USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=8 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= -2.17! USER MOD Set 1.2: A 291 HIS : no HD1:sc= -2.19 K(o=-4.4,f=-3.1) USER MOD Set 2.1: A 240 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 281 ASN : amide:sc= -2.65! K(o=-2.7!,f=-0.1) 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= -2.01! K(o=-2!,f=-0.71) 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 12:sc= 1.25 USER MOD Single : A 266 LYS NZ :NH3+ -136:sc= 0.805 (180deg=0.00398) USER MOD Single : A 268 THR OG1 : rot -9:sc= 1.01 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot -45:sc= -22.3! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HE2:sc= -0.0999 K(o=-0.1,f=-1.3) USER MOD Single : A 297 GLN : amide:sc= 0.985 K(o=0.98,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.126 -2.240 -8.441 1.00 0.40 N ATOM 263 CA PRO A 238 5.281 -2.209 -7.252 1.00 0.28 C ATOM 264 C PRO A 238 4.831 -3.553 -6.816 1.00 0.28 C ATOM 265 O PRO A 238 4.333 -4.381 -7.581 1.00 0.41 O ATOM 266 CB PRO A 238 4.122 -1.323 -7.642 1.00 0.25 C ATOM 267 CG PRO A 238 4.031 -1.462 -9.108 1.00 0.59 C ATOM 268 CD PRO A 238 5.450 -1.621 -9.590 1.00 0.43 C ATOM 0 HA PRO A 238 5.827 -1.831 -6.388 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.199 -1.638 -7.155 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.298 -0.287 -7.351 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.425 -2.325 -9.383 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.561 -0.587 -9.556 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.506 -2.251 -10.478 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.897 -0.662 -9.851 1.00 0.43 H new ATOM 276 N PHE A 239 5.010 -3.717 -5.546 1.00 0.24 N ATOM 277 CA PHE A 239 4.888 -4.990 -4.920 1.00 0.26 C ATOM 278 C PHE A 239 3.446 -5.272 -4.596 1.00 0.22 C ATOM 279 O PHE A 239 2.682 -4.352 -4.365 1.00 0.26 O ATOM 280 CB PHE A 239 5.709 -5.036 -3.640 1.00 0.38 C ATOM 281 CG PHE A 239 7.201 -5.036 -3.814 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.817 -5.869 -4.728 1.00 0.56 C ATOM 283 CD2 PHE A 239 7.989 -4.244 -3.008 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.194 -5.906 -4.837 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.363 -4.266 -3.115 1.00 0.79 C ATOM 286 CZ PHE A 239 9.967 -5.101 -4.031 1.00 0.78 C ATOM 0 H PHE A 239 5.248 -2.959 -4.906 1.00 0.24 H new ATOM 0 HA PHE A 239 5.261 -5.747 -5.610 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.435 -4.179 -3.025 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.428 -5.930 -3.084 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.215 -6.499 -5.365 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.523 -3.596 -2.281 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.663 -6.565 -5.553 1.00 0.71 H new ATOM 0 HE2 PHE A 239 9.965 -3.631 -2.483 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.043 -5.123 -4.116 1.00 0.78 H new ATOM 296 N TYR A 240 3.070 -6.532 -4.529 1.00 0.22 N ATOM 297 CA TYR A 240 1.754 -6.852 -4.101 1.00 0.21 C ATOM 298 C TYR A 240 1.856 -6.896 -2.615 1.00 0.19 C ATOM 299 O TYR A 240 2.965 -6.939 -2.091 1.00 0.23 O ATOM 300 CB TYR A 240 1.293 -8.203 -4.654 1.00 0.24 C ATOM 301 CG TYR A 240 0.343 -8.138 -5.832 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.498 -7.051 -6.025 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.254 -9.200 -6.725 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.397 -7.022 -7.069 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.637 -9.172 -7.781 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.463 -8.082 -7.945 1.00 0.69 C ATOM 307 OH TYR A 240 -2.366 -8.058 -8.982 1.00 0.88 O ATOM 0 H TYR A 240 3.659 -7.331 -4.765 1.00 0.22 H new ATOM 0 HA TYR A 240 1.021 -6.127 -4.454 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.173 -8.773 -4.951 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.809 -8.758 -3.850 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.447 -6.213 -5.345 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.892 -10.061 -6.591 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -2.048 -6.170 -7.200 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.685 -10.000 -8.473 1.00 0.79 H new ATOM 0 HH TYR A 240 -2.283 -8.881 -9.507 1.00 0.88 H new ATOM 317 N ALA A 241 0.767 -6.824 -1.926 1.00 0.14 N ATOM 318 CA ALA A 241 0.831 -6.948 -0.515 1.00 0.15 C ATOM 319 C ALA A 241 -0.470 -7.398 0.064 1.00 0.11 C ATOM 320 O ALA A 241 -1.509 -6.804 -0.181 1.00 0.12 O ATOM 321 CB ALA A 241 1.299 -5.648 0.110 1.00 0.24 C ATOM 0 H ALA A 241 -0.166 -6.682 -2.314 1.00 0.14 H new ATOM 0 HA ALA A 241 1.562 -7.722 -0.280 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.343 -5.760 1.193 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.290 -5.398 -0.269 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.601 -4.850 -0.144 1.00 0.24 H new ATOM 327 N ARG A 242 -0.410 -8.446 0.850 1.00 0.10 N ATOM 328 CA ARG A 242 -1.592 -9.011 1.394 1.00 0.08 C ATOM 329 C ARG A 242 -2.025 -8.154 2.557 1.00 0.08 C ATOM 330 O ARG A 242 -1.442 -8.205 3.636 1.00 0.11 O ATOM 331 CB ARG A 242 -1.305 -10.428 1.842 1.00 0.10 C ATOM 332 CG ARG A 242 -2.438 -11.096 2.629 1.00 0.10 C ATOM 333 CD ARG A 242 -3.549 -11.620 1.744 1.00 0.11 C ATOM 334 NE ARG A 242 -3.065 -12.508 0.687 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.864 -13.136 -0.179 1.00 0.35 C ATOM 336 NH1 ARG A 242 -5.182 -12.978 -0.110 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.340 -13.932 -1.104 1.00 0.43 N ATOM 0 H ARG A 242 0.454 -8.916 1.120 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.390 -9.044 0.652 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.086 -11.034 0.963 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.406 -10.424 2.459 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.029 -11.920 3.214 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.853 -10.378 3.336 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.273 -12.155 2.358 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.074 -10.778 1.292 1.00 0.11 H new ATOM 0 HE ARG A 242 -2.059 -12.656 0.607 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.587 -12.375 0.606 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.789 -13.460 -0.774 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.329 -14.062 -1.152 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.948 -14.413 -1.767 1.00 0.43 H new ATOM 351 N VAL A 243 -3.020 -7.342 2.315 1.00 0.07 N ATOM 352 CA VAL A 243 -3.533 -6.466 3.315 1.00 0.08 C ATOM 353 C VAL A 243 -4.050 -7.286 4.470 1.00 0.11 C ATOM 354 O VAL A 243 -4.622 -8.347 4.268 1.00 0.14 O ATOM 355 CB VAL A 243 -4.656 -5.585 2.744 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.776 -6.419 2.169 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.196 -4.703 3.826 1.00 0.18 C ATOM 0 H VAL A 243 -3.493 -7.275 1.414 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.734 -5.810 3.659 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.237 -4.981 1.940 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.552 -5.763 1.774 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.388 -7.046 1.366 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.198 -7.051 2.951 