USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 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 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 280 MET CE :methyl -106:sc= -1.05 (180deg=-3.45!) USER MOD Single : A 285 SER OG : rot -47:sc= 0.223 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ -146:sc= -0.568 (180deg=-2.83!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 3.300 3.298 -2.103 1.00 0.00 N ATOM 161 CA ILE A 276 2.044 2.501 -2.174 1.00 0.00 C ATOM 162 C ILE A 276 1.159 2.799 -0.960 1.00 0.00 C ATOM 163 O ILE A 276 -0.027 3.032 -1.086 1.00 0.00 O ATOM 164 CB ILE A 276 2.502 1.042 -2.158 1.00 0.00 C ATOM 165 CG1 ILE A 276 3.242 0.726 -3.460 1.00 0.00 C ATOM 166 CG2 ILE A 276 1.284 0.126 -2.031 1.00 0.00 C ATOM 167 CD1 ILE A 276 3.985 -0.603 -3.314 1.00 0.00 C ATOM 0 HA ILE A 276 1.455 2.735 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 276 3.169 0.880 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 276 2.536 0.671 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 276 3.946 1.525 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 276 1.610 -0.914 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.755 0.350 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.617 0.288 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 276 4.512 -0.829 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 276 4.703 -0.531 -2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 276 3.270 -1.398 -3.100 1.00 0.00 H new ATOM 179 N ARG A 277 1.728 2.794 0.215 1.00 0.00 N ATOM 180 CA ARG A 277 0.921 3.077 1.436 1.00 0.00 C ATOM 181 C ARG A 277 -0.022 4.256 1.185 1.00 0.00 C ATOM 182 O ARG A 277 -1.229 4.111 1.193 1.00 0.00 O ATOM 183 CB ARG A 277 1.945 3.433 2.514 1.00 0.00 C ATOM 184 CG ARG A 277 1.774 2.496 3.711 1.00 0.00 C ATOM 185 CD ARG A 277 1.708 3.320 4.999 1.00 0.00 C ATOM 186 NE ARG A 277 0.341 3.081 5.540 1.00 0.00 N ATOM 187 CZ ARG A 277 -0.065 3.719 6.606 1.00 0.00 C ATOM 188 NH1 ARG A 277 0.726 4.570 7.203 1.00 0.00 N ATOM 189 NH2 ARG A 277 -1.264 3.506 7.075 1.00 0.00 N ATOM 0 H ARG A 277 2.717 2.606 0.382 1.00 0.00 H new ATOM 0 HA ARG A 277 0.301 2.229 1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.955 3.347 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.813 4.469 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 277 0.865 1.906 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 277 2.606 1.794 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 277 2.474 3.006 5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 277 1.874 4.379 4.799 1.00 0.00 H new ATOM 0 HE ARG A 277 -0.280 2.417 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 277 1.663 4.738 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 277 0.406 5.066 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -1.883 2.842 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -1.582 4.003 7.907 1.00 0.00 H new ATOM 203 N LYS A 278 0.519 5.423 0.967 1.00 0.00 N ATOM 204 CA LYS A 278 -0.344 6.611 0.718 1.00 0.00 C ATOM 205 C LYS A 278 -1.502 6.243 -0.213 1.00 0.00 C ATOM 206 O LYS A 278 -2.657 6.351 0.145 1.00 0.00 O ATOM 207 CB LYS A 278 0.574 7.637 0.055 1.00 0.00 C ATOM 208 CG LYS A 278 0.542 8.942 0.853 1.00 0.00 C ATOM 209 CD LYS A 278 1.960 9.502 0.973 1.00 0.00 C ATOM 210 CE LYS A 278 2.014 10.513 2.121 1.00 0.00 C ATOM 211 NZ LYS A 278 3.387 11.088 2.062 1.00 0.00 N ATOM 0 H LYS A 278 1.523 5.605 0.951 1.00 0.00 H new ATOM 0 