USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 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 290 THR OG1 : rot 180:sc=-0.00498 USER MOD Set 1.2: A 291 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.82) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 246 LYS NZ :NH3+ -170:sc= -0.271 (180deg=-0.407) USER MOD Single : A 250 ASN : amide:sc= -2.65! C(o=-2.6!,f=-9.6!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 14:sc= 1.27 USER MOD Single : A 266 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.25) USER MOD Single : A 268 THR OG1 : rot -27:sc= 0.232 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot -45:sc= -18.5! USER MOD Single : A 281 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 LYS NZ :NH3+ -155:sc= 0.128 (180deg=0.0275) USER MOD Single : A 286 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.69) USER MOD Single : A 297 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 5.991 -2.566 -8.529 1.00 0.40 N ATOM 263 CA PRO A 238 5.250 -2.529 -7.274 1.00 0.28 C ATOM 264 C PRO A 238 4.862 -3.864 -6.800 1.00 0.28 C ATOM 265 O PRO A 238 4.424 -4.742 -7.540 1.00 0.41 O ATOM 266 CB PRO A 238 4.041 -1.667 -7.579 1.00 0.25 C ATOM 267 CG PRO A 238 3.817 -1.875 -9.022 1.00 0.59 C ATOM 268 CD PRO A 238 5.198 -1.990 -9.623 1.00 0.43 C ATOM 0 HA PRO A 238 5.857 -2.128 -6.463 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.174 -1.971 -6.992 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.229 -0.618 -7.350 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.232 -2.776 -9.204 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.265 -1.043 -9.459 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.202 -2.631 -10.504 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.585 -1.019 -9.933 1.00 0.43 H new ATOM 276 N PHE A 239 5.058 -3.984 -5.534 1.00 0.24 N ATOM 277 CA PHE A 239 4.919 -5.230 -4.884 1.00 0.26 C ATOM 278 C PHE A 239 3.456 -5.486 -4.638 1.00 0.22 C ATOM 279 O PHE A 239 2.678 -4.546 -4.507 1.00 0.26 O ATOM 280 CB PHE A 239 5.670 -5.241 -3.559 1.00 0.38 C ATOM 281 CG PHE A 239 7.167 -5.123 -3.647 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.898 -5.914 -4.517 1.00 0.56 C ATOM 283 CD2 PHE A 239 7.845 -4.256 -2.809 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.276 -5.844 -4.547 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.222 -4.175 -2.844 1.00 0.79 C ATOM 286 CZ PHE A 239 9.938 -4.971 -3.712 1.00 0.78 C ATOM 0 H PHE A 239 5.321 -3.213 -4.920 1.00 0.24 H new ATOM 0 HA PHE A 239 5.340 -6.010 -5.518 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.296 -4.421 -2.946 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.429 -6.166 -3.035 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.384 -6.594 -5.180 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.291 -3.636 -2.120 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.835 -6.473 -5.224 1.00 0.71 H new ATOM 0 HE2 PHE A 239 9.739 -3.488 -2.191 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.016 -4.910 -3.737 1.00 0.78 H new ATOM 296 N TYR A 240 3.074 -6.736 -4.552 1.00 0.22 N ATOM 297 CA TYR A 240 1.766 -7.043 -4.106 1.00 0.21 C ATOM 298 C TYR A 240 1.923 -7.083 -2.627 1.00 0.19 C ATOM 299 O TYR A 240 3.042 -7.225 -2.151 1.00 0.23 O ATOM 300 CB TYR A 240 1.284 -8.391 -4.651 1.00 0.24 C ATOM 301 CG TYR A 240 0.509 -8.332 -5.955 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.231 -7.129 -6.590 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.041 -9.501 -6.540 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.492 -7.095 -7.765 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.677 -9.474 -7.716 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.941 -8.270 -8.325 1.00 0.69 C ATOM 307 OH TYR A 240 -1.662 -8.240 -9.497 1.00 0.88 O ATOM 0 H TYR A 240 3.655 -7.541 -4.786 1.00 0.22 H new ATOM 0 HA TYR A 240 1.020 -6.323 -4.443 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.151 -9.036 -4.793 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.655 -8.864 -3.897 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.586 -6.205 -6.158 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.243 -10.449 -6.064 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -0.705 -6.150 -8.243 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -1.031 -10.394 -8.157 1.00 0.79 H new ATOM 0 HH TYR A 240 -1.902 -9.154 -9.757 1.00 0.88 H new ATOM 317 N ALA A 241 0.892 -6.866 -1.894 1.00 0.14 N ATOM 318 CA ALA A 241 0.988 -7.026 -0.489 1.00 0.15 C ATOM 319 C ALA A 241 -0.320 -7.460 0.094 1.00 0.11 C ATOM 320 O ALA A 241 -1.348 -6.884 -0.176 1.00 0.12 O ATOM 321 CB ALA A 241 1.489 -5.744 0.151 1.00 0.24 C ATOM 0 H ALA A 241 -0.023 -6.579 -2.241 1.00 0.14 H new ATOM 0 HA ALA A 241 1.710 -7.814 -0.276 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.559 -5.879 1.230 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.473 -5.499 -0.248 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.796 -4.932 -0.069 1.00 0.24 H new ATOM 327 N ARG A 242 -0.282 -8.467 0.915 1.00 0.10 N ATOM 328 CA ARG A 242 -1.489 -8.985 1.479 1.00 0.08 C ATOM 329 C ARG A 242 -1.939 -8.074 2.609 1.00 0.08 C ATOM 330 O ARG A 242 -1.347 -8.072 3.688 1.00 0.11 O ATOM 331 CB ARG A 242 -1.258 -10.380 2.023 1.00 0.10 C ATOM 332 CG ARG A 242 -2.479 -11.021 2.685 1.00 0.10 C ATOM 333 CD ARG A 242 -3.438 -11.611 1.675 1.00 0.11 C ATOM 334 NE ARG A 242 -2.773 -12.451 0.681 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.231 -12.624 -0.556 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.364 -12.041 -0.923 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.567 -13.387 -1.418 1.00 0.43 N ATOM 0 H ARG A 242 0.571 -8.944 1.208 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.255 -9.030 0.705 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.925 -11.022 1.208 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.447 -10.342 2.750 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.150 -11.803 3.369 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -3.000 -10.273 3.283 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.190 -12.202 2.198 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.964 -10.803 1.167 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.913 -12.929 0.950 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -4.879 -11.464 -0.258 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -4.720 -12.170 -1.870 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.701 -13.844 -1.133 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -2.923 -13.516 -2.365 1.00 0.43 H new ATOM 351 N VAL A 243 -2.954 -7.277 2.361 1.00 0.07 N ATOM 352 CA VAL A 243 -3.491 -6.422 3.378 1.00 0.08 C ATOM 353 C VAL A 243 -4.045 -7.276 4.498 1.00 0.11 C ATOM 354 O VAL A 243 -4.639 -8.317 4.251 1.00 0.14 O ATOM 355 CB VAL A 243 -4.597 -5.494 2.822 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.573 -6.255 1.948 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.342 -4.851 3.961 1.00 0.18 C ATOM 0 H VAL A 243 -3.421 -7.208 1.457 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.689 -5.785 3.752 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.117 -4.730 2.211 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.336 -5.572 1.575 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.039 -6.698 1.107 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.047 -7.044 2.533 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.120 -4.198 3.565 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.797 -5.624 4.580 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.649 -4.265 4.564 1.00 0.18 H new ATOM 367 N ILE A 244 -3.832 -6.859 5.726 1.00 0.12 N ATOM 368 CA ILE A 244 -4.354 -7.622 6.850 1.00 0.16 C ATOM 369 C ILE A 244 -5.245 -6.786 7.705 1.00 0.13 C ATOM 370 O ILE A 244 -5.749 -7.262 8.710 1.00 0.17 O ATOM 371 CB ILE A 244 -3.292 -8.196 7.785 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.211 -7.152 8.040 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.753 -9.488 7.233 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.546 -7.269 9.388 1.00 0.61 C ATOM 0 H ILE A 244 -3.314 -6.016 5.975 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.884 -8.445 6.370 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.735 -8.437 8.752 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.451 -7.235 7.264 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.652 -6.159 7.949 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.997 -9.886 7.910 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.565 -10.208 7.133 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.306 -9.308 6.255 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.790 -6.490 9.490 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.293 -7.154 10.173 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.073 -8.247 9.477 1.00 0.61 H new ATOM 386 N GLN A 245 -5.390 -5.538 7.323 1.00 0.11 N ATOM 387 CA GLN A 245 -6.257 -4.605 8.019 1.00 0.12 C ATOM 388 C GLN A 245 -6.398 -3.356 7.196 1.00 0.11 C ATOM 389 O GLN A 245 -5.520 -2.502 7.159 1.00 0.12 O ATOM 390 CB GLN A 245 -5.738 -4.262 9.423 1.00 0.15 C ATOM 391 CG GLN A 245 -6.219 -5.219 10.498 1.00 0.21 C ATOM 392 CD GLN A 245 -6.122 -4.650 11.899 1.00 0.33 C ATOM 393 OE1 GLN A 245 -5.252 -3.829 12.195 1.00 1.05 O ATOM 394 NE2 GLN A 245 -7.015 -5.085 12.772 1.00 1.20 N ATOM 0 H GLN A 245 -4.910 -5.136 6.518 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.229 -5.081 8.150 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.648 -4.263 9.409 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -6.053 -3.251 9.681 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.255 -5.490 10.295 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.633 -6.137 10.445 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.719 -5.765 12.486 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -7.000 -4.740 13.732 1.00 1.20 H new ATOM 403 N LYS A 246 -7.477 -3.301 6.475 1.00 0.12 N ATOM 404 CA LYS A 246 -7.816 -2.142 5.704 1.00 0.12 C ATOM 405 C LYS A 246 -9.286 -1.888 5.920 1.00 0.15 C ATOM 406 O LYS A 246 -10.006 -2.765 6.404 1.00 0.19 O ATOM 407 CB LYS A 246 -7.464 -2.411 4.247 1.00 0.12 C ATOM 408 CG LYS A 246 -7.114 -1.207 3.358 1.00 0.13 C ATOM 409 CD LYS A 246 -5.787 -1.446 2.661 1.00 0.14 C ATOM 410 CE LYS A 246 -4.655 -0.891 3.449 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.346 -1.114 2.775 1.00 0.21 N ATOM 0 H LYS A 246 -8.151 -4.063 6.404 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.263 -1.252 6.004 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.618 -3.098 4.229 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.306 -2.931 3.790 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.899 -1.050 2.619 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.059 -0.302 3.963 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.639 -2.516 2.512 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.805 -0.986 1.673 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.808 0.178 3.600 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.639 -1.354 4.436 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.574 -0.868 3.427 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.263 -2.114 2.501 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.286 -0.516 1.926 1.00 0.21 H new ATOM 425 N ARG A 247 -9.730 -0.718 5.588 1.00 0.16 N ATOM 426 CA ARG A 247 -11.114 -0.378 5.728 1.00 0.16 C ATOM 427 C ARG A 247 -11.741 -0.577 4.373 1.00 0.14 C ATOM 428 O ARG A 247 -11.017 -0.801 3.407 1.00 0.14 O ATOM 429 CB ARG A 247 -11.256 1.071 6.202 1.00 0.17 C ATOM 430 CG ARG A 247 -10.878 2.105 5.152 1.00 0.18 C ATOM 431 CD ARG A 247 -10.777 3.517 5.722 1.00 0.23 C ATOM 432 NE ARG A 247 -11.975 4.319 5.441 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.008 4.475 6.271 1.00 0.63 C ATOM 434 NH1 ARG A 247 -13.022 3.885 7.460 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.029 5.239 5.901 1.00 0.63 N ATOM 0 H ARG A 247 -9.146 0.029 5.212 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.609 -1.002 6.472 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.287 1.242 6.511 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.631 1.217 7.083 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.923 1.830 4.705 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.619 2.093 4.353 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.625 3.461 6.800 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.903 4.014 5.302 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.021 4.794 4.540 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.236 3.303 7.750 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.819 4.014 8.084 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.018 5.699 4.991 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.824 5.366 6.527 1.00 0.63 H new ATOM 449 N VAL A 248 -13.050 -0.582 4.283 1.00 0.15 N ATOM 450 CA VAL A 248 -13.664 -0.438 2.998 1.00 0.15 C ATOM 451 C VAL A 248 -14.023 1.026 2.793 1.00 0.14 C ATOM 452 O VAL A 248 -15.079 1.496 3.215 1.00 0.16 O ATOM 453 CB VAL A 248 -14.888 -1.358 2.814 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.742 -0.886 1.656 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.424 -2.780 2.563 1.00 0.21 C ATOM 0 H VAL A 248 -13.693 -0.682 5.069 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.952 -0.752 2.235 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.488 -1.325 3.723 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.600 -1.548 1.543 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.090 0.129 1.850 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.151 -0.898 0.740 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.291 -3.428 2.433 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.811 -2.809 1.662 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.836 -3.126 3.413 1.00 0.21 H new ATOM 465 N PRO A 249 -13.093 1.782 2.212 1.00 0.13 N ATOM 466 CA PRO A 249 -13.301 3.129 1.820 1.00 0.15 C ATOM 467 C PRO A 249 -13.665 3.167 0.356 1.00 0.16 C ATOM 468 O PRO A 249 -14.334 2.269 -0.161 1.00 0.17 O ATOM 469 CB PRO A 249 -11.918 3.767 2.053 1.00 0.16 C ATOM 470 CG PRO A 249 -10.940 2.631 2.068 1.00 0.14 C ATOM 471 CD PRO A 249 -11.741 1.389 1.875 1.00 0.13 C ATOM 0 HA PRO A 249 -14.100 3.637 2.360 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.678 4.479 1.263 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.894 4.316 2.995 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.200 2.744 1.275 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.395 