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.992 -4.078 3.422 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.592 -5.319 4.634 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.397 -4.069 4.211 1.00 0.18 H new ATOM 367 N ILE A 244 -3.825 -6.824 5.677 1.00 0.12 N ATOM 368 CA ILE A 244 -4.301 -7.569 6.821 1.00 0.16 C ATOM 369 C ILE A 244 -5.056 -6.698 7.779 1.00 0.13 C ATOM 370 O ILE A 244 -5.368 -7.134 8.876 1.00 0.17 O ATOM 371 CB ILE A 244 -3.207 -8.309 7.603 1.00 0.30 C ATOM 372 CG1 ILE A 244 -1.929 -7.477 7.719 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.934 -9.657 6.971 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.650 -6.994 9.125 1.00 0.61 C ATOM 0 H ILE A 244 -3.329 -5.959 5.892 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.959 -8.320 6.384 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.569 -8.471 8.618 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.084 -8.073 7.374 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.004 -6.616 7.055 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.156 -10.172 7.535 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.845 -10.255 6.981 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.603 -9.516 5.942 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.729 -6.411 9.133 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.477 -6.371 9.467 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.543 -7.851 9.790 1.00 0.61 H new ATOM 386 N GLN A 245 -5.315 -5.475 7.356 1.00 0.11 N ATOM 387 CA GLN A 245 -6.214 -4.561 8.059 1.00 0.12 C ATOM 388 C GLN A 245 -6.384 -3.301 7.244 1.00 0.11 C ATOM 389 O GLN A 245 -5.556 -2.399 7.258 1.00 0.12 O ATOM 390 CB GLN A 245 -5.722 -4.220 9.475 1.00 0.15 C ATOM 391 CG GLN A 245 -6.225 -5.176 10.548 1.00 0.21 C ATOM 392 CD GLN A 245 -5.854 -4.752 11.954 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.780 -5.084 12.447 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.743 -4.030 12.616 1.00 1.20 N ATOM 0 H GLN A 245 -4.907 -5.079 6.509 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.174 -5.064 8.175 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.632 -4.223 9.481 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -6.039 -3.208 9.726 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.310 -5.254 10.475 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.820 -6.170 10.357 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.625 -3.774 12.172 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.547 -3.729 13.571 1.00 1.20 H new ATOM 403 N LYS A 246 -7.442 -3.290 6.482 1.00 0.12 N ATOM 404 CA LYS A 246 -7.816 -2.151 5.685 1.00 0.12 C ATOM 405 C LYS A 246 -9.309 -1.995 5.808 1.00 0.15 C ATOM 406 O LYS A 246 -10.017 -2.953 6.124 1.00 0.19 O ATOM 407 CB LYS A 246 -7.339 -2.403 4.264 1.00 0.12 C ATOM 408 CG LYS A 246 -7.049 -1.189 3.361 1.00 0.13 C ATOM 409 CD LYS A 246 -5.682 -1.337 2.720 1.00 0.14 C ATOM 410 CE LYS A 246 -4.603 -0.830 3.618 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.269 -0.911 2.961 1.00 0.21 N ATOM 0 H LYS A 246 -8.079 -4.082 6.395 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.359 -1.217 6.013 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.428 -2.999 4.321 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.090 -3.015 3.765 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.815 -1.107 2.590 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.088 -0.271 3.947 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.500 -2.386 2.486 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.659 -0.791 1.777 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.813 0.203 3.894 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.592 -1.410 4.541 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.540 -0.552 3.610 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.060 -1.901 2.720 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.274 -0.337 2.094 1.00 0.21 H new ATOM 425 N ARG A 247 -9.777 -0.811 5.579 1.00 0.16 N ATOM 426 CA ARG A 247 -11.169 -0.508 5.710 1.00 0.16 C ATOM 427 C ARG A 247 -11.790 -0.688 4.346 1.00 0.14 C ATOM 428 O ARG A 247 -11.059 -0.903 3.381 1.00 0.14 O ATOM 429 CB ARG A 247 -11.322 0.928 6.190 1.00 0.17 C ATOM 430 CG ARG A 247 -10.723 1.923 5.223 1.00 0.18 C ATOM 431 CD ARG A 247 -11.000 3.363 5.607 1.00 0.23 C ATOM 432 NE ARG A 247 -12.408 3.717 5.422 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.828 4.949 5.127 1.00 0.63 C ATOM 434 NH1 ARG A 247 -11.964 5.953 5.091 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.112 5.182 4.878 1.00 0.63 N ATOM 0 H ARG A 247 -9.201 -0.019 5.293 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.659 -1.160 6.433 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.380 1.151 6.329 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.843 1.037 7.163 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.645 1.767 5.171 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.120 1.736 4.225 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.720 3.521 6.648 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.377 4.025 5.005 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.107 2.981 5.524 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -10.978 5.784 5.289 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.285 6.894 4.865 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.785 4.416 4.912 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.425 6.127 4.653 1.00 0.63 H new ATOM 449 N VAL A 248 -13.103 -0.688 4.243 1.00 0.15 N ATOM 450 CA VAL A 248 -13.703 -0.517 2.950 1.00 0.15 C ATOM 451 C VAL A 248 -14.063 0.949 2.755 1.00 0.14 C ATOM 452 O VAL A 248 -15.128 1.414 3.169 1.00 0.16 O ATOM 453 CB VAL A 248 -14.924 -1.429 2.725 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.731 -0.947 1.535 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.466 -2.855 2.493 1.00 0.21 C ATOM 0 H VAL A 248 -13.754 -0.802 5.020 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.972 -0.819 2.200 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.555 -1.394 3.613 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.590 -1.602 1.389 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.077 0.070 1.718 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.107 -0.963 0.642 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.334 -3.495 2.335 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.823 -2.892 1.614 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.911 -3.205 3.363 1.00 0.21 H new ATOM 465 N PRO A 249 -13.127 1.712 2.187 1.00 0.13 N ATOM 466 CA PRO A 249 -13.338 3.044 1.753 1.00 0.15 C ATOM 467 C PRO A 249 -13.615 3.028 0.265 1.00 0.16 C ATOM 468 O PRO A 249 -14.199 2.079 -0.255 1.00 0.17 O ATOM 469 CB PRO A 249 -11.978 3.703 2.062 1.00 0.16 C ATOM 470 CG PRO A 249 -10.976 2.592 2.037 1.00 0.14 C ATOM 471 CD PRO A 249 -11.759 1.331 1.895 1.00 0.13 C ATOM 0 HA PRO A 249 -14.175 3.561 2.223 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.735 4.466 1.322 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.993 4.195 3.034 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.280 2.714 1.207 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.383 2.582 2.952 