USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 Set 1.1: A 240 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 281 ASN :FLIP amide:sc= -0.0771 F(o=-2.5!,f=-0.077) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -2.65! C(o=-2.6!,f=-10!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.116) USER MOD Single : A 255 THR OG1 : rot 9:sc= 1.2 USER MOD Single : A 266 LYS NZ :NH3+ -175:sc= 1.11 (180deg=1.04) USER MOD Single : A 268 THR OG1 : rot -28:sc= 0.629 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot 90:sc= -4.56! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.834 K(o=-0.8,f=-2.7!) USER MOD Single : A 290 THR OG1 : rot 180:sc=-0.00873 USER MOD Single : A 291 HIS :FLIP no HE2:sc= -0.861 F(o=-2,f=-0.86) USER MOD Single : A 297 GLN :FLIP amide:sc= -0.279 F(o=-0.92,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.072 -2.224 -8.519 1.00 0.40 N ATOM 263 CA PRO A 238 5.329 -2.199 -7.263 1.00 0.28 C ATOM 264 C PRO A 238 4.996 -3.546 -6.746 1.00 0.28 C ATOM 265 O PRO A 238 4.553 -4.445 -7.457 1.00 0.41 O ATOM 266 CB PRO A 238 4.081 -1.389 -7.571 1.00 0.25 C ATOM 267 CG PRO A 238 3.906 -1.484 -9.034 1.00 0.59 C ATOM 268 CD PRO A 238 5.286 -1.657 -9.618 1.00 0.43 C ATOM 0 HA PRO A 238 5.929 -1.760 -6.466 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.214 -1.787 -7.044 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.197 -0.352 -7.255 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.266 -2.327 -9.295 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.428 -0.587 -9.427 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.272 -2.321 -10.482 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.699 -0.706 -9.954 1.00 0.43 H new ATOM 276 N PHE A 239 5.220 -3.630 -5.470 1.00 0.24 N ATOM 277 CA PHE A 239 5.177 -4.872 -4.767 1.00 0.26 C ATOM 278 C PHE A 239 3.754 -5.158 -4.348 1.00 0.22 C ATOM 279 O PHE A 239 2.980 -4.229 -4.129 1.00 0.26 O ATOM 280 CB PHE A 239 6.082 -4.832 -3.535 1.00 0.38 C ATOM 281 CG PHE A 239 7.562 -4.866 -3.813 1.00 0.48 C ATOM 282 CD1 PHE A 239 8.068 -5.592 -4.875 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.450 -4.201 -2.985 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.423 -5.656 -5.111 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.811 -4.257 -3.217 1.00 0.79 C ATOM 286 CZ PHE A 239 10.298 -4.987 -4.282 1.00 0.78 C ATOM 0 H PHE A 239 5.440 -2.826 -4.882 1.00 0.24 H new ATOM 0 HA PHE A 239 5.535 -5.662 -5.427 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.857 -3.927 -2.971 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.831 -5.678 -2.895 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.389 -6.118 -5.530 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.075 -3.632 -2.148 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.800 -6.230 -5.945 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.493 -3.730 -2.566 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.361 -5.034 -4.465 1.00 0.78 H new ATOM 296 N TYR A 240 3.400 -6.418 -4.197 1.00 0.22 N ATOM 297 CA TYR A 240 2.072 -6.749 -3.813 1.00 0.21 C ATOM 298 C TYR A 240 2.080 -6.821 -2.324 1.00 0.19 C ATOM 299 O TYR A 240 3.146 -6.905 -1.721 1.00 0.23 O ATOM 300 CB TYR A 240 1.636 -8.086 -4.410 1.00 0.24 C ATOM 301 CG TYR A 240 0.700 -7.994 -5.598 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.065 -6.858 -5.843 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.543 -9.081 -6.450 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.948 -6.812 -6.897 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.334 -9.033 -7.516 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.079 -7.899 -7.733 1.00 0.69 C ATOM 307 OH TYR A 240 -1.963 -7.849 -8.787 1.00 0.88 O ATOM 0 H TYR A 240 4.021 -7.215 -4.337 1.00 0.22 H new ATOM 0 HA TYR A 240 1.366 -6.003 -4.178 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.527 -8.637 -4.713 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.149 -8.671 -3.630 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.036 -5.999 -5.196 1.00 0.43 H new ATOM 0 HD2 TYR A 240 1.117 -9.979 -6.275 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.538 -5.924 -7.069 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.434 -9.882 -8.176 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.934 -8.696 -9.279 1.00 0.88 H new ATOM 317 N ALA A 241 0.940 -6.750 -1.715 1.00 0.14 N ATOM 318 CA ALA A 241 0.896 -6.874 -0.304 1.00 0.15 C ATOM 319 C ALA A 241 -0.425 -7.375 0.179 1.00 0.11 C ATOM 320 O ALA A 241 -1.460 -6.822 -0.140 1.00 0.12 O ATOM 321 CB ALA A 241 1.260 -5.556 0.345 1.00 0.24 C ATOM 0 H ALA A 241 0.039 -6.608 -2.171 1.00 0.14 H new ATOM 0 HA ALA A 241 1.633 -7.622 -0.012 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.223 -5.662 1.429 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.267 -5.267 0.043 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.553 -4.788 0.031 1.00 0.24 H new ATOM 327 N ARG A 242 -0.388 -8.416 0.979 1.00 0.10 N ATOM 328 CA ARG A 242 -1.593 -8.992 1.473 1.00 0.08 C ATOM 329 C ARG A 242 -2.098 -8.114 2.593 1.00 0.08 C ATOM 330 O ARG A 242 -1.553 -8.116 3.697 1.00 0.11 O ATOM 331 CB ARG A 242 -1.328 -10.394 1.985 1.00 0.10 C ATOM 332 CG ARG A 242 -2.532 -11.067 2.667 1.00 0.10 C ATOM 333 CD ARG A 242 -3.504 -11.688 1.684 1.00 0.11 C ATOM 334 NE ARG A 242 -2.847 -12.494 0.656 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.460 -12.926 -0.448 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.748 -12.668 -0.635 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.795 -13.639 -1.351 1.00 0.43 N ATOM 0 H ARG A 242 0.468 -8.872 1.295 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.337 -9.058 0.679 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.006 -11.016 1.150 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.500 -10.357 2.693 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.172 -11.838 3.348 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -3.059 -10.329 3.272 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.212 -12.312 2.229 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.080 -10.897 1.204 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.866 -12.740 0.790 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.269 -12.140 0.065 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.217 -12.998 -1.479 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.810 -13.859 -1.202 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.269 -13.966 -2.193 1.00 0.43 H new ATOM 351 N VAL A 243 -3.102 -7.331 2.291 1.00 0.07 N ATOM 352 CA VAL A 243 -3.681 -6.459 3.256 1.00 0.08 C ATOM 353 C VAL A 243 -4.315 -7.297 4.336 1.00 0.11 C ATOM 354 O VAL A 243 -4.984 -8.268 4.036 1.00 0.14 O ATOM 355 CB VAL A 243 -4.739 -5.531 2.619 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.848 -6.310 1.938 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.315 -4.654 3.697 1.00 0.18 C ATOM 0 H VAL A 243 -3.534 -7.287 1.368 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.900 -5.824 3.674 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.254 -4.930 1.850 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.568 -5.615 1.505 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.424 -6.932 1.149 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.350 -6.943 2.669 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.065 -3.991 3.265 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.778 -5.276 4.463 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.520 -4.059 4.145 1.00 0.18 H new ATOM 367 N ILE A 244 -4.079 -6.961 5.586 1.00 0.12 N ATOM 368 CA ILE A 244 -4.718 -7.721 6.657 1.00 0.16 C ATOM 369 C ILE A 244 -5.311 -6.820 7.702 1.00 0.13 C ATOM 370 O ILE A 244 -5.660 -7.280 8.775 1.00 0.17 O ATOM 371 CB ILE A 244 -3.845 -8.797 7.368 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.654 -8.228 8.166 1.00 0.43 C ATOM 373 CG2 ILE A 244 -3.394 -9.850 6.395 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.822 -7.207 7.447 1.00 0.61 C ATOM 0 H ILE A 244 -3.474 -6.197 5.887 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.491 -8.271 6.120 1.00 0.16 H new ATOM 0 HB ILE A 244 -4.496 -9.254 8.114 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -3.035 -7.779 9.083 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.008 -9.055 8.460 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.786 -10.590 6.916 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -4.265 -10.339 5.958 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.804 -9.386 5.605 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -1.013 -6.873 8.097 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -1.402 -7.650 6.544 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -2.445 -6.355 7.177 1.00 0.61 H new ATOM 386 N GLN A 245 -5.432 -5.549 7.358 1.00 0.11 N ATOM 387 CA GLN A 245 -6.159 -4.568 8.164 1.00 0.12 C ATOM 388 C GLN A 245 -6.288 -3.291 7.375 1.00 0.11 C ATOM 389 O GLN A 245 -5.381 -2.471 7.306 1.00 0.12 O ATOM 390 CB GLN A 245 -5.497 -4.285 9.522 1.00 0.15 C ATOM 391 CG GLN A 245 -5.836 -5.307 10.595 1.00 0.21 C ATOM 392 CD GLN A 245 -5.493 -4.833 11.992 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.384 -5.050 12.481 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.445 -4.192 12.648 1.00 1.20 N ATOM 0 H GLN A 245 -5.027 -5.160 6.506 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.140 -4.989 8.387 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.415 -4.256 9.389 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.802 -3.297 9.865 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -6.900 -5.537 10.546 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.300 -6.233 10.389 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.350 -4.033 12.206 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.274 -3.857 13.596 1.00 1.20 H new ATOM 403 N LYS A 246 -7.402 -3.170 6.718 1.00 0.12 N ATOM 404 CA LYS A 246 -7.724 -1.989 5.966 1.00 0.12 C ATOM 405 C LYS A 246 -9.191 -1.686 6.206 1.00 0.15 C ATOM 406 O LYS A 246 -9.918 -2.541 6.715 1.00 0.19 O ATOM 407 CB LYS A 246 -7.395 -2.260 4.509 1.00 0.12 C ATOM 408 CG LYS A 246 -7.026 -1.053 3.620 1.00 0.13 C ATOM 409 CD LYS A 246 -5.722 -1.317 2.865 1.00 0.14 C ATOM 410 CE LYS A 246 -4.544 -0.852 3.633 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.273 -1.031 2.871 1.00 0.21 N ATOM 0 H LYS A 246 -8.121 -3.893 6.687 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.149 -1.114 6.270 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.565 -2.965 4.478 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.253 -2.758 4.058 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.830 -0.858 2.910 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -6.921 -0.160 4.236 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.627 -2.384 2.663 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.751 -0.811 1.900 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.669 0.201 3.887 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.484 -1.401 4.572 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.474 -0.693 3.444 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.139 -2.039 2.651 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.319 -0.486 1.986 1.00 0.21 H new ATOM 425 N ARG A 247 -9.629 -0.505 5.863 1.00 0.16 N ATOM 426 CA ARG A 247 -11.015 -0.154 6.003 1.00 0.16 C ATOM 427 C ARG A 247 -11.666 -0.446 4.672 1.00 0.14 C ATOM 428 O ARG A 247 -10.954 -0.758 3.719 1.00 0.14 O ATOM 429 CB ARG A 247 -11.149 1.326 6.376 1.00 0.17 C ATOM 430 CG ARG A 247 -10.775 2.285 5.258 1.00 0.18 C ATOM 431 CD ARG A 247 -10.630 3.722 5.747 1.00 0.23 C ATOM 432 NE ARG A 247 -11.773 4.564 5.376 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.713 4.981 6.219 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.741 4.534 7.461 1.00 1.63 N ATOM 435 NH2 ARG A 247 -13.641 5.832 5.804 1.00 0.63 N ATOM 0 H ARG A 247 -9.040 0.235 5.482 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.497 -0.724 6.797 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.178 1.521 6.679 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.518 1.530 7.241 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.838 1.962 4.805 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.536 2.245 4.479 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.520 3.723 6.831 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.718 4.152 5.333 1.00 0.23 H new ATOM 0 HE ARG A 247 -11.852 4.850 4.400 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.039 3.865 7.778 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.464 4.857 8.103 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -13.633 6.165 4.840 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.363 6.153 6.449 1.00 0.63 H new ATOM 449 N VAL A 248 -12.983 -0.445 4.593 1.00 0.15 N ATOM 450 CA VAL A 248 -13.606 -0.367 3.298 1.00 0.15 C ATOM 451 C VAL A 248 -13.934 1.088 2.998 1.00 0.14 C ATOM 452 O VAL A 248 -14.966 1.624 3.411 1.00 0.16 O ATOM 453 CB VAL A 248 -14.845 -1.276 3.158 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.764 -0.768 2.062 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.401 -2.690 2.835 1.00 0.21 C ATOM 0 H VAL A 248 -13.621 -0.496 5.387 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.899 -0.745 2.559 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.392 -1.267 4.101 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.631 -1.424 1.981 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.095 0.242 2.304 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.227 -0.757 1.113 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.276 -3.332 2.736 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.842 -2.691 1.899 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.765 -3.064 3.637 1.00 0.21 H new ATOM 465 N PRO A 249 -12.994 1.769 2.348 1.00 0.13 N ATOM 466 CA PRO A 249 -13.166 3.090 1.865 1.00 0.15 C ATOM 467 C PRO A 249 -13.538 3.061 0.400 1.00 0.16 C ATOM 468 O PRO A 249 -14.231 2.157 -0.071 1.00 0.17 O ATOM 469 CB PRO A 249 -11.767 3.697 2.050 1.00 0.16 C ATOM 470 CG PRO A 249 -10.821 2.534 2.107 1.00 0.14 C ATOM 471 CD PRO A 249 -11.661 1.305 2.030 1.00 0.13 C ATOM 0 HA PRO A 249 -13.953 3.647 2.373 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.518 4.364 1.224 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.715 4.288 2.964 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.110 2.571 1.282 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.240 2.550 3.029 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.621 