.00 0.00 C ATOM 565 CG ARG A 255 -5.878 -18.643 5.000 1.00 0.00 C ATOM 566 CD ARG A 255 -5.561 -19.096 3.568 1.00 0.00 C ATOM 567 NE ARG A 255 -5.745 -18.013 2.591 1.00 0.00 N ATOM 568 CZ ARG A 255 -5.283 -18.021 1.334 1.00 0.00 C ATOM 569 NH1 ARG A 255 -4.555 -19.022 0.877 1.00 0.00 N ATOM 570 NH2 ARG A 255 -5.537 -17.001 0.551 1.00 0.00 N ATOM 0 H ARG A 255 -8.056 -20.038 6.740 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.323 -21.425 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.806 -19.380 7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.559 -20.039 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.921 -18.332 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.271 -17.773 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -4.533 -19.455 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -6.204 -19.935 3.303 1.00 0.00 H new ATOM 0 HE ARG A 255 -6.266 -17.190 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -4.334 -19.811 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -4.214 -19.007 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -6.081 -16.212 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -5.190 -16.996 -0.408 1.00 0.00 H new ATOM 584 N SER A 256 -4.778 -22.623 6.646 1.00 0.00 N ATOM 585 CA SER A 256 -4.160 -23.574 7.581 1.00 0.00 C ATOM 586 C SER A 256 -3.616 -22.828 8.819 1.00 0.00 C ATOM 587 O SER A 256 -3.049 -21.730 8.697 1.00 0.00 O ATOM 588 CB SER A 256 -3.038 -24.359 6.876 1.00 0.00 C ATOM 589 OG SER A 256 -3.521 -25.052 5.739 1.00 0.00 O ATOM 0 H SER A 256 -4.166 -22.343 5.880 1.00 0.00 H new ATOM 0 HA SER A 256 -4.916 -24.284 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 256 -2.247 -23.673 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.596 -25.069 7.575 1.00 0.00 H new ATOM 0 HG SER A 256 -2.783 -25.538 5.314 1.00 0.00 H new ATOM 595 N ALA A 257 -3.819 -23.435 9.994 1.00 0.00 N ATOM 596 CA ALA A 257 -3.430 -22.865 11.291 1.00 0.00 C ATOM 597 C ALA A 257 -1.903 -22.708 11.412 1.00 0.00 C ATOM 598 O ALA A 257 -1.405 -21.683 11.905 1.00 0.00 O ATOM 599 CB ALA A 257 -3.962 -23.762 12.403 1.00 0.00 C ATOM 0 H ALA A 257 -4.264 -24.349 10.073 1.00 0.00 H new ATOM 0 HA ALA A 257 -3.861 -21.868 11.376 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.679 -23.348 13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.048 -23.819 12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.539 -24.761 12.298 1.00 0.00 H new ATOM 605 N SER A 258 -1.184 -23.742 10.949 1.00 0.00 N ATOM 606 CA SER A 258 0.285 -23.773 10.944 1.00 0.00 C ATOM 607 C SER A 258 0.849 -22.674 10.019 1.00 0.00 C ATOM 608 O SER A 258 1.870 -22.064 10.335 1.00 0.00 O ATOM 609 CB SER A 258 0.785 -25.175 10.512 1.00 0.00 C ATOM 610 OG SER A 258 2.205 -25.267 10.538 1.00 0.00 O ATOM 0 H SER A 258 -1.610 -24.586 10.565 1.00 0.00 H new ATOM 0 HA SER A 258 0.645 -23.575 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.361 -25.931 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.426 -25.394 9.506 1.00 0.00 H new ATOM 0 HG SER A 258 2.480 -26.166 10.261 1.00 0.00 H new ATOM 616 N SER A 259 0.160 -22.427 8.887 1.00 0.00 N ATOM 617 CA SER A 259 0.569 -21.408 7.905 1.00 0.00 C ATOM 618 C SER A 259 0.499 -19.985 8.498 1.00 0.00 C ATOM 619 O SER A 259 1.477 -19.244 8.421 1.00 0.00 O ATOM 620 CB SER A 259 -0.297 -21.518 6.640 1.00 0.00 C ATOM 621 OG SER A 259 -0.186 -22.804 6.057 1.00 0.00 O ATOM 0 H SER A 