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.669 0.920 0.890 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.405 0.565 2.585 1.00 0.13 H new ATOM 479 N ASN A 250 -13.186 4.066 -0.392 1.00 0.17 N ATOM 480 CA ASN A 250 -13.152 4.134 -1.837 1.00 0.20 C ATOM 481 C ASN A 250 -12.300 5.316 -2.207 1.00 0.21 C ATOM 482 O ASN A 250 -11.740 5.976 -1.328 1.00 0.19 O ATOM 483 CB ASN A 250 -14.537 4.279 -2.478 1.00 0.24 C ATOM 484 CG ASN A 250 -15.192 2.954 -2.838 1.00 0.69 C ATOM 485 OD1 ASN A 250 -16.412 2.824 -2.785 1.00 1.18 O ATOM 486 ND2 ASN A 250 -14.395 1.968 -3.223 1.00 1.28 N ATOM 0 H ASN A 250 -12.841 4.910 0.065 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.746 3.195 -2.214 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -15.189 4.821 -1.793 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -14.448 4.886 -3.379 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -14.791 1.066 -3.487 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -13.386 2.111 -3.255 1.00 1.28 H new ATOM 493 N ALA A 251 -12.203 5.596 -3.483 1.00 0.26 N ATOM 494 CA ALA A 251 -11.387 6.697 -3.932 1.00 0.31 C ATOM 495 C ALA A 251 -12.017 8.036 -3.557 1.00 0.37 C ATOM 496 O ALA A 251 -11.368 9.079 -3.626 1.00 0.42 O ATOM 497 CB ALA A 251 -11.165 6.603 -5.429 1.00 0.39 C ATOM 0 H ALA A 251 -12.676 5.080 -4.225 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.420 6.637 -3.432 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.548 7.439 -5.758 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.661 5.665 -5.664 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.126 6.637 -5.942 1.00 0.39 H new ATOM 503 N TYR A 252 -13.273 8.000 -3.129 1.00 0.39 N ATOM 504 CA TYR A 252 -13.974 9.207 -2.713 1.00 0.47 C ATOM 505 C TYR A 252 -13.473 9.663 -1.358 1.00 0.46 C ATOM 506 O TYR A 252 -13.672 10.803 -0.941 1.00 0.56 O ATOM 507 CB TYR A 252 -15.481 8.955 -2.624 1.00 0.57 C ATOM 508 CG TYR A 252 -15.945 8.273 -1.352 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.465 7.028 -0.979 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.880 8.883 -0.532 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.901 6.410 0.179 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.322 8.278 0.628 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.830 7.041 0.980 1.00 1.98 C ATOM 514 OH TYR A 252 -17.270 6.432 2.133 1.00 2.53 O ATOM 0 H TYR A 252 -13.827 7.146 -3.061 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.781 9.980 -3.457 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.999 9.909 -2.716 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.783 8.345 -3.476 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.737 6.531 -1.604 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.271 9.852 -0.806 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.516 5.439 0.454 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.049 8.772 1.255 1.00 1.76 H new ATOM 0 HH TYR A 252 -17.922 7.011 2.581 1.00 2.53 H new ATOM 524 N ASP A 253 -12.832 8.744 -0.680 1.00 0.40 N ATOM 525 CA ASP A 253 -12.424 8.939 0.670 1.00 0.43 C ATOM 526 C ASP A 253 -10.960 9.187 0.719 1.00 0.38 C ATOM 527 O ASP A 253 -10.198 8.255 0.992 1.00 0.34 O ATOM 528 CB ASP A 253 -12.647 7.661 1.408 1.00 0.44 C ATOM 529 CG ASP A 253 -13.238 7.842 2.795 1.00 0.56 C ATOM 530 OD1 ASP A 253 -12.488 8.199 3.725 1.00 0.88 O ATOM 531 OD2 ASP A 253 -14.451 7.602 2.968 1.00 0.80 O ATOM 0 H ASP A 253 -12.581 7.833 -1.063 1.00 0.40 H new ATOM 0 HA ASP A 253 -12.980 9.775 1.096 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.311 7.026 0.822 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.697 7.134 1.495 1.00 0.44 H new ATOM 536 N LYS A 254 -10.547 10.406 0.435 1.00 0.43 N ATOM 537 CA LYS A 254 -9.146 10.763 0.563 1.00 0.41 C ATOM 538 C LYS A 254 -8.305 9.948 -0.414 1.00 0.31 C ATOM 539 O LYS A 254 -7.083 10.027 -0.402 1.00 0.28 O ATOM 540 CB LYS A 254 -8.713 10.443 1.987 1.00 0.45 C ATOM 541 CG LYS A 254 -9.663 10.990 3.030 1.00 0.60 C ATOM 542 CD LYS A 254 -9.307 10.487 4.415 1.00 0.74 C ATOM 543 CE LYS A 254 -9.575 8.995 4.546 1.00 0.79 C ATOM 544 NZ LYS A 254 -8.852 8.412 5.702 1.00 1.32 N ATOM 0 H LYS A 254 -11.154 11.161 0.117 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.008 11.821 0.342 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.637 9.362 2.104 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.718 10.853 2.159 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.633 12.080 3.017 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.684 10.697 2.785 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.255 10.689 4.619 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -9.886 11.030 5.162 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -10.645 8.825 4.662 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -9.269 8.488 3.631 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -9.057 7.394 5.762 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -7.829 8.553 5.578 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -9.162 8.880 6.577 1.00 1.32 H new ATOM 558 N THR A 255 -9.012 9.170 -1.233 1.00 0.28 N ATOM 559 CA THR A 255 -8.474 8.096 -2.027 1.00 0.22 C ATOM 560 C THR A 255 -7.902 7.054 -1.091 1.00 0.15 C ATOM 561 O THR A 255 -6.776 7.172 -0.605 1.00 0.14 O ATOM 562 CB THR A 255 -7.464 8.512 -3.142 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.331 9.216 -2.622 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.152 9.375 -4.190 1.00 0.55 C ATOM 0 H THR A 255 -10.018 9.286 -1.358 1.00 0.28 H new ATOM 0 HA THR A 255 -9.301 7.685 -2.606 1.00 0.22 H new ATOM 0 HB THR A 255 -7.105 7.588 -3.596 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.313 9.131 -1.646 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.433 9.656 -4.959 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.969 8.814 -4.644 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.548 10.274 -3.718 1.00 0.55 H new ATOM 572 N ALA A 256 -8.772 6.136 -0.701 1.00 0.13 N ATOM 573 CA ALA A 256 -8.389 5.004 0.112 1.00 0.11 C ATOM 574 C ALA A 256 -8.737 3.667 -0.543 1.00 0.10 C ATOM 575 O ALA A 256 -9.530 3.593 -1.485 1.00 0.12 O ATOM 576 CB ALA A 256 -8.997 5.137 1.491 1.00 0.13 C ATOM 0 H ALA A 256 -9.763 6.159 -0.942 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.303 5.008 0.208 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.706 4.282 2.101 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.640 6.055 1.959 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.083 5.171 1.408 1.00 0.13 H new ATOM 582 N LEU A 257 -8.153 2.615 0.012 1.00 0.10 N ATOM 583 CA LEU A 257 -8.189 1.268 -0.557 1.00 0.09 C ATOM 584 C LEU A 257 -9.307 0.427 0.003 1.00 0.09 C ATOM 585 O LEU A 257 -9.316 0.142 1.199 1.00 0.11 O ATOM 586 CB LEU A 257 -6.899 0.544 -0.217 1.00 0.11 C ATOM 587 CG LEU A 257 -5.666 0.909 -0.984 1.00 0.19 C ATOM 588 CD1 LEU A 257 -5.995 1.310 -2.392 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.904 2.002 -0.283 1.00 0.21 C ATOM 0 H LEU A 257 -7.630 2.671 0.886 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.334 1.392 -1.630 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.694 0.706 0.841 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.071 -0.524 -0.349 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.032 