0.856 1.037 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.324 0.547 2.736 1.00 0.13 H new ATOM 479 N ASN A 250 -13.077 4.058 -0.300 1.00 0.17 N ATOM 480 CA ASN A 250 -13.132 4.091 -1.737 1.00 0.20 C ATOM 481 C ASN A 250 -12.244 5.203 -2.221 1.00 0.21 C ATOM 482 O ASN A 250 -11.568 5.853 -1.427 1.00 0.19 O ATOM 483 CB ASN A 250 -14.550 4.271 -2.286 1.00 0.24 C ATOM 484 CG ASN A 250 -15.326 5.367 -1.588 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.240 6.528 -1.963 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.096 5.003 -0.575 1.00 1.28 N ATOM 0 H ASN A 250 -12.646 4.884 0.116 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.788 3.125 -2.106 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.494 4.496 -3.351 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.093 3.331 -2.187 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.646 5.702 -0.076 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.139 4.024 -0.294 1.00 1.28 H new ATOM 493 N ALA A 251 -12.230 5.418 -3.512 1.00 0.26 N ATOM 494 CA ALA A 251 -11.373 6.423 -4.077 1.00 0.31 C ATOM 495 C ALA A 251 -11.889 7.827 -3.781 1.00 0.37 C ATOM 496 O ALA A 251 -11.127 8.787 -3.759 1.00 0.42 O ATOM 497 CB ALA A 251 -11.231 6.194 -5.564 1.00 0.39 C ATOM 0 H ALA A 251 -12.801 4.911 -4.188 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.390 6.342 -3.613 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.580 6.958 -5.989 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.798 5.209 -5.741 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.212 6.249 -6.036 1.00 0.39 H new ATOM 503 N TYR A 252 -13.177 7.950 -3.538 1.00 0.39 N ATOM 504 CA TYR A 252 -13.748 9.227 -3.135 1.00 0.47 C ATOM 505 C TYR A 252 -13.358 9.504 -1.699 1.00 0.46 C ATOM 506 O TYR A 252 -13.169 10.647 -1.280 1.00 0.56 O ATOM 507 CB TYR A 252 -15.265 9.199 -3.240 1.00 0.57 C ATOM 508 CG TYR A 252 -15.795 8.932 -4.628 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.987 9.028 -5.755 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.122 8.588 -4.798 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.496 8.788 -7.017 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.641 8.345 -6.055 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.823 8.446 -7.160 1.00 1.98 C ATOM 514 OH TYR A 252 -17.338 8.206 -8.414 1.00 2.53 O ATOM 0 H TYR A 252 -13.850 7.187 -3.611 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.368 10.007 -3.795 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.648 8.433 -2.566 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.658 10.155 -2.893 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.946 9.294 -5.643 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.765 8.508 -3.934 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -14.858 8.868 -7.885 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.681 8.078 -6.171 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.288 7.976 -8.339 1.00 2.53 H new ATOM 524 N ASP A 253 -13.222 8.417 -0.970 1.00 0.40 N ATOM 525 CA ASP A 253 -12.894 8.429 0.424 1.00 0.43 C ATOM 526 C ASP A 253 -11.426 8.655 0.582 1.00 0.38 C ATOM 527 O ASP A 253 -10.675 7.707 0.815 1.00 0.34 O ATOM 528 CB ASP A 253 -13.205 7.057 0.974 1.00 0.44 C ATOM 529 CG ASP A 253 -13.908 7.065 2.317 1.00 0.56 C ATOM 530 OD1 ASP A 253 -15.135 7.298 2.351 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.244 6.805 3.344 1.00 0.88 O ATOM 0 H ASP A 253 -13.342 7.478 -1.350 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.453 9.211 0.938 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.827 6.523 0.255 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.274 6.497 1.068 1.00 0.44 H new ATOM 536 N LYS A 254 -11.016 9.903 0.442 1.00 0.43 N ATOM 537 CA LYS A 254 -9.637 10.289 0.673 1.00 0.41 C ATOM 538 C LYS A 254 -8.695 9.607 -0.304 1.00 0.31 C ATOM 539 O LYS A 254 -7.486 9.781 -0.225 1.00 0.28 O ATOM 540 CB LYS A 254 -9.280 9.913 2.096 1.00 0.45 C ATOM 541 CG LYS A 254 -10.307 10.435 3.067 1.00 0.60 C ATOM 542 CD LYS A 254 -10.150 9.856 4.458 1.00 0.74 C ATOM 543 CE LYS A 254 -11.055 8.648 4.655 1.00 0.79 C ATOM 544 NZ LYS A 254 -11.097 8.213 6.075 1.00 1.32 N ATOM 0 H LYS A 254 -11.626 10.673 0.167 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.531 11.363 0.520 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.211 8.829 2.183 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.299 10.316 2.347 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.231 11.521 3.120 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.304 10.204 2.693 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.112 9.566 4.619 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.388 10.617 5.201 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -12.063 8.891 4.320 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.702 7.825 4.033 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.988 7.708 6.257 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -10.295 7.580 6.268 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.038 9.046 6.695 1.00 1.32 H new ATOM 558 N THR A 255 -9.292 8.860 -1.225 1.00 0.28 N ATOM 559 CA THR A 255 -8.619 7.886 -2.048 1.00 0.22 C ATOM 560 C THR A 255 -7.975 6.878 -1.132 1.00 0.15 C ATOM 561 O THR A 255 -6.836 7.039 -0.694 1.00 0.14 O ATOM 562 CB THR A 255 -7.593 8.446 -3.087 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.564 9.222 -2.466 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.284 9.292 -4.139 1.00 0.55 C ATOM 0 H THR A 255 -10.291 8.925 -1.419 1.00 0.28 H new ATOM 0 HA THR A 255 -9.381 7.435 -2.684 1.00 0.22 H new ATOM 0 HB THR A 255 -7.134 7.578 -3.560 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.626 9.128 -1.492 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.545 9.667 -4.847 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.019 8.686 -4.669 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.785 10.132 -3.659 1.00 0.55 H new ATOM 572 N ALA A 256 -8.796 5.941 -0.706 1.00 0.13 N ATOM 573 CA ALA A 256 -8.354 4.870 0.146 1.00 0.11 C ATOM 574 C ALA A 256 -8.682 3.478 -0.450 1.00 0.10 C ATOM 575 O ALA A 256 -9.521 3.358 -1.345 1.00 0.12 O ATOM 576 CB ALA A 256 -8.943 5.078 1.523 1.00 0.13 C ATOM 0 H ALA A 256 -9.787 5.905 -0.944 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.267 4.889 0.225 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.618 4.274 2.183 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.605 6.034 1.922 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.031 5.076 1.457 1.00 0.13 H new ATOM 582 N LEU A 257 -8.038 2.429 0.075 1.00 0.10 N ATOM 583 CA LEU A 257 -8.153 1.061 -0.476 1.00 0.09 C ATOM 584 C LEU A 257 -9.337 0.298 0.035 1.00 0.09 C ATOM 585 O LEU A 257 -9.376 -0.059 1.208 1.00 0.11 O ATOM 586 CB LEU A 257 -6.918 0.217 -0.139 1.00 0.11 C ATOM 587 CG LEU A 257 -5.721 0.434 -1.011 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.115 0.603 -2.460 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.940 1.625 -0.501 1.00 0.21 C ATOM 0 H LEU A 257 -7.425 2.496 0.888 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.260 1.216 -1.550 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.633 0.421 0.893 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.196 -0.836 -0.191 