2.600 3.011 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.675 1.028 0.848 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.388 0.584 2.519 1.00 0.13 H new ATOM 479 N ASN A 250 -13.220 4.200 -0.292 1.00 0.17 N ATOM 480 CA ASN A 250 -13.285 4.298 -1.723 1.00 0.20 C ATOM 481 C ASN A 250 -12.410 5.437 -2.162 1.00 0.21 C ATOM 482 O ASN A 250 -11.751 6.074 -1.340 1.00 0.19 O ATOM 483 CB ASN A 250 -14.711 4.505 -2.240 1.00 0.24 C ATOM 484 CG ASN A 250 -15.516 5.472 -1.397 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.402 6.679 -1.551 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.352 4.944 -0.513 1.00 1.28 N ATOM 0 H ASN A 250 -12.796 5.010 0.161 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.938 3.354 -2.142 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.669 4.874 -3.265 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.224 3.544 -2.268 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.929 5.551 0.069 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.418 3.931 -0.415 1.00 1.28 H new ATOM 493 N ALA A 251 -12.391 5.698 -3.444 1.00 0.26 N ATOM 494 CA ALA A 251 -11.568 6.754 -3.961 1.00 0.31 C ATOM 495 C ALA A 251 -12.145 8.126 -3.627 1.00 0.37 C ATOM 496 O ALA A 251 -11.477 9.143 -3.777 1.00 0.42 O ATOM 497 CB ALA A 251 -11.384 6.588 -5.456 1.00 0.39 C ATOM 0 H ALA A 251 -12.935 5.194 -4.145 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.591 6.690 -3.482 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.758 7.395 -5.837 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.905 5.630 -5.660 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.356 6.620 -5.948 1.00 0.39 H new ATOM 503 N TYR A 252 -13.384 8.163 -3.179 1.00 0.39 N ATOM 504 CA TYR A 252 -13.972 9.403 -2.705 1.00 0.47 C ATOM 505 C TYR A 252 -13.538 9.644 -1.275 1.00 0.46 C ATOM 506 O TYR A 252 -13.431 10.777 -0.804 1.00 0.56 O ATOM 507 CB TYR A 252 -15.488 9.326 -2.751 1.00 0.57 C ATOM 508 CG TYR A 252 -16.058 9.032 -4.116 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.332 9.276 -5.276 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.336 8.523 -4.236 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.875 9.020 -6.519 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.887 8.261 -5.472 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.154 8.512 -6.611 1.00 1.98 C ATOM 514 OH TYR A 252 -17.703 8.256 -7.848 1.00 2.53 O ATOM 0 H TYR A 252 -14.002 7.353 -3.133 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.637 10.217 -3.347 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.821 8.553 -2.058 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.898 10.271 -2.396 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.330 9.671 -5.204 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.914 8.327 -3.345 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.302 9.216 -7.413 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.888 7.861 -5.547 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.609 7.900 -7.736 1.00 2.53 H new ATOM 524 N ASP A 253 -13.270 8.541 -0.611 1.00 0.40 N ATOM 525 CA ASP A 253 -12.910 8.518 0.773 1.00 0.43 C ATOM 526 C ASP A 253 -11.442 8.761 0.906 1.00 0.38 C ATOM 527 O ASP A 253 -10.673 7.815 1.061 1.00 0.34 O ATOM 528 CB ASP A 253 -13.195 7.129 1.297 1.00 0.44 C ATOM 529 CG ASP A 253 -13.796 7.113 2.690 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.940 7.597 2.859 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.130 6.629 3.622 1.00 0.88 O ATOM 0 H ASP A 253 -13.300 7.615 -1.038 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.467 9.279 1.320 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.876 6.625 0.612 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.268 6.556 1.305 1.00 0.44 H new ATOM 536 N LYS A 254 -11.046 10.022 0.819 1.00 0.43 N ATOM 537 CA LYS A 254 -9.652 10.400 0.989 1.00 0.41 C ATOM 538 C LYS A 254 -8.787 9.798 -0.106 1.00 0.31 C ATOM 539 O LYS A 254 -7.580 10.000 -0.128 1.00 0.28 O ATOM 540 CB LYS A 254 -9.184 9.905 2.346 1.00 0.45 C ATOM 541 CG LYS A 254 -10.142 10.303 3.440 1.00 0.60 C ATOM 542 CD LYS A 254 -9.855 9.596 4.753 1.00 0.74 C ATOM 543 CE LYS A 254 -10.525 8.230 4.800 1.00 0.79 C ATOM 544 NZ LYS A 254 -10.243 7.517 6.074 1.00 1.32 N ATOM 0 H LYS A 254 -11.674 10.804 0.631 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.562 11.485 0.927 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.085 8.820 2.324 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.195 10.311 2.561 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.086 11.381 3.592 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.161 10.078 3.125 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.779 9.481 4.879 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.210 10.207 5.583 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.602 8.350 4.682 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.178 7.626 3.962 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -10.717 6.591 6.066 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -9.217 7.380 6.175 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -10.597 8.081 6.873 1.00 1.32 H new ATOM 558 N THR A 255 -9.449 9.085 -1.007 1.00 0.28 N ATOM 559 CA THR A 255 -8.839 8.134 -1.903 1.00 0.22 C ATOM 560 C THR A 255 -8.151 7.096 -1.059 1.00 0.15 C ATOM 561 O THR A 255 -6.996 7.246 -0.670 1.00 0.14 O ATOM 562 CB THR A 255 -7.877 8.719 -2.983 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.764 9.400 -2.403 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.611 9.670 -3.909 1.00 0.55 C ATOM 0 H THR A 255 -10.458 9.161 -1.132 1.00 0.28 H new ATOM 0 HA THR A 255 -9.641 7.710 -2.507 1.00 0.22 H new ATOM 0 HB THR A 255 -7.502 7.868 -3.552 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.701 9.173 -1.452 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.917 10.063 -4.652 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.418 9.137 -4.412 1.00 0.55 H new ATOM 0 HG23 THR A 255 -9.027 10.494 -3.329 1.00 0.55 H new ATOM 572 N ALA A 256 -8.944 6.137 -0.629 1.00 0.13 N ATOM 573 CA ALA A 256 -8.458 5.057 0.190 1.00 0.11 C ATOM 574 C ALA A 256 -8.752 3.675 -0.430 1.00 0.10 C ATOM 575 O ALA A 256 -9.567 3.553 -1.344 1.00 0.12 O ATOM 576 CB ALA A 256 -9.035 5.203 1.577 1.00 0.13 C ATOM 0 H ALA A 256 -9.941 6.088 -0.839 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.371 5.115 0.252 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.675 4.391 2.208 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.725 6.158 2.002 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.123 5.166 1.524 1.00 0.13 H new ATOM 582 N LEU A 257 -8.113 2.633 0.112 1.00 0.10 N ATOM 583 CA LEU A 257 -8.168 1.273 -0.460 1.00 0.09 C ATOM 584 C LEU A 257 -9.310 0.451 0.054 1.00 0.09 C ATOM 585 O LEU A 257 -9.336 0.088 1.225 1.00 0.11 O ATOM 586 CB LEU A 257 -6.887 0.502 -0.148 1.00 0.11 C ATOM 587 CG LEU A 257 -5.678 0.873 -0.962 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.038 1.154 -2.411 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.974 2.056 -0.343 1.00 0.21 C ATOM 0 H LEU A 257 -7.544 2.702 0.956 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.298 1.425 -1.532 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.648 0.645 0.906 