0.024 -1.031 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.077 1.569 -2.921 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.486 0.481 -2.901 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.661 2.173 -2.378 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.012 2.251 -0.858 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.536 2.886 -0.193 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.612 1.662 0.711 1.00 0.21 H new ATOM 601 N ALA A 258 -10.194 -0.041 -0.860 1.00 0.10 N ATOM 602 CA ALA A 258 -11.303 -0.856 -0.400 1.00 0.11 C ATOM 603 C ALA A 258 -10.956 -2.310 -0.431 1.00 0.11 C ATOM 604 O ALA A 258 -11.073 -2.984 -1.453 1.00 0.14 O ATOM 605 CB ALA A 258 -12.527 -0.604 -1.222 1.00 0.14 C ATOM 0 H ALA A 258 -10.169 0.126 -1.866 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.510 -0.574 0.632 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.344 -1.226 -0.858 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.808 0.446 -1.144 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.322 -0.848 -2.264 1.00 0.14 H new ATOM 611 N LEU A 259 -10.531 -2.777 0.710 1.00 0.10 N ATOM 612 CA LEU A 259 -10.217 -4.171 0.883 1.00 0.12 C ATOM 613 C LEU A 259 -10.339 -4.577 2.342 1.00 0.12 C ATOM 614 O LEU A 259 -10.464 -3.729 3.224 1.00 0.12 O ATOM 615 CB LEU A 259 -8.813 -4.470 0.372 1.00 0.14 C ATOM 616 CG LEU A 259 -7.947 -3.239 0.163 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.563 -3.471 0.696 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.890 -2.888 -1.296 1.00 0.55 C ATOM 0 H LEU A 259 -10.392 -2.206 1.544 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.934 -4.752 0.302 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.316 -5.134 1.079 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.890 -5.010 -0.572 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.391 -2.406 0.709 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.958 -2.579 0.537 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.616 -3.689 1.763 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.109 -4.314 0.176 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.267 -2.004 -1.434 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.465 -3.722 -1.855 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.897 -2.682 -1.660 1.00 0.55 H new ATOM 630 N GLU A 260 -10.302 -5.872 2.590 1.00 0.15 N ATOM 631 CA GLU A 260 -10.460 -6.398 3.935 1.00 0.16 C ATOM 632 C GLU A 260 -9.147 -6.978 4.425 1.00 0.15 C ATOM 633 O GLU A 260 -8.196 -7.119 3.670 1.00 0.16 O ATOM 634 CB GLU A 260 -11.574 -7.465 3.955 1.00 0.21 C ATOM 635 CG GLU A 260 -11.507 -8.459 5.111 1.00 0.23 C ATOM 636 CD GLU A 260 -12.834 -8.637 5.816 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.132 -7.847 6.735 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.579 -9.572 5.462 1.00 0.92 O ATOM 0 H GLU A 260 -10.163 -6.584 1.873 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.747 -5.588 4.606 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.539 -6.958 3.989 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.539 -8.020 3.018 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.170 -9.424 4.734 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.762 -8.121 5.831 1.00 0.23 H new ATOM 645 N VAL A 261 -9.082 -7.237 5.702 1.00 0.16 N ATOM 646 CA VAL A 261 -8.046 -8.064 6.260 1.00 0.16 C ATOM 647 C VAL A 261 -7.918 -9.386 5.511 1.00 0.17 C ATOM 648 O VAL A 261 -8.877 -10.151 5.400 1.00 0.21 O ATOM 649 CB VAL A 261 -8.367 -8.360 7.724 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.339 -9.298 8.340 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.473 -7.062 8.475 1.00 0.18 C ATOM 0 H VAL A 261 -9.748 -6.880 6.388 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.104 -7.523 6.172 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.324 -8.878 7.787 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.598 -9.488 9.382 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.331 -10.240 7.791 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.351 -8.840 8.289 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.702 -7.265 9.521 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.527 -6.525 8.408 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.267 -6.454 8.041 1.00 0.18 H new ATOM 661 N GLY A 262 -6.742 -9.630 4.976 1.00 0.17 N ATOM 662 CA GLY A 262 -6.460 -10.894 4.349 1.00 0.18 C ATOM 663 C GLY A 262 -6.614 -10.825 2.865 1.00 0.17 C ATOM 664 O GLY A 262 -6.435 -11.813 2.156 1.00 0.19 O ATOM 0 H GLY A 262 -5.967 -8.966 4.965 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.444 -11.203 4.595 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.130 -11.655 4.749 1.00 0.18 H new ATOM 668 N GLU A 263 -6.987 -9.658 2.416 1.00 0.16 N ATOM 669 CA GLU A 263 -7.114 -9.368 1.021 1.00 0.17 C ATOM 670 C GLU A 263 -5.775 -8.910 0.474 1.00 0.13 C ATOM 671 O GLU A 263 -4.743 -9.196 1.057 1.00 0.11 O ATOM 672 CB GLU A 263 -8.208 -8.335 0.945 1.00 0.18 C ATOM 673 CG GLU A 263 -9.424 -8.861 1.677 1.00 0.21 C ATOM 674 CD GLU A 263 -10.271 -9.799 0.845 1.00 0.51 C ATOM 675 OE1 GLU A 263 -11.086 -9.310 0.038 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.132 -11.031 1.007 1.00 0.75 O ATOM 0 H GLU A 263 -7.214 -8.871 3.023 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.382 -10.226 0.404 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.875 -7.398 1.391 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.456 -8.123 -0.095 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.099 -9.381 2.578 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -10.037 -8.019 1.998 1.00 0.21 H new ATOM 683 N LEU A 264 -5.769 -8.204 -0.613 1.00 0.17 N ATOM 684 CA LEU A 264 -4.512 -7.868 -1.259 1.00 0.18 C ATOM 685 C LEU A 264 -4.548 -6.440 -1.776 1.00 0.17 C ATOM 686 O LEU A 264 -5.605 -5.895 -2.090 1.00 0.31 O ATOM 687 CB LEU A 264 -4.324 -8.883 -2.374 1.00 0.48 C ATOM 688 CG LEU A 264 -2.956 -9.057 -3.056 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.604 -7.870 -3.894 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.850 -9.319 -2.063 1.00 0.83 C ATOM 0 H LEU A 264 -6.604 -7.846 -1.078 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.671 -7.913 -0.567 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.609 -9.856 -1.973 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -5.043 -8.638 -3.156 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.050 -9.931 -3.700 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.631 -8.029 -4.360 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.359 -7.734 -4.668 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.564 -6.980 -3.266 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.905 -9.435 -2.593 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.777 -8.481 -1.370 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.068 -10.231 -1.508 1.00 0.83 H new ATOM 702 N VAL A 265 -3.378 -5.861 -1.842 1.00 0.19 N ATOM 703 CA VAL A 265 -3.192 -4.496 -2.262 1.00 0.19 C ATOM 704 C VAL A 265 -1.866 -4.397 -3.005 1.00 0.24 C ATOM 705 O VAL A 265 -1.118 -5.356 -3.037 1.00 0.47 O ATOM 706 CB VAL A 265 -3.215 -3.563 -1.021 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.857 -3.438 -0.364 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.711 -2.190 -1.313 1.00 0.27 C ATOM 0 H VAL A 265 -2.508 -6.336 -1.600 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.996 -4.184 -2.929 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.915 -4.051 -0.343 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -1.929 -2.775 0.498 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.519 -4.421 -0.038 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.143 -3.028 -1.079 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.698 -1.597 -0.399 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -3.068 -1.722 -2.058 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.730 -2.245 -1.696 1.00 0.27 H new ATOM 718 N LYS A 266 -1.595 -3.289 -3.647 1.00 0.14 N ATOM 719 CA LYS A 266 -0.277 -3.056 -4.203 1.00 0.15 C ATOM 720 C LYS A 266 0.171 -1.673 -3.849 1.00 0.32 C ATOM 721 O LYS A 266 -0.654 -0.810 -3.623 1.00 0.74 O ATOM 722 CB LYS A 266 -0.243 -3.244 -5.722 1.00 0.26 C ATOM 723 CG LYS A 266 1.150 -2.976 -6.279 1.00 0.42 C ATOM 724 CD LYS A 266 1.226 -2.962 -7.796 1.00 0.57 C ATOM 725 CE LYS A 266 0.642 -4.218 -8.432 1.00 0.96 C ATOM 726 NZ LYS A 266 1.544 -5.396 -8.265 1.00 1.84 N ATOM 0 H LYS A 266 -2.263 -2.534 -3.800 1.00 0.14 H new ATOM 0 HA LYS A 266 0.400 -3.795 -3.774 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.548 -4.260 -5.972 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -0.961 -2.571 -6.191 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.501 -2.016 -5.901 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.832 -3.737 -5.900 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.693 -2.089 -8.173 1.00 0.57 H new ATOM 0 HD3 LYS A 266 2.267 -2.857 -8.101 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.327 -4.436 -7.983 1.00 0.96 H new ATOM 0 HE3 LYS A 266 0.469 -4.041 -9.493 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 1.601 -5.919 -9.162 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 2.494 -5.070 -7.993 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 1.166 -6.020 -7.524 1.00 1.84 H new ATOM 740 N VAL A 267 1.460 -1.464 -3.720 1.00 0.14 N ATOM 741 CA VAL A 267 1.929 -0.131 -3.540 1.00 0.16 C ATOM 742 C VAL A 267 2.699 0.315 -4.777 1.00 0.20 C ATOM 743 O VAL A 267 3.797 -0.146 -5.081 1.00 0.23 O ATOM 744 CB VAL A 267 2.739 0.026 -2.239 1.00 0.20 C ATOM 745 CG1 VAL A 267 4.097 -0.653 -2.302 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.847 1.486 -1.884 1.00 0.22 C ATOM 0 H VAL A 267 2.179 -2.187 -3.737 1.00 0.14 H new ATOM 0 HA VAL A 267 1.071 0.531 -3.425 1.00 0.16 H new ATOM 0 HB VAL A 267 2.201 -0.489 -1.443 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.621 -0.508 -1.357 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.963 -1.720 -2.482 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.683 -0.219 -3.112 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.420 1.595 -0.963 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.350 2.020 -2.690 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.849 1.901 -1.741 1.00 0.22 H new ATOM 756 N THR A 268 2.057 1.211 -5.488 1.00 0.21 N ATOM 757 CA THR A 268 2.502 1.701 -6.768 1.00 0.24 C ATOM 758 C THR A 268 2.760 3.204 -6.768 1.00 0.24 C ATOM 759 O THR A 268 3.145 3.764 -7.790 1.00 0.35 O ATOM 760 CB THR A 268 1.412 1.393 -7.809 1.00 0.26 C ATOM 761 OG1 THR A 268 1.719 1.992 -9.079 1.00 0.31 O ATOM 762 CG2 THR A 268 0.063 1.894 -7.292 1.00 0.24 C ATOM 0 H THR A 268 1.181 1.632 -5.180 1.00 0.21 H new ATOM 0 HA THR A 268 3.444 1.206 -7.003 1.00 0.24 H new ATOM 0 HB THR A 268 1.366 0.314 -7.959 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.485 2.595 -8.979 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.712 1.677 -8.027 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.176 1.392 -6.354 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.114 2.970 -7.125 1.00 0.24 H new ATOM 770 N LYS A 269 2.555 3.871 -5.652 1.00 0.20 N ATOM 771 CA LYS A 269 2.675 5.311 -5.652 1.00 0.23 C ATOM 772 C LYS A 269 3.631 5.760 -4.573 1.00 0.28 C ATOM 773 O LYS A 269 3.282 5.801 -3.415 1.00 0.45 O ATOM 774 CB LYS A 269 1.311 5.952 -5.415 1.00 0.25 C ATOM 775 CG LYS A 269 1.280 7.464 -5.615 1.00 0.49 C ATOM 776 CD LYS A 269 1.809 7.878 -6.981 1.00 0.59 C ATOM 777 CE LYS A 269 3.155 8.582 -6.866 1.00 0.49 C ATOM 778 NZ LYS A 269 3.739 8.897 -8.196 1.00 1.40 N ATOM 0 H LYS A 269 2.311 3.452 -4.755 1.00 0.20 H new ATOM 0 HA LYS A 269 3.059 5.623 -6.623 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.586 5.494 -6.088 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.989 5.726 -4.399 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.257 7.822 -5.500 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.875 7.943 -4.837 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.910 6.998 -7.616 1.00 0.59 H new ATOM 0 HD3 LYS A 269 1.091 8.540 -7.466 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.034 9.504 -6.297 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.847 7.951 -6.308 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 4.654 9.375 -8.069 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.880 8.016 -8.731 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 3.092 9.520 -8.720 1.00 1.40 H new ATOM 792 N ILE A 270 4.839 6.084 -4.945 1.00 0.31 N ATOM 793 CA ILE A 270 5.769 6.638 -3.983 1.00 0.34 C ATOM 794 C ILE A 270 5.525 8.133 -3.836 1.00 0.38 C ATOM 795 O ILE A 270 5.890 8.922 -4.704 1.00 0.42 O ATOM 796 CB ILE A 270 7.244 6.406 -4.362 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.386 5.607 -5.662 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.971 5.696 -3.236 1.00 0.61 C ATOM 799 CD1 ILE A 270 7.022 6.371 -6.920 1.00 1.44 C ATOM 0 H ILE A 270 5.205 5.979 -5.891 1.00 0.31 H new ATOM 0 HA ILE A 270 5.590 6.118 -3.042 1.00 0.34 H new ATOM 0 HB ILE A 270 7.694 7.385 -4.526 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.416 5.261 -5.749 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.756 4.720 -5.597 1.00 0.57 H new ATOM 0 HG21 ILE A 270 9.012 5.539 -3.517 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.927 6.305 -2.333 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.497 4.733 -3.047 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.153 5.726 -7.788 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.983 6.694 -6.862 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.668 7.244 -7.016 1.00 1.44 H new ATOM 877 N TRP A 276 2.526 5.723 1.576 1.00 0.41 N ATOM 878 CA TRP A 276 2.343 5.879 0.148 1.00 0.33 C ATOM 879 C TRP A 276 0.959 5.430 -0.278 1.00 0.23 C ATOM 880 O TRP A 276 0.129 5.044 0.551 1.00 0.22 O ATOM 881 CB TRP A 276 3.373 5.098 -0.666 1.00 0.41 C ATOM 882 CG TRP A 276 4.646 4.742 0.049 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.895 3.602 0.751 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.850 5.511 0.107 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.177 3.623 1.242 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.781 4.783 0.864 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.228 6.741 -0.405 1.00 0.52 C ATOM 888 CZ2 TRP A 276 8.068 5.251 1.119 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.503 7.212 -0.154 