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.084 -0.449 -0.965 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.221 0.759 -3.064 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.634 -0.292 -2.803 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.775 1.465 -2.560 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.067 1.786 -1.134 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.573 2.512 -0.524 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.616 1.436 0.523 1.00 0.21 H new ATOM 601 N ALA A 258 -10.254 -0.037 -0.860 1.00 0.10 N ATOM 602 CA ALA A 258 -11.379 -0.856 -0.474 1.00 0.11 C ATOM 603 C ALA A 258 -11.041 -2.310 -0.622 1.00 0.11 C ATOM 604 O ALA A 258 -11.122 -2.884 -1.704 1.00 0.14 O ATOM 605 CB ALA A 258 -12.585 -0.529 -1.293 1.00 0.14 C ATOM 0 H ALA A 258 -10.238 0.243 -1.841 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.605 -0.646 0.572 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.418 -1.160 -0.982 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.850 0.519 -1.149 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.369 -0.707 -2.346 1.00 0.14 H new ATOM 611 N LEU A 259 -10.632 -2.886 0.471 1.00 0.10 N ATOM 612 CA LEU A 259 -10.312 -4.288 0.517 1.00 0.12 C ATOM 613 C LEU A 259 -10.424 -4.764 1.960 1.00 0.12 C ATOM 614 O LEU A 259 -10.559 -3.947 2.872 1.00 0.12 O ATOM 615 CB LEU A 259 -8.904 -4.515 -0.063 1.00 0.14 C ATOM 616 CG LEU A 259 -8.028 -3.285 0.061 1.00 0.11 C ATOM 617 CD1 LEU A 259 -7.808 -3.004 1.492 1.00 0.49 C ATOM 618 CD2 LEU A 259 -6.700 -3.417 -0.624 1.00 0.55 C ATOM 0 H LEU A 259 -10.510 -2.398 1.358 1.00 0.10 H new ATOM 0 HA LEU A 259 -11.008 -4.867 -0.089 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.430 -5.350 0.454 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.986 -4.796 -1.113 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.553 -2.469 -0.436 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -7.178 -2.120 1.597 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -8.767 -2.826 1.979 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -7.316 -3.857 1.959 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -6.129 -2.498 -0.492 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -6.149 -4.252 -0.191 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -6.856 -3.597 -1.688 1.00 0.55 H new ATOM 630 N GLU A 260 -10.380 -6.055 2.175 1.00 0.15 N ATOM 631 CA GLU A 260 -10.590 -6.592 3.509 1.00 0.16 C ATOM 632 C GLU A 260 -9.295 -7.137 4.077 1.00 0.15 C ATOM 633 O GLU A 260 -8.310 -7.308 3.368 1.00 0.16 O ATOM 634 CB GLU A 260 -11.685 -7.673 3.469 1.00 0.21 C ATOM 635 CG GLU A 260 -11.676 -8.677 4.614 1.00 0.23 C ATOM 636 CD GLU A 260 -13.070 -9.007 5.095 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.741 -9.849 4.464 1.00 0.92 O ATOM 638 OE2 GLU A 260 -13.510 -8.411 6.097 1.00 0.75 O ATOM 0 H GLU A 260 -10.203 -6.754 1.454 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.923 -5.790 4.168 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.656 -7.178 3.454 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.592 -8.221 2.531 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.180 -9.591 4.289 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -11.093 -8.275 5.443 1.00 0.23 H new ATOM 645 N VAL A 261 -9.277 -7.326 5.366 1.00 0.16 N ATOM 646 CA VAL A 261 -8.256 -8.107 6.001 1.00 0.16 C ATOM 647 C VAL A 261 -8.084 -9.467 5.325 1.00 0.17 C ATOM 648 O VAL A 261 -9.013 -10.274 5.283 1.00 0.21 O ATOM 649 CB VAL A 261 -8.628 -8.339 7.455 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.671 -9.328 8.094 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.666 -7.011 8.156 1.00 0.18 C ATOM 0 H VAL A 261 -9.972 -6.942 6.007 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.320 -7.555 5.921 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.618 -8.787 7.536 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.951 -9.484 9.136 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.718 -10.277 7.560 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.656 -8.935 8.046 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.932 -7.159 9.203 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.686 -6.539 8.094 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.408 -6.370 7.681 1.00 0.18 H new ATOM 661 N GLY A 262 -6.901 -9.710 4.800 1.00 0.17 N ATOM 662 CA GLY A 262 -6.617 -10.982 4.184 1.00 0.18 C ATOM 663 C GLY A 262 -6.709 -10.906 2.694 1.00 0.17 C ATOM 664 O GLY A 262 -6.524 -11.896 1.985 1.00 0.19 O ATOM 0 H GLY A 262 -6.127 -9.046 4.789 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.618 -11.311 4.471 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.317 -11.731 4.554 1.00 0.18 H new ATOM 668 N GLU A 263 -7.024 -9.729 2.227 1.00 0.16 N ATOM 669 CA GLU A 263 -7.078 -9.448 0.831 1.00 0.17 C ATOM 670 C GLU A 263 -5.716 -8.988 0.366 1.00 0.13 C ATOM 671 O GLU A 263 -4.722 -9.252 1.019 1.00 0.11 O ATOM 672 CB GLU A 263 -8.160 -8.414 0.666 1.00 0.18 C ATOM 673 CG GLU A 263 -9.450 -8.942 1.252 1.00 0.21 C ATOM 674 CD GLU A 263 -10.334 -9.611 0.225 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.998 -8.890 -0.548 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.391 -10.855 0.209 1.00 0.75 O ATOM 0 H GLU A 263 -7.253 -8.931 2.820 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.319 -10.315 0.217 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.873 -7.488 1.164 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.296 -8.179 -0.390 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.218 -9.655 2.044 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.997 -8.120 1.714 1.00 0.21 H new ATOM 683 N LEU A 264 -5.659 -8.303 -0.729 1.00 0.17 N ATOM 684 CA LEU A 264 -4.384 -7.939 -1.307 1.00 0.18 C ATOM 685 C LEU A 264 -4.459 -6.521 -1.813 1.00 0.17 C ATOM 686 O LEU A 264 -5.513 -6.035 -2.200 1.00 0.31 O ATOM 687 CB LEU A 264 -4.108 -8.932 -2.427 1.00 0.48 C ATOM 688 CG LEU A 264 -2.700 -9.051 -3.048 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.316 -7.814 -3.798 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.641 -9.359 -2.019 1.00 0.83 C ATOM 0 H LEU A 264 -6.474 -7.979 -1.250 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.573 -7.979 -0.580 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.378 -9.920 -2.053 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.797 -8.699 -3.239 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.755 -9.887 -3.745 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.319 -7.939 -4.219 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.031 -7.640 -4.602 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.319 -6.961 -3.119 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.669 -9.432 -2.508 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.614 -8.563 -1.275 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.873 -10.305 -1.530 1.00 0.83 H new ATOM 702 N VAL A 265 -3.333 -5.882 -1.771 1.00 0.19 N ATOM 703 CA VAL A 265 -3.182 -4.521 -2.186 1.00 0.19 C ATOM 704 C VAL A 265 -1.857 -4.408 -2.907 1.00 0.24 C ATOM 705 O VAL A 265 -1.020 -5.289 -2.791 1.00 0.47 O ATOM 706 CB VAL A 265 -3.192 -3.580 -0.961 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.840 -3.501 -0.286 