USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 385 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-5.3!) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -2.48! X(o=-2.5!,f=-2.3) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 37:sc= 0.542 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 422 LYS NZ :NH3+ -169:sc= 0.232 (180deg=0.175) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N VAL A 377 14.365 3.996 9.065 1.00 0.00 N ATOM 159 CA VAL A 377 14.350 3.442 7.716 1.00 0.00 C ATOM 160 C VAL A 377 15.690 3.651 7.021 1.00 0.00 C ATOM 161 O VAL A 377 16.208 4.767 6.972 1.00 0.00 O ATOM 162 CB VAL A 377 13.235 4.075 6.862 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.275 3.530 5.443 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.875 3.833 7.498 1.00 0.00 C ATOM 0 HA VAL A 377 14.159 2.373 7.814 1.00 0.00 H new ATOM 0 HB VAL A 377 13.402 5.151 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.480 3.988 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.240 3.761 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.134 2.449 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.099 4.287 6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.695 2.761 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.854 4.278 8.493 1.00 0.00 H new ATOM 174 N ASP A 378 16.246 2.571 6.483 1.00 0.00 N ATOM 175 CA ASP A 378 17.526 2.636 5.787 1.00 0.00 C ATOM 176 C ASP A 378 17.351 3.189 4.376 1.00 0.00 C ATOM 177 O ASP A 378 17.959 4.196 4.013 1.00 0.00 O ATOM 178 CB ASP A 378 18.170 1.250 5.729 1.00 0.00 C ATOM 179 CG ASP A 378 19.587 1.293 5.192 1.00 0.00 C ATOM 180 OD1 ASP A 378 19.756 1.226 3.956 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.527 1.392 6.008 1.00 0.00 O ATOM 0 H ASP A 378 15.830 1.640 6.515 1.00 0.00 H new ATOM 0 HA ASP A 378 18.179 3.309 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.176 0.813 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.565 0.597 5.099 1.00 0.00 H new ATOM 186 N ARG A 379 16.516 2.523 3.585 1.00 0.00 N ATOM 187 CA ARG A 379 16.262 2.946 2.213 1.00 0.00 C ATOM 188 C ARG A 379 15.093 2.172 1.613 1.00 0.00 C ATOM 189 O ARG A 379 14.439 1.386 2.299 1.00 0.00 O ATOM 190 CB ARG A 379 17.513 2.747 1.356 1.00 0.00 C ATOM 191 CG ARG A 379 17.597 1.374 0.710 1.00 0.00 C ATOM 192 CD ARG A 379 19.022 1.033 0.305 1.00 0.00 C ATOM 193 NE ARG A 379 19.370 1.593 -0.998 1.00 0.00 N ATOM 194 CZ ARG A 379 19.049 1.019 -2.153 1.00 0.00 C ATOM 195 NH1 ARG A 379 18.376 -0.123 -2.165 1.00 0.00 N ATOM 196 NH2 ARG A 379 19.401 1.590 -3.298 1.00 0.00 N ATOM 0 H ARG A 379 16.004 1.688 3.871 1.00 0.00 H new ATOM 0 HA ARG A 379 16.004 4.005 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.533 3.508 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.396 2.902 1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 379 17.225 0.621 1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.951 1.344 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.713 1.411 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.142 -0.050 0.278 1.00 0.00 H new ATOM 0 HE ARG A 379 19.887 2.472 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 379 18.103 -0.563 -1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 379 18.131 -0.561 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 379 19.918 2.469 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 379 19.155 1.150 -4.184 1.00 0.00 H new ATOM 210 N ILE A 380 14.835 2.401 0.330 1.00 0.00 N ATOM 211 CA ILE A 380 13.745 1.724 -0.363 1.00 0.00 C ATOM 212 C ILE A 380 14.272 0.622 -1.274 1.00 0.00 C ATOM 213 O ILE A 380 15.282 0.796 -1.958 1.00 0.00 O ATOM 214 CB ILE A 380 12.911 2.712 -1.200 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.234 3.740 -0.292 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.875 1.963 -2.026 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.460 4.798 -1.048 1.00 0.00 C ATOM 0 H ILE A 380 15.366 3.050 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 380 13.109 1.283 0.405 1.00 0.00 H new ATOM 0 HB ILE A 380 13.578 3.241 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.557 3.222 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.992 4.226 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 380 11.293 2.675 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.379 1.266 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.210 1.411 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.007 5.492 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.136 5.342 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.679 4.323 -1.641 1.00 0.00 H new ATOM 229 N LEU A 381 13.582 -0.514 -1.280 1.00 0.00 N ATOM 230 CA LEU A 381 13.980 -1.646 -2.109 1.00 0.00 C ATOM 231 C LEU A 381 13.136 -1.714 -3.378 1.00 0.00 C ATOM 232 O LEU A 381 13.635 -1.482 -4.479 1.00 0.00 O ATOM 233 CB LEU A 381 13.846 -2.951 -1.323 1.00 0.00 C ATOM 234 CG LEU A 381 14.904 -3.199 -0.248 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.506 -4.373 0.633 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.264 -3.445 -0.885 1.00 0.00 C ATOM 0 H LEU A 381 12.745 -0.675 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 381 15.023 -1.507 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.865 -2.967 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.873 -3.781 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 381 14.973 -2.309 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.271 -4.534 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.554 -4.158 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.407 -5.270 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 381 17.005 -3.620 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.209 -4.318 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.554 -2.574 -1.472 1.00 0.00 H new ATOM 248 N GLU A 382 11.856 -2.032 -3.215 1.00 0.00 N ATOM 249 CA GLU A 382 10.943 -2.129 -4.348 1.00 0.00 C ATOM 250 C GLU A 382 9.514 -1.798 -3.926 1.00 0.00 C ATOM 251 O GLU A 382 9.126 -2.022 -2.780 1.00 0.00 O ATOM 252 CB GLU A 382 10.994 -3.533 -4.954 1.00 0.00 C ATOM 253 CG GLU A 382 10.678 -3.567 -6.440 1.00 0.00 C ATOM 254 CD GLU A 382 11.909 -3.371 -7.304 1.00 0.00 C ATOM 255 OE1 GLU A 382 12.642 -2.386 -7.078 1.00 0.00 O ATOM 