HA LYS A 278 -0.789 6.996 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 278 1.593 7.252 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 278 0.254 7.818 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.106 9.666 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.125 8.764 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 278 2.668 8.693 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 278 2.254 9.980 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 278 1.256 11.287 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 278 1.829 10.031 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 3.502 11.791 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 4.087 10.329 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 3.532 11.546 1.140 1.00 0.00 H new ATOM 225 N GLN A 279 -1.200 5.809 -1.407 1.00 0.00 N ATOM 226 CA GLN A 279 -2.281 5.434 -2.360 1.00 0.00 C ATOM 227 C GLN A 279 -3.377 4.648 -1.637 1.00 0.00 C ATOM 228 O GLN A 279 -4.537 5.009 -1.668 1.00 0.00 O ATOM 229 CB GLN A 279 -1.598 4.559 -3.411 1.00 0.00 C ATOM 230 CG GLN A 279 -2.430 4.558 -4.695 1.00 0.00 C ATOM 231 CD GLN A 279 -1.988 3.399 -5.590 1.00 0.00 C ATOM 232 OE1 GLN A 279 -1.570 2.367 -5.104 1.00 0.00 O ATOM 233 NE2 GLN A 279 -2.063 3.527 -6.886 1.00 0.00 N ATOM 0 H GLN A 279 -0.250 5.698 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 279 -2.759 6.307 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.595 4.934 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -1.488 3.541 -3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -3.489 4.462 -4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -2.307 5.505 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -2.414 4.394 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -1.771 2.760 -7.492 1.00 0.00 H new ATOM 242 N MET A 280 -3.019 3.577 -0.984 1.00 0.00 N ATOM 243 CA MET A 280 -4.040 2.769 -0.258 1.00 0.00 C ATOM 244 C MET A 280 -4.873 3.670 0.656 1.00 0.00 C ATOM 245 O MET A 280 -6.081 3.728 0.551 1.00 0.00 O ATOM 246 CB MET A 280 -3.237 1.765 0.567 1.00 0.00 C ATOM 247 CG MET A 280 -2.787 0.611 -0.329 1.00 0.00 C ATOM 248 SD MET A 280 -1.393 -0.246 0.444 1.00 0.00 S ATOM 249 CE MET A 280 -2.363 -1.390 1.455 1.00 0.00 C ATOM 0 H MET A 280 -2.063 3.226 -0.922 1.00 0.00 H new ATOM 0 HA MET A 280 -4.735 2.275 -0.937 1.00 0.00 H new ATOM 0 HB2 MET A 280 -2.370 2.254 1.011 1.00 0.00 H new ATOM 0 HB3 MET A 280 -3.844 1.386 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 280 -3.612 -0.084 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 280 -2.497 0.990 -1.309 1.00 0.00 H new ATOM 0 HE1 MET A 280 -2.325 -1.076 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 280 -3.398 -1.389 1.114 1.00 0.00 H new ATOM 0 HE3 MET A 280 -1.952 -2.395 1.363 1.00 0.00 H new ATOM 259 N ASP A 281 -4.234 4.375 1.550 1.00 0.00 N ATOM 260 CA ASP A 281 -4.988 5.275 2.468 1.00 0.00 C ATOM 261 C ASP A 281 -6.073 6.024 1.692 1.00 0.00 C ATOM 262 O ASP A 281 -7.231 6.019 2.059 1.00 0.00 O ATOM 263 CB ASP A 281 -3.942 6.250 3.010 1.00 0.00 C ATOM 264 CG ASP A 281 -4.280 6.610 4.458 1.00 0.00 C ATOM 265 OD1 ASP A 281 -5.430 6.921 4.717 1.00 0.00 O ATOM 266 OD2 ASP A 281 -3.382 6.568 5.283 1.00 0.00 O ATOM 0 H ASP A 281 -3.223 4.366 1.684 1.00 0.00 H new ATOM 0 HA ASP A 281 -5.489 4.730 3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -2.950 5.801 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -3.917 7.151 2.397 