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.410 6.467 0.603 1.00 0.82 C ATOM 0 HA TRP A 276 2.473 6.942 -0.052 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.907 4.177 -1.017 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.628 5.683 -1.550 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.188 2.799 0.900 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.608 2.887 1.801 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.535 7.325 -0.993 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.769 4.673 1.703 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.803 8.171 -0.549 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.400 6.860 0.783 1.00 0.82 H new ATOM 901 N GLU A 277 0.730 5.492 -1.578 1.00 0.19 N ATOM 902 CA GLU A 277 -0.515 5.096 -2.169 1.00 0.16 C ATOM 903 C GLU A 277 -0.358 3.768 -2.836 1.00 0.19 C ATOM 904 O GLU A 277 0.744 3.269 -2.975 1.00 0.48 O ATOM 905 CB GLU A 277 -0.997 6.162 -3.141 1.00 0.15 C ATOM 906 CG GLU A 277 -1.852 7.194 -2.460 1.00 0.23 C ATOM 907 CD GLU A 277 -2.251 8.339 -3.365 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.906 8.084 -4.395 1.00 0.92 O ATOM 909 OE2 GLU A 277 -1.908 9.496 -3.051 1.00 1.03 O ATOM 0 H GLU A 277 1.419 5.824 -2.253 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.273 4.994 -1.392 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.138 6.649 -3.602 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.565 5.692 -3.944 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.752 6.713 -2.077 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.313 7.592 -1.600 1.00 0.23 H new ATOM 916 N GLY A 278 -1.465 3.202 -3.220 1.00 0.39 N ATOM 917 CA GLY A 278 -1.486 1.876 -3.728 1.00 0.34 C ATOM 918 C GLY A 278 -2.584 1.700 -4.731 1.00 0.28 C ATOM 919 O GLY A 278 -3.324 2.638 -5.027 1.00 0.32 O ATOM 0 H GLY A 278 -2.378 3.655 -3.186 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.526 1.645 -4.191 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.622 1.171 -2.908 1.00 0.34 H new ATOM 923 N GLU A 279 -2.699 0.502 -5.236 1.00 0.22 N ATOM 924 CA GLU A 279 -3.762 0.153 -6.117 1.00 0.18 C ATOM 925 C GLU A 279 -3.990 -1.323 -6.005 1.00 0.13 C ATOM 926 O GLU A 279 -3.090 -2.135 -6.216 1.00 0.14 O ATOM 927 CB GLU A 279 -3.485 0.531 -7.553 1.00 0.25 C ATOM 928 CG GLU A 279 -4.772 0.610 -8.338 1.00 0.27 C ATOM 929 CD GLU A 279 -4.935 -0.495 -9.356 1.00 0.66 C ATOM 930 OE1 GLU A 279 -5.246 -1.632 -8.950 1.00 0.99 O ATOM 931 OE2 GLU A 279 -4.778 -0.226 -10.562 1.00 1.08 O ATOM 0 H GLU A 279 -2.049 -0.260 -5.042 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.650 0.713 -5.823 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.971 1.491 -7.589 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.820 -0.204 -8.007 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.612 0.579 -7.644 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.816 1.572 -8.849 1.00 0.27 H new ATOM 938 N CYS A 280 -5.165 -1.650 -5.575 1.00 0.10 N ATOM 939 CA CYS A 280 -5.553 -3.010 -5.394 1.00 0.12 C ATOM 940 C CYS A 280 -6.610 -3.407 -6.391 1.00 0.15 C ATOM 941 O CYS A 280 -7.797 -3.269 -6.108 1.00 0.19 O ATOM 942 CB CYS A 280 -6.125 -3.079 -4.022 1.00 0.17 C ATOM 943 SG CYS A 280 -6.023 -1.505 -3.187 1.00 1.52 S ATOM 0 H CYS A 280 -5.890 -0.973 -5.337 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.705 -3.681 -5.533 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.167 -3.395 -4.077 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.593 -3.834 -3.443 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.841 -0.994 -3.367 1.00 1.52 H new ATOM 949 N ASN A 281 -6.182 -3.897 -7.544 1.00 0.18 N ATOM 950 CA ASN A 281 -7.103 -4.377 -8.571 1.00 0.25 C ATOM 951 C ASN A 281 -8.266 -3.398 -8.765 1.00 0.23 C ATOM 952 O ASN A 281 -9.413 -3.799 -8.970 1.00 0.32 O ATOM 953 CB ASN A 281 -7.622 -5.775 -8.207 1.00 0.33 C ATOM 954 CG ASN A 281 -6.567 -6.865 -8.375 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.893 -8.020 -8.653 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.294 -6.515 -8.210 1.00 0.69 N ATOM 0 H ASN A 281 -5.197 -3.974 -7.796 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.562 -4.443 -9.515 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.970 -5.770 -7.174 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.483 -6.011 -8.832 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.556 -7.212 -8.313 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.056 -5.550 -7.980 1.00 0.69 H new ATOM 963 N GLY A 282 -7.945 -2.107 -8.722 1.00 0.17 N ATOM 964 CA GLY A 282 -8.934 -1.080 -8.955 1.00 0.18 C ATOM 965 C GLY A 282 -9.377 -0.314 -7.714 1.00 0.16 C ATOM 966 O GLY A 282 -10.336 0.459 -7.780 1.00 0.28 O ATOM 0 H GLY A 282 -7.007 -1.757 -8.528 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.533 -0.369 -9.678 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.811 -1.539 -9.412 1.00 0.18 H new ATOM 970 N LYS A 283 -8.709 -0.512 -6.581 1.00 0.10 N ATOM 971 CA LYS A 283 -8.809 0.449 -5.488 1.00 0.10 C ATOM 972 C LYS A 283 -7.509 1.195 -5.406 1.00 0.09 C ATOM 973 O LYS A 283 -6.455 0.613 -5.614 1.00 0.12 O ATOM 974 CB LYS A 283 -9.068 -0.153 -4.099 1.00 0.11 C ATOM 975 CG LYS A 283 -10.302 -1.036 -3.980 1.00 0.15 C ATOM 976 CD LYS A 283 -10.139 -2.375 -4.674 1.00 0.14 C ATOM 977 CE LYS A 283 -11.420 -3.169 -4.633 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.407 -4.314 -5.576 1.00 0.38 N ATOM 0 H LYS A 283 -8.104 -1.313 -6.397 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.671 1.072 -5.724 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.196 -0.739 -3.809 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.157 0.662 -3.381 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.522 -1.203 -2.926 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.159 -0.514 -4.406 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.839 -2.217 -5.710 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.341 -2.942 -4.194 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.583 -3.538 -3.620 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.258 -2.514 -4.873 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.309 -4.828 -5.510 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.278 -3.963 -6.546 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.625 -4.955 -5.333 1.00 0.38 H new ATOM 992 N ARG A 284 -7.585 2.462 -5.089 1.00 0.07 N ATOM 993 CA ARG A 284 -6.402 3.277 -4.930 1.00 0.09 C ATOM 994 C ARG A 284 -6.543 4.167 -3.722 1.00 0.11 C ATOM 995 O ARG A 284 -7.649 4.554 -3.354 1.00 0.13 O ATOM 996 CB ARG A 284 -6.140 4.121 -6.151 1.00 0.11 C ATOM 997 CG ARG A 284 -6.094 3.287 -7.394 1.00 0.20 C ATOM 998 CD ARG A 284 -5.252 3.942 -8.462 1.00 0.35 C ATOM 999 NE ARG A 284 -5.348 3.253 -9.750 1.00 0.68 N ATOM 1000 CZ ARG A 284 -4.570 3.512 -10.800 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -3.700 4.514 -10.761 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -4.673 2.774 -11.897 1.00 1.46 N ATOM 0 H ARG A 284 -8.462 2.958 -4.934 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.555 2.604 -4.794 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.920 4.876 -6.247 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.195 4.652 -6.032 