256 OE2 GLU A 382 12.138 -4.205 -8.205 1.00 0.00 O ATOM 0 H GLU A 382 11.428 -2.227 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 382 11.259 -1.405 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.987 -3.953 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.287 -4.173 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 382 10.214 -4.522 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 382 9.950 -2.790 -6.670 1.00 0.00 H new ATOM 263 N VAL A 383 8.737 -1.261 -4.861 1.00 0.00 N ATOM 264 CA VAL A 383 7.351 -0.898 -4.588 1.00 0.00 C ATOM 265 C VAL A 383 6.387 -1.779 -5.375 1.00 0.00 C ATOM 266 O VAL A 383 6.533 -1.948 -6.585 1.00 0.00 O ATOM 267 CB VAL A 383 7.079 0.578 -4.932 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.376 0.848 -6.399 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.643 0.947 -4.594 1.00 0.00 C ATOM 0 H VAL A 383 9.044 -1.068 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 383 7.188 -1.050 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 383 7.742 1.201 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.178 1.896 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.423 0.624 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.741 0.217 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.468 1.994 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 383 4.961 0.318 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.469 0.794 -3.529 1.00 0.00 H new ATOM 279 N ALA A 384 5.402 -2.336 -4.680 1.00 0.00 N ATOM 280 CA ALA A 384 4.411 -3.197 -5.314 1.00 0.00 C ATOM 281 C ALA A 384 2.995 -2.712 -5.025 1.00 0.00 C ATOM 282 O ALA A 384 2.694 -2.269 -3.915 1.00 0.00 O ATOM 283 CB ALA A 384 4.584 -4.635 -4.846 1.00 0.00 C ATOM 0 H ALA A 384 5.268 -2.207 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 384 4.568 -3.155 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.837 -5.267 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.581 -4.986 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.457 -4.683 -3.764 1.00 0.00 H new ATOM 289 N HIS A 385 2.128 -2.796 -6.029 1.00 0.00 N ATOM 290 CA HIS A 385 0.743 -2.364 -5.882 1.00 0.00 C ATOM 291 C HIS A 385 -0.169 -3.553 -5.594 1.00 0.00 C ATOM 292 O HIS A 385 -0.069 -4.597 -6.240 1.00 0.00 O ATOM 293 CB HIS A 385 0.275 -1.641 -7.145 1.00 0.00 C ATOM 294 CG HIS A 385 1.224 -0.582 -7.615 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.067 0.104 -6.766 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.462 -0.094 -8.855 1.00 0.00 C ATOM 297 CE1 HIS A 385 2.781 0.969 -7.464 1.00 0.00 C ATOM 298 NE2 HIS A 385 2.433 0.869 -8.734 1.00 0.00 N ATOM 0 H HIS A 385 2.360 -3.159 -6.953 1.00 0.00 H new ATOM 0 HA HIS A 385 0.690 -1.676 -5.039 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.136 -2.372 -7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.698 -1.187 -6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.978 -0.404 -9.769 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.523 1.644 -7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 385 2.822 1.418 -9.500 1.00 0.00 H new ATOM 306 N THR A 386 -1.059 -3.389 -4.621 1.00 0.00 N ATOM 307 CA THR A 386 -1.987 -4.449 -4.246 1.00 0.00 C ATOM 308 C THR A 386 -3.392 -3.898 -4.031 1.00 0.00 C ATOM 309 O THR A 386 -3.567 -2.721 -3.714 1.00 0.00 O ATOM 310 CB THR A 386 -1.528 -5.171 -2.965 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.164 -5.585 -3.098 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.406 -6.381 -2.683 1.00 0.00 C ATOM 0 H THR A 386 -1.157 -2.531 -4.078 1.00 0.00 H new ATOM 0 HA THR A 386 -2.002 -5.163 -5.070 1.00 0.00 H new ATOM 0 HB THR A 386 -1.616 -4.476 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 386 0.121 -6.042 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.063 -6.875 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 386 -3.439 -6.059 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.345 -7.077 -3.519 1.00 0.00 H new ATOM 320 N LYS A 387 -4.392 -4.756 -4.203 1.00 0.00 N ATOM 321 CA LYS A 387 -5.782 -4.357 -4.025 1.00 0.00 C ATOM 322 C LYS A 387 -6.442 -5.164 -2.911 1.00 0.00 C ATOM 323 O LYS A 387 -6.234 -6.372 -2.800 1.00 0.00 O ATOM 324 CB LYS A 387 -6.559 -4.541 -5.331 1.00 0.00 C ATOM 325 CG LYS A 387 -7.883 -3.798 -5.362 1.00 0.00 C ATOM 326 CD LYS A 387 -8.627 -4.038 -6.665 1.00 0.00 C ATOM 327 CE LYS A 387 -9.404 -5.346 -6.630 1.00 0.00 C ATOM 328 NZ LYS A 387 -10.090 -5.618 -7.923 1.00 0.00 N ATOM 0 H LYS A 387 -4.265 -5.733 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.798 -3.304 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -5.942 -4.200 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.745 -5.604 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.502 -4.120 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.705 -2.730 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -9.312 -3.211 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.918 -4.057 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -8.724 -6.166 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -10.142 -5.309 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.608 -6.517 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -10.758 -4.848 -8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.384 -5.679 -8.684 1.00 0.00 H new ATOM 342 N ASP A 388 -7.238 -4.489 -2.089 1.00 0.00 N ATOM 343 CA ASP A 388 -7.930 -5.144 -0.986 1.00 0.00 C ATOM 344 C ASP A 388 -9.071 -6.016 -1.501 1.00 0.00 C ATOM 345 O ASP A 388 -9.694 -5.705 -2.516 1.00 0.00 O ATOM 346 CB ASP A 388 -8.471 -4.102 -0.005 1.00 0.00 C ATOM 347 CG ASP A 388 -9.798 -3.520 -0.451 1.00 0.00 C ATOM 348 OD1 ASP A 388 -10.758 -4.298 -0.627 1.00 0.00 O ATOM 349 OD2 ASP A 388 -9.875 -2.286 -0.626 1.00 0.00 O ATOM 0 H ASP A 388 -7.420 -3.488 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 388 -7.214 -5.782 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.590 -4.559 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -7.743 -3.298 0.104 1.00 0.00 H new ATOM 354 N ALA A 389 -9.339 -7.109 -0.794 1.00 0.00 N ATOM 355 CA ALA A 389 -10.405 -8.026 -1.179 1.00 0.00 C ATOM 356 C ALA A 389 -11.678 -7.750 -0.388 1.00 0.00 C ATOM 357 O ALA A 389 -12.780 -8.060 -0.840 1.00 0.00 O ATOM 358 CB ALA A 389 -9.959 -9.467 -0.980 