1.00 0.00 H new ATOM 271 N ALA A 282 -5.705 6.668 0.619 1.00 0.00 N ATOM 272 CA ALA A 282 -6.707 7.416 -0.184 1.00 0.00 C ATOM 273 C ALA A 282 -7.846 6.485 -0.610 1.00 0.00 C ATOM 274 O ALA A 282 -8.944 6.556 -0.095 1.00 0.00 O ATOM 275 CB ALA A 282 -5.939 7.920 -1.406 1.00 0.00 C ATOM 0 H ALA A 282 -4.749 6.707 0.264 1.00 0.00 H new ATOM 0 HA ALA A 282 -7.160 8.233 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -6.612 8.485 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -5.122 8.564 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -5.535 7.071 -1.957 1.00 0.00 H new ATOM 281 N ALA A 283 -7.594 5.613 -1.549 1.00 0.00 N ATOM 282 CA ALA A 283 -8.664 4.680 -2.010 1.00 0.00 C ATOM 283 C ALA A 283 -9.332 4.004 -0.811 1.00 0.00 C ATOM 284 O ALA A 283 -10.456 3.547 -0.891 1.00 0.00 O ATOM 285 CB ALA A 283 -7.943 3.647 -2.876 1.00 0.00 C ATOM 0 H ALA A 283 -6.694 5.506 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 283 -9.451 5.195 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -8.664 2.923 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -7.459 4.149 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -7.191 3.132 -2.278 1.00 0.00 H new ATOM 291 N ALA A 284 -8.652 3.935 0.300 1.00 0.00 N ATOM 292 CA ALA A 284 -9.253 3.287 1.501 1.00 0.00 C ATOM 293 C ALA A 284 -10.452 4.099 1.997 1.00 0.00 C ATOM 294 O ALA A 284 -11.591 3.770 1.730 1.00 0.00 O ATOM 295 CB ALA A 284 -8.140 3.281 2.548 1.00 0.00 C ATOM 0 H ALA A 284 -7.708 4.298 0.429 1.00 0.00 H new ATOM 0 HA ALA A 284 -9.617 2.282 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -8.505 2.818 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -7.288 2.715 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -7.831 4.305 2.757 1.00 0.00 H new ATOM 301 N SER A 285 -10.205 5.157 2.720 1.00 0.00 N ATOM 302 CA SER A 285 -11.328 5.987 3.237 1.00 0.00 C ATOM 303 C SER A 285 -11.764 7.012 2.185 1.00 0.00 C ATOM 304 O SER A 285 -12.051 8.151 2.497 1.00 0.00 O ATOM 305 CB SER A 285 -10.765 6.691 4.469 1.00 0.00 C ATOM 306 OG SER A 285 -11.827 7.303 5.188 1.00 0.00 O ATOM 0 H SER A 285 -9.272 5.482 2.975 1.00 0.00 H new ATOM 0 HA SER A 285 -12.206 5.387 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 285 -10.245 5.975 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 285 -10.033 7.441 4.170 1.00 0.00 H new ATOM 0 HG SER A 285 -12.405 7.792 4.565 1.00 0.00 H new ATOM 312 N LYS A 286 -11.815 6.620 0.941 1.00 0.00 N ATOM 313 CA LYS A 286 -12.231 7.575 -0.123 1.00 0.00 C ATOM 314 C LYS A 286 -13.485 7.063 -0.836 1.00 0.00 C ATOM 315 O LYS A 286 -14.015 7.709 -1.718 1.00 0.00 O ATOM 316 CB LYS A 286 -11.049 7.633 -1.091 1.00 0.00 C ATOM 317 CG LYS A 286 -11.498 8.264 -2.411 1.00 0.00 C ATOM 318 CD LYS A 286 -10.290 8.437 -3.333 1.00 0.00 C ATOM 319 CE LYS A 286 -10.147 9.912 -3.716 1.00 0.00 C ATOM 320 NZ LYS A 286 -9.502 9.902 -5.059 1.00 0.00 N ATOM 0 H LYS A 286 -11.587 5.680 0.617 1.00 0.00 H new ATOM 0 HA LYS A 286 -12.475 8.558 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -10.237 8.215 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -10.662 6.630 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -12.247 7.634 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -11.966 9.230 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -9.385 8.091 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -10.413 7.828 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -11.118 10.407 