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.688 2.303 -7.160 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.106 3.133 -7.769 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.566 4.979 -8.583 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.211 3.960 -8.140 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.057 2.527 -9.850 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -3.624 5.091 -9.923 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -3.107 4.707 -11.569 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -5.347 2.009 -11.936 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -4.078 2.971 -12.702 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.424 4.495 -3.126 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.446 5.219 -1.885 1.00 0.14 C ATOM 1018 C GLY A 285 -4.178 5.056 -1.091 1.00 0.15 C ATOM 1019 O GLY A 285 -3.281 4.360 -1.514 1.00 0.24 O ATOM 0 H GLY A 285 -4.493 4.273 -3.479 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.607 6.277 -2.090 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.290 4.878 -1.286 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.116 5.660 0.084 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.910 5.650 0.877 1.00 0.12 C ATOM 1025 C HIS A 286 -3.179 5.108 2.248 1.00 0.12 C ATOM 1026 O HIS A 286 -4.240 5.352 2.818 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.320 7.051 0.992 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.330 8.153 1.137 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.201 8.257 2.205 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.592 9.214 0.339 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -4.951 9.334 2.052 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.599 9.930 0.930 1.00 0.23 N ATOM 0 H HIS A 286 -4.895 6.165 0.507 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.191 5.004 0.372 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.649 7.078 1.851 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.714 7.248 0.108 1.00 0.14 H new ATOM 0 HD1 HIS A 286 -4.256 7.605 2.988 1.00 0.21 H new ATOM 0 HD2 HIS A 286 -3.098 9.452 -0.592 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.721 9.669 2.731 1.00 0.25 H new ATOM 1041 N PHE A 287 -2.189 4.419 2.787 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.382 3.623 3.987 1.00 0.11 C ATOM 1043 C PHE A 287 -1.043 3.091 4.494 1.00 0.15 C ATOM 1044 O PHE A 287 -0.257 2.553 3.716 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.304 2.431 3.690 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.796 2.661 3.829 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.332 3.472 4.823 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.665 2.054 2.941 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.696 3.666 4.918 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.027 2.245 3.029 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.545 3.053 4.020 1.00 0.12 C ATOM 0 H PHE A 287 -1.241 4.394 2.412 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.834 4.260 4.747 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.107 2.096 2.672 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.024 1.613 4.354 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.674 3.956 5.529 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.269 1.418 2.163 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.098 4.298 5.696 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.688 1.763 2.323 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.612 3.205 4.093 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.757 3.266 5.796 1.00 0.17 N ATOM 1062 CA PRO A 288 0.398 2.670 6.468 1.00 0.23 C ATOM 1063 C PRO A 288 0.672 1.203 6.133 1.00 0.18 C ATOM 1064 O PRO A 288 -0.212 0.445 5.717 1.00 0.16 O ATOM 1065 CB PRO A 288 0.018 2.745 7.952 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.193 3.617 8.054 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.436 4.199 6.695 1.00 0.23 C ATOM 0 HA PRO A 288 1.301 3.199 6.164 1.00 0.23 H new ATOM 0 HB2 PRO A 288 -0.189 1.750 8.347 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.839 3.156 8.539 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -2.056 3.039 8.385 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.037 4.407 8.789 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.501 4.267 6.472 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.028 5.206 6.611 1.00 0.23 H new ATOM 1075 N PHE A 289 1.929 0.823 6.339 1.00 0.23 N ATOM 1076 CA PHE A 289 2.369 -0.570 6.236 1.00 0.26 C ATOM 1077 C PHE A 289 1.892 -1.355 7.442 1.00 0.23 C ATOM 1078 O PHE A 289 1.918 -2.587 7.443 1.00 0.26 O ATOM 1079 CB PHE A 289 3.890 -0.643 6.182 1.00 0.38 C ATOM 1080 CG PHE A 289 4.453 -2.035 6.284 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.429 -2.895 5.206 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.016 -2.476 7.471 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.958 -4.169 5.303 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.543 -3.748 7.579 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.516 -4.595 6.492 1.00 0.26 C ATOM 0 H PHE A 289 2.676 1.473 6.583 1.00 0.23 H new ATOM 0 HA PHE A 289 1.948 -0.993 5.324 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.229 -0.195 5.248 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.299 -0.039 6.992 1.00 0.38 H new ATOM 0 HD1 PHE A 289 3.991 -2.569 4.274 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.043 -1.815 8.325 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.935 -4.830 4.449 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.975 -4.078 8.512 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.930 -5.589 6.570 1.00 0.26 H new ATOM 1095 N THR A 290 1.429 -0.620 8.447 1.00 0.24 N ATOM 1096 CA THR A 290 1.082 -1.159 9.751 1.00 0.27 C ATOM 1097 C THR A 290 0.038 -2.275 9.687 1.00 0.23 C ATOM 1098 O THR A 290 -0.373 -2.803 10.718 1.00 0.28 O ATOM 1099 CB THR A 290 0.553 -0.035 10.652 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.559 0.612 10.019 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.642 0.987 10.941 1.00 0.44 C ATOM 0 H THR A 290 1.283 0.387 8.374 1.00 0.24 H new ATOM 0 HA THR A 290 1.995 -1.592 10.159 1.00 0.27 H new ATOM 0 HB THR A 290 0.232 -0.475 11.596 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.894 1.328 10.599 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.242 1.773 11.581 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.476 0.498 11.445 1.00 0.44 H new ATOM 0 HG23 THR A 290 1.989 1.423 10.004 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.385 -2.643 8.484 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.451 -3.596 8.326 1.00 0.16 C ATOM 1111 C HIS A 291 -1.408 -4.216 6.942 1.00 0.14 C ATOM 1112 O HIS A 291 -2.447 -4.533 6.358 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.821 -2.960 8.611 1.00 0.20 C ATOM 1114 CG HIS A 291 -3.000 -1.549 8.141 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.598 -1.101 6.905 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.612 -0.500 8.735 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.966 0.159 6.759 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.588 0.551 7.852 1.00 0.77 N ATOM 0 H HIS A 291 0.001 -2.289 7.609 