1.00 0.00 C ATOM 0 H ALA A 389 -8.833 -7.381 0.049 1.00 0.00 H new ATOM 0 HA ALA A 389 -10.623 -7.868 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -10.765 -10.141 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -9.081 -9.664 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -9.711 -9.630 0.069 1.00 0.00 H new ATOM 364 N GLU A 390 -11.519 -7.166 0.796 1.00 0.00 N ATOM 365 CA GLU A 390 -12.658 -6.850 1.650 1.00 0.00 C ATOM 366 C GLU A 390 -13.641 -5.931 0.930 1.00 0.00 C ATOM 367 O GLU A 390 -14.808 -6.276 0.742 1.00 0.00 O ATOM 368 CB GLU A 390 -12.184 -6.191 2.947 1.00 0.00 C ATOM 369 CG GLU A 390 -11.220 -7.050 3.749 1.00 0.00 C ATOM 370 CD GLU A 390 -10.949 -6.488 5.131 1.00 0.00 C ATOM 371 OE1 GLU A 390 -10.187 -5.504 5.233 1.00 0.00 O ATOM 372 OE2 GLU A 390 -11.500 -7.032 6.111 1.00 0.00 O ATOM 0 H GLU A 390 -10.614 -6.903 1.185 1.00 0.00 H new ATOM 0 HA GLU A 390 -13.169 -7.783 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -11.701 -5.244 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.051 -5.959 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -11.628 -8.056 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -10.279 -7.138 3.206 1.00 0.00 H new ATOM 379 N THR A 391 -13.160 -4.759 0.528 1.00 0.00 N ATOM 380 CA THR A 391 -13.994 -3.789 -0.170 1.00 0.00 C ATOM 381 C THR A 391 -13.735 -3.820 -1.672 1.00 0.00 C ATOM 382 O THR A 391 -14.586 -4.248 -2.450 1.00 0.00 O ATOM 383 CB THR A 391 -13.751 -2.360 0.352 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.377 -2.201 0.722 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.642 -2.063 1.549 1.00 0.00 C ATOM 0 H THR A 391 -12.196 -4.458 0.674 1.00 0.00 H new ATOM 0 HA THR A 391 -15.030 -4.067 0.023 1.00 0.00 H new ATOM 0 HB THR A 391 -13.995 -1.658 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 391 -12.230 -1.290 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 391 -14.453 -1.049 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 391 -15.688 -2.157 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.424 -2.771 2.349 1.00 0.00 H new ATOM 393 N GLY A 392 -12.552 -3.365 -2.073 1.00 0.00 N ATOM 394 CA GLY A 392 -12.202 -3.350 -3.481 1.00 0.00 C ATOM 395 C GLY A 392 -11.550 -2.048 -3.903 1.00 0.00 C ATOM 396 O GLY A 392 -11.973 -1.421 -4.873 1.00 0.00 O ATOM 0 H GLY A 392 -11.830 -3.007 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.524 -4.177 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -13.100 -3.513 -4.077 1.00 0.00 H new ATOM 400 N GLU A 393 -10.518 -1.641 -3.171 1.00 0.00 N ATOM 401 CA GLU A 393 -9.808 -0.403 -3.474 1.00 0.00 C ATOM 402 C GLU A 393 -8.334 -0.676 -3.756 1.00 0.00 C ATOM 403 O GLU A 393 -7.746 -1.601 -3.197 1.00 0.00 O ATOM 404 CB GLU A 393 -9.942 0.585 -2.314 1.00 0.00 C ATOM 405 CG GLU A 393 -11.380 0.970 -2.005 1.00 0.00 C ATOM 406 CD GLU A 393 -11.478 2.094 -0.992 1.00 0.00 C ATOM 407 OE1 GLU A 393 -11.011 1.905 0.150 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.022 3.162 -1.342 1.00 0.00 O ATOM 0 H GLU A 393 -10.155 -2.149 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 393 -10.256 0.033 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.492 0.149 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -9.376 1.486 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.877 1.272 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.913 0.097 -1.627 1.00 0.00 H new ATOM 415 N GLU A 394 -7.743 0.136 -4.628 1.00 0.00 N ATOM 416 CA GLU A 394 -6.338 -0.019 -4.985 1.00 0.00 C ATOM 417 C GLU A 394 -5.436 0.625 -3.936 1.00 0.00 C ATOM 418 O GLU A 394 -5.480 1.836 -3.723 1.00 0.00 O ATOM 419 CB GLU A 394 -6.066 0.601 -6.357 1.00 0.00 C ATOM 420 CG GLU A 394 -4.641 0.400 -6.844 1.00 0.00 C ATOM 421 CD GLU A 394 -4.426 0.926 -8.250 1.00 0.00 C ATOM 422 OE1 GLU A 394 -4.817 2.081 -8.518 1.00 0.00 O ATOM 423 OE2 GLU A 394 -3.865 0.182 -9.082 1.00 0.00 O ATOM 0 H GLU A 394 -8.216 0.907 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 394 -6.115 -1.085 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -6.754 0.169 -7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -6.278 1.669 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -3.954 0.902 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -4.398 -0.662 -6.816 1.00 0.00 H new ATOM 430 N VAL A 395 -4.619 -0.196 -3.283 1.00 0.00 N ATOM 431 CA VAL A 395 -3.705 0.292 -2.257 1.00 0.00 C ATOM 432 C VAL A 395 -2.255 0.014 -2.635 1.00 0.00 C ATOM 433 O VAL A 395 -1.887 -1.121 -2.938 1.00 0.00 O ATOM 434 CB VAL A 395 -4.001 -0.353 -0.890 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.021 0.148 0.161 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.436 -0.074 -0.468 1.00 0.00 C ATOM 0 H VAL A 395 -4.572 -1.202 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.857 1.369 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.877 -1.432 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.246 -0.319 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.005 -0.108 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.110 1.230 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.627 -0.537 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.590 1.002 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.120 -0.487 -1.209 1.00 0.00 H new ATOM 446 N THR A 396 -1.433 1.059 -2.614 1.00 0.00 N ATOM 447 CA THR A 396 -0.022 0.928 -2.955 1.00 0.00 C ATOM 448 C THR A 396 0.803 0.530 -1.737 1.00 0.00 C ATOM 449 O THR A 396 0.531 0.968 -0.620 1.00 0.00 O ATOM 450 CB THR A 396 0.540 2.240 -3.535 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.415 2.832 -4.423 1.00 0.00 O ATOM 452 CG2 THR A 396 1.844 1.990 -4.277 1.00 0.00 C ATOM 0 H THR A 396 -1.721 2.005 -2.364 1.00 0.00 H new ATOM 0 HA THR A 396 0.049 0.145 -3.710 1.00 0.00 H new ATOM 0 HB THR A 396 0.737 2.922 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.051 3.666 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.221 2.931 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.578 1.568 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.669 1.292 -5.096 1.00 0.00 H new ATOM 460 N HIS A 397 1.814 -0.304 -1.961 1.00 0.00 N ATOM 461 CA HIS A 397 2.681 -0.762 -0.880 1.00 0.00 C ATOM 462 C HIS A 397 4.149 -0.551 -1.236 1.00 0.00 C ATOM 463 O