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.083 -0.561 -0.289 1.00 0.11 H new ATOM 0 HG LEU A 257 -4.999 0.020 -0.959 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.137 1.418 -2.965 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.488 0.265 -2.853 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.747 1.980 -2.456 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.101 2.314 -0.942 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.654 2.907 -0.308 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.658 1.803 0.669 1.00 0.21 H new ATOM 601 N ALA A 258 -10.205 0.082 -0.849 1.00 0.10 N ATOM 602 CA ALA A 258 -11.343 -0.723 -0.476 1.00 0.11 C ATOM 603 C ALA A 258 -11.029 -2.178 -0.591 1.00 0.11 C ATOM 604 O ALA A 258 -11.166 -2.790 -1.648 1.00 0.14 O ATOM 605 CB ALA A 258 -12.522 -0.387 -1.336 1.00 0.14 C ATOM 0 H ALA A 258 -10.161 0.328 -1.838 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.585 -0.503 0.564 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.373 -1.002 -1.043 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.775 0.666 -1.211 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.277 -0.580 -2.380 1.00 0.14 H new ATOM 611 N LEU A 259 -10.616 -2.719 0.517 1.00 0.10 N ATOM 612 CA LEU A 259 -10.289 -4.116 0.600 1.00 0.12 C ATOM 613 C LEU A 259 -10.418 -4.596 2.029 1.00 0.12 C ATOM 614 O LEU A 259 -10.529 -3.794 2.957 1.00 0.12 O ATOM 615 CB LEU A 259 -8.869 -4.354 0.098 1.00 0.14 C ATOM 616 CG LEU A 259 -8.010 -3.098 0.014 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.609 -3.392 0.469 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.994 -2.549 -1.391 1.00 0.55 C ATOM 0 H LEU A 259 -10.496 -2.206 1.390 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.984 -4.676 -0.026 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.379 -5.070 0.757 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.918 -4.812 -0.890 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.445 -2.346 0.672 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.007 -2.485 0.403 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.627 -3.741 1.501 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.174 -4.163 -0.167 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.374 -1.653 -1.424 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.586 -3.298 -2.070 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.010 -2.299 -1.695 1.00 0.55 H new ATOM 630 N GLU A 260 -10.401 -5.899 2.211 1.00 0.15 N ATOM 631 CA GLU A 260 -10.520 -6.461 3.544 1.00 0.16 C ATOM 632 C GLU A 260 -9.163 -6.943 4.038 1.00 0.15 C ATOM 633 O GLU A 260 -8.181 -6.965 3.305 1.00 0.16 O ATOM 634 CB GLU A 260 -11.539 -7.621 3.543 1.00 0.21 C ATOM 635 CG GLU A 260 -11.513 -8.501 4.789 1.00 0.23 C ATOM 636 CD GLU A 260 -12.842 -8.561 5.507 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.424 -7.494 5.785 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.319 -9.682 5.789 1.00 0.92 O ATOM 0 H GLU A 260 -10.307 -6.585 1.462 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.877 -5.685 4.221 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.540 -7.205 3.431 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.354 -8.247 2.670 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.215 -9.511 4.506 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.754 -8.125 5.475 1.00 0.23 H new ATOM 645 N VAL A 261 -9.104 -7.234 5.303 1.00 0.16 N ATOM 646 CA VAL A 261 -8.088 -8.091 5.843 1.00 0.16 C ATOM 647 C VAL A 261 -7.962 -9.388 5.038 1.00 0.17 C ATOM 648 O VAL A 261 -8.953 -10.065 4.772 1.00 0.21 O ATOM 649 CB VAL A 261 -8.475 -8.465 7.263 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.506 -9.491 7.821 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.566 -7.213 8.101 1.00 0.18 C ATOM 0 H VAL A 261 -9.764 -6.881 5.996 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.139 -7.557 5.807 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.458 -8.936 7.277 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.796 -9.749 8.839 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.526 -10.386 7.200 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.498 -9.075 7.825 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.844 -7.477 9.121 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.600 -6.708 8.107 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.320 -6.548 7.681 1.00 0.18 H new ATOM 661 N GLY A 262 -6.750 -9.741 4.662 1.00 0.17 N ATOM 662 CA GLY A 262 -6.533 -10.991 3.983 1.00 0.18 C ATOM 663 C GLY A 262 -6.649 -10.841 2.493 1.00 0.17 C ATOM 664 O GLY A 262 -6.502 -11.798 1.736 1.00 0.19 O ATOM 0 H GLY A 262 -5.910 -9.182 4.815 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.544 -11.375 4.234 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.258 -11.726 4.332 1.00 0.18 H new ATOM 668 N GLU A 263 -6.922 -9.626 2.084 1.00 0.16 N ATOM 669 CA GLU A 263 -6.993 -9.275 0.693 1.00 0.17 C ATOM 670 C GLU A 263 -5.619 -8.842 0.266 1.00 0.13 C ATOM 671 O GLU A 263 -4.651 -9.121 0.961 1.00 0.11 O ATOM 672 CB GLU A 263 -8.014 -8.161 0.566 1.00 0.18 C ATOM 673 CG GLU A 263 -9.329 -8.543 1.206 1.00 0.21 C ATOM 674 CD GLU A 263 -10.469 -8.609 0.216 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.640 -9.654 -0.439 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.193 -7.604 0.076 1.00 0.84 O ATOM 0 H GLU A 263 -7.103 -8.847 2.717 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.302 -10.103 0.055 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.628 -7.256 1.036 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.174 -7.930 -0.487 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.222 -9.512 1.694 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.572 -7.820 1.984 1.00 0.21 H new ATOM 683 N LEU A 264 -5.487 -8.177 -0.845 1.00 0.17 N ATOM 684 CA LEU A 264 -4.183 -7.674 -1.184 1.00 0.18 C ATOM 685 C LEU A 264 -4.240 -6.313 -1.824 1.00 0.17 C ATOM 686 O LEU A 264 -5.195 -5.941 -2.506 1.00 0.31 O ATOM 687 CB LEU A 264 -3.375 -8.719 -1.958 1.00 0.48 C ATOM 688 CG LEU A 264 -2.895 -8.486 -3.409 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.022 -7.266 -3.582 1.00 0.36 C ATOM 690 CD2 LEU A 264 -2.047 -9.658 -3.780 1.00 0.83 C ATOM 0 H LEU A 264 -6.233 -7.974 -1.511 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.629 -7.504 -0.261 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.485 -8.928 -1.364 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -3.973 -9.631 -1.969 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.786 -8.350 -4.023 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.728 -7.174 -4.628 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.576 -6.377 -3.281 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.131 -7.365 -2.962 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.685 -9.536 -4.801 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.198 -9.723 -3.099 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.638 -10.571 -3.711 1.00 0.83 H new ATOM 702 N VAL A 265 -3.177 -5.602 -1.571 1.00 0.19 N ATOM 703 CA VAL A 265 -3.003 -4.245 -1.952 1.00 0.19 C ATOM 704 C VAL A 265 -1.608 -4.087 -2.559 1.00 0.24 C ATOM 705 O VAL A 265 -0.665 -4.707 -2.100 1.00 0.47 O ATOM 706 CB VAL A 265 -3.156 -3.397 -0.682 1.00 0.16 C ATOM 707 CG1 VAL A 265 -2.003 -3.621 0.237 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.236 -1.938 -0.926 1.00 0.27 C ATOM 0 H VAL A 265 -2.374 -5.980 -1.068 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.735 -3.927 -2.694 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.101 -3.723 -0.248 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.128 -3.012 1.132 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.960 -4.674 0.517 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.077 -3.341 -0.266 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.343 -1.415 0.025 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.327 -1.602 -1.424 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.097 -1.721 -1.558 1.00 0.27 H new ATOM 718 N LYS A 266 -1.471 -3.283 -3.579 1.00 0.14 N ATOM 719 CA LYS A 266 -0.223 -3.232 -4.326 1.00 0.15 C ATOM 720 C LYS A 266 0.329 -1.827 -4.366 1.00 0.32 C ATOM 721 O LYS A 266 -0.268 -0.942 -4.954 1.00 0.74 O ATOM 722 CB LYS A 266 -0.461 -3.768 -5.736 1.00 0.26 C ATOM 723 CG LYS A 266 0.722 -3.585 -6.691 1.00 0.42 C ATOM 724 CD LYS A 266 0.561 -2.387 -7.623 1.00 0.57 C ATOM 725 CE LYS A 266 -0.819 -2.342 -8.273 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.904 -1.310 -9.340 1.00 1.84 N ATOM 0 H LYS A 266 -2.199 -2.654 -3.918 1.00 0.14 H new ATOM 0 HA LYS A 266 0.519 -3.855 -3.826 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.700 -4.830 -5.672 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.334 -3.270 -6.158 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.636 -3.464 -6.109 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.842 -4.489 -7.288 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.726 -1.468 -7.061 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.325 -2.428 -8.399 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.052 -3.319 -8.696 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.571 -2.137 -7.511 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.848 -1.338 -9.776 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.742 -0.369 -8.927 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -0.182 -1.499 -10.064 1.00 1.84 H new ATOM 740 N VAL A 267 1.492 -1.615 -3.790 1.00 0.14 N ATOM 741 CA VAL A 267 1.944 -0.267 -3.627 1.00 0.16 C ATOM 742 C VAL A 267 2.753 0.166 -4.836 1.00 0.20 C ATOM 743 O VAL A 267 3.845 -0.328 -5.116 1.00 0.23 O ATOM 744 CB VAL A 267 2.692 -0.033 -2.304 1.00 0.20 C ATOM 745 CG1 VAL A 267 4.092 -0.633 -2.296 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.701 1.449 -2.001 1.00 0.22 C ATOM 0 H VAL A 267 2.119 -2.339 -3.439 1.00 0.14 H new ATOM 0 HA VAL A 267 1.060 0.367 -3.564 1.00 0.16 H new ATOM 0 HB VAL A 267 2.160 -0.558 -1.511 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.568 -0.434 -1.336 1.00 0.31 H new ATOM 0 HG12 VAL A 267 4.027 -1.710 -2.453 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.684 -0.185 -3.094 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.229 1.626 -1.064 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.204 1.982 -2.808 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.676 1.809 -1.913 1.00 0.22 H new ATOM 756 N THR A 268 2.159 1.095 -5.545 1.00 0.21 N ATOM 757 CA THR A 268 2.601 1.523 -6.840 1.00 0.24 C ATOM 758 C THR A 268 2.896 3.022 -6.868 1.00 0.24 C ATOM 759 O THR A 268 3.444 3.536 -7.836 1.00 0.35 O ATOM 760 CB THR A 268 1.483 1.226 -7.856 1.00 0.26 C ATOM 761 OG1 THR A 268 1.820 1.721 -9.157 1.00 0.31 O ATOM 762 CG2 THR A 268 0.168 1.849 -7.375 1.00 0.24 C ATOM 0 H THR A 268 1.327 1.587 -5.221 1.00 0.21 H new ATOM 0 HA THR A 268 3.519 0.989 -7.085 1.00 0.24 H new ATOM 0 HB THR A 268 1.365 0.145 -7.931 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.429 2.484 -9.069 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.621 1.637 -8.097 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.102 1.426 -6.407 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.290 2.928 -7.278 1.00 0.24 H new ATOM 770 N LYS A 269 2.516 3.730 -5.822 1.00 0.20 N ATOM 771 CA LYS A 269 2.603 5.174 -5.841 1.00 0.23 C ATOM 772 C LYS A 269 3.555 5.667 -4.782 1.00 0.28 C ATOM 773 O LYS A 269 3.197 5.775 -3.629 1.00 0.45 O ATOM 774 CB LYS A 269 1.227 5.769 -5.577 1.00 0.25 C ATOM 775 CG LYS A 269 1.138 7.283 -5.742 1.00 0.49 C ATOM 776 CD LYS A 269 1.500 7.739 -7.149 1.00 0.59 C ATOM 777 CE LYS A 269 2.909 8.309 -7.207 1.00 0.49 C ATOM 778 NZ LYS A 269 3.291 8.706 -8.587 1.00 1.40 N ATOM 0 H LYS A 269 2.148 3.333 -4.958 1.00 0.20 H new ATOM 0 HA LYS A 269 2.969 5.482 -6.820 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.510 5.302 -6.252 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.924 5.511 -4.562 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.126 7.612 -5.506 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.804 7.763 -5.025 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.419 6.898 -7.837 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.787 8.494 -7.482 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.978 9.175 -6.548 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.616 7.568 -6.834 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 4.258 9.089 -8.583 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.251 7.875 -9.211 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.632 9.432 -8.934 1.00 1.40 H new ATOM 792 N ILE A 270 4.760 5.985 -5.165 1.00 0.31 N ATOM 793 CA ILE A 270 5.685 6.574 -4.222 1.00 0.34 C ATOM 794 C ILE A 270 5.562 8.094 -4.248 1.00 0.38 C ATOM 795 O ILE A 270 6.019 8.759 -5.177 1.00 0.42 O ATOM 796 CB ILE A 270 7.150 6.149 -4.460 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.312 5.317 -5.742 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.660 5.357 -3.268 1.00 0.61 C ATOM 799 CD1 ILE A 270 7.102 6.081 -7.035 1.00 1.44 C ATOM 0 H ILE A 270 5.126 5.851 -6.108 1.00 0.31 H new ATOM 0 HA ILE A 270 5.411 6.198 -3.236 1.00 0.34 H new ATOM 0 HB ILE A 270 7.737 7.059 -4.581 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.312 4.884 -5.752 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.606 4.487 -5.710 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.694 5.061 -3.444 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.607 5.974 -2.371 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.046 4.467 -3.133 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.238 5.408 -7.882 1.00 1.44 H new ATOM 0 HD12 ILE A 270 6.092 6.491 -7.056 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.825 6.894 -7.099 1.00 1.44 H new ATOM 877 N TRP A 276 2.442 5.917 1.221 1.00 0.41 N ATOM 878 CA TRP A 276 2.231 5.915 -0.209 1.00 0.33 C ATOM 879 C TRP A 276 0.836 5.460 -0.551 1.00 0.23 C ATOM 880 O TRP A 276 0.034 5.148 0.332 1.00 0.22 O ATOM 881 CB TRP A 276 3.210 5.010 -0.944 1.00 0.41 C ATOM 882 CG TRP A 276 4.526 4.768 -0.257 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.873 3.658 0.454 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.669 5.631 -0.223 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.155 3.784 0.925 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.662 4.984 0.530 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.945 6.886 -0.745 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.915 5.549 0.761 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.187 7.453 -0.517 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.158 6.786 0.236 1.00 0.82 C ATOM 0 HA TRP A 276 2.388 6.945 -0.530 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.728 4.047 -1.112 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.409 5.443 -1.924 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.233 2.805 0.622 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.650 3.088 1.483 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.200 7.414 -1.322 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.667 5.027 1.335 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.410 8.427 -0.928 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.115 7.256 0.405 1.00 0.82 H new ATOM 901 N GLU A 277 0.569 5.409 -1.843 1.00 0.19 N ATOM 902 CA GLU A 277 -0.712 5.036 -2.335 1.00 0.16 C ATOM 903 C GLU A 277 -0.674 3.673 -2.952 1.00 0.19 C ATOM 904 O GLU A 277 0.112 3.415 -3.828 1.00 0.48 O ATOM 905 CB GLU A 277 -1.192 6.058 -3.344 1.00 0.15 C ATOM 906 CG GLU A 277 -1.246 7.469 -2.808 1.00 0.23 C ATOM 907 CD GLU A 277 -2.256 8.321 -3.545 1.00 0.27 C ATOM 908 OE1 GLU A 277 -1.962 8.747 -4.684 1.00 1.03 O ATOM 909 OE2 GLU A 277 -3.351 8.560 -3.005 1.00 0.92 O ATOM 0 H GLU A 277 1.249 5.629 -2.571 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.409 5.006 -1.497 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.533 6.035 -4.212 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -2.185 5.773 -3.690 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -1.499 7.444 -1.748 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -0.259 7.925 -2.890 1.00 0.23 H new ATOM 916 N GLY A 278 -1.543 2.816 -2.488 1.00 0.39 N ATOM 917 CA GLY A 278 -1.662 1.517 -3.046 1.00 0.34 C ATOM 918 C GLY A 278 -2.728 1.495 -4.099 1.00 0.28 C ATOM 919 O GLY A 278 -3.493 2.448 -4.249 1.00 0.32 O ATOM 0 H GLY A 278 -2.181 3.007 -1.716 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.709 1.211 -3.478 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.902 0.798 -2.262 1.00 0.34 H new ATOM 923 N GLU A 279 -2.782 0.410 -4.810 1.00 0.22 N ATOM 924 CA GLU A 279 -3.782 0.182 -5.790 1.00 0.18 C ATOM 925 C GLU A 279 -4.021 -1.289 -5.828 1.00 0.13 C ATOM 926 O GLU A 279 -3.129 -2.076 -6.138 1.00 0.14 O ATOM 927 CB GLU A 279 -3.383 0.686 -7.158 1.00 0.25 C ATOM 928 CG GLU A 279 -4.528 0.585 -8.138 1.00 0.27 C ATOM 929 CD GLU A 279 -4.474 -0.661 -8.996 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.500 -0.823 -9.758 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.410 -1.485 -8.911 1.00 0.99 O ATOM 0 H GLU A 279 -2.113 -0.355 -4.717 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.684 0.732 -5.522 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.056 1.723 -7.084 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.535 0.109 -7.527 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.469 0.599 -7.589 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.523 1.463 -8.784 1.00 0.27 H new ATOM 938 N CYS A 280 -5.193 -1.654 -5.432 1.00 0.10 N ATOM 939 CA CYS A 280 -5.511 -3.028 -5.234 1.00 0.12 C ATOM 940 C CYS A 280 -6.635 -3.470 -6.130 1.00 0.15 C ATOM 941 O CYS A 280 -7.791 -3.346 -5.766 1.00 0.19 O ATOM 942 CB CYS A 280 -5.919 -3.151 -3.806 1.00 0.17 C ATOM 943 SG CYS A 280 -5.387 -1.750 -2.845 1.00 1.52 S ATOM 0 H CYS A 280 -5.958 -1.009 -5.236 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.655 -3.659 -5.474 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.003 -3.244 -3.744 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.496 -4.063 -3.384 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.153 -1.466 -3.138 1.00 1.52 H new ATOM 949 N ASN A 281 -6.285 -3.986 -7.290 1.00 0.18 N ATOM 950 CA ASN A 281 -7.268 -4.495 -8.243 1.00 0.25 C ATOM 951 C ASN A 281 -8.458 -3.540 -8.392 1.00 0.23 C ATOM 952 O ASN A 281 -9.617 -3.963 -8.405 1.00 0.32 O ATOM 953 CB ASN A 281 -7.732 -5.890 -7.815 1.00 0.33 C ATOM 954 CG ASN A 281 -6.616 -6.917 -7.911 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.471 -7.603 -8.925 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.805 -7.011 -6.863 1.00 0.69 N ATOM 0 H ASN A 281 -5.318 -4.067 -7.604 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.792 -4.566 -9.221 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.101 -5.850 -6.790 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.567 -6.202 -8.442 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -5.027 -7.670 -6.878 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.961 -6.424 -6.043 1.00 0.69 H new ATOM 963 N GLY A 282 -8.154 -2.247 -8.486 1.00 0.17 N ATOM 964 CA GLY A 282 -9.156 -1.265 -8.806 1.00 0.18 C ATOM 965 C GLY A 282 -9.555 -0.415 -7.623 1.00 0.16 C ATOM 966 O GLY A 282 -10.560 0.295 -7.667 1.00 0.28 O ATOM 0 H GLY A 282 -7.218 -1.867 -8.343 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.782 -0.619 -9.600 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -10.039 -1.770 -9.196 1.00 0.18 H new ATOM 970 N LYS A 283 -8.774 -0.483 -6.559 1.00 0.10 N ATOM 971 CA LYS A 283 -8.875 0.493 -5.493 1.00 0.10 C ATOM 972 C LYS A 283 -7.565 1.202 -5.369 1.00 0.09 C ATOM 973 O LYS A 283 -6.515 0.592 -5.527 1.00 0.12 O ATOM 974 CB LYS A 283 -9.199 -0.104 -4.128 1.00 0.11 C ATOM 975 CG LYS A 283 -10.415 -1.014 -4.111 1.00 0.15 C ATOM 976 CD LYS A 283 -10.129 -2.405 -4.630 1.00 0.14 C ATOM 977 CE LYS A 283 -11.383 -3.236 -4.696 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.267 -4.350 -5.677 1.00 0.38 N ATOM 0 H LYS A 283 -8.066 -1.202 -6.412 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.697 1.155 -5.765 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.334 -0.668 -3.778 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.359 0.708 -3.419 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.793 -1.085 -3.091 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.205 -0.565 -4.713 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.681 -2.340 -5.622 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.401 -2.894 -3.983 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.599 -3.644 -3.709 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.225 -2.600 -4.969 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.215 -4.622 -6.008 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.693 -4.041 -6.487 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.812 -5.167 -5.222 1.00 0.38 H new ATOM 992 N ARG A 284 -7.634 2.468 -5.072 1.00 0.07 N ATOM 993 CA ARG A 284 -6.459 3.262 -4.845 1.00 0.09 C ATOM 994 C ARG A 284 -6.644 4.150 -3.646 1.00 0.11 C ATOM 995 O ARG A 284 -7.765 4.487 -3.278 1.00 0.13 O ATOM 996 CB ARG A 284 -6.134 4.112 -6.039 1.00 0.11 C ATOM 997 CG ARG A 284 -5.916 3.282 -7.263 1.00 0.20 C ATOM 998 CD ARG A 284 -4.927 3.956 -8.179 1.00 0.35 C ATOM 999 NE ARG A 284 -4.878 3.346 -9.503 1.00 0.68 N ATOM 1000 CZ ARG A 284 -3.923 3.585 -10.400 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -2.955 4.456 -10.135 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -3.940 2.960 -11.568 1.00 1.46 N ATOM 0 H ARG A 284 -8.510 2.982 -4.980 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.633 2.574 -4.667 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.946 4.817 -6.217 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.240 4.701 -5.834 