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.594 -2.190 -1.309 1.00 0.27 C ATOM 0 H VAL A 265 -2.467 -6.304 -1.437 1.00 0.19 H new ATOM 0 HA VAL A 265 -4.005 -4.233 -2.840 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.925 -4.019 -0.285 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.899 -2.827 0.569 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.544 -4.494 0.054 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.101 -3.125 -0.994 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.584 -1.573 -0.411 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.895 -1.781 -2.039 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.598 -2.197 -1.733 1.00 0.27 H new ATOM 718 N LYS A 266 -1.662 -3.366 -3.660 1.00 0.14 N ATOM 719 CA LYS A 266 -0.365 -3.116 -4.224 1.00 0.15 C ATOM 720 C LYS A 266 0.040 -1.713 -3.898 1.00 0.32 C ATOM 721 O LYS A 266 -0.806 -0.875 -3.669 1.00 0.74 O ATOM 722 CB LYS A 266 -0.352 -3.351 -5.731 1.00 0.26 C ATOM 723 CG LYS A 266 1.074 -3.515 -6.237 1.00 0.42 C ATOM 724 CD LYS A 266 1.251 -3.244 -7.724 1.00 0.57 C ATOM 725 CE LYS A 266 0.481 -4.216 -8.605 1.00 0.96 C ATOM 726 NZ LYS A 266 1.352 -5.309 -9.122 1.00 1.84 N ATOM 0 H LYS A 266 -2.377 -2.679 -3.898 1.00 0.14 H new ATOM 0 HA LYS A 266 0.350 -3.815 -3.791 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.933 -4.242 -5.970 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -0.829 -2.513 -6.239 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.724 -2.842 -5.678 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.407 -4.531 -6.023 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.924 -2.228 -7.943 1.00 0.57 H new ATOM 0 HD3 LYS A 266 2.311 -3.299 -7.973 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.343 -4.647 -8.036 1.00 0.96 H new ATOM 0 HE3 LYS A 266 0.041 -3.676 -9.443 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 0.811 -5.900 -9.784 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 2.170 -4.897 -9.615 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 1.684 -5.893 -8.328 1.00 1.84 H new ATOM 740 N VAL A 267 1.317 -1.470 -3.767 1.00 0.14 N ATOM 741 CA VAL A 267 1.758 -0.121 -3.611 1.00 0.16 C ATOM 742 C VAL A 267 2.500 0.331 -4.854 1.00 0.20 C ATOM 743 O VAL A 267 3.601 -0.125 -5.162 1.00 0.23 O ATOM 744 CB VAL A 267 2.595 0.091 -2.349 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.875 -0.725 -2.369 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.856 1.570 -2.197 1.00 0.22 C ATOM 0 H VAL A 267 2.053 -2.176 -3.766 1.00 0.14 H new ATOM 0 HA VAL A 267 0.870 0.499 -3.485 1.00 0.16 H new ATOM 0 HB VAL A 267 2.043 -0.267 -1.480 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.437 -0.543 -1.453 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.630 -1.785 -2.439 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.478 -0.434 -3.229 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.453 1.744 -1.301 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.397 1.936 -3.070 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.907 2.100 -2.110 1.00 0.22 H new ATOM 756 N THR A 268 1.867 1.254 -5.543 1.00 0.21 N ATOM 757 CA THR A 268 2.252 1.670 -6.861 1.00 0.24 C ATOM 758 C THR A 268 2.488 3.173 -6.915 1.00 0.24 C ATOM 759 O THR A 268 2.900 3.709 -7.942 1.00 0.35 O ATOM 760 CB THR A 268 1.114 1.325 -7.836 1.00 0.26 C ATOM 761 OG1 THR A 268 1.404 1.813 -9.153 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.191 1.930 -7.323 1.00 0.24 C ATOM 0 H THR A 268 1.048 1.746 -5.186 1.00 0.21 H new ATOM 0 HA THR A 268 3.176 1.158 -7.131 1.00 0.24 H new ATOM 0 HB THR A 268 1.015 0.241 -7.894 1.00 0.26 H new ATOM 0 HG1 THR A 268 1.980 2.603 -9.090 1.00 0.31 H new ATOM 0 HG21 THR A 268 -1.000 1.687 -8.012 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.419 1.522 -6.338 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.087 3.013 -7.252 1.00 0.24 H new ATOM 770 N LYS A 269 2.216 3.862 -5.825 1.00 0.20 N ATOM 771 CA LYS A 269 2.272 5.297 -5.834 1.00 0.23 C ATOM 772 C LYS A 269 3.255 5.763 -4.790 1.00 0.28 C ATOM 773 O LYS A 269 3.045 5.583 -3.604 1.00 0.45 O ATOM 774 CB LYS A 269 0.893 5.877 -5.543 1.00 0.25 C ATOM 775 CG LYS A 269 0.785 7.382 -5.739 1.00 0.49 C ATOM 776 CD LYS A 269 1.139 7.802 -7.156 1.00 0.59 C ATOM 777 CE LYS A 269 2.436 8.594 -7.187 1.00 0.49 C ATOM 778 NZ LYS A 269 2.832 8.962 -8.573 1.00 1.40 N ATOM 0 H LYS A 269 1.956 3.448 -4.930 1.00 0.20 H new ATOM 0 HA LYS A 269 2.595 5.639 -6.817 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.164 5.387 -6.188 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.622 5.637 -4.515 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.230 7.705 -5.509 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.447 7.887 -5.036 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.234 6.918 -7.787 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.332 8.405 -7.572 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.322 9.499 -6.590 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.231 8.006 -6.727 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.721 9.501 -8.549 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 2.966 8.098 -9.137 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.086 9.545 -9.004 1.00 1.40 H new ATOM 792 N ILE A 270 4.347 6.316 -5.226 1.00 0.31 N ATOM 793 CA ILE A 270 5.283 6.895 -4.297 1.00 0.34 C ATOM 794 C ILE A 270 5.123 8.410 -4.267 1.00 0.38 C ATOM 795 O ILE A 270 5.544 9.114 -5.185 1.00 0.42 O ATOM 796 CB ILE A 270 6.751 6.516 -4.603 1.00 0.39 C ATOM 797 CG1 ILE A 270 6.881 5.693 -5.893 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.326 5.728 -3.439 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.601 6.452 -7.176 1.00 1.44 C ATOM 0 H ILE A 270 4.614 6.381 -6.208 1.00 0.31 H new ATOM 0 HA ILE A 270 5.051 6.481 -3.316 1.00 0.34 H new ATOM 0 HB ILE A 270 7.307 7.443 -4.745 1.00 0.39 H new ATOM 0 HG12 ILE A 270 7.891 5.285 -5.944 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.198 4.846 -5.835 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.360 5.461 -3.656 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.290 6.336 -2.535 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.741 4.820 -3.290 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.720 5.783 -8.028 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.581 6.837 -7.156 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.301 7.283 -7.267 1.00 1.44 H new ATOM 877 N TRP A 276 2.159 6.350 1.617 1.00 0.41 N ATOM 878 CA TRP A 276 2.085 6.386 0.173 1.00 0.33 C ATOM 879 C TRP A 276 0.797 5.731 -0.300 1.00 0.23 C ATOM 880 O TRP A 276 -0.021 5.309 0.518 1.00 0.22 O ATOM 881 CB TRP A 276 3.322 5.703 -0.436 1.00 0.41 C ATOM 882 CG TRP A 276 4.595 5.910 0.366 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.900 5.357 1.576 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.720 6.722 0.022 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.124 5.788 2.012 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.651 6.627 1.073 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.026 7.522 -1.064 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.859 7.309 1.056 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.227 8.200 -1.084 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.131 