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -9.538 10.451 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -9.371 10.880 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -8.577 9.431 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -10.107 9.388 -5.731 1.00 0.00 H new ATOM 334 N GLY A 287 -13.960 5.908 -0.464 1.00 0.00 N ATOM 335 CA GLY A 287 -15.176 5.357 -1.126 1.00 0.00 C ATOM 336 C GLY A 287 -14.765 4.232 -2.075 1.00 0.00 C ATOM 337 O GLY A 287 -15.351 3.168 -2.085 1.00 0.00 O ATOM 0 H GLY A 287 -13.560 5.322 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.873 4.981 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.693 6.143 -1.677 1.00 0.00 H new ATOM 341 N ASP A 288 -13.754 4.456 -2.870 1.00 0.00 N ATOM 342 CA ASP A 288 -13.299 3.398 -3.813 1.00 0.00 C ATOM 343 C ASP A 288 -12.439 2.377 -3.065 1.00 0.00 C ATOM 344 O ASP A 288 -11.318 2.097 -3.440 1.00 0.00 O ATOM 345 CB ASP A 288 -12.470 4.132 -4.867 1.00 0.00 C ATOM 346 CG ASP A 288 -13.095 3.923 -6.247 1.00 0.00 C ATOM 347 OD1 ASP A 288 -14.131 4.514 -6.502 1.00 0.00 O ATOM 348 OD2 ASP A 288 -12.527 3.174 -7.026 1.00 0.00 O ATOM 0 H ASP A 288 -13.224 5.327 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 288 -14.129 2.854 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -12.426 5.196 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -11.445 3.762 -4.861 1.00 0.00 H new ATOM 353 N VAL A 289 -12.959 1.826 -2.003 1.00 0.00 N ATOM 354 CA VAL A 289 -12.178 0.827 -1.219 1.00 0.00 C ATOM 355 C VAL A 289 -11.812 -0.374 -2.095 1.00 0.00 C ATOM 356 O VAL A 289 -10.989 -1.189 -1.730 1.00 0.00 O ATOM 357 CB VAL A 289 -13.111 0.403 -0.085 1.00 0.00 C ATOM 358 CG1 VAL A 289 -12.323 -0.398 0.952 1.00 0.00 C ATOM 359 CG2 VAL A 289 -13.703 1.650 0.578 1.00 0.00 C ATOM 0 H VAL A 289 -13.893 2.025 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 289 -11.240 1.238 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 289 -13.915 -0.214 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -12.988 -0.700 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -11.898 -1.284 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -11.520 0.219 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -14.369 1.350 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -12.898 2.265 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -14.264 2.223 -0.160 1.00 0.00 H new ATOM 369 N GLU A 290 -12.414 -0.489 -3.248 1.00 0.00 N ATOM 370 CA GLU A 290 -12.097 -1.634 -4.144 1.00 0.00 C ATOM 371 C GLU A 290 -10.587 -1.879 -4.167 1.00 0.00 C ATOM 372 O GLU A 290 -10.096 -2.849 -3.626 1.00 0.00 O ATOM 373 CB GLU A 290 -12.593 -1.201 -5.523 1.00 0.00 C ATOM 374 CG GLU A 290 -12.621 -2.409 -6.462 1.00 0.00 C ATOM 375 CD GLU A 290 -13.563 -3.473 -5.897 1.00 0.00 C ATOM 376 OE1 GLU A 290 -14.631 -3.105 -5.435 1.00 0.00 O ATOM 377 OE2 GLU A 290 -13.201 -4.637 -5.935 1.00 0.00 O ATOM 0 H GLU A 290 -13.112 0.162 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 290 -12.564 -2.562 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -13.590 -0.767 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -11.941 -0.428 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -12.953 -2.104 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -11.617 -2.819 -6.574 1.00 0.00 H new ATOM 384 N THR A 291 -9.849 -1.003 -4.789 1.00 0.00 N ATOM 385 CA THR A 291 -8.374 -1.177 -4.848 1.00 0.00 C ATOM 386 C THR A 291 -7.809 -1.370 -3.437 1.00 0.00 