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.548 2.295 -6.981 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -6.862 3.133 -7.784 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.190 5.009 -8.278 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -3.935 3.916 -7.728 1.00 0.35 H new ATOM 0 HE ARG A 284 -5.621 2.696 -9.758 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -2.941 4.946 -9.240 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -2.226 4.635 -10.826 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -4.684 2.296 -11.780 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -3.209 3.143 -12.255 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.542 4.539 -3.063 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.582 5.312 -1.855 1.00 0.14 C ATOM 1018 C GLY A 285 -4.295 5.204 -1.083 1.00 0.15 C ATOM 1019 O GLY A 285 -3.351 4.656 -1.588 1.00 0.24 O ATOM 0 H GLY A 285 -4.604 4.332 -3.407 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.774 6.357 -2.098 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.410 4.972 -1.232 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.246 5.695 0.141 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.010 5.708 0.900 1.00 0.12 C ATOM 1025 C HIS A 286 -3.215 5.142 2.274 1.00 0.12 C ATOM 1026 O HIS A 286 -4.263 5.349 2.881 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.451 7.124 0.991 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.484 8.205 0.897 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.417 8.464 1.879 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.739 9.075 -0.102 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.206 9.445 1.486 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.813 9.837 0.286 1.00 0.23 N ATOM 0 H HIS A 286 -5.048 6.090 0.631 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.289 5.080 0.376 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.916 7.230 1.935 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.721 7.265 0.194 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.199 9.157 -1.034 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.031 9.857 2.048 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.239 10.584 -0.262 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.190 4.458 2.768 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.323 3.635 3.965 1.00 0.11 C ATOM 1043 C PHE A 287 -0.952 3.124 4.418 1.00 0.15 C ATOM 1044 O PHE A 287 -0.181 2.611 3.606 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.235 2.423 3.697 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.730 2.629 3.868 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.256 3.398 4.899 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.611 2.040 2.977 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.622 3.564 5.031 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.972 2.204 3.102 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.479 2.969 4.129 1.00 0.12 C ATOM 0 H PHE A 287 -1.256 4.457 2.358 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.763 4.256 4.745 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.055 2.084 2.677 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.927 1.615 4.361 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.590 3.871 5.605 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.223 1.440 2.168 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.018 4.159 5.840 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.641 1.734 2.396 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.546 3.103 4.228 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.628 3.278 5.712 1.00 0.17 N ATOM 1062 CA PRO A 288 0.610 2.766 6.317 1.00 0.23 C ATOM 1063 C PRO A 288 0.819 1.258 6.161 1.00 0.18 C ATOM 1064 O PRO A 288 -0.091 0.500 5.803 1.00 0.16 O ATOM 1065 CB PRO A 288 0.454 3.107 7.806 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.991 3.398 7.981 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.404 4.036 6.695 1.00 0.23 C ATOM 0 HA PRO A 288 1.476 3.211 5.827 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.769 2.276 8.437 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.066 3.966 8.081 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.559 2.487 8.172 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.162 4.064 8.827 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.477 3.948 6.523 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.164 5.099 6.672 1.00 0.23 H new ATOM 1075 N PHE A 289 2.050 0.852 6.452 1.00 0.23 N ATOM 1076 CA PHE A 289 2.467 -0.555 6.414 1.00 0.26 C ATOM 1077 C PHE A 289 1.930 -1.316 7.614 1.00 0.23 C ATOM 1078 O PHE A 289 1.992 -2.545 7.658 1.00 0.26 O ATOM 1079 CB PHE A 289 3.991 -0.654 6.419 1.00 0.38 C ATOM 1080 CG PHE A 289 4.523 -2.064 6.454 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.491 -2.858 5.328 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.055 -2.585 7.621 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.982 -4.151 5.362 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.543 -3.876 7.664 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.509 -4.660 6.531 1.00 0.26 C ATOM 0 H PHE A 289 2.797 1.491 6.724 1.00 0.23 H new ATOM 0 HA PHE A 289 2.065 -0.993 5.500 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.378 -0.154 5.531 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.375 -0.112 7.283 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.078 -2.467 4.410 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.089 -1.973 8.510 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.953 -4.763 4.472 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.950 -4.270 8.583 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.893 -5.669 6.558 1.00 0.26 H new ATOM 1095 N THR A 290 1.384 -0.572 8.566 1.00 0.24 N ATOM 1096 CA THR A 290 0.980 -1.090 9.866 1.00 0.27 C ATOM 1097 C THR A 290 -0.017 -2.247 9.780 1.00 0.23 C ATOM 1098 O THR A 290 -0.429 -2.790 10.804 1.00 0.28 O ATOM 1099 CB THR A 290 0.350 0.043 10.681 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.632 0.715 9.879 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.406 1.036 11.139 1.00 0.44 C ATOM 0 H THR A 290 1.206 0.426 8.455 1.00 0.24 H new ATOM 0 HA THR A 290 1.880 -1.478 10.343 1.00 0.27 H new ATOM 0 HB THR A 290 -0.122 -0.384 11.566 1.00 0.36 H new ATOM 0 HG1 THR A 290 -1.038 1.440 10.399 1.00 0.62 H new ATOM 0 HG21 THR A 290 0.932 1.831 11.716 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.141 0.525 11.761 1.00 0.44 H new ATOM 0 HG23 THR A 290 1.903 1.466 10.269 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.380 -2.646 8.568 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.417 -3.629 8.388 1.00 0.16 C ATOM 1111 C HIS A 291 -1.348 -4.229 7.004 1.00 0.14 C ATOM 1112 O HIS A 291 -2.375 -4.549 6.400 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.804 -3.036 8.656 1.00 0.20 C ATOM 1114 CG HIS A 291 -3.010 -1.622 8.186 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.630 -1.170 6.941 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.627 -0.578 8.787 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -3.009 0.089 6.800 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.621 0.476 7.902 1.00 0.77 N ATOM 0 H HIS A 291 0.033 -2.299 7.702 