8.091 -0.029 1.00 0.82 C ATOM 0 HA TRP A 276 2.076 7.423 -0.163 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.129 4.634 -0.523 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.475 6.083 -1.446 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.262 4.673 2.116 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.568 5.526 2.892 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.333 7.615 -1.887 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.560 7.224 1.873 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.471 8.825 -1.930 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.063 8.635 -0.071 1.00 0.82 H new ATOM 901 N GLU A 277 0.616 5.655 -1.609 1.00 0.19 N ATOM 902 CA GLU A 277 -0.618 5.197 -2.180 1.00 0.16 C ATOM 903 C GLU A 277 -0.429 3.862 -2.827 1.00 0.19 C ATOM 904 O GLU A 277 0.684 3.400 -2.986 1.00 0.48 O ATOM 905 CB GLU A 277 -1.163 6.231 -3.156 1.00 0.15 C ATOM 906 CG GLU A 277 -2.021 7.259 -2.467 1.00 0.23 C ATOM 907 CD GLU A 277 -2.378 8.444 -3.338 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.789 8.241 -4.500 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.257 9.586 -2.856 1.00 0.92 O ATOM 0 H GLU A 277 1.326 5.911 -2.295 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.356 5.073 -1.387 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.333 6.729 -3.658 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.747 5.729 -3.927 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.940 6.782 -2.126 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.499 7.617 -1.579 1.00 0.23 H new ATOM 916 N GLY A 278 -1.530 3.255 -3.160 1.00 0.39 N ATOM 917 CA GLY A 278 -1.535 1.923 -3.655 1.00 0.34 C ATOM 918 C GLY A 278 -2.647 1.738 -4.649 1.00 0.28 C ATOM 919 O GLY A 278 -3.435 2.655 -4.880 1.00 0.32 O ATOM 0 H GLY A 278 -2.455 3.680 -3.093 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.577 1.699 -4.125 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.656 1.222 -2.829 1.00 0.34 H new ATOM 923 N GLU A 279 -2.717 0.564 -5.218 1.00 0.22 N ATOM 924 CA GLU A 279 -3.774 0.210 -6.113 1.00 0.18 C ATOM 925 C GLU A 279 -4.067 -1.262 -5.936 1.00 0.13 C ATOM 926 O GLU A 279 -3.238 -2.126 -6.219 1.00 0.14 O ATOM 927 CB GLU A 279 -3.427 0.486 -7.566 1.00 0.25 C ATOM 928 CG GLU A 279 -4.644 0.394 -8.458 1.00 0.27 C ATOM 929 CD GLU A 279 -4.310 0.317 -9.929 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.278 -0.288 -10.279 1.00 0.99 O ATOM 931 OE2 GLU A 279 -5.098 0.822 -10.742 1.00 1.08 O ATOM 0 H GLU A 279 -2.033 -0.177 -5.068 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.644 0.822 -5.873 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.986 1.479 -7.653 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.674 -0.227 -7.902 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.223 -0.486 -8.179 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -5.279 1.262 -8.283 1.00 0.27 H new ATOM 938 N CYS A 280 -5.225 -1.526 -5.421 1.00 0.10 N ATOM 939 CA CYS A 280 -5.681 -2.876 -5.214 1.00 0.12 C ATOM 940 C CYS A 280 -6.658 -3.255 -6.298 1.00 0.15 C ATOM 941 O CYS A 280 -7.853 -3.042 -6.147 1.00 0.19 O ATOM 942 CB CYS A 280 -6.373 -2.954 -3.867 1.00 0.17 C ATOM 943 SG CYS A 280 -7.425 -4.392 -3.636 1.00 1.52 S ATOM 0 H CYS A 280 -5.890 -0.811 -5.128 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.833 -3.560 -5.242 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -5.614 -2.948 -3.085 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -6.976 -2.056 -3.733 1.00 0.17 H new ATOM 0 HG CYS A 280 -6.727 -5.362 -3.125 1.00 1.52 H new ATOM 949 N ASN A 281 -6.146 -3.804 -7.388 1.00 0.18 N ATOM 950 CA ASN A 281 -6.989 -4.278 -8.484 1.00 0.25 C ATOM 951 C ASN A 281 -8.095 -3.267 -8.814 1.00 0.23 C ATOM 952 O ASN A 281 -9.207 -3.638 -9.176 1.00 0.32 O ATOM 953 CB ASN A 281 -7.589 -5.651 -8.144 1.00 0.33 C ATOM 954 CG ASN A 281 -6.568 -6.782 -8.188 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.311 -6.488 -7.870 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -6.908 -7.924 -8.505 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.146 -3.935 -7.541 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.363 -4.383 -9.370 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.033 -5.610 -7.149 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.395 -5.871 -8.844 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -7.880 -8.119 -8.744 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.217 -8.674 -8.528 1.00 0.69 H new ATOM 963 N GLY A 282 -7.754 -1.983 -8.716 1.00 0.17 N ATOM 964 CA GLY A 282 -8.683 -0.934 -9.066 1.00 0.18 C ATOM 965 C GLY A 282 -9.216 -0.136 -7.883 1.00 0.16 C ATOM 966 O GLY A 282 -10.036 0.765 -8.069 1.00 0.28 O ATOM 0 H GLY A 282 -6.842 -1.655 -8.397 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.193 -0.249 -9.758 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.525 -1.376 -9.598 1.00 0.18 H new ATOM 970 N LYS A 283 -8.762 -0.435 -6.667 1.00 0.10 N ATOM 971 CA LYS A 283 -8.882 0.534 -5.594 1.00 0.10 C ATOM 972 C LYS A 283 -7.575 1.248 -5.512 1.00 0.09 C ATOM 973 O LYS A 283 -6.535 0.663 -5.787 1.00 0.12 O ATOM 974 CB LYS A 283 -9.158 -0.028 -4.191 1.00 0.11 C ATOM 975 CG LYS A 283 -10.389 -0.902 -4.045 1.00 0.15 C ATOM 976 CD LYS A 283 -10.218 -2.252 -4.712 1.00 0.14 C ATOM 977 CE LYS A 283 -11.516 -3.016 -4.754 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.469 -4.161 -5.700 1.00 0.38 N ATOM 0 H LYS A 283 -8.320 -1.318 -6.410 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.746 1.149 -5.847 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.289 -0.607 -3.878 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.250 0.809 -3.499 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.606 -1.047 -2.987 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.248 -0.391 -4.479 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.844 -2.113 -5.726 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.470 -2.833 -4.173 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.751 -3.383 -3.755 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.322 -2.342 -5.044 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.384 -4.655 -5.693 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.272 -3.811 -6.659 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.718 -4.820 -5.411 1.00 0.38 H new ATOM 992 N ARG A 284 -7.618 2.485 -5.123 1.00 0.07 N ATOM 993 CA ARG A 284 -6.418 3.241 -4.925 1.00 0.09 C ATOM 994 C ARG A 284 -6.533 4.020 -3.652 1.00 0.11 C ATOM 995 O ARG A 284 -7.634 4.356 -3.230 1.00 0.13 O ATOM 996 CB ARG A 284 -6.165 4.171 -6.077 1.00 0.11 C ATOM 997 CG ARG A 284 -6.118 3.398 -7.351 1.00 0.20 C ATOM 998 CD ARG A 284 -5.190 4.035 -8.355 1.00 0.35 C ATOM 999 NE ARG A 284 -5.172 3.323 -9.628 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.053 3.922 -10.813 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -4.981 5.242 -10.895 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -4.998 3.193 -11.911 1.00 1.46 N ATOM 0 H ARG A 284 -8.480 2.997 -4.935 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.576 2.551 -4.863 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.951 4.924 -6.127 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.224 4.701 -5.928 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.789 