C ATOM 387 O THR A 291 -6.965 -2.212 -3.205 1.00 0.00 O ATOM 388 CB THR A 291 -7.847 0.120 -5.468 1.00 0.00 C ATOM 389 OG1 THR A 291 -8.083 0.101 -6.869 1.00 0.00 O ATOM 390 CG2 THR A 291 -6.346 0.246 -5.202 1.00 0.00 C ATOM 0 H THR A 291 -10.206 -0.172 -5.260 1.00 0.00 H new ATOM 0 HA THR A 291 -8.082 -2.052 -5.428 1.00 0.00 H new ATOM 0 HB THR A 291 -8.362 0.971 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 291 -7.748 0.931 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 291 -5.974 1.170 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 291 -6.167 0.261 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 291 -5.825 -0.603 -5.645 1.00 0.00 H new ATOM 398 N TYR A 292 -8.272 -0.596 -2.494 1.00 0.00 N ATOM 399 CA TYR A 292 -7.765 -0.733 -1.099 1.00 0.00 C ATOM 400 C TYR A 292 -7.797 -2.202 -0.668 1.00 0.00 C ATOM 401 O TYR A 292 -6.786 -2.779 -0.320 1.00 0.00 O ATOM 402 CB TYR A 292 -8.724 0.098 -0.246 1.00 0.00 C ATOM 403 CG TYR A 292 -8.210 0.166 1.172 1.00 0.00 C ATOM 404 CD1 TYR A 292 -6.841 0.336 1.414 1.00 0.00 C ATOM 405 CD2 TYR A 292 -9.102 0.061 2.246 1.00 0.00 C ATOM 406 CE1 TYR A 292 -6.365 0.400 2.729 1.00 0.00 C ATOM 407 CE2 TYR A 292 -8.626 0.125 3.561 1.00 0.00 C ATOM 408 CZ TYR A 292 -7.257 0.294 3.802 1.00 0.00 C ATOM 409 OH TYR A 292 -6.787 0.357 5.098 1.00 0.00 O ATOM 0 H TYR A 292 -8.980 0.126 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.734 -0.395 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.817 1.103 -0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -9.719 -0.346 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -6.152 0.418 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -10.158 -0.069 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -5.309 0.531 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -9.314 0.044 4.389 1.00 0.00 H new ATOM 0 HH TYR A 292 -7.537 0.268 5.723 1.00 0.00 H new ATOM 419 N ARG A 293 -8.952 -2.811 -0.690 1.00 0.00 N ATOM 420 CA ARG A 293 -9.050 -4.240 -0.282 1.00 0.00 C ATOM 421 C ARG A 293 -7.882 -5.038 -0.867 1.00 0.00 C ATOM 422 O ARG A 293 -6.996 -5.471 -0.156 1.00 0.00 O ATOM 423 CB ARG A 293 -10.378 -4.727 -0.862 1.00 0.00 C ATOM 424 CG ARG A 293 -11.419 -4.820 0.255 1.00 0.00 C ATOM 425 CD ARG A 293 -12.635 -3.965 -0.108 1.00 0.00 C ATOM 426 NE ARG A 293 -13.748 -4.512 0.716 1.00 0.00 N ATOM 427 CZ ARG A 293 -14.989 -4.284 0.376 1.00 0.00 C ATOM 428 NH1 ARG A 293 -15.260 -3.571 -0.684 1.00 0.00 N ATOM 429 NH2 ARG A 293 -15.960 -4.770 1.099 1.00 0.00 N ATOM 0 H ARG A 293 -9.832 -2.379 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 293 -9.008 -4.365 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -10.721 -4.042 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -10.246 -5.701 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -11.721 -5.857 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -10.989 -4.479 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -12.459 -2.913 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -12.861 -4.032 -1.172 1.00 0.00 H new ATOM 0 HE ARG A 293 -13.541 -5.066 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -14.502 -3.190 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -16.230 -3.395 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -15.750 -5.326 1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -16.930 -4.593 0.836 1.00 0.00 H new ATOM 443 N LYS A 294 -7.874 -5.237 -2.157 1.00 0.00 N ATOM 444 CA LYS