HIS A 397 4.578 -0.851 -2.350 1.00 0.00 O ATOM 464 CB HIS A 397 2.423 -2.239 -0.582 1.00 0.00 C ATOM 465 CG HIS A 397 1.003 -2.536 -0.210 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.028 -2.550 -1.127 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.444 -2.834 0.986 1.00 0.00 C ATOM 468 CE1 HIS A 397 -1.159 -2.841 -0.510 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.900 -3.019 0.773 1.00 0.00 N ATOM 0 H HIS A 397 2.053 -0.676 -2.880 1.00 0.00 H new ATOM 0 HA HIS A 397 2.453 -0.175 0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.692 -2.830 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.077 -2.557 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 397 0.959 -2.912 1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -2.130 -2.920 -0.975 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -1.587 -3.255 1.489 1.00 0.00 H new ATOM 477 N TYR A 398 4.915 -0.033 -0.282 1.00 0.00 N ATOM 478 CA TYR A 398 6.335 0.221 -0.496 1.00 0.00 C ATOM 479 C TYR A 398 7.187 -0.619 0.450 1.00 0.00 C ATOM 480 O TYR A 398 7.033 -0.551 1.670 1.00 0.00 O ATOM 481 CB TYR A 398 6.645 1.706 -0.297 1.00 0.00 C ATOM 482 CG TYR A 398 6.144 2.585 -1.420 1.00 0.00 C ATOM 483 CD1 TYR A 398 4.820 3.004 -1.462 1.00 0.00 C ATOM 484 CD2 TYR A 398 6.993 2.995 -2.440 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.357 3.807 -2.487 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.539 3.799 -3.468 1.00 0.00 C ATOM 487 CZ TYR A 398 5.220 4.202 -3.487 1.00 0.00 C ATOM 488 OH TYR A 398 4.764 5.002 -4.510 1.00 0.00 O ATOM 0 H TYR A 398 4.577 0.219 0.647 1.00 0.00 H new ATOM 0 HA TYR A 398 6.578 -0.060 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.199 2.039 0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.723 1.834 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 398 4.141 2.697 -0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 398 8.026 2.680 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.325 4.123 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.213 4.110 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 398 5.499 5.190 -5.131 1.00 0.00 H new ATOM 498 N LEU A 399 8.088 -1.411 -0.121 1.00 0.00 N ATOM 499 CA LEU A 399 8.967 -2.266 0.670 1.00 0.00 C ATOM 500 C LEU A 399 9.971 -1.432 1.459 1.00 0.00 C ATOM 501 O LEU A 399 11.025 -1.058 0.943 1.00 0.00 O ATOM 502 CB LEU A 399 9.706 -3.250 -0.238 1.00 0.00 C ATOM 503 CG LEU A 399 10.680 -4.202 0.456 1.00 0.00 C ATOM 504 CD1 LEU A 399 10.065 -4.759 1.731 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.083 -5.331 -0.482 1.00 0.00 C ATOM 0 H LEU A 399 8.229 -1.479 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 399 8.352 -2.824 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.966 -3.846 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.257 -2.680 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 399 11.576 -3.642 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.773 -5.435 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.828 -3.939 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 399 9.152 -5.303 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.777 -5.999 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.196 -5.889 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.565 -4.915 -1.366 1.00 0.00 H new ATOM 517 N VAL A 400 9.638 -1.145 2.713 1.00 0.00 N ATOM 518 CA VAL A 400 10.512 -0.358 3.575 1.00 0.00 C ATOM 519 C VAL A 400 11.664 -1.203 4.108 1.00 0.00 C ATOM 520 O VAL A 400 11.451 -2.208 4.785 1.00 0.00 O ATOM 521 CB VAL A 400 9.736 0.240 4.764 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.651 1.107 5.616 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.539 1.038 4.272 1.00 0.00 C ATOM 0 H VAL A 400 8.769 -1.446 3.155 1.00 0.00 H new ATOM 0 HA VAL A 400 10.911 0.453 2.966 1.00 0.00 H new ATOM 0 HB VAL A 400 9.368 -0.578 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.086 1.521 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.473 0.502 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.050 1.920 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.003 1.453 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.882 1.849 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.873 0.385 3.708 1.00 0.00 H new ATOM 533 N LYS A 401 12.887 -0.787 3.796 1.00 0.00 N ATOM 534 CA LYS A 401 14.076 -1.504 4.244 1.00 0.00 C ATOM 535 C LYS A 401 14.715 -0.804 5.440 1.00 0.00 C ATOM 536 O LYS A 401 15.434 0.182 5.281 1.00 0.00 O ATOM 537 CB LYS A 401 15.090 -1.614 3.103 1.00 0.00 C ATOM 538 CG LYS A 401 16.457 -2.102 3.549 1.00 0.00 C ATOM 539 CD LYS A 401 17.402 -2.266 2.371 1.00 0.00 C ATOM 540 CE LYS A 401 18.854 -2.318 2.824 1.00 0.00 C ATOM 541 NZ LYS A 401 19.223 -3.662 3.349 1.00 0.00 N ATOM 0 H LYS A 401 13.081 0.042 3.235 1.00 0.00 H new ATOM 0 HA LYS A 401 13.772 -2.505 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.700 -2.294 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.199 -0.638 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 401 16.882 -1.395 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.353 -3.055 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.156 -3.180 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.266 -1.437 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 401 19.505 -2.064 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 401 19.020 -1.568 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 20.219 -3.657 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 18.619 -3.894 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.089 -4.375 2.604 1.00 0.00 H new ATOM 555 N TRP A 402 14.448 -1.321 6.633 1.00 0.00 N ATOM 556 CA TRP A 402 14.999 -0.746 7.855 1.00 0.00 C ATOM 557 C TRP A 402 15.926 -1.736 8.553 1.00 0.00 C ATOM 558 O TRP A 402 15.477 -2.580 9.329 1.00 0.00 O ATOM 559 CB TRP A 402 13.871 -0.332 8.802 1.00 0.00 C ATOM 560 CG TRP A 402 12.723 -1.295 8.815 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.772 -2.633 8.545 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.355 -0.994 9.113 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.517 -3.182 8.657 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.631 -2.197 9.005 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.672 0.174 9.463 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.259 -2.263 9.233 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.311 0.107 9.688 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.616 -1.104 9.574 1.00 0.00 C ATOM 0 H TRP A 402 13.854 -2.137 6.781 1.00 0.00 H new ATOM 0 HA TRP A 402 15.578 0.136 7.582 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.270 -0.240 9.812 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.506 0.653 8.512 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.666 -3.179 8.282 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.283 -4.163 8.506 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.199 1.112 9.