2.379 -7.147 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.121 3.331 -7.773 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.496 5.067 -8.524 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.181 4.065 -7.945 1.00 0.35 H new ATOM 0 HE ARG A 284 -5.255 2.307 -9.610 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -5.016 5.808 -10.047 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -4.890 5.692 -11.806 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -5.047 2.176 -11.851 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -4.907 3.646 -12.820 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.420 4.324 -3.053 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.469 5.026 -1.803 1.00 0.14 C ATOM 1018 C GLY A 285 -4.220 4.897 -0.979 1.00 0.15 C ATOM 1019 O GLY A 285 -3.335 4.141 -1.317 1.00 0.24 O ATOM 0 H GLY A 285 -4.486 4.104 -3.399 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.655 6.082 -1.998 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.314 4.655 -1.223 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.171 5.602 0.133 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.970 5.682 0.928 1.00 0.12 C ATOM 1025 C HIS A 286 -3.196 5.095 2.282 1.00 0.12 C ATOM 1026 O HIS A 286 -4.227 5.333 2.901 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.496 7.129 1.066 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.606 8.138 1.151 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.485 8.216 2.212 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.983 9.104 0.282 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.357 9.184 1.987 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -5.071 9.739 0.826 1.00 0.23 N ATOM 0 H HIS A 286 -4.959 6.131 0.506 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.196 5.110 0.416 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.876 7.212 1.959 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.862 7.374 0.214 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.515 9.333 -0.664 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.166 9.471 2.643 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.577 10.516 0.400 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.195 4.374 2.742 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.315 3.527 3.913 1.00 0.11 C ATOM 1043 C PHE A 287 -0.950 2.952 4.273 1.00 0.15 C ATOM 1044 O PHE A 287 -0.341 2.272 3.455 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.262 2.359 3.624 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.740 2.619 3.775 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.251 3.448 4.764 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.620 2.012 2.903 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.614 3.658 4.867 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.977 2.217 2.999 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.476 3.042 3.982 1.00 0.12 C ATOM 0 H PHE A 287 -1.270 4.358 2.313 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.704 4.128 4.735 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.081 2.021 2.604 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.994 1.535 4.285 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.580 3.932 5.458 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.236 1.363 2.130 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.004 4.304 5.640 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.649 1.732 2.306 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.540 3.207 4.061 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.450 3.216 5.489 1.00 0.17 N ATOM 1062 CA PRO A 288 0.843 2.699 5.954 1.00 0.23 C ATOM 1063 C PRO A 288 0.959 1.178 5.882 1.00 0.18 C ATOM 1064 O PRO A 288 -0.028 0.455 5.717 1.00 0.16 O ATOM 1065 CB PRO A 288 0.910 3.165 7.416 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.490 3.520 7.766 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.063 4.074 6.504 1.00 0.23 C ATOM 0 HA PRO A 288 1.656 3.063 5.326 1.00 0.23 H new ATOM 0 HB2 PRO A 288 1.292 2.377 8.065 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.575 4.021 7.528 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.048 2.647 8.105 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.524 4.253 8.572 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.151 4.011 6.488 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -0.802 5.123 6.363 1.00 0.23 H new ATOM 1075 N PHE A 289 2.185 0.711 6.010 1.00 0.23 N ATOM 1076 CA PHE A 289 2.495 -0.717 5.982 1.00 0.26 C ATOM 1077 C PHE A 289 2.054 -1.405 7.264 1.00 0.23 C ATOM 1078 O PHE A 289 2.022 -2.633 7.343 1.00 0.26 O ATOM 1079 CB PHE A 289 3.992 -0.925 5.763 1.00 0.38 C ATOM 1080 CG PHE A 289 4.497 -2.303 6.085 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.438 -3.301 5.144 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.031 -2.590 7.326 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.909 -4.570 5.424 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.499 -3.855 7.618 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.438 -4.848 6.666 1.00 0.26 C ATOM 0 H PHE A 289 3.002 1.308 6.137 1.00 0.23 H new ATOM 0 HA PHE A 289 1.945 -1.164 5.154 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.225 -0.703 4.722 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.536 -0.204 6.372 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.018 -3.092 4.171 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.083 -1.815 8.077 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.863 -5.343 4.671 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.913 -4.066 8.593 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.803 -5.839 6.891 1.00 0.26 H new ATOM 1095 N THR A 290 1.673 -0.606 8.244 1.00 0.24 N ATOM 1096 CA THR A 290 1.300 -1.092 9.563 1.00 0.27 C ATOM 1097 C THR A 290 0.158 -2.120 9.541 1.00 0.23 C ATOM 1098 O THR A 290 -0.263 -2.605 10.591 1.00 0.28 O ATOM 1099 CB THR A 290 0.903 0.093 10.450 1.00 0.36 C ATOM 1100 OG1 THR A 290 0.025 0.964 9.724 1.00 0.62 O ATOM 1101 CG2 THR A 290 2.131 0.865 10.907 1.00 0.44 C ATOM 0 H THR A 290 1.613 0.408 8.147 1.00 0.24 H new ATOM 0 HA THR A 290 2.174 -1.606 9.964 1.00 0.27 H new ATOM 0 HB THR A 290 0.392 -0.291 11.333 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.229 1.720 10.293 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.822 1.701 11.535 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.785 0.205 11.477 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.667 1.244 10.037 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.329 -2.475 8.354 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.440 -3.396 8.248 1.00 0.16 C ATOM 1111 C HIS A 291 -1.433 -4.095 6.905 1.00 0.14 C ATOM 1112 O HIS A 291 -2.488 -4.411 6.345 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.790 -2.718 8.495 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.907 -1.277 8.098 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.496 -0.241 8.736 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.474 -0.779 6.891 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.423 0.851 7.908 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.802 0.497 6.804 1.00 0.77 N flip ATOM 0 H HIS A 291 0.031 -2.137 7.461 