A 294 -6.765 -6.006 -2.784 1.00 0.00 C ATOM 445 C LYS A 294 -5.417 -5.523 -2.244 1.00 0.00 C ATOM 446 O LYS A 294 -4.701 -6.255 -1.589 1.00 0.00 O ATOM 447 CB LYS A 294 -6.879 -5.717 -4.281 1.00 0.00 C ATOM 448 CG LYS A 294 -6.827 -7.032 -5.060 1.00 0.00 C ATOM 449 CD LYS A 294 -6.208 -6.786 -6.437 1.00 0.00 C ATOM 450 CE LYS A 294 -4.698 -6.579 -6.289 1.00 0.00 C ATOM 451 NZ LYS A 294 -4.258 -6.015 -7.595 1.00 0.00 N ATOM 0 H LYS A 294 -8.588 -4.900 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 294 -6.829 -7.073 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -7.812 -5.194 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -6.068 -5.062 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -6.239 -7.769 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -7.831 -7.442 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -6.407 -7.633 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -6.662 -5.910 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -4.471 -5.898 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -4.190 -7.519 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -3.232 -5.845 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -4.481 -6.688 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -4.753 -5.117 -7.770 1.00 0.00 H new ATOM 465 N LEU A 295 -5.066 -4.295 -2.515 1.00 0.00 N ATOM 466 CA LEU A 295 -3.766 -3.762 -2.020 1.00 0.00 C ATOM 467 C LEU A 295 -3.526 -4.207 -0.575 1.00 0.00 C ATOM 468 O LEU A 295 -2.581 -4.914 -0.283 1.00 0.00 O ATOM 469 CB LEU A 295 -3.908 -2.242 -2.094 1.00 0.00 C ATOM 470 CG LEU A 295 -3.012 -1.699 -3.207 1.00 0.00 C ATOM 471 CD1 LEU A 295 -3.433 -2.309 -4.545 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.153 -0.176 -3.276 1.00 0.00 C ATOM 0 H LEU A 295 -5.625 -3.637 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 295 -2.922 -4.123 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -4.947 -1.972 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -3.632 -1.794 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 295 -1.975 -1.961 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -2.794 -1.922 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -3.335 -3.394 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -4.470 -2.047 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -2.515 0.213 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -4.191 0.084 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -2.854 0.261 -2.323 1.00 0.00 H new ATOM 484 N LYS A 296 -4.372 -3.796 0.330 1.00 0.00 N ATOM 485 CA LYS A 296 -4.194 -4.193 1.755 1.00 0.00 C ATOM 486 C LYS A 296 -3.795 -5.667 1.846 1.00 0.00 C ATOM 487 O LYS A 296 -2.760 -6.007 2.383 1.00 0.00 O ATOM 488 CB LYS A 296 -5.559 -3.964 2.405 1.00 0.00 C ATOM 489 CG LYS A 296 -5.507 -4.402 3.870 1.00 0.00 C ATOM 490 CD LYS A 296 -6.874 -4.180 4.519 1.00 0.00 C ATOM 491 CE LYS A 296 -6.998 -5.064 5.762 1.00 0.00 C ATOM 492 NZ LYS A 296 -6.718 -6.445 5.281 1.00 0.00 N ATOM 0 H LYS A 296 -5.180 -3.202 0.143 1.00 0.00 H new ATOM 0 HA LYS A 296 -3.408 -3.621 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -5.833 -2.911 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -6.326 -4.527 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -5.228 -5.454 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -4.743 -3.835 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -6.993 -3.131 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -7.668 -4.417 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -6.289 -4.763 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -7.994 -4.993 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -7.295 -7.123 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -6.953 -6.515 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -5.710 -6.663 5.418 1.00 0.00 H new ATOM 506 N ALA A 297 -4.607 -6.545 1.320 1.00 0.00 N ATOM 507 CA ALA A 297 -4.271 -7.994 1.373 1.00 0.00 C ATOM 508 C ALA A 297 -2.789 -8.199 1.049 1.00 0.00 C ATOM 509 O ALA A 297 -2.031 -8.701 1.855 1.00 0.00 O ATOM 510 CB ALA A 297 -5.150 -8.644 0.303 1.00 0.00 C ATOM 0 H ALA A 297 -5.487 -6.320 0.857 1.00 0.00 H new ATOM 0 HA ALA A 297 -4.446 -8.426 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -4.961 -9.717 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -6.200 -8.466 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -4.917 -8.213 -0.671 1.00 0.00 H new ATOM 516 N LYS A 298 -2.372 -7.810 -0.124 1.00 0.00 N ATOM 517 CA LYS A 298 -0.942 -7.976 -0.500 1.00 0.00 C ATOM 518 C LYS A 298 -0.039 -7.559 0.663 1.00 0.00 C ATOM 519 O LYS A 298 0.607 -8.378 1.286 1.00 0.00 O ATOM 520 CB LYS A 298 -0.737 -7.047 -1.698 1.00 0.00 C ATOM 521 CG LYS A 298 -0.841 -7.853 -2.994 1.00 0.00 C ATOM 522 CD LYS A 298 -0.094 -7.122 -4.112 1.00 0.00 C ATOM 523 CE LYS A 298 -1.055 -6.179 -4.839 1.00 0.00 C ATOM 524 NZ LYS A 298 -0.183 -5.322 -5.691 1.00 0.00 N ATOM 0 H LYS A 298 -2.962 -7.384 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 298 -0.695 -9.010 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -1.485 -6.255 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.238 -6.565 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.419 -8.848 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -1.887 -7.987 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.741 -6.558 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 298 0.326 -7.842 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -1.773 -6.735 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -1.629 -5.579 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -0.771 -4.648 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.485 -4.800 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 0.346 -5.920 -6.358 1.00 0.00 H new ATOM 538 N LEU A 299 0.010 -6.288 0.961 1.00 0.00 N ATOM 539 CA LEU A 299 0.870 -5.817 2.082 1.00 0.00 C ATOM 540 C LEU A 299 0.702 -6.731 3.298 1.00 0.00 C ATOM 541 O LEU A 299 1.651 -7.037 3.993 1.00 0.00 O ATOM 542 CB LEU A 299 0.370 -4.407 2.398 1.00 0.00 C ATOM 543 CG LEU A 299 1.561 -3.500 2.708 1.00 0.00 C ATOM 544 CD1 LEU A 299 1.731 -2.479 1.581 1.00 0.00 C ATOM 545 CD2 LEU A 299 1.310 -2.765 4.027 1.00 0.00 C ATOM 0 H LEU A 299 -0.509 -5.556 0.476 1.00 0.00 H new ATOM 0 HA LEU A 299 1.929 -5.826 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 299 -0.192 -4.011 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.311 -4.434 3.248 1.00 0.00 H new ATOM 0 HG LEU A 299 2.465 -4.102 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 299 2.580 -1.832 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 299 1.907 -3.001 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.827 -1.876 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 299 2.158 -2.118 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.406 -2.162 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 299 1.187 -3.491 4.830 1.00 0.00 H new