259 -0.691 -22.927 8.630 1.00 0.00 H new ATOM 0 HA SER A 259 1.609 -21.594 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.339 -21.317 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.009 -20.760 5.919 1.00 0.00 H new ATOM 0 HG SER A 259 -0.747 -22.849 5.255 1.00 0.00 H new ATOM 627 N VAL A 260 -0.648 -19.627 9.118 1.00 0.00 N ATOM 628 CA VAL A 260 -0.859 -18.278 9.693 1.00 0.00 C ATOM 629 C VAL A 260 0.074 -18.036 10.909 1.00 0.00 C ATOM 630 O VAL A 260 0.537 -16.905 11.139 1.00 0.00 O ATOM 631 CB VAL A 260 -2.374 -18.023 10.066 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.281 -18.113 8.803 1.00 0.00 C ATOM 633 CG2 VAL A 260 -2.892 -18.974 11.187 1.00 0.00 C ATOM 0 H VAL A 260 -1.444 -20.255 9.233 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.597 -17.554 8.922 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.427 -17.010 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.318 -17.934 9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -2.969 -17.363 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.192 -19.105 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -3.938 -18.751 11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -2.802 -20.009 10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.299 -18.828 12.090 1.00 0.00 H new ATOM 643 N LYS A 261 0.363 -19.129 11.650 1.00 0.00 N ATOM 644 CA LYS A 261 1.357 -19.135 12.746 1.00 0.00 C ATOM 645 C LYS A 261 2.753 -18.725 12.219 1.00 0.00 C ATOM 646 O LYS A 261 3.379 -17.796 12.748 1.00 0.00 O ATOM 647 CB LYS A 261 1.397 -20.547 13.409 1.00 0.00 C ATOM 648 CG LYS A 261 2.523 -20.790 14.448 1.00 0.00 C ATOM 649 CD LYS A 261 2.484 -19.819 15.648 1.00 0.00 C ATOM 650 CE LYS A 261 3.540 -20.157 16.714 1.00 0.00 C ATOM 651 NZ LYS A 261 3.334 -21.511 17.296 1.00 0.00 N ATOM 0 H LYS A 261 -0.087 -20.033 11.505 1.00 0.00 H new ATOM 0 HA LYS A 261 1.063 -18.405 13.500 1.00 0.00 H new ATOM 0 HB2 LYS A 261 0.438 -20.722 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.494 -21.292 12.620 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.449 -21.813 14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.489 -20.700 13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.644 -18.801 15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.493 -19.846 16.101 1.00 0.00 H new ATOM 0 HE2 LYS A 261 4.534 -20.101 16.270 1.00 0.00 H new ATOM 0 HE3 LYS A 261 3.504 -19.412 17.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 3.930 -21.620 18.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 2.335 -21.627 17.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 3.593 -22.234 16.594 1.00 0.00 H new ATOM 665 N ASP A 262 3.207 -19.423 11.159 1.00 0.00 N ATOM 666 CA ASP A 262 4.518 -19.178 10.508 1.00 0.00 C ATOM 667 C ASP A 262 4.580 -17.790 9.835 1.00 0.00 C ATOM 668 O ASP A 262 5.654 -17.186 9.775 1.00 0.00 O ATOM 669 CB ASP A 262 4.839 -20.303 9.475 1.00 0.00 C ATOM 670 CG ASP A 262 5.414 -21.579 10.127 1.00 0.00 C ATOM 671 OD1 ASP A 262 4.661 -22.328 10.784 1.00 0.00 O ATOM 672 OD2 ASP A 262 6.634 -21.819 10.008 1.00 0.00 O ATOM 0 H ASP A 262 2.675 -20.177 10.725 1.00 0.00 H new ATOM 0 HA ASP A 262 5.276 -19.194 11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 262 3.930 -20.559 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 262 5.552 -19.923 8.743 1.00 0.00 H new ATOM 677 N ARG A 263 3.427 -17.305 9.333 1.00 0.00 N ATOM 678 CA ARG A 263 3.323 -15.996 8.651 1.00 0.00 C ATOM 679 C ARG A 263 3.578 -14.839 9.635 1.00 0.00 C ATOM 680 O ARG A 263 4.316 -13.899 9.313 1.00 0.00 O ATOM 681 CB ARG A 263 1.936 -15.836 7.931 1.00 0.00 C ATOM 682 CG ARG A 263 1.799 -16.643 6.612 1.00 0.00 C ATOM 683 CD ARG A 263 2.841 -16.198 5.575 1.00 0.00 C ATOM 684 NE ARG A 263 2.835 -17.033 4.354 1.00 0.00 N ATOM 685 CZ ARG A 263 3.652 -16.856 3.302 1.00 0.00 C ATOM 686 NH1 ARG A 263 4.552 -15.882 3.293 1.00 0.00 N ATOM 687 NH2 ARG A 263 3.579 -17.686 2.272 1.00 0.00 N ATOM 0 H ARG A 263 2.541 -17.808 9.388 1.00 0.00 H new ATOM 0 HA ARG A 263 4.097 -15.958 7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.147 -16.147 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.773 -14.780 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.920 -17.706 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 263 0.797 -16.510 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.651 -15.160 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.832 -16.232 6.027 1.00 0.00 H new ATOM 0 HE ARG A 263 2.162 -17.798 4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.632 -15.254 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 263 5.165 -15.761 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 263 2.906 -18.453 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 263 4.196 -17.558 1.470 1.00 0.00 H new ATOM 701 N CYS A 264 2.974 -14.926 10.830 1.00 0.00 N ATOM 702 CA CYS A 264 3.147 -13.912 11.890 1.00 0.00 C ATOM 703 C CYS A 264 4.521 -14.024 12.563 1.00 0.00 C ATOM 704 O CYS A 264 5.090 -13.014 13.009 1.00 0.00 O ATOM 705 CB CYS A 264 2.035 -14.052 12.919 1.00 0.00 C ATOM 706 SG CYS A 264 0.410 -13.881 12.185 1.00 0.00 S ATOM 0 H CYS A 264 2.356 -15.694 11.091 1.00 0.00 H new ATOM 0 HA CYS A 264 3.092 -12.926 11.430 1.00 0.00 H new ATOM 0 HB2 CYS A 264 2.112 -15.025 13.405 1.00 0.00 H new ATOM 0 HB3 CYS A 264 2.163 -13.297 13.695 1.00 0.00 H new ATOM 0 HG CYS A 264 0.075 -14.997 11.609 1.00 0.00 H new ATOM 712 N ARG A 265 5.041 -15.258 12.639 1.00 0.00 N ATOM 713 CA ARG A 265 6.380 -15.523 13.178 1.00 0.00 C ATOM 714 C ARG A 265 7.458 -14.927 12.244 1.00 0.00 C ATOM 715 O ARG A 265 8.470 -14.412 12.710 1.00 0.00 O ATOM 716 CB ARG A 265 6.582 -17.045 13.365 1.00 0.00 C ATOM 717 CG ARG A 265 7.899 -17.439 14.070 1.00 0.00 C ATOM 718 CD ARG A 265 8.070 -18.963 14.209 1.00 0.00 C ATOM 719 NE ARG A 265 8.077 -19.648 12.900 1.00 0.00 N ATOM 720 CZ ARG A 265 9.141 -19.774 12.091 1.00 0.00 C ATOM 721 NH1 ARG A 265 10.322 -19.273 12.424 1.00 0.00 N ATOM 722 NH2 ARG A 265 9.010 -20.404 10.943 1.00 0.00 N ATOM 0 H ARG A 265 4.547 -16.095 12.330 1.00 0.00 H new ATOM 0 HA ARG A 265 6.477 -15.044 14.152 1.00 0.00 H new ATOM 0 HB2 ARG A 265 5.745 -17.441 13.940 1.00 0.00 H new ATOM 0 HB3 ARG A 265 6.552 -17.525 12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 265 8.741 -17.033 13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 265 7.926 -16.983 15.060 1.00 0.00 H new ATOM 0 HD2 ARG A 265 9.002 -19.176 14.733 1.00 0.00 H new ATOM 0 HD3 ARG A 265 7.262 -19.363 14.821 1.00 0.00 H new ATOM 0 HE ARG A 265 7.199 -20.060 12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 265 10.436 -18.780 13.310 1.00 0.00 H new ATOM 0 HH12 ARG A 265 11.117 -19.380 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 265 8.106 -20.792 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 265 9.813 -20.505 10.322 1.00 0.00 H new