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.721 -3.195 9.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.773 1.004 9.957 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.552 -1.123 9.759 1.00 0.00 H new ATOM 579 N CYS A 403 17.220 -1.627 8.272 1.00 0.00 N ATOM 580 CA CYS A 403 18.210 -2.513 8.872 1.00 0.00 C ATOM 581 C CYS A 403 17.866 -2.804 10.329 1.00 0.00 C ATOM 582 O CYS A 403 17.837 -3.960 10.752 1.00 0.00 O ATOM 583 CB CYS A 403 19.604 -1.892 8.779 1.00 0.00 C ATOM 584 SG CYS A 403 20.953 -3.095 8.821 1.00 0.00 S ATOM 0 H CYS A 403 17.608 -0.934 7.632 1.00 0.00 H new ATOM 0 HA CYS A 403 18.202 -3.453 8.320 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.673 -1.317 7.855 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.733 -1.189 9.602 1.00 0.00 H new ATOM 0 HG CYS A 403 22.092 -2.473 8.734 1.00 0.00 H new ATOM 590 N SER A 404 17.609 -1.747 11.094 1.00 0.00 N ATOM 591 CA SER A 404 17.273 -1.889 12.506 1.00 0.00 C ATOM 592 C SER A 404 16.482 -3.170 12.750 1.00 0.00 C ATOM 593 O SER A 404 16.716 -3.882 13.728 1.00 0.00 O ATOM 594 CB SER A 404 16.467 -0.680 12.984 1.00 0.00 C ATOM 595 OG SER A 404 15.964 -0.887 14.292 1.00 0.00 O ATOM 0 H SER A 404 17.627 -0.784 10.760 1.00 0.00 H new ATOM 0 HA SER A 404 18.203 -1.944 13.072 1.00 0.00 H new ATOM 0 HB2 SER A 404 17.097 0.209 12.970 1.00 0.00 H new ATOM 0 HB3 SER A 404 15.640 -0.496 12.298 1.00 0.00 H new ATOM 0 HG SER A 404 15.454 -0.099 14.575 1.00 0.00 H new ATOM 601 N LEU A 405 15.544 -3.459 11.855 1.00 0.00 N ATOM 602 CA LEU A 405 14.716 -4.654 11.971 1.00 0.00 C ATOM 603 C LEU A 405 15.277 -5.789 11.120 1.00 0.00 C ATOM 604 O LEU A 405 16.020 -5.572 10.163 1.00 0.00 O ATOM 605 CB LEU A 405 13.279 -4.347 11.549 1.00 0.00 C ATOM 606 CG LEU A 405 12.406 -3.653 12.596 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.148 -3.089 11.953 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.047 -4.619 13.716 1.00 0.00 C ATOM 0 H LEU A 405 15.338 -2.881 11.040 1.00 0.00 H new ATOM 0 HA LEU A 405 14.721 -4.969 13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.309 -3.721 10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.797 -5.283 11.265 1.00 0.00 H new ATOM 0 HG LEU A 405 12.973 -2.826 13.024 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.539 -2.599 12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.424 -2.365 11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.578 -3.899 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.426 -4.108 14.452 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.499 -5.466 13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.959 -4.975 14.196 1.00 0.00 H new ATOM 620 N PRO A 406 14.912 -7.031 11.474 1.00 0.00 N ATOM 621 CA PRO A 406 15.364 -8.224 10.753 1.00 0.00 C ATOM 622 C PRO A 406 14.745 -8.333 9.364 1.00 0.00 C ATOM 623 O PRO A 406 13.524 -8.286 9.213 1.00 0.00 O ATOM 624 CB PRO A 406 14.889 -9.376 11.642 1.00 0.00 C ATOM 625 CG PRO A 406 13.727 -8.822 12.392 1.00 0.00 C ATOM 626 CD PRO A 406 14.029 -7.364 12.604 1.00 0.00 C ATOM 0 HA PRO A 406 16.441 -8.214 10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.599 -10.242 11.047 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.677 -9.704 12.319 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.802 -8.951 11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.596 -9.336 13.344 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.121 -6.760 12.596 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.519 -7.190 13.562 1.00 0.00 H new ATOM 634 N TYR A 407 15.594 -8.478 8.353 1.00 0.00 N ATOM 635 CA TYR A 407 15.129 -8.592 6.975 1.00 0.00 C ATOM 636 C TYR A 407 13.963 -9.569 6.872 1.00 0.00 C ATOM 637 O TYR A 407 12.962 -9.291 6.212 1.00 0.00 O ATOM 638 CB TYR A 407 16.272 -9.046 6.066 1.00 0.00 C ATOM 639 CG TYR A 407 15.906 -9.067 4.599 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.873 -7.894 3.854 1.00 0.00 C ATOM 641 CD2 TYR A 407 15.593 -10.259 3.958 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.538 -7.909 2.514 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.259 -10.283 2.617 1.00 0.00 C ATOM 644 CZ TYR A 407 15.233 -9.105 1.900 1.00 0.00 C ATOM 645 OH TYR A 407 14.899 -9.125 0.565 1.00 0.00 O ATOM 0 H TYR A 407 16.607 -8.519 8.461 1.00 0.00 H new ATOM 0 HA TYR A 407 14.785 -7.610 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.125 -8.383 6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.590 -10.044 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.113 -6.955 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 407 15.611 -11.183 4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.515 -6.988 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.020 -11.219 2.133 1.00 0.00 H new ATOM 0 HH TYR A 407 14.714 -10.047 0.288 1.00 0.00 H new ATOM 655 N GLU A 408 14.100 -10.716 7.531 1.00 0.00 N ATOM 656 CA GLU A 408 13.058 -11.736 7.514 1.00 0.00 C ATOM 657 C GLU A 408 11.687 -11.117 7.770 1.00 0.00 C ATOM 658 O GLU A 408 10.678 -11.576 7.236 1.00 0.00 O ATOM 659 CB GLU A 408 13.348 -12.811 8.563 1.00 0.00 C ATOM 660 CG GLU A 408 14.650 -13.558 8.325 1.00 0.00 C ATOM 661 CD GLU A 408 14.794 -14.778 9.214 1.00 0.00 C ATOM 662 OE1 GLU A 408 15.060 -14.604 10.422 1.00 0.00 O ATOM 663 OE2 GLU A 408 14.639 -15.906 8.701 1.00 0.00 O ATOM 0 H GLU A 408 14.922 -10.962 8.083 1.00 0.00 H new ATOM 0 HA GLU A 408 13.052 -12.196 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.381 -12.346 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 408 12.526 -13.526 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 