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.252 -4.423 9.116 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.549 -3.671 8.177 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.994 -3.074 9.729 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.048 -0.573 9.782 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.844 0.700 5.925 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -4.022 1.399 8.070 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.136 -4.355 6.483 1.00 0.16 N ATOM 1128 CA VAL A 292 0.078 -5.143 5.287 1.00 0.15 C ATOM 1129 C VAL A 292 1.246 -6.057 5.431 1.00 0.19 C ATOM 1130 O VAL A 292 2.276 -5.739 6.024 1.00 0.22 O ATOM 1131 CB VAL A 292 0.279 -4.276 4.031 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.968 -3.500 3.722 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.452 -3.335 4.211 1.00 0.31 C ATOM 0 H VAL A 292 0.705 -3.924 6.868 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.832 -5.729 5.160 1.00 0.15 H new ATOM 0 HB VAL A 292 0.494 -4.938 3.192 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.807 -2.893 2.831 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.792 -4.191 3.546 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.211 -2.852 4.564 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.576 -2.732 3.312 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.267 -2.681 5.063 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.359 -3.914 4.388 1.00 0.31 H new ATOM 1143 N ARG A 293 1.011 -7.213 4.905 1.00 0.22 N ATOM 1144 CA ARG A 293 2.021 -8.167 4.634 1.00 0.21 C ATOM 1145 C ARG A 293 2.342 -7.920 3.197 1.00 0.32 C ATOM 1146 O ARG A 293 1.551 -7.281 2.538 1.00 0.70 O ATOM 1147 CB ARG A 293 1.449 -9.555 4.807 1.00 0.19 C ATOM 1148 CG ARG A 293 0.340 -9.622 5.831 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.481 -10.880 5.673 1.00 0.26 C ATOM 1150 NE ARG A 293 0.350 -12.081 5.676 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.094 -13.308 5.419 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.382 -13.521 5.176 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.751 -14.328 5.414 1.00 0.60 N ATOM 0 H ARG A 293 0.075 -7.525 4.645 1.00 0.22 H new ATOM 0 HA ARG A 293 2.891 -8.089 5.286 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.069 -9.906 3.847 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.248 -10.235 5.102 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.766 -9.587 6.834 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.305 -8.749 5.728 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.209 -10.941 6.482 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.043 -10.831 4.741 1.00 0.26 H new ATOM 0 HE ARG A 293 1.341 -11.971 5.890 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.039 -12.741 5.186 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.715 -14.465 4.980 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.740 -14.172 5.607 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.412 -15.270 5.217 1.00 0.60 H new ATOM 1167 N LEU A 294 3.473 -8.312 2.703 1.00 0.18 N ATOM 1168 CA LEU A 294 3.686 -8.160 1.279 1.00 0.18 C ATOM 1169 C LEU A 294 3.819 -9.477 0.530 1.00 0.21 C ATOM 1170 O LEU A 294 3.913 -10.561 1.111 1.00 0.30 O ATOM 1171 CB LEU A 294 4.892 -7.295 0.965 1.00 0.22 C ATOM 1172 CG LEU A 294 5.210 -6.183 1.965 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.430 -5.408 1.518 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.031 -5.244 2.139 1.00 0.58 C ATOM 0 H LEU A 294 4.242 -8.725 3.230 1.00 0.18 H new ATOM 0 HA LEU A 294 2.780 -7.666 0.929 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.765 -7.942 0.885 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.741 -6.841 -0.014 1.00 0.22 H new ATOM 0 HG LEU A 294 5.416 -6.649 2.929 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.645 -4.620 2.239 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.285 -6.081 1.451 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.241 -4.964 0.541 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.289 -4.465 2.856 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.785 -4.788 1.180 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.171 -5.804 2.506 1.00 0.58 H new ATOM 1186 N LEU A 295 3.805 -9.327 -0.781 1.00 0.20 N ATOM 1187 CA LEU A 295 3.912 -10.383 -1.737 1.00 0.22 C ATOM 1188 C LEU A 295 5.019 -10.047 -2.739 1.00 0.28 C ATOM 1189 O LEU A 295 5.620 -8.970 -2.677 1.00 0.31 O ATOM 1190 CB LEU A 295 2.600 -10.461 -2.482 1.00 0.23 C ATOM 1191 CG LEU A 295 1.848 -11.776 -2.396 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.133 -11.839 -1.070 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.865 -11.911 -3.550 1.00 0.28 C ATOM 0 H LEU A 295 3.713 -8.410 -1.219 1.00 0.20 H new ATOM 0 HA LEU A 295 4.141 -11.326 -1.240 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.949 -9.671 -2.109 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.792 -10.246 -3.533 1.00 0.23 H new ATOM 0 HG LEU A 295 2.552 -12.605 -2.469 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.588 -12.780 -0.995 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.861 -11.776 -0.261 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.433 -11.007 -0.994 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.337 -12.861 -3.469 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.147 -11.092 -3.514 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.407 -11.877 -4.495 1.00 0.28 H new ATOM 1205 N ASP A 296 5.227 -10.926 -3.703 1.00 0.39 N ATOM 1206 CA ASP A 296 6.292 -10.766 -4.676 1.00 0.50 C ATOM 1207 C ASP A 296 5.789 -10.088 -5.952 1.00 0.73 C ATOM 1208 O ASP A 296 5.694 -10.715 -7.002 1.00 1.81 O ATOM 1209 CB ASP A 296 6.926 -12.127 -4.989 1.00 0.84 C ATOM 1210 CG ASP A 296 5.924 -13.161 -5.479 1.00 1.76 C ATOM 1211 OD1 ASP A 296 5.067 -13.596 -4.683 1.00 2.44 O ATOM 1212 OD2 ASP A 296 5.977 -13.532 -6.671 1.00 2.42 O ATOM 0 H ASP A 296 4.665 -11.767 -3.833 1.00 0.39 H new ATOM 0 HA ASP A 296 7.053 -10.116 -4.245 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.699 -11.994 -5.746 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.418 -12.505 -4.093 1.00 0.84 H new ATOM 1217 N GLN A 297 5.466 -8.793 -5.822 1.00 0.53 N ATOM 1218 CA GLN A 297 5.063 -7.923 -6.954 1.00 0.41 C ATOM 1219 C GLN A 297 4.215 -8.659 -7.990 1.00 0.64 C ATOM 1220 O GLN A 297 3.029 -8.917 -7.712 1.00 1.25 O ATOM 1221 CB GLN A 297 6.291 -7.299 -7.632 1.00 0.51 C ATOM 1222 CG GLN A 297 7.551 -8.133 -7.531 1.00 0.88 C ATOM 1223 CD GLN A 297 8.680 -7.569 -8.357 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.873 -7.937 -9.515 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.415 -6.646 -7.771 1.00 1.02 N ATOM 1226 OXT GLN A 297 4.736 -8.963 -9.084 1.00 1.41 O ATOM 0 H GLN A 297 5.475 -8.309 -4.924 1.00 0.53 H new ATOM 0 HA GLN A 297 4.446 -7.132 -6.528 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.064 -7.131 -8.685 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.480 -6.322 -7.187 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.862 -8.192 -6.488 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.338 -9.150 -7.859 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.218 -6.372 -6.808 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.181 -6.205 -8.280 1.00 1.02 H new