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.306 -4.389 9.059 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.590 -3.577 8.146 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.996 -2.989 9.686 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.042 -0.490 9.726 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.786 0.769 5.886 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -3.984 1.477 8.014 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.201 -4.364 6.399 1.00 0.16 N ATOM 1128 CA VAL A 292 -0.017 -5.175 5.205 1.00 0.15 C ATOM 1129 C VAL A 292 1.128 -6.144 5.359 1.00 0.19 C ATOM 1130 O VAL A 292 2.154 -5.860 5.978 1.00 0.22 O ATOM 1131 CB VAL A 292 0.229 -4.325 3.949 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.994 -3.519 3.615 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.419 -3.413 4.137 1.00 0.31 C ATOM 0 H VAL A 292 0.651 -3.938 6.763 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.950 -5.725 5.081 1.00 0.15 H new ATOM 0 HB VAL A 292 0.444 -5.000 3.121 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.804 -2.922 2.723 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.833 -4.190 3.431 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.234 -2.859 4.449 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.571 -2.823 3.234 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.237 -2.746 4.980 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.309 -4.011 4.333 1.00 0.31 H new ATOM 1143 N ARG A 293 0.895 -7.304 4.815 1.00 0.22 N ATOM 1144 CA ARG A 293 1.931 -8.245 4.511 1.00 0.21 C ATOM 1145 C ARG A 293 2.265 -7.923 3.094 1.00 0.32 C ATOM 1146 O ARG A 293 1.477 -7.253 2.462 1.00 0.70 O ATOM 1147 CB ARG A 293 1.399 -9.662 4.567 1.00 0.19 C ATOM 1148 CG ARG A 293 0.300 -9.860 5.577 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.500 -11.063 5.187 1.00 0.26 C ATOM 1150 NE ARG A 293 0.154 -12.316 5.573 1.00 0.27 N ATOM 1151 CZ ARG A 293 0.324 -13.367 4.768 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -0.072 -13.321 3.502 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.916 -14.459 5.229 1.00 0.60 N ATOM 0 H ARG A 293 -0.040 -7.627 4.566 1.00 0.22 H new ATOM 0 HA ARG A 293 2.771 -8.183 5.203 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.027 -9.940 3.581 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.220 -10.339 4.800 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.722 -9.994 6.573 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.339 -8.978 5.617 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.483 -11.010 5.655 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.659 -11.056 4.109 1.00 0.26 H new ATOM 0 HE ARG A 293 0.505 -12.391 6.528 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -0.511 -12.477 3.135 1.00 1.09 H new ATOM 0 HH12 ARG A 293 0.063 -14.130 2.896 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.240 -14.494 6.196 1.00 0.60 H new ATOM 0 HH22 ARG A 293 1.048 -15.264 4.617 1.00 0.60 H new ATOM 1167 N LEU A 294 3.396 -8.297 2.585 1.00 0.18 N ATOM 1168 CA LEU A 294 3.598 -8.085 1.171 1.00 0.18 C ATOM 1169 C LEU A 294 3.785 -9.365 0.372 1.00 0.21 C ATOM 1170 O LEU A 294 3.869 -10.467 0.915 1.00 0.30 O ATOM 1171 CB LEU A 294 4.759 -7.157 0.890 1.00 0.22 C ATOM 1172 CG LEU A 294 5.036 -6.083 1.941 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.241 -5.264 1.546 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.829 -5.187 2.134 1.00 0.58 C ATOM 0 H LEU A 294 4.167 -8.732 3.092 1.00 0.18 H new ATOM 0 HA LEU A 294 2.669 -7.621 0.839 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.659 -7.761 0.772 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.579 -6.663 -0.065 1.00 0.22 H new ATOM 0 HG LEU A 294 5.243 -6.580 2.889 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.427 -4.502 2.303 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.112 -5.914 1.463 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.055 -4.783 0.586 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.053 -4.432 2.887 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.584 -4.698 1.191 1.00 0.58 H new ATOM 0 HD23 LEU A 294 2.980 -5.786 2.463 1.00 0.58 H new ATOM 1186 N LEU A 295 3.843 -9.169 -0.939 1.00 0.20 N ATOM 1187 CA LEU A 295 3.956 -10.210 -1.916 1.00 0.22 C ATOM 1188 C LEU A 295 5.027 -9.840 -2.938 1.00 0.28 C ATOM 1189 O LEU A 295 5.699 -8.815 -2.804 1.00 0.31 O ATOM 1190 CB LEU A 295 2.635 -10.323 -2.641 1.00 0.23 C ATOM 1191 CG LEU A 295 1.973 -11.691 -2.636 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.223 -11.866 -1.333 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.041 -11.840 -3.828 1.00 0.28 C ATOM 0 H LEU A 295 3.810 -8.237 -1.353 1.00 0.20 H new ATOM 0 HA LEU A 295 4.219 -11.148 -1.426 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.942 -9.607 -2.200 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.788 -10.022 -3.677 1.00 0.23 H new ATOM 0 HG LEU A 295 2.734 -12.467 -2.719 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.743 -12.845 -1.318 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.920 -11.791 -0.499 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.464 -11.089 -1.243 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.577 -12.826 -3.806 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.267 -11.074 -3.783 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.610 -11.727 -4.751 1.00 0.28 H new ATOM 1205 N ASP A 296 5.117 -10.626 -4.002 1.00 0.39 N ATOM 1206 CA ASP A 296 6.132 -10.427 -5.019 1.00 0.50 C ATOM 1207 C ASP A 296 5.533 -9.755 -6.249 1.00 0.73 C ATOM 1208 O ASP A 296 5.178 -10.416 -7.221 1.00 1.81 O ATOM 1209 CB ASP A 296 6.781 -11.760 -5.397 1.00 0.84 C ATOM 1210 CG ASP A 296 7.987 -11.587 -6.298 1.00 1.76 C ATOM 1211 OD1 ASP A 296 9.019 -11.075 -5.817 1.00 2.44 O ATOM 1212 OD2 ASP A 296 7.917 -11.990 -7.478 1.00 2.42 O ATOM 0 H ASP A 296 4.493 -11.412 -4.181 1.00 0.39 H new ATOM 0 HA ASP A 296 6.903 -9.773 -4.612 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.082 -12.283 -4.490 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.045 -12.389 -5.898 1.00 0.84 H new ATOM 1217 N GLN A 297 5.372 -8.436 -6.130 1.00 0.53 N ATOM 1218 CA GLN A 297 4.946 -7.531 -7.226 1.00 0.41 C ATOM 1219 C GLN A 297 3.954 -8.154 -8.199 1.00 0.64 C ATOM 1220 O GLN A 297 4.389 -8.720 -9.224 1.00 1.25 O ATOM 1221 CB GLN A 297 6.159 -6.973 -7.986 1.00 0.51 C ATOM 1222 CG GLN A 297 7.434 -7.786 -7.827 1.00 0.88 C ATOM 1223 CD GLN A 297 8.604 -7.187 -8.579 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.884 -7.544 -9.723 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.275 -6.242 -7.947 1.00 1.02 N ATOM 1226 OXT GLN A 297 2.743 -8.037 -7.946 1.00 1.41 O ATOM 0 H GLN A 297 5.536 -7.945 -5.251 1.00 0.53 H new ATOM 0 HA GLN A 297 4.417 -6.715 -6.734 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.911 -6.914 -9.046 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.348 -5.955 -7.645 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.685 -7.858 -6.769 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.260 -8.802 -8.183 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.010 -5.976 -6.999 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.058 -5.778 -8.407 1.00 1.02 H new