408 14.702 -13.866 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 408 15.488 -12.884 8.501 1.00 0.00 H new ATOM 670 N GLU A 409 11.660 -10.072 8.591 1.00 0.00 N ATOM 671 CA GLU A 409 10.413 -9.391 8.919 1.00 0.00 C ATOM 672 C GLU A 409 10.147 -8.245 7.947 1.00 0.00 C ATOM 673 O GLU A 409 9.481 -7.268 8.290 1.00 0.00 O ATOM 674 CB GLU A 409 10.459 -8.858 10.353 1.00 0.00 C ATOM 675 CG GLU A 409 10.288 -9.936 11.409 1.00 0.00 C ATOM 676 CD GLU A 409 9.734 -9.394 12.712 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.736 -8.646 12.668 1.00 0.00 O ATOM 678 OE2 GLU A 409 10.300 -9.719 13.777 1.00 0.00 O ATOM 0 H GLU A 409 12.487 -9.679 9.041 1.00 0.00 H new ATOM 0 HA GLU A 409 9.601 -10.113 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.411 -8.352 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.676 -8.110 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.621 -10.709 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.251 -10.411 11.598 1.00 0.00 H new ATOM 685 N SER A 410 10.672 -8.373 6.733 1.00 0.00 N ATOM 686 CA SER A 410 10.496 -7.347 5.712 1.00 0.00 C ATOM 687 C SER A 410 9.016 -7.130 5.410 1.00 0.00 C ATOM 688 O SER A 410 8.314 -8.050 4.988 1.00 0.00 O ATOM 689 CB SER A 410 11.237 -7.738 4.432 1.00 0.00 C ATOM 690 OG SER A 410 10.724 -8.945 3.894 1.00 0.00 O ATOM 0 H SER A 410 11.223 -9.177 6.432 1.00 0.00 H new ATOM 0 HA SER A 410 10.912 -6.415 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.144 -6.940 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 410 12.300 -7.854 4.644 1.00 0.00 H new ATOM 0 HG SER A 410 9.753 -8.976 4.026 1.00 0.00 H new ATOM 696 N THR A 411 8.547 -5.906 5.629 1.00 0.00 N ATOM 697 CA THR A 411 7.151 -5.566 5.382 1.00 0.00 C ATOM 698 C THR A 411 7.033 -4.370 4.445 1.00 0.00 C ATOM 699 O THR A 411 7.971 -3.586 4.304 1.00 0.00 O ATOM 700 CB THR A 411 6.409 -5.251 6.695 1.00 0.00 C ATOM 701 OG1 THR A 411 5.106 -4.731 6.408 1.00 0.00 O ATOM 702 CG2 THR A 411 7.189 -4.246 7.529 1.00 0.00 C ATOM 0 H THR A 411 9.114 -5.133 5.977 1.00 0.00 H new ATOM 0 HA THR A 411 6.692 -6.437 4.914 1.00 0.00 H new ATOM 0 HB THR A 411 6.314 -6.176 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.640 -4.535 7.247 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.646 -4.039 8.451 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.170 -4.656 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.311 -3.322 6.964 1.00 0.00 H new ATOM 710 N TRP A 412 5.876 -4.236 3.807 1.00 0.00 N ATOM 711 CA TRP A 412 5.637 -3.133 2.883 1.00 0.00 C ATOM 712 C TRP A 412 4.613 -2.158 3.453 1.00 0.00 C ATOM 713 O TRP A 412 3.411 -2.421 3.427 1.00 0.00 O ATOM 714 CB TRP A 412 5.154 -3.668 1.533 1.00 0.00 C ATOM 715 CG TRP A 412 6.074 -4.687 0.934 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.528 -5.831 1.527 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.655 -4.653 -0.374 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.355 -6.511 0.666 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.449 -5.809 -0.507 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.581 -3.760 -1.446 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.163 -6.092 -1.669 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.289 -4.042 -2.599 1.00 0.00 C ATOM 723 CH2 TRP A 412 8.071 -5.200 -2.703 1.00 0.00 C ATOM 0 H TRP A 412 5.089 -4.877 3.912 1.00 0.00 H new ATOM 0 HA TRP A 412 6.577 -2.601 2.740 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.166 -4.111 1.658 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.045 -2.835 0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.274 -6.153 2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.823 -7.395 0.867 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.981 -2.865 -1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.767 -6.983 -1.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.239 -3.358 -3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.612 -5.393 -3.618 1.00 0.00 H new ATOM 734 N GLU A 413 5.097 -1.032 3.968 1.00 0.00 N ATOM 735 CA GLU A 413 4.223 -0.018 4.545 1.00 0.00 C ATOM 736 C GLU A 413 3.534 0.793 3.451 1.00 0.00 C ATOM 737 O GLU A 413 3.964 0.790 2.296 1.00 0.00 O ATOM 738 CB GLU A 413 5.019 0.913 5.461 1.00 0.00 C ATOM 739 CG GLU A 413 6.034 0.190 6.330 1.00 0.00 C ATOM 740 CD GLU A 413 6.377 0.960 7.591 1.00 0.00 C ATOM 741 OE1 GLU A 413 5.538 0.987 8.515 1.00 0.00 O ATOM 742 OE2 GLU A 413 7.483 1.536 7.653 1.00 0.00 O ATOM 0 H GLU A 413 6.090 -0.799 3.997 1.00 0.00 H new ATOM 0 HA GLU A 413 3.458 -0.526 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 413 5.537 1.653 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.326 1.457 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.641 -0.789 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.944 0.020 5.754 1.00 0.00 H new ATOM 749 N LEU A 414 2.464 1.487 3.822 1.00 0.00 N ATOM 750 CA LEU A 414 1.715 2.304 2.873 1.00 0.00 C ATOM 751 C LEU A 414 2.458 3.599 2.563 1.00 0.00 C ATOM 752 O LEU A 414 3.274 4.063 3.360 1.00 0.00 O ATOM 753 CB LEU A 414 0.325 2.620 3.429 1.00 0.00 C ATOM 754 CG LEU A 414 -0.604 1.424 3.634 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.978 1.887 4.091 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.713 0.607 2.354 1.00 0.00 C ATOM 0 H LEU A 414 2.095 1.501 4.773 1.00 0.00 H new ATOM 0 HA LEU A 414 1.610 1.738 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.445 3.129 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.163 3.322 2.753 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.180 0.789 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.625 1.021 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.885 2.428 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.410 2.544 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.378 -0.240 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.113 1.233 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.274 0.243 2.069 1.00 0.00 H new ATOM 768 N GLU A 415 2.169 4.178 1.402 1.00 0.00 N ATOM 769 CA GLU A 415 2.810 5.421 0.988 1.00 0.00 C ATOM 770 C GLU A 415 2.659 6.494 2.062 1.00 0.00 C ATOM 771 O GLU A 415 3.559 7.306 2.273 1.00 0.00 O ATOM 772 CB GLU A 415 2.212 5.914 -0.331 1.00 0.00 C ATOM 773 CG GLU A 415 3.169 6.758 -1.155 1.00 0.00 C ATOM 774 CD GLU A 415 2.451 7.750 -2.049 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.663 7.309 -2.912 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.678 8.967 -1.886 1.00 0.00 O ATOM 0 H GLU A 415 1.496 3.807 0.732 1.00 0.00 H new ATOM 0 HA GLU A 415 3.872 5.223 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.898 5.054 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.317 6.498 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.840 7.297 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.788 6.104 -1.769 1.00 0.00 H new ATOM 783 N GLU A 416 1.513 6.491 2.736 1.00 0.00 N ATOM 784 CA GLU A 416 1.243 7.466 3.787 1.00 0.00 C ATOM 785 C GLU A 416 2.096 7.185 5.021 1.00 0.00 C ATOM 786 O GLU A 416 2.557 8.108 5.693 1.00 0.00 O ATOM 787 CB GLU A 416 -0.240 7.446 4.163 1.00 0.00 C ATOM 788 CG GLU A 416 -0.709 6.113 4.721 1.00 0.00 C ATOM 789 CD GLU A 416 -2.220 6.000 4.770 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.831 5.752 3.709 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.791 6.158 5.869 1.00 0.00 O ATOM 0 H GLU A 416 0.757 5.825 2.573 1.00 0.00 H new ATOM 0 HA GLU A 416 1.500 8.454 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.430 8.226 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.833 7.690 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.308 5.306 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -0.306 5.982 5.725 1.00 0.00 H new ATOM 798 N ASP A 417 2.299 5.906 5.314 1.00 0.00 N ATOM 799 CA ASP A 417 3.096 5.502 6.467 1.00 0.00 C ATOM 800 C ASP A 417 4.585 5.680 6.187 1.00 0.00 C ATOM 801 O ASP A 417 5.400 5.722 7.108 1.00 0.00 O ATOM 802 CB ASP A 417 2.803 4.047 6.832 1.00 0.00 C ATOM 803 CG ASP A 417 1.599 3.909 7.742 1.00 0.00 C ATOM 804 OD1 ASP A 417 0.642 4.696 7.583 1.00 0.00 O ATOM 805 OD2 ASP A 417 1.612 3.015 8.613 1.00 0.00 O ATOM 0 H ASP A 417 1.923 5.130 4.769 1.00 0.00 H new ATOM 0 HA ASP A 417 2.824 6.140 7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.633 3.474 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.676 3.616 7.322 1.00 0.00 H new ATOM 810 N VAL A 418 4.934 5.781 4.908 1.00 0.00 N ATOM 811 CA VAL A 418 6.325 5.954 4.506 1.00 0.00 C ATOM 812 C VAL A 418 6.657 7.427 4.293 1.00 0.00 C ATOM 813 O VAL A 418 5.821 8.201 3.827 1.00 0.00 O ATOM 814 CB VAL A 418 6.636 5.177 3.213 1.00 0.00 C ATOM 815 CG1 VAL A 418 7.924 5.683 2.583 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.721 3.685 3.496 1.00 0.00 C ATOM 0 H VAL A 418 4.272 5.746 4.133 1.00 0.00 H new ATOM 0 HA VAL A 418 6.940 5.560 5.315 1.00 0.00 H new ATOM 0 HB VAL A 418 5.824 5.343 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.128 5.122 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 418 7.820 6.741 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.749 5.549 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.941 3.151 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.513 3.497 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.770 3.336 3.898 1.00 0.00 H new ATOM 826 N ASP A 419 7.882 7.807 4.638 1.00 0.00 N ATOM 827 CA ASP A 419 8.326 9.187 4.483 1.00 0.00 C ATOM 828 C ASP A 419 8.496 9.541 3.009 1.00 0.00 C ATOM 829 O ASP A 419 8.914 8.720 2.192 1.00 0.00 O ATOM 830 CB ASP A 419 9.643 9.408 5.229 1.00 0.00 C ATOM 831 CG ASP A 419 9.519 9.138 6.716 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.026 8.051 7.081 1.00 0.00 O ATOM 833 OD2 ASP A 419 9.914 10.014 7.514 1.00 0.00 O ATOM 0 H ASP A 419 8.585 7.179 5.027 1.00 0.00 H new ATOM 0 HA ASP A 419 7.563 9.838 4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.409 8.758 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 419 9.976 10.434 5.076 1.00 0.00 H new ATOM 838 N PRO A 420 8.165 10.793 2.659 1.00 0.00 N ATOM 839 CA PRO A 420 8.273 11.285 1.282 1.00 0.00 C ATOM 840 C PRO A 420 9.722 11.438 0.833 1.00 0.00 C ATOM 841 O PRO A 420 10.091 11.007 -0.259 1.00 0.00 O ATOM 842 CB PRO A 420 7.583 12.650 1.338 1.00 0.00 C ATOM 843 CG PRO A 420 7.714 13.083 2.758 1.00 0.00 C ATOM 844 CD PRO A 420 7.661 11.825 3.581 1.00 0.00 C ATOM 0 HA PRO A 420 7.826 10.595 0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 420 8.057 13.361 0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.537 12.577 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.651 13.615 2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.909 13.764 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.280 11.903 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.647 11.605 3.914 1.00 0.00 H new ATOM 852 N ALA A 421 10.538 12.053 1.682 1.00 0.00 N ATOM 853 CA ALA A 421 11.947 12.261 1.372 1.00 0.00 C ATOM 854 C ALA A 421 12.585 10.983 0.837 1.00 0.00 C ATOM 855 O ALA A 421 13.329 11.012 -0.144 1.00 0.00 O ATOM 856 CB ALA A 421 12.692 12.748 2.606 1.00 0.00 C ATOM 0 H ALA A 421 10.248 12.416 2.590 1.00 0.00 H new ATOM 0 HA ALA A 421 12.015 13.023 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.743 12.899 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.259 13.689 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.608 12.005 3.399 1.00 0.00 H new ATOM 862 N LYS A 422 12.291 9.863 1.487 1.00 0.00 N ATOM 863 CA LYS A 422 12.835 8.574 1.077 1.00 0.00 C ATOM 864 C LYS A 422 12.352 8.199 -0.320 1.00 0.00 C ATOM 865 O LYS A 422 13.153 7.900 -1.206 1.00 0.00 O ATOM 866 CB LYS A 422 12.432 7.486 2.076 1.00 0.00 C ATOM 867 CG LYS A 422 13.282 7.471 3.335 1.00 0.00 C ATOM 868 CD LYS A 422 14.683 6.954 3.055 1.00 0.00 C ATOM 869 CE LYS A 422 15.704 7.573 3.998 1.00 0.00 C ATOM 870 NZ LYS A 422 15.640 6.971 5.358 1.00 0.00 N ATOM 0 H LYS A 422 11.678 9.822 2.301 1.00 0.00 H new ATOM 0 HA LYS A 422 13.922 8.657 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.388 7.629 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.502 6.513 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.340 8.478 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.806 6.845 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.700 5.869 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.956 7.178 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 422 16.705 7.438 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 422 15.530 8.647 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.212 