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.308 -4.140 9.034 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.555 -3.281 7.960 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -3.020 -2.797 9.557 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -3.918 -0.266 9.664 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.949 -1.343 6.134 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -3.810 1.835 8.126 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.240 -4.313 6.378 1.00 0.16 N ATOM 1128 CA VAL A 292 -0.058 -5.188 5.237 1.00 0.15 C ATOM 1129 C VAL A 292 1.095 -6.110 5.445 1.00 0.19 C ATOM 1130 O VAL A 292 2.105 -5.780 6.063 1.00 0.22 O ATOM 1131 CB VAL A 292 0.169 -4.399 3.941 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -1.069 -3.633 3.570 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.334 -3.455 4.100 1.00 0.31 C ATOM 0 H VAL A 292 0.621 -3.892 6.727 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.978 -5.765 5.142 1.00 0.15 H new ATOM 0 HB VAL A 292 0.395 -5.105 3.142 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.891 -3.079 2.648 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.896 -4.328 3.422 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.319 -2.936 4.370 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.483 -2.902 3.173 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.128 -2.756 4.910 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.234 -4.024 4.332 1.00 0.31 H new ATOM 1143 N ARG A 293 0.871 -7.284 4.955 1.00 0.22 N ATOM 1144 CA ARG A 293 1.903 -8.234 4.728 1.00 0.21 C ATOM 1145 C ARG A 293 2.278 -7.980 3.304 1.00 0.32 C ATOM 1146 O ARG A 293 1.498 -7.363 2.612 1.00 0.70 O ATOM 1147 CB ARG A 293 1.364 -9.641 4.860 1.00 0.19 C ATOM 1148 CG ARG A 293 0.099 -9.763 5.676 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.596 -11.038 5.316 1.00 0.26 C ATOM 1150 NE ARG A 293 0.087 -12.217 5.848 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.519 -13.357 6.174 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.837 -13.471 6.066 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.198 -14.384 6.613 1.00 0.60 N ATOM 0 H ARG A 293 -0.058 -7.615 4.696 1.00 0.22 H new ATOM 0 HA ARG A 293 2.731 -8.143 5.431 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.175 -10.037 3.862 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.133 -10.268 5.312 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.336 -9.751 6.740 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.555 -8.912 5.485 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.617 -11.011 5.696 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.662 -11.119 4.231 1.00 0.26 H new ATOM 0 HE ARG A 293 1.097 -12.162 5.978 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.391 -12.683 5.732 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.295 -14.347 6.317 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.211 -14.299 6.700 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.264 -15.258 6.863 1.00 0.60 H new ATOM 1167 N LEU A 294 3.430 -8.356 2.846 1.00 0.18 N ATOM 1168 CA LEU A 294 3.677 -8.174 1.431 1.00 0.18 C ATOM 1169 C LEU A 294 3.865 -9.463 0.659 1.00 0.21 C ATOM 1170 O LEU A 294 4.003 -10.557 1.210 1.00 0.30 O ATOM 1171 CB LEU A 294 4.863 -7.277 1.146 1.00 0.22 C ATOM 1172 CG LEU A 294 5.089 -6.108 2.101 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.234 -5.254 1.609 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.836 -5.270 2.245 1.00 0.58 C ATOM 0 H LEU A 294 4.187 -8.771 3.389 1.00 0.18 H new ATOM 0 HA LEU A 294 2.761 -7.696 1.084 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.762 -7.893 1.145 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.751 -6.876 0.139 1.00 0.22 H new ATOM 0 HG LEU A 294 5.338 -6.512 3.082 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.389 -4.422 2.296 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.141 -5.856 1.558 1.00 0.66 H new ATOM 0 HD13 LEU A 294 5.999 -4.867 0.617 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.027 -4.445 2.931 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.550 -4.873 1.271 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.028 -5.888 2.637 1.00 0.58 H new ATOM 1186 N LEU A 295 3.853 -9.274 -0.643 1.00 0.20 N ATOM 1187 CA LEU A 295 4.030 -10.284 -1.625 1.00 0.22 C ATOM 1188 C LEU A 295 5.134 -9.838 -2.567 1.00 0.28 C ATOM 1189 O LEU A 295 5.860 -8.891 -2.263 1.00 0.31 O ATOM 1190 CB LEU A 295 2.739 -10.395 -2.400 1.00 0.23 C ATOM 1191 CG LEU A 295 1.963 -11.689 -2.238 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.219 -11.642 -0.926 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.005 -11.899 -3.400 1.00 0.28 C ATOM 0 H LEU A 295 3.710 -8.351 -1.053 1.00 0.20 H new ATOM 0 HA LEU A 295 4.289 -11.240 -1.171 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.092 -9.569 -2.105 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.963 -10.262 -3.458 1.00 0.23 H new ATOM 0 HG LEU A 295 2.654 -12.532 -2.236 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.655 -12.566 -0.794 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.931 -11.531 -0.108 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.533 -10.795 -0.927 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.461 -12.833 -3.259 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.298 -11.071 -3.443 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.568 -11.944 -4.332 1.00 0.28 H new ATOM 1205 N ASP A 296 5.227 -10.471 -3.725 1.00 0.39 N ATOM 1206 CA ASP A 296 6.218 -10.081 -4.711 1.00 0.50 C ATOM 1207 C ASP A 296 5.865 -8.730 -5.342 1.00 0.73 C ATOM 1208 O ASP A 296 6.114 -7.697 -4.740 1.00 1.81 O ATOM 1209 CB ASP A 296 6.394 -11.178 -5.770 1.00 0.84 C ATOM 1210 CG ASP A 296 5.086 -11.648 -6.367 1.00 1.76 C ATOM 1211 OD1 ASP A 296 4.282 -12.272 -5.642 1.00 2.44 O ATOM 1212 OD2 ASP A 296 4.859 -11.406 -7.569 1.00 2.42 O ATOM 0 H ASP A 296 4.632 -11.252 -4.003 1.00 0.39 H new ATOM 0 HA ASP A 296 7.175 -9.959 -4.205 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.036 -10.804 -6.568 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.907 -12.028 -5.321 1.00 0.84 H new ATOM 1217 N GLN A 297 5.264 -8.728 -6.523 1.00 0.53 N ATOM 1218 CA GLN A 297 4.977 -7.494 -7.248 1.00 0.41 C ATOM 1219 C GLN A 297 3.858 -7.698 -8.259 1.00 0.64 C ATOM 1220 O GLN A 297 4.104 -8.324 -9.308 1.00 1.25 O ATOM 1221 CB GLN A 297 6.253 -7.005 -7.924 1.00 0.51 C ATOM 1222 CG GLN A 297 7.145 -8.115 -8.451 1.00 0.88 C ATOM 1223 CD GLN A 297 8.586 -7.678 -8.560 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.309 -7.770 -7.457 1.00 1.02 O flip ATOM 1225 NE2 GLN A 297 9.034 -7.224 -9.610 1.00 1.02 N flip ATOM 1226 OXT GLN A 297 2.733 -7.234 -7.996 1.00 1.41 O ATOM 0 H GLN A 297 4.962 -9.575 -7.005 1.00 0.53 H new ATOM 0 HA GLN A 297 4.634 -6.736 -6.544 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.983 -6.348 -8.751 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.821 -6.405 -7.212 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.077 -8.979 -7.790 1.00 0.88 H new ATOM 0 HG3 GLN A 297 6.788 -8.433 -9.430 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.440 -7.172 -10.438 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.000 -6.899 -9.654 1.00 1.02 H new