7.538 6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 14.653 6.954 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 16.011 6.000 5.326 1.00 0.00 H new ATOM 884 N VAL A 423 11.037 8.219 -0.512 1.00 0.00 N ATOM 885 CA VAL A 423 10.447 7.884 -1.803 1.00 0.00 C ATOM 886 C VAL A 423 11.031 8.749 -2.915 1.00 0.00 C ATOM 887 O VAL A 423 11.405 8.248 -3.976 1.00 0.00 O ATOM 888 CB VAL A 423 8.917 8.057 -1.783 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.310 7.594 -3.099 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.311 7.299 -0.612 1.00 0.00 C ATOM 0 H VAL A 423 10.360 8.464 0.210 1.00 0.00 H new ATOM 0 HA VAL A 423 10.684 6.838 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 423 8.690 9.116 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.228 7.724 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.722 8.185 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.545 6.541 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.229 7.432 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.546 6.239 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.723 7.682 0.322 1.00 0.00 H new ATOM 900 N LYS A 424 11.107 10.052 -2.665 1.00 0.00 N ATOM 901 CA LYS A 424 11.647 10.989 -3.643 1.00 0.00 C ATOM 902 C LYS A 424 12.974 10.487 -4.203 1.00 0.00 C ATOM 903 O LYS A 424 13.146 10.383 -5.417 1.00 0.00 O ATOM 904 CB LYS A 424 11.839 12.368 -3.007 1.00 0.00 C ATOM 905 CG LYS A 424 10.617 13.264 -3.119 1.00 0.00 C ATOM 906 CD LYS A 424 10.746 14.494 -2.236 1.00 0.00 C ATOM 907 CE LYS A 424 11.520 15.602 -2.934 1.00 0.00 C ATOM 908 NZ LYS A 424 11.870 16.707 -1.999 1.00 0.00 N ATOM 0 H LYS A 424 10.801 10.483 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 424 10.934 11.070 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 424 12.091 12.242 -1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.687 12.863 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 424 10.484 13.572 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 424 9.726 12.703 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 424 9.754 14.856 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 424 11.250 14.226 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 424 12.431 15.191 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 424 10.925 15.997 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 12.397 17.442 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 10.999 17.116 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 12.459 16.335 -1.227 1.00 0.00 H new ATOM 922 N GLU A 425 13.908 10.175 -3.309 1.00 0.00 N ATOM 923 CA GLU A 425 15.219 9.683 -3.716 1.00 0.00 C ATOM 924 C GLU A 425 15.087 8.435 -4.583 1.00 0.00 C ATOM 925 O GLU A 425 15.700 8.335 -5.646 1.00 0.00 O ATOM 926 CB GLU A 425 16.077 9.375 -2.487 1.00 0.00 C ATOM 927 CG GLU A 425 17.542 9.138 -2.810 1.00 0.00 C ATOM 928 CD GLU A 425 18.304 8.524 -1.652 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.392 9.173 -0.589 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.811 7.394 -1.809 1.00 0.00 O ATOM 0 H GLU A 425 13.781 10.254 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 425 15.705 10.462 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.999 10.203 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.677 8.493 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.617 8.482 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 425 18.007 10.085 -3.085 1.00 0.00 H new ATOM 937 N PHE A 426 14.282 7.483 -4.121 1.00 0.00 N ATOM 938 CA PHE A 426 14.070 6.240 -4.853 1.00 0.00 C ATOM 939 C PHE A 426 13.464 6.514 -6.226 1.00 0.00 C ATOM 940 O PHE A 426 13.705 5.775 -7.180 1.00 0.00 O ATOM 941 CB PHE A 426 13.156 5.305 -4.057 1.00 0.00 C ATOM 942 CG PHE A 426 12.575 4.191 -4.881 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.371 3.141 -5.308 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.233 4.195 -5.227 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.840 2.114 -6.066 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.697 3.170 -5.984 1.00 0.00 C ATOM 947 CZ PHE A 426 11.501 2.129 -6.405 1.00 0.00 C ATOM 0 H PHE A 426 13.766 7.549 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 426 15.038 5.759 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.720 4.877 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.343 5.887 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.419 3.124 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.600 5.007 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.471 1.301 -6.393 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.649 3.183 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.084 1.329 -6.998 1.00 0.00 H new ATOM 957 N GLU A 427 12.677 7.581 -6.318 1.00 0.00 N ATOM 958 CA GLU A 427 12.036 7.952 -7.574 1.00 0.00 C ATOM 959 C GLU A 427 13.044 8.574 -8.536 1.00 0.00 C ATOM 960 O GLU A 427 12.770 8.724 -9.727 1.00 0.00 O ATOM 961 CB GLU A 427 10.888 8.930 -7.317 1.00 0.00 C ATOM 962 CG GLU A 427 9.562 8.250 -7.026 1.00 0.00 C ATOM 963 CD GLU A 427 8.382 9.194 -7.150 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.236 9.823 -8.219 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.605 9.304 -6.179 1.00 0.00 O ATOM 0 H GLU A 427 12.468 8.204 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 427 11.636 7.046 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.150 9.571 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.772 9.577 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.428 7.415 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.585 7.834 -6.019 1.00 0.00 H new ATOM 972 N SER A 428 14.210 8.934 -8.010 1.00 0.00 N ATOM 973 CA SER A 428 15.258 9.544 -8.821 1.00 0.00 C ATOM 974 C SER A 428 15.694 8.606 -9.942 1.00 0.00 C ATOM 975 O SER A 428 15.738 8.993 -11.110 1.00 0.00 O ATOM 976 CB SER A 428 16.461 9.907 -7.948 1.00 0.00 C ATOM 977 OG SER A 428 17.259 10.901 -8.567 1.00 0.00 O ATOM 0 H SER A 428 14.453 8.814 -7.027 1.00 0.00 H new ATOM 0 HA SER A 428 14.854 10.452 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 428 16.116 10.265 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 428 17.062 9.017 -7.763 1.00 0.00 H new ATOM 0 HG SER A 428 18.020 11.117 -7.988 1.00 0.00 H new